#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ksy n PRO 7 N 0.00 1.39 -2.01 3.23 -0.02 -1.26 -4.91 135.00 131.42 3ksy n PRO 7 Ca 0.00 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 3ksy n PRO 7 Cb 0.00 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.10 3ksy n PRO 7 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3ksy s TYR 8 N -1.35 3.12 0.79 6.00 5.04 -1.26 -4.97 117.35 124.72 3ksy s TYR 8 Ca 0.71 0.74 -0.13 0.00 -2.44 0.00 0.00 57.07 55.95 3ksy s TYR 8 Cb -0.44 -3.85 0.07 0.00 0.35 0.00 0.00 41.96 38.09 3ksy s TYR 8 CO 0.50 -3.07 1.19 -1.21 -1.34 0.00 0.00 175.55 171.62 3ksy s GLU 9 N 1.11 1.76 -0.02 4.97 2.02 -1.26 -4.96 118.70 122.31 3ksy s GLU 9 Ca 0.68 1.70 0.19 0.00 0.02 0.00 0.00 54.97 57.56 3ksy s GLU 9 Cb -0.41 -1.80 -0.21 0.00 0.10 0.00 0.00 34.13 31.81 3ksy s GLU 9 CO 0.31 -2.11 0.55 1.19 0.02 0.00 0.00 175.26 175.22 3ksy n PHE 10 N -3.23 0.44 0.24 1.61 3.01 -1.26 -4.57 117.46 113.70 3ksy n PHE 10 Ca 0.13 0.14 -0.16 0.00 1.01 0.00 0.00 57.45 58.57 3ksy n PHE 10 Cb 0.51 -0.88 -0.08 0.00 -0.01 0.00 0.00 39.48 39.01 3ksy n PHE 10 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 3ksy h PHE 11 N 0.00 -1.17 -2.99 1.38 3.57 -1.93 -3.47 116.94 112.32 3ksy h PHE 11 Ca -0.20 0.01 -0.63 0.00 3.53 0.00 0.00 57.97 60.68 3ksy h PHE 11 Cb 1.53 0.46 -0.06 0.00 2.79 0.00 0.00 35.95 40.68 3ksy h PHE 11 CO 0.00 -0.58 -0.53 0.45 -2.23 0.00 0.00 178.31 175.42 3ksy s SER 12 N -4.52 6.09 0.49 0.41 0.15 -0.55 -4.55 113.70 111.21 3ksy s SER 12 Ca -0.17 0.19 0.20 0.00 0.70 0.00 0.00 55.95 56.86 3ksy s SER 12 Cb 0.05 -1.81 1.24 0.00 -1.71 0.00 0.00 66.02 63.79 3ksy s SER 12 CO 0.62 0.18 2.00 -0.33 1.20 0.00 0.00 173.24 176.91 3ksy h GLU 13 N 3.21 0.16 0.00 5.44 5.08 -1.91 -2.19 114.58 124.37 3ksy h GLU 13 Ca -0.46 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3ksy h GLU 13 Cb 1.16 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3ksy h GLU 13 CO 0.72 0.11 -0.24 1.49 -1.00 0.00 0.00 179.01 180.09 3ksy h GLU 14 N 0.16 0.00 -4.62 2.33 4.81 -1.97 -3.44 114.58 111.85 3ksy h GLU 14 Ca 0.24 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.79 3ksy h GLU 14 Cb 0.73 0.00 -0.37 0.00 0.63 0.00 0.00 28.75 29.74 3ksy h GLU 14 CO -0.04 0.00 -0.65 -0.80 -0.73 0.00 0.00 179.01 176.80 3ksy s ASN 15 N -5.38 4.98 -0.25 1.04 0.01 -1.11 -4.96 114.94 109.26 3ksy s ASN 15 Ca -0.07 -1.97 -0.13 0.00 -0.71 0.00 0.00 52.86 49.98 3ksy s ASN 15 Cb 0.01 -1.72 -0.15 0.00 0.41 0.00 0.00 41.25 39.80 3ksy s ASN 15 CO 0.10 -0.43 -0.17 0.00 -1.51 0.00 0.00 177.10 175.09 3ksy n ALA 16 N 4.45 1.12 0.86 0.60 0.00 -0.84 -1.48 120.51 125.21 3ksy n ALA 16 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.49 3ksy n ALA 16 Cb 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.77 3ksy n ALA 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ksy n PRO 17 N -4.12 0.86 0.00 0.00 -0.04 -1.26 -2.66 135.00 127.78 3ksy n PRO 17 Ca -0.47 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 62.99 3ksy n PRO 17 Cb 0.86 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.20 3ksy n PRO 17 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3ksy n LYS 18 N 0.49 -0.00 0.00 0.54 5.02 -1.26 -4.70 118.16 118.25 3ksy n LYS 18 Ca 0.00 -0.39 0.00 0.00 -2.02 0.00 0.00 58.31 55.90 3ksy n LYS 18 Cb 0.40 -0.89 0.00 0.00 -0.02 0.00 0.00 35.03 34.52 3ksy n LYS 18 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3ksy n TRP 19 N -0.11 0.00 -0.08 2.13 7.02 -1.09 -4.78 117.44 120.54 3ksy n TRP 19 Ca 0.00 -0.19 0.00 0.00 -1.02 0.00 0.00 57.50 56.29 3ksy n TRP 19 Cb 0.02 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 3ksy n TRP 19 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 3ksy n ARG 20 N -0.19 3.47 -0.68 -0.99 1.74 -1.25 -4.77 116.66 113.99 3ksy n ARG 20 Ca 0.00 -0.08 0.01 0.00 -0.77 0.00 0.00 57.85 57.01 3ksy n ARG 20 Cb 0.39 -0.45 0.20 0.00 -1.02 0.00 0.00 32.46 31.58 3ksy n ARG 20 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ksy n GLY 21 N 0.52 5.00 0.00 -0.13 0.00 -1.26 -4.53 105.19 104.79 3ksy n GLY 21 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3ksy n GLY 21 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3ksy n LEU 22 N -1.12 0.01 -0.08 0.99 -0.00 -1.26 -4.90 117.00 110.64 3ksy n LEU 22 Ca 0.26 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 56.14 3ksy n LEU 22 Cb 0.86 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 44.20 3ksy n LEU 22 CO 0.08 0.00 -0.25 -0.07 -0.00 0.00 0.00 177.39 177.15 3ksy h LEU 23 N 0.00 0.00 -0.69 1.47 3.38 -1.86 -3.32 115.31 114.28 3ksy h LEU 23 Ca 0.00 -0.38 0.13 0.00 0.09 0.00 0.00 57.88 57.72 3ksy h LEU 23 Cb 0.24 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.85 3ksy h LEU 23 CO 0.00 1.07 -0.27 0.58 0.09 0.00 0.00 178.44 179.91 3ksy h VAL 24 N -1.00 0.20 0.00 1.22 2.07 -1.82 0.24 116.25 117.16 3ksy h VAL 24 Ca -0.15 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 3ksy h VAL 24 Cb 0.86 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3ksy h VAL 24 CO -0.09 0.00 -0.26 -0.65 0.02 0.00 0.00 177.57 176.59 3ksy h PRO 25 N -0.07 0.00 0.17 1.57 0.11 -1.91 -3.09 132.00 128.78 3ksy h PRO 25 Ca 0.30 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 66.06 3ksy h PRO 25 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3ksy h PRO 25 CO -0.74 0.26 -1.79 0.00 -0.21 0.00 0.00 178.00 175.51 3ksy h ALA 26 N 1.74 0.22 -0.10 -0.75 0.00 -1.17 -3.35 119.26 115.84 3ksy h ALA 26 Ca -0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 54.91 53.69 3ksy h ALA 26 Cb 0.47 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3ksy h ALA 26 CO 0.03 1.08 -0.03 -0.07 0.00 0.00 0.00 179.25 180.26 3ksy h LEU 27 N 0.08 0.12 -2.18 0.00 3.38 -0.62 -1.72 115.31 114.37 3ksy h LEU 27 Ca -0.36 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.63 3ksy h LEU 27 Cb 2.07 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.78 3ksy h LEU 27 CO 0.15 0.18 0.11 0.50 0.09 0.00 0.00 178.44 179.48 3ksy h LYS 28 N 0.14 0.00 0.06 1.13 3.64 -1.67 -0.52 116.57 119.35 3ksy h LYS 28 Ca 0.03 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.17 3ksy h LYS 28 Cb 0.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3ksy h LYS 28 CO 0.01 0.00 -1.13 0.87 -2.27 0.00 0.00 179.45 176.93 3ksy h LYS 29 N 0.00 0.14 -0.47 1.90 1.79 -1.50 -3.27 116.57 115.15 3ksy h LYS 29 Ca 0.06 -0.23 -0.07 0.00 -2.18 0.00 0.00 60.65 58.23 3ksy h LYS 29 Cb 0.29 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 3ksy h LYS 29 CO -0.00 1.11 -0.02 0.28 -1.08 0.00 0.00 179.45 179.74 3ksy h VAL 30 N 0.04 1.24 -0.31 0.50 2.07 -1.09 -2.67 116.25 116.03 3ksy h VAL 30 Ca -0.07 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 3ksy h VAL 30 Cb 1.87 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 3ksy h VAL 30 CO 0.17 0.36 0.00 -0.61 0.02 0.00 0.00 177.57 177.50 3ksy h GLN 31 N 0.73 0.47 0.00 1.57 4.15 -1.48 -1.39 115.11 119.15 3ksy h GLN 31 Ca 0.14 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3ksy h GLN 31 Cb 0.47 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.08 3ksy h GLN 31 CO 0.02 0.50 0.00 0.41 -1.93 0.00 0.00 178.83 177.83 3ksy n GLY 32 N -0.94 -1.45 0.11 2.39 0.00 -1.03 -1.02 105.19 103.25 3ksy n GLY 32 Ca 0.01 -0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 3ksy n GLY 32 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3ksy h GLN 33 N 0.00 0.24 0.00 1.61 1.08 -1.02 -3.30 115.11 113.72 3ksy h GLN 33 Ca 0.00 -0.41 -0.21 0.00 -1.45 0.00 0.00 58.65 56.58 3ksy h GLN 33 Cb 0.51 0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 28.06 3ksy h GLN 33 CO 0.00 1.10 -1.21 0.28 -0.95 0.00 0.00 178.83 178.05 3ksy n VAL 34 N -3.44 1.52 -3.79 -0.54 0.31 -1.05 -4.77 118.33 106.55 3ksy n VAL 34 Ca -0.17 -0.01 -0.29 0.00 -0.01 0.00 0.00 64.34 63.87 3ksy n VAL 34 Cb 1.04 -2.09 -0.13 0.00 -0.91 0.00 0.00 33.84 31.76 3ksy n VAL 34 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3ksy s HIS 35 N -2.35 2.72 -2.00 3.52 3.76 -0.19 -4.93 115.29 115.81 3ksy s HIS 35 Ca -0.27 -2.92 0.04 0.00 -0.15 0.00 0.00 55.06 51.76 3ksy s HIS 35 Cb 0.06 -2.28 0.25 0.00 1.11 0.00 0.00 32.58 31.71 3ksy s HIS 35 CO 0.53 -0.69 0.67 -2.30 -0.85 0.00 0.00 174.74 172.10 3ksy n PRO 36 N 2.78 0.43 0.00 8.40 -0.02 -1.24 -2.38 135.00 142.97 3ksy n PRO 36 Ca 0.14 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.68 3ksy n PRO 36 Cb 0.36 -1.15 0.01 0.00 -0.02 0.00 0.00 33.50 32.70 3ksy n PRO 36 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3ksy n THR 37 N -0.65 0.00 -4.34 3.45 5.66 -1.26 -4.99 114.28 112.14 3ksy n THR 37 Ca 0.03 -0.42 -0.32 0.00 -3.05 0.00 0.00 64.05 60.29 3ksy n THR 37 Cb 0.01 1.16 -0.09 0.00 -1.55 0.00 0.00 70.33 69.86 3ksy n THR 37 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3ksy s LEU 38 N -1.44 3.32 0.41 1.09 1.43 -1.00 -4.87 118.68 117.62 3ksy s LEU 38 Ca 0.10 -0.11 -0.17 0.00 -1.03 0.00 0.00 54.13 52.92 3ksy s LEU 38 Cb 0.09 -1.93 -0.09 0.00 0.03 0.00 0.00 46.19 44.28 3ksy s LEU 38 CO 0.23 0.26 0.86 -1.61 0.23 0.00 0.00 176.35 176.33 3ksy s GLU 39 N -1.62 4.03 0.11 1.70 0.41 -0.98 -4.92 118.70 117.44 3ksy s GLU 39 Ca 0.19 0.85 -0.12 0.00 -0.41 0.00 0.00 54.97 55.48 3ksy s GLU 39 Cb -0.11 -2.28 -0.06 0.00 -1.78 0.00 0.00 34.13 29.89 3ksy s GLU 39 CO 0.10 -0.03 0.48 -1.12 -0.49 0.00 0.00 175.26 174.20 3ksy s SER 40 N -2.55 6.74 -0.18 -0.19 0.01 -1.26 -3.50 113.70 112.77 3ksy s SER 40 Ca 0.57 0.95 -0.03 0.00 1.31 0.00 0.00 55.95 58.75 3ksy s SER 40 Cb -0.10 -2.24 0.06 0.00 0.21 0.00 0.00 66.02 63.95 3ksy s SER 40 CO 0.21 0.14 0.03 0.21 0.41 0.00 0.00 173.24 174.24 3ksy s ASN 41 N -1.72 2.77 0.38 2.44 2.47 -1.26 -4.99 114.94 115.03 3ksy s ASN 41 Ca 0.35 -0.74 0.17 0.00 0.42 0.00 0.00 52.86 53.07 3ksy s ASN 41 Cb -0.15 -0.60 1.09 0.00 -1.45 0.00 0.00 41.25 40.15 3ksy s ASN 41 CO 0.18 -0.29 1.73 0.44 -3.72 0.00 0.00 177.10 175.45 3ksy h ASP 42 N 8.24 0.48 -0.63 -4.21 3.32 -1.98 0.31 116.42 121.97 3ksy h ASP 42 Ca -0.17 0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.00 3ksy h ASP 42 Cb 1.12 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 3ksy h ASP 42 CO 0.33 0.04 0.42 -0.78 -1.72 0.00 0.00 179.24 177.52 3ksy h ASP 43 N 0.39 0.72 -0.36 6.45 3.58 -1.97 -0.48 116.42 124.77 3ksy h ASP 43 Ca 0.65 -0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.92 3ksy h ASP 43 Cb 1.58 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.45 3ksy h ASP 43 CO -0.38 0.53 -0.37 0.00 -2.88 0.00 0.00 179.24 176.13 3ksy h ALA 44 N 1.23 0.53 0.00 -0.78 0.00 -0.77 -3.06 119.26 116.41 3ksy h ALA 44 Ca 0.23 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3ksy h ALA 44 Cb -0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3ksy h ALA 44 CO -0.05 0.62 -0.23 -0.07 0.00 0.00 0.00 179.25 179.52 3ksy h LEU 45 N 0.69 0.00 -0.17 0.00 -0.00 -0.89 -1.75 115.31 113.19 3ksy h LEU 45 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 3ksy h LEU 45 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.63 3ksy h LEU 45 CO 0.09 0.23 0.00 0.00 -0.00 0.00 0.00 178.44 178.76 3ksy n GLN 46 N -3.74 0.22 -0.02 1.13 6.02 -0.21 -2.68 117.38 118.10 3ksy n GLN 46 Ca -0.01 0.25 -0.14 0.00 -0.01 0.00 0.00 57.00 57.08 3ksy n GLN 46 Cb 0.34 -1.79 -0.14 0.00 1.02 0.00 0.00 30.24 29.67 3ksy n GLN 46 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3ksy n TYR 47 N -2.17 0.99 -0.18 1.08 9.36 -0.70 -3.98 117.16 121.56 3ksy n TYR 47 Ca 0.05 0.29 -0.10 0.00 3.32 0.00 0.00 57.90 61.45 3ksy n TYR 47 Cb 0.37 -1.16 0.01 0.00 -0.63 0.00 0.00 39.34 37.93 3ksy n TYR 47 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3ksy h VAL 48 N 0.03 1.27 -0.02 2.97 2.07 -1.41 -2.87 116.25 118.29 3ksy h VAL 48 Ca -0.37 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 65.93 3ksy h VAL 48 Cb 2.03 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 32.80 3ksy h VAL 48 CO 0.07 0.42 -0.06 1.05 0.02 0.00 0.00 177.57 179.08 3ksy h GLU 49 N 0.82 0.03 0.00 1.57 4.11 -1.68 -0.09 114.58 119.33 3ksy h GLU 49 Ca 0.14 -0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.47 3ksy h GLU 49 Cb 0.63 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3ksy h GLU 49 CO 0.04 0.10 -0.44 0.93 0.07 0.00 0.00 179.01 179.71 3ksy h GLU 50 N 0.03 0.00 0.05 1.06 5.08 -1.64 -1.57 114.58 117.59 3ksy h GLU 50 Ca 0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 3ksy h GLU 50 Cb 0.13 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.39 3ksy h GLU 50 CO 0.01 0.44 -0.34 -0.07 -1.00 0.00 0.00 179.01 178.05 3ksy h LEU 51 N 0.00 0.22 -1.41 1.33 3.38 -0.95 -2.79 115.31 115.09 3ksy h LEU 51 Ca -0.00 -0.93 -0.01 0.00 0.09 0.00 0.00 57.88 57.03 3ksy h LEU 51 Cb 0.98 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3ksy h LEU 51 CO 0.06 1.13 0.25 0.40 0.09 0.00 0.00 178.44 180.36 3ksy h ILE 52 N -0.66 1.15 -0.39 1.22 1.08 -1.11 -1.40 117.51 117.40 3ksy h ILE 52 Ca -0.06 -0.39 -0.12 0.00 -0.39 0.00 0.00 64.86 63.90 3ksy h ILE 52 Cb 1.22 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.48 3ksy h ILE 52 CO 0.06 0.17 -0.25 0.25 -0.69 0.00 0.00 178.15 177.69 3ksy h LEU 53 N 0.66 0.83 -1.45 1.44 5.85 -1.38 -2.39 115.31 118.86 3ksy h LEU 53 Ca 0.17 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 3ksy h LEU 53 Cb 0.03 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3ksy h LEU 53 CO -0.03 1.04 0.25 -0.61 -0.34 0.00 0.00 178.44 178.75 3ksy h GLN 54 N 0.70 0.61 -0.12 1.25 5.75 -0.98 -2.26 115.11 120.06 3ksy h GLN 54 Ca 0.09 -0.06 -0.19 0.00 -0.15 0.00 0.00 58.65 58.34 3ksy h GLN 54 Cb 0.78 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 29.20 3ksy h GLN 54 CO 0.06 0.45 -0.72 1.25 -2.65 0.00 0.00 178.83 177.23 3ksy h LEU 55 N 0.62 0.64 -1.98 -2.39 5.85 -1.20 -3.17 115.31 113.68 3ksy h LEU 55 Ca 0.16 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 3ksy h LEU 55 Cb 0.02 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 3ksy h LEU 55 CO -0.03 1.17 -0.10 0.25 -0.34 0.00 0.00 178.44 179.39 3ksy h LEU 56 N 0.38 0.00 0.06 2.25 5.85 -0.89 -2.72 115.31 120.23 3ksy h LEU 56 Ca -0.03 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3ksy h LEU 56 Cb 1.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.34 3ksy h LEU 56 CO 0.13 0.10 -0.03 -1.13 -0.34 0.00 0.00 178.44 177.18 3ksy h ASN 57 N 0.00 -0.06 0.48 1.25 -1.24 -1.48 -3.08 115.58 111.44 3ksy h ASN 57 Ca -0.00 -0.58 -0.03 0.00 0.71 0.00 0.00 56.30 56.40 3ksy h ASN 57 Cb 0.24 0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.30 3ksy h ASN 57 CO 0.01 0.62 -0.16 0.00 -1.29 0.00 0.00 177.43 176.61 3ksy h MET 58 N -0.82 0.00 -0.03 6.67 -0.00 -1.59 -2.00 114.93 117.16 3ksy h MET 58 Ca -0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.51 3ksy h MET 58 Cb 0.64 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.23 3ksy h MET 58 CO 0.01 0.16 -0.78 -0.07 -0.00 0.00 0.00 176.91 176.23 3ksy h LEU 59 N 0.00 0.32 -0.08 -0.10 3.38 -1.57 -3.06 115.31 114.20 3ksy h LEU 59 Ca -0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3ksy h LEU 59 Cb 0.44 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3ksy h LEU 59 CO 0.02 0.98 -0.23 0.00 0.09 0.00 0.00 178.44 179.31 3ksy h GLN 61 N 0.20 0.79 0.00 0.00 4.15 -1.27 -1.70 115.11 117.28 3ksy h GLN 61 Ca 0.00 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 59.18 3ksy h GLN 61 Cb 0.46 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.08 3ksy h GLN 61 CO 0.00 0.84 0.00 0.00 -1.93 0.00 0.00 178.83 177.74 3ksy h ALA 62 N 1.20 1.00 -5.75 3.38 0.00 -1.70 -3.47 119.26 113.91 3ksy h ALA 62 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.76 3ksy h ALA 62 Cb 0.54 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.45 3ksy h ALA 62 CO 0.03 0.00 -0.76 1.04 0.00 0.00 0.00 179.25 179.56 3ksy n GLN 63 N -2.48 -1.72 -2.53 0.00 6.02 -0.64 -4.97 117.38 111.06 3ksy n GLN 63 Ca 0.01 0.83 -0.40 0.00 -0.01 0.00 0.00 57.00 57.42 3ksy n GLN 63 Cb 0.21 -5.10 -0.05 0.00 1.02 0.00 0.00 30.24 26.32 3ksy n GLN 63 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 3ksy s PRO 64 N -4.72 4.67 -0.01 -1.09 0.02 -1.26 -4.96 135.00 127.66 3ksy s PRO 64 Ca 0.37 1.74 0.15 0.00 0.02 0.00 0.00 61.00 63.28 3ksy s PRO 64 Cb -0.08 -3.22 -0.18 0.00 0.02 0.00 0.00 34.50 31.03 3ksy s PRO 64 CO 0.79 0.25 0.51 0.54 -0.33 0.00 0.00 177.00 178.76 3ksy n ARG 65 N 1.40 1.60 -4.34 5.54 1.74 -1.26 -4.96 116.66 116.38 3ksy n ARG 65 Ca -0.01 -0.05 -0.18 0.00 -0.77 0.00 0.00 57.85 56.85 3ksy n ARG 65 Cb 0.45 -1.24 -0.10 0.00 -1.02 0.00 0.00 32.46 30.55 3ksy n ARG 65 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3ksy s SER 66 N -2.84 1.61 0.00 0.55 1.04 -1.26 -4.65 113.70 108.15 3ksy s SER 66 Ca 0.02 -1.33 0.17 0.00 0.48 0.00 0.00 55.95 55.29 3ksy s SER 66 Cb 0.10 0.07 0.75 0.00 0.10 0.00 0.00 66.02 67.05 3ksy s SER 66 CO 0.60 -0.64 1.54 0.00 0.98 0.00 0.00 173.24 175.72 3ksy n ALA 67 N -0.49 1.81 -0.03 5.32 0.00 -1.26 -2.53 120.51 123.33 3ksy n ALA 67 Ca -0.02 -0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.30 3ksy n ALA 67 Cb 0.66 -1.28 -0.13 0.00 0.00 0.00 0.00 19.45 18.70 3ksy n ALA 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ksy n SER 68 N -1.46 0.56 0.20 0.00 2.88 -1.26 -3.87 113.62 110.67 3ksy n SER 68 Ca 0.05 0.26 0.10 0.00 -1.33 0.00 0.00 58.87 57.94 3ksy n SER 68 Cb 0.19 0.44 0.24 0.00 -0.75 0.00 0.00 64.21 64.33 3ksy n SER 68 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3ksy h ASP 69 N 0.00 0.00 0.12 -3.46 3.32 -1.90 -3.20 116.42 111.30 3ksy h ASP 69 Ca -0.31 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.49 3ksy h ASP 69 Cb 1.91 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.47 3ksy h ASP 69 CO 0.05 0.19 -0.99 0.58 -1.72 0.00 0.00 179.24 177.35 3ksy h VAL 70 N 0.00 1.32 -0.64 -1.35 2.07 -1.68 -3.20 116.25 112.77 3ksy h VAL 70 Ca -0.00 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.22 3ksy h VAL 70 Cb 1.01 2.37 -0.03 0.00 -1.52 0.00 0.00 31.29 33.11 3ksy h VAL 70 CO 0.02 0.70 0.40 -0.08 0.02 0.00 0.00 177.57 178.64 3ksy h GLU 71 N 0.35 0.85 -0.18 1.57 4.81 -1.66 -2.41 114.58 117.90 3ksy h GLU 71 Ca -0.11 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 3ksy h GLU 71 Cb 1.64 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 3ksy h GLU 71 CO 0.19 0.58 0.09 0.93 -0.73 0.00 0.00 179.01 180.07 3ksy h GLU 72 N 0.87 0.27 0.00 1.92 5.08 -1.58 -2.06 114.58 119.07 3ksy h GLU 72 Ca 0.23 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3ksy h GLU 72 Cb -0.06 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3ksy h GLU 72 CO -0.05 0.30 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.11 3ksy h ARG 73 N 0.17 0.00 0.02 2.33 9.65 -1.46 -2.77 114.38 122.31 3ksy h ARG 73 Ca 0.06 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.81 3ksy h ARG 73 Cb 0.12 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.72 3ksy h ARG 73 CO -0.01 0.06 -0.54 0.28 2.80 0.00 0.00 179.97 182.56 3ksy h VAL 74 N 0.00 1.47 0.00 0.20 2.07 -1.01 -2.62 116.25 116.36 3ksy h VAL 74 Ca -0.00 -2.12 -0.03 0.00 0.82 0.00 0.00 66.70 65.37 3ksy h VAL 74 Cb 0.13 2.73 -0.00 0.00 -1.52 0.00 0.00 31.29 32.62 3ksy h VAL 74 CO 0.01 0.60 -0.14 1.56 0.02 0.00 0.00 177.57 179.62 3ksy h GLN 75 N -0.24 0.00 0.00 1.57 4.20 -1.17 -1.91 115.11 117.56 3ksy h GLN 75 Ca -0.07 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.51 3ksy h GLN 75 Cb 1.29 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.05 3ksy h GLN 75 CO 0.11 0.14 -0.76 0.87 -0.67 0.00 0.00 178.83 178.51 3ksy h LYS 76 N 0.00 0.00 0.28 1.46 1.57 -1.56 -3.42 116.57 114.91 3ksy h LYS 76 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3ksy h LYS 76 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3ksy h LYS 76 CO 0.02 0.76 -0.13 0.66 -0.57 0.00 0.00 179.45 180.19 3ksy h SER 77 N -1.00 -0.32 -2.66 0.86 4.64 -1.51 -3.44 113.55 110.12 3ksy h SER 77 Ca -0.19 -0.20 -0.53 0.00 -0.47 0.00 0.00 61.79 60.41 3ksy h SER 77 Cb 1.01 0.08 0.04 0.00 -0.31 0.00 0.00 62.40 63.22 3ksy h SER 77 CO -0.11 0.16 1.01 -0.36 -0.87 0.00 0.00 176.83 176.66 3ksy s PHE 78 N -3.65 2.51 0.92 4.77 0.40 -0.72 -4.98 117.98 117.22 3ksy s PHE 78 Ca -0.12 0.27 -0.15 0.00 -0.60 0.00 0.00 56.93 56.33 3ksy s PHE 78 Cb 0.01 -4.05 0.23 0.00 0.51 0.00 0.00 43.02 39.73 3ksy s PHE 78 CO 0.41 -4.16 0.63 -2.30 0.70 0.00 0.00 175.22 170.50 3ksy n PRO 79 N 5.13 -3.38 -4.20 0.24 -0.02 -1.26 -4.51 135.00 127.00 3ksy n PRO 79 Ca 0.16 -1.03 -0.31 0.00 -2.02 0.00 0.00 63.50 60.30 3ksy n PRO 79 Cb 0.39 -1.19 -0.09 0.00 -0.02 0.00 0.00 33.50 32.59 3ksy n PRO 79 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3ksy s HIS 80 N -1.94 2.97 -1.86 6.00 2.46 -1.26 -1.27 115.29 120.40 3ksy s HIS 80 Ca 0.45 -0.02 0.13 0.00 0.47 0.00 0.00 55.06 56.10 3ksy s HIS 80 Cb -0.07 -1.56 0.40 0.00 -0.13 0.00 0.00 32.58 31.23 3ksy s HIS 80 CO 0.37 0.46 1.32 -2.30 -2.47 0.00 0.00 174.74 172.12 3ksy n PRO 81 N 0.85 2.16 0.25 2.88 -0.02 -1.26 -4.90 135.00 134.96 3ksy n PRO 81 Ca -0.12 -1.63 0.17 0.00 -2.02 0.00 0.00 63.50 59.90 3ksy n PRO 81 Cb 0.52 -1.41 0.90 0.00 -0.02 0.00 0.00 33.50 33.49 3ksy n PRO 81 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3ksy h ILE 82 N 2.58 0.37 0.00 4.25 6.09 -1.91 0.81 117.51 129.70 3ksy h ILE 82 Ca 0.00 0.00 -0.08 0.00 -1.37 0.00 0.00 64.86 63.41 3ksy h ILE 82 Cb 0.67 0.87 -0.01 0.00 0.47 0.00 0.00 36.82 38.82 3ksy h ILE 82 CO 0.03 0.00 -0.38 -2.24 -3.07 0.00 0.00 178.15 172.49 3ksy h ASP 83 N 0.00 0.00 0.68 2.19 2.03 -1.41 -2.68 116.42 117.22 3ksy h ASP 83 Ca 0.05 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 56.09 3ksy h ASP 83 Cb 0.36 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.84 3ksy h ASP 83 CO -0.00 0.38 -1.35 0.50 -1.03 0.00 0.00 179.24 177.74 3ksy h LYS 84 N 0.00 0.10 0.00 4.15 3.64 -1.11 -3.11 116.57 120.24 3ksy h LYS 84 Ca -0.00 -0.17 -0.19 0.00 -1.27 0.00 0.00 60.65 59.01 3ksy h LYS 84 Cb 1.22 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.08 3ksy h LYS 84 CO 0.05 0.94 -1.01 -1.49 -2.27 0.00 0.00 179.45 175.67 3ksy h TRP 85 N 0.03 0.00 -0.10 1.91 4.06 -1.57 -3.25 115.95 117.03 3ksy h TRP 85 Ca -0.16 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.76 3ksy h TRP 85 Cb 1.92 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 30.08 3ksy h TRP 85 CO 0.03 0.85 -0.08 0.00 -3.56 0.00 0.00 178.44 175.68 3ksy h ALA 86 N 1.15 0.14 0.00 1.49 0.00 -1.57 -2.87 119.26 117.60 3ksy h ALA 86 Ca -0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3ksy h ALA 86 Cb 1.70 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 3ksy h ALA 86 CO 0.10 -0.05 -0.07 -0.84 0.00 0.00 0.00 179.25 178.40 3ksy h ILE 87 N -0.16 0.38 0.00 0.00 3.07 -1.67 -1.28 117.51 117.85 3ksy h ILE 87 Ca 0.02 -0.38 -0.14 0.00 1.55 0.00 0.00 64.86 65.91 3ksy h ILE 87 Cb 0.57 1.27 -0.02 0.00 -0.27 0.00 0.00 36.82 38.37 3ksy h ILE 87 CO 0.02 0.07 -0.65 0.00 -1.05 0.00 0.00 178.15 176.54 3ksy h ALA 88 N 1.93 0.67 0.07 0.16 0.00 -1.56 -2.65 119.26 117.88 3ksy h ALA 88 Ca -0.00 -0.59 -0.16 0.00 0.00 0.00 0.00 54.91 54.16 3ksy h ALA 88 Cb 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ksy h ALA 88 CO 0.01 0.81 -0.77 0.22 0.00 0.00 0.00 179.25 179.52 3ksy h ASP 89 N 0.00 0.23 -0.75 0.00 3.58 -1.06 -3.18 116.42 115.24 3ksy h ASP 89 Ca -0.01 -0.88 0.00 0.00 0.42 0.00 0.00 57.03 56.57 3ksy h ASP 89 Cb 1.37 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 42.31 3ksy h ASP 89 CO 0.08 1.34 0.48 0.00 -2.88 0.00 0.00 179.24 178.27 3ksy h ALA 90 N -0.06 1.44 -0.47 -0.78 0.00 -1.38 -1.23 119.26 116.78 3ksy h ALA 90 Ca -0.17 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3ksy h ALA 90 Cb 1.42 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3ksy h ALA 90 CO 0.03 0.51 0.14 0.37 0.00 0.00 0.00 179.25 180.29 3ksy h GLN 91 N 1.02 0.69 0.00 0.00 4.15 -1.60 -1.64 115.11 117.74 3ksy h GLN 91 Ca 0.27 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 3ksy h GLN 91 Cb -0.10 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.48 3ksy h GLN 91 CO -0.06 0.61 -0.01 1.03 -1.93 0.00 0.00 178.83 178.48 3ksy h SER 92 N 0.68 0.00 0.86 -0.69 0.87 -1.20 -0.37 113.55 113.71 3ksy h SER 92 Ca 0.16 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.52 3ksy h SER 92 Cb 0.22 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 3ksy h SER 92 CO -0.01 0.01 -0.95 0.00 -0.53 0.00 0.00 176.83 175.36 3ksy h ALA 93 N 1.99 0.45 0.09 6.23 0.00 -1.21 -3.28 119.26 123.53 3ksy h ALA 93 Ca -0.00 -0.83 -0.29 0.00 0.00 0.00 0.00 54.91 53.79 3ksy h ALA 93 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ksy h ALA 93 CO 0.00 1.11 -1.44 0.82 0.00 0.00 0.00 179.25 179.74 3ksy h ILE 94 N 0.02 1.24 0.00 0.00 2.04 -1.11 -3.26 117.51 116.45 3ksy h ILE 94 Ca -0.02 -2.91 0.00 0.00 1.00 0.00 0.00 64.86 62.93 3ksy h ILE 94 Cb 1.65 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 40.49 3ksy h ILE 94 CO 0.13 0.82 0.00 -0.62 0.00 0.00 0.00 178.15 178.48 3ksy n GLU 95 N -3.41 0.05 -1.39 2.37 -0.58 -0.30 -4.82 120.64 112.55 3ksy n GLU 95 Ca -0.13 0.42 -0.13 0.00 -0.42 0.00 0.00 57.16 56.89 3ksy n GLU 95 Cb 1.03 -1.61 -0.06 0.00 -0.57 0.00 0.00 31.44 30.23 3ksy n GLU 95 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ksy n LYS 96 N -1.70 -1.52 -1.38 3.49 5.02 -1.23 -4.96 118.16 115.87 3ksy n LYS 96 Ca 0.01 0.97 -0.31 0.00 -2.02 0.00 0.00 58.31 56.95 3ksy n LYS 96 Cb 0.10 -5.32 0.08 0.00 -0.02 0.00 0.00 35.03 29.87 3ksy n LYS 96 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3ksy s ARG 97 N -3.10 2.40 0.24 1.97 1.70 -1.24 -4.94 118.95 115.99 3ksy s ARG 97 Ca 0.00 1.21 -0.31 0.00 -0.47 0.00 0.00 55.73 56.16 3ksy s ARG 97 Cb 0.00 -1.91 -0.12 0.00 -0.57 0.00 0.00 34.95 32.34 3ksy s ARG 97 CO 0.00 -1.53 1.58 0.36 -1.08 0.00 0.00 175.30 174.62 3ksy n LYS 98 N -3.26 2.48 -4.00 3.89 2.85 -1.26 -4.94 118.16 113.93 3ksy n LYS 98 Ca 0.09 0.89 -0.09 0.00 -1.05 0.00 0.00 58.31 58.15 3ksy n LYS 98 Cb 0.53 -2.65 -0.10 0.00 -0.65 0.00 0.00 35.03 32.15 3ksy n LYS 98 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 3ksy s ARG 99 N 0.09 0.43 0.23 -1.58 3.52 -1.26 -5.05 118.95 115.33 3ksy s ARG 99 Ca 0.70 -0.78 -0.13 0.00 -0.13 0.00 0.00 55.73 55.39 3ksy s ARG 99 Cb -0.56 0.16 0.29 0.00 -1.56 0.00 0.00 34.95 33.28 3ksy s ARG 99 CO 0.44 -0.08 1.60 0.00 -0.81 0.00 0.00 175.30 176.44 3ksy h ARG 100 N 4.12 -0.02 -2.01 5.12 3.08 -2.04 -3.44 114.38 119.20 3ksy h ARG 100 Ca -0.33 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.76 3ksy h ARG 100 Cb 1.19 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.05 3ksy h ARG 100 CO 0.49 -0.01 0.38 0.54 -1.07 0.00 0.00 179.97 180.30 3ksy s ASN 101 N -5.24 -0.48 1.18 7.04 4.22 -1.26 -5.17 114.94 115.22 3ksy s ASN 101 Ca -0.14 0.38 -0.15 0.00 -2.14 0.00 0.00 52.86 50.81 3ksy s ASN 101 Cb 0.21 0.43 0.24 0.00 1.28 0.00 0.00 41.25 43.42 3ksy s ASN 101 CO 0.74 -0.56 0.71 -2.65 -2.04 0.00 0.00 177.10 173.31 3ksy n PRO 102 N 0.47 -2.33 -1.46 3.55 -0.02 -1.26 -4.76 135.00 129.19 3ksy n PRO 102 Ca -0.13 -0.66 -0.51 0.00 -2.02 0.00 0.00 63.50 60.18 3ksy n PRO 102 Cb 0.59 -2.02 -0.07 0.00 -0.02 0.00 0.00 33.50 31.98 3ksy n PRO 102 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3ksy n LEU 103 N -4.04 2.15 -0.30 2.45 4.77 -1.26 -4.81 117.00 115.96 3ksy n LEU 103 Ca 0.02 0.45 0.08 0.00 -0.03 0.00 0.00 56.01 56.53 3ksy n LEU 103 Cb 0.56 -1.26 0.23 0.00 -2.33 0.00 0.00 43.42 40.63 3ksy n LEU 103 CO 0.56 -0.70 1.09 0.28 -1.33 0.00 0.00 177.39 177.29 3ksy h SER 104 N 12.07 0.49 -3.02 -1.43 0.02 -1.95 -3.40 113.55 116.32 3ksy h SER 104 Ca -0.28 0.10 -0.53 0.00 -0.84 0.00 0.00 61.79 60.24 3ksy h SER 104 Cb 1.32 0.03 0.03 0.00 0.14 0.00 0.00 62.40 63.92 3ksy h SER 104 CO 1.02 0.18 0.73 -0.76 -1.14 0.00 0.00 176.83 176.86 3ksy s LEU 105 N -10.38 4.37 -0.53 5.07 1.43 -1.26 -4.86 118.68 112.52 3ksy s LEU 105 Ca -0.12 2.36 -0.33 0.00 -1.03 0.00 0.00 54.13 55.01 3ksy s LEU 105 Cb 0.22 -3.59 -0.13 0.00 0.03 0.00 0.00 46.19 42.72 3ksy s LEU 105 CO 0.78 -0.66 2.34 -2.65 0.23 0.00 0.00 176.35 176.39 3ksy n PRO 106 N 3.82 0.76 -0.06 1.29 -0.02 -1.26 -4.82 135.00 134.71 3ksy n PRO 106 Ca 0.11 0.15 -0.15 0.00 -2.02 0.00 0.00 63.50 61.59 3ksy n PRO 106 Cb 0.42 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 3ksy n PRO 106 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3ksy h VAL 107 N 7.40 1.31 0.00 -1.45 2.07 -1.89 -2.50 116.25 121.19 3ksy h VAL 107 Ca -0.20 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.59 3ksy h VAL 107 Cb 1.32 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 3ksy h VAL 107 CO 1.13 0.55 0.00 -0.62 0.02 0.00 0.00 177.57 178.65 3ksy n GLU 108 N -4.12 0.11 -0.05 1.57 1.02 -1.26 -0.51 120.64 117.39 3ksy n GLU 108 Ca -0.06 0.19 -0.07 0.00 -0.02 0.00 0.00 57.16 57.20 3ksy n GLU 108 Cb 0.60 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.38 3ksy n GLU 108 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3ksy n LYS 109 N -1.39 0.66 0.02 3.49 5.02 -1.10 -4.45 118.16 120.41 3ksy n LYS 109 Ca 0.05 0.11 -0.14 0.00 -2.02 0.00 0.00 58.31 56.31 3ksy n LYS 109 Cb 0.15 -1.64 -0.14 0.00 -0.02 0.00 0.00 35.03 33.38 3ksy n LYS 109 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3ksy h ILE 110 N 0.00 0.97 -0.28 -0.18 2.04 -0.87 -3.37 117.51 115.82 3ksy h ILE 110 Ca -0.38 -2.71 0.05 0.00 1.00 0.00 0.00 64.86 62.81 3ksy h ILE 110 Cb 2.02 2.59 -0.05 0.00 -0.74 0.00 0.00 36.82 40.64 3ksy h ILE 110 CO 0.05 0.73 -0.00 -0.74 0.00 0.00 0.00 178.15 178.18 3ksy h HIS 111 N 0.04 -0.02 -0.32 1.37 2.76 -1.01 -0.62 115.15 117.34 3ksy h HIS 111 Ca -0.28 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 57.82 3ksy h HIS 111 Cb 2.00 0.05 -0.02 0.00 1.55 0.00 0.00 27.41 31.00 3ksy h HIS 111 CO 0.04 -0.05 -0.19 -1.35 -1.30 0.00 0.00 177.93 175.08 3ksy h PRO 112 N 0.08 0.59 0.00 5.26 0.11 -1.79 -2.91 132.00 133.34 3ksy h PRO 112 Ca 0.14 -0.20 -0.05 0.00 0.11 0.00 0.00 66.00 65.99 3ksy h PRO 112 Cb 0.18 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3ksy h PRO 112 CO -0.23 0.74 -0.22 -0.07 -0.21 0.00 0.00 178.00 178.01 3ksy h LEU 113 N 0.53 0.00 -0.37 2.35 3.38 -1.58 -3.16 115.31 116.46 3ksy h LEU 113 Ca 0.08 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 3ksy h LEU 113 Cb 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3ksy h LEU 113 CO 0.04 0.22 -0.17 -0.07 0.09 0.00 0.00 178.44 178.55 3ksy h LEU 114 N 0.00 0.79 -1.16 1.67 3.38 -0.92 -2.65 115.31 116.42 3ksy h LEU 114 Ca -0.00 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3ksy h LEU 114 Cb 0.84 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3ksy h LEU 114 CO 0.03 1.02 0.00 0.11 0.09 0.00 0.00 178.44 179.69 3ksy h LYS 115 N 0.56 0.00 0.04 1.13 1.57 -1.57 0.71 116.57 119.00 3ksy h LYS 115 Ca 0.08 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 3ksy h LYS 115 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 3ksy h LYS 115 CO 0.05 0.00 -0.27 1.49 -0.57 0.00 0.00 179.45 180.16 3ksy h GLU 116 N 0.00 0.08 -0.38 3.15 4.81 -1.56 -2.33 114.58 118.35 3ksy h GLU 116 Ca 0.00 -0.14 -0.14 0.00 -0.13 0.00 0.00 59.36 58.95 3ksy h GLU 116 Cb 0.40 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3ksy h GLU 116 CO 0.00 1.07 -0.31 0.28 -0.73 0.00 0.00 179.01 179.32 3ksy h VAL 117 N -0.83 1.28 -0.14 0.32 2.07 -1.26 -3.25 116.25 114.44 3ksy h VAL 117 Ca -0.05 -1.47 -0.05 0.00 0.82 0.00 0.00 66.70 65.95 3ksy h VAL 117 Cb 1.19 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 3ksy h VAL 117 CO 0.03 0.49 -0.10 0.25 0.02 0.00 0.00 177.57 178.26 3ksy h LEU 118 N 0.69 0.34 0.00 2.57 5.85 -1.01 -3.45 115.31 120.28 3ksy h LEU 118 Ca 0.07 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3ksy h LEU 118 Cb 0.89 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.83 3ksy h LEU 118 CO 0.08 0.71 0.00 0.61 -0.34 0.00 0.00 178.44 179.50 3ksy n GLY 119 N 0.11 1.03 3.46 3.75 0.00 -0.88 -5.00 105.19 107.65 3ksy n GLY 119 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 3ksy n GLY 119 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ksy s TYR 120 N -2.00 1.22 0.29 1.61 -0.85 -1.18 -4.98 117.35 111.47 3ksy s TYR 120 Ca 0.00 -1.39 -0.28 0.00 -0.52 0.00 0.00 57.07 54.88 3ksy s TYR 120 Cb 0.00 -0.19 -0.09 0.00 0.38 0.00 0.00 41.96 42.05 3ksy s TYR 120 CO 0.00 -1.12 0.96 0.21 -1.52 0.00 0.00 175.55 174.09 3ksy s LYS 121 N -3.02 4.67 0.01 -3.49 2.20 -1.26 -4.55 119.74 114.29 3ksy s LYS 121 Ca 0.32 1.45 -0.01 0.00 -0.36 0.00 0.00 55.97 57.37 3ksy s LYS 121 Cb -0.00 -3.00 -0.01 0.00 -1.51 0.00 0.00 37.83 33.30 3ksy s LYS 121 CO 0.23 0.34 0.01 0.96 -0.36 0.00 0.00 175.35 176.52 3ksy s ILE 122 N -1.41 0.08 0.82 5.43 -4.36 -1.26 -5.04 121.20 115.46 3ksy s ILE 122 Ca 0.47 -0.64 -0.12 0.00 -0.26 0.00 0.00 60.65 60.10 3ksy s ILE 122 Cb -0.23 -0.23 0.09 0.00 1.25 0.00 0.00 42.46 43.34 3ksy s ILE 122 CO 0.29 -0.35 1.15 -1.81 0.24 0.00 0.00 174.94 174.46 3ksy s ASP 123 N -1.05 3.69 0.46 4.36 1.01 -1.26 -4.91 116.67 118.96 3ksy s ASP 123 Ca -0.12 2.16 0.25 0.00 0.71 0.00 0.00 52.55 55.55 3ksy s ASP 123 Cb -0.07 -2.56 1.03 0.00 1.01 0.00 0.00 42.92 42.32 3ksy s ASP 123 CO -0.00 -2.59 1.87 -0.74 0.21 0.00 0.00 175.17 173.92 3ksy h HIS 124 N -1.19 0.00 -0.05 4.23 2.76 -2.00 -2.63 115.15 116.26 3ksy h HIS 124 Ca -0.45 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 57.63 3ksy h HIS 124 Cb 1.27 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.22 3ksy h HIS 124 CO 0.51 0.21 -0.40 0.37 -1.30 0.00 0.00 177.93 177.32 3ksy h GLN 125 N 0.00 0.11 -0.09 5.26 4.15 -2.00 -2.55 115.11 119.99 3ksy h GLN 125 Ca -0.00 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.30 3ksy h GLN 125 Cb 0.67 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.35 3ksy h GLN 125 CO 0.03 0.50 -0.20 0.28 -1.93 0.00 0.00 178.83 177.50 3ksy h VAL 126 N 0.09 1.41 -0.53 2.39 2.07 -1.83 -3.01 116.25 116.84 3ksy h VAL 126 Ca 0.01 -1.53 0.02 0.00 0.82 0.00 0.00 66.70 66.02 3ksy h VAL 126 Cb 0.75 2.18 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 3ksy h VAL 126 CO 0.06 0.44 0.32 0.28 0.02 0.00 0.00 177.57 178.69 3ksy h SER 127 N -0.18 0.53 -0.93 0.57 0.02 -1.46 -2.08 113.55 110.03 3ksy h SER 127 Ca -0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3ksy h SER 127 Cb 0.81 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.19 3ksy h SER 127 CO 0.04 0.38 0.62 0.58 -1.14 0.00 0.00 176.83 177.31 3ksy h VAL 128 N 0.65 1.23 -0.59 2.27 2.07 -1.53 -1.13 116.25 119.22 3ksy h VAL 128 Ca 0.21 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 3ksy h VAL 128 Cb 0.00 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.62 3ksy h VAL 128 CO -0.09 0.23 0.16 0.22 0.02 0.00 0.00 177.57 178.11 3ksy h TYR 129 N 1.25 0.94 -0.06 1.57 3.20 -1.29 -0.02 116.97 122.56 3ksy h TYR 129 Ca 0.34 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 3ksy h TYR 129 Cb -0.14 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 37.86 3ksy h TYR 129 CO -0.00 0.77 -0.04 0.82 -1.64 0.00 0.00 178.16 178.06 3ksy h ILE 130 N 0.88 1.36 -0.39 1.81 2.04 -0.66 -2.89 117.51 119.65 3ksy h ILE 130 Ca 0.19 -1.15 -0.05 0.00 1.00 0.00 0.00 64.86 64.86 3ksy h ILE 130 Cb 0.29 2.