#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ksc h GLU 9 N 0.00 0.00 -0.26 3.52 4.11 -1.97 -2.42 114.58 117.56 3ksc h GLU 9 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3ksc h GLU 9 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3ksc h GLU 9 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.08 3ksc n GLN 11 N 0.87 2.98 -2.78 0.00 7.27 -0.91 -4.91 117.38 119.90 3ksc n GLN 11 Ca 0.12 -1.82 -0.42 0.00 0.07 0.00 0.00 57.00 54.96 3ksc n GLN 11 Cb 0.44 -2.60 -0.03 0.00 2.41 0.00 0.00 30.24 30.46 3ksc n GLN 11 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3ksc s LEU 12 N 0.13 4.31 0.00 1.69 1.43 -1.26 -4.92 118.68 120.05 3ksc s LEU 12 Ca 0.59 1.50 0.15 0.00 -1.03 0.00 0.00 54.13 55.33 3ksc s LEU 12 Cb 0.16 -3.45 -0.05 0.00 0.03 0.00 0.00 46.19 42.88 3ksc s LEU 12 CO -0.05 -0.31 0.76 -0.62 0.23 0.00 0.00 176.35 176.37 3ksc n GLU 13 N 4.34 1.89 -3.52 1.70 -0.58 -1.26 -4.90 120.64 118.31 3ksc n GLU 13 Ca 0.05 -0.53 -0.15 0.00 -0.42 0.00 0.00 57.16 56.11 3ksc n GLU 13 Cb 0.50 -1.23 -0.12 0.00 -0.57 0.00 0.00 31.44 30.02 3ksc n GLU 13 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 3ksc s ARG 14 N -1.99 0.20 0.31 3.49 3.52 -1.26 -4.62 118.95 118.60 3ksc s ARG 14 Ca 0.10 0.44 0.00 0.00 -0.13 0.00 0.00 55.73 56.15 3ksc s ARG 14 Cb 0.12 -0.70 -0.04 0.00 -1.56 0.00 0.00 34.95 32.77 3ksc s ARG 14 CO 0.45 -0.53 0.51 -0.51 -0.81 0.00 0.00 175.30 174.41 3ksc s LEU 15 N 2.40 4.07 0.04 -0.88 1.43 0.77 -5.01 118.68 121.50 3ksc s LEU 15 Ca 0.06 0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.61 3ksc s LEU 15 Cb -0.14 -3.27 -0.02 0.00 0.03 0.00 0.00 46.19 42.78 3ksc s LEU 15 CO -0.12 -0.23 -0.07 -1.81 0.23 0.00 0.00 176.35 174.36 3ksc s ASP 16 N -3.83 0.72 -0.43 2.29 1.11 -1.26 -4.77 116.67 110.51 3ksc s ASP 16 Ca 0.40 -0.56 -0.28 0.00 0.18 0.00 0.00 52.55 52.29 3ksc s ASP 16 Cb -0.10 0.06 0.02 0.00 1.07 0.00 0.00 42.92 43.97 3ksc s ASP 16 CO 0.34 -0.24 1.05 0.00 1.18 0.00 0.00 175.17 177.50 3ksc s ALA 17 N -1.51 3.27 -0.14 5.23 0.00 -1.26 -4.63 121.76 122.72 3ksc s ALA 17 Ca -0.10 -0.46 -0.10 0.00 0.00 0.00 0.00 51.96 51.30 3ksc s ALA 17 Cb -0.09 -3.75 -0.05 0.00 0.00 0.00 0.00 23.12 19.23 3ksc s ALA 17 CO -0.00 -1.98 0.18 -0.51 0.00 0.00 0.00 175.76 173.45 3ksc s LEU 18 N 4.02 4.33 0.30 0.00 1.43 0.21 -4.82 118.68 124.15 3ksc s LEU 18 Ca 0.44 0.45 0.06 0.00 -1.03 0.00 0.00 54.13 54.05 3ksc s LEU 18 Cb -0.09 -2.17 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 3ksc s LEU 18 CO 0.26 0.29 0.42 -1.61 0.23 0.00 0.00 176.35 175.94 3ksc s GLU 19 N -0.42 3.20 0.43 1.70 2.02 -1.26 -1.01 118.70 123.35 3ksc s GLU 19 Ca 0.14 -0.95 -0.26 0.00 0.02 0.00 0.00 54.97 53.93 3ksc s GLU 19 Cb -0.12 -2.82 -0.08 0.00 0.10 0.00 0.00 34.13 31.20 3ksc s GLU 19 CO 0.03 0.19 1.36 -2.14 0.02 0.00 0.00 175.26 174.72 3ksc s PRO 20 N -4.09 3.83 -0.04 0.39 0.02 -1.26 -4.78 135.00 129.06 3ksc s PRO 20 Ca 0.41 2.27 0.16 0.00 0.02 0.00 0.00 61.00 63.86 3ksc s PRO 20 Cb -0.09 -2.70 0.49 0.00 0.02 0.00 0.00 34.50 32.22 3ksc s PRO 20 CO 0.30 -0.65 1.41 -0.40 -0.33 0.00 0.00 177.00 177.34 3ksc n ASP 21 N -0.04 3.62 -3.64 2.53 5.68 -0.73 -4.94 116.55 119.03 3ksc n ASP 21 Ca 0.04 -2.18 -0.11 0.00 -0.50 0.00 0.00 54.79 52.04 3ksc n ASP 21 Cb 0.43 -0.39 -0.07 0.00 -1.14 0.00 0.00 41.12 39.95 3ksc n ASP 21 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 3ksc s ASN 22 N -1.08 -0.83 -0.05 -1.12 -0.87 -1.20 -5.03 114.94 104.76 3ksc s ASN 22 Ca 0.37 1.47 0.04 0.00 -1.57 0.00 0.00 52.86 53.17 3ksc s ASN 22 Cb 0.22 1.42 -0.00 0.00 -0.02 0.00 0.00 41.25 42.87 3ksc s ASN 22 CO 0.21 -0.24 -0.18 0.00 -2.57 0.00 0.00 177.10 174.32 3ksc s ARG 23 N 0.93 1.89 -0.29 -0.60 1.70 -1.26 -1.72 118.95 119.60 3ksc s ARG 23 Ca -0.04 -0.64 0.02 0.00 -0.47 0.00 0.00 55.73 54.60 3ksc s ARG 23 Cb -0.05 -1.63 0.08 0.00 -0.57 0.00 0.00 34.95 32.78 3ksc s ARG 23 CO -0.08 0.25 -0.00 0.42 -1.08 0.00 0.00 175.30 174.80 3ksc s ILE 24 N 0.05 1.84 0.22 4.99 1.01 -0.11 -4.98 121.20 124.22 3ksc s ILE 24 Ca -0.05 -1.75 -0.30 0.00 0.00 0.00 0.00 60.65 58.55 3ksc s ILE 24 Cb -0.12 -2.21 -0.08 0.00 0.01 0.00 0.00 42.46 40.06 3ksc s ILE 24 CO 0.03 -0.36 0.97 -1.61 0.00 0.00 0.00 174.94 173.97 3ksc s GLU 25 N 1.18 4.79 0.19 2.79 2.02 -1.26 -2.21 118.70 126.20 3ksc s GLU 25 Ca 0.02 1.53 0.02 0.00 0.02 0.00 0.00 54.97 56.56 3ksc s GLU 25 Cb -0.19 -3.29 -0.05 0.00 0.10 0.00 0.00 34.13 30.71 3ksc s GLU 25 CO -0.09 0.41 0.01 -1.54 0.02 0.00 0.00 175.26 174.07 3ksc s SER 26 N -0.89 1.24 0.32 -0.19 1.04 0.18 -4.86 113.70 110.54 3ksc s SER 26 Ca 0.43 -1.20 0.08 0.00 0.48 0.00 0.00 55.95 55.74 3ksc s SER 26 Cb -0.26 0.12 0.92 0.00 0.10 0.00 0.00 66.02 66.90 3ksc s SER 26 CO 0.33 -0.58 1.62 -0.08 0.98 0.00 0.00 173.24 175.50 3ksc h GLU 27 N 2.65 0.14 -0.23 4.02 4.81 -1.09 -1.72 114.58 123.15 3ksc h GLU 27 Ca -0.37 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 3ksc h GLU 27 Cb 1.21 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3ksc h GLU 27 CO 0.62 0.10 0.00 0.41 -0.73 0.00 0.00 179.01 179.41 3ksc n GLY 28 N -1.36 1.51 0.00 1.92 0.00 0.11 -4.65 105.19 102.72 3ksc n GLY 28 Ca 0.27 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3ksc n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ksc n GLY 29 N 0.67 -0.74 3.34 -0.02 0.00 -0.65 -1.15 105.19 106.64 3ksc n GLY 29 Ca 0.11 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 3ksc n GLY 29 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ksc s LEU 30 N 0.00 0.33 -0.11 0.99 2.96 -0.67 -0.65 118.68 121.53 3ksc s LEU 30 Ca 0.00 0.60 0.01 0.00 -0.22 0.00 0.00 54.13 54.52 3ksc s LEU 30 Cb 0.00 1.61 0.02 0.00 0.50 0.00 0.00 46.19 48.31 3ksc s LEU 30 CO 0.00 -0.32 -0.12 -0.63 -1.32 0.00 0.00 176.35 173.95 3ksc s ILE 31 N -0.51 1.32 -0.10 6.68 1.01 -0.94 -0.25 121.20 128.40 3ksc s ILE 31 Ca -0.06 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.06 3ksc s ILE 31 Cb -0.03 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 3ksc s ILE 31 CO 0.03 0.41 -0.03 -1.61 0.00 0.00 0.00 174.94 173.74 3ksc s GLU 32 N 1.27 3.14 0.02 2.79 2.02 0.22 -0.94 118.70 127.22 3ksc s GLU 32 Ca -0.02 -0.49 0.08 0.00 0.02 0.00 0.00 54.97 54.56 3ksc s GLU 32 Cb -0.14 -2.77 -0.02 0.00 0.10 0.00 0.00 34.13 31.30 3ksc s GLU 32 CO -0.05 0.54 -0.24 0.95 0.02 0.00 0.00 175.26 176.48 3ksc s THR 33 N -0.45 1.92 0.22 3.63 -4.23 -0.70 0.51 115.64 116.55 3ksc s THR 33 Ca 0.07 -1.18 -0.13 0.00 -1.18 0.00 0.00 61.69 59.27 3ksc s THR 33 Cb -0.12 -1.62 -0.08 0.00 1.34 0.00 0.00 72.50 72.02 3ksc s THR 33 CO 0.02 0.40 0.61 0.26 -0.54 0.00 0.00 174.62 175.37 3ksc s TRP 34 N -0.69 3.49 -0.15 3.99 0.51 -0.43 -1.78 118.94 123.87 3ksc s TRP 34 Ca 0.10 1.05 -0.29 0.00 -2.12 0.00 0.00 56.10 54.84 3ksc s TRP 34 Cb -0.09 -2.39 -0.04 0.00 -0.81 0.00 0.00 33.47 30.14 3ksc s TRP 34 CO 0.01 0.29 1.68 1.21 -0.51 0.00 0.00 176.95 179.62 3ksc s ASN 35 N -2.08 6.43 0.50 2.95 3.84 -1.26 -4.54 114.94 120.78 3ksc s ASN 35 Ca 0.46 1.89 0.31 0.00 0.21 0.00 0.00 52.86 55.72 3ksc s ASN 35 Cb -0.13 -2.53 1.17 0.00 -0.55 0.00 0.00 41.25 39.21 3ksc s ASN 35 CO 0.20 -1.18 1.90 1.55 -2.79 0.00 0.00 177.10 176.78 3ksc h PRO 36 N 10.57 0.00 0.00 0.43 0.13 -1.94 -2.93 132.00 138.25 3ksc h PRO 36 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3ksc h PRO 36 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3ksc h PRO 36 CO 0.98 0.00 -0.05 0.09 -0.23 0.00 0.00 178.00 178.79 3ksc n ASN 37 N -3.01 0.40 -4.76 1.44 3.02 -1.26 -3.85 115.26 107.24 3ksc n ASN 37 Ca 0.01 0.49 -0.41 0.00 -0.03 0.00 0.00 54.58 54.64 3ksc n ASN 37 Cb 0.34 -0.57 -0.01 0.00 -0.61 0.00 0.00 39.78 38.93 3ksc n ASN 37 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3ksc s ASN 38 N -3.71 6.35 0.45 6.41 3.84 -1.11 -4.83 114.94 122.35 3ksc s ASN 38 Ca 0.12 3.00 0.16 0.00 0.21 0.00 0.00 52.86 56.35 3ksc s ASN 38 Cb 0.16 -2.65 1.10 0.00 -0.55 0.00 0.00 41.25 39.31 3ksc s ASN 38 CO 0.57 -0.91 1.99 0.50 -2.79 0.00 0.00 177.10 176.46 3ksc h LYS 39 N 4.11 0.32 -0.29 0.43 3.64 -1.91 -1.88 116.57 120.99 3ksc h LYS 39 Ca -0.49 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.84 3ksc h LYS 39 Cb 1.23 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 3ksc h LYS 39 CO 0.73 0.21 0.03 1.96 -2.27 0.00 0.00 179.45 180.11 3ksc h GLN 40 N 0.33 0.50 0.00 1.90 4.20 -1.89 -1.01 115.11 119.13 3ksc h GLN 40 Ca 0.26 -0.15 -0.12 0.00 0.06 0.00 0.00 58.65 58.71 3ksc h GLN 40 Cb 0.60 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 3ksc h GLN 40 CO -0.06 0.63 -0.56 0.74 -0.67 0.00 0.00 178.83 178.91 3ksc h PHE 41 N 0.31 0.00 -0.31 2.96 0.04 -1.72 -2.17 116.94 116.05 3ksc h PHE 41 Ca 0.09 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.68 3ksc h PHE 41 Cb 0.38 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 3ksc h PHE 41 CO 0.03 0.56 -0.49 0.00 -0.60 0.00 0.00 178.31 177.80 3ksc h ARG 42 N 0.00 0.85 -0.55 1.51 3.08 -1.26 0.14 114.38 118.15 3ksc h ARG 42 Ca -0.01 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3ksc h ARG 42 Cb 1.06 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.13 3ksc h ARG 42 CO 0.07 1.15 0.36 0.00 -1.07 0.00 0.00 179.97 180.48 3ksc h ALA 44 N 1.19 1.40 -0.30 0.00 0.00 -1.24 -3.47 119.26 116.85 3ksc h ALA 44 Ca 0.20 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3ksc h ALA 44 Cb -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3ksc h ALA 44 CO -0.04 0.43 -0.01 0.41 0.00 0.00 0.00 179.25 180.04 3ksc n GLY 45 N -0.58 0.48 3.32 0.00 0.00 -0.05 -4.86 105.19 103.51 3ksc n GLY 45 Ca -0.02 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 45.03 3ksc n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ksc s VAL 46 N -2.25 0.00 0.05 1.61 -7.23 -0.70 -1.41 120.40 110.47 3ksc s VAL 46 Ca 0.00 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.31 3ksc s VAL 46 Cb -0.00 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 3ksc s VAL 46 CO 