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 3ksy h ILE 130 CO -0.00 0.31 0.04 0.58 0.00 0.00 0.00 178.15 179.08 3ksy h VAL 131 N -0.30 1.20 -0.70 1.67 2.07 -1.19 -2.02 116.25 116.99 3ksy h VAL 131 Ca 0.01 -0.78 0.10 0.00 0.82 0.00 0.00 66.70 66.85 3ksy h VAL 131 Cb 0.53 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 3ksy h VAL 131 CO 0.01 0.27 0.33 0.00 0.02 0.00 0.00 177.57 178.21 3ksy h ALA 132 N 1.46 0.96 -0.46 1.67 0.00 -0.91 0.31 119.26 122.29 3ksy h ALA 132 Ca 0.13 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3ksy h ALA 132 Cb 0.31 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3ksy h ALA 132 CO 0.01 -0.08 -0.01 0.28 0.00 0.00 0.00 179.25 179.44 3ksy h VAL 133 N 0.56 1.26 -0.49 0.00 2.07 -1.23 -2.11 116.25 116.30 3ksy h VAL 133 Ca 0.35 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3ksy h VAL 133 Cb 0.40 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3ksy h VAL 133 CO -0.29 0.37 0.32 -0.07 0.02 0.00 0.00 177.57 177.92 3ksy h LEU 134 N 0.67 0.57 -0.12 2.57 3.38 -0.43 -1.67 115.31 120.27 3ksy h LEU 134 Ca 0.13 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3ksy h LEU 134 Cb 0.51 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3ksy h LEU 134 CO 0.03 0.42 -0.05 -0.08 0.09 0.00 0.00 178.44 178.85 3ksy h GLU 135 N 0.67 0.25 -0.52 1.13 4.81 -0.22 -0.83 114.58 119.87 3ksy h GLU 135 Ca 0.18 -0.10 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 3ksy h GLU 135 Cb -0.06 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 3ksy h GLU 135 CO -0.04 0.57 0.35 -0.92 -0.73 0.00 0.00 179.01 178.24 3ksy h TYR 136 N -0.08 0.49 0.23 0.92 3.20 -0.85 -0.89 116.97 119.99 3ksy h TYR 136 Ca 0.03 0.01 -0.32 0.00 3.14 0.00 0.00 58.73 61.59 3ksy h TYR 136 Cb 0.49 -0.16 0.04 0.00 1.54 0.00 0.00 36.73 38.63 3ksy h TYR 136 CO 0.06 0.27 -1.39 0.82 -1.64 0.00 0.00 178.16 176.28 3ksy h ILE 137 N 0.50 1.30 0.17 1.81 1.08 -1.23 -2.27 117.51 118.87 3ksy h ILE 137 Ca 0.22 -2.64 0.01 0.00 -0.39 0.00 0.00 64.86 62.05 3ksy h ILE 137 Cb 0.24 3.00 -0.02 0.00 -3.07 0.00 0.00 36.82 36.98 3ksy h ILE 137 CO -0.06 0.79 -0.19 0.28 -0.69 0.00 0.00 178.15 178.29 3ksy h SER 138 N 0.13 -0.50 0.20 1.72 0.02 -0.66 -1.84 113.55 112.62 3ksy h SER 138 Ca -0.24 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 3ksy h SER 138 Cb 2.09 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 64.80 3ksy h SER 138 CO 0.26 -0.28 -0.15 0.00 -1.14 0.00 0.00 176.83 175.53 3ksy h ALA 139 N 0.38 1.62 -0.34 3.77 0.00 -1.27 -2.55 119.26 120.87 3ksy h ALA 139 Ca 0.01 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 3ksy h ALA 139 Cb 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3ksy h ALA 139 CO -0.06 0.19 -0.41 0.22 0.00 0.00 0.00 179.25 179.19 3ksy h ASP 140 N 0.00 0.90 -0.04 0.00 3.58 -0.87 -0.09 116.42 119.90 3ksy h ASP 140 Ca -0.00 -0.42 -0.01 0.00 0.42 0.00 0.00 57.03 57.02 3ksy h ASP 140 Cb 0.29 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.09 3ksy h ASP 140 CO 0.02 1.19 -0.02 0.40 -2.88 0.00 0.00 179.24 177.94 3ksy h ILE 141 N 0.68 1.33 -0.31 2.25 2.04 -0.97 -2.02 117.51 120.51 3ksy h ILE 141 Ca 0.05 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 3ksy h ILE 141 Cb 0.98 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.99 3ksy h ILE 141 CO 0.09 0.28 0.08 -0.07 0.00 0.00 0.00 178.15 178.54 3ksy h LEU 142 N -0.31 0.40 -0.73 1.44 3.38 -1.48 -0.74 115.31 117.27 3ksy h LEU 142 Ca 0.01 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 3ksy h LEU 142 Cb 0.46 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3ksy h LEU 142 CO 0.01 0.40 -0.36 0.50 0.09 0.00 0.00 178.44 179.08 3ksy h LYS 143 N 0.44 0.55 0.24 1.13 3.64 -0.94 -0.78 116.57 120.86 3ksy h LYS 143 Ca 0.11 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 3ksy h LYS 143 Cb 0.16 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3ksy h LYS 143 CO -0.01 0.84 -0.12 1.25 -2.27 0.00 0.00 179.45 179.15 3ksy h LEU 144 N 0.47 -0.27 -1.79 5.20 5.85 -0.76 -3.00 115.31 121.00 3ksy h LEU 144 Ca 0.05 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.79 3ksy h LEU 144 Cb 0.85 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 3ksy h LEU 144 CO 0.07 0.21 0.28 -0.37 -0.34 0.00 0.00 178.44 178.29 3ksy h VAL 145 N -1.07 0.92 -0.26 1.05 -1.51 -1.25 -0.47 116.25 113.66 3ksy h VAL 145 Ca -0.03 -0.09 -0.06 0.00 -1.23 0.00 0.00 66.70 65.29 3ksy h VAL 145 Cb 0.31 0.65 -0.02 0.00 -2.13 0.00 0.00 31.29 30.10 3ksy h VAL 145 CO 0.05 0.05 -0.08 1.23 -1.23 0.00 0.00 177.57 177.59 3ksy h GLY 146 N 0.25 0.45 0.85 5.19 0.00 -1.21 -2.01 103.07 106.58 3ksy h GLY 146 Ca 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 3ksy h GLY 146 CO -0.04 0.26 0.04 3.43 0.00 0.00 0.00 176.54 180.24 3ksy h ASN 147 N 0.40 0.23 -0.81 0.19 2.35 -0.93 -1.05 115.58 115.95 3ksy h ASN 147 Ca 0.08 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.59 3ksy h ASN 147 Cb 0.39 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.67 3ksy h ASN 147 CO 0.02 0.38 0.38 1.88 -1.65 0.00 0.00 177.43 178.44 3ksy h TYR 148 N 0.06 1.18 -0.03 1.19 0.05 -1.37 0.13 116.97 118.18 3ksy h TYR 148 Ca 0.05 -0.06 -0.06 0.00 0.05 0.00 0.00 58.73 58.70 3ksy h TYR 148 Cb 0.24 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.60 3ksy h TYR 148 CO 0.00 0.86 -0.27 0.28 -1.05 0.00 0.00 178.16 177.98 3ksy h VAL 149 N 1.16 1.21 0.00 -2.88 2.07 -1.30 -0.65 116.25 115.85 3ksy h VAL 149 Ca 0.28 -1.00 -0.16 0.00 0.82 0.00 0.00 66.70 66.64 3ksy h VAL 149 Cb 0.14 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 3ksy h VAL 149 CO -0.03 0.29 -0.75 -0.09 0.02 0.00 0.00 177.57 177.00 3ksy h ARG 150 N 0.06 0.00 0.11 1.57 2.43 -0.17 -2.66 114.38 115.72 3ksy h ARG 150 Ca 0.01 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.98 3ksy h ARG 150 Cb 0.51 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.08 3ksy h ARG 150 CO 0.04 0.75 -0.83 -0.91 -1.51 0.00 0.00 179.97 177.51 3ksy h ASN 151 N 0.00 0.54 0.39 -3.80 2.35 -0.27 -3.25 115.58 111.54 3ksy h ASN 151 Ca -0.01 -0.89 0.00 0.00 -0.55 0.00 0.00 56.30 54.85 3ksy h ASN 151 Cb 1.48 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.68 3ksy h ASN 151 CO 0.10 1.38 0.00 2.30 -1.65 0.00 0.00 177.43 179.56 3ksy n ILE 152 N -4.10 0.32 -3.28 2.81 -5.35 -0.30 -4.92 119.36 104.54 3ksy n ILE 152 Ca -0.13 0.08 -0.11 0.00 -0.27 0.00 0.00 62.75 62.32 3ksy n ILE 152 Cb 0.81 -0.72 0.02 0.00 -1.74 0.00 0.00 39.64 38.01 3ksy n ILE 152 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3ksy n ARG 153 N -1.27 -1.55 -0.02 6.28 0.63 -1.15 -4.96 116.66 114.61 3ksy n ARG 153 Ca 0.10 1.11 -0.03 0.00 -0.92 0.00 0.00 57.85 58.11 3ksy n ARG 153 Cb 0.17 -5.13 -0.03 0.00 0.45 0.00 0.00 32.46 27.92 3ksy n ARG 153 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 3ksy n HIS 154 N -2.57 0.00 -0.87 -0.14 -0.00 -1.01 -5.02 115.22 105.60 3ksy n HIS 154 Ca -0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.11 3ksy n HIS 154 Cb 0.57 -0.20 0.00 0.00 -0.12 0.00 0.00 29.99 30.23 3ksy n HIS 154 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 3ksy n TYR 155 N -2.43 0.00 -4.14 1.57 4.02 -1.25 -4.98 117.16 109.95 3ksy n TYR 155 Ca -0.08 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.65 3ksy n TYR 155 Cb 0.62 -0.49 -0.14 0.00 -0.02 0.00 0.00 39.34 39.31 3ksy n TYR 155 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3ksy s GLU 156 N -0.36 0.43 -0.13 -0.72 8.01 -1.26 -2.31 118.70 122.36 3ksy s GLU 156 Ca 0.00 -0.27 -0.04 0.00 0.01 0.00 0.00 54.97 54.67 3ksy s GLU 156 Cb 0.00 -0.39 -0.03 0.00 -4.31 0.00 0.00 34.13 29.40 3ksy s GLU 156 CO 0.00 0.10 0.02 0.42 0.01 0.00 0.00 175.26 175.81 3ksy s ILE 157 N -0.31 4.46 0.12 -1.63 1.01 -1.23 -4.93 121.20 118.69 3ksy s ILE 157 Ca 0.00 -0.17 0.05 0.00 0.00 0.00 0.00 60.65 60.53 3ksy s ILE 157 Cb -0.03 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 3ksy s ILE 157 CO -0.00 0.54 -0.13 -0.89 0.00 0.00 0.00 174.94 174.46 3ksy s THR 158 N -0.28 1.24 0.55 2.92 2.01 -1.26 -4.35 115.64 116.47 3ksy s THR 158 Ca 0.07 -1.70 0.32 0.00 0.31 0.00 0.00 61.69 60.69 3ksy s THR 158 Cb -0.12 -1.49 0.47 0.00 0.01 0.00 0.00 72.50 71.37 3ksy s THR 158 CO 0.02 -0.45 1.85 0.50 -0.69 0.00 0.00 174.62 175.85 3ksy h LYS 159 N 3.53 0.00 0.01 4.92 3.64 -1.87 -1.92 116.57 124.88 3ksy h LYS 159 Ca -0.39 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.99 3ksy h LYS 159 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3ksy h LYS 159 CO 0.51 0.00 -0.00 1.96 -2.27 0.00 0.00 179.45 179.65 3ksy h GLN 160 N 0.00 -0.01 0.00 1.90 1.08 -1.96 -3.16 115.11 112.96 3ksy h GLN 160 Ca 0.41 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.61 3ksy h GLN 160 Cb 1.75 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.18 3ksy h GLN 160 CO -0.00 0.51 0.00 0.38 -0.95 0.00 0.00 178.83 178.76 3ksy h ASP 161 N -0.53 0.00 -0.37 1.46 3.04 -1.77 -2.16 116.42 116.10 3ksy h ASP 161 Ca -0.00 0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 53.67 3ksy h ASP 161 Cb 0.52 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.80 3ksy h ASP 161 CO 0.00 0.00 -0.24 0.40 -2.04 0.00 0.00 179.24 177.36 3ksy h ILE 162 N 0.00 1.28 -0.68 4.15 2.04 -1.48 -2.78 117.51 120.04 3ksy h ILE 162 Ca 0.00 -1.39 -0.02 0.00 1.00 0.00 0.00 64.86 64.46 3ksy h ILE 162 Cb 0.27 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 3ksy h ILE 162 CO 0.00 0.46 0.35 0.11 0.00 0.00 0.00 178.15 179.07 3ksy h LYS 163 N 0.61 0.96 -0.42 2.37 1.57 -1.44 -2.19 116.57 118.03 3ksy h LYS 163 Ca 0.08 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3ksy h LYS 163 Cb 0.80 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 3ksy h LYS 163 CO 0.07 0.74 0.23 0.28 -0.57 0.00 0.00 179.45 180.20 3ksy h VAL 164 N 0.94 1.00 -0.00 0.50 2.07 -1.48 -1.45 116.25 117.82 3ksy h VAL 164 Ca 0.24 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.54 3ksy h VAL 164 Cb 0.08 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3ksy h VAL 164 CO -0.03 0.08 -0.29 0.00 0.02 0.00 0.00 177.57 177.35 3ksy h ALA 165 N 1.21 1.51 0.24 1.67 0.00 -1.33 -2.83 119.26 119.73 3ksy h ALA 165 Ca 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3ksy h ALA 165 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ksy h ALA 165 CO -0.11 0.37 -0.12 0.52 0.00 0.00 0.00 179.25 179.92 3ksy h MET 166 N 0.01 -0.31 -0.81 0.00 2.07 -0.65 -3.15 114.93 112.08 3ksy h MET 166 Ca -0.00 0.02 0.10 0.00 -2.07 0.00 0.00 59.70 57.75 3ksy h MET 166 Cb 0.52 0.07 -0.06 0.00 -1.87 0.00 0.00 31.60 30.26 3ksy h MET 166 CO 0.04 -0.01 0.53 0.00 1.07 0.00 0.00 176.91 178.54 3ksy h ALA 168 N 1.59 1.10 -2.45 0.00 0.00 -1.46 -3.43 119.26 114.60 3ksy h ALA 168 Ca 0.38 -0.03 -0.48 0.00 0.00 0.00 0.00 54.91 54.79 3ksy h ALA 168 Cb 0.47 -0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.34 3ksy h ALA 168 CO -0.15 0.04 0.33 -0.51 0.00 0.00 0.00 179.25 178.96 3ksy s ASP 169 N -5.61 5.05 0.00 0.00 1.01 -0.15 -4.75 116.67 112.22 3ksy s ASP 169 Ca -0.03 0.82 0.00 0.00 0.71 0.00 0.00 52.55 54.05 3ksy s ASP 169 Cb 0.12 -1.52 0.00 0.00 1.01 0.00 0.00 42.92 42.53 3ksy s ASP 169 CO 0.50 -1.52 0.00 0.29 0.21 0.00 0.00 175.17 174.65 3ksy n LYS 170 N -3.01 3.14 -0.09 8.23 4.76 -1.26 -4.56 118.16 125.36 3ksy n LYS 170 Ca 0.07 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.33 3ksy n LYS 170 Cb 0.59 -0.63 -0.11 0.00 -1.84 0.00 0.00 35.03 33.05 3ksy n LYS 170 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3ksy h VAL 171 N 0.00 0.99 0.00 -0.18 2.07 -1.94 -3.22 116.25 113.97 3ksy h VAL 171 Ca 0.00 -2.07 -0.04 0.00 0.82 0.00 0.00 66.70 65.41 3ksy h VAL 171 Cb 0.00 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 3ksy h VAL 171 CO 0.00 0.33 -0.18 -0.07 0.02 0.00 0.00 177.57 177.68 3ksy h LEU 172 N -1.00 0.00 -0.34 2.57 4.07 -1.89 -1.34 115.31 117.38 3ksy h LEU 172 Ca -0.23 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.73 3ksy h LEU 172 Cb 1.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.87 3ksy h LEU 172 CO -0.14 0.18 -0.17 0.23 -1.08 0.00 0.00 178.44 177.45 3ksy n MET 173 N -3.49 0.74 0.01 1.13 2.81 -1.26 -1.36 117.12 115.70 3ksy n MET 173 Ca -0.01 -0.34 0.11 0.00 -1.81 0.00 0.00 57.70 55.65 3ksy n MET 173 Cb 0.34 -1.49 -0.08 0.00 -0.71 0.00 0.00 33.22 31.28 3ksy n MET 173 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3ksy n ASP 174 N -0.83 0.48 -0.04 7.83 2.03 -0.52 -2.66 116.55 122.84 3ksy n ASP 174 Ca 0.13 -0.24 -0.04 0.00 0.52 0.00 0.00 54.79 55.16 3ksy n ASP 174 Cb 0.31 1.25 -0.06 0.00 -0.72 0.00 0.00 41.12 41.90 3ksy n ASP 174 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3ksy n MET 175 N -2.05 2.29 -0.05 -0.67 0.00 -1.08 -4.68 117.12 110.88 3ksy n MET 175 Ca -0.00 0.01 0.01 0.00 0.00 0.00 0.00 57.70 57.72 3ksy n MET 175 Cb 0.48 -1.20 -0.16 0.00 0.00 0.00 0.00 33.22 32.34 3ksy n MET 175 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 3ksy n PHE 176 N -2.38 0.00 -3.05 3.17 3.01 -0.46 -5.02 117.46 112.72 3ksy n PHE 176 Ca -0.13 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.15 3ksy n PHE 176 Cb 0.74 -0.70 0.02 0.00 -0.01 0.00 0.00 39.48 39.52 3ksy n PHE 176 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3ksy n HIS 177 N -2.46 -3.25 0.00 1.38 8.25 -1.09 -5.01 115.22 113.05 3ksy n HIS 177 Ca -0.17 1.32 0.00 0.00 -0.26 0.00 0.00 57.72 58.61 3ksy n HIS 177 Cb 0.82 -3.41 0.00 0.00 1.12 0.00 0.00 29.99 28.52 3ksy n HIS 177 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3ksy n THR 195 N -0.31 -0.83 -5.16 1.59 -2.24 -1.26 -4.85 114.28 101.22 3ksy n THR 195 Ca 0.05 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.52 3ksy n THR 195 Cb 0.53 -0.78 -0.16 0.00 -2.10 0.00 0.00 70.33 67.82 3ksy n THR 195 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ksy s SER 196 N -0.89 3.28 0.27 3.42 1.04 -1.26 -5.12 113.70 114.45 3ksy s SER 196 Ca 0.00 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 55.98 3ksy s SER 196 Cb 0.00 -1.06 0.37 0.00 0.10 0.00 0.00 66.02 65.43 3ksy s SER 196 CO 0.00 0.22 1.70 1.23 0.98 0.00 0.00 173.24 177.37 3ksy h GLY 197 N 6.22 0.54 -3.19 7.32 0.00 -2.11 -3.44 103.07 108.41 3ksy h GLY 197 Ca -0.29 -0.46 -0.52 0.00 0.00 0.00 0.00 47.33 46.06 3ksy h GLY 197 CO 0.48 0.42 0.56 -0.54 0.00 0.00 0.00 176.54 177.46 3ksy s GLU 198 N -4.45 3.91 -0.41 4.80 2.02 -1.26 -5.00 118.70 118.31 3ksy s GLU 198 Ca -0.07 2.01 0.08 0.00 0.02 0.00 0.00 54.97 57.01 3ksy s GLU 198 Cb 0.13 -2.65 0.25 0.00 0.10 0.00 0.00 34.13 31.96 3ksy s GLU 198 CO 0.80 -0.49 0.55 1.04 0.02 0.00 0.00 175.26 177.17 3ksy n GLN 199 N -0.04 0.89 -2.04 1.61 6.02 -1.26 -5.10 117.38 117.46 3ksy n GLN 199 Ca 0.05 -3.37 -0.34 0.00 -0.01 0.00 0.00 57.00 53.34 3ksy n GLN 199 Cb 0.45 -1.32 0.02 0.00 1.02 0.00 0.00 30.24 30.41 3ksy n GLN 199 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3ksy s THR 200 N -1.34 3.41 0.25 5.09 -4.23 -1.26 -4.96 115.64 112.60 3ksy s THR 200 Ca 0.36 0.74 -0.01 0.00 -1.18 0.00 0.00 61.69 61.60 3ksy s THR 200 Cb 0.17 -3.25 0.04 0.00 1.34 0.00 0.00 72.50 70.80 3ksy s THR 200 CO -0.10 -0.33 1.66 0.22 -0.54 0.00 0.00 174.62 175.53 3ksy h TYR 201 N 0.59 0.68 0.00 3.99 5.03 -1.94 -3.00 116.97 122.33 3ksy h TYR 201 Ca -0.48 -0.16 -0.22 0.00 2.58 0.00 0.00 58.73 60.45 3ksy h TYR 201 Cb 1.24 -0.16 -0.00 0.00 1.55 0.00 0.00 36.73 39.36 3ksy h TYR 201 CO 0.55 0.81 -0.93 -0.92 -1.32 0.00 0.00 178.16 176.35 3ksy h TYR 202 N 0.52 0.53 -0.32 -3.82 3.20 -1.93 -3.30 116.97 111.86 3ksy h TYR 202 Ca 0.07 -0.29 -0.05 0.00 3.14 0.00 0.00 58.73 61.60 3ksy h TYR 202 Cb 0.74 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 3ksy h TYR 202 CO 0.03 1.11 0.02 0.22 -1.64 0.00 0.00 178.16 177.90 3ksy h ASP 203 N 0.20 0.53 -0.31 -2.11 3.58 -1.94 -2.68 116.42 113.70 3ksy h ASP 203 Ca -0.07 -0.29 0.05 0.00 0.42 0.00 0.00 57.03 57.13 3ksy h ASP 203 Cb 1.57 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 42.46 3ksy h ASP 203 CO 0.16 0.69 0.21 0.17 -2.88 0.00 0.00 179.24 177.59 3ksy h LEU 204 N 0.35 0.19 0.05 2.28 8.10 -1.62 0.39 115.31 125.05 3ksy h LEU 204 Ca 0.09 -0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.08 3ksy h LEU 204 Cb 0.41 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.59 3ksy h LEU 204 CO 0.01 0.13 -0.02 0.58 -4.11 0.00 0.00 178.44 175.03 3ksy h VAL 205 N 0.22 1.24 0.00 0.15 2.07 -1.59 0.16 116.25 118.50 3ksy h VAL 205 Ca 0.13 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 3ksy h VAL 205 Cb 0.26 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3ksy h VAL 205 CO -0.02 0.25 -0.10 0.50 0.02 0.00 0.00 177.57 178.22 3ksy h LYS 206 N -0.52 0.00 0.01 1.57 1.63 -1.01 -0.70 116.57 117.54 3ksy h LYS 206 Ca -0.01 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 3ksy h LYS 206 Cb 0.47 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 3ksy h LYS 206 CO 0.01 0.10 -0.10 0.00 -3.45 0.00 0.00 179.45 176.01 3ksy h ALA 207 N 1.90 0.00 -0.80 5.00 0.00 -0.13 -2.88 119.26 122.35 3ksy h ALA 207 Ca -0.00 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.50 3ksy h ALA 207 Cb 0.19 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3ksy h ALA 207 CO 0.01 -0.01 0.51 0.35 0.00 0.00 0.00 179.25 180.11 3ksy h PHE 208 N -0.74 0.95 0.00 0.00 3.57 -0.47 -0.64 116.94 119.61 3ksy h PHE 208 Ca -0.01 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 3ksy h PHE 208 Cb 0.92 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.35 3ksy h PHE 208 CO 0.21 0.54 -0.10 0.52 -2.23 0.00 0.00 178.31 177.26 3ksy h MET 209 N 0.99 0.00 0.00 1.11 2.86 -1.21 0.19 114.93 118.87 3ksy h MET 209 Ca 0.32 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.76 3ksy h MET 209 Cb 0.03 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 3ksy h MET 209 CO -0.12 0.10 -0.95 0.00 1.06 0.00 0.00 176.91 177.00 3ksy h ALA 210 N 1.90 0.44 0.01 6.32 0.00 -1.00 -3.05 119.26 123.89 3ksy h ALA 210 Ca -0.00 -0.86 -0.14 0.00 0.00 0.00 0.00 54.91 53.92 3ksy h ALA 210 Cb 0.18 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.83 3ksy h ALA 210 CO 0.01 1.17 -0.54 0.93 0.00 0.00 0.00 179.25 180.82 3ksy h GLU 211 N 0.00 0.34 0.00 0.00 4.39 0.08 -3.13 114.58 116.27 3ksy h GLU 211 Ca -0.01 -0.39 -0.04 0.00 0.34 0.00 0.00 59.36 59.26 3ksy h GLU 211 Cb 1.67 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 30.43 3ksy h GLU 211 CO 0.12 1.08 -0.19 0.97 -1.16 0.00 0.00 179.01 179.84 3ksy h ILE 212 N -0.23 0.95 -0.45 3.13 2.10 -0.78 0.75 117.51 122.98 3ksy h ILE 212 Ca -0.07 -0.68 -0.11 0.00 1.08 0.00 0.00 64.86 65.08 3ksy h ILE 212 Cb 1.28 1.39 -0.01 0.00 -1.09 0.00 0.00 36.82 38.38 3ksy h ILE 212 CO 0.11 0.18 -0.14 0.03 -1.08 0.00 0.00 178.15 177.25 3ksy h ARG 213 N 0.00 0.89 -0.36 2.19 3.08 -1.58 0.21 114.38 118.81 3ksy h ARG 213 Ca -0.00 -0.35 -0.14 0.00 0.07 0.00 0.00 59.98 59.55 3ksy h ARG 213 Cb 0.37 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3ksy h ARG 213 CO 0.02 1.00 -0.32 0.37 -1.07 0.00 0.00 179.97 179.98 3ksy h GLN 214 N 0.72 0.85 0.06 0.04 5.75 -1.32 -2.52 115.11 118.68 3ksy h GLN 214 Ca 0.11 -0.43 0.02 0.00 -0.15 0.00 0.00 58.65 58.20 3ksy h GLN 214 Cb 0.69 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.22 3ksy h GLN 214 CO 0.05 1.07 -0.22 -0.92 -2.65 0.00 0.00 178.83 176.16 3ksy h TYR 215 N 0.64 -0.59 -0.46 3.99 3.20 -0.74 -1.32 116.97 121.68 3ksy h TYR 215 Ca 0.06 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.01 3ksy h TYR 215 Cb 0.90 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.40 3ksy h TYR 215 CO 0.07 -0.31 0.31 0.82 -1.64 0.00 0.00 178.16 177.40 3ksy h ILE 216 N -0.38 0.96 -0.50 1.81 2.04 -0.93 0.25 117.51 120.75 3ksy h ILE 216 Ca 0.04 -0.13 -0.10 0.00 1.00 0.00 0.00 64.86 65.68 3ksy h ILE 216 Cb 0.43 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3ksy h ILE 216 CO -0.16 0.07 -0.08 -0.09 0.00 0.00 0.00 178.15 177.88 3ksy h ARG 217 N 0.37 0.91 -0.43 2.37 2.43 -0.92 -1.62 114.38 117.50 3ksy h ARG 217 Ca 0.20 -0.31 -0.12 0.00 -0.81 0.00 0.00 59.98 58.95 3ksy h ARG 217 Cb 0.33 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3ksy h ARG 217 CO -0.05 0.95 -0.20 0.93 -1.51 0.00 0.00 179.97 180.10 3ksy h GLU 218 N 0.82 0.84 -0.05 0.20 5.08 0.08 -2.14 114.58 119.42 3ksy h GLU 218 Ca 0.14 -0.33 0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3ksy h GLU 218 Cb 0.60 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3ksy h GLU 218 CO 0.04 0.96 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.91 3ksy h LEU 219 N 0.73 -0.09 -2.03 1.33 3.38 -0.83 -0.87 115.31 116.93 3ksy h LEU 219 Ca 0.10 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ksy h LEU 219 Cb 0.72 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 3ksy h LEU 219 CO 0.06 -0.04 -0.02 0.78 0.09 0.00 0.00 178.44 179.30 3ksy h ASN 220 N -0.03 0.00 -0.21 -0.43 4.21 -1.19 0.15 115.58 118.08 3ksy h ASN 220 Ca 0.03 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.39 3ksy h ASN 220 Cb 0.07 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.26 3ksy h ASN 220 CO -0.06 0.02 -0.43 0.25 -1.29 0.00 0.00 177.43 175.92 3ksy h LEU 221 N 0.00 0.82 -0.37 1.61 5.85 -0.68 0.82 115.31 123.36 3ksy h LEU 221 Ca -0.00 -0.39 -0.18 0.00 0.84 0.00 0.00 57.88 58.15 3ksy h LEU 221 Cb 0.04 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3ksy h LEU 221 CO 0.00 1.13 -0.82 0.40 -0.34 0.00 0.00 178.44 178.82 3ksy h ILE 222 N 0.62 1.51 0.04 4.05 2.04 0.22 -2.90 117.51 123.09 3ksy h ILE 222 Ca 0.04 -2.58 -0.21 0.00 1.00 0.00 0.00 64.86 63.11 3ksy h ILE 222 Cb 0.98 2.42 -0.02 0.00 -0.74 0.00 0.00 36.82 39.46 3ksy h ILE 222 CO 0.09 0.75 -1.11 0.40 0.00 0.00 0.00 178.15 178.28 3ksy h ILE 223 N 0.08 1.10 -0.02 -0.67 2.04 -0.71 0.15 117.51 119.47 3ksy h ILE 223 Ca -0.03 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.54 3ksy h ILE 223 Cb 1.43 2.61 0.00 0.00 -0.74 0.00 0.00 36.82 40.11 3ksy h ILE 223 CO 0.12 0.52 -0.21 0.29 0.00 0.00 0.00 178.15 178.87 3ksy n LYS 224 N -4.26 1.65 0.00 2.37 5.02 0.27 -1.42 118.16 121.79 3ksy n LYS 224 Ca -0.26 -1.29 0.00 0.00 -2.02 0.00 0.00 58.31 54.75 3ksy n LYS 224 Cb 0.73 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 3ksy n LYS 224 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3ksy n VAL 225 N 0.45 0.00 -0.09 -0.18 0.31 -1.12 -4.59 118.33 113.10 3ksy n VAL 225 Ca 0.13 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.23 3ksy n VAL 225 Cb 0.49 -0.90 -0.12 0.00 -0.91 0.00 0.00 33.84 32.40 3ksy n VAL 225 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3ksy n PHE 226 N -2.66 0.91 0.11 3.52 3.72 -1.11 -4.46 117.46 117.49 3ksy n PHE 226 Ca 0.00 0.36 -0.03 0.00 -0.05 0.00 0.00 57.45 57.73 3ksy n PHE 226 Cb 0.45 -1.10 0.06 0.00 -0.94 0.00 0.00 39.48 37.96 3ksy n PHE 226 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3ksy h ARG 227 N -0.84 0.00 -0.41 -1.08 2.43 -0.70 -3.31 114.38 110.47 3ksy h ARG 227 Ca -0.41 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.80 3ksy h ARG 227 Cb 1.45 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.96 3ksy h ARG 227 CO -0.20 0.74 0.20 1.49 -1.51 0.00 0.00 179.97 180.69 3ksy h GLU 228 N 0.00 0.39 -1.00 0.20 4.57 -1.47 -2.47 114.58 114.81 3ksy h GLU 228 Ca -0.01 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.22 3ksy h GLU 228 Cb 1.36 -0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 29.79 3ksy h GLU 228 CO 0.10 0.26 0.64 -1.35 -1.18 0.00 0.00 179.01 177.48 3ksy h PRO 229 N 0.41 1.12 0.00 0.92 0.11 -1.78 0.12 132.00 132.89 3ksy h PRO 229 Ca 0.18 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.18 3ksy h PRO 229 Cb 0.09 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 3ksy h PRO 229 CO -0.13 0.74 -0.19 0.74 -0.21 0.00 0.00 178.00 178.95 3ksy h PHE 230 N 1.15 0.00 0.00 0.65 0.04 -1.62 -2.63 116.94 114.53 3ksy h PHE 230 Ca 0.43 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.99 3ksy h PHE 230 Cb 0.19 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.31 3ksy h PHE 230 CO -0.00 0.19 -1.44 0.28 -0.60 0.00 0.00 178.31 176.74 3ksy h VAL 231 N 0.00 0.71 0.47 -0.55 2.07 -0.84 -3.38 116.25 114.72 3ksy h VAL 231 Ca -0.00 -2.34 -0.02 0.00 0.82 0.00 0.00 66.70 65.15 3ksy h VAL 231 Cb 0.67 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 3ksy h VAL 231 CO 0.02 0.41 -0.23 0.28 0.02 0.00 0.00 177.57 178.08 3ksy h SER 232 N 0.00 -0.53 -1.95 0.57 0.02 -0.60 -3.39 113.55 107.67 3ksy h SER 232 Ca -0.19 -0.07 -0.55 0.00 -0.84 0.00 0.00 61.79 60.14 3ksy h SER 232 Cb 1.74 0.14 -0.08 0.00 0.14 0.00 0.00 62.40 64.33 3ksy h SER 232 CO 0.06 -0.13 1.19 0.21 -1.14 0.00 0.00 176.83 177.03 3ksy s ASN 233 N -4.85 6.19 -0.02 3.07 3.84 -1.01 -4.83 114.94 117.33 3ksy s ASN 233 Ca -0.13 -0.70 -0.16 0.00 0.21 0.00 0.00 52.86 52.09 3ksy s ASN 233 Cb 0.01 -2.56 -0.33 0.00 -0.55 0.00 0.00 41.25 37.82 3ksy s ASN 233 CO 0.42 -1.79 0.84 -1.28 -2.79 0.00 0.00 177.10 172.50 3ksy h SER 234 N 10.24 0.67 0.13 -4.21 0.87 -1.77 -2.17 113.55 117.32 3ksy h SER 234 Ca -0.14 -0.92 -0.00 0.00 -1.23 0.00 0.00 61.79 59.50 3ksy h SER 234 Cb 1.04 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.78 3ksy h SER 234 CO 1.32 1.67 -0.02 0.07 -0.53 0.00 0.00 176.83 179.34 3ksy h LYS 235 N -0.00 0.00 0.01 2.24 5.09 -1.97 -2.97 116.57 118.97 3ksy h LYS 235 Ca -0.27 0.00 -0.41 0.00 0.09 0.00 0.00 60.65 60.06 3ksy h LYS 235 Cb 2.02 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 34.29 3ksy h LYS 235 CO 0.21 0.02 -2.32 -0.11 -2.09 0.00 0.00 179.45 175.15 3ksy n LEU 236 N -3.42 2.30 -4.23 7.07 0.00 -1.24 -4.91 117.00 112.56 3ksy n LEU 236 Ca -0.03 0.20 -0.34 0.00 0.00 0.00 0.00 56.01 55.84 3ksy n LEU 236 Cb 0.12 -0.89 -0.15 0.00 0.00 0.00 0.00 43.42 42.50 3ksy n LEU 236 CO 0.24 0.67 -0.45 -0.36 0.00 0.00 0.00 177.39 177.49 3ksy s PHE 237 N -2.50 2.87 0.89 1.96 0.08 -0.82 -5.06 117.98 115.40 3ksy s PHE 237 Ca -0.35 -1.22 -0.11 0.00 0.12 0.00 0.00 56.93 55.37 3ksy s PHE 237 Cb 0.11 -2.01 0.19 0.00 -0.57 0.00 0.00 43.02 40.74 3ksy s PHE 237 CO 0.56 -0.64 1.22 -1.54 -0.10 0.00 0.00 175.22 174.72 3ksy s SER 238 N 1.33 3.44 0.04 1.36 1.04 -1.25 -4.17 113.70 115.48 3ksy s SER 238 Ca 0.04 -0.03 -0.19 0.00 0.48 0.00 0.00 55.95 56.25 3ksy s SER 238 Cb -0.14 -0.08 -0.10 0.00 0.10 0.00 0.00 66.02 65.80 3ksy s SER 238 CO -0.07 -2.49 1.29 0.00 0.98 0.00 0.00 173.24 172.95 3ksy h ALA 239 N -1.28 -1.09 -0.15 5.32 0.00 -1.95 -2.51 119.26 117.59 3ksy h ALA 239 Ca -0.41 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.41 3ksy h ALA 239 Cb 1.24 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 3ksy h ALA 239 CO 0.36 -1.07 0.14 -0.97 0.00 0.00 0.00 179.25 177.72 3ksy h ASN 240 N -0.62 0.00 -0.81 0.00 -1.24 -1.99 -1.13 115.58 109.79 3ksy h ASN 240 Ca -0.06 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.94 3ksy h ASN 240 Cb 0.50 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.51 3ksy h ASN 240 CO 0.05 0.00 0.45 -0.78 -1.29 0.00 0.00 177.43 175.87 3ksy h ASP 241 N 0.00 1.01 -0.08 1.15 3.58 -1.83 -1.94 116.42 118.31 3ksy h ASP 241 Ca 0.07 -0.08 -0.22 0.00 0.42 0.00 0.00 57.03 57.22 3ksy h ASP 241 Cb 0.36 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 41.17 3ksy h ASP 241 CO -0.00 0.80 -0.81 0.58 -2.88 0.00 0.00 179.24 176.93 3ksy h VAL 242 N 1.14 1.30 -0.83 2.25 2.07 -0.80 -3.27 116.25 118.11 3ksy h VAL 242 Ca 0.29 -2.05 0.10 0.00 0.82 0.00 0.00 66.70 65.85 3ksy h VAL 242 Cb 0.01 2.21 -0.07 0.00 -1.52 0.00 0.00 31.29 31.92 3ksy h VAL 242 CO -0.05 0.64 0.48 -0.08 0.02 0.00 0.00 177.57 178.57 3ksy h GLU 243 N 0.37 0.77 0.00 1.57 4.57 -1.16 -0.85 114.58 119.85 3ksy h GLU 243 Ca -0.08 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 3ksy h GLU 243 Cb 1.46 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 3ksy h GLU 243 CO 0.16 0.51 0.00 0.09 -1.18 0.00 0.00 179.01 178.59 3ksy n ASN 244 N -4.74 0.12 -0.11 1.04 5.03 -0.76 -1.29 115.26 114.54 3ksy n ASN 244 Ca 0.14 0.55 -0.19 0.00 0.87 0.00 0.00 54.58 55.94 3ksy n ASN 244 Cb 0.28 -0.57 -0.06 0.00 -1.02 0.00 0.00 39.78 38.42 3ksy n ASN 244 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 3ksy n ILE 245 N -1.65 1.48 -0.10 2.41 5.41 -0.35 -4.82 119.36 121.73 3ksy n ILE 245 Ca 0.01 -0.12 -0.20 0.00 1.00 0.00 0.00 62.75 63.43 3ksy n ILE 245 Cb 0.07 -2.08 -0.12 0.00 -0.71 0.00 0.00 39.64 36.79 3ksy n ILE 245 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3ksy n PHE 246 N -4.31 0.34 -2.80 1.39 3.72 -1.03 -5.02 117.46 109.76 3ksy n PHE 246 Ca -0.34 0.08 -0.02 0.00 -0.05 0.00 0.00 57.45 57.12 3ksy n PHE 246 Cb 0.69 -1.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.19 3ksy n PHE 246 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3ksy n SER 247 N -3.47 -7.88 -3.64 4.37 7.64 -0.41 -4.16 113.62 106.07 3ksy n SER 247 Ca -0.43 1.19 -0.23 0.00 1.01 0.00 0.00 58.87 60.41 3ksy n SER 247 Cb 0.98 -4.98 0.04 0.00 -1.01 0.00 0.00 64.21 59.24 3ksy n SER 247 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3ksy n ARG 248 N 0.58 -3.72 -0.01 1.43 5.12 -1.26 -4.61 116.66 114.20 3ksy n ARG 248 Ca 0.02 0.61 -0.13 0.00 -1.93 0.00 0.00 57.85 56.42 3ksy n ARG 248 Cb 0.13 -5.02 -0.14 0.00 -1.16 0.00 0.00 32.46 26.27 3ksy n ARG 248 CO 0.00 0.00 0.00 0.97 -1.93 0.00 0.00 177.63 176.67 3ksy h ILE 249 N -1.77 0.79 -0.52 0.55 6.09 -1.96 -3.33 117.51 117.36 3ksy h ILE 249 Ca -0.62 -2.60 -0.02 0.00 -1.37 0.00 0.00 64.86 60.24 3ksy h ILE 249 Cb 1.35 2.46 -0.02 0.00 0.47 0.00 0.00 36.82 41.08 3ksy h ILE 249 CO 0.53 0.62 0.24 0.58 -3.07 0.00 0.00 178.15 177.05 3ksy h VAL 250 N 0.02 1.20 -0.79 2.19 2.07 -1.94 -2.63 116.25 116.37 3ksy h VAL 250 Ca -0.32 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 66.66 3ksy h VAL 250 Cb 2.02 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 3ksy h VAL 250 CO 0.08 0.23 0.50 0.44 0.02 0.00 0.00 177.57 178.84 3ksy h ASP 251 N 0.69 0.82 -0.32 0.57 5.19 -1.97 -0.49 116.42 120.91 3ksy h ASP 251 Ca 0.18 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.57 3ksy h ASP 251 Cb 0.13 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.45 3ksy h ASP 251 CO -0.02 0.56 0.16 0.40 -3.12 0.00 0.00 179.24 177.22 3ksy h ILE 252 N 0.97 1.13 0.07 0.35 2.04 -1.62 -2.48 117.51 117.97 3ksy h ILE 252 Ca 0.32 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 3ksy h ILE 252 Cb 0.04 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3ksy h ILE 252 CO -0.12 0.15 -0.03 -0.74 0.00 0.00 0.00 178.15 177.41 3ksy h HIS 253 N 0.50 -0.08 -0.05 1.37 2.76 -0.78 -2.18 115.15 116.67 3ksy h HIS 253 Ca 0.13 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.31 3ksy h HIS 253 Cb 0.07 0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.05 3ksy h HIS 253 CO 0.00 0.36 0.11 0.93 -1.30 0.00 0.00 177.93 178.03 3ksy h GLU 254 N -0.56 0.00 0.09 5.26 5.08 -1.01 -1.04 114.58 122.40 3ksy h GLU 254 Ca -0.01 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 3ksy h GLU 254 Cb 0.48 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.74 3ksy h GLU 254 CO 0.02 0.00 -0.66 1.25 -1.00 0.00 0.00 179.01 178.61 3ksy h LEU 255 N 0.00 0.30 -1.15 1.33 6.46 -1.35 -3.08 115.31 117.83 3ksy h LEU 255 Ca 0.03 -0.94 -0.03 0.00 -0.12 0.00 0.00 57.88 56.82 3ksy h LEU 255 Cb 0.24 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 3ksy h LEU 255 CO -0.00 1.31 0.26 0.28 -0.62 0.00 0.00 178.44 179.66 3ksy h SER 256 N -0.58 0.78 0.25 1.25 0.02 -0.65 0.16 113.55 114.78 3ksy h SER 256 Ca -0.13 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 3ksy h SER 256 Cb 1.45 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.80 3ksy h SER 256 CO 0.08 0.69 -0.12 0.58 -1.14 0.00 0.00 176.83 176.92 3ksy h VAL 257 N 0.85 0.79 -0.33 2.27 2.07 -1.36 0.11 116.25 120.65 3ksy h VAL 257 Ca 0.21 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.51 3ksy h VAL 257 Cb 0.14 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3ksy h VAL 257 CO -0.02 0.05 0.17 0.11 0.02 0.00 0.00 177.57 177.90 3ksy h LYS 258 N -0.46 0.34 -0.83 1.57 1.57 -1.37 0.38 116.57 117.77 3ksy h LYS 258 Ca -0.03 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3ksy h LYS 258 Cb 0.34 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 3ksy h LYS 258 CO 0.06 0.23 0.45 1.25 -0.57 0.00 0.00 179.45 180.86 3ksy h LEU 259 N 0.35 1.04 -1.34 2.94 6.46 -0.94 0.57 115.31 124.40 3ksy h LEU 259 Ca 0.14 -0.09 -0.07 0.00 -0.12 0.00 0.00 57.88 57.74 3ksy h LEU 259 Cb 0.04 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.70 3ksy h LEU 259 CO -0.09 0.84 -0.32 0.25 -0.62 0.00 0.00 178.44 178.49 3ksy h LEU 260 N 1.17 0.00 0.50 2.25 7.12 0.01 -1.78 115.31 124.58 3ksy h LEU 260 Ca 0.29 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.28 3ksy h LEU 260 Cb 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.17 3ksy h LEU 260 CO -0.05 0.32 -0.24 1.23 -0.13 0.00 0.00 178.44 179.58 3ksy h GLY 261 N 1.17 -0.71 2.00 3.75 0.00 0.17 -2.71 103.07 106.75 3ksy h GLY 261 Ca -0.00 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 3ksy h GLY 261 CO 0.04 -0.26 -0.05 0.45 0.00 0.00 0.00 176.54 176.72 3ksy h HIS 262 N -1.09 0.00 0.02 5.60 3.86 -0.95 -1.58 115.15 121.01 3ksy h HIS 262 Ca -0.07 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.92 3ksy h HIS 262 Cb 0.58 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.03 3ksy h HIS 262 CO 0.01 0.05 -1.07 0.97 0.86 0.00 0.00 177.93 178.75 3ksy h ILE 263 N 0.00 1.64 0.00 2.45 6.09 -1.36 -2.37 117.51 123.97 3ksy h ILE 263 Ca -0.00 -3.33 -0.08 0.00 -1.37 0.00 0.00 64.86 60.08 3ksy h ILE 263 Cb 0.22 2.85 -0.01 0.00 0.47 0.00 0.00 36.82 40.34 3ksy h ILE 263 CO 0.01 0.95 -0.44 -0.33 -3.07 0.00 0.00 178.15 175.27 3ksy h GLU 264 N 0.01 0.00 0.20 2.19 5.08 -1.03 -3.23 114.58 117.80 3ksy h GLU 264 Ca -0.04 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.03 3ksy h GLU 264 Cb 1.82 0.00 0.03 0.00 0.50 0.00 0.00 28.75 31.10 3ksy h GLU 264 CO 0.14 0.35 -1.22 -0.44 -1.00 0.00 0.00 179.01 176.84 3ksy h ASP 265 N 0.00 0.73 -0.57 1.42 3.32 -1.32 -2.76 116.42 117.24 3ksy h ASP 265 Ca -0.01 -0.91 -0.04 0.00 0.02 0.00 0.00 57.03 56.08 3ksy h ASP 265 Cb 1.29 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 3ksy h ASP 265 CO 0.05 1.59 0.20 0.74 -1.72 0.00 0.00 179.24 180.10 3ksy h THR 266 N -0.00 1.23 -0.22 0.35 2.02 -1.52 -1.98 112.91 112.79 3ksy h THR 266 Ca -0.21 -0.77 -0.19 0.00 0.77 0.00 0.00 66.41 66.01 3ksy h THR 266 Cb 1.95 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 3ksy h THR 266 CO 0.23 0.30 -0.62 0.58 0.37 0.00 0.00 175.52 176.38 3ksy h VAL 267 N 0.89 1.28 0.00 3.16 2.07 -1.66 -2.79 116.25 119.21 3ksy h VAL 267 Ca 0.20 -1.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 3ksy h VAL 267 Cb 0.24 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3ksy h VAL 267 CO -0.01 0.58 -0.04 -0.08 0.02 0.00 0.00 177.57 178.04 3ksy h GLU 268 N 0.55 0.00 0.00 1.57 4.81 -1.16 -1.62 114.58 118.72 3ksy h GLU 268 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3ksy h GLU 268 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3ksy h GLU 268 CO 0.13 0.04 -0.81 -1.33 -0.73 0.00 0.00 179.01 176.31 3ksy n MET 269 N -3.75 0.29 -2.46 1.92 2.81 -0.78 -4.86 117.12 110.29 3ksy n MET 269 Ca -0.03 0.04 -0.43 0.00 -1.81 0.00 0.00 57.70 55.48 3ksy n MET 269 Cb 0.13 -1.64 -0.02 0.00 -0.71 0.00 0.00 33.22 30.98 3ksy n MET 269 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3ksy s THR 270 N -3.18 4.31 1.02 2.03 2.01 -0.61 -5.02 115.64 116.19 3ksy s THR 270 Ca 0.05 1.56 -0.15 0.00 0.31 0.00 0.00 61.69 63.45 3ksy s THR 270 Cb 0.14 -4.09 0.20 0.00 0.01 0.00 0.00 72.50 68.77 3ksy s THR 270 CO 0.76 -0.23 1.16 -1.81 -0.69 0.00 0.00 174.62 173.81 3ksy s ASP 271 N 2.06 2.50 0.44 3.53 1.01 -1.26 -4.95 116.67 120.00 3ksy s ASP 271 Ca 0.53 0.76 0.24 0.00 0.71 0.00 0.00 52.55 54.80 3ksy s ASP 271 Cb -0.19 -1.15 0.90 0.00 1.01 0.00 0.00 42.92 43.49 3ksy s ASP 271 CO 0.15 -3.16 1.82 -0.33 0.21 0.00 0.00 175.17 173.87 3ksy h GLU 272 N -1.92 0.00 -1.81 8.23 5.08 -1.99 -3.24 114.58 118.93 3ksy h GLU 272 Ca -0.48 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.60 3ksy h GLU 272 Cb 1.30 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.45 3ksy h GLU 272 CO 0.49 0.22 0.20 0.41 -1.00 0.00 0.00 179.01 179.32 3ksy n GLY 273 N 0.20 3.65 3.09 -3.84 0.00 -1.26 -4.82 105.19 102.22 3ksy n GLY 273 Ca 0.00 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 3ksy n GLY 273 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ksy s SER 274 N 0.89 -0.24 0.14 1.61 0.01 -1.23 -5.06 113.70 109.83 3ksy s SER 274 Ca 0.37 0.48 -0.17 0.00 1.31 0.00 0.00 55.95 57.93 3ksy s SER 274 Cb 0.24 0.45 -0.01 0.00 0.21 0.00 0.00 66.02 66.91 3ksy s SER 274 CO -0.05 -0.11 1.80 1.55 0.41 0.00 0.00 173.24 176.84 3ksy h PRO 275 N 6.21 0.45 -1.77 12.44 0.13 -1.91 -3.46 132.00 144.10 3ksy h PRO 275 Ca -0.30 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 64.82 3ksy h PRO 275 Cb 1.18 -0.10 -0.22 0.00 0.13 0.00 0.00 31.00 31.99 3ksy h PRO 275 CO 0.37 0.30 0.36 -3.38 -0.23 0.00 0.00 178.00 175.41 3ksy s HIS 276 N -6.17 -0.54 0.73 1.56 -3.43 -1.26 -4.87 115.29 101.31 3ksy s HIS 276 Ca -0.13 1.10 -0.16 0.00 -0.80 0.00 0.00 55.06 55.07 3ksy s HIS 276 Cb 0.10 0.39 0.00 0.00 -1.43 0.00 0.00 32.58 31.64 3ksy s HIS 276 CO 0.71 -0.40 0.86 -2.30 -2.00 0.00 0.00 174.74 171.61 3ksy n PRO 277 N 1.42 0.41 -3.23 -0.38 -0.02 -1.26 -4.93 135.00 127.00 3ksy n PRO 277 Ca -0.14 0.19 -0.46 0.00 -2.02 0.00 0.00 63.50 61.08 3ksy n PRO 277 Cb 0.57 -2.13 -0.02 0.00 -0.02 0.00 0.00 33.50 31.91 3ksy n PRO 277 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ksy s LEU 278 N -2.49 6.25 0.00 2.45 1.43 -1.26 -4.83 118.68 120.24 3ksy s LEU 278 Ca 0.71 -2.78 0.25 0.00 -1.03 0.00 0.00 54.13 51.28 3ksy s LEU 278 Cb -0.34 -2.26 0.50 0.00 0.03 0.00 0.00 46.19 44.12 3ksy s LEU 278 CO 0.53 -0.62 1.41 1.33 0.23 0.00 0.00 176.35 179.23 3ksy n VAL 279 N 4.03 0.00 -0.26 -1.59 0.24 -1.26 -4.18 118.33 115.31 3ksy n VAL 279 Ca 0.19 -0.04 0.10 0.00 -2.04 0.00 0.00 64.34 62.55 3ksy n VAL 279 Cb 0.46 0.37 0.35 0.00 -1.47 0.00 0.00 33.84 33.54 3ksy n VAL 279 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3ksy h GLY 280 N 4.98 1.18 1.88 7.63 0.00 -1.88 -0.63 103.07 116.22 3ksy h GLY 280 Ca 0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 3ksy h GLY 280 CO 0.00 0.15 -0.34 1.48 0.00 0.00 0.00 176.54 177.83 3ksy h SER 281 N 0.76 0.14 0.08 0.19 4.64 -1.86 -2.81 113.55 114.69 3ksy h SER 281 Ca 0.41 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3ksy h SER 281 Cb 0.55 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3ksy h SER 281 CO -0.18 0.48 -0.04 0.00 -0.87 0.00 0.00 176.83 176.22 3ksy h PHE 283 N -0.18 0.71 -0.86 0.00 0.04 -1.50 -2.87 116.94 112.28 3ksy h PHE 283 Ca -0.01 -0.09 0.03 0.00 2.80 0.00 0.00 57.97 60.69 3ksy h PHE 283 Cb 0.15 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 38.06 3ksy h PHE 283 CO -0.05 0.68 0.56 1.49 -0.60 0.00 0.00 178.31 180.40 3ksy h GLU 284 N 0.63 1.06 -0.06 1.51 4.22 -1.30 1.00 114.58 121.64 3ksy h GLU 284 Ca 0.13 -0.06 -0.02 0.00 0.08 0.00 0.00 59.36 59.49 3ksy h GLU 284 Cb 0.42 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3ksy h GLU 284 CO 0.02 0.70 -0.02 -0.44 -2.18 0.00 0.00 179.01 177.08 3ksy h ASP 285 N 1.09 0.13 -0.54 1.04 5.19 -1.27 -0.57 116.42 121.49 3ksy h ASP 285 Ca 0.33 -0.40 -0.06 0.00 -0.62 0.00 0.00 57.03 56.27 3ksy h ASP 285 Cb -0.02 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.44 3ksy h ASP 285 CO -0.09 0.50 0.09 -0.07 -3.12 0.00 0.00 179.24 176.55 3ksy h LEU 286 N -0.25 0.85 -0.86 1.55 3.38 -1.41 -2.42 115.31 116.15 3ksy h LEU 286 Ca 0.01 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 3ksy h LEU 286 Cb 0.45 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3ksy h LEU 286 CO 0.01 0.90 -0.13 0.00 0.09 0.00 0.00 178.44 179.30 3ksy h ALA 287 N 0.99 1.04 0.00 1.53 0.00 -0.82 -0.94 119.26 121.05 3ksy h ALA 287 Ca 0.16 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3ksy h ALA 287 Cb 0.41 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ksy h ALA 287 CO 0.01 0.58 -0.28 1.49 0.00 0.00 0.00 179.25 181.05 3ksy h GLU 288 N 0.64 0.00 -0.07 0.00 4.81 -0.88 -1.49 114.58 117.59 3ksy h GLU 288 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3ksy h GLU 288 Cb 0.59 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.97 3ksy h GLU 288 CO 0.04 0.28 0.00 0.39 -0.73 0.00 0.00 179.01 178.99 3ksy n GLU 289 N -3.98 1.88 -3.81 1.92 -0.58 -0.93 -4.95 120.64 110.18 3ksy n GLU 289 Ca -0.02 -1.28 -0.25 0.00 -0.42 0.00 0.00 57.16 55.19 3ksy n GLU 289 Cb 0.35 -1.46 0.02 0.00 -0.57 0.00 0.00 31.44 29.78 3ksy n GLU 289 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3ksy n LEU 290 N 0.54 -2.80 0.22 -4.62 4.77 -0.56 -4.85 117.00 109.69 3ksy n LEU 290 Ca 0.17 -0.82 0.15 0.00 -0.03 0.00 0.00 56.01 55.48 3ksy n LEU 290 Cb 0.42 -2.58 0.56 0.00 -2.33 0.00 0.00 43.42 39.49 3ksy n LEU 290 CO 0.15 0.43 0.93 0.00 -1.33 0.00 0.00 177.39 177.58 3ksy h ALA 291 N 0.90 1.00 -0.48 -1.18 0.00 -1.44 -2.96 119.26 115.10 3ksy h ALA 291 Ca -0.60 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.05 3ksy h ALA 291 Cb 1.37 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 19.01 3ksy h ALA 291 CO 0.61 0.00 0.33 1.19 0.00 0.00 0.00 179.25 181.39 3ksy n PHE 292 N -2.79 1.48 -0.03 0.00 3.72 -1.26 -4.13 117.46 114.45 3ksy n PHE 292 Ca 0.02 -1.28 -0.21 0.00 -0.05 0.00 0.00 57.45 55.92 3ksy n PHE 292 Cb 0.31 -0.64 -0.13 0.00 -0.94 0.00 0.00 39.48 38.08 3ksy n PHE 292 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3ksy h ASP 293 N 0.64 0.26 -0.15 4.37 5.19 -1.91 -3.36 116.42 121.46 3ksy h ASP 293 Ca 0.30 -0.78 0.04 0.00 -0.62 0.00 0.00 57.03 55.98 3ksy h ASP 293 Cb 1.74 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 41.16 3ksy h ASP 293 CO 0.57 1.64 0.27 -0.65 -3.12 0.00 0.00 179.24 177.95 3ksy h PRO 294 N -0.43 0.00 -0.46 3.56 0.11 -1.85 0.24 132.00 133.17 3ksy h PRO 294 Ca -0.35 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.66 3ksy h PRO 294 Cb 1.68 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.78 3ksy h PRO 294 CO -0.02 0.00 -0.11 1.88 -0.21 0.00 0.00 178.00 179.54 3ksy h TYR 295 N 0.00 0.93 -0.01 0.65 -1.99 -1.85 -0.55 116.97 114.15 3ksy h TYR 295 Ca 0.07 -0.18 -0.00 0.00 2.00 0.00 0.00 58.73 60.62 3ksy h TYR 295 Cb 0.61 -0.24 -0.00 0.00 2.00 0.00 0.00 36.73 39.10 3ksy h TYR 295 CO 0.00 0.91 -0.01 1.49 -0.00 0.00 0.00 178.16 180.55 3ksy h GLU 296 N 0.76 0.03 -0.80 4.88 4.81 -0.69 0.13 114.58 123.69 3ksy h GLU 296 Ca 0.13 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.45 3ksy h GLU 296 Cb 0.62 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.94 3ksy h GLU 296 CO 0.04 0.43 0.52 0.77 -0.73 0.00 0.00 179.01 180.04 3ksy h SER 297 N -0.38 0.63 -0.02 1.04 0.02 -1.43 -2.35 113.55 111.07 3ksy h SER 297 Ca 0.00 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3ksy h SER 297 Cb 0.42 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3ksy h SER 297 CO 0.00 0.36 -0.07 0.22 -1.14 0.00 0.00 176.83 176.21 3ksy h TYR 298 N 0.69 0.10 -0.10 3.45 5.03 -0.90 -2.85 116.97 122.39 3ksy h TYR 298 Ca 0.38 -0.04 0.03 0.00 2.58 0.00 0.00 58.73 61.68 3ksy h TYR 298 Cb 0.53 -0.02 -0.00 0.00 1.55 0.00 0.00 36.73 38.79 3ksy h TYR 298 CO -0.00 0.70 0.11 0.00 -1.32 0.00 0.00 178.16 177.65 3ksy h ALA 299 N 0.38 1.74 0.00 1.82 0.00 -0.34 -2.57 119.26 120.29 3ksy h ALA 299 Ca -0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3ksy h ALA 299 Cb 0.71 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3ksy h ALA 299 CO 0.01 -0.16 -0.30 0.00 0.00 0.00 0.00 179.25 178.81 3ksy h ARG 300 N 0.00 0.00 0.00 0.00 3.08 -1.47 -3.09 114.38 112.90 3ksy h ARG 300 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3ksy h ARG 300 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3ksy h ARG 300 CO -0.00 0.76 0.01 -0.25 -1.07 0.00 0.00 179.97 179.41 3ksy n ASP 301 N -4.60 0.00 -0.07 7.04 8.00 -1.00 -1.84 116.55 124.08 3ksy n ASP 301 Ca -0.13 0.44 -0.07 0.00 0.71 0.00 0.00 54.79 55.74 3ksy n ASP 301 Cb 0.42 -0.44 -0.10 0.00 -0.02 0.00 0.00 41.12 40.98 3ksy n ASP 301 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3ksy n ILE 302 N -1.44 0.91 0.17 0.53 2.08 -1.01 -4.47 119.36 116.13 3ksy n ILE 302 Ca 0.00 -0.53 0.10 0.00 0.56 0.00 0.00 62.75 62.88 3ksy n ILE 302 Cb 0.01 -0.71 0.26 0.00 -0.75 0.00 0.00 39.64 38.45 3ksy n ILE 302 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 3ksy n LEU 303 N -2.55 3.15 -4.75 1.39 4.77 -0.77 -4.91 117.00 113.32 3ksy n LEU 303 Ca -0.22 -1.55 -0.38 0.00 -0.03 0.00 0.00 56.01 53.83 3ksy n LEU 303 Cb 0.91 -0.37 0.03 0.00 -2.33 0.00 0.00 43.42 41.66 3ksy n LEU 303 CO 0.26 0.77 0.93 -0.13 -1.33 0.00 0.00 177.39 177.90 3ksy s ARG 304 N -1.25 3.22 0.36 3.23 0.52 -0.77 -4.70 118.95 119.56 3ksy s ARG 304 Ca 0.40 2.07 0.06 0.00 -0.52 0.00 0.00 55.73 57.74 3ksy s ARG 304 Cb 0.21 -2.22 0.69 0.00 0.52 0.00 0.00 34.95 34.15 3ksy s ARG 304 CO 0.28 -1.08 1.92 -1.35 0.02 0.00 0.00 175.30 175.09 3ksy h PRO 305 N 1.46 0.47 -1.48 3.54 0.11 -1.92 -3.10 132.00 131.08 3ksy h PRO 305 Ca -0.50 -0.09 -0.72 0.00 0.11 0.00 0.00 66.00 64.80 3ksy h PRO 305 Cb 1.29 -0.08 -0.28 0.00 0.11 0.00 0.00 31.00 32.04 3ksy h PRO 305 CO 0.57 0.48 0.92 0.41 -0.21 0.00 0.00 178.00 180.17 3ksy n GLY 306 N -1.00 5.72 0.11 -0.55 0.00 -1.26 -4.55 105.19 103.66 3ksy n GLY 306 Ca 0.01 -2.40 -0.15 0.00 0.00 0.00 0.00 46.02 43.48 3ksy n GLY 306 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3ksy n PHE 307 N -0.73 0.01 -0.12 1.61 7.35 -1.17 -3.99 117.46 120.42 3ksy n PHE 307 Ca 0.58 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 57.40 3ksy n PHE 307 Cb 0.46 -0.66 0.49 0.00 0.35 0.00 0.00 39.48 40.13 3ksy n PHE 307 CO 0.00 0.00 0.00 1.12 -0.76 0.00 0.00 176.76 177.12 3ksy h HIS 308 N -1.00 0.47 0.90 -5.13 2.07 -1.82 -0.17 115.15 110.47 3ksy h HIS 308 Ca -0.22 0.01 -0.04 0.00 -2.85 0.00 0.00 60.37 57.27 3ksy h HIS 308 Cb 1.19 -0.15 0.01 0.00 2.57 0.00 0.00 27.41 31.02 3ksy h HIS 308 CO -0.32 0.21 -0.43 -0.44 -3.07 0.00 0.00 177.93 173.87 3ksy h ASP 309 N 0.43 -1.03 -0.66 3.10 3.32 -1.84 0.88 116.42 120.63 3ksy h ASP 309 Ca 0.31 0.03 0.12 0.00 0.02 0.00 0.00 57.03 57.52 3ksy h ASP 309 Cb 0.63 0.27 -0.04 0.00 0.22 0.00 0.00 39.33 40.40 3ksy h ASP 309 CO -0.09 -0.69 0.44 0.03 -1.72 0.00 0.00 179.24 177.21 3ksy h ARG 310 N -1.30 0.36 0.29 3.56 3.08 -1.59 0.21 114.38 119.00 3ksy h ARG 310 Ca -0.12 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 3ksy h ARG 310 Cb 0.93 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3ksy h ARG 310 CO 0.20 0.24 -0.14 0.35 -1.07 0.00 0.00 179.97 179.55 3ksy h PHE 311 N 0.37 -0.37 -0.20 3.04 3.57 -0.76 -2.77 116.94 119.83 3ksy h PHE 311 Ca 0.31 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.86 3ksy h PHE 311 Cb 0.71 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 3ksy h PHE 311 CO -0.00 -0.23 0.17 -0.07 -2.23 0.00 0.00 178.31 175.95 3ksy h LEU 312 N -0.57 0.00 -0.69 0.59 4.07 -0.69 0.42 115.31 118.45 3ksy h LEU 312 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 3ksy h LEU 312 Cb 0.30 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.04 3ksy h LEU 312 CO 0.07 0.00 0.00 -1.20 -1.08 0.00 0.00 178.44 176.23 3ksy n SER 313 N -4.23 0.96 -0.04 -0.43 7.64 0.05 -3.40 113.62 114.17 3ksy n SER 313 Ca 0.02 -2.03 -0.02 0.00 1.01 0.00 0.00 58.87 57.85 3ksy n SER 313 Cb 0.30 -0.16 -0.08 0.00 -1.01 0.00 0.00 64.21 63.26 3ksy n SER 313 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 3ksy n GLN 314 N -0.04 1.85 -0.15 1.43 -0.06 0.15 -4.39 117.38 116.18 3ksy n GLN 314 Ca 0.05 -0.03 0.11 0.00 -2.00 0.00 0.00 57.00 55.13 3ksy n GLN 314 Cb 0.17 -1.25 0.26 0.00 -4.06 0.00 0.00 30.24 25.36 3ksy n GLN 314 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 3ksy n LEU 315 N -2.23 2.84 -0.05 1.69 4.32 -1.17 -4.15 117.00 118.25 3ksy n LEU 315 Ca -0.12 -1.20 -0.02 0.00 -0.02 0.00 0.00 56.01 54.64 3ksy n LEU 315 Cb 0.67 -0.19 -0.12 0.00 -1.62 0.00 0.00 43.42 42.16 3ksy n LEU 315 CO 0.21 0.60 -0.89 -1.54 -1.22 0.00 0.00 177.39 174.55 3ksy n SER 316 N 1.10 1.33 -4.66 -1.43 3.41 -1.23 -3.68 113.62 108.46 3ksy n SER 316 Ca 0.18 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.44 3ksy n SER 316 Cb 0.51 1.15 0.10 0.00 -0.26 0.00 0.00 64.21 65.72 3ksy n SER 316 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3ksy n LYS 317 N -2.39 0.44 -1.64 4.33 2.85 -1.26 -4.75 118.16 115.74 3ksy n LYS 317 Ca -0.17 0.22 -0.46 0.00 -1.05 0.00 0.00 58.31 56.84 3ksy n LYS 317 Cb 0.80 -2.36 -0.03 0.00 -0.65 0.00 0.00 35.03 32.79 3ksy n LYS 317 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3ksy n PRO 318 N -2.49 1.72 0.00 -1.58 -0.02 -1.26 -1.88 135.00 129.50 3ksy n PRO 318 Ca 0.14 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3ksy n PRO 318 Cb 0.50 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3ksy n PRO 318 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ksy n GLY 319 N 2.00 2.69 0.10 -1.23 0.00 -1.26 -4.85 105.19 102.64 3ksy n GLY 319 Ca 0.12 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 3ksy n GLY 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ksy h ALA 320 N 0.00 -0.13 0.00 4.61 0.00 -1.69 -1.14 119.26 120.91 3ksy h ALA 320 Ca 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3ksy h ALA 320 Cb 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3ksy h ALA 320 CO 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 179.25 178.83 3ksy h ALA 321 N 0.36 1.33 0.07 0.00 0.00 -1.67 -2.30 119.26 117.04 3ksy h ALA 321 Ca -0.01 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.54 3ksy h ALA 321 Cb 0.41 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3ksy h ALA 321 CO 0.02 0.03 -1.90 1.28 0.00 0.00 0.00 179.25 178.68 3ksy n LEU 322 N -3.58 1.88 -0.04 0.00 4.77 -1.16 -3.97 117.00 114.90 3ksy n LEU 322 Ca -0.03 0.28 -0.08 0.00 -0.03 0.00 0.00 56.01 56.15 3ksy n LEU 322 Cb 0.11 -0.56 0.08 0.00 -2.33 0.00 0.00 43.42 40.72 3ksy n LEU 322 CO 0.26 0.66 0.60 0.22 -1.33 0.00 0.00 177.39 177.80 3ksy h TYR 323 N 0.04 0.78 -0.47 -1.77 3.20 -0.83 -2.54 116.97 115.38 3ksy h TYR 323 Ca -0.38 -0.22 -0.05 0.00 3.14 0.00 0.00 58.73 61.22 3ksy h TYR 323 Cb 2.03 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 40.11 3ksy h TYR 323 CO 0.04 0.94 0.08 -0.07 -1.64 0.00 0.00 178.16 177.51 3ksy h LEU 324 N 0.54 0.67 -0.17 2.82 3.38 -1.60 -2.64 115.31 118.32 3ksy h LEU 324 Ca 0.05 -0.12 -0.23 0.00 0.09 0.00 0.00 57.88 57.67 3ksy h LEU 324 Cb 0.90 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.48 3ksy h LEU 324 CO 0.08 0.69 -0.91 1.56 0.09 0.00 0.00 178.44 179.95 3ksy h GLN 325 N 0.69 0.52 -0.67 1.13 4.20 -1.66 -3.26 115.11 116.07 3ksy h GLN 325 Ca 0.15 -0.52 -0.05 0.00 0.06 0.00 0.00 58.65 58.29 3ksy h GLN 325 Cb 0.32 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 3ksy h GLN 325 CO 0.00 1.15 0.21 0.66 -0.67 0.00 0.00 178.83 180.18 3ksy h SER 326 N 0.31 0.95 -0.91 1.46 4.64 -1.25 -2.81 113.55 115.94 3ksy h SER 326 Ca -0.08 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 3ksy h SER 326 Cb 1.54 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 63.34 3ksy h SER 326 CO 0.17 0.89 0.52 0.40 -0.87 0.00 0.00 176.83 177.94 3ksy h ILE 327 N 0.99 1.26 -1.97 0.95 1.08 -1.52 -3.46 117.51 114.83 3ksy h ILE 327 Ca 0.22 -0.61 0.12 0.00 -0.39 0.00 0.00 64.86 64.20 3ksy h ILE 327 Cb 0.28 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 33.85 3ksy h ILE 327 CO -0.01 0.28 0.56 -0.83 -0.69 0.00 0.00 178.15 177.46 3ksy s GLY 328 N -3.23 -0.39 -0.17 5.37 0.00 -1.06 -5.08 107.32 102.76 3ksy s GLY 328 Ca -0.13 1.37 -0.28 0.00 0.00 0.00 0.00 44.72 45.69 3ksy s GLY 328 CO 0.83 0.55 0.95 -0.54 0.00 0.00 0.00 173.10 174.88 3ksy s GLU 329 N -2.49 4.32 0.00 2.90 2.02 -1.26 -3.09 118.70 121.10 3ksy s GLU 329 Ca 0.04 1.24 0.00 0.00 0.02 0.00 0.00 54.97 56.26 3ksy s GLU 329 Cb -0.01 -3.59 0.00 0.00 0.10 0.00 0.00 34.13 30.63 3ksy s GLU 329 CO -0.06 -0.43 0.00 0.41 0.02 0.00 0.00 175.26 175.21 3ksy n GLY 330 N 3.32 1.39 0.13 -1.39 0.00 -1.26 -4.92 105.19 102.45 3ksy n GLY 330 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 3ksy n GLY 330 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3ksy h PHE 331 N 0.00 -0.17 -0.87 1.61 3.57 -1.79 -2.82 116.94 116.47 3ksy h PHE 331 Ca 0.00 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.63 3ksy h PHE 331 Cb 0.00 0.11 -0.08 0.00 2.79 0.00 0.00 35.95 38.77 3ksy h PHE 331 CO 0.00 -0.12 0.51 -0.22 -2.23 0.00 0.00 178.31 176.24 3ksy h LYS 332 N -0.05 0.79 -0.93 1.11 3.64 -1.81 -2.30 116.57 117.02 3ksy h LYS 332 Ca 0.10 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3ksy h LYS 332 Cb 0.19 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 3ksy h LYS 332 CO -0.22 0.52 0.55 0.93 -2.27 0.00 0.00 179.45 178.96 3ksy h GLU 333 N 0.81 1.27 -0.03 1.90 3.07 -1.90 -2.63 114.58 117.06 3ksy h GLU 333 Ca 0.43 -0.12 -0.23 0.00 -0.50 0.00 0.00 59.36 58.94 3ksy h GLU 333 Cb 0.45 -0.26 0.02 0.00 -0.84 0.00 0.00 28.75 28.11 3ksy h GLU 333 CO -0.27 0.89 -0.89 0.00 -1.40 0.00 0.00 179.01 177.34 3ksy h ALA 334 N 1.32 0.15 0.00 3.43 0.00 -1.42 -1.16 119.26 121.58 3ksy h ALA 334 Ca 0.33 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3ksy h ALA 334 Cb -0.04 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3ksy h ALA 334 CO -0.06 0.61 -0.01 0.28 0.00 0.00 0.00 179.25 180.07 3ksy h VAL 335 N 0.32 0.27 0.00 0.00 2.07 -1.29 0.45 116.25 118.07 3ksy h VAL 335 Ca -0.10 -0.05 -0.37 0.00 0.82 0.00 0.00 66.70 67.00 3ksy h VAL 335 Cb 1.55 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 32.28 3ksy h VAL 335 CO 0.18 0.01 -2.40 1.67 0.02 0.00 0.00 177.57 177.04 3ksy n GLN 336 N -3.46 0.70 -0.05 1.57 7.27 -1.00 -4.22 117.38 118.18 3ksy n GLN 336 Ca -0.03 0.05 0.03 0.00 0.07 0.00 0.00 57.00 57.12 3ksy n GLN 336 Cb 0.09 -1.51 0.06 0.00 2.41 0.00 0.00 30.24 31.29 3ksy n GLN 336 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3ksy n TYR 337 N -2.94 0.14 0.00 3.69 4.01 -0.45 -4.78 117.16 116.83 3ksy n TYR 337 Ca -0.38 -0.29 0.00 0.00 -0.16 0.00 0.00 57.90 57.07 3ksy n TYR 337 Cb 1.08 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 3ksy n TYR 337 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3ksy n VAL 338 N 0.16 0.00 -0.27 -0.72 0.31 0.14 -3.76 118.33 114.19 3ksy n VAL 338 Ca 0.05 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.47 3ksy n VAL 338 Cb 0.26 -0.59 0.22 0.00 -0.91 0.00 0.00 33.84 32.82 3ksy n VAL 338 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3ksy h LEU 339 N 0.00 -0.10 -0.98 7.52 5.85 -1.24 0.87 115.31 127.23 3ksy h LEU 339 Ca 0.00 0.18 0.14 0.00 0.84 0.00 0.00 57.88 59.05 3ksy h LEU 339 Cb 0.27 0.27 -0.09 0.00 0.37 0.00 0.00 40.66 41.48 3ksy h LEU 339 CO 0.00 -0.13 0.60 -0.65 -0.34 0.00 0.00 178.44 177.92 3ksy h PRO 340 N 0.20 0.85 -0.04 5.25 0.11 -1.85 -0.58 132.00 135.93 3ksy h PRO 340 Ca 0.48 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.41 3ksy h PRO 340 Cb 0.89 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 3ksy h PRO 340 CO -0.62 0.56 -0.56 0.00 -0.21 0.00 0.00 178.00 177.18 3ksy h ARG 341 N 0.88 0.12 0.00 1.05 -0.00 -1.18 -2.96 114.38 112.29 3ksy h ARG 341 Ca 0.51 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.98 59.83 3ksy h ARG 341 Cb 0.62 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.59 3ksy h ARG 341 CO -0.31 0.64 -0.46 -0.07 0.00 0.00 0.00 179.97 179.78 3ksy h LEU 342 N 0.09 0.00 0.00 3.04 3.38 -0.56 -2.78 115.31 118.48 3ksy h LEU 342 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ksy h LEU 342 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3ksy h LEU 342 CO 0.08 0.46 0.00 0.18 0.09 0.00 0.00 178.44 179.24 3ksy n LEU 343 N -3.68 0.00 -0.01 1.67 4.77 -0.55 -2.86 117.00 116.35 3ksy n LEU 343 Ca -0.01 0.49 0.13 0.00 -0.03 0.00 0.00 56.01 56.59 3ksy n LEU 343 Cb 0.53 -0.49 0.43 0.00 -2.33 0.00 0.00 43.42 41.56 3ksy n LEU 343 CO 0.39 -0.10 0.70 0.18 -1.33 0.00 0.00 177.39 177.23 3ksy n LEU 344 N -1.49 0.29 0.02 2.23 4.77 -1.05 -4.20 117.00 117.57 3ksy n LEU 344 Ca 0.06 0.21 -0.12 0.00 -0.03 0.00 0.00 56.01 56.14 3ksy n LEU 344 Cb 0.27 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 3ksy n LEU 344 CO 0.22 0.07 0.88 0.00 -1.33 0.00 0.00 177.39 177.22 3ksy h ALA 345 N 3.04 0.06 -0.04 -1.18 0.00 -1.67 -2.60 119.26 116.87 3ksy h ALA 345 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ksy h ALA 345 Cb 0.49 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3ksy h ALA 345 CO 0.00 -0.43 0.21 -1.35 0.00 0.00 0.00 179.25 177.67 3ksy h PRO 346 N 0.04 0.00 0.27 0.00 0.11 -1.82 -0.68 132.00 129.92 3ksy h PRO 346 Ca 0.02 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 3ksy h PRO 346 Cb 0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.13 3ksy h PRO 346 CO -0.00 0.00 -0.13 0.28 -0.21 0.00 0.00 178.00 177.94 3ksy h VAL 347 N 0.00 0.00 -0.88 3.15 2.07 -1.73 -2.04 116.25 116.82 3ksy h VAL 347 Ca 0.02 -0.37 0.14 0.00 0.82 0.00 0.00 66.70 67.32 3ksy h VAL 347 Cb 0.43 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.13 3ksy h VAL 347 CO -0.00 0.00 0.57 1.88 0.02 0.00 0.00 177.57 180.04 3ksy h TYR 348 N -0.73 0.79 -0.26 1.57 0.05 -1.46 -1.18 116.97 115.75 3ksy h TYR 348 Ca -0.04 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 3ksy h TYR 348 Cb 0.28 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 3ksy h TYR 348 CO 0.04 0.29 0.13 1.25 -1.05 0.00 0.00 178.16 178.82 3ksy h HIS 349 N 0.67 0.37 -0.38 4.88 2.76 -1.20 -2.17 115.15 120.09 3ksy h HIS 349 Ca 0.44 -0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.50 3ksy h HIS 349 Cb 0.73 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.56 3ksy h HIS 349 CO -0.00 0.34 -0.16 0.00 -1.30 0.00 0.00 177.93 176.81 3ksy h LEU 351 N 0.63 0.00 -0.39 0.00 3.38 -1.10 -2.68 115.31 115.15 3ksy h LEU 351 Ca 0.10 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 3ksy h LEU 351 Cb 0.63 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3ksy h LEU 351 CO 0.04 0.00 -0.63 -0.74 0.09 0.00 0.00 178.44 177.20 3ksy h HIS 352 N 0.00 0.00 0.24 1.13 2.76 -0.72 -3.24 115.15 115.32 3ksy h HIS 352 Ca 0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 3ksy h HIS 352 Cb 0.41 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.37 3ksy h HIS 352 CO 0.00 0.63 -0.11 1.88 -1.30 0.00 0.00 177.93 179.03 3ksy h TYR 353 N 0.00 -0.30 -0.36 5.26 -1.99 -1.45 -2.50 116.97 115.63 3ksy h TYR 353 Ca -0.01 -0.01 0.04 0.00 2.00 0.00 0.00 58.73 60.76 3ksy h TYR 353 Cb 1.31 0.10 -0.04 0.00 2.00 0.00 0.00 36.73 40.10 3ksy h TYR 353 CO 0.00 -0.11 0.12 0.74 -0.00 0.00 0.00 178.16 178.91 3ksy h PHE 354 N -0.42 0.22 0.00 4.88 0.04 -1.66 0.18 116.94 120.18 3ksy h PHE 354 Ca -0.03 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3ksy h PHE 354 Cb 0.32 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.42 3ksy h PHE 354 CO -0.03 0.09 0.00 -0.85 -0.60 0.00 0.00 178.31 176.92 3ksy n GLU 355 N -5.02 0.17 -0.13 1.51 0.28 -1.22 -3.08 120.64 113.16 3ksy n GLU 355 Ca 0.01 0.14 -0.21 0.00 -0.16 0.00 0.00 57.16 56.95 3ksy n GLU 355 Cb 0.13 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.38 3ksy n GLU 355 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3ksy n LEU 356 N -1.36 2.73 -0.01 -1.84 0.00 -0.04 -4.20 117.00 112.28 3ksy n LEU 356 Ca 0.07 -0.01 0.07 0.00 0.00 0.00 0.00 56.01 56.13 3ksy n LEU 356 Cb 0.17 -0.90 0.46 0.00 0.00 0.00 0.00 43.42 43.15 3ksy n LEU 356 CO 0.15 0.85 1.17 -0.07 0.00 0.00 0.00 177.39 179.48 3ksy h LEU 357 N -0.24 0.41 -1.42 -1.96 3.38 -0.69 -0.04 115.31 114.77 3ksy h LEU 357 Ca -0.60 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.32 3ksy h LEU 357 Cb 1.83 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 3ksy h LEU 357 CO -0.16 0.29 -0.20 0.11 0.09 0.00 0.00 178.44 178.56 3ksy h LYS 358 N 0.48 0.00 0.00 1.13 1.57 -1.74 -1.27 116.57 116.73 3ksy h LYS 358 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3ksy h LYS 358 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3ksy h LYS 358 CO -0.04 0.20 -0.02 1.96 -0.57 0.00 0.00 179.45 180.97 3ksy h GLN 359 N 0.00 0.00 0.07 3.15 4.20 -1.18 -3.11 115.11 118.24 3ksy h GLN 359 Ca -0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 3ksy h GLN 359 Cb 0.60 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 3ksy h GLN 359 CO 0.03 0.00 -0.83 -0.07 -0.67 0.00 0.00 178.83 177.29 3ksy h LEU 360 N 0.00 0.22 -1.59 1.46 3.38 -0.89 -3.07 115.31 114.83 3ksy h LEU 360 Ca 0.00 -0.86 -0.04 0.00 0.09 0.00 0.00 57.88 57.07 3ksy h LEU 360 Cb 0.79 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3ksy h LEU 360 CO 0.00 1.36 -0.20 -0.08 0.09 0.00 0.00 178.44 179.61 3ksy h GLU 361 N -0.64 0.01 0.08 1.13 4.22 -1.52 0.33 114.58 118.18 3ksy h GLU 361 Ca -0.18 -0.00 -0.25 0.00 0.08 0.00 0.00 59.36 59.00 3ksy h GLU 361 Cb 1.43 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.68 3ksy h GLU 361 CO 0.02 0.21 -1.13 1.49 -2.18 0.00 0.00 179.01 177.42 3ksy h GLU 362 N 0.01 0.31 -0.37 1.92 4.81 -1.67 -3.32 114.58 116.26 3ksy h GLU 362 Ca -0.00 -0.45 -0.10 0.00 -0.13 0.00 0.00 59.36 58.69 3ksy h GLU 362 Cb 0.36 0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.84 3ksy h GLU 362 CO 0.03 1.17 0.03 1.63 -0.73 0.00 0.00 179.01 181.14 3ksy n LYS 363 N -3.61 2.69 -2.61 1.92 5.02 -1.01 -4.99 118.16 115.57 3ksy n LYS 363 Ca -0.08 -2.99 -0.42 0.00 -2.02 0.00 0.00 58.31 52.80 3ksy n LYS 363 Cb 0.95 -1.90 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 3ksy n LYS 363 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3ksy s SER 364 N -1.98 7.19 0.00 4.39 1.04 0.07 -4.82 113.70 119.60 3ksy s SER 364 Ca 0.45 1.64 0.21 0.00 0.48 0.00 0.00 55.95 58.73 3ksy s SER 364 Cb 0.38 -2.56 0.57 0.00 0.10 0.00 0.00 66.02 64.51 3ksy s SER 364 CO 0.07 -0.47 1.46 -0.62 0.98 0.00 0.00 173.24 174.66 3ksy n GLU 365 N 4.93 2.10 -4.71 4.02 -0.58 -1.26 -4.88 120.64 120.26 3ksy n GLU 365 Ca 0.09 -1.66 -0.25 0.00 -0.42 0.00 0.00 57.16 54.92 3ksy n GLU 365 Cb 0.48 -1.44 -0.15 0.00 -0.57 0.00 0.00 31.44 29.77 3ksy n GLU 365 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3ksy s ASP 366 N -1.46 2.23 -0.06 1.62 2.15 -1.26 -5.06 116.67 114.83 3ksy s ASP 366 Ca 0.35 -0.43 -0.20 0.00 0.43 0.00 0.00 52.55 52.69 3ksy s ASP 366 Cb 0.19 -0.21 -0.16 0.00 -0.30 0.00 0.00 42.92 42.45 3ksy s ASP 366 CO 0.28 0.17 0.81 -0.61 -0.17 0.00 0.00 175.17 175.65 3ksy h GLN 367 N 5.22 -0.18 -0.34 4.34 5.75 -1.99 -2.71 115.11 125.20 3ksy h GLN 367 Ca -0.40 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.10 3ksy h GLN 367 Cb 1.16 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.73 3ksy h GLN 367 CO 0.46 0.27 0.15 1.49 -2.65 0.00 0.00 178.83 178.54 3ksy h GLU 368 N -0.88 0.47 -0.17 1.69 4.81 -2.00 -2.23 114.58 116.28 3ksy h GLU 368 Ca -0.02 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3ksy h GLU 368 Cb 0.53 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 3ksy h GLU 368 CO 0.03 0.39 0.01 0.22 -0.73 0.00 0.00 179.01 178.93 3ksy h ASP 369 N 0.48 0.27 0.31 1.04 3.58 -1.99 -2.87 116.42 117.25 3ksy h ASP 369 Ca 0.12 -0.28 -0.02 0.00 0.42 0.00 0.00 57.03 57.27 3ksy h ASP 369 Cb 0.08 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.06 3ksy h ASP 369 CO -0.01 0.49 -0.09 0.50 -2.88 0.00 0.00 179.24 177.24 3ksy h LYS 370 N 0.05 0.00 -0.44 0.28 3.64 -1.11 -2.09 116.57 116.90 3ksy h LYS 370 Ca 0.05 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 3ksy h LYS 370 Cb 0.34 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3ksy h LYS 370 CO 0.01 0.09 -0.20 0.93 -2.27 0.00 0.00 179.45 178.01 3ksy h GLU 371 N 0.00 0.88 0.00 1.90 4.39 -1.19 -2.56 114.58 118.00 3ksy h GLU 371 Ca -0.00 -0.35 -0.06 0.00 0.34 0.00 0.00 59.36 59.29 3ksy h GLU 371 Cb 0.27 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3ksy h GLU 371 CO 0.01 0.99 -0.27 0.00 -1.16 0.00 0.00 179.01 178.58 3ksy h LEU 373 N 0.00 0.77 -0.52 0.00 3.38 -1.20 -2.28 115.31 115.45 3ksy h LEU 373 Ca -0.00 -0.52 -0.06 0.00 0.09 0.00 0.00 57.88 57.39 3ksy h LEU 373 Cb 0.94 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3ksy h LEU 373 CO 0.04 1.13 0.09 0.11 0.09 0.00 0.00 178.44 179.90 3ksy h LYS 374 N 0.42 0.87 0.00 1.13 1.57 -1.44 -1.22 116.57 117.89 3ksy h LYS 374 Ca 0.02 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 3ksy h LYS 374 Cb 0.97 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 3ksy h LYS 374 CO 0.09 0.85 -0.14 1.96 -0.57 0.00 0.00 179.45 181.63 3ksy h GLN 375 N 0.75 0.00 0.01 3.15 4.20 -1.51 -0.61 115.11 121.10 3ksy h GLN 375 Ca 0.16 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 3ksy h GLN 375 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3ksy h GLN 375 CO 0.01 0.14 -0.00 0.00 -0.67 0.00 0.00 178.83 178.30 3ksy h ALA 376 N 1.86 -0.01 -0.51 3.87 0.00 -1.00 -2.85 119.26 120.62 3ksy h ALA 376 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3ksy h ALA 376 Cb 0.29 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3ksy h ALA 376 CO 0.02 -0.06 0.26 0.82 0.00 0.00 0.00 179.25 180.29 3ksy h ILE 377 N -0.91 1.17 -0.40 0.00 2.04 -1.10 -1.77 117.51 116.54 3ksy h ILE 377 Ca -0.00 -0.45 -0.15 0.00 1.00 0.00 0.00 64.86 65.26 3ksy h ILE 377 Cb 0.82 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3ksy h ILE 377 CO 0.00 0.19 -0.34 0.74 0.00 0.00 0.00 178.15 178.75 3ksy h THR 378 N 0.71 1.27 0.00 -0.27 2.02 -1.22 -2.18 112.91 113.24 3ksy h THR 378 Ca 0.18 -1.51 0.00 0.00 0.77 0.00 0.00 66.41 65.85 3ksy h THR 378 Cb 0.05 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3ksy h THR 378 CO -0.03 0.51 0.00 0.00 0.37 0.00 0.00 175.52 176.37 3ksy n ALA 379 N -2.53 1.96 -0.42 6.16 0.00 -0.97 -2.50 120.51 122.21 3ksy n ALA 379 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.51 3ksy n ALA 379 Cb 0.52 -1.40 0.23 0.00 0.00 0.00 0.00 19.45 18.80 3ksy n ALA 379 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ksy n LEU 380 N -2.03 3.56 -0.13 0.00 4.77 -0.70 -4.51 117.00 117.96 3ksy n LEU 380 Ca 0.04 -2.24 -0.12 0.00 -0.03 0.00 0.00 56.01 53.66 3ksy n LEU 380 Cb 0.30 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 3ksy n LEU 380 CO 0.23 0.78 0.63 -0.07 -1.33 0.00 0.00 177.39 177.63 3ksy h LEU 381 N 2.70 0.88 -1.17 2.23 3.38 -1.09 0.45 115.31 122.69 3ksy h LEU 381 Ca 0.00 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.47 3ksy h LEU 381 Cb 1.