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 174.74 3ksc s ALA 47 N -3.71 0.53 -0.03 1.32 0.00 -0.69 -4.57 121.76 114.61 3ksc s ALA 47 Ca 0.36 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.40 3ksc s ALA 47 Cb 0.03 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.31 3ksc s ALA 47 CO 0.18 -0.19 -0.11 -1.17 0.00 0.00 0.00 175.76 174.47 3ksc s LEU 48 N -2.20 1.83 0.14 0.00 1.98 -1.26 -1.30 118.68 117.86 3ksc s LEU 48 Ca -0.03 -0.24 -0.06 0.00 -2.89 0.00 0.00 54.13 50.91 3ksc s LEU 48 Cb -0.02 -0.68 -0.02 0.00 0.66 0.00 0.00 46.19 46.13 3ksc s LEU 48 CO -0.04 0.09 0.19 -0.94 -1.89 0.00 0.00 176.35 173.77 3ksc s SER 49 N 0.14 0.15 -0.04 3.68 1.04 -0.71 -1.32 113.70 116.65 3ksc s SER 49 Ca -0.03 -0.92 -0.01 0.00 0.48 0.00 0.00 55.95 55.47 3ksc s SER 49 Cb -0.09 0.37 0.03 0.00 0.10 0.00 0.00 66.02 66.42 3ksc s SER 49 CO 0.01 -0.81 0.03 -0.60 0.98 0.00 0.00 173.24 172.85 3ksc s ARG 50 N -3.97 0.14 -0.13 4.02 3.52 0.18 0.01 118.95 122.73 3ksc s ARG 50 Ca 0.16 0.21 -0.00 0.00 -0.13 0.00 0.00 55.73 55.97 3ksc s ARG 50 Cb 0.05 -0.51 -0.02 0.00 -1.56 0.00 0.00 34.95 32.91 3ksc s ARG 50 CO -0.02 -0.23 -0.12 0.00 -0.81 0.00 0.00 175.30 174.12 3ksc s ALA 51 N 1.55 2.68 -0.17 6.12 0.00 0.57 0.73 121.76 133.24 3ksc s ALA 51 Ca -0.03 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 3ksc s ALA 51 Cb -0.13 -1.24 -0.00 0.00 0.00 0.00 0.00 23.12 21.75 3ksc s ALA 51 CO -0.03 0.27 -0.12 0.99 0.00 0.00 0.00 175.76 176.87 3ksc s THR 52 N 0.25 2.86 -0.23 0.00 2.01 0.65 -0.77 115.64 120.40 3ksc s THR 52 Ca -0.08 -0.69 -0.04 0.00 0.31 0.00 0.00 61.69 61.19 3ksc s THR 52 Cb -0.15 -2.24 -0.00 0.00 0.01 0.00 0.00 72.50 70.12 3ksc s THR 52 CO 0.05 0.49 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.68 3ksc s LEU 53 N 0.98 3.03 0.00 4.42 1.43 0.43 -1.66 118.68 127.31 3ksc s LEU 53 Ca -0.02 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.46 3ksc s LEU 53 Cb -0.15 -1.74 0.18 0.00 0.03 0.00 0.00 46.19 44.51 3ksc s LEU 53 CO -0.02 -0.05 0.75 0.00 0.23 0.00 0.00 176.35 177.26 3ksc n GLN 54 N 4.78 -1.84 -1.80 1.70 1.13 -0.30 -0.93 117.38 120.13 3ksc n GLN 54 Ca -0.18 -1.18 -0.42 0.00 -1.94 0.00 0.00 57.00 53.28 3ksc n GLN 54 Cb 0.50 -0.98 -0.03 0.00 0.11 0.00 0.00 30.24 29.84 3ksc n GLN 54 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3ksc s ARG 55 N -4.67 4.16 -1.23 -1.09 3.52 -1.26 -2.01 118.95 116.37 3ksc s ARG 55 Ca 0.46 2.50 -0.03 0.00 -0.13 0.00 0.00 55.73 58.54 3ksc s ARG 55 Cb -0.03 -3.37 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 3ksc s ARG 55 CO 0.34 -0.75 0.36 0.09 -0.81 0.00 0.00 175.30 174.53 3ksc n ASN 56 N 4.88 -5.00 -4.83 -2.12 5.03 0.71 -4.86 115.26 109.06 3ksc n ASN 56 Ca 0.16 -0.17 -0.37 0.00 0.87 0.00 0.00 54.58 55.07 3ksc n ASN 56 Cb 0.38 -3.91 -0.06 0.00 -1.02 0.00 0.00 39.78 35.16 3ksc n ASN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ksc s ALA 57 N -2.98 3.76 -0.27 5.41 0.00 -0.85 -0.47 121.76 126.35 3ksc s ALA 57 Ca 0.18 -0.46 -0.04 0.00 0.00 0.00 0.00 51.96 51.64 3ksc s ALA 57 Cb -0.08 -2.20 0.02 0.00 0.00 0.00 0.00 23.12 20.86 3ksc s ALA 57 CO 0.22 0.46 0.02 -1.17 0.00 0.00 0.00 175.76 175.29 3ksc s LEU 58 N -0.74 3.56 -0.72 0.00 0.20 0.25 -1.69 118.68 119.54 3ksc s LEU 58 Ca 0.18 -0.79 -0.26 0.00 0.69 0.00 0.00 54.13 53.95 3ksc s LEU 58 Cb -0.14 -1.78 -0.01 0.00 -0.43 0.00 0.00 46.19 43.83 3ksc s LEU 58 CO 0.07 -0.16 1.74 -0.60 -0.29 0.00 0.00 176.35 177.11 3ksc s ARG 59 N 1.42 2.78 0.56 1.98 6.06 0.15 -0.35 118.95 131.54 3ksc s ARG 59 Ca 0.01 0.17 -0.21 0.00 -2.50 0.00 0.00 55.73 53.21 3ksc s ARG 59 Cb -0.17 -4.53 -0.06 0.00 0.06 0.00 0.00 34.95 30.25 3ksc s ARG 59 CO -0.01 -2.71 1.13 0.54 -2.50 0.00 0.00 175.30 171.75 3ksc n ARG 60 N 9.15 1.26 -1.66 5.12 1.74 -0.70 -2.81 116.66 128.76 3ksc n ARG 60 Ca 0.21 0.47 -0.45 0.00 -0.77 0.00 0.00 57.85 57.31 3ksc n ARG 60 Cb 0.50 -2.31 -0.03 0.00 -1.02 0.00 0.00 32.46 29.61 3ksc n ARG 60 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3ksc n PRO 61 N -0.87 1.91 -3.90 5.56 -0.02 -1.26 -4.82 135.00 131.61 3ksc n PRO 61 Ca 0.12 0.68 -0.09 0.00 -2.02 0.00 0.00 63.50 62.19 3ksc n PRO 61 Cb 0.45 -2.32 -0.07 0.00 -0.02 0.00 0.00 33.50 31.54 3ksc n PRO 61 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3ksc s TYR 62 N -0.02 0.26 0.27 6.00 1.13 -0.81 -2.74 117.35 121.45 3ksc s TYR 62 Ca 0.70 -0.64 0.02 0.00 -1.41 0.00 0.00 57.07 55.74 3ksc s TYR 62 Cb -0.68 -0.02 -0.05 0.00 -1.10 0.00 0.00 41.96 40.10 3ksc s TYR 62 CO 0.49 -0.67 0.07 1.52 -2.51 0.00 0.00 175.55 174.45 3ksc s TYR 63 N -3.92 1.66 0.05 -3.49 -0.85 -0.09 -1.33 117.35 109.38 3ksc s TYR 63 Ca 0.12 -1.07 -0.07 0.00 -0.52 0.00 0.00 57.07 55.53 3ksc s TYR 63 Cb 0.04 -1.01 -0.00 0.00 0.38 0.00 0.00 41.96 41.36 3ksc s TYR 63 CO -0.04 -0.18 0.15 0.45 -1.52 0.00 0.00 175.55 174.40 3ksc s SER 64 N -3.36 0.12 -0.12 -0.18 0.15 -1.26 0.38 113.70 109.44 3ksc s SER 64 Ca 0.36 -0.50 0.06 0.00 0.70 0.00 0.00 55.95 56.56 3ksc s SER 64 Cb 0.08 0.27 0.35 0.00 -1.71 0.00 0.00 66.02 65.01 3ksc s SER 64 CO 0.13 -0.56 1.10 -0.46 1.20 0.00 0.00 173.24 174.64 3ksc n ASN 65 N 0.59 3.12 -3.78 5.45 6.94 -1.26 -0.77 115.26 125.57 3ksc n ASN 65 Ca -0.18 -2.45 -0.11 0.00 -0.02 0.00 0.00 54.58 51.82 3ksc n ASN 65 Cb 0.59 -0.59 -0.07 0.00 -2.36 0.00 0.00 39.78 37.35 3ksc n ASN 65 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ksc s ALA 66 N -1.74 -0.56 0.57 -2.53 0.00 -1.26 -4.19 121.76 112.05 3ksc s ALA 66 Ca 0.24 -0.17 -0.20 0.00 0.00 0.00 0.00 51.96 51.83 3ksc s ALA 66 Cb 0.19 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 3ksc s ALA 66 CO 0.07 -0.44 1.29 -2.14 0.00 0.00 0.00 175.76 174.54 3ksc s PRO 67 N -2.92 3.01 0.03 0.00 0.02 -1.26 -4.41 135.00 129.47 3ksc s PRO 67 Ca -0.02 2.07 0.09 0.00 0.02 0.00 0.00 61.00 63.15 3ksc s PRO 67 Cb 0.00 -2.10 -0.03 0.00 0.02 0.00 0.00 34.50 32.40 3ksc s PRO 67 CO -0.06 -1.24 -0.25 -0.65 -0.33 0.00 0.00 177.00 174.47 3ksc s GLN 68 N -3.09 1.76 -0.12 5.54 -0.21 -0.40 -0.71 119.66 122.42 3ksc s GLN 68 Ca 0.75 -1.03 0.01 0.00 0.02 0.00 0.00 55.36 55.11 3ksc s GLN 68 Cb -0.37 -1.87 0.02 0.00 1.00 0.00 0.00 33.01 31.79 3ksc s GLN 68 CO 0.41 0.49 -0.15 -2.00 -2.12 0.00 0.00 175.29 171.93 3ksc s GLU 69 N -1.08 2.23 -0.15 2.91 2.12 -0.35 -1.65 118.70 122.72 3ksc s GLU 69 Ca 0.10 -0.55 0.01 0.00 0.36 0.00 0.00 54.97 54.89 3ksc s GLU 69 Cb -0.10 -1.95 0.00 0.00 0.26 0.00 0.00 34.13 32.35 3ksc s GLU 69 CO 0.01 -0.12 -0.18 0.42 -0.54 0.00 0.00 175.26 174.84 3ksc s ILE 70 N 1.17 2.36 -0.23 -3.70 1.01 -0.42 -0.23 121.20 121.15 3ksc s ILE 70 Ca -0.03 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.67 3ksc s ILE 70 Cb -0.14 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 3ksc s ILE 70 CO -0.05 0.53 0.09 0.12 0.00 0.00 0.00 174.94 175.64 3ksc s PHE 71 N 0.86 3.17 -0.79 3.97 5.36 0.47 -0.79 117.98 130.22 3ksc s PHE 71 Ca -0.05 -0.14 -0.26 0.00 -0.96 0.00 0.00 56.93 55.52 3ksc s PHE 71 Cb -0.15 -2.22 0.03 0.00 -0.34 0.00 0.00 43.02 40.34 3ksc s PHE 71 CO -0.02 -0.15 1.33 0.42 -1.46 0.00 0.00 175.22 175.35 3ksc s ILE 72 N 1.23 3.74 0.22 3.12 -1.09 -0.20 -1.18 121.20 127.04 3ksc s ILE 72 Ca 0.05 0.19 0.06 0.00 -2.23 0.00 0.00 60.65 58.72 3ksc s ILE 72 Cb -0.14 -4.91 -0.09 0.00 -1.58 0.00 0.00 42.46 35.74 3ksc s ILE 72 CO 0.04 -1.84 1.50 -0.61 -1.23 0.00 0.00 174.94 172.80 3ksc h GLN 73 N 10.13 0.12 -2.20 2.79 4.15 -0.49 0.20 115.11 129.80 3ksc h GLN 73 Ca -0.19 -0.10 -0.07 0.00 0.77 0.00 0.00 58.65 59.06 3ksc h GLN 73 Cb 1.05 0.02 -0.20 0.00 0.21 0.00 0.00 27.48 28.56 3ksc h GLN 73 CO 1.30 0.79 0.07 -1.14 -1.93 0.00 0.00 178.83 177.93 3ksc s GLN 74 N -3.44 0.88 0.00 1.69 0.74 -0.94 -4.74 119.66 113.85 3ksc s GLN 74 Ca -0.02 0.48 0.00 0.00 0.05 0.00 0.00 55.36 55.87 3ksc s GLN 74 Cb 0.11 0.42 0.00 0.00 1.10 0.00 0.00 33.01 34.64 3ksc s GLN 74 CO 0.80 -0.21 0.00 0.41 -0.55 0.00 0.00 175.29 175.74 3ksc n GLY 75 N 1.75 -0.32 3.06 2.59 0.00 -1.26 -0.44 105.19 110.57 3ksc n GLY 75 Ca -0.17 -1.85 -0.09 0.00 0.00 0.00 0.00 46.02 43.92 3ksc n GLY 75 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ksc s ASN 76 N -1.09 0.27 0.00 1.61 -0.87 -1.26 -1.42 114.94 112.17 3ksc s ASN 76 Ca 0.00 -0.61 0.00 0.00 -1.57 0.00 0.00 52.86 50.68 3ksc s ASN 76 Cb 0.00 0.17 0.00 0.00 -0.02 0.00 0.00 41.25 41.40 3ksc s ASN 76 CO 0.00 -0.44 0.00 0.61 -2.57 0.00 0.00 177.10 174.70 3ksc n GLY 77 N 0.97 0.90 3.34 0.66 0.00 -0.73 -4.49 105.19 105.83 3ksc n GLY 77 Ca -0.20 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 3ksc n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ksc s TYR 78 N -1.30 1.91 0.03 1.61 2.02 -0.01 -0.51 117.35 121.10 3ksc s TYR 78 Ca 0.00 -0.44 -0.10 0.00 -0.37 0.00 0.00 57.07 56.16 3ksc s TYR 78 Cb 0.00 -0.97 0.01 0.00 -0.40 0.00 0.00 41.96 40.59 3ksc s TYR 78 CO 0.00 0.33 0.20 -0.59 -1.57 0.00 0.00 175.55 173.93 3ksc s PHE 79 N -1.77 0.03 0.06 2.71 -0.71 -0.39 0.40 117.98 118.31 3ksc s PHE 79 Ca 0.15 -0.21 0.03 0.00 -1.04 0.00 0.00 56.93 55.86 3ksc s PHE 79 Cb -0.07 -0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.70 3ksc s PHE 79 CO 0.07 -0.42 -0.09 0.20 -1.34 0.00 0.00 175.22 173.64 3ksc s GLY 80 N -1.96 0.60 0.01 1.99 0.00 -0.55 -0.90 107.32 106.51 3ksc s GLY 80 Ca -0.07 -0.89 0.04 0.00 0.00 0.00 0.00 44.72 43.80 3ksc s GLY 80 CO -0.03 -0.94 -0.12 1.06 0.00 0.00 0.00 173.10 173.06 3ksc s MET 81 N -1.93 0.93 -0.36 2.90 -1.94 -1.26 -1.67 119.30 115.97 3ksc s MET 81 Ca -0.06 -0.55 -0.09 0.00 -1.71 0.00 0.00 55.69 53.28 3ksc s MET 81 Cb -0.08 -0.90 0.03 0.00 2.01 0.00 0.00 34.83 35.89 3ksc s MET 81 CO 0.00 0.24 0.16 0.08 -0.01 0.00 0.00 175.02 175.49 3ksc s VAL 82 N -0.51 4.27 -0.39 -6.03 1.01 -0.54 -4.71 120.40 113.49 3ksc s VAL 82 Ca 0.03 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 60.94 3ksc s VAL 82 Cb -0.06 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.96 3ksc s VAL 82 CO 0.00 -0.19 0.26 -0.36 0.00 0.00 0.00 175.10 174.81 