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3ksy h LEU 381 CO 0.08 1.11 -0.19 0.78 0.09 0.00 0.00 178.44 180.31 3ksy h ASN 382 N 0.65 0.33 0.40 -0.43 2.35 -1.79 0.23 115.58 117.32 3ksy h ASN 382 Ca 0.08 -0.09 -0.32 0.00 -0.55 0.00 0.00 56.30 55.42 3ksy h ASN 382 Cb 0.81 -0.09 0.02 0.00 0.05 0.00 0.00 38.32 39.11 3ksy h ASN 382 CO 0.07 0.54 -1.44 0.58 -1.65 0.00 0.00 177.43 175.53 3ksy h VAL 383 N 0.32 1.30 0.44 2.81 2.07 -1.82 -2.86 116.25 118.52 3ksy h VAL 383 Ca 0.06 -2.81 -0.02 0.00 0.82 0.00 0.00 66.70 64.74 3ksy h VAL 383 Cb 0.52 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 3ksy h VAL 383 CO 0.03 0.84 -0.21 -0.61 0.02 0.00 0.00 177.57 177.65 3ksy h GLN 384 N 0.11 -0.57 -0.31 1.57 4.15 -0.76 -2.50 115.11 116.81 3ksy h GLN 384 Ca -0.23 0.04 0.09 0.00 0.77 0.00 0.00 58.65 59.32 3ksy h GLN 384 Cb 2.09 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 29.89 3ksy h GLN 384 CO 0.23 -0.26 0.25 0.66 -1.93 0.00 0.00 178.83 177.78 3ksy h SER 385 N -0.90 0.00 0.34 -0.69 4.64 -1.10 0.12 113.55 115.97 3ksy h SER 385 Ca -0.06 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 3ksy h SER 385 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3ksy h SER 385 CO 0.10 0.00 -0.16 1.23 -0.87 0.00 0.00 176.83 177.12 3ksy h GLY 386 N 0.00 -0.48 1.66 -0.77 0.00 -1.36 -3.12 103.07 99.00 3ksy h GLY 386 Ca 0.14 0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.60 3ksy h GLY 386 CO -0.00 -0.17 -0.06 -0.33 0.00 0.00 0.00 176.54 175.98 3ksy h MET 387 N -0.58 0.42 -0.01 4.80 2.86 -1.14 -0.61 114.93 120.66 3ksy h MET 387 Ca -0.05 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3ksy h MET 387 Cb 0.35 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 3ksy h MET 387 CO 0.08 0.50 0.06 1.49 1.06 0.00 0.00 176.91 180.09 3ksy h GLU 388 N 0.40 0.00 0.00 1.72 4.81 -0.85 0.29 114.58 120.95 3ksy h GLU 388 Ca 0.08 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.06 3ksy h GLU 388 Cb 0.36 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.69 3ksy h GLU 388 CO 0.02 0.00 -2.17 1.17 -0.73 0.00 0.00 179.01 177.29 3ksy n LYS 389 N -3.23 0.91 0.01 1.92 4.81 -0.51 -3.72 118.16 118.36 3ksy n LYS 389 Ca -0.02 -0.05 -0.07 0.00 -0.87 0.00 0.00 58.31 57.30 3ksy n LYS 389 Cb 0.14 -1.47 0.11 0.00 0.02 0.00 0.00 35.03 33.83 3ksy n LYS 389 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 3ksy h ILE 390 N 0.00 1.31 0.00 3.15 2.04 0.18 -3.08 117.51 121.10 3ksy h ILE 390 Ca -0.38 -1.60 -0.08 0.00 1.00 0.00 0.00 64.86 63.80 3ksy h ILE 390 Cb 1.84 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 39.52 3ksy h ILE 390 CO 0.02 0.50 -0.44 0.00 0.00 0.00 0.00 178.15 178.23 3ksy n SER 392 N -3.17 0.07 -4.74 0.00 3.41 -1.16 -2.03 113.62 106.00 3ksy n SER 392 Ca 0.02 -1.76 -0.37 0.00 -0.26 0.00 0.00 58.87 56.50 3ksy n SER 392 Cb 0.69 -0.01 0.06 0.00 -0.26 0.00 0.00 64.21 64.69 3ksy n SER 392 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3ksy s LYS 393 N -1.99 2.69 0.38 4.33 2.20 -1.19 -4.75 119.74 121.41 3ksy s LYS 393 Ca 0.12 2.03 0.27 0.00 -0.36 0.00 0.00 55.97 58.03 3ksy s LYS 393 Cb 0.06 -1.89 1.36 0.00 -1.51 0.00 0.00 37.83 35.84 3ksy s LYS 393 CO 0.09 -1.48 1.81 1.03 -0.36 0.00 0.00 175.35 176.44 3ksy h SER 394 N 0.69 0.00 0.00 1.43 0.87 -1.92 -0.53 113.55 114.09 3ksy h SER 394 Ca -0.51 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 59.87 3ksy h SER 394 Cb 1.33 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.26 3ksy h SER 394 CO 0.54 0.00 -1.66 -0.11 -0.53 0.00 0.00 176.83 175.06 3ksy n LEU 395 N -2.44 2.26 -0.25 2.23 0.00 -1.26 -4.49 117.00 113.04 3ksy n LEU 395 Ca -0.01 0.01 -0.07 0.00 0.00 0.00 0.00 56.01 55.94 3ksy n LEU 395 Cb 0.09 -0.39 0.05 0.00 0.00 0.00 0.00 43.42 43.17 3ksy n LEU 395 CO 0.14 0.54 0.95 0.00 0.00 0.00 0.00 177.39 179.03 3ksy h ALA 396 N -0.15 0.93 0.00 1.96 0.00 -1.81 -2.45 119.26 117.74 3ksy h ALA 396 Ca -0.28 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3ksy h ALA 396 Cb 1.35 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3ksy h ALA 396 CO -0.09 0.64 -0.07 -0.22 0.00 0.00 0.00 179.25 179.51 3ksy h LYS 397 N 1.06 0.00 0.00 0.00 3.64 -0.48 -1.57 116.57 119.22 3ksy h LYS 397 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3ksy h LYS 397 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3ksy h LYS 397 CO -0.00 0.07 -0.28 -0.09 -2.27 0.00 0.00 179.45 176.88 3ksy h ARG 398 N 0.00 0.00 0.00 1.90 2.43 -1.64 -3.21 114.38 113.86 3ksy h ARG 398 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ksy h ARG 398 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3ksy h ARG 398 CO 0.01 0.00 -1.01 0.54 -1.51 0.00 0.00 179.97 178.00 3ksy n ARG 399 N -2.55 0.29 -0.05 0.20 1.74 -0.62 -3.92 116.66 111.74 3ksy n ARG 399 Ca 0.04 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.95 3ksy n ARG 399 Cb 0.48 -1.60 -0.13 0.00 -1.02 0.00 0.00 32.46 30.19 3ksy n ARG 399 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3ksy h LEU 400 N 0.00 0.09 -1.68 0.55 3.38 -1.48 -3.23 115.31 112.94 3ksy h LEU 400 Ca 0.00 -0.88 -0.03 0.00 0.09 0.00 0.00 57.88 57.06 3ksy h LEU 400 Cb 0.73 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 3ksy h LEU 400 CO 0.00 1.20 -0.14 -1.28 0.09 0.00 0.00 178.44 178.31 3ksy h SER 401 N -0.86 0.00 -0.05 -0.43 0.87 -1.75 -2.88 113.55 108.45 3ksy h SER 401 Ca -0.11 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.41 3ksy h SER 401 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 3ksy h SER 401 CO -0.02 0.14 -0.11 -0.08 -0.53 0.00 0.00 176.83 176.23 3ksy h GLU 402 N 0.00 0.17 0.00 2.24 4.81 -1.68 -3.22 114.58 116.90 3ksy h GLU 402 Ca -0.00 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 3ksy h GLU 402 Cb 0.46 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 3ksy h GLU 402 CO 0.02 0.70 -0.16 0.77 -0.73 0.00 0.00 179.01 179.61 3ksy h SER 403 N -0.35 0.00 -3.51 1.04 0.02 -1.54 -3.52 113.55 105.68 3ksy h SER 403 Ca 0.00 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.52 3ksy h SER 403 Cb 0.70 0.00 0.19 0.00 0.14 0.00 0.00 62.40 63.43 3ksy h SER 403 CO 0.02 0.16 0.09 0.00 -1.14 0.00 0.00 176.83 175.97 3ksy s ALA 404 N -3.91 0.21 0.00 3.77 0.00 -1.10 -5.13 121.76 115.60 3ksy s ALA 404 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.49 3ksy s ALA 404 Cb 0.12 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 20.14 3ksy s ALA 404 CO 0.60 -3.51 0.00 0.00 0.00 0.00 0.00 175.76 172.85 3ksy n ALA 418 N -4.69 0.00 -3.35 0.00 0.00 -1.26 -5.14 120.51 106.08 3ksy n ALA 418 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.17 3ksy n ALA 418 Cb 0.57 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.87 3ksy n ALA 418 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ksy s ILE 419 N -1.08 2.81 -0.16 0.00 1.01 -1.26 -5.13 121.20 117.39 3ksy s ILE 419 Ca 0.00 -0.72 0.17 0.00 0.00 0.00 0.00 60.65 60.09 3ksy s ILE 419 Cb 0.00 -2.19 -0.25 0.00 0.01 0.00 0.00 42.46 40.03 3ksy s ILE 419 CO 0.00 0.51 0.23 0.29 0.00 0.00 0.00 174.94 175.97 3ksy n LYS 420 N 3.96 0.67 -0.13 2.79 5.02 -1.26 -4.58 118.16 124.63 3ksy n LYS 420 Ca -0.19 0.07 -0.11 0.00 -2.02 0.00 0.00 58.31 56.06 3ksy n LYS 420 Cb 0.52 -1.59 -0.02 0.00 -0.02 0.00 0.00 35.03 33.92 3ksy n LYS 420 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3ksy h LYS 421 N 0.00 0.72 -0.81 1.97 1.79 -2.01 -3.30 116.57 114.93 3ksy h LYS 421 Ca -0.47 -0.27 -0.04 0.00 -2.18 0.00 0.00 60.65 57.69 3ksy h LYS 421 Cb 2.17 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 32.74 3ksy h LYS 421 CO 0.04 0.86 0.36 0.52 -1.08 0.00 0.00 179.45 180.16 3ksy h MET 422 N 0.52 1.17 -0.81 3.15 2.86 -1.99 -2.37 114.93 117.47 3ksy h MET 422 Ca 0.10 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3ksy h MET 422 Cb 0.59 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 3ksy h MET 422 CO 0.04 0.92 0.43 -0.91 1.06 0.00 0.00 176.91 178.44 3ksy h ASN 423 N 1.16 1.03 -0.51 1.22 2.35 -1.81 0.14 115.58 119.15 3ksy h ASN 423 Ca 0.27 -0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.85 3ksy h ASN 423 Cb 0.15 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3ksy h ASN 423 CO -0.03 0.85 0.07 -0.08 -1.65 0.00 0.00 177.43 176.59 3ksy h GLU 424 N 1.13 0.86 -0.37 0.81 4.81 -1.58 0.47 114.58 120.71 3ksy h GLU 424 Ca 0.28 -0.24 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 3ksy h GLU 424 Cb 0.06 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3ksy h GLU 424 CO -0.04 0.85 -0.15 0.82 -0.73 0.00 0.00 179.01 179.76 3ksy h ILE 425 N 0.74 1.28 -0.40 2.32 2.04 -1.06 0.22 117.51 122.65 3ksy h ILE 425 Ca 0.15 -1.27 -0.09 0.00 1.00 0.00 0.00 64.86 64.66 3ksy h ILE 425 Cb 0.42 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 3ksy h ILE 425 CO 0.01 0.42 -0.11 -0.61 0.00 0.00 0.00 178.15 177.86 3ksy h GLN 426 N 0.55 0.72 -0.19 2.37 4.15 -0.73 -2.56 115.11 119.43 3ksy h GLN 426 Ca 0.09 -0.23 -0.11 0.00 0.77 0.00 0.00 58.65 59.16 3ksy h GLN 426 Cb 0.69 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 3ksy h GLN 426 CO 0.05 0.80 -0.37 -0.22 -1.93 0.00 0.00 178.83 177.16 3ksy h LYS 427 N 0.65 0.41 0.00 1.69 1.63 -0.68 -2.58 116.57 117.69 3ksy h LYS 427 Ca 0.11 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 3ksy h LYS 427 Cb 0.57 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 3ksy h LYS 427 CO 0.04 0.72 0.00 0.09 -3.45 0.00 0.00 179.45 176.85 3ksy n ASN 428 N -4.05 0.59 -4.78 4.20 3.02 0.76 -4.65 115.26 110.35 3ksy n ASN 428 Ca -0.01 0.67 -0.39 0.00 -0.03 0.00 0.00 54.58 54.82 3ksy n ASN 428 Cb 0.47 -0.79 -0.06 0.00 -0.61 0.00 0.00 39.78 38.80 3ksy n ASN 428 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ksy s ILE 429 N -3.34 4.80 -0.22 2.41 -1.09 -0.97 -3.94 121.20 118.85 3ksy s ILE 429 Ca 0.03 1.28 -0.08 0.00 -2.23 0.00 0.00 60.65 59.65 3ksy s ILE 429 Cb 0.08 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 3ksy s ILE 429 CO 0.33 0.47 0.08 -0.62 -1.23 0.00 0.00 174.94 173.98 3ksy s ASP 430 N -0.58 5.48 -1.27 3.58 -1.08 -1.26 -4.46 116.67 117.08 3ksy s ASP 430 Ca 0.31 -0.05 0.00 0.00 -0.52 0.00 0.00 52.55 52.29 3ksy s ASP 430 Cb -0.19 -1.97 0.00 0.00 -1.46 0.00 0.00 42.92 39.30 3ksy s ASP 430 CO 0.19 0.06 0.00 0.61 0.52 0.00 0.00 175.17 176.54 3ksy n GLY 431 N 4.32 0.02 3.68 2.66 0.00 -1.26 -4.29 105.19 110.32 3ksy n GLY 431 Ca -0.16 -0.29 -0.45 0.00 0.00 0.00 0.00 46.02 45.12 3ksy n GLY 431 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3ksy n TRP 432 N -3.81 2.40 1.00 1.61 -0.00 -1.26 -4.89 117.44 112.49 3ksy n TRP 432 Ca -0.17 0.10 0.11 0.00 -0.00 0.00 0.00 57.50 57.55 3ksy n TRP 432 Cb 0.61 -2.62 0.02 0.00 -0.00 0.00 0.00 31.31 29.32 3ksy n TRP 432 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 177.69 176.84 3ksy n GLU 433 N 4.64 1.47 -2.66 5.87 0.28 -1.26 -4.99 120.64 123.98 3ksy n GLU 433 Ca 0.18 -1.21 -0.25 0.00 -0.16 0.00 0.00 57.16 55.72 3ksy n GLU 433 Cb 0.31 -1.47 0.02 0.00 1.43 0.00 0.00 31.44 31.72 3ksy n GLU 433 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 3ksy s GLY 434 N -2.37 1.57 0.62 -1.84 0.00 -1.26 -5.07 107.32 98.97 3ksy s GLY 434 Ca 0.21 -0.79 -0.18 0.00 0.00 0.00 0.00 44.72 43.96 3ksy s GLY 434 CO 0.51 -0.58 1.18 0.54 0.00 0.00 0.00 173.10 174.75 3ksy s LYS 435 N -4.78 2.85 0.20 2.90 1.02 -1.26 -4.85 119.74 115.82 3ksy s LYS 435 Ca 0.50 1.71 -0.31 0.00 0.02 0.00 0.00 55.97 57.90 3ksy s LYS 435 Cb -0.10 -1.93 -0.16 0.00 -0.52 0.00 0.00 37.83 35.12 3ksy s LYS 435 CO 0.42 -1.27 0.95 -0.25 -0.92 0.00 0.00 175.35 174.28 3ksy n ASP 436 N -1.89 0.56 -0.22 2.83 8.00 -1.26 -4.71 116.55 119.87 3ksy n ASP 436 Ca 0.13 1.15 0.16 0.00 0.71 0.00 0.00 54.79 56.94 3ksy n ASP 436 Cb 0.50 -1.15 0.48 0.00 -0.02 0.00 0.00 41.12 40.94 3ksy n ASP 436 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3ksy h ILE 437 N 2.07 0.74 0.00 0.53 2.04 -1.94 0.64 117.51 121.60 3ksy h ILE 437 Ca -0.39 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.31 3ksy h ILE 437 Cb 1.37 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3ksy h ILE 437 CO 0.64 0.09 0.00 0.61 0.00 0.00 0.00 178.15 179.48 3ksy n GLY 438 N -1.50 -0.55 0.15 5.37 0.00 -1.26 -1.36 105.19 106.05 3ksy n GLY 438 Ca 0.17 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 3ksy n GLY 438 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3ksy h GLN 439 N 0.00 0.44 -0.00 1.61 1.08 0.02 -3.37 115.11 114.89 3ksy h GLN 439 Ca 0.00 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 3ksy h GLN 439 Cb 0.05 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3ksy h GLN 439 CO 0.00 0.59 -0.00 0.00 -0.95 0.00 0.00 178.83 178.47 3ksy n ASN 442 N 3.80 0.74 -3.66 0.00 3.02 -1.26 -4.18 115.26 113.72 3ksy n ASN 442 Ca -0.23 -0.31 -0.10 0.00 -0.03 0.00 0.00 54.58 53.91 3ksy n ASN 442 Cb 0.52 1.57 -0.03 0.00 -0.61 0.00 0.00 39.78 41.23 3ksy n ASN 442 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3ksy s GLU 443 N -3.11 1.39 -0.18 3.52 2.02 -1.26 -5.04 118.70 116.04 3ksy s GLU 443 Ca -0.02 -0.76 -0.01 0.00 0.02 0.00 0.00 54.97 54.19 3ksy s GLU 443 Cb 0.13 0.55 -0.00 0.00 0.10 0.00 0.00 34.13 34.90 3ksy s GLU 443 CO 0.77 -0.60 -0.12 -0.59 0.02 0.00 0.00 175.26 174.74 3ksy s PHE 444 N -3.84 2.85 0.10 1.61 -0.12 -1.26 0.22 117.98 117.54 3ksy s PHE 444 Ca 0.07 -1.02 -0.15 0.00 -0.05 0.00 0.00 56.93 55.77 3ksy s PHE 444 Cb -0.02 -1.96 -0.07 0.00 -0.63 0.00 0.00 43.02 40.35 3ksy s PHE 444 CO -0.05 -0.50 1.46 0.82 -0.05 0.00 0.00 175.22 176.91 3ksy h ILE 445 N 5.67 1.29 -2.61 -4.49 2.04 -1.27 -3.46 117.51 114.68 3ksy h ILE 445 Ca -0.36 -1.30 0.10 0.00 1.00 0.00 0.00 64.86 64.30 3ksy h ILE 445 Cb 1.18 1.45 -0.10 0.00 -0.74 0.00 0.00 36.82 38.61 3ksy h ILE 445 CO 0.59 0.42 0.37 -0.04 0.00 0.00 0.00 178.15 179.49 3ksy s MET 446 N -4.57 1.27 -0.19 2.37 -1.94 -1.23 -5.02 119.30 110.00 3ksy s MET 446 Ca -0.13 -0.62 -0.04 0.00 -1.71 0.00 0.00 55.69 53.19 3ksy s MET 446 Cb 0.09 0.48 0.08 0.00 2.01 0.00 0.00 34.83 37.49 3ksy s MET 446 CO 0.81 -0.57 0.16 -2.00 -0.01 0.00 0.00 175.02 173.41 3ksy s GLU 447 N -3.49 0.13 0.00 2.03 2.12 -1.26 0.17 118.70 118.39 3ksy s GLU 447 Ca 0.08 0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.48 3ksy s GLU 447 Cb -0.02 -1.50 0.00 0.00 0.26 0.00 0.00 34.13 32.87 3ksy s GLU 447 CO -0.02 -0.66 0.00 0.41 -0.54 0.00 0.00 175.26 174.45 3ksy n GLY 448 N 5.30 3.91 3.36 -1.50 0.00 -0.96 -5.00 105.19 110.30 3ksy n GLY 448 Ca -0.06 -1.41 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 3ksy n GLY 448 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ksy s THR 449 N -1.99 2.20 0.07 2.61 2.01 -1.26 0.21 115.64 119.49 3ksy s THR 449 Ca 0.00 -1.46 -0.10 0.00 0.31 0.00 0.00 61.69 60.44 3ksy s THR 449 Cb 0.00 -1.88 0.01 0.00 0.01 0.00 0.00 72.50 70.64 3ksy s THR 449 CO 0.00 0.31 0.23 -0.76 -0.69 0.00 0.00 174.62 173.71 3ksy s LEU 450 N -1.41 1.22 -0.27 4.42 1.43 -0.92 -4.80 118.68 118.35 3ksy s LEU 450 Ca 0.12 -0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 52.71 3ksy s LEU 450 Cb -0.10 1.15 0.02 0.00 0.03 0.00 0.00 46.19 47.29 3ksy s LEU 450 CO 0.03 -0.68 -0.01 -0.89 0.23 0.00 0.00 176.35 175.03 3ksy s THR 451 N -3.35 3.31 -0.18 5.49 2.01 -0.91 -0.31 115.64 121.70 3ksy s THR 451 Ca 0.01 -0.88 -0.29 0.00 0.31 0.00 0.00 61.69 60.84 3ksy s THR 451 Cb 0.02 -2.69 -0.01 0.00 0.01 0.00 0.00 72.50 69.84 3ksy s THR 451 CO -0.08 0.16 1.18 -0.60 -0.69 0.00 0.00 174.62 174.59 3ksy s ARG 452 N 1.40 4.25 0.33 4.92 3.52 -1.26 -2.22 118.95 129.88 3ksy s ARG 452 Ca 0.01 1.56 -0.29 0.00 -0.13 0.00 0.00 55.73 56.88 3ksy s ARG 452 Cb -0.17 -3.71 -0.11 0.00 -1.56 0.00 0.00 34.95 29.40 3ksy s ARG 452 CO -0.02 -0.66 1.54 0.28 -0.81 0.00 0.00 175.30 175.64 3ksy n VAL 453 N 5.30 1.49 -1.02 7.11 0.31 -1.01 0.70 118.33 131.20 3ksy n VAL 453 Ca 0.13 -0.37 -0.01 0.00 -0.01 0.00 0.00 64.34 64.08 3ksy n VAL 453 Cb 0.45 -1.97 -0.00 0.00 -0.91 0.00 0.00 33.84 31.41 3ksy n VAL 453 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ksy n GLY 454 N 1.35 0.48 3.42 2.92 0.00 -1.26 -4.86 105.19 107.25 3ksy n GLY 454 Ca 0.05 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 3ksy n GLY 454 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ksy s ALA 455 N -1.95 2.77 0.21 4.61 0.00 0.22 -5.03 121.76 122.58 3ksy s ALA 455 Ca 0.00 -0.86 -0.08 0.00 0.00 0.00 0.00 51.96 51.01 3ksy s ALA 455 Cb 0.00 -1.33 0.14 0.00 0.00 0.00 0.00 23.12 21.93 3ksy s ALA 455 CO 0.00 0.25 1.77 0.87 0.00 0.00 0.00 175.76 178.65 3ksy h LYS 456 N 6.65 1.15 -5.61 0.00 1.79 -1.96 -3.45 116.57 115.15 3ksy h LYS 456 Ca -0.28 -0.21 -0.47 0.00 -2.18 0.00 0.00 60.65 57.51 3ksy h LYS 456 Cb 1.20 -0.19 -0.22 0.00 -1.58 0.00 0.00 32.23 31.45 3ksy h LYS 456 CO 0.58 0.93 -0.80 -1.01 -1.08 0.00 0.00 179.45 178.08 3ksy s HIS 457 N -5.55 1.41 0.25 -1.35 3.76 -1.26 -5.12 115.29 107.43 3ksy s HIS 457 Ca -0.12 -0.43 -0.30 0.00 -0.15 0.00 0.00 55.06 54.05 3ksy s HIS 457 Cb 0.15 -0.79 -0.11 0.00 1.11 0.00 0.00 32.58 32.94 3ksy s HIS 457 CO 0.83 0.10 1.54 -1.83 -0.85 0.00 0.00 174.74 174.54 3ksy s GLU 458 N -1.68 4.19 -0.23 1.40 -1.05 -1.26 -4.65 118.70 115.41 3ksy s GLU 458 Ca 0.01 2.45 -0.06 0.00 -0.15 0.00 0.00 54.97 57.22 3ksy s GLU 458 Cb -0.10 -3.08 -0.02 0.00 -0.44 0.00 0.00 34.13 30.49 3ksy s GLU 458 CO 0.03 -0.56 0.03 1.03 0.95 0.00 0.00 175.26 176.74 3ksy s ARG 459 N -0.08 3.62 0.27 -4.83 0.52 0.57 -4.23 118.95 114.79 3ksy s ARG 459 Ca 0.64 -0.50 -0.30 0.00 -0.52 0.00 0.00 55.73 55.05 3ksy s ARG 459 Cb -0.45 -3.21 -0.10 0.00 0.52 0.00 0.00 34.95 31.71 3ksy s ARG 459 CO 0.42 -0.12 1.39 -1.58 0.02 0.00 0.00 175.30 175.44 3ksy s HIS 460 N 1.37 3.04 -0.11 -0.53 5.65 0.14 -2.16 115.29 122.68 3ksy s HIS 460 Ca 0.05 1.17 0.03 0.00 0.25 0.00 0.00 55.06 56.56 3ksy s HIS 460 Cb -0.15 -3.76 0.01 0.00 -1.18 0.00 0.00 32.58 27.50 3ksy s HIS 460 CO 0.02 -2.36 -0.21 0.42 -0.65 0.00 0.00 174.74 171.96 3ksy s ILE 461 N -0.37 1.92 -0.20 0.89 1.01 0.13 -0.85 121.20 123.74 3ksy s ILE 461 Ca 0.56 -0.92 -0.16 0.00 0.00 0.00 0.00 60.65 60.13 3ksy s ILE 461 Cb -0.41 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3ksy s ILE 461 CO 0.46 0.53 0.39 -0.36 0.00 0.00 0.00 174.94 175.96 3ksy s PHE 462 N 0.57 3.38 -0.23 3.97 0.08 -0.94 -2.26 117.98 122.55 3ksy s PHE 462 Ca -0.14 0.62 -0.11 0.00 0.12 0.00 0.00 56.93 57.42 3ksy s PHE 462 Cb -0.17 -2.51 -0.05 0.00 -0.57 0.00 0.00 43.02 39.73 3ksy s PHE 462 CO 0.04 0.02 0.18 -1.17 -0.10 0.00 0.00 175.22 174.19 3ksy s LEU 463 N 1.21 4.14 0.08 -0.37 0.20 0.12 -2.08 118.68 121.98 3ksy s LEU 463 Ca 0.19 0.18 0.02 0.00 0.69 0.00 0.00 54.13 55.21 3ksy s LEU 463 Cb -0.15 -2.15 -0.04 0.00 -0.43 0.00 0.00 46.19 43.43 3ksy s LEU 463 CO 0.08 0.07 -0.07 -0.36 -0.29 0.00 0.00 176.35 175.78 3ksy s PHE 464 N 0.95 0.82 -0.22 5.38 0.08 -1.13 -0.83 117.98 123.03 3ksy s PHE 464 Ca 0.09 -0.78 -0.29 0.00 0.12 0.00 0.00 56.93 56.07 3ksy s PHE 464 Cb -0.13 -0.48 -0.01 0.00 -0.57 0.00 0.00 43.02 41.83 3ksy s PHE 464 CO 0.04 -0.13 1.27 0.16 -0.10 0.00 0.00 175.22 176.46 3ksy s ASP 465 N -2.58 6.85 0.00 1.36 -4.77 0.13 -2.26 116.67 115.41 3ksy s ASP 465 Ca 0.05 1.51 0.00 0.00 -3.30 0.00 0.00 52.55 50.80 3ksy s ASP 465 Cb 0.00 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.30 3ksy s ASP 465 CO -0.03 -0.87 0.00 0.61 0.70 0.00 0.00 175.17 175.57 3ksy n GLY 466 N 3.86 0.61 3.15 2.12 0.00 -1.26 -4.43 105.19 109.24 3ksy n GLY 466 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 3ksy n GLY 466 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ksy s LEU 467 N 0.00 1.28 -0.06 0.99 0.20 -0.96 -4.46 118.68 115.67 3ksy s LEU 467 Ca 0.00 -0.06 0.04 0.00 0.69 0.00 0.00 54.13 54.80 3ksy s LEU 467 Cb 0.00 0.88 0.00 0.00 -0.43 0.00 0.00 46.19 46.65 3ksy s LEU 467 CO 0.00 -0.37 -0.18 0.00 -0.29 0.00 0.00 176.35 175.51 3ksy s MET 468 N -1.25 2.09 -0.09 1.98 0.00 -1.25 -2.84 119.30 117.94 3ksy s MET 468 Ca -0.13 -0.63 0.04 0.00 0.00 0.00 0.00 55.69 54.97 3ksy s MET 468 Cb -0.06 -1.71 -0.00 0.00 0.00 0.00 0.00 34.83 33.05 3ksy s MET 468 CO 0.02 0.17 -0.23 0.42 0.00 0.00 0.00 175.02 175.40 3ksy s ILE 469 N 0.28 2.00 -0.07 3.16 1.01 -0.89 -3.97 121.20 122.73 3ksy s ILE 469 Ca -0.11 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.59 3ksy s ILE 469 Cb -0.14 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.60 3ksy s ILE 469 CO 0.04 0.55 -0.19 0.00 0.00 0.00 0.00 174.94 175.34 3ksy s LYS 472 N -2.45 3.77 0.17 0.00 2.20 0.13 -0.69 119.74 122.86 3ksy s LYS 472 Ca -0.04 -0.42 -0.30 0.00 -0.36 0.00 0.00 55.97 54.84 3ksy s LYS 472 Cb -0.03 -3.36 -0.08 0.00 -1.51 0.00 0.00 37.83 32.84 3ksy s LYS 472 CO -0.03 -0.09 1.29 0.45 -0.36 0.00 0.00 175.35 176.60 3ksy s SER 473 N 1.39 6.94 -0.14 1.43 0.15 -1.26 -2.10 113.70 120.11 3ksy s SER 473 Ca 0.06 2.32 0.15 0.00 0.70 0.00 0.00 55.95 59.17 3ksy s SER 473 Cb -0.15 -2.60 0.37 0.00 -1.71 0.00 0.00 66.02 61.93 3ksy s SER 473 CO 0.04 -0.51 1.18 0.59 1.20 0.00 0.00 173.24 175.74 3ksy n ASN 474 N 2.93 1.58 -4.67 5.45 3.02 0.65 -5.00 115.26 119.23 3ksy n ASN 474 Ca 0.07 -3.25 -0.42 0.00 -0.03 0.00 0.00 54.58 50.95 3ksy n ASN 474 Cb 0.43 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 3ksy n ASN 474 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3ksy s HIS 475 N -2.32 1.57 0.00 3.10 5.65 -1.23 -2.13 115.29 119.93 3ksy s HIS 475 Ca 0.33 -0.28 0.00 0.00 0.25 0.00 0.00 55.06 55.36 3ksy s HIS 475 Cb 0.33 -4.19 0.00 0.00 -1.18 0.00 0.00 32.58 27.54 3ksy s HIS 475 CO -0.06 -5.21 0.00 0.41 -0.65 0.00 0.00 174.74 169.22 3ksy n GLY 476 N 4.42 3.06 3.77 1.59 0.00 -1.26 -5.02 105.19 111.75 3ksy n GLY 476 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3ksy n GLY 476 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ksy s GLN 477 N -0.48 4.04 0.36 1.61 -0.21 -0.90 -4.98 119.66 119.09 3ksy s GLN 477 Ca 0.00 1.84 -0.28 0.00 0.02 0.00 0.00 55.36 56.94 3ksy s GLN 477 Cb 0.00 -2.66 -0.10 0.00 1.00 0.00 0.00 33.01 31.25 3ksy s GLN 477 CO 0.00 -0.33 1.36 -1.25 -2.12 0.00 0.00 175.29 172.95 3ksy s PRO 478 N -2.32 4.18 0.15 2.91 0.04 -1.26 -5.05 135.00 133.65 3ksy s PRO 478 Ca 0.57 2.31 0.07 0.00 0.04 0.00 0.00 61.00 64.00 3ksy s PRO 478 Cb -0.31 -2.96 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 3ksy s PRO 478 CO 0.38 -0.37 -0.16 1.03 0.04 0.00 0.00 177.00 177.93 3ksy s ARG 479 N -1.99 1.18 0.43 4.56 3.00 -1.26 -5.14 118.95 119.73 3ksy s ARG 479 Ca 0.52 -1.38 -0.22 0.00 0.00 0.00 0.00 55.73 54.65 3ksy s ARG 479 Cb -0.41 -1.11 -0.09 0.00 0.00 0.00 0.00 34.95 33.34 3ksy s ARG 479 CO 0.55 0.21 1.05 -0.51 0.00 0.00 0.00 175.30 176.60 3ksy s LEU 480 N -2.71 4.02 0.18 2.53 1.43 -1.26 -4.97 118.68 117.90 3ksy s LEU 480 Ca 0.14 2.01 -0.33 0.00 -1.03 0.00 0.00 54.13 54.92 3ksy s LEU 480 Cb -0.04 -4.33 -0.13 0.00 0.03 0.00 0.00 46.19 41.71 3ksy s LEU 480 CO 0.05 -0.62 1.60 -0.81 0.23 0.00 0.00 176.35 176.80 3ksy n PRO 481 N -0.43 2.31 0.00 1.29 -0.04 -1.26 -1.50 135.00 135.37 3ksy n PRO 481 Ca 0.07 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 3ksy n PRO 481 Cb 0.51 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 3ksy n PRO 481 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ksy n GLY 482 N 3.40 1.54 3.88 0.55 0.00 -1.26 -5.04 105.19 108.26 3ksy n GLY 482 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3ksy n GLY 482 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ksy s ALA 483 N -2.39 3.43 0.37 4.61 0.00 -0.56 -5.01 121.76 122.21 3ksy s ALA 483 Ca 0.00 -0.31 -0.24 0.00 0.00 0.00 0.00 51.96 51.41 3ksy s ALA 483 Cb 0.00 -2.59 -0.13 0.00 0.00 0.00 0.00 23.12 20.41 3ksy s ALA 483 CO 0.00 0.06 0.75 0.45 0.00 0.00 0.00 175.76 177.02 3ksy n SER 484 N -1.21 0.04 -0.65 0.00 2.88 -1.26 -4.88 113.62 108.54 3ksy n SER 484 Ca 0.01 1.01 0.07 0.00 -1.33 0.00 0.00 58.87 58.64 3ksy n SER 484 Cb 0.54 -1.19 0.10 0.00 -0.75 0.00 0.00 64.21 62.91 3ksy n SER 484 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3ksy n ASN 485 N 1.15 2.49 -4.63 -3.46 3.02 -1.26 -4.96 115.26 107.60 3ksy n ASN 485 Ca 0.11 -1.71 -0.42 0.00 -0.03 0.00 0.00 54.58 52.52 3ksy n ASN 485 Cb 0.37 -0.09 -0.00 0.00 -0.61 0.00 0.00 39.78 39.45 3ksy n ASN 485 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ksy n ALA 486 N 0.81 0.46 0.21 5.41 0.00 -1.26 -4.88 120.51 121.26 3ksy n ALA 486 Ca 0.10 0.31 0.06 0.00 0.00 0.00 0.00 53.44 53.91 3ksy n ALA 486 Cb 0.39 -2.13 0.45 0.00 0.00 0.00 0.00 19.45 18.17 3ksy n ALA 486 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3ksy h GLU 487 N 1.96 0.00 -5.30 0.00 5.08 -1.92 -3.46 114.58 110.93 3ksy h GLU 487 Ca -0.44 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.28 3ksy h GLU 487 Cb 1.32 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.44 3ksy h GLU 487 CO 0.59 0.30 -0.54 0.71 -1.00 0.00 0.00 179.01 179.08 3ksy s TYR 488 N -3.99 2.03 -0.27 4.33 1.51 -1.25 -0.25 117.35 119.46 3ksy s TYR 488 Ca -0.02 -0.92 -0.04 0.00 -1.01 0.00 0.00 57.07 55.08 3ksy s TYR 488 Cb 0.13 -1.58 0.15 0.00 -0.11 0.00 0.00 41.96 40.55 3ksy s TYR 488 CO 0.67 0.21 0.51 0.50 -1.11 0.00 0.00 175.55 176.33 3ksy s ARG 489 N -3.81 0.46 -0.22 -0.62 6.06 -0.89 -4.20 118.95 115.73 3ksy s ARG 489 Ca 0.18 0.95 -0.03 0.00 -2.50 0.00 0.00 55.73 54.33 3ksy s ARG 489 Cb 0.04 0.27 -0.00 0.00 0.06 0.00 0.00 34.95 35.32 3ksy s ARG 489 CO 0.09 -0.49 -0.05 -0.48 -2.50 0.00 0.00 175.30 171.87 3ksy s LEU 490 N 2.73 2.89 0.09 -0.88 0.05 -1.26 0.17 118.68 122.47 3ksy s LEU 490 Ca 0.10 -0.47 -0.17 0.00 0.05 0.00 0.00 54.13 53.64 3ksy s LEU 490 Cb -0.14 -1.71 -0.07 0.00 -2.05 0.00 0.00 46.19 42.22 3ksy s LEU 490 CO -0.18 -0.04 1.49 0.50 -0.55 0.00 0.00 176.35 177.58 3ksy h LYS 491 N 8.09 0.57 -3.51 1.48 3.64 -1.91 -3.45 116.57 121.49 3ksy h LYS 491 Ca -0.41 -0.22 -0.04 0.00 -1.27 0.00 0.00 60.65 58.71 3ksy h LYS 491 Cb 1.15 -0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.84 3ksy h LYS 491 CO 0.60 0.77 -0.07 -1.21 -2.27 0.00 0.00 179.45 177.27 3ksy s GLU 492 N -4.77 1.43 0.12 1.90 2.02 -1.26 -4.99 118.70 113.15 3ksy s GLU 492 Ca -0.13 -1.07 0.03 0.00 0.02 0.00 0.00 54.97 53.82 3ksy s GLU 492 Cb 0.08 0.48 -0.04 0.00 0.10 0.00 0.00 34.13 34.75 3ksy s GLU 492 CO 0.78 -0.59 -0.08 -1.59 0.02 0.00 0.00 175.26 173.79 3ksy s LYS 493 N -3.94 0.93 0.12 1.61 -2.85 -1.26 -4.43 119.74 109.92 3ksy s LYS 493 Ca 0.15 -1.37 0.07 0.00 -1.00 0.00 0.00 55.97 53.83 3ksy s LYS 493 Cb -0.00 -0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 35.31 3ksy s LYS 493 CO 0.03 0.03 -0.18 -0.06 0.10 0.00 0.00 175.35 175.27 3ksy s PHE 494 N -3.40 1.66 0.19 1.78 0.08 -1.25 -5.06 117.98 111.97 3ksy s PHE 494 Ca 0.13 -0.46 -0.10 0.00 0.12 0.00 0.00 56.93 56.62 3ksy s PHE 494 Cb 0.03 -0.88 0.10 0.00 -0.57 0.00 0.00 43.02 41.71 3ksy s PHE 494 CO -0.02 0.21 1.73 0.27 -0.10 0.00 0.00 175.22 177.31 3ksy h PHE 495 N 3.78 1.06 -0.09 0.36 -5.15 -1.94 -3.32 116.94 111.63 3ksy h PHE 495 Ca -0.43 -0.10 -0.04 0.00 -0.20 0.00 0.00 57.97 57.20 3ksy h PHE 495 Cb 1.19 -0.31 -0.02 0.00 0.22 0.00 0.00 35.95 37.04 3ksy h PHE 495 CO 0.64 0.84 -0.04 -1.33 -2.00 0.00 0.00 178.31 176.43 3ksy n MET 496 N -4.36 -0.30 -4.74 6.09 2.81 -1.26 -4.31 117.12 111.05 3ksy n MET 496 Ca 0.05 0.38 -0.33 0.00 -1.81 0.00 0.00 57.70 55.98 3ksy n MET 496 Cb 0.20 -3.85 -0.14 0.00 -0.71 0.00 0.00 33.22 28.72 3ksy n MET 496 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3ksy s ARG 497 N -1.40 3.28 -1.07 0.03 0.52 -1.26 -4.65 118.95 114.39 3ksy s ARG 497 Ca 0.00 -0.66 -0.07 0.00 -0.52 0.00 0.00 55.73 54.48 3ksy s ARG 497 Cb 0.00 -2.63 0.01 0.00 0.52 0.00 0.00 34.95 32.85 3ksy s ARG 497 CO 0.00 0.29 0.94 1.17 0.02 0.00 0.00 175.30 177.72 3ksy n LYS 498 N 3.31 -6.32 -4.47 3.54 4.81 -1.26 -5.01 118.16 112.76 3ksy n LYS 498 Ca -0.18 0.66 -0.34 0.00 -0.87 0.00 0.00 58.31 57.58 3ksy n LYS 498 Cb 0.53 -5.18 -0.12 0.00 0.02 0.00 0.00 35.03 30.27 3ksy n LYS 498 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3ksy s VAL 499 N -3.25 3.79 -0.05 3.15 1.01 -1.26 -4.94 120.40 118.86 3ksy s VAL 499 Ca 0.46 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 62.10 3ksy s VAL 499 Cb -0.20 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 3ksy s VAL 499 CO 0.58 0.51 -0.23 -1.58 0.00 0.00 0.00 175.10 174.38 3ksy s GLN 500 N 0.16 2.44 -0.07 2.72 0.74 -1.26 -4.97 119.66 119.42 3ksy s GLN 500 Ca -0.02 -0.88 0.05 0.00 0.05 0.00 0.00 55.36 54.56 3ksy s GLN 500 Cb -0.14 -2.17 -0.01 0.00 1.10 0.00 0.00 33.01 31.79 3ksy s GLN 500 CO 0.03 0.46 -0.24 0.96 -0.55 0.00 0.00 175.29 175.95 3ksy s ILE 501 N -0.35 2.09 -0.04 -2.34 -0.00 -1.06 -4.12 121.20 115.37 3ksy s ILE 501 Ca 0.02 -1.04 0.02 0.00 -0.00 0.00 0.00 60.65 59.65 3ksy s ILE 501 Cb -0.12 -1.77 0.02 0.00 -0.00 0.00 0.00 42.46 40.59 3ksy s ILE 501 CO 0.02 0.57 -0.07 0.21 -0.00 0.00 0.00 174.94 175.67 3ksy s ASN 502 N 0.00 1.11 0.06 4.36 3.84 -1.25 -4.73 114.94 118.32 3ksy s ASN 502 Ca -0.09 -0.17 0.02 0.00 0.21 0.00 0.00 52.86 52.84 3ksy s ASN 502 Cb -0.15 -0.46 -0.03 0.00 -0.55 0.00 0.00 41.25 40.06 3ksy s ASN 502 CO 0.05 -0.01 -0.07 1.51 -2.79 0.00 0.00 177.10 175.79 3ksy s ASP 503 N 0.65 0.92 -0.07 -4.21 -4.77 -1.26 -3.25 116.67 104.67 3ksy s ASP 503 Ca -0.10 -0.68 -0.04 0.00 -3.30 0.00 0.00 52.55 48.44 3ksy s ASP 503 Cb -0.13 0.05 0.03 0.00 -1.09 0.00 0.00 42.92 41.79 3ksy s ASP 503 CO 0.01 -0.28 0.16 -0.54 0.70 0.00 0.00 175.17 175.22 3ksy s LYS 504 N -2.20 0.12 -1.38 2.11 1.02 -1.26 -5.04 119.74 113.10 3ksy s LYS 504 Ca -0.04 0.35 -0.14 0.00 0.02 0.00 0.00 55.97 56.16 3ksy s LYS 504 Cb -0.06 -0.12 0.07 0.00 -0.52 0.00 0.00 37.83 37.20 3ksy s LYS 504 CO -0.01 -0.14 2.02 -0.25 -0.92 0.00 0.00 175.35 176.05 3ksy n ASP 505 N 3.96 4.37 -4.51 2.83 9.92 -1.26 -4.71 116.55 127.16 3ksy n ASP 505 Ca -0.23 -2.90 -0.29 0.00 -0.53 0.00 0.00 54.79 50.83 3ksy n ASP 505 Cb 0.53 -1.65 0.24 0.00 -0.64 0.00 0.00 41.12 39.59 3ksy n ASP 505 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3ksy n ASP 506 N 6.37 -1.33 -0.09 -2.24 8.00 -1.17 -4.91 116.55 121.18 3ksy n ASP 506 Ca 0.49 -0.04 -0.02 0.00 0.71 0.00 0.00 54.79 55.93 3ksy n ASP 506 Cb 0.41 -1.30 0.22 0.00 -0.02 0.00 0.00 41.12 40.43 3ksy n ASP 506 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ksy h THR 507 N -2.51 1.22 -3.72 -3.53 1.03 -1.91 -3.42 112.91 100.07 3ksy h THR 507 Ca -0.57 -0.82 -0.44 0.00 -0.01 0.00 0.00 66.41 64.57 3ksy h THR 507 Cb 1.32 0.78 0.17 0.00 -1.07 0.00 0.00 68.15 69.35 3ksy h THR 507 CO 0.47 0.30 0.17 0.20 -0.01 0.00 0.00 175.52 176.64 3ksy s ASN 508 N -6.64 1.91 -1.62 0.00 0.01 -1.26 -4.83 114.94 102.52 3ksy s ASN 508 Ca -0.09 0.95 -0.10 0.00 -0.71 0.00 0.00 52.86 52.91 3ksy s ASN 508 Cb 0.15 -1.46 -0.08 0.00 0.41 0.00 0.00 41.25 40.28 3ksy s ASN 508 CO 0.79 -3.55 2.91 -0.62 -1.51 0.00 0.00 177.10 175.12 3ksy n GLU 509 N -4.42 3.65 -4.26 -0.60 1.02 -1.26 -4.70 120.64 110.07 3ksy n GLU 509 Ca 0.08 -2.24 -0.27 0.00 -0.02 0.00 0.00 57.16 54.71 3ksy n GLU 509 Cb 0.58 -2.84 -0.17 0.00 -0.02 0.00 0.00 31.44 29.00 3ksy n GLU 509 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3ksy s TYR 510 N 2.22 1.75 0.03 -0.32 1.51 -1.26 -5.11 117.35 116.17 3ksy s TYR 510 Ca 0.68 -0.83 -0.04 0.00 -1.01 0.00 0.00 57.07 55.87 3ksy s TYR 510 Cb 0.18 -1.31 -0.01 0.00 -0.11 0.00 0.00 41.96 40.70 3ksy s TYR 510 CO -0.06 -0.47 0.06 0.15 -1.11 0.00 0.00 175.55 174.12 3ksy s LYS 511 N 1.20 0.51 -0.73 -0.62 1.02 -1.26 -3.04 119.74 116.83 3ksy s LYS 511 Ca -0.03 -0.73 -0.12 0.00 0.02 0.00 0.00 55.97 55.11 3ksy s LYS 511 Cb -0.14 0.20 0.02 0.00 -0.52 0.00 0.00 37.83 37.38 3ksy s LYS 511 CO -0.04 -0.12 0.22 0.72 -0.92 0.00 0.00 175.35 175.22 3ksy n HIS 512 N 0.97 -0.71 -4.48 3.18 8.25 -1.26 -3.63 115.22 117.54 3ksy n HIS 512 Ca -0.20 0.14 -0.23 0.00 -0.26 0.00 0.00 57.72 57.17 3ksy n HIS 512 Cb 0.58 -1.49 -0.10 0.00 1.12 0.00 0.00 29.99 30.09 3ksy n HIS 512 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ksy s ALA 513 N -4.03 2.64 0.12 -1.41 0.00 -1.26 -0.99 121.76 116.83 3ksy s ALA 513 Ca 0.16 -1.99 0.05 0.00 0.00 0.00 0.00 51.96 50.18 3ksy s ALA 513 Cb -0.09 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 3ksy s ALA 513 CO 0.53 0.01 -0.12 -0.59 0.00 0.00 0.00 175.76 175.59 3ksy s PHE 514 N -2.81 1.23 -0.17 0.00 -0.71 -0.73 -4.35 117.98 110.43 3ksy s PHE 514 Ca 0.31 -0.63 -0.05 0.00 -1.04 0.00 0.00 56.93 55.52 3ksy s PHE 514 Cb 0.03 -0.65 -0.03 0.00 -1.21 0.00 0.00 43.02 41.16 3ksy s PHE 514 CO 0.14 0.07 -0.00 -2.00 -1.34 0.00 0.00 175.22 172.09 3ksy s GLU 515 N -2.90 3.75 -0.08 1.99 2.12 -1.20 -1.90 118.70 120.47 3ksy s GLU 515 Ca 0.09 -0.47 0.05 0.00 0.36 0.00 0.00 54.97 54.99 3ksy s GLU 515 Cb -0.03 -3.03 -0.01 0.00 0.26 0.00 0.00 34.13 31.33 3ksy s GLU 515 CO 0.01 0.21 -0.23 0.42 -0.54 0.00 0.00 175.26 175.13 3ksy s ILE 516 N 0.47 2.17 -0.35 -3.70 1.01 -1.08 -2.55 121.20 117.16 3ksy s ILE 516 Ca -0.01 -1.00 -0.10 0.00 0.00 0.00 0.00 60.65 59.54 3ksy s ILE 516 Cb -0.14 -1.82 0.02 0.00 0.01 0.00 0.00 42.46 40.54 3ksy s ILE 516 CO 0.02 0.56 0.17 -0.63 0.00 0.00 0.00 174.94 175.07 3ksy s ILE 517 N 0.09 4.44 0.33 2.92 1.01 -1.26 -0.93 121.20 127.79 3ksy s ILE 517 Ca -0.11 -0.78 -0.28 0.00 0.00 0.00 0.00 60.65 59.49 3ksy s ILE 517 Cb -0.16 -3.42 -0.09 0.00 0.01 0.00 0.00 42.46 38.80 3ksy s ILE 517 CO 0.06 -0.13 1.11 -0.76 0.00 0.00 0.00 174.94 175.22 3ksy s LEU 518 N 1.55 4.40 0.27 2.97 1.43 -1.24 -4.78 118.68 123.28 3ksy s LEU 518 Ca 0.02 2.26 -0.30 0.00 -1.03 0.00 0.00 54.13 55.09 3ksy s LEU 518 Cb -0.19 -3.81 -0.11 0.00 0.03 0.00 0.00 46.19 42.12 3ksy s LEU 518 CO 0.06 -0.32 1.49 -1.59 0.23 0.00 0.00 176.35 176.22 3ksy s LYS 519 N -1.82 4.21 -1.37 1.70 -2.85 -1.26 -1.18 119.74 117.17 3ksy s LYS 519 Ca 0.49 2.41 -0.12 0.00 -1.00 0.00 0.00 55.97 57.76 3ksy s LYS 519 Cb -0.30 -3.07 0.09 0.00 -2.06 0.00 0.00 37.83 32.49 3ksy s LYS 519 CO 0.39 -0.49 0.57 -0.25 0.10 0.00 0.00 175.35 175.66 3ksy n ASP 520 N 2.13 -3.60 -3.68 0.03 9.92 -1.26 -4.90 116.55 115.19 3ksy n ASP 520 Ca 0.07 -0.54 -0.11 0.00 -0.53 0.00 0.00 54.79 53.68 3ksy n ASP 520 Cb 0.39 -2.97 -0.06 0.00 -0.64 0.00 0.00 41.12 37.85 3ksy n ASP 520 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3ksy s GLU 521 N -6.24 0.98 0.38 -1.24 2.02 -0.33 -5.15 118.70 109.13 3ksy s GLU 521 Ca 0.49 -0.61 -0.26 0.00 0.02 0.00 0.00 54.97 54.60 3ksy s GLU 521 Cb -0.26 0.43 -0.09 0.00 0.10 0.00 0.00 34.13 34.31 3ksy s GLU 521 CO 0.60 -0.36 1.21 -0.80 0.02 0.00 0.00 175.26 175.93 3ksy s ASN 522 N -2.51 6.59 0.37 -0.19 -0.87 -1.26 -3.70 114.94 113.37 3ksy s ASN 522 Ca 0.00 2.44 -0.26 0.00 -1.57 0.00 0.00 52.86 53.47 3ksy s ASN 522 Cb 0.01 -2.62 -0.09 0.00 -0.02 0.00 0.00 41.25 38.53 3ksy s ASN 522 CO -0.08 -0.63 1.16 -0.44 -2.57 0.00 0.00 177.10 174.53 3ksy s SER 523 N -0.94 6.72 -0.18 -1.22 0.01 -1.24 -4.09 113.70 112.76 3ksy s SER 523 Ca 0.55 2.34 -0.03 0.00 1.31 0.00 0.00 55.95 60.11 3ksy s SER 523 Cb -0.33 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.26 3ksy s SER 523 CO 0.43 -0.54 -0.05 -0.69 0.41 0.00 0.00 173.24 172.80 3ksy s VAL 524 N -1.36 3.64 -0.22 3.43 1.01 -0.11 -4.86 120.40 121.94 3ksy s VAL 524 Ca 0.54 -0.43 -0.23 0.00 0.00 0.00 0.00 61.98 61.86 3ksy s VAL 524 Cb -0.31 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 3ksy s VAL 524 CO 0.40 0.47 0.75 -0.63 0.00 0.00 0.00 175.10 176.08 3ksy s ILE 525 N 0.78 4.91 -0.32 2.22 -1.09 -1.26 -2.65 121.20 123.79 3ksy s ILE 525 Ca -0.02 1.41 -0.09 0.00 -2.23 0.00 0.00 60.65 59.73 3ksy s ILE 525 Cb -0.15 -4.05 0.01 0.00 -1.58 0.00 0.00 42.46 36.69 3ksy s ILE 525 CO 0.02 0.00 0.14 -0.36 -1.23 0.00 0.00 174.94 173.51 3ksy s PHE 526 N 2.46 3.19 0.26 3.97 0.08 -0.80 -2.41 117.98 124.73 3ksy s PHE 526 Ca 0.32 -0.84 -0.01 0.00 0.12 0.00 0.00 56.93 56.53 3ksy s PHE 526 Cb -0.16 -2.33 -0.04 0.00 -0.57 0.00 0.00 43.02 39.92 3ksy s PHE 526 CO 0.09 -0.55 0.46 0.45 -0.10 0.00 0.00 175.22 175.57 3ksy s SER 527 N 1.55 6.37 0.30 1.36 0.15 -0.94 -1.77 113.70 120.71 3ksy s SER 527 Ca 0.03 0.44 0.07 0.00 0.70 0.00 0.00 55.95 57.19 3ksy s SER 527 Cb -0.18 -2.02 -0.06 0.00 -1.71 0.00 0.00 66.02 62.05 3ksy s SER 527 CO 0.05 -0.14 -0.06 0.00 1.20 0.00 0.00 173.24 174.29 3ksy s ALA 528 N -2.04 2.50 0.01 5.45 0.00 -0.16 -2.13 121.76 125.39 3ksy s ALA 528 Ca 0.39 -1.97 -0.25 0.00 0.00 0.00 0.00 51.96 50.14 3ksy s ALA 528 Cb -0.10 0.17 -0.16 0.00 0.00 0.00 0.00 23.12 23.03 3ksy s ALA 528 CO 0.31 -0.06 1.19 0.87 0.00 0.00 0.00 175.76 178.07 3ksy h LYS 529 N 2.20 -0.48 -4.99 0.00 6.56 -1.87 -3.42 116.57 114.57 3ksy h LYS 529 Ca -0.41 0.03 -0.38 0.00 -1.06 0.00 0.00 60.65 58.84 3ksy h LYS 529 Cb 1.24 0.11 -0.14 0.00 -0.57 0.00 0.00 32.23 32.86 3ksy h LYS 529 CO 0.68 -0.16 -0.62 -1.54 -2.06 0.00 0.00 179.45 175.75 3ksy s SER 530 N -4.99 1.55 0.56 0.86 1.04 -1.26 -4.98 113.70 106.48 3ksy s SER 530 Ca -0.14 -1.35 0.32 0.00 0.48 0.00 0.00 55.95 55.26 3ksy s SER 530 Cb 0.02 0.08 1.65 0.00 0.10 0.00 0.00 66.02 67.88 3ksy s SER 530 CO 0.52 -0.67 2.12 0.00 0.98 0.00 0.00 173.24 176.19 3ksy h ALA 531 N 2.34 1.17 -0.28 5.32 0.00 -1.95 -1.89 119.26 123.96 3ksy h ALA 531 Ca -0.39 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.47 3ksy h ALA 531 Cb 1.24 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3ksy h ALA 531 CO 0.63 0.08 0.17 1.49 0.00 0.00 0.00 179.25 181.63 3ksy h GLU 532 N 0.00 0.34 0.00 0.00 4.81 -2.00 -1.47 114.58 116.26 3ksy h GLU 532 Ca -0.00 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 3ksy h GLU 532 Cb 0.29 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3ksy h GLU 532 CO 0.01 0.23 -0.59 0.93 -0.73 0.00 0.00 179.01 178.86 3ksy h GLU 533 N 0.36 0.00 -0.14 1.92 5.08 -1.91 -3.12 114.58 116.78 3ksy h GLU 533 Ca 0.11 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3ksy h GLU 533 Cb -0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3ksy h GLU 533 CO -0.04 0.38 0.06 -0.22 -1.00 0.00 0.00 179.01 178.19 3ksy h LYS 534 N 0.00 0.13 -0.13 2.33 3.64 -0.98 -1.28 116.57 120.29 3ksy h LYS 534 Ca -0.03 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 3ksy h LYS 534 Cb 1.34 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 3ksy h LYS 534 CO 0.05 0.09 -0.22 -0.91 -2.27 0.00 0.00 179.45 176.19 3ksy h ASN 535 N 0.14 0.21 0.37 4.20 2.35 -1.35 -1.22 115.58 120.27 3ksy h ASN 535 Ca 0.06 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3ksy h ASN 535 Cb 0.02 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3ksy h ASN 535 CO -0.04 0.44 -0.18 0.78 -1.65 0.00 0.00 177.43 176.78 3ksy h ASN 536 N 0.20 -0.42 0.33 5.81 2.35 -1.34 -0.09 115.58 122.41 3ksy h ASN 536 Ca 0.03 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 3ksy h ASN 536 Cb 0.50 0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.99 3ksy h ASN 536 CO 0.03 -0.28 -0.16 -0.50 -1.65 0.00 0.00 177.43 174.88 3ksy h TRP 537 N -0.53 -0.41 -0.77 1.19 4.06 -1.15 -2.72 115.95 115.63 3ksy h TRP 537 Ca -0.05 -0.01 0.21 0.00 2.06 0.00 0.00 58.89 61.10 3ksy h TRP 537 Cb 0.40 0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 28.66 3ksy h TRP 537 CO -0.04 -0.18 0.54 0.52 -3.56 0.00 0.00 178.44 175.72 3ksy h MET 538 N -0.56 0.07 0.02 0.49 2.86 -1.23 -0.42 114.93 116.17 3ksy h MET 538 Ca -0.04 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3ksy h MET 538 Cb 0.41 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.06 3ksy h MET 538 CO 0.07 0.05 -0.01 0.00 1.06 0.00 0.00 176.91 178.08 3ksy h ALA 539 N 1.63 -0.83 -0.84 6.32 0.00 -0.69 -1.89 119.26 122.97 3ksy h ALA 539 Ca 0.37 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.34 3ksy h ALA 539 Cb 1.36 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 3ksy h ALA 539 CO -0.03 -0.83 0.51 0.00 0.00 0.00 0.00 179.25 178.90 3ksy h ALA 540 N -1.98 1.15 0.77 0.00 0.00 -1.35 -1.51 119.26 116.34 3ksy h ALA 540 Ca -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3ksy h ALA 540 Cb 0.02 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.61 3ksy h ALA 540 CO 0.01 0.24 -0.37 -0.07 0.00 0.00 0.00 179.25 179.06 3ksy h LEU 541 N 0.93 -0.88 -1.84 0.00 3.38 -1.17 -2.95 115.31 112.77 3ksy h LEU 541 Ca 0.37 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.45 3ksy h LEU 541 Cb 0.19 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3ksy h LEU 541 CO -0.18 -0.60 0.28 0.40 0.09 0.00 0.00 178.44 178.43 3ksy h ILE 542 N -1.09 0.89 -0.73 1.22 1.08 -1.28 -2.40 117.51 115.19 3ksy h ILE 542 Ca -0.11 -0.06 -0.04 0.00 -0.39 0.00 0.00 64.86 64.26 3ksy h ILE 542 Cb 0.80 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 35.20 3ksy h ILE 542 CO 0.17 0.03 0.30 0.28 -0.69 0.00 0.00 178.15 178.25 3ksy h SER 543 N 0.18 0.97 0.43 1.72 0.02 -1.13 -2.32 113.55 113.44 3ksy h SER 543 Ca 0.19 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3ksy h SER 543 Cb 0.51 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3ksy h SER 543 CO -0.03 0.86 -0.21 0.25 -1.14 0.00 0.00 176.83 176.56 3ksy h LEU 544 N 1.04 -0.49 -0.00 5.07 7.12 -1.27 -0.87 115.31 