3ksc s PHE 83 N 1.50 3.24 0.14 5.22 0.08 -1.26 -3.82 117.98 123.08 3ksc s PHE 83 Ca 0.01 -0.66 -0.34 0.00 0.12 0.00 0.00 56.93 56.05 3ksc s PHE 83 Cb -0.19 -2.53 -0.15 0.00 -0.57 0.00 0.00 43.02 39.59 3ksc s PHE 83 CO 0.05 -0.58 1.49 -2.30 -0.10 0.00 0.00 175.22 173.78 3ksc n PRO 84 N 5.10 1.83 -2.39 0.24 -0.02 -1.26 -3.25 135.00 135.25 3ksc n PRO 84 Ca -0.11 0.66 -0.04 0.00 -2.02 0.00 0.00 63.50 61.99 3ksc n PRO 84 Cb 0.47 -2.38 0.02 0.00 -0.02 0.00 0.00 33.50 31.59 3ksc n PRO 84 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ksc n GLY 85 N 3.05 -0.55 3.21 -1.23 0.00 -1.26 -5.07 105.19 103.33 3ksc n GLY 85 Ca 0.17 0.18 -0.11 0.00 0.00 0.00 0.00 46.02 46.26 3ksc n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ksc n PRO 87 N 4.51 0.40 -0.26 0.00 -0.02 -1.26 -5.01 135.00 133.35 3ksc n PRO 87 Ca -0.20 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 3ksc n PRO 87 Cb 0.53 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 3ksc n PRO 87 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3ksc n GLU 88 N 0.50 2.86 0.00 -0.52 1.02 -1.26 -4.90 120.64 118.33 3ksc n GLU 88 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3ksc n GLU 88 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 3ksc n GLU 88 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3ksc n THR 89 N -0.15 0.00 0.00 2.62 -2.24 -0.03 -4.97 114.28 109.50 3ksc n THR 89 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3ksc n THR 89 Cb 0.00 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 3ksc n THR 89 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3ksc n ASP 106 N -1.93 0.00 -4.48 3.42 3.85 -1.26 -2.89 116.55 113.26 3ksc n ASP 106 Ca 0.00 0.00 -0.33 0.00 -0.71 0.00 0.00 54.79 53.75 3ksc n ASP 106 Cb 0.00 0.00 -0.13 0.00 -1.35 0.00 0.00 41.12 39.64 3ksc n ASP 106 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 3ksc s ARG 107 N 0.00 2.80 0.38 0.11 0.52 -1.26 -5.11 118.95 116.39 3ksc s ARG 107 Ca 0.00 -0.65 -0.15 0.00 -0.52 0.00 0.00 55.73 54.41 3ksc s ARG 107 Cb 0.00 -2.50 0.05 0.00 0.52 0.00 0.00 34.95 33.02 3ksc s ARG 107 CO 0.00 0.53 0.78 -3.38 0.02 0.00 0.00 175.30 173.25 3ksc s HIS 108 N -0.47 0.15 0.65 -0.53 -3.43 -1.14 -5.16 115.29 105.36 3ksc s HIS 108 Ca 0.06 -0.81 -0.02 0.00 -0.80 0.00 0.00 55.06 53.49 3ksc s HIS 108 Cb -0.12 0.80 0.07 0.00 -1.43 0.00 0.00 32.58 31.90 3ksc s HIS 108 CO 0.02 -1.55 0.92 -0.65 -2.00 0.00 0.00 174.74 171.47 3ksc s GLN 109 N -2.36 2.15 0.11 -0.38 -0.21 -1.26 -0.85 119.66 116.86 3ksc s GLN 109 Ca 0.16 -0.71 -0.31 0.00 0.02 0.00 0.00 55.36 54.52 3ksc s GLN 109 Cb -0.05 -2.34 -0.10 0.00 1.00 0.00 0.00 33.01 31.53 3ksc s GLN 109 CO 0.12 -1.11 1.80 -1.59 -2.12 0.00 0.00 175.29 172.38 3ksc s LYS 110 N -5.04 4.15 -0.17 2.91 0.00 -1.26 -4.85 119.74 115.47 3ksc s LYS 110 Ca 0.61 2.55 -0.12 0.00 0.00 0.00 0.00 55.97 59.00 3ksc s LYS 110 Cb -0.09 -3.59 -0.05 0.00 0.00 0.00 0.00 37.83 34.10 3ksc s LYS 110 CO 0.42 -0.82 0.24 0.54 0.00 0.00 0.00 175.35 175.73 3ksc s VAL 111 N 2.71 5.34 0.35 1.79 0.11 -1.26 -4.22 120.40 125.21 3ksc s VAL 111 Ca 0.80 0.43 0.09 0.00 -2.93 0.00 0.00 61.98 60.37 3ksc s VAL 111 Cb -0.45 -3.58 -0.06 0.00 -1.53 0.00 0.00 36.38 30.77 3ksc s VAL 111 CO 0.36 0.41 0.00 0.20 -3.33 0.00 0.00 175.10 172.74 3ksc s ASN 112 N 0.39 4.09 0.07 3.54 -0.87 -0.08 -4.92 114.94 117.16 3ksc s ASN 112 Ca 0.14 -1.06 -0.07 0.00 -1.57 0.00 0.00 52.86 50.30 3ksc s ASN 112 Cb -0.12 -0.49 -0.05 0.00 -0.02 0.00 0.00 41.25 40.57 3ksc s ASN 112 CO 0.02 -0.26 0.34 -0.13 -2.57 0.00 0.00 177.10 174.50 3ksc s ARG 113 N -3.71 3.65 0.13 -0.60 0.52 -1.26 -1.26 118.95 116.42 3ksc s ARG 113 Ca 0.35 0.01 0.08 0.00 -0.52 0.00 0.00 55.73 55.64 3ksc s ARG 113 Cb 0.01 -2.99 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 3ksc s ARG 113 CO 0.19 0.57 -0.18 -0.59 0.02 0.00 0.00 175.30 175.31 3ksc s PHE 114 N -1.43 1.68 0.19 -0.53 -0.12 0.33 -4.89 117.98 113.22 3ksc s PHE 114 Ca 0.33 -0.46 0.04 0.00 -0.05 0.00 0.00 56.93 56.79 3ksc s PHE 114 Cb -0.13 -0.88 -0.05 0.00 -0.63 0.00 0.00 43.02 41.32 3ksc s PHE 114 CO 0.19 0.23 -0.05 1.03 -0.05 0.00 0.00 175.22 176.56 3ksc s ARG 115 N -2.35 1.22 0.07 1.99 0.52 -1.26 -1.77 118.95 117.38 3ksc s ARG 115 Ca 0.09 -1.57 -0.37 0.00 -0.52 0.00 0.00 55.73 53.36 3ksc s ARG 115 Cb -0.08 -0.65 -0.18 0.00 0.52 0.00 0.00 34.95 34.57 3ksc s ARG 115 CO 0.05 -0.01 1.16 -1.91 0.02 0.00 0.00 175.30 174.61 3ksc n GLU 116 N -0.32 0.65 -0.42 3.54 2.13 -0.51 -1.44 120.64 124.27 3ksc n GLU 116 Ca -0.07 0.23 0.00 0.00 0.66 0.00 0.00 57.16 57.98 3ksc n GLU 116 Cb 0.62 -1.76 0.00 0.00 0.27 0.00 0.00 31.44 30.57 3ksc n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ksc n GLY 117 N 2.02 0.72 3.78 8.31 0.00 0.70 -4.77 105.19 115.95 3ksc n GLY 117 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3ksc n GLY 117 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ksc s ASP 118 N -2.93 6.64 -0.21 1.61 1.01 -0.52 -0.62 116.67 121.65 3ksc s ASP 118 Ca 0.00 2.03 -0.04 0.00 0.71 0.00 0.00 52.55 55.25 3ksc s ASP 118 Cb 0.00 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 3ksc s ASP 118 CO 0.00 -0.57 -0.04 -0.63 0.21 0.00 0.00 175.17 174.14 3ksc s ILE 119 N -1.72 3.46 -0.15 0.77 -1.09 0.94 -1.04 121.20 122.38 3ksc s ILE 119 Ca 0.60 -0.47 -0.05 0.00 -2.23 0.00 0.00 60.65 58.51 3ksc s ILE 119 Cb -0.21 -2.57 -0.03 0.00 -1.58 0.00 0.00 42.46 38.06 3ksc s ILE 119 CO 0.26 0.43 0.01 -0.63 -1.23 0.00 0.00 174.94 173.78 3ksc s ILE 120 N 1.37 4.35 -0.33 2.92 1.01 0.03 -1.44 121.20 129.11 3ksc s ILE 120 Ca 0.04 -0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.39 3ksc s ILE 120 Cb -0.14 -2.91 -0.00 0.00 0.01 0.00 0.00 42.46 39.41 3ksc s ILE 120 CO -0.02 0.50 0.17 0.00 0.00 0.00 0.00 174.94 175.60 3ksc s ALA 121 N 0.10 3.31 -0.39 9.38 0.00 -0.62 -1.30 121.76 132.23 3ksc s ALA 121 Ca 0.02 -1.44 -0.08 0.00 0.00 0.00 0.00 51.96 50.46 3ksc s ALA 121 Cb -0.13 -2.46 0.07 0.00 0.00 0.00 0.00 23.12 20.60 3ksc s ALA 121 CO 0.02 -0.99 0.21 0.08 0.00 0.00 0.00 175.76 175.07 3ksc s VAL 122 N 1.62 4.05 0.85 0.00 1.01 -0.66 -4.92 120.40 122.34 3ksc s VAL 122 Ca 0.04 -1.34 -0.10 0.00 0.00 0.00 0.00 61.98 60.58 3ksc s VAL 122 Cb -0.17 -3.43 0.10 0.00 0.00 0.00 0.00 36.38 32.88 3ksc s VAL 122 CO 0.07 -0.41 1.12 -2.84 0.00 0.00 0.00 175.10 173.04 3ksc s PRO 123 N 1.40 1.60 -0.03 2.72 0.02 -1.26 -1.27 135.00 138.18 3ksc s PRO 123 Ca 0.02 1.36 -0.35 0.00 0.02 0.00 0.00 61.00 62.06 3ksc s PRO 123 Cb -0.22 -1.81 -0.13 0.00 0.02 0.00 0.00 34.50 32.37 3ksc s PRO 123 CO 0.02 -2.17 1.77 2.41 -0.33 0.00 0.00 177.00 178.70 3ksc n THR 124 N -3.90 0.38 -0.19 0.99 -1.04 -1.26 -2.34 114.28 106.92 3ksc n THR 124 Ca 0.10 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 3ksc n THR 124 Cb 0.53 -1.70 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 3ksc n THR 124 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ksc n GLY 125 N 4.04 1.54 3.72 3.41 0.00 0.05 -4.96 105.19 112.99 3ksc n GLY 125 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3ksc n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ksc s ILE 126 N -2.80 4.69 0.21 -0.61 -1.09 -0.99 -4.77 121.20 115.84 3ksc s ILE 126 Ca 0.00 2.02 -0.30 0.00 -2.23 0.00 0.00 60.65 60.15 3ksc s ILE 126 Cb 0.00 -4.30 -0.08 0.00 -1.58 0.00 0.00 42.46 36.50 3ksc s ILE 126 CO 0.00 0.21 1.19 -0.69 -1.23 0.00 0.00 174.94 174.41 3ksc s VAL 127 N 0.68 3.50 -0.01 2.92 1.01 -1.25 -4.56 120.40 122.70 3ksc s VAL 127 Ca 0.51 1.31 0.01 0.00 0.00 0.00 0.00 61.98 63.81 3ksc s VAL 127 Cb -0.22 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.32 3ksc s VAL 127 CO 0.29 0.24 -0.04 0.12 0.00 0.00 0.00 175.10 175.71 3ksc s PHE 128 N -0.32 0.36 0.02 5.22 5.36 -0.44 -1.47 117.98 126.71 3ksc s PHE 128 Ca 0.51 -0.06 -0.01 0.00 -0.96 0.00 0.00 56.93 56.41 3ksc s PHE 128 Cb -0.33 -0.26 -0.02 0.00 -0.34 0.00 0.00 43.02 42.07 3ksc s PHE 128 CO 0.38 -0.03 -0.01 1.67 -1.46 0.00 0.00 175.22 175.78 3ksc s TRP 129 N 0.06 0.24 0.11 10.12 1.48 -0.67 -1.92 118.94 128.36 3ksc s TRP 129 Ca -0.00 -0.50 0.07 0.00 -1.06 0.00 0.00 56.10 54.61 3ksc s TRP 129 Cb -0.03 -0.18 -0.04 0.00 -1.16 0.00 0.00 33.47 32.06 3ksc s TRP 129 CO -0.00 -0.21 -0.18 -1.64 -4.06 0.00 0.00 176.95 170.85 3ksc s MET 130 N -1.54 1.07 -0.02 3.25 -1.94 -1.12 -1.49 119.30 117.51 3ksc s MET 130 Ca -0.15 -1.16 -0.02 0.00 -1.71 0.00 0.00 55.69 52.65 3ksc s MET 130 Cb -0.09 -1.20 0.01 0.00 2.01 0.00 0.00 34.83 35.56 3ksc s MET 130 CO -0.01 0.27 0.06 -0.47 -0.01 0.00 0.00 175.02 174.86 3ksc s TYR 131 N -1.44 -0.05 -0.27 -0.03 5.04 0.16 -0.68 117.35 120.09 3ksc s TYR 131 Ca 0.06 0.18 -0.04 0.00 -2.44 0.00 0.00 57.07 54.83 3ksc s TYR 131 Cb -0.09 -0.04 0.02 0.00 0.35 0.00 0.00 41.96 42.20 3ksc s TYR 131 CO 0.04 -0.05 0.00 1.21 -1.34 0.00 0.00 175.55 175.41 3ksc s ASN 132 N 0.34 4.68 -0.16 4.32 2.47 -0.68 -0.83 114.94 125.08 3ksc s ASN 132 Ca -0.03 -0.79 0.16 0.00 0.42 0.00 0.00 52.86 52.62 3ksc s ASN 132 Cb -0.04 -1.76 0.57 0.00 -1.45 0.00 0.00 41.25 38.57 3ksc s ASN 132 CO -0.01 -0.15 1.48 -0.90 -3.72 0.00 0.00 177.10 173.80 3ksc n ASP 133 N 4.76 4.19 -4.43 -4.21 3.85 -1.26 -0.20 116.55 119.25 3ksc n ASP 133 Ca -0.16 -2.80 -0.22 0.00 -0.71 0.00 0.00 54.79 50.91 3ksc n ASP 133 Cb 0.47 -0.53 -0.10 0.00 -1.35 0.00 0.00 41.12 39.61 3ksc n ASP 133 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 3ksc s GLN 134 N -2.45 1.67 0.09 0.11 -0.21 -1.26 -4.78 119.66 112.82 3ksc s GLN 134 Ca 0.43 -1.93 -0.14 0.00 0.02 0.00 0.00 55.36 53.74 3ksc s GLN 134 Cb 0.32 -0.83 -0.16 0.00 1.00 0.00 0.00 33.01 33.35 3ksc s GLN 134 CO 0.13 -0.21 1.30 -0.44 -2.12 0.00 0.00 175.29 173.94 3ksc h ASP 135 N 2.10 0.88 -2.42 5.90 3.45 -1.95 -3.36 116.42 121.02 3ksc h ASP 135 Ca -0.40 -0.62 -0.53 0.00 0.43 0.00 0.00 57.03 55.90 3ksc h ASP 135 Cb 1.25 -0.26 0.02 0.00 -0.56 0.00 0.00 39.33 39.78 3ksc h ASP 135 CO 0.68 1.36 1.20 -0.89 -1.57 0.00 0.00 179.24 180.02 3ksc s THR 136 N -3.77 2.95 0.37 0.35 2.01 -1.26 -4.53 115.64 111.76 3ksc s THR 136 Ca -0.11 0.08 -0.28 0.00 0.31 0.00 0.00 61.69 61.69 3ksc s THR 136 Cb 0.08 -3.05 -0.10 0.00 0.01 0.00 0.00 72.50 69.44 3ksc s THR 136 CO 0.89 -0.01 1.40 -2.84 -0.69 0.00 0.00 174.62 173.38 3ksc s PRO 137 N 4.03 4.15 0.14 4.92 0.02 -1.26 -4.71 135.00 142.29 3ksc s PRO 137 Ca 0.86 2.40 -0.30 0.00 0.02 0.00 0.00 61.00 63.98 3ksc s PRO 137 Cb -0.43 -2.96 -0.07 0.00 0.02 0.00 0.00 34.50 31.07 3ksc s PRO 137 CO 0.40 -0.43 0.99 0.08 -0.33 0.00 0.00 177.00 177.71 3ksc s VAL 138 N -1.15 4.31 -0.16 3.83 1.01 -0.10 -3.98 120.40 124.15 3ksc s VAL 138 Ca 0.52 1.97 0.00 0.00 0.00 0.00 0.00 61.98 64.47 3ksc s VAL 138 Cb -0.43 -4.26 0.03 0.00 0.00 0.00 0.00 36.38 31.73 3ksc s VAL 138 CO 0.58 0.33 -0.10 -0.63 0.00 0.00 0.00 175.10 175.27 3ksc s ILE 139 N -0.18 1.45 -0.12 2.22 1.01 0.41 -0.43 121.20 125.56 3ksc s ILE 139 Ca 0.47 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.41 3ksc s ILE 139 Cb -0.25 -1.47 0.02 0.00 0.01 0.00 0.00 42.46 40.76 3ksc s ILE 139 CO 0.31 0.29 -0.15 0.00 0.00 0.00 0.00 174.94 175.38 3ksc s ALA 140 N 1.51 1.78 -0.17 9.38 0.00 0.05 0.29 121.76 134.59 3ksc s ALA 140 Ca 0.02 -0.80 -0.08 0.00 0.00 0.00 0.00 51.96 51.10 3ksc s ALA 140 Cb -0.14 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 3ksc s ALA 140 CO -0.09 -0.15 0.08 0.14 0.00 0.00 0.00 175.76 175.74 3ksc s VAL 141 N 1.10 4.94 -0.08 0.00 -7.23 -0.33 -0.32 120.40 118.49 3ksc s VAL 141 Ca -0.04 0.02 0.03 0.00 -1.81 0.00 0.00 61.98 60.18 3ksc s VAL 141 Cb -0.14 -3.22 -0.02 0.00 0.56 0.00 0.00 36.38 33.56 3ksc s VAL 141 CO -0.04 0.48 -0.17 -0.44 -0.31 0.00 0.00 175.10 174.63 3ksc s SER 142 N 0.16 3.79 -0.25 4.85 0.01 0.10 -0.40 113.70 121.96 3ksc s SER 142 Ca 0.06 -0.32 -0.03 0.00 1.31 0.00 0.00 55.95 56.97 3ksc s SER 142 Cb -0.12 -1.10 0.02 0.00 0.21 0.00 0.00 66.02 65.03 3ksc s SER 142 CO 0.00 0.26 -0.04 -0.22 0.41 0.00 0.00 173.24 173.65 3ksc s LEU 143 N -0.23 3.19 -0.26 2.44 0.20 0.67 -1.74 118.68 122.95 3ksc s LEU 143 Ca 0.00 -0.74 -0.15 0.00 0.69 0.00 0.00 54.13 53.94 3ksc s LEU 143 Cb -0.13 -1.71 -0.04 0.00 -0.43 0.00 0.00 46.19 43.88 3ksc s LEU 143 CO 0.03 -0.11 0.36 -0.89 -0.29 0.00 0.00 176.35 175.45 3ksc s THR 144 N 1.38 5.19 -1.20 3.68 2.01 -0.42 -1.22 115.64 125.06 3ksc s THR 144 Ca 0.02 0.55 -0.11 0.00 0.31 0.00 0.00 61.69 62.46 3ksc s THR 144 Cb -0.16 -3.68 0.20 0.00 0.01 0.00 0.00 72.50 68.87 3ksc s THR 144 CO -0.03 0.18 1.52 -0.67 -0.69 0.00 0.00 174.62 174.92 3ksc n ASP 145 N 5.21 5.37 -0.33 3.53 2.03 0.11 -1.70 116.55 130.78 3ksc n ASP 145 Ca -0.09 -3.08 0.04 0.00 0.52 0.00 0.00 54.79 52.18 3ksc n ASP 145 Cb 0.51 -1.48 0.19 0.00 -0.72 0.00 0.00 41.12 39.61 3ksc n ASP 145 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3ksc h ILE 146 N 4.08 0.96 0.00 5.18 2.04 -1.76 -1.16 117.51 126.85 3ksc h ILE 146 Ca 0.30 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3ksc h ILE 146 Cb 0.77 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3ksc h ILE 146 CO 1.33 0.17 0.00 -2.11 0.00 0.00 0.00 178.15 177.54 3ksc n ARG 147 N -4.66 0.26 -1.69 2.37 1.85 -0.50 -4.71 116.66 109.58 3ksc n ARG 147 Ca 0.15 0.11 -0.43 0.00 -1.00 0.00 0.00 57.85 56.69 3ksc n ARG 147 Cb 0.27 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.18 3ksc n ARG 147 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3ksc n SER 148 N -1.19 2.72 0.31 2.89 2.88 -0.44 -4.84 113.62 115.94 3ksc n SER 148 Ca 0.07 1.21 0.21 0.00 -1.33 0.00 0.00 58.87 59.03 3ksc n SER 148 Cb 0.08 -1.48 1.09 0.00 -0.75 0.00 0.00 64.21 63.16 3ksc n SER 148 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 3ksc h SER 149 N 2.54 0.00 0.27 -3.46 0.87 -1.89 -1.49 113.55 110.39 3ksc h SER 149 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 3ksc h SER 149 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 3ksc h SER 149 CO 0.63 0.00 -0.12 0.59 -0.53 0.00 0.00 176.83 177.40 3ksc n ASN 150 N -2.95 0.65 -4.36 6.23 3.02 -1.26 -4.62 115.26 111.97 3ksc n ASN 150 Ca -0.02 -0.76 -0.45 0.00 -0.03 0.00 0.00 54.58 53.32 3ksc n ASN 150 Cb 0.08 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.18 3ksc n ASN 150 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3ksc s ASN 151 N -2.39 6.19 0.00 6.41 2.47 -0.56 -4.85 114.94 122.20 3ksc s ASN 151 Ca 0.30 -1.49 0.19 0.00 0.42 0.00 0.00 52.86 52.28 3ksc s ASN 151 Cb 0.20 -2.26 0.53 0.00 -1.45 0.00 0.00 41.25 38.27 3ksc s ASN 151 CO 0.46 -0.97 1.43 0.00 -3.72 0.00 0.00 177.10 174.30 3ksc n GLN 152 N 5.88 2.15 0.00 0.43 6.02 -1.26 -4.80 117.38 125.79 3ksc n GLN 152 Ca -0.11 -1.76 0.00 0.00 -0.01 0.00 0.00 57.00 55.13 3ksc n GLN 152 Cb 0.42 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.25 3ksc n GLN 152 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3ksc n LEU 153 N 0.94 0.00 0.00 1.08 4.77 -1.26 -5.14 117.00 117.39 3ksc n LEU 153 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3ksc n LEU 153 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3ksc n LEU 153 CO 0.13 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.29 3ksc n ASP 154 N 0.00 1.66 -0.01 -1.43 5.68 -1.26 -5.04 116.55 116.15 3ksc n ASP 154 Ca 0.00 -0.08 0.15 0.00 -0.50 0.00 0.00 54.79 54.36 3ksc n ASP 154 Cb 0.00 0.00 0.78 0.00 -1.14 0.00 0.00 41.12 40.76 3ksc n ASP 154 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ksc n GLN 155 N -0.01 0.56 -2.84 0.11 6.02 -1.26 -4.82 117.38 115.14 3ksc n GLN 155 Ca 0.00 -0.02 -0.41 0.00 -0.01 0.00 0.00 57.00 56.55 3ksc n GLN 155 Cb 0.00 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.72 3ksc n GLN 155 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3ksc s MET 156 N -2.46 4.47 0.35 -1.09 -1.94 -1.26 -4.97 119.30 112.40 3ksc s MET 156 Ca 0.32 1.19 -0.28 0.00 -1.71 0.00 0.00 55.69 55.21 3ksc s MET 156 Cb 0.21 -3.48 -0.11 0.00 2.01 0.00 0.00 34.83 33.46 3ksc s MET 156 CO 0.45 -0.08 1.44 -1.25 -0.01 0.00 0.00 175.02 175.56 3ksc s PRO 157 N 1.22 4.19 0.00 2.03 0.04 -1.26 -5.03 135.00 136.20 3ksc s PRO 157 Ca 0.45 2.45 0.02 0.00 0.04 0.00 0.00 61.00 63.96 3ksc s PRO 157 Cb -0.19 -3.01 -0.01 0.00 0.04 0.00 0.00 34.50 31.33 3ksc s PRO 157 CO 0.22 -0.43 -0.06 1.03 0.04 0.00 0.00 177.00 177.79 3ksc s ARG 158 N -1.81 0.50 -0.02 4.56 0.52 -1.26 -4.77 118.95 116.66 3ksc s ARG 158 Ca 0.53 -0.32 0.05 0.00 -0.52 0.00 0.00 55.73 55.47 3ksc s ARG 158 Cb -0.44 -0.44 -0.01 0.00 0.52 0.00 0.00 34.95 34.57 3ksc s ARG 158 CO 0.58 0.12 -0.17 1.03 0.02 0.00 0.00 175.30 176.87 3ksc s ARG 159 N -0.41 1.46 -0.29 3.54 0.52 -1.26 -4.10 118.95 118.40 3ksc s ARG 159 Ca 0.00 -0.62 -0.04 0.00 -0.52 0.00 0.00 55.73 54.55 3ksc s ARG 159 Cb -0.04 -1.39 0.03 0.00 0.52 0.00 0.00 34.95 34.07 3ksc s ARG 159 CO -0.00 0.36 0.02 -0.06 0.02 0.00 0.00 175.30 175.64 3ksc s PHE 160 N -0.36 3.15 -0.09 -0.53 0.40 0.16 -4.83 117.98 115.89 3ksc s PHE 160 Ca 0.06 -1.38 -0.18 0.00 -0.60 0.00 0.00 56.93 54.82 3ksc s PHE 160 Cb -0.07 -2.17 -0.05 0.00 0.51 0.00 0.00 43.02 41.25 3ksc s PHE 160 CO -0.00 -0.69 0.49 0.71 0.70 0.00 0.00 175.22 176.43 3ksc s TYR 161 N 1.39 3.56 0.24 0.36 2.02 -1.26 -0.91 117.35 122.75 3ksc s TYR 161 Ca -0.00 0.95 0.30 0.00 -0.37 0.00 0.00 57.07 57.95 3ksc s TYR 161 Cb -0.18 -2.54 1.34 0.00 -0.40 0.00 0.00 41.96 40.19 3ksc s TYR 161 CO -0.00 0.25 1.99 -0.07 -1.57 0.00 0.00 175.55 176.14 3ksc h LEU 162 N 6.33 0.00 -8.11 -1.29 3.38 -1.88 -2.72 115.31 111.03 3ksc h LEU 162 Ca -0.43 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.45 3ksc h LEU 162 Cb 1.19 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.82 3ksc h LEU 162 CO 0.73 0.10 -0.24 0.00 0.09 0.00 0.00 178.44 179.12 3ksc s ALA 163 N -3.84 -0.11 0.00 1.53 0.00 -1.26 -4.58 121.76 113.51 3ksc s ALA 163 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.10 3ksc s ALA 163 Cb 0.11 0.95 0.00 0.00 0.00 0.00 0.00 23.12 24.18 3ksc s ALA 163 CO 0.57 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 176.02 3ksc n GLY 164 N -0.28 -1.80 2.62 0.00 0.00 -1.26 -4.75 105.19 99.72 3ksc n GLY 164 Ca -0.05 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 3ksc n GLY 164 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ksc n ASN 165 N 0.21 -0.09 -4.32 1.61 5.15 -1.26 -4.10 115.26 112.45 3ksc n ASN 165 Ca 0.00 -2.75 -0.20 0.00 -0.60 0.00 0.00 54.58 51.03 3ksc n ASN 165 Cb 0.00 0.19 -0.11 0.00 -0.53 0.00 0.00 39.78 39.34 3ksc n ASN 165 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 3ksc s HIS 166 N -1.63 1.72 0.49 1.20 -3.43 -1.26 -4.21 115.29 108.17 3ksc s HIS 166 Ca 0.26 -0.51 -0.21 0.00 -0.80 0.00 0.00 55.06 53.80 3ksc s HIS 166 Cb 0.41 -0.85 -0.08 0.00 -1.43 0.00 0.00 32.58 30.64 3ksc s HIS 166 CO -0.03 0.31 1.08 -1.21 -2.00 0.00 0.00 174.74 172.90 3ksc s GLU 167 N -3.03 3.72 0.37 -0.38 2.02 -1.26 -4.71 118.70 115.43 3ksc s GLU 167 Ca 0.17 1.51 -0.25 0.00 0.02 0.00 0.00 54.97 56.42 3ksc s GLU 167 Cb -0.04 -2.18 -0.09 0.00 0.10 0.00 0.00 34.13 31.92 3ksc s GLU 167 CO 0.06 -0.53 1.03 -1.14 0.02 0.00 0.00 175.26 174.71 3ksc s GLN 168 N -3.07 4.28 0.58 1.61 -0.44 -1.26 -4.94 119.66 116.43 3ksc s GLN 168 Ca 0.67 1.50 0.34 0.00 -2.50 0.00 0.00 55.36 55.37 3ksc s GLN 168 Cb -0.21 -2.64 1.40 0.00 -1.64 0.00 0.00 33.01 29.92 3ksc s GLN 168 CO 0.25 -0.03 1.67 0.93 0.50 0.00 0.00 175.29 178.61 3ksc h GLU 169 N 2.73 0.00 -0.02 1.67 3.07 -1.96 -1.94 114.58 118.13 3ksc h GLU 169 Ca -0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 3ksc h GLU 169 Cb 1.