125.92 3ksy h LEU 544 Ca 0.25 -0.10 0.00 0.00 0.13 0.00 0.00 57.88 58.15 3ksy h LEU 544 Cb 0.17 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.43 3ksy h LEU 544 CO -0.02 -0.14 -0.05 1.67 -0.13 0.00 0.00 178.44 179.77 3ksy n GLN 545 N -5.22 0.00 -0.00 1.25 7.27 -1.24 -3.73 117.38 115.70 3ksy n GLN 545 Ca -0.10 -0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.03 3ksy n GLN 545 Cb 0.29 -1.50 -0.09 0.00 2.41 0.00 0.00 30.24 31.35 3ksy n GLN 545 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 3ksy n TYR 546 N -1.50 0.00 -0.30 3.69 9.36 -0.87 -4.50 117.16 123.04 3ksy n TYR 546 Ca 0.07 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.31 3ksy n TYR 546 Cb 0.34 -0.24 0.21 0.00 -0.63 0.00 0.00 39.34 39.02 3ksy n TYR 546 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3ksy h ARG 547 N 0.00 1.07 -0.04 2.98 -0.00 -1.24 -2.71 114.38 114.45 3ksy h ARG 547 Ca 0.00 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.98 59.41 3ksy h ARG 547 Cb 0.52 -0.24 -0.00 0.00 0.00 0.00 0.00 29.97 30.24 3ksy h ARG 547 CO 0.00 0.71 0.02 1.03 0.00 0.00 0.00 179.97 181.73 3ksy h SER 548 N 1.10 0.05 -1.00 7.04 0.87 -1.79 -2.41 113.55 117.40 3ksy h SER 548 Ca 0.36 -0.09 0.13 0.00 -1.23 0.00 0.00 61.79 60.95 3ksy h SER 548 Cb 0.04 -0.01 -0.09 0.00 -0.44 0.00 0.00 62.40 61.90 3ksy h SER 548 CO -0.11 0.12 0.63 0.74 -0.53 0.00 0.00 176.83 177.68 3ksy h THR 549 N -0.03 0.90 0.61 2.23 2.02 -1.74 -1.84 112.91 115.05 3ksy h THR 549 Ca 0.01 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 3ksy h THR 549 Cb 0.09 -0.15 0.01 0.00 -1.74 0.00 0.00 68.15 66.35 3ksy h THR 549 CO -0.00 0.18 -0.29 -0.07 0.37 0.00 0.00 175.52 175.70 3ksy h LEU 550 N 0.96 -0.69 -1.95 2.58 3.38 -1.30 -0.49 115.31 117.81 3ksy h LEU 550 Ca 0.50 0.02 0.25 0.00 0.09 0.00 0.00 57.88 58.75 3ksy h LEU 550 Cb 0.54 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3ksy h LEU 550 CO -0.27 -0.48 0.68 -0.33 0.09 0.00 0.00 178.44 178.12 3ksy h GLU 551 N -0.84 0.00 0.07 1.13 4.39 -1.17 0.20 114.58 118.36 3ksy h GLU 551 Ca -0.08 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.50 3ksy h GLU 551 Cb 0.63 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.29 3ksy h GLU 551 CO 0.14 0.00 -0.48 0.00 -1.16 0.00 0.00 179.01 177.50 3ksy h ARG 552 N 0.00 0.21 0.00 2.33 3.08 -1.17 -2.93 114.38 115.89 3ksy h ARG 552 Ca 0.41 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 3ksy h ARG 552 Cb 1.77 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.92 3ksy h ARG 552 CO -0.00 1.11 -0.24 0.52 -1.07 0.00 0.00 179.97 180.29 3ksy h MET 553 N -0.54 0.00 -0.06 0.04 2.86 0.71 -2.44 114.93 115.49 3ksy h MET 553 Ca -0.08 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 3ksy h MET 553 Cb 1.34 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.00 3ksy h MET 553 CO 0.09 0.24 -0.06 1.25 1.06 0.00 0.00 176.91 179.49 3ksy h LEU 554 N 0.00 0.16 -1.41 1.22 5.85 -0.77 -2.35 115.31 118.02 3ksy h LEU 554 Ca -0.00 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 3ksy h LEU 554 Cb 0.47 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3ksy h LEU 554 CO 0.03 0.61 0.24 0.44 -0.34 0.00 0.00 178.44 179.41 3ksy h ASP 555 N -0.28 0.57 -0.38 1.25 3.32 -1.33 -0.11 116.42 119.47 3ksy h ASP 555 Ca 0.01 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 3ksy h ASP 555 Cb 0.56 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3ksy h ASP 555 CO 0.01 0.48 -0.00 0.58 -1.72 0.00 0.00 179.24 178.59 3ksy h VAL 556 N 0.64 1.26 0.31 -1.35 2.07 -1.41 -1.64 116.25 116.13 3ksy h VAL 556 Ca 0.16 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 3ksy h VAL 556 Cb 0.05 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3ksy h VAL 556 CO -0.02 0.33 -0.15 0.74 0.02 0.00 0.00 177.57 178.49 3ksy h THR 557 N 0.49 0.71 -0.50 2.57 2.02 -0.89 -1.77 112.91 115.54 3ksy h THR 557 Ca 0.11 -0.52 0.09 0.00 0.77 0.00 0.00 66.41 66.86 3ksy h THR 557 Cb 0.47 0.97 -0.08 0.00 -1.74 0.00 0.00 68.15 67.78 3ksy h THR 557 CO 0.02 0.10 0.04 0.24 0.37 0.00 0.00 175.52 176.29 3ksy h MET 558 N -0.71 0.16 -0.73 6.66 2.07 -1.06 -0.30 114.93 121.02 3ksy h MET 558 Ca -0.04 -0.01 -0.03 0.00 -2.07 0.00 0.00 59.70 57.55 3ksy h MET 558 Cb 0.49 -0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 30.15 3ksy h MET 558 CO 0.07 0.10 0.33 1.25 1.07 0.00 0.00 176.91 179.73 3ksy h LEU 559 N 0.16 0.96 -0.72 1.22 6.46 -1.31 -2.71 115.31 119.37 3ksy h LEU 559 Ca 0.26 -0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 57.84 3ksy h LEU 559 Cb 0.37 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 3ksy h LEU 559 CO -0.38 0.82 0.24 -0.61 -0.62 0.00 0.00 178.44 177.89 3ksy h GLN 560 N 1.04 1.11 -0.89 1.25 5.75 -0.19 -2.93 115.11 120.26 3ksy h GLN 560 Ca 0.25 -0.23 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 3ksy h GLN 560 Cb 0.14 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.48 3ksy h GLN 560 CO -0.03 0.94 0.47 0.93 -2.65 0.00 0.00 178.83 178.50 3ksy h GLU 561 N 1.06 1.26 0.00 1.69 5.08 -0.81 -1.95 114.58 120.90 3ksy h GLU 561 Ca 0.23 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3ksy h GLU 561 Cb 0.29 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3ksy h GLU 561 CO -0.01 0.93 -0.20 1.49 -1.00 0.00 0.00 179.01 180.22 3ksy h GLU 562 N 1.26 0.00 0.03 2.33 4.81 -1.34 -2.31 114.58 119.36 3ksy h GLU 562 Ca 0.31 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.34 3ksy h GLU 562 Cb 0.05 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.45 3ksy h GLU 562 CO -0.05 0.20 -0.81 -0.22 -0.73 0.00 0.00 179.01 177.40 3ksy h LYS 563 N 0.00 0.49 -0.24 1.92 3.64 -1.25 -3.30 116.57 117.83 3ksy h LYS 563 Ca -0.00 -0.57 -0.07 0.00 -1.27 0.00 0.00 60.65 58.74 3ksy h LYS 563 Cb 0.40 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3ksy h LYS 563 CO 0.03 1.21 -0.15 0.93 -2.27 0.00 0.00 179.45 179.20 3ksy h GLU 564 N 0.02 0.40 -5.99 1.90 5.08 -1.13 -3.38 114.58 111.49 3ksy h GLU 564 Ca -0.11 -0.11 -0.49 0.00 -1.00 0.00 0.00 59.36 57.64 3ksy h GLU 564 Cb 1.52 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.64 3ksy h GLU 564 CO 0.16 0.55 1.22 -1.21 -1.00 0.00 0.00 179.01 178.73 3ksy s GLU 565 N -4.69 3.20 -0.34 2.33 2.02 -0.89 -4.95 118.70 115.38 3ksy s GLU 565 Ca -0.06 -0.76 -0.29 0.00 0.02 0.00 0.00 54.97 53.87 3ksy s GLU 565 Cb 0.15 -5.18 0.01 0.00 0.10 0.00 0.00 34.13 29.20 3ksy s GLU 565 CO 0.76 -2.61 1.25 1.14 0.02 0.00 0.00 175.26 175.82 3ksy s GLN 566 N 5.74 3.88 -0.19 1.61 -2.07 -1.26 -4.96 119.66 122.41 3ksy s GLN 566 Ca 0.54 1.08 -0.01 0.00 -1.82 0.00 0.00 55.36 55.15 3ksy s GLN 566 Cb -0.03 -3.87 0.00 0.00 -1.09 0.00 0.00 33.01 28.02 3ksy s GLN 566 CO -0.05 -1.17 -0.12 -1.64 -1.32 0.00 0.00 175.29 171.00 3ksy s MET 567 N 4.20 3.24 -0.00 9.60 -1.94 -1.26 -5.10 119.30 128.03 3ksy s MET 567 Ca 0.54 -0.71 -0.22 0.00 -1.71 0.00 0.00 55.69 53.59 3ksy s MET 567 Cb -0.14 -2.77 -0.05 0.00 2.01 0.00 0.00 34.83 33.87 3ksy s MET 567 CO 0.24 -0.12 0.64 1.03 -0.01 0.00 0.00 175.02 176.80 3ksy s ARG 568 N 1.19 4.37 0.38 2.03 0.52 -1.26 -5.04 118.95 121.14 3ksy s ARG 568 Ca 0.02 0.81 -0.27 0.00 -0.52 0.00 0.00 55.73 55.77 3ksy s ARG 568 Cb -0.14 -3.36 -0.10 0.00 0.52 0.00 0.00 34.95 31.87 3ksy s ARG 568 CO -0.05 0.32 1.41 -0.51 0.02 0.00 0.00 175.30 176.50 3ksy s LEU 569 N -0.07 4.30 0.51 2.53 1.02 -1.26 -4.93 118.68 120.78 3ksy s LEU 569 Ca 0.33 2.90 -0.20 0.00 0.02 0.00 0.00 54.13 57.18 3ksy s LEU 569 Cb -0.19 -3.74 -0.09 0.00 0.02 0.00 0.00 46.19 42.19 3ksy s LEU 569 CO 0.18 -0.84 0.70 -2.65 0.02 0.00 0.00 176.35 173.76 3ksy n PRO 570 N 0.38 0.76 -1.65 1.29 -0.02 -1.26 -4.78 135.00 129.73 3ksy n PRO 570 Ca 0.02 0.29 -0.48 0.00 -2.02 0.00 0.00 63.50 61.30 3ksy n PRO 570 Cb 0.41 -1.81 -0.05 0.00 -0.02 0.00 0.00 33.50 32.03 3ksy n PRO 570 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ksy n SER 571 N 0.46 3.28 0.00 2.55 2.88 -1.26 -4.81 113.62 116.71 3ksy n SER 571 Ca 0.11 0.84 0.02 0.00 -1.33 0.00 0.00 58.87 58.51 3ksy n SER 571 Cb 0.44 -1.37 0.12 0.00 -0.75 0.00 0.00 64.21 62.65 3ksy n SER 571 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ksy n ALA 572 N 7.51 1.35 0.03 -1.46 0.00 -1.26 -0.94 120.51 125.73 3ksy n ALA 572 Ca 0.26 -0.02 -0.21 0.00 0.00 0.00 0.00 53.44 53.47 3ksy n ALA 572 Cb 0.30 -1.08 -0.14 0.00 0.00 0.00 0.00 19.45 18.53 3ksy n ALA 572 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3ksy h ASP 573 N 0.00 0.45 0.05 0.00 3.32 -1.97 -3.37 116.42 114.89 3ksy h ASP 573 Ca 0.00 -0.88 0.00 0.00 0.02 0.00 0.00 57.03 56.17 3ksy h ASP 573 Cb 0.06 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3ksy h ASP 573 CO 0.00 1.77 -0.37 1.33 -1.72 0.00 0.00 179.24 180.26 3ksy n VAL 574 N -3.49 0.00 -3.40 -1.35 0.24 -0.75 -4.77 118.33 104.81 3ksy n VAL 574 Ca -0.28 -0.24 -0.17 0.00 -2.04 0.00 0.00 64.34 61.60 3ksy n VAL 574 Cb 1.06 1.01 -0.10 0.00 -1.47 0.00 0.00 33.84 34.34 3ksy n VAL 574 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3ksy s TYR 575 N -2.44 -0.45 0.38 6.34 5.04 -0.12 -4.83 117.35 121.28 3ksy s TYR 575 Ca 0.21 -0.19 0.05 0.00 -2.44 0.00 0.00 57.07 54.71 3ksy s TYR 575 Cb 0.19 -0.47 0.74 0.00 0.35 0.00 0.00 41.96 42.76 3ksy s TYR 575 CO 0.53 -0.92 1.99 0.00 -1.34 0.00 0.00 175.55 175.81 3ksy h ARG 576 N 8.27 0.58 0.00 4.97 3.08 -1.84 -2.19 114.38 127.25 3ksy h ARG 576 Ca -0.13 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3ksy h ARG 576 Cb 1.07 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.01 3ksy h ARG 576 CO 0.34 0.45 0.00 1.19 -1.07 0.00 0.00 179.97 180.88 3ksy n PHE 577 N -4.40 0.00 0.21 3.04 3.01 -1.26 -2.82 117.46 115.23 3ksy n PHE 577 Ca 0.03 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.60 3ksy n PHE 577 Cb 0.12 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.57 3ksy n PHE 577 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ksy n ALA 578 N -0.83 2.79 -1.67 4.37 0.00 -0.82 -4.94 120.51 119.40 3ksy n ALA 578 Ca 0.11 -0.33 -0.45 0.00 0.00 0.00 0.00 53.44 52.77 3ksy n ALA 578 Cb 0.05 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.45 3ksy n ALA 578 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3ksy n GLU 579 N -2.41 2.12 -0.67 0.00 2.13 -1.13 -4.90 120.64 115.79 3ksy n GLU 579 Ca -0.00 0.76 -0.31 0.00 0.66 0.00 0.00 57.16 58.26 3ksy n GLU 579 Cb 0.52 -2.49 0.17 0.00 0.27 0.00 0.00 31.44 29.92 3ksy n GLU 579 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3ksy n PRO 580 N 2.84 -1.17 -3.76 5.31 -0.02 -1.26 -5.00 135.00 131.94 3ksy n PRO 580 Ca 0.15 -0.30 -0.36 0.00 -2.02 0.00 0.00 63.50 60.96 3ksy n PRO 580 Cb 0.30 -1.98 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 3ksy n PRO 580 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ksy s ASP 581 N -2.17 6.52 0.00 2.55 1.11 -1.26 -5.01 116.67 118.40 3ksy s ASP 581 Ca 0.61 0.60 0.00 0.00 0.18 0.00 0.00 52.55 53.94 3ksy s ASP 581 Cb -0.20 -2.11 0.00 0.00 1.07 0.00 0.00 42.92 41.68 3ksy s ASP 581 CO 0.65 0.34 0.00 -1.54 1.18 0.00 0.00 175.17 175.80 3ksy n SER 582 N 1.66 0.00 -1.94 0.27 3.41 -1.26 -5.04 113.62 110.71 3ksy n SER 582 Ca -0.16 -0.10 -0.08 0.00 -0.26 0.00 0.00 58.87 58.28 3ksy n SER 582 Cb 0.54 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.77 3ksy n SER 582 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ksy n GLU 583 N 0.00 3.41 0.00 4.33 1.02 -1.26 -3.67 120.64 124.47 3ksy n GLU 583 Ca 0.00 -3.08 0.00 0.00 -0.02 0.00 0.00 57.16 54.06 3ksy n GLU 583 Cb 0.00 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.24 3ksy n GLU 583 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3ksy n GLU 584 N -0.36 -0.09 0.00 3.49 0.28 -1.26 -4.72 120.64 117.99 3ksy n GLU 584 Ca 0.42 -0.10 0.00 0.00 -0.16 0.00 0.00 57.16 57.33 3ksy n GLU 584 Cb 1.39 -0.56 0.00 0.00 1.43 0.00 0.00 31.44 33.70 3ksy n GLU 584 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 3ksy n ASN 585 N -0.00 0.30 -3.56 -1.84 2.04 -1.26 -4.81 115.26 106.13 3ksy n ASN 585 Ca 0.00 -0.12 -0.15 0.00 -0.44 0.00 0.00 54.58 53.87 3ksy n ASN 585 Cb 0.24 0.31 -0.06 0.00 -2.53 0.00 0.00 39.78 37.74 3ksy n ASN 585 CO 0.00 0.00 0.00 -0.51 -0.44 0.00 0.00 177.26 176.31 3ksy s ILE 586 N -0.37 0.00 0.07 1.53 2.07 -1.24 -2.71 121.20 120.54 3ksy s ILE 586 Ca 0.00 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.28 3ksy s ILE 586 Cb 0.00 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 3ksy s ILE 586 CO 0.00 0.00 -0.12 -0.63 -1.91 0.00 0.00 174.94 172.28 3ksy s ILE 587 N -0.74 0.93 0.20 2.00 1.01 0.11 -4.38 121.20 120.33 3ksy s ILE 587 Ca -0.06 -1.28 0.05 0.00 0.00 0.00 0.00 60.65 59.37 3ksy s ILE 587 Cb -0.02 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.43 3ksy s ILE 587 CO 0.05 -0.30 -0.08 -0.36 0.00 0.00 0.00 174.94 174.24 3ksy s PHE 588 N -1.43 1.55 -0.13 3.97 0.08 -1.26 -1.32 117.98 119.44 3ksy s PHE 588 Ca -0.03 -0.74 -0.02 0.00 0.12 0.00 0.00 56.93 56.26 3ksy s PHE 588 Cb -0.09 -0.81 -0.03 0.00 -0.57 0.00 0.00 43.02 41.52 3ksy s PHE 588 CO 0.02 0.16 -0.06 -1.21 -0.10 0.00 0.00 175.22 174.02 3ksy s GLU 589 N -3.74 3.39 0.08 0.44 0.41 -1.23 -4.73 118.70 113.31 3ksy s GLU 589 Ca 0.23 -0.55 -0.08 0.00 -0.41 0.00 0.00 54.97 54.16 3ksy s GLU 589 Cb 0.03 -2.79 -0.24 0.00 -1.78 0.00 0.00 34.13 29.34 3ksy s GLU 589 CO 0.06 0.36 1.16 0.93 -0.49 0.00 0.00 175.26 177.28 3ksy h GLU 590 N 6.30 0.41 0.61 1.61 3.07 -1.95 -3.39 114.58 121.24 3ksy h GLU 590 Ca -0.35 -0.59 -0.02 0.00 -0.50 0.00 0.00 59.36 57.90 3ksy h GLU 590 Cb 1.19 0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 29.30 3ksy h GLU 590 CO 0.59 1.25 -0.39 -0.97 -1.40 0.00 0.00 179.01 178.09 3ksy h ASN 591 N 0.17 -0.98 -1.09 1.42 -1.24 -2.00 -3.09 115.58 108.75 3ksy h ASN 591 Ca -0.15 0.06 0.36 0.00 0.71 0.00 0.00 56.30 57.28 3ksy h ASN 591 Cb 1.88 0.29 -0.14 0.00 0.73 0.00 0.00 38.32 41.08 3ksy h ASN 591 CO 0.21 -0.60 0.65 0.00 -1.29 0.00 0.00 177.43 176.40 3ksy h MET 592 N -0.95 0.22 -3.50 6.67 -0.00 -2.01 -3.38 114.93 111.98 3ksy h MET 592 Ca -0.07 -0.01 -0.43 0.00 -0.00 0.00 0.00 59.70 59.18 3ksy h MET 592 Cb 0.77 -0.05 -0.39 0.00 -0.00 0.00 0.00 31.60 31.93 3ksy h MET 592 CO 0.07 0.15 -0.76 -0.65 -0.00 0.00 0.00 176.91 175.72 3ksy s GLN 593 N -5.53 0.37 0.08 -0.10 -1.52 -1.17 -5.02 119.66 106.77 3ksy s GLN 593 Ca -0.09 0.08 -0.08 0.00 -1.95 0.00 0.00 55.36 53.32 3ksy s GLN 593 Cb 0.30 -1.11 -0.25 0.00 -0.22 0.00 0.00 33.01 31.73 3ksy s GLN 593 CO 0.80 -0.40 1.15 -1.35 -0.25 0.00 0.00 175.29 175.24 3ksy h PRO 594 N 8.36 0.41 -0.22 2.91 0.11 -1.75 -3.39 132.00 138.43 3ksy h PRO 594 Ca -0.17 -0.61 0.02 0.00 0.11 0.00 0.00 66.00 65.36 3ksy h PRO 594 Cb 1.13 0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.42 3ksy h PRO 594 CO 0.25 1.26 0.07 0.87 -0.21 0.00 0.00 178.00 180.24 3ksy h LYS 595 N 0.16 0.17 0.00 1.05 1.57 -1.95 -3.46 116.57 114.10 3ksy h LYS 595 Ca -0.15 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 3ksy h LYS 595 Cb 1.91 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 34.18 3ksy h LYS 595 CO 0.21 0.11 -0.02 0.00 -0.57 0.00 0.00 179.45 179.18 3ksy h ALA 596 N 1.14 0.99 -0.36 3.86 0.00 -1.96 -3.51 119.26 119.42 3ksy h ALA 596 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ksy h ALA 596 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ksy h ALA 596 CO -0.11 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.58 3ksy n GLY 597 N 1.02 2.43 3.65 0.00 0.00 -1.26 -4.71 105.19 106.32 3ksy n GLY 597 Ca 0.04 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3ksy n GLY 597 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ksy s ILE 598 N 0.00 3.14 0.46 -0.61 -1.09 -1.26 -4.94 121.20 116.89 3ksy s ILE 598 Ca 0.00 0.17 -0.23 0.00 -2.23 0.00 0.00 60.65 58.35 3ksy s ILE 598 Cb 0.00 -3.12 -0.07 0.00 -1.58 0.00 0.00 42.46 37.68 3ksy s ILE 598 CO 0.00 -0.03 1.21 -2.84 -1.23 0.00 0.00 174.94 172.05 3ksy s PRO 599 N 4.75 3.74 0.00 2.79 0.02 -1.26 -4.95 135.00 140.10 3ksy s PRO 599 Ca 0.87 1.90 -0.01 0.00 0.02 0.00 0.00 61.00 63.79 3ksy s PRO 599 Cb -0.38 -2.47 -0.01 0.00 0.02 0.00 0.00 34.50 31.65 3ksy s PRO 599 CO 0.38 -0.60 0.01 0.42 -0.33 0.00 0.00 177.00 176.88 3ksy s ILE 600 N -1.45 0.05 -0.15 2.83 1.01 -1.26 -5.11 121.20 117.12 3ksy s ILE 600 Ca 0.63 -0.45 -0.05 0.00 0.00 0.00 0.00 60.65 60.78 3ksy s ILE 600 Cb -0.32 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 3ksy s ILE 600 CO 0.39 -0.25 0.04 0.27 0.00 0.00 0.00 174.94 175.39 3ksy s ILE 601 N -0.73 4.57 -0.10 2.92 -4.36 -1.26 -3.58 121.20 118.66 3ksy s ILE 601 Ca -0.08 -0.12 -0.22 0.00 -0.26 0.00 0.00 60.65 59.96 3ksy s ILE 601 Cb -0.05 -3.01 -0.28 0.00 1.25 0.00 0.00 42.46 40.37 3ksy s ILE 601 CO -0.00 0.52 0.71 0.50 0.24 0.00 0.00 174.94 176.91 3ksy h LYS 602 N 6.16 0.18 -3.14 0.37 3.64 -1.49 -3.42 116.57 118.88 3ksy h LYS 602 Ca -0.41 -0.32 -0.03 0.00 -1.27 0.00 0.00 60.65 58.63 3ksy h LYS 602 Cb 1.18 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.10 3ksy h LYS 602 CO 0.64 1.15 0.21 0.00 -2.27 0.00 0.00 179.45 179.18 3ksy s ALA 603 N -2.38 -0.66 0.00 5.00 0.00 -1.25 0.22 121.76 122.68 3ksy s ALA 603 Ca -0.18 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.03 3ksy s ALA 603 Cb 0.01 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.90 3ksy s ALA 603 CO 0.76 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.95 3ksy n GLY 604 N -0.52 3.65 3.66 0.00 0.00 -1.11 -0.71 105.19 110.15 3ksy n GLY 604 Ca -0.06 -1.11 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 3ksy n GLY 604 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ksy s THR 605 N -2.00 2.30 0.36 2.61 -1.32 -1.10 -2.68 115.64 113.81 3ksy s THR 605 Ca 0.00 0.10 0.08 0.00 -1.21 0.00 0.00 61.69 60.66 3ksy s THR 605 Cb 0.00 -2.23 0.31 0.00 -1.51 0.00 0.00 72.50 69.07 3ksy s THR 605 CO 0.00 -0.13 1.91 0.58 -2.21 0.00 0.00 174.62 174.77 3ksy h VAL 606 N -1.86 0.91 0.41 5.08 2.07 -1.95 -1.23 116.25 119.69 3ksy h VAL 606 Ca -0.47 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 3ksy h VAL 606 Cb 1.27 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3ksy h VAL 606 CO 0.45 0.13 -0.21 0.40 0.02 0.00 0.00 177.57 178.36 3ksy h ILE 607 N 0.69 0.58 -0.64 4.57 1.08 -1.96 -1.63 117.51 120.20 3ksy h ILE 607 Ca 0.39 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.81 3ksy h ILE 607 Cb 0.55 0.58 -0.03 0.00 -3.07 0.00 0.00 36.82 34.85 3ksy h ILE 607 CO -0.15 0.00 0.20 0.11 -0.69 0.00 0.00 178.15 177.62 3ksy h LYS 608 N -0.57 0.97 -0.67 2.37 6.56 -1.75 -1.47 116.57 122.02 3ksy h LYS 608 Ca -0.06 -0.19 0.05 0.00 -1.06 0.00 0.00 60.65 59.39 3ksy h LYS 608 Cb 0.44 -0.15 -0.05 0.00 -0.57 0.00 0.00 32.23 31.90 3ksy h LYS 608 CO 0.09 0.83 0.39 -0.07 -2.06 0.00 0.00 179.45 178.63 3ksy h LEU 609 N 0.94 0.61 -0.79 2.94 4.07 -1.01 -0.34 115.31 121.72 3ksy h LEU 609 Ca 0.21 0.02 -0.13 0.00 0.08 0.00 0.00 57.88 58.06 3ksy h LEU 609 Cb 0.26 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 41.88 3ksy h LEU 609 CO -0.01 0.41 -0.59 0.40 -1.08 0.00 0.00 178.44 177.57 3ksy h ILE 610 N 0.74 1.41 -0.41 1.22 2.04 -1.03 -0.79 117.51 120.70 3ksy h ILE 610 Ca 0.28 -2.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.14 3ksy h ILE 610 Cb 0.11 2.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 3ksy h ILE 610 CO -0.15 0.58 0.23 -0.08 0.00 0.00 0.00 178.15 178.73 3ksy h GLU 611 N 0.04 0.56 0.00 2.37 4.81 -0.18 -1.19 114.58 121.00 3ksy h GLU 611 Ca -0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3ksy h GLU 611 Cb 1.05 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.32 3ksy h GLU 611 CO 0.08 0.45 0.00 0.00 -0.73 0.00 0.00 179.01 178.81 3ksy h ARG 612 N 0.53 0.00 0.00 1.92 2.47 -0.95 0.95 114.38 119.30 3ksy h ARG 612 Ca 0.14 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.78 3ksy h ARG 612 Cb 0.04 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 3ksy h ARG 612 CO -0.02 0.00 -0.41 1.25 0.56 0.00 0.00 179.97 181.35 3ksy h LEU 613 N 0.00 0.00 -4.94 3.04 5.85 -0.20 -3.29 115.31 115.77 3ksy h LEU 613 Ca 0.00 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.35 3ksy h LEU 613 Cb 0.68 0.00 -0.41 0.00 0.37 0.00 0.00 40.66 41.30 3ksy h LEU 613 CO 0.00 0.41 -1.06 0.35 -0.34 0.00 0.00 178.44 177.80 3ksy n THR 614 N -3.43 1.46 -2.01 1.05 -2.24 -0.54 -4.88 114.28 103.70 3ksy n THR 614 Ca 0.00 -3.39 -0.42 0.00 -2.27 0.00 0.00 64.05 57.97 3ksy n THR 614 Cb 0.57 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 69.21 3ksy n THR 614 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3ksy s TYR 615 N -3.49 1.95 0.25 4.78 5.04 0.30 -4.48 117.35 121.70 3ksy s TYR 615 Ca 0.33 0.27 -0.04 0.00 -2.44 0.00 0.00 57.07 55.19 3ksy s TYR 615 Cb 0.39 -3.94 0.47 0.00 0.35 0.00 0.00 41.96 39.23 3ksy s TYR 615 CO -0.02 -3.69 1.70 1.12 -1.34 0.00 0.00 175.55 173.32 3ksy h HIS 616 N 10.09 0.37 0.82 4.97 2.07 -1.87 -3.08 115.15 128.53 3ksy h HIS 616 Ca -0.38 0.04 -0.04 0.00 -2.85 0.00 0.00 60.37 57.14 3ksy h HIS 616 Cb 1.18 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 31.11 3ksy h HIS 616 CO 0.90 -0.04 -0.47 0.52 -3.07 0.00 0.00 177.93 175.77 3ksy h MET 617 N 0.33 -1.15 -5.37 5.12 2.86 -1.94 -3.45 114.93 111.33 3ksy h MET 617 Ca 0.42 0.08 -0.42 0.00 -2.06 0.00 0.00 59.70 57.72 3ksy h MET 617 Cb 0.70 0.26 -0.14 0.00 0.06 0.00 0.00 31.60 32.48 3ksy h MET 617 CO -0.47 -0.77 -0.71 1.52 1.06 0.00 0.00 176.91 177.54 3ksy s TYR 618 N -5.78 1.64 -0.11 -0.22 -0.85 -1.16 -5.14 117.35 105.73 3ksy s TYR 618 Ca -0.18 -0.69 0.01 0.00 -0.52 0.00 0.00 57.07 55.69 3ksy s TYR 618 Cb 0.02 -0.84 -0.02 0.00 0.38 0.00 0.00 41.96 41.50 3ksy s TYR 618 CO 0.57 0.22 -0.13 0.00 -1.52 0.00 0.00 175.55 174.68 3ksy s ALA 619 N -3.13 2.64 -0.27 9.51 0.00 -1.26 -4.28 121.76 124.97 3ksy s ALA 619 Ca 0.24 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.26 3ksy s ALA 619 Cb 0.02 -1.14 0.03 0.00 0.00 0.00 0.00 23.12 22.03 3ksy s ALA 619 CO 0.07 0.34 -0.03 -0.51 0.00 0.00 0.00 175.76 175.63 3ksy s ASP 620 N 0.02 4.57 -0.02 0.00 1.01 -1.26 -5.00 116.67 115.99 3ksy s ASP 620 Ca -0.04 -0.98 -0.26 0.00 0.71 0.00 0.00 52.55 51.98 3ksy s ASP 620 Cb -0.14 -1.70 -0.20 0.00 1.01 0.00 0.00 42.92 41.89 3ksy s ASP 620 CO 0.04 -0.17 1.24 -0.65 0.21 0.00 0.00 175.17 175.84 3ksy h PRO 621 N 8.03 -0.04 -0.49 8.23 0.11 -1.99 -3.07 132.00 142.78 3ksy h PRO 621 Ca -0.29 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.91 3ksy h PRO 621 Cb 1.09 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.14 3ksy h PRO 621 CO 0.56 0.43 0.08 -0.91 -0.21 0.00 0.00 178.00 177.95 3ksy h ASN 622 N -0.53 -0.04 -0.75 -2.05 4.21 -2.00 -2.04 115.58 112.38 3ksy h ASN 622 Ca -0.00 0.09 -0.06 0.00 1.21 0.00 0.00 56.30 57.54 3ksy h ASN 622 Cb 0.49 0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 37.79 3ksy h ASN 622 CO 0.01 0.01 0.25 0.15 -1.29 0.00 0.00 177.43 176.56 3ksy h PHE 623 N 0.21 1.20 -0.53 1.19 3.57 -1.99 -1.43 116.94 119.15 3ksy h PHE 623 Ca 0.24 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 3ksy h PHE 623 Cb 0.33 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 3ksy h PHE 623 CO -0.24 0.93 0.05 0.28 -2.23 0.00 0.00 178.31 177.11 3ksy h VAL 624 N 1.12 1.24 0.76 1.41 2.07 -1.33 0.05 116.25 121.58 3ksy h VAL 624 Ca 0.25 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 3ksy h VAL 624 Cb 0.28 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3ksy h VAL 624 CO -0.01 0.35 -0.37 -0.09 0.02 0.00 0.00 177.57 177.47 3ksy h ARG 625 N 0.81 -0.99 -0.39 1.57 2.43 -1.04 -2.53 114.38 114.25 3ksy h ARG 625 Ca 0.16 0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.48 3ksy h ARG 625 Cb 0.41 0.22 -0.07 0.00 -0.42 0.00 0.00 29.97 30.11 3ksy h ARG 625 CO 0.01 -0.66 -0.10 1.15 -1.51 0.00 0.00 179.97 178.86 3ksy h THR 626 N -1.25 0.60 -0.74 0.20 2.02 -1.23 -2.09 112.91 110.42 3ksy h THR 626 Ca -0.10 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.15 3ksy h THR 626 Cb 0.78 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 3ksy h THR 626 CO 0.17 0.00 0.42 0.15 0.37 0.00 0.00 175.52 176.63 3ksy h PHE 627 N -0.01 0.76 0.00 3.16 3.57 -1.04 -0.66 116.94 122.72 3ksy h PHE 627 Ca 0.19 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.71 3ksy h PHE 627 Cb 0.29 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.80 3ksy h PHE 627 CO -0.35 0.34 0.00 -0.07 -2.23 0.00 0.00 178.31 176.00 3ksy h LEU 628 N 0.74 0.00 0.00 0.59 3.38 -0.93 -2.02 115.31 117.08 3ksy h LEU 628 Ca 0.34 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.02 3ksy h LEU 628 Cb 0.25 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3ksy h LEU 628 CO -0.21 0.00 -1.86 0.41 0.09 0.00 0.00 178.44 176.87 3ksy n THR 629 N -2.48 1.45 -2.46 0.22 -1.04 -0.36 -4.54 114.28 105.06 3ksy n THR 629 Ca 0.02 -0.79 -0.13 0.00 -2.04 0.00 0.00 64.05 61.11 3ksy n THR 629 Cb 0.28 -0.81 0.03 0.00 -1.82 0.00 0.00 70.33 68.00 3ksy n THR 629 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3ksy n THR 630 N -2.92 1.84 0.00 12.58 -2.24 -0.55 -4.46 114.28 118.54 3ksy n THR 630 Ca -0.20 -3.65 0.11 0.00 -2.27 0.00 0.00 64.05 58.03 3ksy n THR 630 Cb 1.04 0.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.12 3ksy n THR 630 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ksy n TYR 631 N -0.57 0.00 1.50 4.78 4.11 -0.78 -4.29 117.16 121.92 3ksy n TYR 631 Ca 0.25 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 58.28 3ksy n TYR 631 Cb 0.85 -0.48 0.74 0.00 -0.00 0.00 0.00 39.34 40.45 3ksy n TYR 631 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 3ksy n ARG 632 N -2.23 0.66 0.13 -3.48 1.74 -1.23 -0.58 116.66 111.67 3ksy n ARG 632 Ca -0.04 0.02 0.04 0.00 -0.77 0.00 0.00 57.85 57.10 3ksy n ARG 632 Cb 0.55 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.52 3ksy n ARG 632 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3ksy h SER 633 N 0.00 0.00 0.00 0.55 4.64 -1.86 -3.38 113.55 113.50 3ksy h SER 633 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ksy h SER 633 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3ksy h SER 633 CO 0.00 0.38 0.00 2.22 -0.87 0.00 0.00 176.83 178.56 3ksy n PHE 634 N -3.09 0.00 -3.79 4.77 1.16 -1.13 -5.01 117.46 110.37 3ksy n PHE 634 Ca -0.00 -0.01 -0.13 0.00 -1.87 0.00 0.00 57.45 55.44 3ksy n PHE 634 Cb 0.70 -0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.47 3ksy n PHE 634 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3ksy s LYS 636 N -0.40 3.57 0.14 0.00 1.02 -1.26 -3.57 119.74 119.24 3ksy s LYS 636 Ca -0.05 -0.21 -0.22 0.00 0.02 0.00 0.00 55.97 55.50 3ksy s LYS 636 Cb -0.03 -2.83 -0.00 0.00 -0.52 0.00 0.00 37.83 34.44 3ksy s LYS 636 CO 0.01 0.42 1.65 -1.35 -0.92 0.00 0.00 175.35 175.17 3ksy h PRO 637 N 2.35 -0.21 -0.78 -1.68 0.11 -1.96 0.11 132.00 129.94 3ksy h PRO 637 Ca -0.47 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.71 3ksy h PRO 637 Cb 1.18 0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 3ksy h PRO 637 CO 0.70 -0.14 0.51 1.96 -0.21 0.00 0.00 178.00 180.83 3ksy h GLN 638 N -0.21 0.86 -0.13 1.05 1.08 -1.99 -2.08 115.11 113.69 3ksy h GLN 638 Ca 0.11 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 3ksy h GLN 638 Cb 0.37 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 27.60 3ksy h GLN 638 CO -0.29 0.57 0.02 1.49 -0.95 0.00 0.00 178.83 179.67 3ksy h GLU 639 N 0.89 0.21 -0.72 1.46 4.57 -1.59 -2.76 114.58 116.64 3ksy h GLU 639 Ca 0.33 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.46 3ksy h GLU 639 Cb 0.16 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.69 3ksy h GLU 639 CO -0.11 0.41 0.47 1.25 -1.18 0.00 0.00 179.01 179.86 3ksy h LEU 640 N -0.02 0.81 -0.75 1.64 5.85 -0.40 -1.75 115.31 120.70 3ksy h LEU 640 Ca 0.04 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3ksy h LEU 640 Cb 0.30 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3ksy h LEU 640 CO 0.00 0.58 0.47 0.25 -0.34 0.00 0.00 178.44 179.40 3ksy h LEU 641 N 0.95 0.88 -1.44 2.25 5.85 -1.38 -0.73 115.31 121.71 3ksy h LEU 641 Ca 0.27 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 3ksy h LEU 641 Cb -0.08 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 3ksy h LEU 641 CO -0.07 0.67 -0.25 0.28 -0.34 0.00 0.00 178.44 178.72 3ksy h SER 642 N 1.02 0.00 0.20 1.25 0.02 -1.14 -2.95 113.55 111.95 3ksy h SER 642 Ca 0.27 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.90 3ksy h SER 642 Cb -0.07 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.49 3ksy h SER 642 CO -0.05 0.25 -1.52 -0.07 -1.14 0.00 0.00 176.83 174.30 3ksy h LEU 643 N 0.00 0.65 -1.77 5.07 3.38 -0.50 -3.10 115.31 119.03 3ksy h LEU 643 Ca -0.00 -0.92 -0.03 0.00 0.09 0.00 0.00 57.88 57.01 3ksy h LEU 643 Cb 0.58 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3ksy h LEU 643 CO 0.03 1.70 -0.16 0.16 0.09 0.00 0.00 178.44 180.27 3ksy h ILE 644 N 0.01 0.72 -0.06 1.22 3.07 -1.16 -0.93 117.51 120.40 3ksy h ILE 644 Ca -0.29 -0.64 -0.01 0.00 1.55 0.00 0.00 64.86 65.46 3ksy h ILE 644 Cb 2.03 1.39 -0.00 0.00 -0.27 0.00 0.00 36.82 39.97 3ksy h ILE 644 CO 0.19 0.15 -0.02 0.40 -1.05 0.00 0.00 178.15 177.82 3ksy h ILE 645 N 0.00 1.32 -1.01 0.16 2.04 -1.58 0.19 117.51 118.63 3ksy h ILE 645 Ca -0.00 -0.99 0.08 0.00 1.00 0.00 0.00 64.86 64.94 3ksy h ILE 645 Cb 0.38 1.87 -0.07 0.00 -0.74 0.00 0.00 36.82 38.26 3ksy h ILE 645 CO 0.02 0.27 0.65 -0.08 0.00 0.00 0.00 178.15 179.01 3ksy h GLU 646 N -0.26 1.11 -0.01 2.37 4.81 -1.35 0.11 114.58 121.37 3ksy h GLU 646 Ca 0.01 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 3ksy h GLU 646 Cb 0.45 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3ksy h GLU 646 CO 0.01 0.73 -0.51 -0.09 -0.73 0.00 0.00 179.01 178.42 3ksy h ARG 647 N 1.14 0.03 0.16 1.92 9.65 -1.06 -3.29 114.38 122.92 3ksy h ARG 647 Ca 0.45 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.30 3ksy h ARG 647 Cb 0.24 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 3ksy h ARG 647 CO -0.19 0.54 -0.08 0.35 2.80 0.00 0.00 179.97 183.39 3ksy h PHE 648 N 0.02 -0.19 -3.47 2.20 3.57 0.12 -3.43 116.94 115.76 3ksy h PHE 648 Ca -0.00 -0.00 -0.61 0.00 3.53 0.00 0.00 57.97 60.88 3ksy h PHE 648 Cb 0.92 0.06 -0.11 0.00 2.79 0.00 0.00 35.95 39.62 3ksy h PHE 648 CO 0.00 0.25 0.38 -1.21 -2.23 0.00 0.00 178.31 175.50 3ksy s GLU 649 N -3.46 3.88 -0.16 1.11 0.41 0.21 -4.81 118.70 115.89 3ksy s GLU 649 Ca -0.13 0.48 0.01 0.00 -0.41 0.00 0.00 54.97 54.92 3ksy s GLU 649 Cb 0.00 -3.76 0.01 0.00 -1.78 0.00 0.00 34.13 28.61 3ksy s GLU 649 CO 0.49 -0.74 -0.19 0.42 -0.49 0.00 0.00 175.26 174.75 3ksy s ILE 650 N 3.00 2.28 0.20 -1.63 1.01 -1.26 -4.79 121.20 120.01 3ksy s ILE 650 Ca 0.32 -0.89 -0.32 0.00 0.00 0.00 0.00 60.65 59.75 3ksy s ILE 650 Cb -0.14 -1.94 -0.13 0.00 0.01 0.00 0.00 42.46 40.26 3ksy s ILE 650 CO 0.14 0.53 1.65 -2.65 0.00 0.00 0.00 174.94 174.61 3ksy n PRO 651 N 4.26 2.54 -2.87 2.79 -0.02 -1.26 -4.97 135.00 135.47 3ksy n PRO 651 Ca -0.20 0.91 -0.39 0.00 -2.02 0.00 0.00 63.50 61.81 3ksy n PRO 651 Cb 0.51 -2.72 -0.06 0.00 -0.02 0.00 0.00 33.50 31.21 3ksy n PRO 651 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3ksy s GLU 652 N 0.86 4.65 0.12 -0.52 2.02 -1.26 -4.95 118.70 119.62 3ksy s GLU 652 Ca 0.75 1.29 -0.35 0.00 0.02 0.00 0.00 54.97 56.68 3ksy s GLU 652 Cb -0.57 -3.14 -0.15 0.00 0.10 0.00 0.00 34.13 30.37 3ksy s GLU 652 CO 0.36 0.48 1.48 -2.30 0.02 0.00 0.00 175.26 175.30 3ksy n PRO 653 N 1.27 1.70 -1.69 0.39 -0.02 -1.26 -4.86 135.00 130.52 3ksy n PRO 653 Ca -0.02 0.61 -0.44 0.00 -2.02 0.00 0.00 63.50 61.63 3ksy n PRO 653 Cb 0.49 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 3ksy n PRO 653 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3ksy n GLU 654 N 3.10 2.47 -1.74 -0.52 -0.58 -1.26 -4.93 120.64 117.18 3ksy n GLU 654 Ca 0.18 0.89 -0.41 0.00 -0.42 0.00 0.00 57.16 57.40 3ksy n GLU 654 Cb 0.24 -2.71 0.01 0.00 -0.57 0.00 0.00 31.44 28.41 3ksy n GLU 654 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3ksy n PRO 655 N 4.00 2.22 -0.84 3.49 -0.02 -1.26 -4.99 135.00 137.60 3ksy n PRO 655 Ca 0.17 0.79 -0.29 0.00 -2.02 0.00 0.00 63.50 62.15 3ksy n PRO 655 Cb 0.32 -2.54 0.23 0.00 -0.02 0.00 0.00 33.50 31.50 3ksy n PRO 655 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3ksy s THR 656 N -1.17 1.79 0.33 3.45 -4.23 -1.26 -4.87 115.64 109.68 3ksy s THR 656 Ca 0.59 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 61.14 3ksy s THR 656 Cb -0.48 -2.30 0.17 0.00 1.34 0.00 0.00 72.50 71.23 3ksy s THR 656 CO 0.59 0.00 1.89 -0.08 -0.54 0.00 0.00 174.62 176.48 3ksy h GLU 657 N -2.53 0.59 0.00 3.99 4.57 -2.02 -2.16 114.58 117.02 3ksy h GLU 657 Ca -0.53 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 57.54 3ksy h GLU 657 Cb 1.33 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 3ksy h GLU 657 CO 0.46 0.57 0.00 0.00 -1.18 0.00 0.00 179.01 178.86 3ksy h ALA 658 N 1.50 1.00 0.00 2.92 0.00 -2.01 -3.02 119.26 119.65 3ksy h ALA 658 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3ksy h ALA 658 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3ksy h ALA 658 CO 0.00 0.00 -0.49 -0.44 0.00 0.00 0.00 179.25 178.32 3ksy h ASP 659 N 0.00 0.00 0.03 0.00 3.32 -1.73 -3.18 116.42 114.86 3ksy h ASP 659 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ksy h ASP 659 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 3ksy h ASP 659 CO 0.00 0.49 -0.01 -0.09 -1.72 0.00 0.00 179.24 177.91 3ksy h ARG 660 N 0.00 -0.04 0.00 3.56 1.12 -1.48 0.88 114.38 118.42 3ksy h ARG 660 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 3ksy h ARG 660 Cb 1.25 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.22 3ksy h ARG 660 CO 0.06 0.48 0.00 0.82 -3.11 0.00 0.00 179.97 178.23 3ksy h ILE 661 N -0.58 0.00 -0.00 1.20 2.04 -1.66 -2.50 117.51 116.01 3ksy h ILE 661 Ca -0.00 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3ksy h ILE 661 Cb 0.54 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 3ksy h ILE 661 CO 0.01 0.00 -0.54 0.00 0.00 0.00 0.00 178.15 177.62 3ksy n ALA 662 N -2.05 3.60 0.34 1.87 0.00 -1.16 -4.40 120.51 118.71 3ksy n ALA 662 Ca -0.01 -0.46 0.15 0.00 0.00 0.00 0.00 53.44 53.11 3ksy n ALA 662 Cb 0.16 -0.54 0.59 0.00 0.00 0.00 0.00 19.45 19.65 3ksy n ALA 662 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3ksy h ILE 663 N 0.73 0.00 -0.01 0.00 2.10 -0.34 -2.81 117.51 117.18 3ksy h ILE 663 Ca 0.00 -0.40 0.00 0.00 1.08 0.00 0.00 64.86 65.54 3ksy h ILE 663 Cb 0.42 1.