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 3ksc h GLU 169 CO 0.63 0.00 -0.04 1.19 -1.40 0.00 0.00 179.01 179.39 3ksc n PHE 170 N -3.77 0.00 -0.31 4.33 3.72 -1.26 -4.49 117.46 115.67 3ksc n PHE 170 Ca 0.22 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.68 3ksc n PHE 170 Cb 1.25 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 40.00 3ksc n PHE 170 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3ksc h LEU 171 N 2.63 0.70 0.00 4.37 6.46 -1.66 -1.85 115.31 125.96 3ksc h LEU 171 Ca 0.00 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 3ksc h LEU 171 Cb 0.58 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 3ksc h LEU 171 CO 0.00 0.36 0.00 0.00 -0.62 0.00 0.00 178.44 178.18 3ksc n GLN 172 N -4.75 0.08 0.00 1.25 10.64 -1.26 -1.69 117.38 121.65 3ksc n GLN 172 Ca 0.16 0.24 0.08 0.00 -1.83 0.00 0.00 57.00 55.65 3ksc n GLN 172 Cb 0.35 -1.50 0.06 0.00 -0.86 0.00 0.00 30.24 28.29 3ksc n GLN 172 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3ksc n TYR 173 N -1.31 0.00 0.00 2.61 4.01 -0.70 -5.18 117.16 116.59 3ksc n TYR 173 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 3ksc n TYR 173 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 3ksc n TYR 173 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3ksc n GLN 174 N 0.76 0.00 0.00 -0.72 6.02 -0.68 -4.92 117.38 117.83 3ksc n GLN 174 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 3ksc n GLN 174 Cb 0.39 -0.06 0.00 0.00 1.02 0.00 0.00 30.24 31.59 3ksc n GLN 174 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ksc n GLY 187 N 2.75 0.00 0.00 1.08 0.00 -1.26 -5.12 105.19 102.63 3ksc n GLY 187 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ksc n GLY 187 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ksc n ASN 188 N 0.00 0.38 -4.94 1.61 4.13 -1.26 -4.89 115.26 110.29 3ksc n ASN 188 Ca 0.00 -0.75 -0.23 0.00 1.68 0.00 0.00 54.58 55.28 3ksc n ASN 188 Cb 0.00 0.21 0.05 0.00 -1.54 0.00 0.00 39.78 38.50 3ksc n ASN 188 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3ksc s ASN 189 N -0.21 5.05 0.41 6.41 6.03 -1.26 -4.84 114.94 126.53 3ksc s ASN 189 Ca 0.00 0.17 0.09 0.00 -1.03 0.00 0.00 52.86 52.10 3ksc s ASN 189 Cb 0.00 -0.94 0.88 0.00 -3.03 0.00 0.00 41.25 38.16 3ksc s ASN 189 CO 0.00 -1.36 2.00 0.16 -2.03 0.00 0.00 177.10 175.87 3ksc h ILE 190 N -0.23 1.12 -0.04 0.54 -0.00 -1.73 -2.21 117.51 114.96 3ksc h ILE 190 Ca -0.43 -0.43 -0.11 0.00 -0.00 0.00 0.00 64.86 63.89 3ksc h ILE 190 Cb 1.30 0.89 -0.01 0.00 -0.00 0.00 0.00 36.82 39.00 3ksc h ILE 190 CO 0.55 0.15 -0.49 -0.26 -0.00 0.00 0.00 178.15 178.10 3ksc h PHE 191 N 0.33 0.13 0.00 0.16 0.04 -1.85 -3.04 116.94 112.71 3ksc h PHE 191 Ca 0.08 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 3ksc h PHE 191 Cb 0.15 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.27 3ksc h PHE 191 CO 0.00 0.58 -0.07 0.66 -0.60 0.00 0.00 178.31 178.88 3ksc h SER 192 N 0.08 0.00 0.06 2.17 4.64 -1.63 -2.44 113.55 116.43 3ksc h SER 192 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ksc h SER 192 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3ksc h SER 192 CO 0.07 0.07 -0.01 0.61 -0.87 0.00 0.00 176.83 176.70 3ksc n GLY 193 N -0.16 -0.88 3.77 -0.77 0.00 -1.15 -4.74 105.19 101.27 3ksc n GLY 193 Ca -0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 3ksc n GLY 193 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ksc s PHE 194 N -2.07 3.17 0.57 1.61 0.08 -0.92 -5.09 117.98 115.32 3ksc s PHE 194 Ca 0.44 0.05 -0.21 0.00 0.12 0.00 0.00 56.93 57.33 3ksc s PHE 194 Cb 0.22 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 41.04 3ksc s PHE 194 CO 0.38 0.52 1.35 0.15 -0.10 0.00 0.00 175.22 177.52 3ksc s LYS 195 N -2.54 3.02 0.38 0.44 1.02 -1.26 -4.91 119.74 115.88 3ksc s LYS 195 Ca 0.29 2.21 0.09 0.00 0.02 0.00 0.00 55.97 58.59 3ksc s LYS 195 Cb -0.12 -2.18 0.77 0.00 -0.52 0.00 0.00 37.83 35.78 3ksc s LYS 195 CO 0.22 -1.28 1.91 0.00 -0.92 0.00 0.00 175.35 175.28 3ksc h ARG 196 N 1.28 0.24 -0.74 1.68 3.08 -1.95 -2.64 114.38 115.33 3ksc h ARG 196 Ca -0.51 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.43 3ksc h ARG 196 Cb 1.31 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.29 3ksc h ARG 196 CO 0.56 0.39 0.27 -0.44 -1.07 0.00 0.00 179.97 179.68 3ksc h ASP 197 N 0.23 1.05 -0.20 7.04 3.32 -1.98 0.47 116.42 126.36 3ksc h ASP 197 Ca 0.05 -0.19 0.03 0.00 0.02 0.00 0.00 57.03 56.93 3ksc h ASP 197 Cb 0.39 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3ksc h ASP 197 CO 0.02 0.96 0.03 -0.26 -1.72 0.00 0.00 179.24 178.27 3ksc h PHE 198 N 1.09 0.06 -0.39 4.55 -1.00 -1.85 -1.66 116.94 117.73 3ksc h PHE 198 Ca 0.24 0.01 -0.14 0.00 2.81 0.00 0.00 57.97 60.90 3ksc h PHE 198 Cb 0.26 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 3ksc h PHE 198 CO 0.02 0.01 -0.30 -0.07 -1.61 0.00 0.00 178.31 176.36 3ksc h LEU 199 N 0.11 0.90 -0.61 1.54 4.07 -1.24 0.60 115.31 120.68 3ksc h LEU 199 Ca 0.09 -0.37 0.06 0.00 0.08 0.00 0.00 57.88 57.74 3ksc h LEU 199 Cb 0.09 -0.25 -0.05 0.00 1.08 0.00 0.00 40.66 41.53 3ksc h LEU 199 CO -0.12 1.13 0.32 -0.33 -1.08 0.00 0.00 178.44 178.36 3ksc h GLU 200 N 0.73 0.59 0.07 1.13 5.08 0.11 -1.07 114.58 121.20 3ksc h GLU 200 Ca 0.08 -0.04 -0.26 0.00 -1.00 0.00 0.00 59.36 58.14 3ksc h GLU 200 Cb 0.86 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.99 3ksc h GLU 200 CO 0.08 0.39 -1.12 -0.44 -1.00 0.00 0.00 179.01 176.92 3ksc h ASP 201 N 0.61 0.65 -0.10 1.42 3.32 -1.18 0.82 116.42 121.96 3ksc h ASP 201 Ca 0.27 -0.59 -0.13 0.00 0.02 0.00 0.00 57.03 56.61 3ksc h ASP 201 Cb 0.18 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3ksc h ASP 201 CO -0.18 1.41 -0.36 0.00 -1.72 0.00 0.00 179.24 178.38 3ksc h ALA 202 N 0.53 0.86 0.00 3.45 0.00 -0.68 -3.17 119.26 120.25 3ksc h ALA 202 Ca -0.13 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3ksc h ALA 202 Cb 1.79 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.46 3ksc h ALA 202 CO 0.20 0.64 -1.65 1.19 0.00 0.00 0.00 179.25 179.63 3ksc n PHE 203 N -4.05 0.12 -3.29 0.00 3.72 -0.42 -5.01 117.46 108.52 3ksc n PHE 203 Ca -0.01 0.04 -0.16 0.00 -0.05 0.00 0.00 57.45 57.27 3ksc n PHE 203 Cb 0.49 -0.46 0.08 0.00 -0.94 0.00 0.00 39.48 38.65 3ksc n PHE 203 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3ksc n ASN 204 N -2.16 -3.78 -4.21 4.37 5.15 0.24 -5.04 115.26 109.84 3ksc n ASN 204 Ca -0.02 -0.63 -0.12 0.00 -0.60 0.00 0.00 54.58 53.21 3ksc n ASN 204 Cb 0.52 -4.97 -0.10 0.00 -0.53 0.00 0.00 39.78 34.70 3ksc n ASN 204 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3ksc s VAL 205 N -3.36 0.56 1.01 3.44 -7.23 -0.96 -5.04 120.40 108.81 3ksc s VAL 205 Ca 0.17 -1.96 -0.12 0.00 -1.81 0.00 0.00 61.98 58.26 3ksc s VAL 205 Cb -0.02 -2.04 0.19 0.00 0.56 0.00 0.00 36.38 35.07 3ksc s VAL 205 CO 0.70 -0.53 1.09 0.54 -0.31 0.00 0.00 175.10 176.59 3ksc s ASN 206 N -3.13 2.49 0.53 4.85 2.20 -1.26 -4.60 114.94 116.03 3ksc s ASN 206 Ca 0.22 1.26 0.26 0.00 -0.94 0.00 0.00 52.86 53.67 3ksc s ASN 206 Cb 0.06 -1.94 1.49 0.00 -2.00 0.00 0.00 41.25 38.86 3ksc s ASN 206 CO 0.02 -3.22 2.11 -0.09 -2.94 0.00 0.00 177.10 172.98 3ksc h ARG 207 N -1.96 0.00 -0.20 3.55 2.43 -1.98 -2.89 114.38 113.33 3ksc h ARG 207 Ca -0.55 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.48 3ksc h ARG 207 Cb 1.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 3ksc h ARG 207 CO 0.56 0.09 -0.43 1.25 -1.51 0.00 0.00 179.97 179.93 3ksc h HIS 208 N 0.00 0.82 -0.54 2.20 2.76 -1.99 -0.60 115.15 117.80 3ksc h HIS 208 Ca -0.00 -0.30 -0.01 0.00 -2.20 0.00 0.00 60.37 57.85 3ksc h HIS 208 Cb 0.23 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.02 3ksc h HIS 208 CO 0.00 1.07 0.29 0.82 -1.30 0.00 0.00 177.93 178.81 3ksc h ILE 209 N 0.34 1.19 -0.54 6.26 2.04 -1.88 -1.92 117.51 122.99 3ksc h ILE 209 Ca 0.00 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 3ksc h ILE 209 Cb 1.04 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 3ksc h ILE 209 CO 0.10 0.20 0.25 0.58 0.00 0.00 0.00 178.15 179.27 3ksc h VAL 210 N 0.72 1.19 -0.31 1.67 2.07 -1.44 0.27 116.25 120.41 3ksc h VAL 210 Ca 0.19 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 3ksc h VAL 210 Cb 0.06 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3ksc h VAL 210 CO -0.03 0.22 0.15 0.44 0.02 0.00 0.00 177.57 178.37 3ksc h ASP 211 N 0.76 0.41 -0.52 0.57 3.32 -0.63 0.81 116.42 121.14 3ksc h ASP 211 Ca 0.19 -0.13 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 3ksc h ASP 211 Cb 0.10 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3ksc h ASP 211 CO -0.02 0.42 -0.13 0.03 -1.72 0.00 0.00 179.24 177.82 3ksc h ARG 212 N 0.36 1.01 -0.80 3.56 2.47 -1.04 -1.79 114.38 118.17 3ksc h ARG 212 Ca 0.11 -0.39 0.16 0.00 -1.26 0.00 0.00 59.98 58.60 3ksc h ARG 212 Cb 0.13 -0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 28.33 3ksc h ARG 212 CO -0.01 1.07 0.53 1.25 0.56 0.00 0.00 179.97 183.37 3ksc h LEU 213 N 0.88 0.42 -1.40 3.04 5.85 -0.17 -1.77 115.31 122.16 3ksc h LEU 213 Ca 0.13 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3ksc h LEU 213 Cb 0.70 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3ksc h LEU 213 CO 0.05 0.21 0.00 0.00 -0.34 0.00 0.00 178.44 178.36 3ksc n GLN 214 N -4.49 1.95 -1.82 1.25 6.02 0.25 -4.71 117.38 115.82 3ksc n GLN 214 Ca 0.16 -1.39 -0.17 0.00 -0.01 0.00 0.00 57.00 55.58 3ksc n GLN 214 Cb 0.56 -1.46 -0.05 0.00 1.02 0.00 0.00 30.24 30.31 3ksc n GLN 214 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ksc n GLY 215 N 1.25 0.87 0.10 1.08 0.00 -0.66 -4.53 105.19 103.30 3ksc n GLY 215 Ca 0.17 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 3ksc n GLY 215 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ksc h ARG 216 N 0.00 -0.04 -0.01 1.61 3.08 -1.71 -2.99 114.38 114.32 3ksc h ARG 216 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.69 3ksc h ARG 216 Cb 1.18 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3ksc h ARG 216 CO 0.49 -0.03 -0.06 0.09 -1.07 0.00 0.00 179.97 179.39 3ksc n ASN 217 N -5.18 1.23 -4.72 7.04 3.02 -1.26 -4.89 115.26 110.50 3ksc n ASN 217 Ca -0.04 -1.28 -0.42 0.00 -0.03 0.00 0.00 54.58 52.81 3ksc n ASN 217 Cb 0.11 0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 3ksc n ASN 217 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3ksc s GLU 218 N -2.14 4.57 0.09 3.52 2.12 -1.13 -5.01 118.70 120.72 3ksc