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.43 3ksy h ILE 663 CO 0.00 0.00 0.00 -0.62 -1.08 0.00 0.00 178.15 176.45 3ksy n GLU 664 N -2.70 1.78 -4.09 2.19 1.02 -1.26 -5.05 120.64 112.54 3ksy n GLU 664 Ca 0.01 -2.29 -0.11 0.00 -0.02 0.00 0.00 57.16 54.76 3ksy n GLU 664 Cb 0.28 -1.37 -0.07 0.00 -0.02 0.00 0.00 31.44 30.26 3ksy n GLU 664 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3ksy s ASN 665 N -2.34 0.22 1.18 1.62 2.47 -1.06 -5.17 114.94 111.86 3ksy s ASN 665 Ca 0.23 -1.21 -0.15 0.00 0.42 0.00 0.00 52.86 52.16 3ksy s ASN 665 Cb 0.20 0.53 0.28 0.00 -1.45 0.00 0.00 41.25 40.81 3ksy s ASN 665 CO 0.02 -1.06 1.03 -0.83 -3.72 0.00 0.00 177.10 172.54 3ksy s GLY 666 N -3.11 1.52 -1.45 1.21 0.00 -1.26 -3.85 107.32 100.38 3ksy s GLY 666 Ca 0.30 -0.37 -0.08 0.00 0.00 0.00 0.00 44.72 44.58 3ksy s GLY 666 CO 0.13 0.40 0.93 1.34 0.00 0.00 0.00 173.10 175.90 3ksy n ASP 667 N -4.89 -6.07 -4.75 1.64 2.03 -1.26 -4.90 116.55 98.34 3ksy n ASP 667 Ca 0.05 -0.46 -0.40 0.00 0.52 0.00 0.00 54.79 54.50 3ksy n ASP 667 Cb 0.56 -4.83 -0.06 0.00 -0.72 0.00 0.00 41.12 36.07 3ksy n ASP 667 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 3ksy s GLN 668 N -6.11 4.80 0.34 -0.67 0.74 -1.25 -4.95 119.66 112.55 3ksy s GLN 668 Ca 0.49 1.43 0.09 0.00 0.05 0.00 0.00 55.36 57.42 3ksy s GLN 668 Cb -0.22 -3.29 0.84 0.00 1.10 0.00 0.00 33.01 31.44 3ksy s GLN 668 CO 0.60 0.50 1.80 -1.35 -0.55 0.00 0.00 175.29 176.29 3ksy h PRO 669 N 4.31 0.65 -0.01 1.67 0.11 -1.90 -3.45 132.00 133.38 3ksy h PRO 669 Ca -0.45 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3ksy h PRO 669 Cb 1.20 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3ksy h PRO 669 CO 0.68 0.43 -0.00 1.28 -0.21 0.00 0.00 178.00 180.18 3ksy n LEU 670 N -4.69 0.88 -4.10 2.35 4.32 -1.26 -2.96 117.00 111.54 3ksy n LEU 670 Ca 0.22 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.88 3ksy n LEU 670 Cb 0.62 -2.30 -0.01 0.00 -1.62 0.00 0.00 43.42 40.11 3ksy n LEU 670 CO 0.24 -0.90 0.01 -1.20 -1.22 0.00 0.00 177.39 174.32 3ksy n SER 671 N -0.90 -3.70 -0.18 -1.43 7.64 -1.26 -4.86 113.62 108.92 3ksy n SER 671 Ca -0.00 -0.93 -0.08 0.00 1.01 0.00 0.00 58.87 58.87 3ksy n SER 671 Cb 0.45 -3.18 0.01 0.00 -1.01 0.00 0.00 64.21 60.48 3ksy n SER 671 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ksy h ALA 672 N 0.93 0.67 -0.44 -0.43 0.00 -1.93 -2.02 119.26 116.04 3ksy h ALA 672 Ca -0.59 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.14 3ksy h ALA 672 Cb 1.38 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3ksy h ALA 672 CO 0.74 0.32 0.26 1.49 0.00 0.00 0.00 179.25 182.05 3ksy h GLU 673 N 0.70 0.59 -0.10 0.00 4.81 -1.89 -2.24 114.58 116.45 3ksy h GLU 673 Ca 0.17 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.16 3ksy h GLU 673 Cb 0.26 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 3ksy h GLU 673 CO -0.01 0.42 -0.71 -0.07 -0.73 0.00 0.00 179.01 177.91 3ksy h LEU 674 N 0.60 0.54 -1.40 1.64 3.38 -1.85 -3.19 115.31 115.04 3ksy h LEU 674 Ca 0.16 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3ksy h LEU 674 Cb -0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3ksy h LEU 674 CO -0.03 1.09 0.03 0.11 0.09 0.00 0.00 178.44 179.73 3ksy h LYS 675 N 0.32 0.42 0.00 1.13 1.57 -0.76 0.23 116.57 119.48 3ksy h LYS 675 Ca -0.03 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3ksy h LYS 675 Cb 1.29 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3ksy h LYS 675 CO 0.13 0.43 0.00 0.00 -0.57 0.00 0.00 179.45 179.44 3ksy h ARG 676 N 0.42 0.00 0.00 3.15 3.08 -1.49 -0.50 114.38 119.04 3ksy h ARG 676 Ca 0.10 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.96 3ksy h ARG 676 Cb 0.23 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 3ksy h ARG 676 CO 0.00 0.00 -1.64 0.34 -1.07 0.00 0.00 179.97 177.60 3ksy n PHE 677 N -2.69 0.00 -0.03 3.04 7.35 -0.75 -4.39 117.46 119.99 3ksy n PHE 677 Ca -0.02 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.59 3ksy n PHE 677 Cb 0.07 -0.42 -0.02 0.00 0.35 0.00 0.00 39.48 39.45 3ksy n PHE 677 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ksy h ARG 678 N -0.26 -0.09 -0.29 -4.13 3.08 -0.45 0.20 114.38 112.44 3ksy h ARG 678 Ca -0.28 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 3ksy h ARG 678 Cb 1.31 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.36 3ksy h ARG 678 CO -0.12 -0.06 0.00 -0.22 -1.07 0.00 0.00 179.97 178.49 3ksy h LYS 679 N -0.10 0.44 -0.00 0.04 3.64 -1.31 0.61 116.57 119.89 3ksy h LYS 679 Ca 0.11 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3ksy h LYS 679 Cb 0.25 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3ksy h LYS 679 CO -0.25 0.47 -0.31 -1.91 -2.27 0.00 0.00 179.45 175.18 3ksy n GLU 680 N -4.31 0.20 -0.08 1.90 4.07 -0.85 -3.31 120.64 118.27 3ksy n GLU 680 Ca 0.01 -0.10 -0.17 0.00 -0.06 0.00 0.00 57.16 56.84 3ksy n GLU 680 Cb 0.22 -1.50 -0.06 0.00 -0.06 0.00 0.00 31.44 30.05 3ksy n GLU 680 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05 3ksy n TYR 681 N -1.32 0.00 -0.10 4.31 4.19 0.66 -4.47 117.16 120.43 3ksy n TYR 681 Ca 0.08 0.00 -0.05 0.00 3.31 0.00 0.00 57.90 61.23 3ksy n TYR 681 Cb 0.33 -0.59 0.01 0.00 0.49 0.00 0.00 39.34 39.58 3ksy n TYR 681 CO 0.00 0.00 0.00 0.82 0.91 0.00 0.00 176.86 178.59 3ksy h ILE 682 N -0.62 0.69 0.14 2.97 2.04 0.03 -1.99 117.51 120.77 3ksy h ILE 682 Ca -0.40 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.45 3ksy h ILE 682 Cb 1.31 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 3ksy h ILE 682 CO -0.24 0.01 -0.39 -0.61 0.00 0.00 0.00 178.15 176.91 3ksy h GLN 683 N 0.05 -0.57 -0.40 2.37 5.75 -1.72 0.34 115.11 120.92 3ksy h GLN 683 Ca 0.17 0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.74 3ksy h GLN 683 Cb 0.25 0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.90 3ksy h GLN 683 CO -0.33 -0.38 0.20 -1.35 -2.65 0.00 0.00 178.83 174.32 3ksy h PRO 684 N -0.59 0.39 0.27 -2.39 0.11 -1.76 0.37 132.00 128.40 3ksy h PRO 684 Ca -0.01 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 3ksy h PRO 684 Cb 0.58 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.60 3ksy h PRO 684 CO -0.19 0.26 -0.13 0.28 -0.21 0.00 0.00 178.00 178.01 3ksy h VAL 685 N 0.40 0.76 0.00 3.15 2.07 -1.17 -2.36 116.25 119.11 3ksy h VAL 685 Ca 0.17 -0.19 -0.12 0.00 0.82 0.00 0.00 66.70 67.38 3ksy h VAL 685 Cb 0.08 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3ksy h VAL 685 CO -0.12 0.04 -0.57 1.56 0.02 0.00 0.00 177.57 178.50 3ksy h GLN 686 N -0.47 0.00 -0.53 1.57 4.20 -0.21 -2.46 115.11 117.21 3ksy h GLN 686 Ca -0.04 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 3ksy h GLN 686 Cb 0.35 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 3ksy h GLN 686 CO 0.06 0.57 0.10 1.25 -0.67 0.00 0.00 178.83 180.14 3ksy h LEU 687 N 0.00 0.83 -0.71 1.46 7.12 -0.20 -1.88 115.31 121.93 3ksy h LEU 687 Ca -0.01 -0.25 -0.14 0.00 0.13 0.00 0.00 57.88 57.62 3ksy h LEU 687 Cb 1.11 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 41.00 3ksy h LEU 687 CO 0.07 0.87 -0.62 0.03 -0.13 0.00 0.00 178.44 178.66 3ksy h ARG 688 N 0.76 0.10 -0.44 1.25 3.08 -1.35 -0.31 114.38 117.47 3ksy h ARG 688 Ca 0.16 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 3ksy h ARG 688 Cb 0.38 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3ksy h ARG 688 CO 0.01 0.69 0.08 0.28 -1.07 0.00 0.00 179.97 179.95 3ksy h VAL 689 N 0.07 1.20 0.00 2.04 2.07 -1.18 0.99 116.25 121.46 3ksy h VAL 689 Ca -0.01 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 3ksy h VAL 689 Cb 1.11 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3ksy h VAL 689 CO 0.09 0.27 -0.19 -0.07 0.02 0.00 0.00 177.57 177.69 3ksy h LEU 690 N 0.65 0.00 0.22 2.57 3.38 -1.09 -2.78 115.31 118.26 3ksy h LEU 690 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3ksy h LEU 690 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3ksy h LEU 690 CO 0.00 0.10 -0.11 -1.13 0.09 0.00 0.00 178.44 177.40 3ksy h ASN 691 N 0.00 -0.25 0.14 -0.43 -1.24 0.10 0.11 115.58 114.01 3ksy h ASN 691 Ca -0.00 -0.25 -0.01 0.00 0.71 0.00 0.00 56.30 56.75 3ksy h ASN 691 Cb 1.08 0.06 -0.00 0.00 0.73 0.00 0.00 38.32 40.19 3ksy h ASN 691 CO 0.01 0.27 -0.05 -0.37 -1.29 0.00 0.00 177.43 176.01 3ksy h VAL 692 N -0.93 0.54 0.00 2.57 -1.51 -0.98 0.95 116.25 116.90 3ksy h VAL 692 Ca -0.03 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 3ksy h VAL 692 Cb 0.48 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.78 3ksy h VAL 692 CO 0.05 0.05 -0.13 0.00 -1.23 0.00 0.00 177.57 176.30 3ksy h ARG 694 N 0.00 0.03 -0.57 0.00 2.43 0.12 -2.97 114.38 113.43 3ksy h ARG 694 Ca 0.00 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3ksy h ARG 694 Cb 0.94 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 3ksy h ARG 694 CO 0.00 1.03 0.32 0.45 -1.51 0.00 0.00 179.97 180.26 3ksy h HIS 695 N -0.93 0.76 0.45 2.20 3.86 -1.30 -2.75 115.15 117.43 3ksy h HIS 695 Ca -0.02 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 3ksy h HIS 695 Cb 1.08 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 29.28 3ksy h HIS 695 CO 0.27 0.52 -0.36 2.35 0.86 0.00 0.00 177.93 181.57 3ksy h TRP 696 N 0.79 -0.97 0.00 2.45 2.91 -1.32 0.95 115.95 120.76 3ksy h TRP 696 Ca 0.20 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.23 3ksy h TRP 696 Cb 0.00 0.37 0.00 0.00 -0.51 0.00 0.00 29.16 29.02 3ksy h TRP 696 CO 0.00 -0.52 0.00 1.33 -1.03 0.00 0.00 178.44 178.22 3ksy n VAL 697 N -5.48 0.00 -0.07 2.65 0.24 -1.12 -1.39 118.33 113.16 3ksy n VAL 697 Ca -0.11 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.08 3ksy n VAL 697 Cb 0.38 -0.65 -0.06 0.00 -1.47 0.00 0.00 33.84 32.03 3ksy n VAL 697 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3ksy n GLU 698 N -0.99 0.36 -0.25 7.34 2.13 -0.92 -4.44 120.64 123.88 3ksy n GLU 698 Ca 0.16 0.09 0.07 0.00 0.66 0.00 0.00 57.16 58.14 3ksy n GLU 698 Cb 0.07 -1.25 0.19 0.00 0.27 0.00 0.00 31.44 30.72 3ksy n GLU 698 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3ksy n HIS 699 N -3.06 0.61 -1.61 4.31 8.25 0.28 -4.44 115.22 119.56 3ksy n HIS 699 Ca -0.27 -0.56 0.00 0.00 -0.26 0.00 0.00 57.72 56.63 3ksy n HIS 699 Cb 0.76 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.79 3ksy n HIS 699 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3ksy n HIS 700 N 0.44 0.00 0.28 4.41 8.25 -0.48 -4.87 115.22 123.25 3ksy n HIS 700 Ca 0.14 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.69 3ksy n HIS 700 Cb 0.53 -0.02 0.48 0.00 1.12 0.00 0.00 29.99 32.10 3ksy n HIS 700 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3ksy h PHE 701 N 0.00 0.00 -0.07 4.41 3.57 -1.78 0.70 116.94 123.77 3ksy h PHE 701 Ca 0.00 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.34 3ksy h PHE 701 Cb 1.22 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 3ksy h PHE 701 CO 0.05 0.00 -0.66 0.10 -2.23 0.00 0.00 178.31 175.57 3ksy h TYR 702 N 0.00 0.40 -0.04 0.41 -0.00 -1.92 -1.91 116.97 113.91 3ksy h TYR 702 Ca 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 58.73 58.59 3ksy h TYR 702 Cb 0.97 -0.07 -0.02 0.00 0.00 0.00 0.00 36.73 37.61 3ksy h TYR 702 CO 0.00 0.87 -0.08 -0.44 -0.00 0.00 0.00 178.16 178.51 3ksy h ASP 703 N 0.22 -0.24 0.89 0.10 3.32 0.04 0.20 116.42 120.95 3ksy h ASP 703 Ca -0.01 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3ksy h ASP 703 Cb 1.20 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3ksy h ASP 703 CO 0.11 -0.12 0.00 0.49 -1.72 0.00 0.00 179.24 178.00 3ksy n PHE 704 N -5.21 0.77 0.03 4.55 3.01 -1.21 -1.94 117.46 117.48 3ksy n PHE 704 Ca -0.05 0.28 -0.08 0.00 1.01 0.00 0.00 57.45 58.61 3ksy n PHE 704 Cb 0.13 -0.96 -0.13 0.00 -0.01 0.00 0.00 39.48 38.52 3ksy n PHE 704 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3ksy h GLU 705 N 0.00 0.01 0.06 -1.08 4.81 -0.44 -3.36 114.58 114.58 3ksy h GLU 705 Ca 0.00 -0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 59.00 3ksy h GLU 705 Cb 0.45 0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.85 3ksy h GLU 705 CO 0.00 0.84 -0.87 0.00 -0.73 0.00 0.00 179.01 178.25 3ksy h ARG 706 N 0.00 0.49 -4.66 1.92 3.08 -0.03 -3.41 114.38 111.77 3ksy h ARG 706 Ca -0.11 -0.60 -0.69 0.00 0.07 0.00 0.00 59.98 58.65 3ksy h ARG 706 Cb 1.86 0.19 -0.31 0.00 0.08 0.00 0.00 29.97 31.79 3ksy h ARG 706 CO 0.12 1.23 -0.62 0.34 -1.07 0.00 0.00 179.97 179.97 3ksy s ASP 707 N -7.04 5.18 0.46 7.04 2.15 -0.82 -4.96 116.67 118.68 3ksy s ASP 707 Ca -0.12 -1.38 0.14 0.00 0.43 0.00 0.00 52.55 51.63 3ksy s ASP 707 Cb 0.04 -1.81 1.07 0.00 -0.30 0.00 0.00 42.92 41.91 3ksy s ASP 707 CO 0.87 -0.36 2.04 0.00 -0.17 0.00 0.00 175.17 177.55 3ksy h ALA 708 N 8.12 1.79 -0.01 3.66 0.00 -1.81 -2.20 119.26 128.81 3ksy h ALA 708 Ca -0.21 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 3ksy h ALA 708 Cb 1.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3ksy h ALA 708 CO 0.61 0.16 -0.71 -0.92 0.00 0.00 0.00 179.25 178.39 3ksy h TYR 709 N 0.05 0.07 0.11 0.00 3.20 -1.93 -2.96 116.97 115.52 3ksy h TYR 709 Ca 0.01 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 3ksy h TYR 709 Cb 0.19 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.45 3ksy h TYR 709 CO 0.00 0.74 -0.06 1.25 -1.64 0.00 0.00 178.16 178.45 3ksy h LEU 710 N 0.03 -0.13 -1.04 2.82 5.85 -1.73 -2.44 115.31 118.68 3ksy h LEU 710 Ca -0.01 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3ksy h LEU 710 Cb 1.25 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 3ksy h LEU 710 CO 0.10 -0.02 0.50 0.25 -0.34 0.00 0.00 178.44 178.93 3ksy h LEU 711 N -0.24 1.03 -0.68 2.25 5.85 -1.58 -2.30 115.31 119.64 3ksy h LEU 711 Ca -0.02 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.71 3ksy h LEU 711 Cb 0.19 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 3ksy h LEU 711 CO 0.03 0.80 0.35 -0.61 -0.34 0.00 0.00 178.44 178.66 3ksy h GLN 712 N 1.18 0.60 -0.68 1.25 4.15 -1.33 -0.57 115.11 119.71 3ksy h GLN 712 Ca 0.31 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.67 3ksy h GLN 712 Cb -0.03 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.49 3ksy h GLN 712 CO -0.06 0.40 0.34 0.00 -1.93 0.00 0.00 178.83 177.58 3ksy h ARG 713 N 0.62 0.96 -0.17 1.69 3.08 -0.94 -2.61 114.38 117.01 3ksy h ARG 713 Ca 0.32 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 3ksy h ARG 713 Cb 0.28 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3ksy h ARG 713 CO -0.23 0.73 0.04 1.98 -1.07 0.00 0.00 179.97 181.42 3ksy h MET 714 N 0.96 0.28 0.00 0.04 4.05 -0.75 0.18 114.93 119.69 3ksy h MET 714 Ca 0.24 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.55 3ksy h MET 714 Cb 0.08 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 3ksy h MET 714 CO -0.03 0.42 -0.17 0.93 0.23 0.00 0.00 176.91 178.29 3ksy h GLU 715 N 0.09 0.00 0.00 0.39 5.08 -1.21 -2.54 114.58 116.39 3ksy h GLU 715 Ca 0.05 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.15 3ksy h GLU 715 Cb 0.27 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 3ksy h GLU 715 CO 0.00 0.17 -1.56 0.93 -1.00 0.00 0.00 179.01 177.55 3ksy h GLU 716 N 0.00 0.00 -0.26 2.33 5.08 -1.24 -3.19 114.58 117.30 3ksy h GLU 716 Ca -0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 3ksy h GLU 716 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3ksy h GLU 716 CO 0.02 0.54 -0.37 0.35 -1.00 0.00 0.00 179.01 178.55 3ksy h PHE 717 N 0.00 0.69 -0.18 4.33 3.57 -0.80 -2.99 116.94 121.56 3ksy h PHE 717 Ca -0.23 -0.19 -0.11 0.00 3.53 0.00 0.00 57.97 60.96 3ksy h PHE 717 Cb 1.93 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.50 3ksy h PHE 717 CO 0.00 0.88 -0.37 0.82 -2.23 0.00 0.00 178.31 177.40 3ksy h ILE 718 N 0.49 1.30 0.00 1.41 1.08 -1.57 -2.88 117.51 117.34 3ksy h ILE 718 Ca 0.05 -1.48 -0.02 0.00 -0.39 0.00 0.00 64.86 63.02 3ksy h ILE 718 Cb 0.87 1.57 -0.00 0.00 -3.07 0.00 0.00 36.82 36.18 3ksy h ILE 718 CO 0.07 0.46 -0.11 1.23 -0.69 0.00 0.00 178.15 179.11 3ksy h GLY 719 N 1.12 0.00 1.56 5.37 0.00 -1.51 -2.09 103.07 107.52 3ksy h GLY 719 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.27 3ksy h GLY 719 CO 0.07 0.00 -0.77 -0.91 0.00 0.00 0.00 176.54 174.93 3ksy h THR 720 N 0.00 0.50 -2.74 4.70 1.35 -1.48 -3.44 112.91 111.81 3ksy h THR 720 Ca -0.00 -1.80 -0.56 0.00 -0.55 0.00 0.00 66.41 63.50 3ksy h THR 720 Cb 0.25 2.11 -0.02 0.00 -1.73 0.00 0.00 68.15 68.76 3ksy h THR 720 CO 0.01 0.29 1.12 -0.69 -0.25 0.00 0.00 175.52 176.00 3ksy s VAL 721 N -3.05 3.69 0.13 6.82 1.01 -0.79 -4.99 120.40 123.23 3ksy s VAL 721 Ca 0.02 0.79 0.06 0.00 0.00 0.00 0.00 61.98 62.84 3ksy s VAL 721 Cb 0.08 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3ksy s VAL 721 CO 0.76 -0.25 -0.13 -0.13 0.00 0.00 0.00 175.10 175.35 3ksy s ARG 722 N 4.56 1.05 0.00 2.72 0.52 -1.26 -4.94 118.95 121.60 3ksy s ARG 722 Ca 0.71 -1.31 0.00 0.00 -0.52 0.00 0.00 55.73 54.61 3ksy s ARG 722 Cb -0.26 -0.84 0.00 0.00 0.52 0.00 0.00 34.95 34.37 3ksy s ARG 722 CO 0.29 0.15 0.00 0.41 0.02 0.00 0.00 175.30 176.16 3ksy n GLY 723 N 0.29 0.49 0.18 -3.53 0.00 -1.26 -4.87 105.19 96.49 3ksy n GLY 723 Ca -0.14 -1.25 -0.07 0.00 0.00 0.00 0.00 46.02 44.57 3ksy n GLY 723 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ksy h LYS 724 N 0.00 -0.42 0.00 1.61 1.57 -2.03 -3.33 116.57 113.96 3ksy h LYS 724 Ca 0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3ksy h LYS 724 Cb 0.00 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3ksy h LYS 724 CO 0.00 -0.28 -0.39 0.00 -0.57 0.00 0.00 179.45 178.21 3ksy n ALA 725 N -2.39 3.10 0.28 3.86 0.00 -1.26 -3.91 120.51 120.18 3ksy n ALA 725 Ca -0.05 -0.26 0.12 0.00 0.00 0.00 0.00 53.44 53.25 3ksy n ALA 725 Cb 0.17 -1.23 0.80 0.00 0.00 0.00 0.00 19.45 19.20 3ksy n ALA 725 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3ksy h MET 726 N 0.00 0.00 -0.82 0.00 2.86 -1.90 -2.41 114.93 112.66 3ksy h MET 726 Ca 0.00 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3ksy h MET 726 Cb 0.55 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.16 3ksy h MET 726 CO 0.00 0.03 0.52 0.87 1.06 0.00 0.00 176.91 179.39 3ksy h LYS 727 N 0.00 0.96 -0.04 1.72 1.57 -1.69 -0.52 116.57 118.57 3ksy h LYS 727 Ca -0.00 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3ksy h LYS 727 Cb 0.07 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3ksy h LYS 727 CO 0.00 0.64 -0.06 0.87 -0.57 0.00 0.00 179.45 180.33 3ksy h LYS 728 N 0.99 -0.09 0.00 3.15 1.57 -1.72 0.14 116.57 120.62 3ksy h LYS 728 Ca 0.34 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 59.00 3ksy h LYS 728 Cb 0.07 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3ksy h LYS 728 CO -0.14 -0.06 -0.58 -1.49 -0.57 0.00 0.00 179.45 176.62 3ksy h TRP 729 N -0.09 0.00 -0.05 -1.35 6.55 -1.63 -1.33 115.95 118.05 3ksy h TRP 729 Ca 0.04 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.88 3ksy h TRP 729 Cb 0.15 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.45 3ksy h TRP 729 CO -0.15 0.58 0.01 0.28 -1.05 0.00 0.00 178.44 178.10 3ksy h VAL 730 N 0.00 1.21 0.00 1.49 2.07 -0.71 -1.58 116.25 118.73 3ksy h VAL 730 Ca -0.01 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 3ksy h VAL 730 Cb 1.03 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.35 3ksy h VAL 730 CO 0.08 0.17 -0.09 -0.33 0.02 0.00 0.00 177.57 177.42 3ksy h GLU 731 N -0.17 0.00 0.25 1.57 4.39 -0.61 -1.31 114.58 118.71 3ksy h GLU 731 Ca 0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 3ksy h GLU 731 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 3ksy h GLU 731 CO 0.00 0.09 -0.12 1.03 -1.16 0.00 0.00 179.01 178.85 3ksy h SER 732 N 0.00 -0.29 0.03 1.42 0.87 -0.86 -0.69 113.55 114.04 3ksy h SER 732 Ca -0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 3ksy h SER 732 Cb 0.20 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 3ksy h SER 732 CO 0.01 0.04 -0.03 0.40 -0.53 0.00 0.00 176.83 176.72 3ksy h ILE 733 N -0.63 0.92 -0.85 2.23 1.08 -0.96 -2.53 117.51 116.77 3ksy h ILE 733 Ca -0.03 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.45 3ksy h ILE 733 Cb 0.45 0.92 -0.04 0.00 -3.07 0.00 0.00 36.82 35.08 3ksy h ILE 733 CO 0.06 0.00 0.56 0.74 -0.69 0.00 0.00 178.15 178.82 3ksy h THR 734 N -0.07 1.20 -0.68 -0.27 2.02 -1.29 -1.26 112.91 112.57 3ksy h THR 734 Ca 0.00 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.80 3ksy h THR 734 Cb 0.07 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.42 3ksy h THR 734 CO -0.01 0.21 0.43 0.50 0.37 0.00 0.00 175.52 177.01 3ksy h LYS 735 N 1.13 0.91 -0.37 6.66 3.64 -0.98 -1.23 116.57 126.33 3ksy h LYS 735 Ca 0.32 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.57 3ksy h LYS 735 Cb -0.11 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.50 3ksy h LYS 735 CO -0.08 0.63 0.01 0.82 -2.27 0.00 0.00 179.45 178.56 3ksy h ILE 736 N 0.93 1.26 -0.72 2.00 5.03 -1.01 -0.50 117.51 124.48 3ksy h ILE 736 Ca 0.25 -0.97 0.02 0.00 -0.12 0.00 0.00 64.86 64.04 3ksy h ILE 736 Cb -0.07 1.15 -0.04 0.00 -3.03 0.00 0.00 36.82 34.84 3ksy h ILE 736 CO -0.05 0.33 0.46 0.40 -0.68 0.00 0.00 178.15 178.61 3ksy h ILE 737 N 0.47 1.13 -0.32 -0.67 2.04 -0.92 -0.54 117.51 118.70 3ksy h ILE 737 Ca 0.11 -0.32 -0.13 0.00 1.00 0.00 0.00 64.86 65.53 3ksy h ILE 737 Cb 0.45 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3ksy h ILE 737 CO 0.02 0.17 -0.31 1.56 0.00 0.00 0.00 178.15 179.58 3ksy h GLN 738 N 0.92 0.69 -0.38 2.37 4.20 -1.14 -2.10 115.11 119.66 3ksy h GLN 738 Ca 0.28 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3ksy h GLN 738 Cb -0.03 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 3ksy h GLN 738 CO -0.09 0.91 0.18 -0.09 -0.67 0.00 0.00 178.83 179.07 3ksy h ARG 739 N 0.59 0.52 0.05 1.46 2.43 -0.26 -2.02 114.38 117.15 3ksy h ARG 739 Ca 0.07 -0.05 -0.25 0.00 -0.81 0.00 0.00 59.98 58.93 3ksy h ARG 739 Cb 0.82 -0.11 0.02 0.00 -0.42 0.00 0.00 29.97 30.29 3ksy h ARG 739 CO 0.07 0.41 -1.01 0.87 -1.51 0.00 0.00 179.97 178.80 3ksy h LYS 740 N 0.53 0.60 -0.53 0.20 1.79 -0.85 -2.80 116.57 115.52 3ksy h LYS 740 Ca 0.14 -0.71 0.02 0.00 -2.18 0.00 0.00 60.65 57.92 3ksy h LYS 740 Cb 0.06 0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 3ksy h LYS 740 CO -0.02 1.30 0.32 0.87 -1.08 0.00 0.00 179.45 180.84 3ksy h LYS 741 N 0.22 0.62 0.00 3.15 1.57 -1.12 -0.16 116.57 120.85 3ksy h LYS 741 Ca -0.14 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 3ksy h LYS 741 Cb 1.69 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.86 3ksy h LYS 741 CO 0.20 0.41 0.00 -0.84 -0.57 0.00 0.00 179.45 178.65 3ksy h ILE 742 N 0.64 0.00 0.07 1.86 3.07 -1.45 -2.19 117.51 119.51 3ksy h ILE 742 Ca 0.21 -0.47 -0.27 0.00 1.55 0.00 0.00 64.86 65.88 3ksy h ILE 742 Cb 0.01 1.46 0.02 0.00 -0.27 0.00 0.00 36.82 38.05 3ksy h ILE 742 CO -0.09 0.00 -1.09 0.00 -1.05 0.00 0.00 178.15 175.92 3ksy h ALA 743 N 2.01 0.04 -0.29 0.16 0.00 -0.89 -3.25 119.26 117.04 3ksy h ALA 743 Ca 0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 54.91 54.12 3ksy h ALA 743 Cb 0.47 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3ksy h ALA 743 CO 0.00 0.64 -0.11 -0.09 0.00 0.00 0.00 179.25 179.69 3ksy h ARG 744 N 0.25 0.48 -5.69 0.00 2.43 -0.71 -3.40 114.38 107.73 3ksy h ARG 744 Ca -0.16 -0.13 -0.60 0.00 -0.81 0.00 0.00 59.98 58.28 3ksy h ARG 744 Cb 1.77 -0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 31.16 3ksy h ARG 744 CO 0.21 0.59 0.36 -0.51 -1.51 0.00 0.00 179.97 179.11 3ksy s ASP 745 N -6.78 6.72 0.86 -3.80 1.01 -0.86 -5.12 116.67 108.71 3ksy s ASP 745 Ca -0.07 0.87 0.00 0.00 0.71 0.00 0.00 52.55 54.06 3ksy s ASP 745 Cb 0.15 -2.40 0.00 0.00 1.01 0.00 0.00 42.92 41.68 3ksy s ASP 745 CO 0.77 -0.48 0.00 -3.20 0.21 0.00 0.00 175.17 172.47 3ksy n ASN 746 N 5.94 -2.38 0.00 0.27 5.15 -1.26 -4.84 115.26 118.13 3ksy n ASN 746 Ca 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.01 3ksy n ASN 746 Cb 0.48 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 3ksy n ASN 746 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 3ksy n HIS 750 N 0.00 0.00 -3.71 1.20 -0.00 -1.26 -4.90 115.22 106.55 3ksy n HIS 750 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.49 3ksy n HIS 750 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.03 3ksy n HIS 750 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3ksy n ASN 751 N 0.00 -2.70 -4.72 0.26 3.02 -1.26 -4.95 115.26 104.91 3ksy n ASN 751 Ca 0.00 -0.76 -0.32 0.00 -0.03 0.00 0.00 54.58 53.47 3ksy n ASN 751 Cb 0.00 -4.25 0.11 0.00 -0.61 0.00 0.00 39.78 35.03 3ksy n ASN 751 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3ksy s ILE 752 N -3.50 2.58 0.15 2.41 -5.25 -1.26 -5.04 121.20 111.29 3ksy s ILE 752 Ca 0.23 0.23 0.07 0.00 -0.99 0.00 0.00 60.65 60.18 3ksy s ILE 752 Cb -0.11 -2.58 -0.04 0.00 2.95 0.00 0.00 42.46 42.68 3ksy s ILE 752 CO 0.80 -0.21 -0.04 0.28 -1.79 0.00 0.00 174.94 173.98 3ksy s THR 753 N -2.48 3.60 0.46 8.37 -1.32 -1.26 -5.14 115.64 117.87 3ksy s THR 753 Ca 0.68 -1.36 0.00 0.00 -1.21 0.00 0.00 61.69 59.79 3ksy s THR 753 Cb -0.23 -2.76 -0.00 0.00 -1.51 0.00 0.00 72.50 68.00 3ksy s THR 753 CO 0.52 -0.03 0.00 2.22 -2.21 0.00 0.00 174.62 175.12 3ksy n PHE 754 N 0.19 1.07 -2.96 9.09 1.16 -1.26 -5.13 117.46 119.62 3ksy n PHE 754 Ca -0.11 -2.29 -0.40 0.00 -1.87 0.00 0.00 57.45 52.79 3ksy n PHE 754 Cb 0.54 -0.30 -0.05 0.00 -1.61 0.00 0.00 39.48 38.05 3ksy n PHE 754 CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 3ksy s GLN 755 N -3.67 4.54 0.87 3.97 2.00 -1.26 -5.04 119.66 121.07 3ksy s GLN 755 Ca 0.00 1.14 -0.13 0.00 -2.00 0.00 0.00 55.36 54.37 3ksy s GLN 755 Cb 0.00 -3.32 0.08 0.00 0.80 0.00 0.00 33.01 30.56 3ksy s GLN 755 CO 0.00 0.40 0.91 0.43 -0.50 0.00 0.00 175.29 176.53 3ksy n SER 756 N 2.29 -0.22 -4.25 6.67 7.64 -1.26 -4.63 113.62 119.86 3ksy n SER 756 Ca -0.03 0.48 -0.30 0.00 1.01 0.00 0.00 58.87 60.02 3ksy n SER 756 Cb 0.49 -1.39 -0.16 0.00 -1.01 0.00 0.00 64.21 62.14 3ksy n SER 756 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3ksy s SER 757 N -2.16 2.80 0.05 6.43 0.01 -1.26 -5.16 113.70 114.41 3ksy s SER 757 Ca 0.66 -0.45 -0.31 0.00 1.31 0.00 0.00 55.95 57.17 3ksy s SER 757 Cb -0.26 -0.61 -0.06 0.00 0.21 0.00 0.00 66.02 65.30 3ksy s SER 757 CO 0.58 0.25 1.31 -2.84 0.41 0.00 0.00 173.24 172.94 3ksy s PRO 758 N -0.27 4.35 0.27 12.44 0.02 -1.26 -4.99 135.00 145.56 3ksy s PRO 758 Ca 0.01 1.90 -0.31 0.00 0.02 0.00 0.00 61.00 62.62 3ksy s PRO 758 Cb -0.12 -3.41 -0.12 0.00 0.02 0.00 0.00 34.50 30.87 3ksy s PRO 758 CO 0.02 -0.42 1.59 -2.30 -0.33 0.00 0.00 177.00 175.56 3ksy n PRO 759 N 4.50 2.62 -1.71 5.54 -0.02 -1.26 -4.92 135.00 139.74 3ksy n PRO 759 Ca 0.11 0.93 -0.43 0.00 -2.02 0.00 0.00 63.50 62.09 3ksy n PRO 759 Cb 0.44 -2.71 -0.03 0.00 -0.02 0.00 0.00 33.50 31.18 3ksy n PRO 759 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3ksy n THR 760 N 2.45 0.02 -1.80 3.45 5.66 -1.26 -4.66 114.28 118.13 3ksy n THR 760 Ca 0.10 -0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.71 3ksy n THR 760 Cb 0.35 -1.89 0.04 0.00 -1.55 0.00 0.00 70.33 67.28 3ksy n THR 760 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3ksy s VAL 761 N 1.10 2.11 -0.25 1.08 -7.23 -1.26 -4.90 120.40 111.05 3ksy s VAL 761 Ca 0.76 0.09 -0.12 0.00 -1.81 0.00 0.00 61.98 60.89 3ksy s VAL 761 Cb -0.54 -3.05 -0.05 0.00 0.56 0.00 0.00 36.38 33.31 3ksy s VAL 761 CO 0.34 0.00 0.23 -1.61 -0.31 0.00 0.00 175.10 173.75 3ksy s GLU 762 N -2.82 4.04 0.41 4.82 0.41 -1.26 -5.07 118.70 119.23 3ksy s GLU 762 Ca 0.69 -0.18 -0.09 0.00 -0.41 0.00 0.00 54.97 54.99 3ksy s GLU 762 Cb -0.41 -3.59 -0.06 0.00 -1.78 0.00 0.00 34.13 28.30 3ksy s GLU 762 CO 0.49 -0.06 0.75 -1.58 -0.49 0.00 0.00 175.26 174.36 3ksy s TRP 763 N 1.41 3.49 0.26 1.61 0.23 -1.26 -4.54 118.94 120.14 3ksy s TRP 763 Ca 0.10 0.95 0.03 0.00 -2.03 0.00 0.00 56.10 55.15 3ksy s TRP 763 Cb -0.15 -2.38 0.03 0.00 0.03 0.00 0.00 33.47 31.01 3ksy s TRP 763 CO 0.07 -0.11 0.26 -2.39 0.96 0.00 0.00 176.95 175.75 3ksy n HIS 764 N -1.44 -1.70 -0.31 -1.98 1.44 -1.26 -4.60 115.22 105.36 3ksy n HIS 764 Ca 0.02 -1.04 -0.01 0.00 -2.01 0.00 0.00 57.72 54.68 3ksy n HIS 764 Cb 0.54 -0.23 0.17 0.00 0.12 0.00 0.00 29.99 30.60 3ksy n HIS 764 CO 0.00 0.00 0.00 0.82 -2.81 0.00 0.00 176.34 174.35 3ksy h ILE 765 N 0.37 1.22 -3.31 0.61 2.04 -1.86 -3.41 117.51 113.17 3ksy h ILE 765 Ca -0.15 -0.41 -0.57 0.00 1.00 0.00 0.00 64.86 64.73 3ksy h ILE 765 Cb 0.59 -0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 3ksy h ILE 765 CO 0.22 0.22 -0.00 -0.94 0.00 0.00 0.00 178.15 177.65 3ksy s SER 766 N -6.21 7.01 0.69 1.72 1.04 -1.26 -5.04 113.70 111.65 3ksy s SER 766 Ca -0.12 1.20 -0.17 0.00 0.48 0.00 0.00 55.95 57.34 3ksy s SER 766 Cb 0.18 -2.37 -0.03 0.00 0.10 0.00 0.00 66.02 63.90 3ksy s SER 766 CO 0.80 0.12 0.76 0.54 0.98 0.00 0.00 173.24 176.44 3ksy n ARG 767 N 2.59 0.48 -2.01 4.02 1.74 -1.26 -4.94 116.66 117.28 3ksy n ARG 767 Ca -0.07 0.21 -0.38 0.00 -0.77 0.00 0.00 57.85 56.84 3ksy n ARG 767 Cb 0.51 -2.01 0.01 0.00 -1.02 0.00 0.00 32.46 29.95 3ksy n ARG 767 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 3ksy s PRO 768 N -2.92 3.55 0.00 5.56 0.02 -1.26 -3.06 135.00 136.88 3ksy s PRO 768 Ca 0.70 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.79 3ksy s PRO 768 Cb -0.37 -2.43 0.00 0.00 0.02 0.00 0.00 34.50 31.73 3ksy s PRO 768 CO 0.53 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.80 3ksy n GLY 769 N 0.61 3.08 2.85 0.52 0.00 -1.26 -4.96 105.19 106.03 3ksy n GLY 769 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3ksy n GLY 769 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ksy n HIS 770 N -1.09 3.06 0.29 1.61 8.25 -1.17 -4.74 115.22 121.43 3ksy n HIS 770 Ca 0.00 -2.63 0.18 0.00 -0.26 0.00 0.00 57.72 55.01 3ksy n HIS 770 Cb 0.00 -2.31 0.92 0.00 1.12 0.00 0.00 29.99 29.72 3ksy n HIS 770 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 3ksy h ILE 771 N 4.17 0.14 -0.25 1.59 3.07 -1.92 -2.03 117.51 122.27 3ksy h ILE 771 Ca 0.52 0.00 -0.14 0.00 1.55 0.00 0.00 64.86 66.80 3ksy h ILE 771 Cb 0.65 0.79 -0.00 0.00 -0.27 0.00 0.00 36.82 37.99 3ksy h ILE 771 CO 1.90 0.00 -0.38 -0.33 -1.05 0.00 0.00 178.15 178.30 3ksy h GLU 772 N 0.00 0.70 0.00 0.16 3.07 -1.99 -3.03 114.58 113.49 3ksy h GLU 772 Ca 0.04 -0.42 0.00 0.00 -0.50 0.00 0.00 59.36 58.48 3ksy h GLU 772 Cb 0.49 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 3ksy h GLU 772 CO -0.00 1.04 0.00 0.25 -1.40 0.00 0.00 179.01 178.90 3ksy n THR 773 N -4.21 0.65 -1.63 1.13 -2.24 -0.77 -4.85 114.28 102.35 3ksy n THR 773 Ca -0.05 0.08 -0.48 0.00 -2.27 0.00 0.00 64.05 61.33 3ksy n THR 773 Cb 0.52 -0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 67.86 3ksy n THR 773 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3ksy n PHE 774 N -1.85 1.87 -3.63 4.78 3.01 -1.15 -4.81 117.46 115.68 3ksy n PHE 774 Ca 0.04 0.47 -0.04 0.00 1.01 0.00 0.00 57.45 58.93 3ksy n PHE 774 Cb 0.28 -2.43 -0.01 0.00 -0.01 0.00 0.00 39.48 37.30 3ksy n PHE 774 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3ksy s ASP 775 N 0.60 -0.20 0.15 4.37 2.15 -1.26 -4.99 116.67 117.48 3ksy s ASP 775 Ca 0.79 -0.17 -0.18 0.00 0.43 0.00 0.00 52.55 53.43 3ksy s ASP 775 Cb -0.80 0.34 0.05 0.00 -0.30 0.00 0.00 42.92 42.20 3ksy s ASP 775 CO 0.44 -0.59 1.69 0.25 -0.17 0.00 0.00 175.17 176.79 3ksy h LEU 776 N 2.00 -0.23 -0.40 -1.34 5.85 -1.92 -1.52 115.31 117.74 3ksy h LEU 776 Ca -0.22 0.09 -0.13 0.00 0.84 0.00 0.00 57.88 58.45 3ksy h LEU 776 Cb 1.22 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 3ksy h LEU 776 CO 0.27 -0.08 -0.62 -0.07 -0.34 0.00 0.00 178.44 177.61 3ksy h LEU 777 N 0.03 0.00 0.16 2.25 3.38 -1.97 -3.37 115.31 115.80 3ksy h LEU 777 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3ksy h LEU 777 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3ksy h LEU 777 CO -0.30 0.62 -0.08 0.71 0.09 0.00 0.00 178.44 179.48 3ksy h THR 778 N 0.00 0.00 -3.14 0.22 1.35 -1.76 -3.46 112.91 106.11 3ksy h THR 778 Ca -0.01 -0.76 -0.57 0.00 -0.55 0.00 0.00 66.41 64.52 3ksy h THR 778 Cb 1.30 0.00 0.18 0.00 -1.73 0.00 0.00 68.15 67.89 3ksy h THR 778 CO 0.08 0.00 -0.32 0.18 -0.25 0.00 0.00 175.52 175.21 3ksy n LEU 779 N -4.70 1.21 -4.72 3.87 4.77 -0.62 -2.82 117.00 113.99 3ksy n LEU 779 Ca -0.03 0.69 -0.42 0.00 -0.03 0.00 0.00 56.01 56.23 3ksy n LEU 779 Cb 0.09 -1.22 -0.04 0.00 -2.33 0.00 0.00 43.42 39.92 3ksy n LEU 779 CO 0.07 -2.92 0.74 -2.28 -1.33 0.00 0.00 177.39 171.67 3ksy s HIS 780 N -1.76 3.64 0.08 -1.77 5.65 -1.26 -4.88 115.29 114.99 3ksy s HIS 780 Ca 0.69 1.63 -0.17 0.00 0.25 0.00 0.00 55.06 57.45 3ksy s HIS 780 Cb -0.40 -3.19 -0.05 0.00 -1.18 0.00 0.00 32.58 27.76 3ksy s HIS 780 CO 0.55 -0.32 1.29 -1.35 -0.65 0.00 0.00 174.74 174.26 3ksy h PRO 781 N 6.22 -0.09 0.00 2.88 0.11 -1.91 -0.79 132.00 138.43 3ksy h PRO 781 Ca -0.42 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 3ksy h PRO 781 Cb 1.22 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3ksy h PRO 781 CO 0.75 -0.06 -0.10 -0.84 -0.21 0.00 0.00 178.00 177.54 3ksy h ILE 782 N -0.09 1.06 -0.45 4.15 3.07 -1.93 -1.95 117.51 121.37 3ksy h ILE 782 Ca 0.07 -0.36 -0.13 0.00 1.55 0.00 0.00 64.86 65.98 3ksy h ILE 782 Cb 0.26 1.20 -0.01 0.00 -0.27 0.00 0.00 36.82 38.00 3ksy h ILE 782 CO -0.43 0.10 -0.25 -0.08 -1.05 0.00 0.00 178.15 176.45 3ksy h GLU 783 N 0.00 0.94 -0.54 0.16 4.57 -1.47 -1.46 114.58 116.78 3ksy h GLU 783 Ca -0.00 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 3ksy h GLU 783 Cb 0.19 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 3ksy h GLU 783 CO 0.01 1.08 0.35 0.82 -1.18 0.00 0.00 179.01 180.09 3ksy h ILE 784 N 0.81 1.15 -0.35 2.32 2.04 -0.47 -2.18 117.51 120.83 3ksy h ILE 784 Ca 0.10 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 3ksy h ILE 784 Cb 0.82 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3ksy h ILE 784 CO 0.07 0.15 0.02 0.00 0.00 0.00 0.00 178.15 178.39 3ksy h ALA 785 N 1.18 0.47 -0.12 1.87 0.00 -1.33 -1.38 119.26 119.94 3ksy h ALA 785 Ca 0.20 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3ksy h ALA 785 Cb -0.05 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3ksy h ALA 785 CO -0.04 0.22 -0.20 0.00 0.00 0.00 0.00 179.25 179.22 3ksy h ARG 786 N 0.43 -0.25 -0.43 0.00 3.08 -1.14 0.46 114.38 116.53 3ksy h ARG 786 Ca 0.10 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 3ksy h ARG 786 Cb 0.42 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 3ksy h ARG 786 CO 0.01 -0.17 0.00 1.96 -1.07 0.00 0.00 179.97 180.71 3ksy h GLN 787 N -0.26 0.69 -0.21 0.04 1.08 -1.31 -0.02 115.11 115.12 3ksy h GLN 787 Ca 0.10 -0.17 -0.18 0.00 -1.45 0.00 0.00 58.65 56.95 3ksy h GLN 787 Cb 0.40 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.74 3ksy h GLN 787 CO -0.28 0.70 -0.59 -0.07 -0.95 0.00 0.00 178.83 177.65 3ksy h LEU 788 N 0.65 0.75 -0.40 1.46 3.38 -0.86 -1.58 115.31 118.70 3ksy h LEU 788 Ca 0.13 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 3ksy h LEU 788 Cb 0.40 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3ksy h LEU 788 CO 0.02 1.16 0.16 0.74 0.09 0.00 0.00 178.44 180.61 3ksy h THR 789 N 0.50 1.20 -0.03 0.22 2.02 0.52 0.17 112.91 117.51 3ksy h THR 789 Ca 0.00 -0.60 0.01 0.00 0.77 0.00 0.00 66.41 66.59 3ksy h THR 789 Cb 1.16 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 3ksy h THR 789 CO 0.12 0.22 -0.02 -0.07 0.37 0.00 0.00 175.52 176.14 3ksy h LEU 790 N 0.50 -0.06 -0.17 2.58 3.38 -1.02 -0.20 115.31 120.33 3ksy h LEU 790 Ca 0.13 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3ksy h LEU 790 Cb 0.19 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3ksy h LEU 790 CO -0.01 -0.03 -0.02 0.25 0.09 0.00 0.00 178.44 178.72 3ksy h LEU 791 N -0.02 -0.11 -1.02 1.67 6.46 -1.00 -1.47 115.31 119.82 3ksy h LEU 791 Ca 0.02 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.78 3ksy h LEU 791 Cb 0.04 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 3ksy h LEU 791 CO -0.04 -0.03 -0.20 -0.33 -0.62 0.00 0.00 178.44 177.21 3ksy h GLU 792 N 0.03 0.00 -0.09 1.25 5.08 -0.58 -2.82 114.58 117.45 3ksy h GLU 792 Ca 0.08 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 3ksy h GLU 792 Cb 0.11 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.37 3ksy h GLU 792 CO -0.15 0.20 -0.58 1.03 -1.00 0.00 0.00 179.01 178.51 3ksy h SER 793 N 0.00 0.66 -0.68 1.42 0.87 -0.42 -2.30 113.55 113.11 3ksy h SER 793 Ca -0.00 -0.66 -0.00 0.00 -1.23 0.00 0.00 61.79 59.89 3ksy h SER 793 Cb 0.78 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.51 3ksy h SER 793 CO 0.03 1.22 0.41 0.44 -0.53 0.00 0.00 176.83 178.40 3ksy h ASP 794 N 0.15 0.82 -0.64 6.23 5.19 -1.22 -0.55 116.42 126.41 3ksy h ASP 794 Ca -0.05 -0.06 0.01 0.00 -0.62 0.00 0.00 57.03 56.30 3ksy h ASP 794 Cb 1.24 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 40.51 3ksy h ASP 794 CO 0.12 0.64 0.42 -0.07 -3.12 0.00 0.00 179.24 177.23 3ksy h LEU 795 N 0.93 0.73 -0.48 1.55 3.38 -1.50 0.47 115.31 120.39 3ksy h LEU 795 Ca 0.24 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 3ksy h LEU 795 Cb -0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3ksy h LEU 795 CO -0.05 0.54 0.01 0.22 0.09 0.00 0.00 178.44 179.25 3ksy h TYR 796 N 0.86 0.91 -0.65 1.13 3.20 -1.10 -2.82 116.97 118.49 3ksy h TYR 796 Ca 0.23 -0.15 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 3ksy h TYR 796 Cb -0.09 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 37.91 3ksy h TYR 796 CO -0.03 0.86 0.11 -0.09 -1.64 0.00 0.00 178.16 177.37 3ksy h ARG 797 N 0.69 1.07 -0.10 1.82 2.43 -0.80 -2.91 114.38 116.59 3ksy h ARG 797 Ca 0.14 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3ksy h ARG 797 Cb 0.49 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 3ksy h ARG 797 CO 0.02 0.98 -0.05 0.00 -1.51 0.00 0.00 179.97 179.41 3ksy h ALA 798 N 1.10 1.74 -2.00 2.80 0.00 -0.70 -3.43 119.26 118.78 3ksy h ALA 798 Ca 0.20 -0.10 -0.59 0.00 0.00 0.00 0.00 54.91 54.41 3ksy h ALA 798 Cb 0.43 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.17 3ksy h ALA 798 CO 0.01 0.19 1.29 0.28 0.00 0.00 0.00 179.25 181.02 3ksy n VAL 799 N -4.40 0.53 -2.97 0.00 0.31 -1.08 -4.93 118.33 105.77 3ksy n VAL 799 Ca -0.01 -0.23 -0.40 0.00 -0.01 0.00 0.00 64.34 63.69 3ksy n VAL 799 Cb 0.18 -2.17 -0.06 0.00 -0.91 0.00 0.00 33.84 30.88 3ksy n VAL 799 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3ksy s GLN 800 N 5.08 4.55 0.46 5.55 -1.52 -1.26 -4.94 119.66 127.57 3ksy s GLN 800 Ca 0.96 1.14 0.30 0.00 -1.95 0.00 0.00 55.36 55.81 3ksy s GLN 800 Cb -0.54 -3.30 1.61 0.00 -0.22 0.00 0.00 33.01 30.56 3ksy s GLN 800 CO 0.44 0.48 1.90 -1.35 -0.25 0.00 0.00 175.29 176.51 3ksy h PRO 801 N 4.76 0.00 -0.42 2.91 0.11 -1.93 -1.93 132.00 135.50 3ksy h PRO 801 Ca -0.46 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 3ksy h PRO 801 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3ksy h PRO 801 CO 0.68 0.00 -0.03 0.77 -0.21 0.00 0.00 178.00 179.20 3ksy h SER 802 N 0.00 0.76 0.05 -2.05 0.02 -1.92 -2.95 113.55 107.45 3ksy h SER 802 Ca 0.00 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3ksy h SER 802 Cb 0.06 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.40 3ksy h SER 802 CO 0.00 0.90 0.00 -0.62 -1.14 0.00 0.00 176.83 175.97 3ksy n GLU 803 N -4.38 0.06 -0.19 3.45 1.02 -0.72 -1.54 120.64 118.34 3ksy n GLU 803 Ca -0.01 0.20 0.07 0.00 -0.02 0.00 0.00 57.16 57.41 3ksy n GLU 803 Cb 0.32 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.39 3ksy n GLU 803 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ksy n LEU 804 N -1.22 2.84 -4.29 -4.62 4.32 -1.12 -4.33 117.00 108.57 3ksy n LEU 804 Ca 0.02 -2.75 -0.33 0.00 -0.02 0.00 0.00 56.01 52.93 3ksy n LEU 804 Cb 0.02 -0.37 -0.15 0.00 -1.62 0.00 0.00 43.42 41.30 3ksy n LEU 804 CO 0.02 0.67 -0.48 -0.69 -1.22 0.00 0.00 177.39 175.69 3ksy s VAL 805 N -2.31 2.73 -0.46 4.08 1.01 -0.59 -4.59 120.40 120.28 3ksy s VAL 805 Ca 0.29 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3ksy s VAL 805 Cb 0.23 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.47 3ksy s VAL 805 CO 0.06 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3ksy n GLY 806 N 3.83 0.71 3.70 4.51 0.00 -1.26 -3.63 105.19 113.05 3ksy n GLY 806 Ca -0.19 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 3ksy n GLY 806 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ksy n SER 807 N 1.00 -2.39 0.16 1.61 7.64 -1.26 -4.87 113.62 115.51 3ksy n SER 807 Ca -0.04 -0.76 0.13 0.00 1.01 0.00 0.00 58.87 59.20 3ksy n SER 807 Cb 0.16 -4.24 0.49 0.00 -1.01 0.00 0.00 64.21 59.62 3ksy n SER 807 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 3ksy h VAL 808 N -1.98 0.00 0.00 0.44 -1.51 -1.81 -2.50 116.25 108.90 3ksy h VAL 808 Ca -0.60 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 64.49 3ksy h VAL 808 Cb 1.36 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.76 3ksy h VAL 808 CO 0.58 0.00 -0.09 4.11 -1.23 0.00 0.00 177.57 180.94 3ksy h TRP 809 N 0.00 0.00 0.00 5.19 0.09 -1.89 -3.15 115.95 116.18 3ksy h TRP 809 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3ksy h TRP 809 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.75 3ksy h TRP 809 CO 0.00 0.00 -0.88 1.79 0.09 0.00 0.00 178.44 179.44 3ksy h THR 810 N 0.00 0.00 -4.08 0.12 1.35 -1.83 -3.43 112.91 105.04 3ksy h THR 810 Ca 0.00 -0.76 -0.50 0.00 -0.55 0.00 0.00 66.41 64.60 3ksy h THR 810 Cb 0.97 1.26 0.07 0.00 -1.73 0.00 0.00 68.15 68.72 3ksy h THR 810 CO 0.00 0.00 0.43 -0.75 -0.25 0.00 0.00 175.52 174.95 3ksy s LYS 811 N -3.28 3.37 0.44 4.72 2.20 -1.16 -4.90 119.74 121.13 3ksy s LYS 811 Ca 0.02 1.61 0.22 0.00 -0.36 0.00 0.00 55.97 57.47 3ksy s LYS 811 Cb 0.11 -2.01 1.20 0.00 -1.51 0.00 0.00 37.83 35.62 3ksy s LYS 811 CO 0.77 -0.84 1.83 0.93 -0.36 0.00 0.00 175.35 177.68 3ksy h GLU 812 N 1.22 0.29 -2.47 4.03 5.08 -1.91 -1.15 114.58 119.67 3ksy h GLU 812 Ca -0.50 -0.02 -0.64 0.00 -1.00 0.00 0.00 59.36 57.20 3ksy h GLU 812 Cb 1.26 -0.06 -0.12 0.00 0.50 0.00 0.00 28.75 30.33 3ksy h GLU 812 CO 0.57 0.19 1.92 -0.25 -1.00 0.00 0.00 179.01 180.44 3ksy n ASP 813 N -4.47 7.58 0.05 1.42 8.00 -1.26 -4.58 116.55 123.29 3ksy n ASP 813 Ca 0.21 -3.05 -0.14 0.00 0.71 0.00 0.00 54.79 52.53 3ksy n ASP 813 Cb 0.85 -1.36 -0.04 0.00 -0.02 0.00 0.00 41.12 40.55 3ksy n ASP 813 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 3ksy h LYS 814 N 4.16 0.49 0.00 -1.24 2.10 -1.37 -3.15 116.57 117.55 3ksy h LYS 814 Ca 0.62 -0.47 -0.02 0.00 -2.00 0.00 0.00 60.65 58.77 3ksy h LYS 814 Cb 0.48 0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 31.92 3ksy h LYS 814 CO 1.29 1.11 -0.10 0.93 -2.00 0.00 0.00 179.45 180.68 3ksy h GLU 815 N 0.30 0.00 0.03 0.07 4.39 -1.86 -1.24 114.58 116.27 3ksy h GLU 815 Ca -0.07 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.38 3ksy h GLU 815 Cb 1.50 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.13 3ksy h GLU 815 CO 0.16 0.10 -1.38 0.82 -1.16 0.00 0.00 179.01 177.54 3ksy h ILE 816 N 0.00 0.88 0.02 3.13 1.08 -1.94 -3.32 117.51 117.37 3ksy h ILE 816 Ca -0.00 -2.22 -0.21 0.00 -0.39 0.00 0.00 64.86 62.03 3ksy h ILE 816 Cb 0.30 2.32 -0.02 0.00 -3.07 0.00 0.00 36.82 36.35 3ksy h ILE 816 CO 0.01 0.45 -0.99 0.78 -0.69 0.00 0.00 178.15 177.72 3ksy h ASN 817 N -0.76 0.12 -2.12 1.72 2.35 -1.53 -3.38 115.58 111.98 3ksy h ASN 817 Ca -0.35 -0.12 -0.54 0.00 -0.55 0.00 0.00 56.30 54.74 3ksy h ASN 817 Cb 1.46 -0.04 -0.41 0.00 0.05 0.00 0.00 38.32 39.39 3ksy h ASN 817 CO -0.14 1.03 -0.92 -1.20 -1.65 0.00 0.00 177.43 174.55 3ksy n SER 818 N -3.48 2.37 -0.12 5.81 7.64 -0.47 -4.29 113.62 121.08 3ksy n SER 818 Ca -0.02 -3.26 -0.02 0.00 1.01 0.00 0.00 58.87 56.57 3ksy n SER 818 Cb 0.90 -0.61 0.21 0.00 -1.01 0.00 0.00 64.21 63.70 3ksy n SER 818 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3ksy h PRO 819 N 3.23 0.80 0.12 1.43 0.11 -1.73 -2.67 132.00 133.29 3ksy h PRO 819 Ca 0.12 -0.15 -0.23 0.00 0.11 0.00 0.00 66.00 65.84 3ksy h PRO 819 Cb 0.76 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.75 3ksy h PRO 819 CO 0.65 0.72 -1.13 -0.91 -0.21 0.00 0.00 178.00 177.11 3ksy h ASN 820 N 0.78 0.39 0.08 -2.05 2.35 -1.92 -2.76 115.58 112.45 3ksy h ASN 820 Ca 0.17 -0.88 0.02 0.00 -0.55 0.00 0.00 56.30 55.06 3ksy h ASN 820 Cb 0.27 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 3ksy h ASN 820 CO -0.00 1.51 -0.27 0.25 -1.65 0.00 0.00 177.43 177.26 3ksy h LEU 821 N -0.38 -0.79 -0.60 1.61 5.85 -1.91 -1.27 115.31 117.82 3ksy h LEU 821 Ca -0.23 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.60 3ksy h LEU 821 Cb 1.67 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 42.98 3ksy h LEU 821 CO 0.08 -0.36 0.39 -0.07 -0.34 0.00 0.00 178.44 178.14 3ksy h LEU 822 N -0.47 0.66 -1.71 2.25 3.38 -1.62 -1.46 115.31 116.35 3ksy h LEU 822 Ca 0.04 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.10 3ksy h LEU 822 Cb 0.51 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3ksy h LEU 822 CO -0.18 0.47 0.38 0.50 0.09 0.00 0.00 178.44 179.70 3ksy h LYS 823 N 0.78 0.32 -0.00 1.13 3.64 -1.15 -0.09 116.57 121.19 3ksy h LYS 823 Ca 0.23 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3ksy h LYS 823 Cb -0.05 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3ksy h LYS 823 CO -0.07 0.21 -0.04 1.98 -2.27 0.00 0.00 179.45 179.26 3ksy h MET 824 N 0.32 0.03 -0.44 1.90 4.05 -0.41 -3.13 114.93 117.27 3ksy h MET 824 Ca 0.26 -0.03 0.06 0.00 -0.28 0.00 0.00 59.70 59.71 3ksy h MET 824 Cb 0.60 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.36 3ksy h MET 824 CO -0.06 0.79 0.12 0.82 0.23 0.00 0.00 176.91 178.80 3ksy h ILE 825 N -0.71 0.81 -0.43 1.77 2.04 -0.75 -1.17 117.51 119.07 3ksy h ILE 825 Ca -0.00 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.84 3ksy h ILE 825 Cb 0.80 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3ksy h ILE 825 CO 0.01 0.05 0.29 0.03 0.00 0.00 0.00 178.15 178.53 3ksy h ARG 826 N 0.26 0.28 -0.09 2.37 3.08 -1.13 -2.29 114.38 116.85 3ksy h ARG 826 Ca 0.21 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 3ksy h ARG 826 Cb 0.24 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3ksy h ARG 826 CO -0.25 0.18 0.01 1.25 -1.07 0.00 0.00 179.97 180.09 3ksy h HIS 827 N 0.28 0.17 -0.49 3.04 2.76 -1.16 -1.82 115.15 117.94 3ksy h HIS 827 Ca 0.19 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.37 3ksy h HIS 827 Cb 0.40 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.27 3ksy h HIS 827 CO -0.00 0.40 0.27 1.15 -1.30 0.00 0.00 177.93 178.45 3ksy h THR 828 N -0.10 1.01 0.45 6.26 2.02 -1.12 -0.20 112.91 121.22 3ksy h THR 828 Ca 0.03 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 3ksy h THR 828 Cb 0.32 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 3ksy h THR 828 CO 0.00 0.10 -0.50 0.74 0.37 0.00 0.00 175.52 176.23 3ksy h THR 829 N 0.54 0.00 -0.41 3.16 2.02 -1.40 -0.77 112.91 116.05 3ksy h THR 829 Ca 0.21 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.45 3ksy h THR 829 Cb 0.07 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.42 3ksy h THR 829 CO -0.12 0.00 0.07 0.78 0.37 0.00 0.00 175.52 176.62 3ksy h ASN 830 N -0.96 -0.02 0.31 4.18 -0.26 -1.06 0.54 115.58 118.31 3ksy h ASN 830 Ca -0.06 0.07 -0.02 0.00 -0.56 0.00 0.00 56.30 55.74 3ksy h ASN 830 Cb 0.85 0.10 0.00 0.00 -1.06 0.00 0.00 38.32 38.22 3ksy h ASN 830 CO -0.09 0.03 -0.15 0.25 -1.06 0.00 0.00 177.43 176.40 3ksy h LEU 831 N 0.19 -0.36 -0.37 1.61 5.85 -1.00 0.43 115.31 121.67 3ksy h LEU 831 Ca 0.20 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.94 3ksy h LEU 831 Cb 0.25 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 3ksy h LEU 831 CO -0.27 -0.17 -0.15 0.74 -0.34 0.00 0.00 178.44 178.25 3ksy h THR 832 N -0.52 0.52 -0.60 1.05 2.02 -0.94 -0.33 112.91 114.11 3ksy h THR 832 Ca -0.04 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.16 3ksy h THR 832 Cb 0.39 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 3ksy h THR 832 CO 0.07 0.00 0.37 -0.07 0.37 0.00 0.00 175.52 176.26 3ksy h LEU 833 N -0.08 0.61 -0.92 2.58 3.38 -0.69 -1.81 115.31 118.38 3ksy h LEU 833 Ca 0.18 -0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.26 3ksy h LEU 833 Cb 0.36 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.89 3ksy h LEU 833 CO -0.42 0.43 0.55 -0.25 0.09 0.00 0.00 178.44 178.84 3ksy h TRP 834 N 0.74 1.01 0.29 1.13 7.01 0.86 0.28 115.95 127.27 3ksy h TRP 834 Ca 0.24 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.26 3ksy h TRP 834 Cb 0.01 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 26.76 3ksy h TRP 834 CO -0.05 0.40 -0.14 0.74 -2.79 0.00 0.00 178.44 176.60 3ksy h PHE 835 N 0.90 -0.36 -0.81 2.65 0.04 -0.29 0.30 116.94 119.36 3ksy h PHE 835 Ca 0.45 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 61.26 3ksy h PHE 835 Cb 0.44 0.12 -0.05 0.00 2.20 0.00 0.00 35.95 38.66 3ksy h PHE 835 CO -0.03 -0.20 0.53 0.93 -0.60 0.00 0.00 178.31 178.94 3ksy h GLU 836 N -0.42 0.92 -0.40 1.51 5.08 -0.67 -1.59 114.58 119.01 3ksy h GLU 836 Ca -0.04 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.16 3ksy h GLU 836 Cb 0.32 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3ksy h GLU 836 CO 0.07 0.61 -0.17 -0.22 -1.00 0.00 0.00 179.01 178.30 3ksy h LYS 837 N 0.95 0.75 0.00 2.33 3.64 -0.11 -0.72 116.57 123.40 3ksy h LYS 837 Ca 0.34 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3ksy h LYS 837 Cb 0.12 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3ksy h LYS 837 CO -0.11 0.87 -0.12 0.00 -2.27 0.00 0.00 179.45 177.82 3ksy h ILE 839 N 0.00 0.00 0.00 0.00 2.04 -0.75 -3.34 117.51 115.46 3ksy h ILE 839 Ca -0.00 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 3ksy h ILE 839 Cb 0.45 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3ksy h ILE 839 CO 0.02 0.00 -0.03 -0.37 0.00 0.00 0.00 178.15 177.77 3ksy h VAL 840 N -0.47 0.62 0.00 1.67 -1.51 -1.28 -0.88 116.25 114.40 3ksy h VAL 840 Ca 0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 3ksy h VAL 840 Cb 0.19 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 3ksy h VAL 840 CO 0.00 0.03 -0.08 -0.33 -1.23 0.00 0.00 177.57 175.95 3ksy h GLU 841 N 0.00 0.00 -5.98 5.19 5.08 -1.71 -3.40 114.58 113.76 3ksy h GLU 841 Ca -0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 3ksy h GLU 841 Cb 0.07 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.21 3ksy h GLU 841 CO 0.00 0.00 1.32 0.99 -1.00 0.00 0.00 179.01 180.32 3ksy s THR 842 N -3.17 4.01 0.17 1.13 2.01 -0.34 -4.85 115.64 114.61 3ksy s THR 842 Ca 0.08 -0.70 -0.11 0.00 0.31 0.00 0.00 61.69 61.28 3ksy s THR 842 Cb 0.09 -4.99 0.07 0.00 0.01 0.00 0.00 72.50 67.68 3ksy s THR 842 CO 0.65 -1.86 1.68 -0.33 -0.69 0.00 0.00 174.62 174.07 3ksy h GLU 843 N 9.70 0.99 -6.38 4.92 5.08 -1.82 -3.41 114.58 123.65 3ksy h GLU 843 Ca 0.11 -0.25 -0.54 0.00 -1.00 0.00 0.00 59.36 57.68 3ksy h GLU 843 Cb 1.02 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.16 3ksy h GLU 843 CO 1.36 0.92 1.01 1.21 -1.00 0.00 0.00 179.01 182.50 3ksy s ASN 844 N -6.34 6.65 0.15 1.42 3.84 -1.25 -4.65 114.94 114.76 3ksy s ASN 844 Ca -0.12 2.37 -0.15 0.00 0.21 0.00 0.00 52.86 55.17 3ksy s ASN 844 Cb 0.13 -2.55 0.02 0.00 -0.55 0.00 0.00 41.25 38.30 3ksy s ASN 844 CO 0.83 -0.88 1.78 0.25 -2.79 0.00 0.00 177.10 176.29 3ksy h LEU 845 N 9.06 0.54 -1.10 3.21 5.85 -1.83 0.16 115.31 131.20 3ksy h LEU 845 Ca -0.41 -0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.34 3ksy h LEU 845 Cb 1.19 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.02 3ksy h LEU 845 CO 0.93 0.44 0.61 -0.33 -0.34 0.00 0.00 178.44 179.76 3ksy h GLU 846 N 0.59 0.95 0.15 1.25 3.07 -1.94 -0.54 114.58 118.10 3ksy h GLU 846 Ca 0.16 -0.06 -0.25 0.00 -0.50 0.00 0.00 59.36 58.71 3ksy h GLU 846 Cb 0.01 -0.21 0.03 0.00 -0.84 0.00 0.00 28.75 27.73 3ksy h GLU 846 CO -0.03 0.63 -1.06 0.93 -1.40 0.00 0.00 179.01 178.08 3ksy h GLU 847 N 0.98 0.46 -0.29 2.33 5.08 -1.82 -3.06 114.58 118.27 3ksy h GLU 847 Ca 0.45 -0.69 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 3ksy h GLU 847 Cb 0.40 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3ksy h GLU 847 CO -0.21 1.31 0.14 -0.09 -1.00 0.00 0.00 179.01 179.16 3ksy h ARG 848 N -0.04 0.39 -0.25 2.33 2.43 -0.63 0.41 114.38 119.03 3ksy h ARG 848 Ca -0.17 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.93 3ksy h ARG 848 Cb 1.80 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.26 3ksy h ARG 848 CO 0.20 0.31 0.03 0.28 -1.51 0.00 0.00 179.97 179.28 3ksy h VAL 849 N 0.40 1.24 -0.20 0.20 2.07 -1.15 -1.25 116.25 117.56 3ksy h VAL 849 Ca 0.10 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 66.86 3ksy h VAL 849 Cb 0.04 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 3ksy h VAL 849 CO -0.01 0.26 -0.11 0.00 0.02 0.00 0.00 177.57 177.72 3ksy h ALA 850 N 0.84 0.05 0.14 1.67 0.00 -1.19 0.19 119.26 120.96 3ksy h ALA 850 Ca 0.07 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3ksy h ALA 850 Cb 0.36 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3ksy h ALA 850 CO 0.01 -0.54 -0.34 0.28 0.00 0.00 0.00 179.25 178.66 3ksy h VAL 851 N -0.09 0.29 -0.71 0.00 2.07 -0.81 0.48 116.25 117.48 3ksy h VAL 851 Ca 0.11 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.73 3ksy h VAL 851 Cb 0.26 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.25 3ksy h VAL 851 CO -0.26 0.00 0.35 0.58 0.02 0.00 0.00 177.57 178.26 3ksy h VAL 852 N -0.58 0.83 -0.70 2.57 2.07 -1.02 -0.03 116.25 119.39 3ksy h VAL 852 Ca 0.02 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3ksy h VAL 852 Cb 0.60 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3ksy h VAL 852 CO -0.18 0.11 0.45 -1.28 0.02 0.00 0.00 177.57 176.68 3ksy h SER 853 N 0.59 0.82 -0.24 0.57 0.87 0.35 -1.96 113.55 114.55 3ksy h SER 853 Ca 0.35 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.86 3ksy h SER 853 Cb 0.39 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3ksy h SER 853 CO -0.28 0.62 0.10 -0.09 -0.53 0.00 0.00 176.83 176.65 3ksy h ARG 854 N 0.96 0.36 -0.91 2.24 9.65 0.11 -2.14 114.38 124.65 3ksy h ARG 854 Ca 0.26 -0.07 0.08 0.00 -1.10 0.00 0.00 59.98 59.15 3ksy h ARG 854 Cb -0.07 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 28.38 3ksy h ARG 854 CO -0.05 0.40 0.59 0.82 2.80 0.00 0.00 179.97 184.53 3ksy h ILE 855 N 0.24 1.03 -0.70 1.20 2.04 -0.79 -0.81 117.51 119.72 3ksy h ILE 855 Ca 0.08 -0.34 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 3ksy h ILE 855 Cb 0.18 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.19 3ksy h ILE 855 CO -0.01 0.18 0.14 0.40 0.00 0.00 0.00 178.15 178.86 3ksy h ILE 856 N 0.99 1.26 -0.77 -0.67 2.04 -1.05 -1.83 117.51 117.48 3ksy h ILE 856 Ca 0.40 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 3ksy h ILE 856 Cb 0.28 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 3ksy h ILE 856 CO -0.16 0.39 0.42 -0.33 0.00 0.00 0.00 178.15 178.47 3ksy h GLU 857 N 1.07 1.07 -0.40 2.37 5.08 -0.54 -1.84 114.58 121.40 3ksy h GLU 857 Ca 0.21 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3ksy h GLU 857 Cb 0.41 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3ksy h GLU 857 CO 0.01 0.79 0.16 0.82 -1.00 0.00 0.00 179.01 179.79 3ksy h ILE 858 N 1.07 1.15 -0.64 3.13 2.04 -0.87 -1.30 117.51 122.09 3ksy h ILE 858 Ca 0.27 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.70 3ksy h ILE 858 Cb 0.03 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 3ksy h ILE 858 CO -0.04 0.18 0.38 0.25 0.00 0.00 0.00 178.15 178.92 3ksy h LEU 859 N 0.56 0.60 -0.54 1.44 6.46 -0.51 -2.25 115.31 121.06 3ksy h LEU 859 Ca 0.14 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.98 3ksy h LEU 859 Cb 0.11 -0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 39.87 3ksy h LEU 859 CO -0.01 0.41 0.21 1.56 -0.62 0.00 0.00 178.44 179.99 3ksy h GLN 860 N 0.73 0.40 0.00 1.25 4.20 -0.79 -0.39 115.11 120.51 3ksy h GLN 860 Ca 0.27 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.88 3ksy h GLN 860 Cb 0.07 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3ksy h GLN 860 CO -0.13 0.26 -0.32 0.28 -0.67 0.00 0.00 178.83 178.25 3ksy h VAL 861 N 0.41 0.87 -0.48 -0.54 2.07 -1.33 -0.92 116.25 116.34 3ksy h VAL 861 Ca 0.26 -1.29 -0.12 0.00 0.82 0.00 0.00 66.70 66.36 3ksy h VAL 861 Cb 0.26 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3ksy h VAL 861 CO -0.24 0.32 -0.18 -0.26 0.02 0.00 0.00 177.57 177.23 3ksy h PHE 862 N 0.00 1.06 -0.71 1.57 0.04 -0.67 -1.71 116.94 116.52 3ksy h PHE 862 Ca -0.00 -0.24 -0.07 0.00 2.80 0.00 0.00 57.97 60.46 3ksy h PHE 862 Cb 0.75 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 38.62 3ksy h PHE 862 CO 0.00 1.03 0.19 0.37 -0.60 0.00 0.00 178.31 179.30 3ksy h GLN 863 N 0.82 1.13 0.00 1.51 5.75 0.15 0.26 115.11 124.73 3ksy h GLN 863 Ca 0.12 -0.26 -0.11 0.00 -0.15 0.00 0.00 58.65 58.24 3ksy h GLN 863 Cb 0.73 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.11 3ksy h GLN 863 CO 0.06 0.99 -0.52 1.05 -2.65 0.00 0.00 178.83 177.75 3ksy h GLU 864 N 1.07 0.00 -0.35 1.69 4.11 -1.22 -3.03 114.58 116.85 3ksy h GLU 864 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.66 3ksy h GLU 864 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3ksy h GLU 864 CO -0.00 0.52 0.00 1.28 0.07 0.00 0.00 179.01 180.88 3ksy n LEU 865 N -3.25 1.73 -3.38 3.06 4.77 -0.65 -4.90 117.00 114.38 3ksy n LEU 865 Ca 0.02 -0.86 -0.24 0.00 -0.03 0.00 0.00 56.01 54.89 3ksy n LEU 865 Cb 0.73 -0.24 0.02 0.00 -2.33 0.00 0.00 43.42 41.60 3ksy n LEU 865 CO 0.41 0.40 0.01 0.59 -1.33 0.00 0.00 177.39 177.47 3ksy n ASN 866 N 0.36 -4.72 -3.97 -1.43 3.02 -0.90 -4.71 115.26 102.92 3ksy n ASN 866 Ca 0.10 -0.44 -0.43 0.00 -0.03 0.00 0.00 54.58 53.78 3ksy n ASN 866 Cb 0.29 -3.83 0.01 0.00 -0.61 0.00 0.00 39.78 35.63 3ksy n ASN 866 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3ksy n ASN 867 N -2.48 6.49 0.03 6.41 2.85 0.87 -1.45 115.26 127.98 3ksy n ASN 867 Ca -0.03 -3.44 0.21 0.00 -0.11 0.00 0.00 54.58 51.20 3ksy n ASN 867 Cb 0.56 -1.26 0.72 0.00 1.24 0.00 0.00 39.78 41.04 3ksy n ASN 867 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 3ksy h PHE 868 N 5.31 0.00 0.24 1.20 0.04 -1.66 -2.36 116.94 119.71 3ksy h PHE 868 Ca 0.23 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.98 3ksy h PHE 868 Cb 0.59 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.74 3ksy h PHE 868 CO 1.04 0.00 -0.12 -0.97 -0.60 0.00 0.00 178.31 177.67 3ksy h ASN 869 N 0.00 -0.27 -1.06 2.17 -1.24 -1.58 -1.85 115.58 111.74 3ksy h ASN 869 Ca 0.24 0.01 0.29 0.00 0.71 0.00 0.00 56.30 57.54 3ksy h ASN 869 Cb 1.03 0.07 -0.07 0.00 0.73 0.00 0.00 38.32 40.08 3ksy h ASN 869 CO -0.00 -0.20 0.72 1.23 -1.29 0.00 0.00 177.43 177.89 3ksy h GLY 870 N -0.32 0.73 0.94 1.57 0.00 -1.78 0.93 103.07 105.13 3ksy h GLY 870 Ca -0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 3ksy h GLY 870 CO 0.05 -0.08 -0.46 -2.08 0.00 0.00 0.00 176.54 173.97 3ksy h VAL 871 N 0.24 0.06 0.00 4.60 2.07 -1.28 -2.46 116.25 119.48 3ksy h VAL 871 Ca 0.56 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.08 3ksy h VAL 871 Cb 1.73 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3ksy h VAL 871 CO -0.18 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.34 3ksy h LEU 872 N -1.24 0.00 -0.85 2.57 3.38 -0.35 -0.62 115.31 118.20 3ksy h LEU 872 Ca -0.12 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 3ksy h LEU 872 Cb 0.97 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3ksy h LEU 872 CO 0.17 0.00 -0.25 -0.33 0.09 0.00 0.00 178.44 178.12 3ksy h GLU 873 N 0.00 0.00 0.22 1.13 5.08 -0.58 -2.39 114.58 118.04 3ksy h GLU 873 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 3ksy h GLU 873 Cb 0.30 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.58 3ksy h GLU 873 CO 0.00 0.25 -1.62 0.28 -1.00 0.00 0.00 179.01 176.93 3ksy h VAL 874 N 0.00 1.11 -0.49 3.13 2.07 -0.66 -3.26 116.25 118.15 3ksy h VAL 874 Ca -0.00 -2.60 0.06 0.00 0.82 0.00 0.00 66.70 64.97 3ksy h VAL 874 Cb 0.87 2.91 -0.03 0.00 -1.52 0.00 0.00 31.29 33.52 3ksy h VAL 874 CO 0.03 0.83 0.33 0.58 0.02 0.00 0.00 177.57 179.36 3ksy h VAL 875 N 0.12 0.98 -0.27 2.57 2.07 -1.36 -1.31 116.25 119.05 3ksy h VAL 875 Ca -0.30 -0.15 -0.14 0.00 0.82 0.00 0.00 66.70 66.93 3ksy h VAL 875 Cb 2.14 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 3ksy h VAL 875 CO 0.23 0.08 -0.40 0.28 0.02 0.00 0.00 177.57 177.78 3ksy h SER 876 N 0.44 0.68 0.76 0.57 0.02 -1.50 -0.28 113.55 114.24 3ksy h SER 876 Ca 0.21 -0.30 -0.12 0.00 -0.84 0.00 0.00 61.79 60.73 3ksy h SER 876 Cb 0.27 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 3ksy h SER 876 CO -0.05 1.00 -0.59 0.00 -1.14 0.00 0.00 176.83 176.04 3ksy h ALA 877 N 1.03 0.90 0.00 3.77 0.00 -1.42 -1.62 119.26 121.91 3ksy h ALA 877 Ca 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3ksy h ALA 877 Cb 0.92 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3ksy h ALA 877 CO 0.08 0.74 -0.04 0.52 0.00 0.00 0.00 179.25 180.55 3ksy h MET 878 N 0.00 0.00 -0.01 0.00 2.86 -0.85 -3.13 114.93 113.80 3ksy h MET 878 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3ksy h MET 878 Cb 1.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.79 3ksy h MET 878 CO 0.08 0.00 -0.52 0.09 1.06 0.00 0.00 176.91 177.62 3ksy n ASN 879 N -2.57 1.70 -4.74 1.22 3.02 -0.15 -4.00 115.26 109.74 3ksy n ASN 879 Ca 0.05 -1.35 -0.36 0.00 -0.03 0.00 0.00 54.58 52.89 3ksy n ASN 879 Cb 0.47 0.58 0.05 0.00 -0.61 0.00 0.00 39.78 40.27 3ksy n ASN 879 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3ksy s SER 880 N -2.37 4.88 0.13 6.41 1.04 -0.63 -4.70 113.70 118.46 3ksy s SER 880 Ca 0.15 2.45 -0.19 0.00 0.48 0.00 0.00 55.95 58.83 3ksy s SER 880 Cb 0.16 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.66 3ksy s SER 880 CO 0.56 -1.81 1.71 0.28 0.98 0.00 0.00 173.24 174.97 3ksy h SER 881 N 0.61 -0.12 0.28 7.02 0.02 -1.91 0.29 113.55 119.74 3ksy h SER 881 Ca -0.50 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3ksy h SER 881 Cb 1.31 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.95 3ksy h SER 881 CO 0.54 -0.03 0.00 -0.65 -1.14 0.00 0.00 176.83 175.54 3ksy h PRO 882 N 0.05 0.00 0.00 3.45 0.11 -1.92 -3.22 132.00 130.47 3ksy h PRO 882 Ca 0.10 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.11 3ksy h PRO 882 Cb 0.14 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 3ksy h PRO 882 CO -0.19 0.00 -1.40 0.28 -0.21 0.00 0.00 178.00 176.48 3ksy n VAL 883 N -2.36 0.40 0.16 3.15 0.31 -0.95 -4.61 118.33 114.43 3ksy n VAL 883 Ca -0.00 -0.16 0.09 0.00 -0.01 0.00 0.00 64.34 64.26 3ksy n VAL 883 Cb 0.11 -0.75 0.51 0.00 -0.91 0.00 0.00 33.84 32.80 3ksy n VAL 883 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ksy n TYR 884 N -2.69 0.63 0.17 3.52 9.36 0.97 -1.46 117.16 127.66 3ksy n TYR 884 Ca -0.12 0.33 0.09 0.00 3.32 0.00 0.00 57.90 61.52 3ksy n TYR 884 Cb 0.63 -0.95 0.18 0.00 -0.63 0.00 0.00 39.34 38.57 3ksy n TYR 884 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 3ksy n ARG 885 N -2.18 2.27 -2.24 2.98 1.85 -1.24 -4.78 116.66 113.32 3ksy n ARG 885 Ca -0.01 -2.07 -0.42 0.00 -1.00 0.00 0.00 57.85 54.35 3ksy n ARG 885 Cb 0.14 -1.41 0.00 0.00 -1.05 0.00 0.00 32.46 30.15 3ksy n ARG 885 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3ksy n LEU 886 N 1.13 6.87 -0.19 2.89 4.77 -0.53 -4.78 117.00 127.16 3ksy n LEU 886 Ca 0.16 -4.64 -0.02 0.00 -0.03 0.00 0.00 56.01 51.47 3ksy n LEU 886 Cb 0.51 -1.48 0.08 0.00 -2.33 0.00 0.00 43.42 40.20 3ksy n LEU 886 CO 0.12 1.46 1.01 0.44 -1.33 0.00 0.00 177.39 179.09 3ksy h ASP 887 N 5.61 0.30 -0.08 -1.43 3.32 -1.87 -1.08 116.42 121.20 3ksy h ASP 887 Ca 0.45 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.57 3ksy h ASP 887 Cb 0.59 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 3ksy h ASP 887 CO 1.63 0.20 0.06 0.45 -1.72 0.00 0.00 179.24 179.86 3ksy h HIS 888 N 0.46 0.00 0.05 4.55 3.86 -2.00 -1.85 115.15 120.22 3ksy h HIS 888 Ca 0.27 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.33 3ksy h HIS 888 Cb 0.25 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 3ksy h HIS 888 CO -0.13 0.00 -0.74 1.15 0.86 0.00 0.00 177.93 179.06 3ksy h THR 889 N 0.00 1.37 0.00 2.45 2.02 -1.64 -3.31 112.91 113.80 3ksy h THR 889 Ca 0.04 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.87 3ksy h THR 889 Cb 0.16 2.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 3ksy h THR 889 CO -0.00 0.57 0.00 0.49 0.37 0.00 0.00 175.52 176.95 3ksy n PHE 890 N -4.34 0.00 -0.06 3.16 3.01 -0.53 -2.47 117.46 116.23 3ksy n PHE 890 Ca -0.19 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.10 3ksy n PHE 890 Cb 0.67 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 40.01 3ksy n PHE 890 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 3ksy n GLU 891 N -0.70 0.69 -0.58 -1.08 2.13 -0.72 -4.36 120.64 116.03 3ksy n GLU 891 Ca 0.06 0.19 0.00 0.00 0.66 0.00 0.00 57.16 58.07 3ksy n GLU 891 Cb 0.03 -1.63 0.21 0.00 0.27 0.00 0.00 31.44 30.32 3ksy n GLU 891 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3ksy n GLN 892 N -3.24 3.01 -4.08 5.31 6.02 -1.03 -4.87 117.38 118.50 3ksy n GLN 892 Ca -0.35 -1.86 -0.35 0.00 -0.01 0.00 0.00 57.00 54.44 3ksy n GLN 892 Cb 1.04 -1.91 -0.07 0.00 1.02 0.00 0.00 30.24 30.33 3ksy n GLN 892 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3ksy s ILE 893 N -2.03 4.93 0.51 5.09 -4.36 -1.25 -5.00 121.20 119.09 3ksy s ILE 893 Ca 0.33 -0.17 -0.19 0.00 -0.26 0.00 0.00 60.65 60.35 3ksy s ILE 893 Cb 0.26 -3.19 -0.11 0.00 1.25 0.00 0.00 42.46 40.66 3ksy s ILE 893 CO 0.09 0.48 0.41 -2.65 0.24 0.00 0.00 174.94 173.51 3ksy n PRO 894 N 1.59 0.44 0.20 0.37 -0.02 -1.26 -4.85 135.00 131.47 3ksy n PRO 894 Ca -0.16 0.17 0.09 0.00 -2.02 0.00 0.00 63.50 61.57 3ksy n PRO 894 Cb 0.54 -1.51 0.33 0.00 -0.02 0.00 0.00 33.50 32.84 3ksy n PRO 894 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3ksy h SER 895 N 0.38 0.00 0.30 2.55 0.02 -1.97 -2.87 113.55 111.97 3ksy h SER 895 Ca -0.43 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.39 3ksy h SER 895 Cb 1.41 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.94 3ksy h SER 895 CO 0.48 0.25 -0.51 0.08 -1.14 0.00 0.00 176.83 175.99 3ksy h ARG 896 N 0.00 0.24 0.14 3.45 0.11 -2.01 -2.99 114.38 113.32 3ksy h ARG 896 Ca -0.00 -0.14 -0.29 0.00 0.10 0.00 0.00 59.98 59.65 3ksy h ARG 896 Cb 0.92 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.02 3ksy h ARG 896 CO 0.03 0.69 -1.33 1.96 0.10 0.00 0.00 179.97 181.42 3ksy h GLN 897 N 0.19 0.29 -0.80 0.08 4.20 -1.90 -3.19 115.11 113.98 3ksy h GLN 897 Ca 0.01 -0.50 0.08 0.00 0.06 0.00 0.00 58.65 58.30 3ksy h GLN 897 Cb 0.97 0.18 -0.07 0.00 0.30 0.00 0.00 27.48 28.87 3ksy h GLN 897 CO 0.08 1.21 0.47 0.87 -0.67 0.00 0.00 178.83 180.80 3ksy h LYS 898 N 0.08 0.81 -0.22 1.46 1.57 -1.49 -0.13 116.57 118.64 3ksy h LYS 898 Ca -0.17 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 3ksy h LYS 898 Cb 2.00 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 34.12 3ksy h LYS 898 CO 0.20 0.53 -0.05 0.87 -0.57 0.00 0.00 179.45 180.43 3ksy h LYS 899 N 0.83 0.34 -0.36 3.15 1.79 -1.57 0.18 116.57 120.94 3ksy h LYS 899 Ca 0.37 -0.07 -0.11 0.00 -2.18 0.00 0.00 60.65 58.66 3ksy h LYS 899 Cb 0.26 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 3ksy h LYS 899 CO -0.21 0.41 -0.22 0.82 -1.08 0.00 0.00 179.45 179.18 3ksy h ILE 900 N 0.33 1.29 -0.05 1.86 2.04 -1.20 -1.21 117.51 120.56 3ksy h ILE 900 Ca 0.07 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.57 3ksy h ILE 900 Cb 0.30 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 3ksy h ILE 900 CO 0.01 0.45 -0.01 0.25 0.00 0.00 0.00 178.15 178.85 3ksy h LEU 901 N 0.56 0.10 -2.07 1.44 5.85 -0.49 -2.89 115.31 117.81 3ksy h LEU 901 Ca 0.07 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.43 3ksy h LEU 901 Cb 0.77 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 3ksy h LEU 901 CO 0.06 0.45 0.02 -0.33 -0.34 0.00 0.00 178.44 178.29 3ksy h GLU 902 N -0.26 0.00 -0.45 1.25 5.08 -0.68 -0.61 114.58 118.91 3ksy h GLU 902 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3ksy h GLU 902 Cb 0.40 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3ksy h GLU 902 CO 0.00 0.00 0.26 1.49 -1.00 0.00 0.00 179.01 179.77 3ksy h GLU 903 N 0.00 0.62 -0.13 2.33 4.57 -1.04 -2.86 114.58 118.07 3ksy h GLU 903 Ca 0.01 -0.06 -0.15 0.00 -1.18 0.00 0.00 59.36 57.98 3ksy h GLU 903 Cb 0.05 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 3ksy h GLU 903 CO -0.00 0.47 -0.57 0.00 -1.18 0.00 0.00 179.01 177.73 3ksy h ALA 904 N 1.11 0.79 -0.02 2.92 0.00 -0.96 -2.78 119.26 120.31 3ksy h ALA 904 Ca 0.16 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.56 3ksy h ALA 904 Cb 0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ksy h ALA 904 CO -0.03 0.70 0.06 0.45 0.00 0.00 0.00 179.25 180.43 3ksy h HIS 905 N 0.30 0.00 -0.00 0.00 3.86 -1.00 -0.91 115.15 117.39 3ksy h HIS 905 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3ksy h HIS 905 Cb 1.