s GLU 218 Ca 0.35 1.49 -0.31 0.00 0.36 0.00 0.00 54.97 56.87 3ksc s GLU 218 Cb 0.21 -3.42 -0.06 0.00 0.26 0.00 0.00 34.13 31.11 3ksc s GLU 218 CO 0.39 -0.02 1.22 0.16 -0.54 0.00 0.00 175.26 176.46 3ksc s ASP 219 N 0.76 7.05 0.00 -1.70 -4.77 -1.26 -4.81 116.67 111.95 3ksc s ASP 219 Ca 0.52 2.10 0.00 0.00 -3.30 0.00 0.00 52.55 51.86 3ksc s ASP 219 Cb -0.23 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.01 3ksc s ASP 219 CO 0.29 -0.47 0.35 -1.84 0.70 0.00 0.00 175.17 174.20 3ksc n GLU 220 N 3.64 0.41 -0.01 2.11 0.00 -1.26 -1.18 120.64 124.36 3ksc n GLU 220 Ca 0.08 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.35 3ksc n GLU 220 Cb 0.46 -1.06 -0.15 0.00 0.00 0.00 0.00 31.44 30.68 3ksc n GLU 220 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3ksc n GLU 221 N -0.25 0.46 -0.09 3.44 4.71 -1.26 -4.39 120.64 123.25 3ksc n GLU 221 Ca 0.00 -0.12 -0.06 0.00 -0.01 0.00 0.00 57.16 56.97 3ksc n GLU 221 Cb 0.03 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 28.98 3ksc n GLU 221 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 3ksc h LYS 222 N 0.00 0.11 0.00 3.49 3.64 -1.50 -3.27 116.57 119.03 3ksc h LYS 222 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3ksc h LYS 222 Cb 0.79 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3ksc h LYS 222 CO 0.00 0.07 0.00 0.41 -2.27 0.00 0.00 179.45 177.66 3ksc n GLY 223 N -1.24 -1.84 0.24 5.01 0.00 -1.26 -1.13 105.19 104.97 3ksc n GLY 223 Ca 0.01 -1.34 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 3ksc n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ksc h ALA 224 N -0.21 0.60 -2.92 4.61 0.00 -1.92 -3.42 119.26 116.01 3ksc h ALA 224 Ca 0.00 -0.28 -0.65 0.00 0.00 0.00 0.00 54.91 53.98 3ksc h ALA 224 Cb 0.00 -0.16 -0.21 0.00 0.00 0.00 0.00 17.79 17.42 3ksc h ALA 224 CO 0.00 0.41 -0.58 0.42 0.00 0.00 0.00 179.25 179.49 3ksc s ILE 225 N -4.98 4.63 0.02 0.00 1.01 -1.26 -1.73 121.20 118.89 3ksc s ILE 225 Ca -0.13 -0.13 0.08 0.00 0.00 0.00 0.00 60.65 60.48 3ksc s ILE 225 Cb 0.11 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 3ksc s ILE 225 CO 0.81 0.27 -0.23 -0.69 0.00 0.00 0.00 174.94 175.10 3ksc s VAL 226 N 1.65 2.42 -0.16 2.92 1.01 0.53 0.06 120.40 128.82 3ksc s VAL 226 Ca 0.06 -1.22 -0.29 0.00 0.00 0.00 0.00 61.98 60.53 3ksc s VAL 226 Cb -0.16 -1.95 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 3ksc s VAL 226 CO 0.06 0.41 1.03 -0.54 0.00 0.00 0.00 175.10 176.07 3ksc s LYS 227 N -1.15 4.34 -0.51 2.72 -0.14 -1.26 0.85 119.74 124.59 3ksc s LYS 227 Ca 0.12 1.39 -0.21 0.00 -1.36 0.00 0.00 55.97 55.92 3ksc s LYS 227 Cb -0.10 -3.59 0.05 0.00 -1.68 0.00 0.00 37.83 32.50 3ksc s LYS 227 CO 0.02 -0.47 0.71 0.08 -0.76 0.00 0.00 175.35 174.93 3ksc s VAL 228 N 2.60 4.74 0.11 3.17 1.01 0.38 -4.95 120.40 127.46 3ksc s VAL 228 Ca 0.47 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 62.04 3ksc s VAL 228 Cb -0.17 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 3ksc s VAL 228 CO 0.12 -0.86 1.06 0.29 0.00 0.00 0.00 175.10 175.71 3ksc n LYS 229 N 6.52 -0.29 -0.76 2.72 4.01 -1.26 -0.35 118.16 128.75 3ksc n LYS 229 Ca -0.04 1.04 0.02 0.00 -0.51 0.00 0.00 58.31 58.82 3ksc n LYS 229 Cb 0.46 -1.52 0.30 0.00 -0.51 0.00 0.00 35.03 33.76 3ksc n LYS 229 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3ksc n GLY 230 N -1.18 3.84 0.62 0.72 0.00 -1.26 -5.08 105.19 102.86 3ksc n GLY 230 Ca 0.02 -1.03 0.04 0.00 0.00 0.00 0.00 46.02 45.05 3ksc n GLY 230 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ksc n GLY 231 N -0.27 -2.17 3.94 -0.02 0.00 0.53 -4.99 105.19 102.21 3ksc n GLY 231 Ca 0.30 -1.45 -0.21 0.00 0.00 0.00 0.00 46.02 44.67 3ksc n GLY 231 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ksc s LEU 232 N 0.00 3.30 -1.16 0.99 1.43 -1.26 -4.96 118.68 117.02 3ksc s LEU 232 Ca 0.00 -0.77 -0.09 0.00 -1.03 0.00 0.00 54.13 52.25 3ksc s LEU 232 Cb 0.00 -1.99 0.24 0.00 0.03 0.00 0.00 46.19 44.47 3ksc s LEU 232 CO 0.00 -0.86 1.43 -0.24 0.23 0.00 0.00 176.35 176.91 3ksc n SER 233 N -1.77 5.62 -4.41 2.29 2.88 -1.26 -5.03 113.62 111.94 3ksc n SER 233 Ca 0.06 -3.14 -0.36 0.00 -1.33 0.00 0.00 58.87 54.10 3ksc n SER 233 Cb 0.61 -1.41 0.06 0.00 -0.75 0.00 0.00 64.21 62.72 3ksc n SER 233 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3ksc n ILE 234 N 2.87 1.42 -2.45 2.46 -0.00 -1.26 -4.96 119.36 117.44 3ksc n ILE 234 Ca 0.30 -0.41 0.02 0.00 -0.00 0.00 0.00 62.75 62.67 3ksc n ILE 234 Cb 0.38 -0.60 0.01 0.00 -0.00 0.00 0.00 39.64 39.42 3ksc n ILE 234 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 3ksc n ILE 235 N -2.32 0.05 -2.31 1.39 5.41 -1.26 -5.25 119.36 115.07 3ksc n ILE 235 Ca 0.09 -0.95 0.00 0.00 1.00 0.00 0.00 62.75 62.89 3ksc n ILE 235 Cb 0.50 0.95 0.00 0.00 -0.71 0.00 0.00 39.64 40.38 3ksc n ILE 235 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 3ksc n SER 236 N 0.38 0.07 0.00 4.38 7.64 -1.26 -5.06 113.62 119.77 3ksc n SER 236 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 3ksc n SER 236 Cb 1.08 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.28 3ksc n SER 236 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3ksc n THR 316 N 0.00 0.00 -3.67 0.44 5.66 -1.26 -5.00 114.28 110.45 3ksc n THR 316 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 3ksc n THR 316 Cb 0.00 -0.05 -0.15 0.00 -1.55 0.00 0.00 70.33 68.58 3ksc n THR 316 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3ksc s VAL 317 N -0.05 -0.33 -0.74 1.08 0.11 -1.26 -4.99 120.40 114.23 3ksc s VAL 317 Ca 0.00 0.32 0.16 0.00 -2.93 0.00 0.00 61.98 59.54 3ksc s VAL 317 Cb 0.00 -0.36 0.71 0.00 -1.53 0.00 0.00 36.38 35.20 3ksc s VAL 317 CO 0.00 0.13 1.62 0.00 -3.33 0.00 0.00 175.10 173.53 3ksc n THR 319 N 0.74 0.00 -1.75 0.00 -2.24 -1.26 -5.02 114.28 104.75 3ksc n THR 319 Ca 0.25 -0.27 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 3ksc n THR 319 Cb 0.96 1.14 -0.00 0.00 -2.10 0.00 0.00 70.33 70.33 3ksc n THR 319 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ksc n ALA 320 N -0.46 2.06 -2.01 6.98 0.00 -1.25 -4.96 120.51 120.87 3ksc n ALA 320 Ca 0.06 0.34 -0.41 0.00 0.00 0.00 0.00 53.44 53.43 3ksc n ALA 320 Cb 0.33 -2.37 -0.03 0.00 0.00 0.00 0.00 19.45 17.37 3ksc n ALA 320 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3ksc s LYS 321 N -2.07 4.41 0.00 0.00 2.20 -1.26 -4.92 119.74 118.10 3ksc s LYS 321 Ca 0.54 2.02 0.11 0.00 -0.36 0.00 0.00 55.97 58.27 3ksc s LYS 321 Cb -0.50 -3.20 0.20 0.00 -1.51 0.00 0.00 37.83 32.82 3ksc s LYS 321 CO 0.63 -0.21 1.06 1.28 -0.36 0.00 0.00 175.35 177.75 3ksc n LEU 322 N 2.56 2.45 -3.78 5.43 4.32 -1.26 -4.55 117.00 122.18 3ksc n LEU 322 Ca 0.06 -1.54 -0.13 0.00 -0.02 0.00 0.00 56.01 54.38 3ksc n LEU 322 Cb 0.43 -0.12 -0.09 0.00 -1.62 0.00 0.00 43.42 42.01 3ksc n LEU 322 CO 0.57 0.56 -0.02 -0.60 -1.22 0.00 0.00 177.39 176.68 3ksc s ARG 323 N -0.96 0.55 -0.28 3.23 3.52 -1.26 -1.59 118.95 122.16 3ksc s ARG 323 Ca 0.18 -0.04 -0.18 0.00 -0.13 0.00 0.00 55.73 55.57 3ksc s ARG 323 Cb 0.11 0.25 0.11 0.00 -1.56 0.00 0.00 34.95 33.85 3ksc s ARG 323 CO 0.15 -0.13 0.83 -1.17 -0.81 0.00 0.00 175.30 174.17 3ksc s LEU 324 N -0.89 -0.72 -0.07 -0.88 0.20 -0.52 -4.98 118.68 110.82 3ksc s LEU 324 Ca -0.10 1.19 -0.25 0.00 0.69 0.00 0.00 54.13 55.66 3ksc s LEU 324 Cb -0.05 2.11 -0.03 0.00 -0.43 0.00 0.00 46.19 47.79 3ksc s LEU 324 CO 0.03 -0.19 0.77 0.21 -0.29 0.00 0.00 176.35 176.88 3ksc s ASN 325 N 1.26 7.05 -0.07 3.68 3.84 -1.26 -0.04 114.94 129.40 3ksc s ASN 325 Ca -0.07 1.27 0.11 0.00 0.21 0.00 0.00 52.86 54.37 3ksc s ASN 325 Cb -0.04 -2.45 0.16 0.00 -0.55 0.00 0.00 41.25 38.37 3ksc s ASN 325 CO -0.15 -0.19 1.07 2.30 -2.79 0.00 0.00 177.10 177.34 3ksc n ILE 326 N 3.97 1.44 -1.95 -5.21 -5.35 0.21 -4.82 119.36 107.65 3ksc n ILE 326 Ca 0.01 -1.65 -0.21 0.00 -0.27 0.00 0.00 62.75 60.63 3ksc n ILE 326 Cb 0.51 0.10 0.14 0.00 -1.74 0.00 0.00 39.64 38.64 3ksc n ILE 326 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ksc n GLY 327 N -1.00 -0.78 0.43 3.28 0.00 -1.18 -4.65 105.19 101.30 3ksc n GLY 327 Ca 0.09 -1.79 0.24 0.00 0.00 0.00 0.00 46.02 44.56 3ksc n GLY 327 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ksc h PRO 328 N 0.00 0.25 0.00 1.61 0.11 -1.94 -1.55 132.00 130.48 3ksc h PRO 328 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3ksc h PRO 328 Cb 0.91 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3ksc h PRO 328 CO 0.24 0.17 0.00 -1.13 -0.21 0.00 0.00 178.00 177.07 3ksc n SER 329 N -4.45 0.22 -4.98 -2.05 3.41 -1.26 -4.79 113.62 99.71 3ksc n SER 329 Ca 0.22 0.56 -0.20 0.00 -0.26 0.00 0.00 58.87 59.19 3ksc n SER 329 Cb 0.88 -0.60 0.01 0.00 -0.26 0.00 0.00 64.21 64.24 3ksc n SER 329 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3ksc s SER 330 N -3.40 5.70 -0.12 4.04 1.04 -0.58 -5.05 113.70 115.32 3ksc s SER 330 Ca 0.05 -0.09 -0.29 0.00 0.48 0.00 0.00 55.95 56.10 3ksc s SER 330 Cb 0.08 -1.08 -0.03 0.00 0.10 0.00 0.00 66.02 65.09 3ksc s SER 330 CO 0.27 -0.74 1.40 -0.44 0.98 0.00 0.00 173.24 174.70 3ksc s SER 331 N -4.29 6.85 0.82 7.02 0.01 -1.26 -4.99 113.70 117.86 3ksc s SER 331 Ca 0.51 1.89 -0.11 0.00 1.31 0.00 0.00 55.95 59.54 3ksc s SER 331 Cb -0.10 -2.54 0.08 0.00 0.21 0.00 0.00 66.02 63.68 3ksc s SER 331 CO 0.35 -0.81 1.09 -2.84 0.41 0.00 0.00 173.24 171.44 3ksc s PRO 332 N 3.64 1.91 -0.12 12.44 0.02 -1.26 -4.96 135.00 146.67 3ksc s PRO 332 Ca 0.61 0.74 0.05 0.00 0.02 0.00 0.00 61.00 62.43 3ksc s PRO 332 Cb -0.26 -1.89 -0.24 0.00 0.02 0.00 0.00 34.50 32.14 3ksc s PRO 332 CO 0.20 -1.77 0.36 -0.25 -0.33 0.00 0.00 177.00 175.21 3ksc n ASP 333 N -3.55 1.31 -3.88 2.53 8.00 0.73 -4.90 116.55 116.79 3ksc n ASP 333 Ca 0.07 0.21 -0.19 0.00 0.71 0.00 0.00 54.79 55.59 3ksc n ASP 333 Cb 0.56 -0.22 -0.16 0.00 -0.02 0.00 0.00 41.12 41.27 3ksc n ASP 333 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ksc s ILE 334 N -2.56 0.47 -0.07 0.53 1.01 -0.92 -4.99 121.20 114.68 3ksc s ILE 334 Ca -0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 3ksc s ILE 334 Cb 0.07 -0.51 0.03 0.00 0.01 0.00 0.00 42.46 42.07 3ksc s ILE 334 CO 0.78 0.21 0.04 -0.47 0.00 0.00 0.00 174.94 175.50 3ksc s TYR 335 N 0.89 0.33 -0.13 3.97 5.04 -1.26 -0.53 117.35 125.66 3ksc s TYR 335 Ca -0.12 0.00 0.00 0.00 -2.44 0.00 0.00 57.07 54.52 3ksc s TYR 335 Cb -0.14 -0.64 0.02 0.00 0.35 0.00 0.00 41.96 41.55 3ksc s TYR 335 CO 0.00 -0.29 -0.11 1.21 -1.34 0.00 0.00 175.55 175.02 3ksc s ASN 336 N 2.09 2.40 0.47 4.32 3.84 -0.60 -5.02 114.94 122.43 3ksc s ASN 336 Ca 0.04 -0.39 0.21 0.00 0.21 0.00 0.00 52.86 52.94 3ksc s ASN 336 Cb -0.13 -1.00 1.21 0.00 -0.55 0.00 0.00 41.25 40.78 3ksc s ASN 336 CO -0.05 -0.08 1.92 -0.65 -2.79 0.00 0.00 177.10 175.45 3ksc h PRO 337 N 8.07 0.24 -0.35 0.43 0.11 -2.01 0.13 132.00 138.62 3ksc h PRO 337 Ca -0.34 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.61 3ksc h PRO 337 Cb 1.14 -0.05 -0.09 0.00 0.11 0.00 0.00 31.00 32.10 3ksc h PRO 337 CO 0.46 0.16 -0.03 0.39 -0.21 0.00 0.00 178.00 178.78 3ksc n GLU 338 N -4.43 2.09 0.08 1.05 -0.58 -1.26 -4.73 120.64 112.86 3ksc n GLU 338 Ca 0.15 -3.09 0.00 0.00 -0.42 0.00 0.00 57.16 53.80 3ksc n GLU 338 Cb 0.65 -1.83 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 3ksc n GLU 338 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ksc n ALA 339 N -0.99 3.00 0.00 0.62 0.00 -0.19 -2.88 120.51 120.07 3ksc n ALA 339 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3ksc n ALA 339 Cb 1.03 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.49 3ksc n ALA 339 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ksc n GLY 340 N 1.58 -0.14 3.47 0.00 0.00 0.26 0.87 105.19 111.23 3ksc n GLY 340 Ca 0.00 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.16 3ksc n GLY 340 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ksc s ARG 341 N -1.85 1.15 -0.02 1.61 1.70 -0.79 -1.55 118.95 119.20 3ksc s ARG 341 Ca 0.00 -0.14 0.03 0.00 -0.47 0.00 0.00 55.73 55.15 3ksc s ARG 341 Cb 0.00 0.54 -0.00 0.00 -0.57 0.00 0.00 34.95 34.91 3ksc s ARG 341 CO 0.00 -0.45 -0.11 0.42 -1.08 0.00 0.00 175.30 174.08 3ksc s ILE 342 N -2.59 0.94 -0.04 4.99 -1.09 0.31 -1.49 121.20 122.23 3ksc s ILE 342 Ca -0.04 -0.47 0.01 0.00 -2.23 0.00 0.00 60.65 57.91 3ksc s ILE 342 Cb -0.01 -0.80 0.02 0.00 -1.58 0.00 0.00 42.46 40.10 3ksc s ILE 342 CO -0.03 0.28 -0.02 -0.75 -1.23 0.00 0.00 174.94 173.19 3ksc s LYS 343 N -0.06 0.52 0.07 2.79 2.36 -0.16 -0.19 119.74 125.08 3ksc s LYS 343 Ca 0.01 0.00 0.09 0.00 -2.55 0.00 0.00 55.97 53.52 3ksc s LYS 343 Cb -0.07 -0.63 -0.03 0.00 -1.05 0.00 0.00 37.83 36.05 3ksc s LYS 343 CO 0.00 -0.11 -0.25 0.95 1.55 0.00 0.00 175.35 177.49 3ksc s THR 344 N 0.98 2.02 -0.12 3.43 -4.23 -1.26 0.10 115.64 116.56 3ksc s THR 344 Ca -0.10 -1.45 0.03 0.00 -1.18 0.00 0.00 61.69 58.99 3ksc s THR 344 Cb -0.14 -1.76 0.01 0.00 1.34 0.00 0.00 72.50 71.95 3ksc s THR 344 CO -0.01 0.22 -0.22 0.54 -0.54 0.00 0.00 174.62 174.61 3ksc s VAL 345 N -0.90 2.00 0.30 2.29 0.11 0.45 -4.99 120.40 119.65 3ksc s VAL 345 Ca 0.11 -0.96 0.01 0.00 -2.93 0.00 0.00 61.98 58.21 3ksc s VAL 345 Cb -0.10 -1.75 -0.00 0.00 -1.53 0.00 0.00 36.38 33.00 3ksc s VAL 345 CO 0.03 0.54 0.05 0.35 -3.33 0.00 0.00 175.10 172.74 3ksc n THR 346 N 3.85 0.00 0.30 5.04 -2.24 -1.26 -2.47 114.28 117.50 3ksc n THR 346 Ca -0.20 -1.55 0.19 0.00 -2.27 0.00 0.00 64.05 60.22 3ksc n THR 346 Cb 0.52 0.43 0.90 0.00 -2.10 0.00 0.00 70.33 70.09 3ksc n THR 346 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3ksc h SER 347 N 0.92 0.00 -0.16 3.42 4.64 -1.60 -0.34 113.55 120.44 3ksc h SER 347 Ca -0.24 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.97 3ksc h SER 347 Cb 0.81 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 3ksc h SER 347 CO 0.39 0.00 -0.28 -0.07 -0.87 0.00 0.00 176.83 176.00 3ksc h LEU 348 N 0.00 0.65 0.01 5.97 3.38 -1.93 -2.82 115.31 120.57 3ksc h LEU 348 Ca 0.00 -0.25 -0.27 0.00 0.09 0.00 0.00 57.88 57.46 3ksc h LEU 348 Cb 0.21 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3ksc h LEU 348 CO 0.00 0.90 -1.46 0.44 0.09 0.00 0.00 178.44 178.41 3ksc h ASP 349 N 0.55 0.05 -2.16 -0.43 5.19 -1.64 -3.43 116.42 114.55 3ksc h ASP 349 Ca 0.07 -0.07 -0.46 0.00 -0.62 0.00 0.00 57.03 55.95 3ksc h ASP 349 Cb 0.77 -0.01 -0.34 0.00 0.18 0.00 0.00 39.33 39.92 3ksc h ASP 349 CO 0.06 1.06 -0.77 -0.22 -3.12 0.00 0.00 179.24 176.26 3ksc s LEU 350 N -6.40 0.40 0.42 1.55 2.96 -0.25 -4.97 118.68 112.39 3ksc s LEU 350 Ca -0.04 -1.98 0.17 0.00 -0.22 0.00 0.00 54.13 52.07 3ksc s LEU 350 Cb 0.08 0.19 1.08 0.00 0.50 0.00 0.00 46.19 48.04 3ksc s LEU 350 CO 0.82 -0.25 1.86 -0.65 -1.32 0.00 0.00 176.35 176.81 3ksc h PRO 351 N 6.76 0.40 -0.01 0.98 0.11 -1.75 0.11 132.00 138.60 3ksc h PRO 351 Ca 0.08 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3ksc h PRO 351 Cb 1.01 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 3ksc h PRO 351 CO 0.23 0.26 0.12 -0.24 -0.21 0.00 0.00 178.00 178.16 3ksc h VAL 352 N 0.41 0.05 0.00 3.15 3.04 -1.85 0.59 116.25 121.63 3ksc h VAL 352 Ca 0.47 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 66.15 3ksc h VAL 352 Cb 1.16 0.88 -0.00 0.00 -2.01 0.00 0.00 31.29 31.32 3ksc h VAL 352 CO -0.18 0.00 -0.01 -0.07 -1.01 0.00 0.00 177.57 176.31 3ksc h LEU 353 N 0.00 0.00 -1.66 3.16 4.07 -1.29 -2.31 115.31 117.28 3ksc h LEU 353 Ca 0.01 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.01 3ksc h LEU 353 Cb 0.24 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.96 3ksc h LEU 353 CO -0.00 0.01 0.31 -0.09 -1.08 0.00 0.00 178.44 177.58 3ksc h ARG 354 N 0.00 0.42 0.17 1.13 2.43 -1.07 -0.59 114.38 116.87 3ksc h ARG 354 Ca -0.00 -0.03 -0.30 0.00 -0.81 0.00 0.00 59.98 58.85 3ksc h ARG 354 Cb 0.23 -0.09 0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3ksc h ARG 354 CO 0.00 0.28 -1.33 -1.49 -1.51 0.00 0.00 179.97 175.91 3ksc h TRP 355 N 0.43 0.65 0.00 2.20 4.06 -1.61 -3.31 115.95 118.37 3ksc h TRP 355 Ca 0.19 -0.48 -0.07 0.00 2.06 0.00 0.00 58.89 60.60 3ksc h TRP 355 Cb 0.23 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.35 3ksc h TRP 355 CO -0.00 1.38 -0.33 -0.07 -3.56 0.00 0.00 178.44 175.86 3ksc h LEU 356 N 0.10 0.00 -1.28 -4.49 3.38 -1.46 -3.47 115.31 108.08 3ksc h LEU 356 Ca -0.18 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.36 3ksc h LEU 356 Cb 2.04 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.82 3ksc h LEU 356 CO 0.23 0.33 -0.77 0.29 0.09 0.00 0.00 178.44 178.60 3ksc n LYS 357 N -3.35 -5.75 -4.19 1.13 4.76 -0.28 -4.88 118.16 105.60 3ksc n LYS 357 Ca 0.01 0.66 -0.13 0.00 -2.87 0.00 0.00 58.31 55.97 3ksc n LYS 357 Cb 0.55 -5.47 -0.10 0.00 -1.84 0.00 0.00 35.03 28.17 3ksc n LYS 357 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ksc s LEU 358 N -7.02 2.47 0.35 -0.35 1.43 -1.23 -1.75 118.68 112.57 3ksc s LEU 358 Ca 0.38 -0.92 -0.10 0.00 -1.03 0.00 0.00 54.13 52.47 3ksc s LEU 358 Cb -0.19 -0.23 0.02 0.00 0.03 0.00 0.00 46.19 45.83 3ksc s LEU 358 CO 0.80 -0.35 0.61 -0.94 0.23 0.00 0.00 176.35 176.71 3ksc s SER 359 N -2.79 0.40 -0.11 2.29 1.04 -0.76 -3.90 113.70 109.88 3ksc s SER 359 Ca 0.10 -1.25 -0.19 0.00 0.48 0.00 0.00 55.95 55.08 3ksc s SER 359 Cb 0.01 0.73 0.04 0.00 0.10 0.00 0.00 66.02 66.91 3ksc s SER 359 CO -0.01 -1.44 0.47 0.00 0.98 0.00 0.00 173.24 173.24 3ksc s ALA 360 N -2.92 -1.20 -0.12 5.32 0.00 -1.03 -1.31 121.76 120.51 3ksc s ALA 360 Ca 0.23 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.26 3ksc s ALA 360 Cb -0.03 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.73 3ksc s ALA 360 CO 0.15 -0.27 -0.19 -2.00 0.00 0.00 0.00 175.76 173.45 3ksc s GLU 361 N -0.52 2.63 -0.17 0.00 2.12 -0.20 -0.42 118.70 122.14 3ksc s GLU 361 Ca -0.06 -0.72 -0.13 0.00 0.36 0.00 0.00 54.97 54.41 3ksc s GLU 361 Cb -0.03 -2.14 -0.05 0.00 0.26 0.00 0.00 34.13 32.17 3ksc s GLU 361 CO 0.04 -0.01 0.28 -1.58 -0.54 0.00 0.00 175.26 173.45 3ksc s HIS 362 N 0.81 3.44 0.03 5.30 5.65 0.28 -0.49 115.29 130.30 3ksc s HIS 362 Ca -0.09 0.55 0.06 0.00 0.25 0.00 0.00 55.06 55.83 3ksc s HIS 362 Cb -0.16 -2.34 -0.02 0.00 -1.18 0.00 0.00 32.58 28.88 3ksc s HIS 362 CO -0.00 0.21 -0.19 0.20 -0.65 0.00 0.00 174.74 174.31 3ksc s GLY 363 N 0.56 0.99 -0.03 1.59 0.00 0.65 -0.99 107.32 110.09 3ksc s GLY 363 Ca 0.15 -0.93 0.02 0.00 0.00 0.00 0.00 44.72 43.96 3ksc s GLY 363 CO 0.04 -0.85 -0.07 -0.45 0.00 0.00 0.00 173.10 171.76 3ksc s SER 364 N -0.95 1.04 -0.08 1.64 0.15 -0.56 -0.68 113.70 114.25 3ksc s SER 364 Ca 0.06 -0.16 0.01 0.00 0.70 0.00 0.00 55.95 56.57 3ksc s SER 364 Cb -0.08 -0.34 0.02 0.00 -1.71 0.00 0.00 66.02 63.91 3ksc s SER 364 CO 0.01 0.03 -0.10 -0.76 1.20 0.00 0.00 173.24 173.62 3ksc s LEU 365 N 0.39 1.42 0.69 3.45 1.43 0.19 -1.89 118.68 124.35 3ksc s LEU 365 Ca -0.06 -0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 52.61 3ksc s LEU 365 Cb -0.10 -0.80 0.02 0.00 0.03 0.00 0.00 46.19 45.34 3ksc s LEU 365 CO 0.00 -0.04 1.17 -1.00 0.23 0.00 0.00 176.35 176.71 3ksc s HIS 366 N 1.12 2.31 0.12 0.29 3.76 0.25 -0.39 115.29 122.75 3ksc s HIS 366 Ca -0.06 1.58 -0.35 0.00 -0.15 0.00 0.00 55.06 56.08 3ksc s HIS 366 Cb -0.14 -3.35 -0.17 0.00 1.11 0.00 0.00 32.58 30.03 3ksc s HIS 366 CO -0.02 -2.19 1.12 1.17 -0.85 0.00 0.00 174.74 173.97 3ksc n LYS 367 N -2.51 0.83 -0.49 1.40 4.81 -0.41 -1.31 118.16 120.47 3ksc n LYS 367 Ca 0.12 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 3ksc n LYS 367 Cb 0.51 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.78 3ksc n LYS 367 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3ksc n ASN 368 N 2.02 0.00 -4.90 3.14 5.03 0.44 -4.65 115.26 116.34 3ksc n ASN 368 Ca 0.17 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.34 3ksc n ASN 368 Cb 0.20 -1.37 0.04 0.00 -1.02 0.00 0.00 39.78 37.62 3ksc n ASN 368 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ksc s ALA 369 N -2.03 3.13 0.25 5.41 0.00 -0.43 -4.15 121.76 123.94 3ksc s ALA 369 Ca 