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.55 3ksy h HIS 905 CO 0.03 0.00 -0.33 0.39 0.86 0.00 0.00 177.93 178.88 3ksy n GLU 906 N -3.34 0.04 0.20 2.45 1.02 -1.05 -3.72 120.64 116.25 3ksy n GLU 906 Ca -0.02 -0.02 0.05 0.00 -0.02 0.00 0.00 57.16 57.14 3ksy n GLU 906 Cb 0.14 -1.50 0.40 0.00 -0.02 0.00 0.00 31.44 30.46 3ksy n GLU 906 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3ksy h LEU 907 N 0.05 0.00 0.06 -4.62 3.38 -1.25 -3.06 115.31 109.87 3ksy h LEU 907 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 3ksy h LEU 907 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3ksy h LEU 907 CO 0.00 0.35 -1.29 0.28 0.09 0.00 0.00 178.44 177.86 3ksy h SER 908 N 0.00 0.19 -3.83 -0.43 0.02 -1.72 -3.27 113.55 104.52 3ksy h SER 908 Ca -0.00 -0.24 -0.55 0.00 -0.84 0.00 0.00 61.79 60.15 3ksy h SER 908 Cb 0.70 -0.06 0.18 0.00 0.14 0.00 0.00 62.40 63.35 3ksy h SER 908 CO 0.05 1.19 0.16 -0.62 -1.14 0.00 0.00 176.83 176.47 3ksy n GLU 909 N -3.37 0.56 -3.79 3.45 1.02 -1.15 -1.49 120.64 115.87 3ksy n GLU 909 Ca -0.09 0.25 -0.26 0.00 -0.02 0.00 0.00 57.16 57.05 3ksy n GLU 909 Cb 1.00 -2.27 0.03 0.00 -0.02 0.00 0.00 31.44 30.19 3ksy n GLU 909 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3ksy n ASP 910 N -1.78 -3.26 -3.54 1.62 8.00 -1.26 -2.24 116.55 114.09 3ksy n ASP 910 Ca 0.13 -0.78 -0.19 0.00 0.71 0.00 0.00 54.79 54.66 3ksy n ASP 910 Cb 0.49 -4.08 0.07 0.00 -0.02 0.00 0.00 41.12 37.59 3ksy n ASP 910 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3ksy n HIS 911 N -4.52 -2.18 -3.22 1.24 8.25 -1.20 -2.15 115.22 111.44 3ksy n HIS 911 Ca -0.12 0.92 -0.23 0.00 -0.26 0.00 0.00 57.72 58.03 3ksy n HIS 911 Cb 0.60 -4.85 0.04 0.00 1.12 0.00 0.00 29.99 26.90 3ksy n HIS 911 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3ksy n TYR 912 N -4.27 -2.20 0.24 4.41 4.02 -0.56 -4.91 117.16 113.89 3ksy n TYR 912 Ca -0.25 0.66 -0.15 0.00 -0.01 0.00 0.00 57.90 58.14 3ksy n TYR 912 Cb 0.66 -4.53 -0.08 0.00 -0.02 0.00 0.00 39.34 35.36 3ksy n TYR 912 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 3ksy h LYS 913 N -1.72 -0.57 -0.94 -0.72 3.64 -1.04 -0.92 116.57 114.29 3ksy h LYS 913 Ca -0.54 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 58.94 3ksy h LYS 913 Cb 1.36 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 33.25 3ksy h LYS 913 CO 0.57 -0.30 0.61 -0.22 -2.27 0.00 0.00 179.45 177.85 3ksy h LYS 914 N -0.77 1.09 0.18 1.90 3.64 -1.77 -1.87 116.57 118.98 3ksy h LYS 914 Ca -0.06 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3ksy h LYS 914 Cb 0.54 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3ksy h LYS 914 CO 0.10 0.72 -0.09 -0.92 -2.27 0.00 0.00 179.45 176.99 3ksy h TYR 915 N 1.12 -0.23 -0.97 1.91 5.03 -1.59 -2.38 116.97 119.87 3ksy h TYR 915 Ca 0.39 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.75 3ksy h TYR 915 Cb 0.13 0.08 -0.06 0.00 1.55 0.00 0.00 36.73 38.42 3ksy h TYR 915 CO -0.00 0.04 0.62 1.25 -1.32 0.00 0.00 178.16 178.75 3ksy h LEU 916 N -0.49 1.02 -1.23 2.82 5.85 -0.86 0.32 115.31 122.73 3ksy h LEU 916 Ca -0.03 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 3ksy h LEU 916 Cb 0.37 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3ksy h LEU 916 CO 0.04 0.68 -0.17 0.00 -0.34 0.00 0.00 178.44 178.64 3ksy h ALA 917 N 1.42 1.36 -0.00 1.25 0.00 -1.34 -2.84 119.26 119.10 3ksy h ALA 917 Ca 0.40 -0.26 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 3ksy h ALA 917 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ksy h ALA 917 CO -0.15 0.43 -0.89 -0.22 0.00 0.00 0.00 179.25 178.43 3ksy h LYS 918 N 0.29 0.29 -0.07 0.00 3.64 -0.49 -3.25 116.57 116.98 3ksy h LYS 918 Ca 0.05 -0.31 -0.10 0.00 -1.27 0.00 0.00 60.65 59.03 3ksy h LYS 918 Cb 0.48 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 3ksy h LYS 918 CO 0.03 1.01 -0.42 1.25 -2.27 0.00 0.00 179.45 179.05 3ksy h LEU 919 N 0.17 0.17 -0.30 5.20 5.85 -0.82 -2.60 115.31 122.98 3ksy h LEU 919 Ca -0.06 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3ksy h LEU 919 Cb 1.51 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.49 3ksy h LEU 919 CO 0.14 0.57 0.00 0.54 -0.34 0.00 0.00 178.44 179.35 3ksy n ARG 920 N -4.03 0.17 -0.71 1.25 1.74 -1.09 -2.39 116.66 111.60 3ksy n ARG 920 Ca -0.02 0.28 0.05 0.00 -0.77 0.00 0.00 57.85 57.39 3ksy n ARG 920 Cb 0.47 -1.75 0.31 0.00 -1.02 0.00 0.00 32.46 30.47 3ksy n ARG 920 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3ksy n SER 921 N -2.05 4.54 -4.28 0.55 3.41 -0.98 -4.96 113.62 109.84 3ksy n SER 921 Ca 0.04 -3.08 -0.30 0.00 -0.26 0.00 0.00 58.87 55.26 3ksy n SER 921 Cb 0.30 -0.63 -0.16 0.00 -0.26 0.00 0.00 64.21 63.46 3ksy n SER 921 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3ksy s ILE 922 N -2.87 1.96 -0.14 -1.33 -1.09 -1.00 -5.08 121.20 111.64 3ksy s ILE 922 Ca 0.49 -1.05 -0.03 0.00 -2.23 0.00 0.00 60.65 57.83 3ksy s ILE 922 Cb 0.39 -1.64 -0.03 0.00 -1.58 0.00 0.00 42.46 39.60 3ksy s ILE 922 CO 0.11 0.55 -0.04 0.20 -1.23 0.00 0.00 174.94 174.54 3ksy s ASN 923 N -0.44 4.80 0.85 3.58 0.01 -1.26 -5.03 114.94 117.44 3ksy s ASN 923 Ca 0.05 -0.11 -0.15 0.00 -0.71 0.00 0.00 52.86 51.95 3ksy s ASN 923 Cb -0.11 -1.71 -0.03 0.00 0.41 0.00 0.00 41.25 39.81 3ksy s ASN 923 CO 0.00 0.20 0.21 -2.65 -1.51 0.00 0.00 177.10 173.36 3ksy n PRO 924 N 3.33 -0.01 -2.24 -0.60 -0.02 -1.26 -4.61 135.00 129.59 3ksy n PRO 924 Ca -0.17 0.03 -0.41 0.00 -2.02 0.00 0.00 63.50 60.93 3ksy n PRO 924 Cb 0.53 -1.65 -0.03 0.00 -0.02 0.00 0.00 33.50 32.33 3ksy n PRO 924 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ksy s PRO 925 N -2.89 4.45 -0.08 0.52 0.04 -1.26 -4.98 135.00 130.80 3ksy s PRO 925 Ca 0.57 2.07 -0.30 0.00 0.04 0.00 0.00 61.00 63.38 3ksy s PRO 925 Cb -0.27 -3.12 0.07 0.00 0.04 0.00 0.00 34.50 31.22 3ksy s PRO 925 CO 0.67 -0.07 0.68 0.00 0.04 0.00 0.00 177.00 178.32 3ksy s VAL 927 N -0.94 4.00 0.74 0.00 1.01 -0.53 -4.90 120.40 119.78 3ksy s VAL 927 Ca -0.09 -2.07 -0.15 0.00 0.00 0.00 0.00 61.98 59.66 3ksy s VAL 927 Cb -0.01 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.78 3ksy s VAL 927 CO 0.09 -0.79 1.22 -2.84 0.00 0.00 0.00 175.10 172.78 3ksy s PRO 928 N 1.02 2.06 -0.31 2.72 0.02 -1.26 -1.89 135.00 137.36 3ksy s PRO 928 Ca 0.09 1.81 -0.29 0.00 0.02 0.00 0.00 61.00 62.63 3ksy s PRO 928 Cb -0.24 -1.82 -0.00 0.00 0.02 0.00 0.00 34.50 32.46 3ksy s PRO 928 CO -0.02 -1.90 1.40 0.12 -0.33 0.00 0.00 177.00 176.26 3ksy s PHE 929 N -1.93 2.49 -0.21 6.54 5.36 -1.26 -4.40 117.98 124.58 3ksy s PHE 929 Ca 0.75 0.76 0.29 0.00 -0.96 0.00 0.00 56.93 57.77 3ksy s PHE 929 Cb -0.30 -4.01 1.03 0.00 -0.34 0.00 0.00 43.02 39.40 3ksy s PHE 929 CO 0.46 -2.05 1.83 0.35 -1.46 0.00 0.00 175.22 174.35 3ksy h PHE 930 N 9.95 0.00 -0.77 10.12 3.04 -1.98 -3.26 116.94 134.05 3ksy h PHE 930 Ca -0.28 0.00 0.06 0.00 3.98 0.00 0.00 57.97 61.73 3ksy h PHE 930 Cb 1.11 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 39.56 3ksy h PHE 930 CO 0.91 0.00 0.46 0.78 -2.02 0.00 0.00 178.31 178.43 3ksy h GLY 931 N 2.72 1.16 0.74 2.40 0.00 -2.01 -2.53 103.07 105.55 3ksy h GLY 931 Ca 0.00 -0.32 0.06 0.00 0.00 0.00 0.00 47.33 47.07 3ksy h GLY 931 CO 0.00 0.20 0.56 -2.22 0.00 0.00 0.00 176.54 175.08 3ksy h ILE 932 N 0.83 1.06 0.08 2.60 1.08 -1.99 -2.15 117.51 119.02 3ksy h ILE 932 Ca 0.34 -0.35 -0.00 0.00 -0.39 0.00 0.00 64.86 64.46 3ksy h ILE 932 Cb 0.20 -0.06 0.00 0.00 -3.07 0.00 0.00 36.82 33.89 3ksy h ILE 932 CO -0.18 0.19 -0.04 1.88 -0.69 0.00 0.00 178.15 179.30 3ksy h TYR 933 N 1.03 -0.10 -0.76 1.37 0.05 -1.67 -2.04 116.97 114.85 3ksy h TYR 933 Ca 0.38 -0.00 0.11 0.00 0.05 0.00 0.00 58.73 59.27 3ksy h TYR 933 Cb 0.15 0.03 -0.08 0.00 1.01 0.00 0.00 36.73 37.85 3ksy h TYR 933 CO -0.02 0.11 0.38 -0.07 -1.05 0.00 0.00 178.16 177.51 3ksy h LEU 934 N -0.31 0.48 -0.16 3.88 3.38 -1.39 0.36 115.31 121.57 3ksy h LEU 934 Ca -0.01 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3ksy h LEU 934 Cb 0.26 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3ksy h LEU 934 CO 0.02 0.25 0.09 0.74 0.09 0.00 0.00 178.44 179.63 3ksy h THR 935 N 0.61 1.10 0.06 0.22 2.02 -1.23 -2.20 112.91 113.49 3ksy h THR 935 Ca 0.39 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 67.29 3ksy h THR 935 Cb 0.46 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 3ksy h THR 935 CO -0.30 0.09 -0.03 0.78 0.37 0.00 0.00 175.52 176.43 3ksy h ASN 936 N 0.16 -0.07 -0.78 4.18 2.35 -0.81 -2.58 115.58 118.02 3ksy h ASN 936 Ca 0.06 -0.17 0.18 0.00 -0.55 0.00 0.00 56.30 55.82 3ksy h ASN 936 Cb 0.07 0.02 -0.12 0.00 0.05 0.00 0.00 38.32 38.34 3ksy h ASN 936 CO -0.01 0.13 0.23 0.40 -1.65 0.00 0.00 177.43 176.53 3ksy h ILE 937 N -0.26 0.49 0.26 2.81 2.04 -0.90 -0.55 117.51 121.40 3ksy h ILE 937 Ca -0.01 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3ksy h ILE 937 Cb 0.23 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3ksy h ILE 937 CO 0.01 0.05 -0.14 -0.07 0.00 0.00 0.00 178.15 178.00 3ksy h LEU 938 N 0.30 -0.35 -2.01 1.44 3.38 -1.29 -1.84 115.31 114.93 3ksy h LEU 938 Ca 0.45 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.59 3ksy h LEU 938 Cb 0.80 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3ksy h LEU 938 CO -0.52 -0.24 0.41 0.11 0.09 0.00 0.00 178.44 178.29 3ksy h LYS 939 N -0.38 0.00 0.03 1.13 1.57 -0.75 0.04 116.57 118.22 3ksy h LYS 939 Ca -0.03 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 3ksy h LYS 939 Cb 0.31 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.63 3ksy h LYS 939 CO 0.04 0.00 -0.43 1.15 -0.57 0.00 0.00 179.45 179.64 3ksy h THR 940 N 0.00 1.55 0.00 -0.16 2.02 -0.76 -1.66 112.91 113.90 3ksy h THR 940 Ca 0.25 -2.18 0.00 0.00 0.77 0.00 0.00 66.41 65.25 3ksy h THR 940 Cb 1.06 2.93 0.00 0.00 -1.74 0.00 0.00 68.15 70.40 3ksy h THR 940 CO -0.00 0.61 0.00 -1.84 0.37 0.00 0.00 175.52 174.65 3ksy n GLU 941 N -4.36 0.05 -0.01 6.66 0.28 -0.71 -2.52 120.64 120.03 3ksy n GLU 941 Ca -0.11 0.03 0.09 0.00 -0.16 0.00 0.00 57.16 57.01 3ksy n GLU 941 Cb 0.62 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.85 3ksy n GLU 941 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3ksy n GLU 942 N -1.47 0.57 0.00 3.44 1.02 -0.08 -4.36 120.64 119.76 3ksy n GLU 942 Ca 0.07 -0.15 0.12 0.00 -0.02 0.00 0.00 57.16 57.18 3ksy n GLU 942 Cb 0.31 -1.42 0.25 0.00 -0.02 0.00 0.00 31.44 30.56 3ksy n GLU 942 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ksy n GLY 943 N 1.49 -0.97 2.94 0.62 0.00 -0.62 -4.86 105.19 103.79 3ksy n GLY 943 Ca -0.03 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 3ksy n GLY 943 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ksy s ASN 944 N -2.82 1.50 0.24 1.61 0.01 -1.05 -5.05 114.94 109.38 3ksy s ASN 944 Ca 0.15 -0.22 -0.31 0.00 -0.71 0.00 0.00 52.86 51.77 3ksy s ASN 944 Cb 0.18 -0.66 -0.13 0.00 0.41 0.00 0.00 41.25 41.05 3ksy s ASN 944 CO 0.65 -0.03 1.57 -2.65 -1.51 0.00 0.00 177.10 175.13 3ksy n PRO 945 N 4.14 2.45 0.28 -0.60 -0.02 -1.26 -4.80 135.00 135.19 3ksy n PRO 945 Ca -0.21 0.88 0.14 0.00 -2.02 0.00 0.00 63.50 62.28 3ksy n PRO 945 Cb 0.51 -2.64 0.81 0.00 -0.02 0.00 0.00 33.50 32.16 3ksy n PRO 945 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3ksy h GLU 946 N 5.21 0.00 -4.45 -0.52 4.11 -1.93 -3.44 114.58 113.56 3ksy h GLU 946 Ca -0.45 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 58.80 3ksy h GLU 946 Cb 1.24 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.33 3ksy h GLU 946 CO 0.83 0.07 -0.69 0.14 0.07 0.00 0.00 179.01 179.43 3ksy s VAL 947 N -4.39 0.46 -0.12 -1.06 -7.23 -1.26 -2.10 120.40 104.70 3ksy s VAL 947 Ca -0.04 -1.79 0.03 0.00 -1.81 0.00 0.00 61.98 58.37 3ksy s VAL 947 Cb 0.14 -1.49 0.00 0.00 0.56 0.00 0.00 36.38 35.59 3ksy s VAL 947 CO 0.57 -0.88 -0.22 -0.76 -0.31 0.00 0.00 175.10 173.50 3ksy s LEU 948 N -2.84 2.16 -0.19 1.32 1.43 0.19 -4.81 118.68 115.94 3ksy s LEU 948 Ca 0.07 -0.56 -0.22 0.00 -1.03 0.00 0.00 54.13 52.39 3ksy s LEU 948 Cb 0.05 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.80 3ksy s LEU 948 CO -0.06 0.12 0.71 -0.54 0.23 0.00 0.00 176.35 176.80 3ksy s LYS 949 N 0.58 4.24 -0.12 1.70 -0.14 -1.26 -1.36 119.74 123.38 3ksy s LYS 949 Ca -0.12 0.77 -0.02 0.00 -1.36 0.00 0.00 55.97 55.23 3ksy s LYS 949 Cb -0.17 -3.58 0.04 0.00 -1.68 0.00 0.00 37.83 32.45 3ksy s LYS 949 CO 0.03 -0.27 0.02 1.03 -0.76 0.00 0.00 175.35 175.40 3ksy s ARG 950 N 2.00 0.63 -1.49 1.68 1.81 -0.75 -4.84 118.95 117.99 3ksy s ARG 950 Ca 0.32 -0.11 -0.10 0.00 -1.72 0.00 0.00 55.73 54.12 3ksy s ARG 950 Cb -0.16 -1.47 0.07 0.00 -0.45 0.00 0.00 34.95 32.94 3ksy s ARG 950 CO 0.11 -0.45 0.86 0.72 -0.68 0.00 0.00 175.30 175.87 3ksy n HIS 951 N 5.11 -2.12 0.00 -0.53 8.25 -1.26 -0.90 115.22 123.77 3ksy n HIS 951 Ca -0.08 0.87 0.00 0.00 -0.26 0.00 0.00 57.72 58.25 3ksy n HIS 951 Cb 0.49 -3.96 0.00 0.00 1.12 0.00 0.00 29.99 27.63 3ksy n HIS 951 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ksy n GLY 952 N -1.67 2.94 3.91 -1.41 0.00 -1.26 -5.00 105.19 102.71 3ksy n GLY 952 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 3ksy n GLY 952 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ksy s LYS 953 N -0.03 2.68 -0.25 1.61 -0.14 -0.08 -5.07 119.74 118.46 3ksy s LYS 953 Ca 0.00 0.06 0.02 0.00 -1.36 0.00 0.00 55.97 54.69 3ksy s LYS 953 Cb 0.00 -2.17 0.06 0.00 -1.68 0.00 0.00 37.83 34.04 3ksy s LYS 953 CO 0.00 -0.96 -0.09 -2.00 -0.76 0.00 0.00 175.35 171.54 3ksy s GLU 954 N -5.18 2.00 -0.18 1.68 2.12 -1.26 -1.82 118.70 116.06 3ksy s GLU 954 Ca 0.57 -1.18 -0.09 0.00 0.36 0.00 0.00 54.97 54.63 3ksy s GLU 954 Cb -0.11 -2.74 -0.05 0.00 0.26 0.00 0.00 34.13 31.49 3ksy s GLU 954 CO 0.47 -0.57 0.11 -0.51 -0.54 0.00 0.00 175.26 174.22 3ksy s LEU 955 N 1.23 4.13 -0.43 2.70 2.01 -0.46 -4.71 118.68 123.14 3ksy s LEU 955 Ca -0.07 0.22 -0.27 0.00 0.01 0.00 0.00 54.13 54.02 3ksy s LEU 955 Cb -0.19 -2.05 -0.03 0.00 0.01 0.00 0.00 46.19 43.92 3ksy s LEU 955 CO -0.06 0.21 2.00 -0.63 1.01 0.00 0.00 176.35 178.88 3ksy s ILE 956 N 0.16 3.28 -0.37 -0.59 -1.09 -1.09 -0.64 121.20 120.86 3ksy s ILE 956 Ca 0.08 0.24 -0.27 0.00 -2.23 0.00 0.00 60.65 58.47 3ksy s ILE 956 Cb -0.11 -3.52 -0.06 0.00 -1.58 0.00 0.00 42.46 37.19 3ksy s ILE 956 CO -0.01 -0.42 2.31 0.21 -1.23 0.00 0.00 174.94 175.80 3ksy s ASN 957 N 8.24 4.91 0.19 3.58 2.47 -0.89 -2.77 114.94 130.67 3ksy s ASN 957 Ca 0.83 1.42 0.24 0.00 0.42 0.00 0.00 52.86 55.77 3ksy s ASN 957 Cb -0.20 -2.51 0.41 0.00 -1.45 0.00 0.00 41.25 37.51 3ksy s ASN 957 CO 0.28 -2.46 1.43 0.15 -3.72 0.00 0.00 177.10 172.79 3ksy h PHE 958 N 17.46 0.00 -0.84 0.43 3.57 -0.54 -3.32 116.94 133.71 3ksy h PHE 958 Ca -0.32 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.28 3ksy h PHE 958 Cb 1.25 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.92 3ksy h PHE 958 CO 0.95 0.00 0.48 0.77 -2.23 0.00 0.00 178.31 178.28 3ksy h SER 959 N 0.00 0.69 -0.32 0.41 0.02 -1.52 -1.21 113.55 111.62 3ksy h SER 959 Ca 0.00 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3ksy h SER 959 Cb 0.81 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 3ksy h SER 959 CO 0.00 0.39 0.21 0.11 -1.14 0.00 0.00 176.83 176.39 3ksy h LYS 960 N 0.80 0.41 -0.75 3.45 1.57 -1.88 -1.23 116.57 118.94 3ksy h LYS 960 Ca 0.40 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.25 3ksy h LYS 960 Cb 0.37 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.52 3ksy h LYS 960 CO -0.25 0.27 0.40 0.00 -0.57 0.00 0.00 179.45 179.30 3ksy h ARG 961 N 0.42 0.65 0.04 3.15 2.47 -1.42 0.51 114.38 120.19 3ksy h ARG 961 Ca 0.12 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.80 3ksy h ARG 961 Cb -0.04 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.14 3ksy h ARG 961 CO -0.03 0.43 -0.02 0.00 0.56 0.00 0.00 179.97 180.91 3ksy h ARG 962 N 0.67 -0.05 -0.98 0.04 3.08 -1.14 -1.96 114.38 114.03 3ksy h ARG 962 Ca 0.37 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.55 3ksy h ARG 962 Cb 0.38 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.35 3ksy h ARG 962 CO -0.26 0.34 0.61 0.87 -1.07 0.00 0.00 179.97 180.45 3ksy h LYS 963 N -0.45 0.91 -0.39 0.04 1.57 -0.67 0.21 116.57 117.79 3ksy h LYS 963 Ca -0.01 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 3ksy h LYS 963 Cb 0.41 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3ksy h LYS 963 CO 0.01 0.60 -0.06 0.28 -0.57 0.00 0.00 179.45 179.71 3ksy h VAL 964 N 0.94 1.27 -0.63 0.50 2.07 -0.91 -2.92 116.25 116.56 3ksy h VAL 964 Ca 0.50 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 3ksy h VAL 964 Cb 0.53 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 3ksy h VAL 964 CO -0.28 0.38 0.36 0.00 0.02 0.00 0.00 177.57 178.04 3ksy h ALA 965 N 0.85 1.44 -0.89 1.67 0.00 -0.23 -1.22 119.26 120.89 3ksy h ALA 965 Ca 0.10 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3ksy h ALA 965 Cb 0.57 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 3ksy h ALA 965 CO 0.03 0.47 0.55 0.93 0.00 0.00 0.00 179.25 181.23 3ksy h GLU 966 N 0.88 0.93 -0.20 0.00 4.39 -0.50 -0.37 114.58 119.71 3ksy h GLU 966 Ca 0.23 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.77 3ksy h GLU 966 Cb 0.00 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.44 3ksy h GLU 966 CO -0.04 0.62 -0.28 0.82 -1.16 0.00 0.00 179.01 178.97 3ksy h ILE 967 N 0.96 1.33 0.00 3.13 2.04 -1.20 -2.94 117.51 120.83 3ksy h ILE 967 Ca 0.40 -1.49 -0.00 0.00 1.00 0.00 0.00 64.86 64.77 3ksy h ILE 967 Cb 0.25 1.82 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3ksy h ILE 967 CO -0.20 0.46 -0.02 0.71 0.00 0.00 0.00 178.15 179.10 3ksy h THR 968 N 0.21 0.39 -0.45 -0.27 1.35 -0.75 -1.64 112.91 111.74 3ksy h THR 968 Ca 0.02 -0.11 -0.03 0.00 -0.55 0.00 0.00 66.41 65.74 3ksy h THR 968 Cb 0.86 1.08 -0.02 0.00 -1.73 0.00 0.00 68.15 68.33 3ksy h THR 968 CO 0.07 0.02 0.15 1.23 -0.25 0.00 0.00 175.52 176.74 3ksy h GLY 969 N 0.21 0.75 2.00 5.82 0.00 -0.89 -2.11 103.07 108.85 3ksy h GLY 969 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3ksy h GLY 969 CO 0.00 0.41 0.00 0.83 0.00 0.00 0.00 176.54 177.78 3ksy h GLU 970 N 0.59 0.00 0.11 4.80 5.08 -1.32 -1.79 114.58 122.05 3ksy h GLU 970 Ca 0.15 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.25 3ksy h GLU 970 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3ksy h GLU 970 CO -0.01 0.00 -1.30 0.82 -1.00 0.00 0.00 179.01 177.52 3ksy h ILE 971 N 0.00 1.11 0.00 3.13 2.04 -1.41 -3.35 117.51 119.03 3ksy h ILE 971 Ca 0.00 -2.41 -0.08 0.00 1.00 0.00 0.00 64.86 63.37 3ksy h ILE 971 Cb 0.05 2.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 3ksy h ILE 971 CO 0.00 0.69 -0.37 1.56 0.00 0.00 0.00 178.15 180.04 3ksy h GLN 972 N -0.34 0.00 -0.99 2.37 4.20 -1.12 -2.94 115.11 116.28 3ksy h GLN 972 Ca -0.28 0.00 0.29 0.00 0.06 0.00 0.00 58.65 58.72 3ksy h GLN 972 Cb 1.72 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.46 3ksy h GLN 972 CO 0.07 0.37 0.76 0.37 -0.67 0.00 0.00 178.83 179.72 3ksy h GLN 973 N 0.00 0.00 -0.02 1.46 4.15 -1.48 -0.35 115.11 118.87 3ksy h GLN 973 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3ksy h GLN 973 Cb 0.68 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.37 3ksy h GLN 973 CO 0.05 0.00 -0.11 0.66 -1.93 0.00 0.00 178.83 177.50 3ksy n TYR 974 N -4.09 0.00 1.19 3.99 4.01 -1.11 -4.36 117.16 116.80 3ksy n TYR 974 Ca 0.21 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 58.08 3ksy n TYR 974 Cb 1.10 0.00 0.49 0.00 -0.31 0.00 0.00 39.34 40.62 3ksy n TYR 974 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3ksy n GLN 975 N 0.45 0.36 0.06 -0.72 6.02 -0.14 -4.45 117.38 118.96 3ksy n GLN 975 Ca 0.07 -0.15 -0.03 0.00 -0.01 0.00 0.00 57.00 56.89 3ksy n GLN 975 Cb 0.34 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.09 3ksy n GLN 975 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 3ksy h ASN 976 N 0.35 -0.14 -3.55 1.08 2.35 -1.76 -3.44 115.58 110.49 3ksy h ASN 976 Ca 0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.14 3ksy h ASN 976 Cb 0.44 0.04 -0.13 0.00 0.05 0.00 0.00 38.32 38.72 3ksy h ASN 976 CO 0.00 -0.09 -0.27 -1.58 -1.65 0.00 0.00 177.43 173.84 3ksy s GLN 977 N -3.18 4.12 0.78 0.81 2.00 -1.26 -5.08 119.66 117.85 3ksy s GLN 977 Ca -0.02 0.07 -0.12 0.00 -2.00 0.00 0.00 55.36 53.29 3ksy s GLN 977 Cb 0.00 -3.56 0.06 0.00 0.80 0.00 0.00 33.01 30.31 3ksy s GLN 977 CO 0.07 -0.06 1.15 -2.14 -0.50 0.00 0.00 175.29 173.80 3ksy s PRO 978 N 1.40 2.22 0.64 1.67 0.02 -1.26 -4.04 135.00 135.65 3ksy s PRO 978 Ca 0.16 0.27 -0.14 0.00 0.02 0.00 0.00 61.00 61.31 3ksy s PRO 978 Cb -0.15 -1.97 -0.02 0.00 0.02 0.00 0.00 34.50 32.39 3ksy s PRO 978 CO 0.08 -1.44 1.06 0.71 -0.33 0.00 0.00 177.00 177.07 3ksy s TYR 979 N -3.47 3.02 -1.09 6.54 1.51 -1.26 -4.53 117.35 118.07 3ksy s TYR 979 Ca 0.61 1.48 -0.05 0.00 -1.01 0.00 0.00 57.07 58.09 3ksy s TYR 979 Cb -0.11 -2.96 0.30 0.00 -0.11 0.00 0.00 41.96 39.08 3ksy s TYR 979 CO 0.50 -1.18 1.40 0.00 -1.11 0.00 0.00 175.55 175.17 3ksy s LEU 981 N -2.43 2.12 -0.21 0.00 1.43 -1.26 -4.41 118.68 113.92 3ksy s LEU 981 Ca 0.31 -0.27 -0.26 0.00 -1.03 0.00 0.00 54.13 52.88 3ksy s LEU 981 Cb 0.01 -0.05 -0.01 0.00 0.03 0.00 0.00 46.19 46.18 3ksy s LEU 981 CO 0.06 -0.12 0.87 -0.60 0.23 0.00 0.00 176.35 176.80 3ksy s ARG 982 N -0.76 4.24 0.21 1.70 3.52 -1.26 -5.01 118.95 121.58 3ksy s ARG 982 Ca -0.06 1.05 -0.30 0.00 -0.13 0.00 0.00 55.73 56.28 3ksy s ARG 982 Cb -0.05 -3.62 -0.09 0.00 -1.56 0.00 0.00 34.95 29.62 3ksy s ARG 982 CO -0.00 -0.47 1.41 0.08 -0.81 0.00 0.00 175.30 175.50 3ksy s VAL 983 N 2.66 2.89 -0.26 7.11 1.01 -1.26 -4.99 120.40 127.57 3ksy s VAL 983 Ca 0.38 0.72 -0.05 0.00 0.00 0.00 0.00 61.98 63.03 3ksy s VAL 983 Cb -0.16 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.76 3ksy s VAL 983 CO 0.09 0.10 0.02 -0.70 0.00 0.00 0.00 175.10 174.60 3ksy s GLU 984 N 0.03 3.22 0.09 2.72 -6.30 -1.26 -5.03 118.70 112.17 3ksy s GLU 984 Ca 0.60 -0.75 -0.29 0.00 -2.50 0.00 0.00 54.97 52.03 3ksy s GLU 984 Cb -0.40 -3.18 -0.12 0.00 0.00 0.00 0.00 34.13 30.42 3ksy s GLU 984 CO 0.39 -0.32 1.47 0.66 0.02 0.00 0.00 175.26 177.48 3ksy h SER 985 N 8.16 -1.34 -0.38 -1.70 4.64 -1.99 -0.75 113.55 120.19 3ksy h SER 985 Ca -0.36 0.14 0.08 0.00 -0.47 0.00 0.00 61.79 61.18 3ksy h SER 985 Cb 1.14 0.49 -0.08 0.00 -0.31 0.00 0.00 62.40 63.64 3ksy h SER 985 CO 0.59 -0.48 -0.18 0.44 -0.87 0.00 0.00 176.83 176.34 3ksy h ASP 986 N -0.65 -0.60 -0.35 4.97 3.32 -1.99 -0.35 116.42 120.77 3ksy h ASP 986 Ca -0.01 0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 3ksy h ASP 986 Cb 0.65 0.33 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 3ksy h ASP 986 CO -0.23 -0.21 -0.02 0.40 -1.72 0.00 0.00 179.24 177.46 3ksy h ILE 987 N -0.10 1.26 -0.56 0.35 2.04 -1.96 -0.33 117.51 118.21 3ksy h ILE 987 Ca 0.19 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 65.07 3ksy h ILE 987 Cb 0.40 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 3ksy h ILE 987 CO -0.45 0.34 0.31 0.50 0.00 0.00 0.00 178.15 178.84 3ksy h LYS 988 N 0.44 0.57 -0.39 2.37 3.64 -0.84 -2.42 116.57 119.96 3ksy h LYS 988 Ca 0.10 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3ksy h LYS 988 Cb 0.49 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3ksy h LYS 988 CO 0.02 0.38 0.16 -0.09 -2.27 0.00 0.00 179.45 177.65 3ksy h ARG 989 N 0.59 0.58 -0.79 1.90 2.43 -0.83 -2.33 114.38 115.94 3ksy h ARG 989 Ca 0.24 -0.11 0.17 0.00 -0.81 0.00 0.00 59.98 59.47 3ksy h ARG 989 Cb 0.12 -0.09 -0.11 0.00 -0.42 0.00 0.00 29.97 29.47 3ksy h ARG 989 CO -0.15 0.55 0.29 0.35 -1.51 0.00 0.00 179.97 179.50 3ksy h PHE 990 N 0.48 0.47 0.00 2.20 3.57 -0.58 0.36 116.94 123.45 3ksy h PHE 990 Ca 0.13 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3ksy h PHE 990 Cb 0.19 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.84 3ksy h PHE 990 CO -0.00 -0.01 -0.19 0.74 -2.23 0.00 0.00 178.31 176.62 3ksy h PHE 991 N 0.38 0.00 0.00 0.41 0.04 -1.33 -3.01 116.94 113.43 3ksy h PHE 991 Ca 0.45 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.17 3ksy h PHE 991 Cb 0.76 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.90 3ksy h PHE 991 CO -0.19 0.00 -0.24 0.93 -0.60 0.00 0.00 178.31 178.21 3ksy h GLU 992 N 0.00 0.00 -0.69 1.51 5.08 -0.43 -3.23 114.58 116.81 3ksy h GLU 992 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ksy h GLU 992 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3ksy h GLU 992 CO 0.00 0.24 0.00 0.09 -1.00 0.00 0.00 179.01 178.34 3ksy n ASN 993 N -3.18 4.06 -4.64 1.42 3.02 -0.29 -4.96 115.26 110.69 3ksy n ASN 993 Ca 0.03 -2.09 -0.43 0.00 -0.03 0.00 0.00 54.58 52.06 3ksy n ASN 993 Cb 0.60 -0.49 -0.03 0.00 -0.61 0.00 0.00 39.78 39.25 3ksy n ASN 993 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ksy n LEU 994 N 1.47 3.83 -3.25 3.41 4.77 -1.18 -4.91 117.00 121.14 3ksy n LEU 994 Ca 0.24 0.66 -0.25 0.00 -0.03 0.00 0.00 56.01 56.63 3ksy n LEU 994 Cb 0.67 -1.53 -0.07 0.00 -2.33 0.00 0.00 43.42 40.15 3ksy n LEU 994 CO 0.18 -0.12 -0.17 -3.20 -1.33 0.00 0.00 177.39 172.75 3ksy n ASN 995 N 8.99 1.43 -0.06 -1.43 5.15 -1.26 -4.96 115.26 123.11 3ksy n ASN 995 Ca 0.24 -2.97 -0.07 0.00 -0.60 0.00 0.00 54.58 51.18 3ksy n ASN 995 Cb 0.42 -0.65 -0.01 0.00 -0.53 0.00 0.00 39.78 39.01 3ksy n ASN 995 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3ksy h PRO 996 N 3.97 0.03 0.00 1.20 0.11 -1.91 0.14 132.00 135.53 3ksy h PRO 996 Ca 0.11 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3ksy h PRO 996 Cb 0.81 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3ksy h PRO 996 CO 0.59 0.02 0.00 -1.33 -0.21 0.00 0.00 178.00 177.07 3ksy n MET 997 N -5.20 0.12 0.00 1.05 2.81 -1.26 -4.92 117.12 109.72 3ksy n MET 997 Ca -0.01 0.46 0.00 0.00 -1.81 0.00 0.00 57.70 56.34 3ksy n MET 997 Cb 0.15 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 30.88 3ksy n MET 997 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ksy n GLY 998 N -0.51 3.25 0.63 3.03 0.00 0.03 -0.84 105.19 110.79 3ksy n GLY 998 Ca 0.01 0.26 0.08 0.00 0.00 0.00 0.00 46.02 46.37 3ksy n GLY 998 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ksy n ASN 999 N 9.66 3.35 -3.48 1.61 0.23 -1.26 -5.01 115.26 120.36 3ksy n ASN 999 Ca 0.00 -2.92 -0.18 0.00 -0.53 0.00 0.00 54.58 50.95 3ksy n ASN 999 Cb 0.00 -0.47 0.11 0.00 -2.08 0.00 0.00 39.78 37.34 3ksy n ASN 999 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3ksy n SER 1000N -0.67 0.48 -4.83 0.53 7.64 -0.02 -5.11 113.62 111.64 3ksy n SER 1000Ca 0.18 -1.54 -0.22 0.00 1.01 0.00 0.00 58.87 58.31 3ksy n SER 1000Cb 0.77 -0.56 -0.04 0.00 -1.01 0.00 0.00 64.21 63.37 3ksy n SER 1000CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3ksy s MET 1001N -4.58 2.52 0.11 1.43 -1.94 -1.26 -4.95 119.30 110.63 3ksy s MET 1001Ca 0.47 -1.50 -0.30 0.00 -1.71 0.00 0.00 55.69 52.65 3ksy s MET 1001Cb -0.02 -2.32 -0.10 0.00 2.01 0.00 0.00 34.83 34.40 3ksy s MET 1001CO 0.32 -0.04 1.60 1.49 -0.01 0.00 0.00 175.02 178.38 3ksy h GLU 1002N 1.24 -0.61 0.47 2.03 4.57 -1.99 -1.02 114.58 119.27 3ksy h GLU 1002Ca -0.43 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.78 3ksy h GLU 1002Cb 1.26 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.98 3ksy h GLU 1002CO 0.60 -0.41 -0.33 -0.22 -1.18 0.00 0.00 179.01 177.47 3ksy h LYS 1003N -0.64 -0.75 -0.15 1.92 3.11 -1.99 -1.79 116.57 116.28 3ksy h LYS 1003Ca 0.02 0.05 0.05 0.00 -2.81 0.00 0.00 60.65 57.96 3ksy h LYS 1003Cb 0.66 0.17 -0.06 0.00 -1.00 0.00 0.00 32.23 32.00 3ksy h LYS 1003CO -0.21 -0.50 -0.21 1.49 -2.81 0.00 0.00 179.45 177.20 3ksy h GLU 1004N -0.78 -0.25 -0.57 1.90 4.81 -1.95 -1.60 114.58 116.14 3ksy h GLU 1004Ca -0.05 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3ksy h GLU 1004Cb 0.65 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 3ksy h GLU 1004CO 0.03 -0.17 0.22 0.35 -0.73 0.00 0.00 179.01 178.71 3ksy h PHE 1005N -0.26 0.84 -0.46 0.92 3.57 -1.14 -1.94 116.94 118.48 3ksy h PHE 1005Ca 0.11 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 3ksy h PHE 1005Cb 0.42 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3ksy h PHE 1005CO -0.33 0.65 0.02 1.15 -2.23 0.00 0.00 178.31 177.58 3ksy h THR 1006N 0.82 1.26 -0.11 4.41 2.02 -0.81 -2.02 112.91 118.47 3ksy h THR 1006Ca 0.19 -1.01 0.02 0.00 0.77 0.00 0.00 66.41 66.38 3ksy h THR 1006Cb 0.17 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 3ksy h THR 1006CO -0.02 0.35 0.01 0.44 0.37 0.00 0.00 175.52 176.67 3ksy h ASP 1007N 0.64 -0.02 -0.78 4.18 3.32 -0.95 -2.31 116.42 120.50 3ksy h ASP 1007Ca 0.13 0.02 0.16 0.00 0.02 0.00 0.00 57.03 57.36 3ksy h ASP 1007Cb 0.46 0.03 -0.10 0.00 0.22 0.00 0.00 39.33 39.95 3ksy h ASP 1007CO 0.02 0.00 0.29 0.22 -1.72 0.00 0.00 179.24 178.05 3ksy h TYR 1008N 0.05 0.49 -0.22 4.55 3.20 -1.19 0.22 116.97 124.08 3ksy h TYR 1008Ca 0.05 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.97 3ksy h TYR 1008Cb 0.05 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3ksy h TYR 1008CO -0.13 0.02 0.11 -0.07 -1.64 0.00 0.00 178.16 176.46 3ksy h LEU 1009N 0.40 0.18 -1.08 2.82 3.38 -0.92 0.50 115.31 120.60 3ksy h LEU 1009Ca 0.44 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.33 3ksy h LEU 1009Cb 0.71 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3ksy h LEU 1009CO -0.45 0.14 -0.19 0.15 0.09 0.00 0.00 178.44 178.17 3ksy h PHE 1010N 0.24 0.46 -0.38 1.13 3.57 -0.71 -1.09 116.94 120.16 3ksy h PHE 1010Ca 0.09 -0.08 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 3ksy h PHE 1010Cb 0.01 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3ksy h PHE 1010CO -0.09 0.60 -0.21 -0.91 -2.23 0.00 0.00 178.31 175.47 3ksy h ASN 1011N 0.38 0.75 0.62 0.41 2.35 -0.16 -2.07 115.58 117.86 3ksy h ASN 1011Ca 0.07 -0.26 -0.08 0.00 -0.55 0.00 0.00 56.30 55.47 3ksy h ASN 1011Cb 0.56 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 3ksy h ASN 1011CO 0.04 0.95 -0.39 0.11 -1.65 0.00 0.00 177.43 176.49 3ksy h LYS 1012N 0.65 0.00 -0.09 0.81 1.79 -0.35 -2.14 116.57 117.24 3ksy h LYS 1012Ca 0.09 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.40 3ksy h LYS 1012Cb 0.71 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.35 3ksy h LYS 1012CO 0.05 0.39 -0.63 1.03 -1.08 0.00 0.00 179.45 179.21 3ksy h SER 1013N 0.00 0.38 1.12 0.86 0.87 -0.89 -0.15 113.55 115.74 3ksy h SER 1013Ca -0.00 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 3ksy h SER 1013Cb 0.80 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 3ksy h SER 1013CO 0.05 0.92 0.00 0.18 -0.53 0.00 0.00 176.83 177.45 3ksy n LEU 1014N -3.87 0.42 -0.10 2.23 4.77 -0.81 -1.78 117.00 117.86 3ksy n LEU 1014Ca -0.03 0.55 -0.23 0.00 -0.03 0.00 0.00 56.01 56.27 3ksy n LEU 1014Cb 0.64 -0.43 -0.12 0.00 -2.33 0.00 0.00 43.42 41.18 3ksy n LEU 1014CO 0.46 -0.17 -0.67 1.21 -1.33 0.00 0.00 177.39 176.89 3ksy n GLU 1015N -1.91 0.59 0.18 3.23 2.13 -0.84 -3.57 120.64 120.46 3ksy n GLU 1015Ca 0.05 0.51 0.03 0.00 0.66 0.00 0.00 57.16 58.41 3ksy n GLU 1015Cb 0.35 -1.71 0.33 0.00 0.27 0.00 0.00 31.44 30.67 3ksy n GLU 1015CO 0.00 0.00 0.00 -0.84 -0.41 0.00 0.00 177.13 175.88 3ksy h ILE 1016N -0.89 1.15 -2.27 6.31 3.07 -1.08 -3.38 117.51 120.42 3ksy h ILE 1016Ca -0.40 -1.54 -0.47 0.00 1.55 0.00 0.00 64.86 64.00 3ksy h ILE 1016Cb 1.42 1.86 -0.35 0.00 -0.27 0.00 0.00 36.82 39.48 3ksy h ILE 1016CO -0.21 0.42 -0.76 -1.61 -1.05 0.00 0.00 178.15 174.94 3ksy s GLU 1017N -3.85 0.57 1.25 0.16 2.02 -0.73 -4.81 118.70 113.30 3ksy s GLU 1017Ca -0.02 -1.03 -0.21 0.00 0.02 0.00 0.00 54.97 53.74 3ksy s GLU 1017Cb 0.13 -0.99 0.32 0.00 0.10 0.00 0.00 34.13 33.69 3ksy s GLU 1017CO 0.71 -1.19 0.80 -2.30 0.02 0.00 0.00 175.26 173.31 3ksy n PRO 1018N 4.24 -4.20 -1.14 0.39 -0.02 -1.23 -4.40 135.00 128.64 3ksy n PRO 1018Ca 0.10 -1.33 -0.30 0.00 -2.02 0.00 0.00 63.50 59.95 3ksy n PRO 1018Cb 0.41 -1.62 0.23 0.00 -0.02 0.00 0.00 33.50 32.51 3ksy n PRO 1018CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3ksy s ARG 1019N -4.90 -1.07 0.09 -0.52 0.52 -1.26 -4.92 118.95 106.90 3ksy s ARG 1019Ca 0.59 -0.07 -0.27 0.00 -0.52 0.00 0.00 55.73 55.46 3ksy s ARG 1019Cb -0.09 -1.62 -0.13 0.00 0.52 0.00 0.00 34.95 33.63 3ksy s ARG 1019CO 0.49 -3.61 1.67 -0.97 0.02 0.00 0.00 175.30 172.90 3ksy h ASN 1020N -2.51 -0.51 -0.95 0.23 -1.24 -1.99 -2.86 115.58 105.75 3ksy h ASN 1020Ca -0.45 0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.60 3ksy h ASN 1020Cb 1.29 0.17 -0.05 0.00 0.73 0.00 0.00 38.32 40.46 3ksy h ASN 1020CO 0.35 -0.30 0.60 -0.65 -1.29 0.00 0.00 177.43 176.15 3ksy h PRO 1021N -0.44 1.28 -6.64 6.67 0.11 -2.05 -3.42 132.00 127.49 3ksy h PRO 1021Ca -0.01 -0.10 -0.53 0.00 0.11 0.00 0.00 66.00 65.48 3ksy h PRO 1021Cb 0.40 -0.28 0.03 0.00 0.11 0.00 0.00 31.00 31.26 3ksy h PRO 1021CO -0.02 0.87 0.66 0.15 -0.21 0.00 0.00 178.00 179.45 3ksy s LYS 1022N -6.04 4.38 0.78 1.05 1.02 -1.08 -5.00 119.74 114.84 3ksy s LYS 1022Ca -0.13 2.05 -0.13 0.00 0.02 0.00 0.00 55.97 57.78 3ksy s LYS 1022Cb 0.17 -3.21 0.07 0.00 -0.52 0.00 0.00 37.83 34.34 3ksy s LYS 1022CO 0.82 -0.29 1.17 -2.14 -0.92 0.00 0.00 175.35 173.99 3ksy s PRO 1023N 0.18 1.92 -0.41 -1.68 0.02 -1.26 -4.51 135.00 129.25 3ksy s PRO 1023Ca 0.58 1.59 -0.16 0.00 0.02 0.00 0.00 61.00 63.04 3ksy s PRO 1023Cb -0.36 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.35 3ksy s PRO 1023CO 0.36 -1.97 0.37 -1.17 -0.33 0.00 0.00 177.00 174.26 3ksy s LEU 1024N -5.61 4.93 0.90 -5.54 0.20 -1.26 -4.68 118.68 107.63 3ksy s LEU 1024Ca 0.70 -0.74 -0.10 0.00 0.69 0.00 0.00 54.13 54.68 3ksy s LEU 1024Cb -0.25 -2.28 0.14 0.00 -0.43 0.00 0.00 46.19 43.37 3ksy s LEU 1024CO 0.50 -0.50 1.12 -2.84 -0.29 0.00 0.00 176.35 174.34 3ksy s PRO 1025N 1.92 1.12 -0.61 0.98 0.02 -1.26 -4.99 135.00 132.18 3ksy s PRO 1025Ca 0.09 1.36 -0.10 0.00 0.02 0.00 0.00 61.00 62.37 3ksy s PRO 1025Cb -0.18 -1.75 0.16 0.00 0.02 0.00 0.00 34.50 32.75 3ksy s PRO 1025CO 0.12 -2.50 0.50 1.03 -0.33 0.00 0.00 177.00 175.82 3ksy s ARG 1026N -4.70 2.86 0.22 5.54 1.81 -1.26 -4.99 118.95 118.43 3ksy s ARG 1026Ca 0.65 -2.13 -0.24 0.00 -1.72 0.00 0.00 55.73 52.30 3ksy s ARG 1026Cb -0.21 -4.06 -0.09 0.00 -0.45 0.00 0.00 34.95 30.14 3ksy s ARG 1026CO 0.58 -1.23 0.81 -0.06 -0.68 0.00 0.00 175.30 174.72 3ksy s PHE 1027N 0.73 3.79 0.87 -0.53 0.08 -1.26 -5.05 117.98 116.61 3ksy s PHE 1027Ca 0.11 1.61 -0.11 0.00 0.12 0.00 0.00 56.93 58.67 3ksy s PHE 1027Cb -0.21 -2.77 0.11 0.00 -0.57 0.00 0.00 43.02 39.58 3ksy s PHE 1027CO -0.03 0.39 1.10 -2.14 -0.10 0.00 0.00 175.22 174.44 3ksy s PRO 1028N -1.59 1.48 0.25 0.24 0.02 -1.26 -4.32 135.00 129.81 3ksy s PRO 1028Ca 0.41 1.16 -0.30 0.00 0.02 0.00 0.00 61.00 62.29 3ksy s PRO 1028Cb -0.20 -1.81 -0.09 0.00 0.02 0.00 0.00 34.50 32.42 3ksy s PRO 1028CO 0.25 -2.18 0.96 0.15 -0.33 0.00 0.00 177.00 175.84 3ksy s LYS 1029N -4.82 4.83 -0.21 5.54 1.02 -1.26 -3.82 119.74 121.02 3ksy s LYS 1029Ca 0.64 1.53 0.12 0.00 0.02 0.00 0.00 55.97 58.27 3ksy s LYS 1029Cb -0.19 -3.26 -0.22 0.00 -0.52 0.00 0.00 37.83 33.64 3ksy s LYS 1029CO 0.57 0.48 -0.00 0.36 -0.92 0.00 0.00 175.35 175.84 3ksy n LYS 1030N 1.43 0.68 -2.94 1.68 2.85 -1.26 -4.91 118.16 115.68 3ksy n LYS 1030Ca -0.02 0.06 -0.41 0.00 -1.05 0.00 0.00 58.31 56.89 3ksy n LYS 1030Cb 0.47 -1.54 -0.05 0.00 -0.65 0.00 0.00 35.03 33.27 3ksy n LYS 1030CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3ksy s TYR 1031N -2.51 3.33 -0.46 5.58 2.02 -1.26 -4.94 117.35 119.12 3ksy s TYR 1031Ca -0.19 1.10 0.03 0.00 -0.37 0.00 0.00 57.07 57.64 3ksy s TYR 1031Cb 0.07 -2.99 0.61 0.00 -0.40 0.00 0.00 41.96 39.25 3ksy s TYR 1031CO 0.75 -0.34 1.90 -1.13 -1.57 0.00 0.00 175.55 175.16 3ksy n SER 1032N 5.73 4.21 -4.22 2.29 3.41 -1.26 -4.93 113.62 118.84 3ksy n SER 1032Ca 0.04 -3.56 -0.15 0.00 -0.26 0.00 0.00 58.87 54.93 3ksy n SER 1032Cb 0.48 -0.85 -0.11 0.00 -0.26 0.00 0.00 64.21 63.48 3ksy n SER 1032CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3ksy s TYR 1033N -3.22 1.24 -0.41 7.33 -0.85 -1.26 -5.09 117.35 115.09 3ksy s TYR 1033Ca 0.55 -0.66 -0.44 0.00 -0.52 0.00 0.00 57.07 56.00 3ksy s TYR 1033Cb 0.46 -0.65 -0.19 0.00 0.38 0.00 0.00 41.96 41.97 3ksy s TYR 1033CO 0.09 0.08 1.63 -2.30 -1.52 0.00 0.00 175.55 173.53 3ksy n PRO 1034N 0.27 0.39 0.00 -3.49 -0.02 -1.26 -4.83 135.00 126.05 3ksy n PRO 1034Ca -0.14 0.14 0.13 0.00 -2.02 0.00 0.00 63.50 61.62 3ksy n PRO 1034Cb 0.59 -1.70 0.45 0.00 -0.02 0.00 0.00 33.50 32.81 3ksy n PRO 1034CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3ksy n LEU 1035N 4.36 1.33 -4.72 2.45 7.94 -1.26 -4.91 117.00 122.19 3ksy n LEU 1035Ca 0.29 -0.41 -0.41 0.00 -1.11 0.00 0.00 56.01 54.37 3ksy n LEU 1035Cb 0.01 -0.05 -0.04 0.00 0.53 0.00 0.00 43.42 43.86 3ksy n LEU 1035CO 0.86 0.23 0.64 -0.75 -1.11 0.00 0.00 177.39 177.26 3ksy s LYS 1036N -2.22 4.63 0.47 1.96 2.20 -1.26 -4.97 119.74 120.54 3ksy s LYS 1036Ca 0.32 1.38 -0.22 0.00 -0.36 0.00 0.00 55.97 57.09 3ksy s LYS 1036Cb 0.20 -3.40 -0.07 0.00 -1.51 0.00 0.00 37.83 33.04 3ksy s LYS 1036CO 0.42 0.13 1.11 0.45 -0.36 0.00 0.00 175.35 177.10 3ksy s SER 1037N 0.33 6.19 0.07 1.43 0.15 -1.26 -5.00 113.70 115.61 3ksy s SER 1037Ca 0.47 2.16 -0.35 0.00 0.70 0.00 0.00 55.95 58.93 3ksy s SER 1037Cb -0.22 -2.59 -0.18 0.00 -1.71 0.00 0.00 66.02 61.32 3ksy s SER 1037CO 0.28 -0.89 1.53 -0.65 1.20 0.00 0.00 173.24 174.71 3ksy h PRO 1038N 1.83 -1.06 -1.83 5.44 0.11 -1.97 -3.49 132.00 131.03 3ksy h PRO 1038Ca -0.49 0.07 0.01 0.00 0.11 0.00 0.00 66.00 65.70 3ksy h PRO 1038Cb 1.24 0.24 -0.23 0.00 0.11 0.00 0.00 31.00 32.36 3ksy h PRO 1038CO 0.60 -0.71 0.25 0.20 -0.21 0.00 0.00 178.00 178.13 3ksy s GLY 1039N -2.00 -0.38 -1.71 -0.55 0.00 -1.26 -4.93 107.32 96.49 3ksy s GLY 1039Ca -0.18 2.36 0.00 0.00 0.00 0.00 0.00 44.72 46.90 3ksy s GLY 1039CO 0.57 1.88 0.00 -0.62 0.00 0.00 0.00 173.10 174.93 3ksy n VAL 1040N 2.70 -0.32 -3.97 1.40 0.31 -1.26 -4.97 118.33 112.22 3ksy n VAL 1040Ca -0.14 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 63.88 3ksy n VAL 1040Cb 0.56 -2.07 -0.15 0.00 -0.91 0.00 0.00 33.84 31.27 3ksy n VAL 1040CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3ksy s ARG 1041N -4.02 1.39 0.98 5.55 0.52 -1.26 -5.00 118.95 117.12 3ksy s ARG 1041Ca 0.00 -1.68 -0.13 0.00 -0.52 0.00 0.00 55.73 53.40 3ksy s ARG 1041Cb 0.00 -2.95 0.07 0.00 0.52 0.00 0.00 34.95 32.59 3ksy s ARG 1041CO 0.00 -0.92 0.44 -2.30 0.02 0.00 0.00 175.30 172.54 3ksy n PRO 1042N 4.38 -0.61 -3.38 3.54 -0.02 -1.26 -4.98 135.00 132.66 3ksy n PRO 1042Ca 0.01 -0.14 -0.34 0.00 -2.02 0.00 0.00 63.50 61.02 3ksy n PRO 1042Cb 0.42 -1.90 -0.06 0.00 -0.02 0.00 0.00 33.50 31.95 3ksy n PRO 1042CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3ksy s SER 1043N -2.07 6.72 0.16 2.55 0.01 -1.26 -5.01 113.70 114.80 3ksy s SER 1043Ca 0.58 1.00 -0.19 0.00 1.31 0.00 0.00 55.95 58.65 3ksy s SER 1043Cb -0.20 -2.26 0.06 0.00 0.21 0.00 0.00 66.02 63.83 3ksy s SER 1043CO 0.66 0.01 1.66 0.78 0.41 0.00 0.00 173.24 176.76 3ksy h ASN 1044N 3.02 -0.50 0.00 2.44 2.35 -2.02 -3.49 115.58 117.39 3ksy h ASN 1044Ca -0.48 0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 3ksy h ASN 1044Cb 1.18 0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.83 3ksy h ASN 1044CO 0.67 -0.18 0.00 -2.65 -1.65 0.00 0.00 177.43 173.62