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 3ksc s ALA 369 Cb 0.00 -2.80 -0.02 0.00 0.00 0.00 0.00 23.12 20.30 3ksc s ALA 369 CO 0.00 -0.91 0.33 0.00 0.00 0.00 0.00 175.76 175.18 3ksc s MET 370 N -5.14 1.50 -0.01 0.00 0.23 0.11 -0.96 119.30 115.02 3ksc s MET 370 Ca 0.55 -1.54 0.01 0.00 -1.03 0.00 0.00 55.69 53.69 3ksc s MET 370 Cb -0.11 0.38 -0.04 0.00 -1.53 0.00 0.00 34.83 33.54 3ksc s MET 370 CO 0.48 -0.57 0.01 -0.59 -2.03 0.00 0.00 175.02 172.31 3ksc s PHE 371 N -3.86 3.09 0.72 3.16 -0.12 -0.81 -0.05 117.98 120.12 3ksc s PHE 371 Ca 0.31 0.10 -0.15 0.00 -0.05 0.00 0.00 56.93 57.14 3ksc s PHE 371 Cb 0.03 -1.69 0.04 0.00 -0.63 0.00 0.00 43.02 40.76 3ksc s PHE 371 CO 0.13 0.47 1.23 0.14 -0.05 0.00 0.00 175.22 177.14 3ksc s VAL 372 N -1.07 2.16 0.22 -2.49 -7.23 -0.43 -3.25 120.40 108.31 3ksc s VAL 372 Ca 0.19 0.08 -0.31 0.00 -1.81 0.00 0.00 61.98 60.13 3ksc s VAL 372 Cb -0.12 -2.73 -0.15 0.00 0.56 0.00 0.00 36.38 33.94 3ksc s VAL 372 CO 0.09 -0.04 1.09 -2.65 -0.31 0.00 0.00 175.10 173.29 3ksc n PRO 373 N -2.62 1.24 -3.78 4.82 -0.02 -1.26 -4.64 135.00 128.75 3ksc n PRO 373 Ca 0.14 0.44 -0.04 0.00 -2.02 0.00 0.00 63.50 62.02 3ksc n PRO 373 Cb 0.50 -1.88 -0.01 0.00 -0.02 0.00 0.00 33.50 32.09 3ksc n PRO 373 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3ksc s HIS 374 N -0.55 -0.13 0.04 6.00 -3.43 -0.50 -0.85 115.29 115.86 3ksc s HIS 374 Ca 0.67 -0.20 -0.01 0.00 -0.80 0.00 0.00 55.06 54.72 3ksc s HIS 374 Cb -0.78 0.65 -0.04 0.00 -1.43 0.00 0.00 32.58 30.98 3ksc s HIS 374 CO 0.55 -0.91 -0.03 1.52 -2.00 0.00 0.00 174.74 173.88 3ksc s TYR 375 N -3.37 0.46 -0.10 0.38 -0.85 -0.99 0.76 117.35 113.64 3ksc s TYR 375 Ca 0.12 -0.95 -0.18 0.00 -0.52 0.00 0.00 57.07 55.55 3ksc s TYR 375 Cb -0.02 -0.34 -0.05 0.00 0.38 0.00 0.00 41.96 41.93 3ksc s TYR 375 CO 0.03 -0.34 0.47 -0.80 -1.52 0.00 0.00 175.55 173.39 3ksc s ASN 376 N -2.60 6.71 0.13 -0.18 0.01 -1.26 -0.62 114.94 117.13 3ksc s ASN 376 Ca 0.02 0.84 -0.15 0.00 -0.71 0.00 0.00 52.86 52.87 3ksc s ASN 376 Cb 0.04 -2.28 -0.00 0.00 0.41 0.00 0.00 41.25 39.42 3ksc s ASN 376 CO -0.08 0.06 1.63 -0.07 -1.51 0.00 0.00 177.10 177.13 3ksc h LEU 377 N 6.36 0.64 -4.18 0.60 4.07 -1.14 -0.77 115.31 120.91 3ksc h LEU 377 Ca -0.43 -0.23 -0.20 0.00 0.08 0.00 0.00 57.88 57.10 3ksc h LEU 377 Cb 1.18 -0.17 -0.33 0.00 1.08 0.00 0.00 40.66 42.42 3ksc h LEU 377 CO 0.73 0.71 -0.88 -0.46 -1.08 0.00 0.00 178.44 177.46 3ksc n ASN 378 N -4.54 0.67 -3.56 -0.43 6.94 -1.26 -4.63 115.26 108.46 3ksc n ASN 378 Ca -0.00 -2.04 -0.12 0.00 -0.02 0.00 0.00 54.58 52.40 3ksc n ASN 378 Cb 0.21 -0.17 -0.05 0.00 -2.36 0.00 0.00 39.78 37.41 3ksc n ASN 378 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ksc s ALA 379 N -1.57 -1.89 0.34 -2.53 0.00 -1.26 -4.62 121.76 110.24 3ksc s ALA 379 Ca 0.24 1.49 -0.13 0.00 0.00 0.00 0.00 51.96 53.56 3ksc s ALA 379 Cb 0.33 -0.48 -0.08 0.00 0.00 0.00 0.00 23.12 22.89 3ksc s ALA 379 CO -0.09 -0.34 0.73 -0.80 0.00 0.00 0.00 175.76 175.25 3ksc s ASN 380 N -1.19 6.66 -0.04 0.00 0.01 -1.26 -3.13 114.94 116.00 3ksc s ASN 380 Ca -0.04 1.18 0.04 0.00 -0.71 0.00 0.00 52.86 53.34 3ksc s ASN 380 Cb -0.00 -2.34 -0.01 0.00 0.41 0.00 0.00 41.25 39.32 3ksc s ASN 380 CO 0.03 -0.26 -0.17 -0.44 -1.51 0.00 0.00 177.10 174.75 3ksc s SER 381 N -2.62 2.08 -0.31 -1.22 0.01 -0.09 -1.61 113.70 109.94 3ksc s SER 381 Ca 0.52 -0.34 -0.05 0.00 1.31 0.00 0.00 55.95 57.40 3ksc s SER 381 Cb -0.10 -0.50 0.03 0.00 0.21 0.00 0.00 66.02 65.66 3ksc s SER 381 CO 0.23 0.16 0.06 -0.63 0.41 0.00 0.00 173.24 173.47 3ksc s ILE 382 N -0.06 3.53 -0.33 1.44 -1.09 -0.17 0.10 121.20 124.62 3ksc s ILE 382 Ca -0.01 -1.09 -0.22 0.00 -2.23 0.00 0.00 60.65 57.10 3ksc s ILE 382 Cb -0.10 -2.95 0.00 0.00 -1.58 0.00 0.00 42.46 37.83 3ksc s ILE 382 CO 0.01 -0.07 0.71 -0.63 -1.23 0.00 0.00 174.94 173.73 3ksc s ILE 383 N 1.38 4.84 -0.22 2.92 1.01 0.49 -1.21 121.20 130.41 3ksc s ILE 383 Ca -0.01 0.87 -0.05 0.00 0.00 0.00 0.00 60.65 61.45 3ksc s ILE 383 Cb -0.19 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.16 3ksc s ILE 383 CO 0.01 -0.29 -0.01 -0.47 0.00 0.00 0.00 174.94 174.19 3ksc s TYR 384 N 2.84 3.00 -0.13 3.97 5.04 -0.05 0.05 117.35 132.08 3ksc s TYR 384 Ca 0.28 -0.70 -0.29 0.00 -2.44 0.00 0.00 57.07 53.91 3ksc s TYR 384 Cb -0.14 -2.13 -0.01 0.00 0.35 0.00 0.00 41.96 40.03 3ksc s TYR 384 CO 0.14 -0.43 1.01 0.00 -1.34 0.00 0.00 175.55 174.93 3ksc s ALA 385 N 1.39 3.45 -0.12 3.97 0.00 -0.46 -1.50 121.76 128.48 3ksc s ALA 385 Ca 0.05 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.37 3ksc s ALA 385 Cb -0.15 -3.45 -0.24 0.00 0.00 0.00 0.00 23.12 19.29 3ksc s ALA 385 CO -0.00 -0.67 0.36 1.28 0.00 0.00 0.00 175.76 176.72 3ksc n LEU 386 N 5.21 1.89 -3.63 0.00 4.77 0.12 -0.06 117.00 125.29 3ksc n LEU 386 Ca 0.09 0.21 -0.12 0.00 -0.03 0.00 0.00 56.01 56.16 3ksc n LEU 386 Cb 0.48 -0.54 -0.07 0.00 -2.33 0.00 0.00 43.42 40.96 3ksc n LEU 386 CO 0.52 0.69 0.44 -0.75 -1.33 0.00 0.00 177.39 176.95 3ksc s LYS 387 N -2.56 0.78 1.87 3.23 2.20 -0.99 -4.68 119.74 119.59 3ksc s LYS 387 Ca -0.17 1.00 0.00 0.00 -0.36 0.00 0.00 55.97 56.44 3ksc s LYS 387 Cb 0.07 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.73 3ksc s LYS 387 CO 0.77 -0.11 0.00 0.41 -0.36 0.00 0.00 175.35 176.07 3ksc n GLY 388 N 2.98 -1.51 3.15 5.54 0.00 -1.26 -1.72 105.19 112.36 3ksc n GLY 388 Ca -0.15 -1.36 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 3ksc n GLY 388 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ksc s ARG 389 N 0.00 0.79 0.06 1.61 0.52 -1.26 -1.17 118.95 119.50 3ksc s ARG 389 Ca 0.00 -1.25 -0.14 0.00 -0.52 0.00 0.00 55.73 53.82 3ksc s ARG 389 Cb 0.00 -0.22 0.02 0.00 0.52 0.00 0.00 34.95 35.27 3ksc s ARG 389 CO 0.00 -0.01 0.32 0.00 0.02 0.00 0.00 175.30 175.63 3ksc s ALA 390 N -3.29 -0.72 -0.21 2.13 0.00 -0.89 -1.71 121.76 117.07 3ksc s ALA 390 Ca 0.09 -0.02 -0.15 0.00 0.00 0.00 0.00 51.96 51.88 3ksc s ALA 390 Cb 0.03 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 3ksc s ALA 390 CO -0.04 -0.46 0.36 1.03 0.00 0.00 0.00 175.76 176.65 3ksc s ARG 391 N -2.83 4.15 0.02 0.00 1.81 0.44 -1.12 118.95 121.42 3ksc s ARG 391 Ca -0.03 0.12 0.08 0.00 -1.72 0.00 0.00 55.73 54.18 3ksc s ARG 391 Cb 0.00 -3.54 -0.02 0.00 -0.45 0.00 0.00 34.95 30.93 3ksc s ARG 391 CO -0.05 -0.03 -0.24 -0.51 -0.68 0.00 0.00 175.30 173.79 3ksc s LEU 392 N 1.31 2.12 0.01 2.53 1.02 -0.29 -0.43 118.68 124.95 3ksc s LEU 392 Ca 0.17 -0.51 0.06 0.00 0.02 0.00 0.00 54.13 53.87 3ksc s LEU 392 Cb -0.15 -1.17 -0.02 0.00 0.02 0.00 0.00 46.19 44.88 3ksc s LEU 392 CO 0.07 0.24 -0.18 -1.10 0.02 0.00 0.00 176.35 175.40 3ksc s GLN 393 N -0.97 1.38 -0.02 1.70 -0.21 -0.65 -1.85 119.66 119.04 3ksc s GLN 393 Ca 0.10 -0.75 0.02 0.00 0.02 0.00 0.00 55.36 54.74 3ksc s GLN 393 Cb -0.09 -1.39 0.01 0.00 1.00 0.00 0.00 33.01 32.54 3ksc s GLN 393 CO 0.01 0.37 -0.05 0.54 -2.12 0.00 0.00 175.29 174.04 3ksc s VAL 394 N -0.58 0.49 0.02 1.09 0.11 -0.33 -1.34 120.40 119.86 3ksc s VAL 394 Ca 0.06 -0.19 0.08 0.00 -2.93 0.00 0.00 61.98 59.00 3ksc s VAL 394 Cb -0.08 -0.46 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 3ksc s VAL 394 CO 0.00 0.17 -0.23 0.68 -3.33 0.00 0.00 175.10 172.39 3ksc s VAL 395 N 0.32 2.35 0.00 2.04 -7.23 -0.36 -1.13 120.40 116.40 3ksc s VAL 395 Ca -0.04 -1.24 0.00 0.00 -1.81 0.00 0.00 61.98 58.90 3ksc s VAL 395 Cb -0.08 -1.92 0.00 0.00 0.56 0.00 0.00 36.38 34.94 3ksc s VAL 395 CO -0.00 0.42 0.00 -0.46 -0.31 0.00 0.00 175.10 174.75 3ksc n ASN 396 N 1.89 0.00 0.00 4.85 0.23 -0.89 -2.29 115.26 119.05 3ksc n ASN 396 Ca -0.17 -0.35 0.13 0.00 -0.53 0.00 0.00 54.58 53.66 3ksc n ASN 396 Cb 0.52 0.00 0.71 0.00 -2.08 0.00 0.00 39.78 38.92 3ksc n ASN 396 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ksc n ASN 398 N -1.24 2.75 0.00 0.00 4.13 -1.26 -4.96 115.26 114.68 3ksc n ASN 398 Ca 0.14 -2.39 0.00 0.00 1.68 0.00 0.00 54.58 54.01 3ksc n ASN 398 Cb 0.20 -0.26 0.00 0.00 -1.54 0.00 0.00 39.78 38.18 3ksc n ASN 398 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ksc n GLY 399 N -0.32 0.52 3.77 7.41 0.00 -1.18 -5.02 105.19 110.37 3ksc n GLY 399 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3ksc n GLY 399 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ksc s ASN 400 N -2.10 7.41 -0.55 1.61 0.02 -1.26 -4.86 114.94 115.20 3ksc s ASN 400 Ca 0.00 1.67 -0.26 0.00 -1.02 0.00 0.00 52.86 53.25 3ksc s ASN 400 Cb 0.00 -2.51 0.03 0.00 0.02 0.00 0.00 41.25 38.79 3ksc s ASN 400 CO 0.00 0.18 1.05 -0.89 0.02 0.00 0.00 177.10 177.45 3ksc s THR 401 N -1.01 4.24 -0.63 1.60 2.01 -1.26 -2.10 115.64 118.49 3ksc s THR 401 Ca 0.37 0.62 0.23 0.00 0.31 0.00 0.00 61.69 63.22 3ksc s THR 401 Cb -0.23 -4.61 -0.06 0.00 0.01 0.00 0.00 72.50 67.62 3ksc s THR 401 CO 0.27 -1.17 1.13 1.33 -0.69 0.00 0.00 174.62 175.49 3ksc n VAL 402 N 6.44 0.23 -3.71 3.82 0.24 -0.28 -4.77 118.33 120.29 3ksc n VAL 402 Ca 0.05 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.34 61.99 3ksc n VAL 402 Cb 0.48 0.10 -0.12 0.00 -1.47 0.00 0.00 33.84 32.83 3ksc n VAL 402 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3ksc s PHE 403 N -3.18 -0.47 -0.40 6.34 5.36 -1.15 -0.16 117.98 124.31 3ksc s PHE 403 Ca 0.05 1.05 0.05 0.00 -0.96 0.00 0.00 56.93 57.11 3ksc s PHE 403 Cb 0.14 0.16 0.17 0.00 -0.34 0.00 0.00 43.02 43.15 3ksc s PHE 403 CO 0.77 -0.28 0.47 0.34 -1.46 0.00 0.00 175.22 175.06 3ksc s ASP 404 N 1.24 0.25 0.00 6.13 2.15 -1.25 -1.18 116.67 124.01 3ksc s ASP 404 Ca -0.09 -1.56 0.00 0.00 0.43 0.00 0.00 52.55 51.33 3ksc s ASP 404 Cb -0.09 0.95 0.00 0.00 -0.30 0.00 0.00 42.92 43.49 3ksc s ASP 404 CO -0.10 -0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.31 3ksc n GLY 405 N 3.99 -0.57 3.78 2.66 0.00 -0.77 -5.01 105.19 109.27 3ksc n GLY 405 Ca 0.14 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 3ksc n GLY 405 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ksc s GLU 406 N -0.04 3.92 -0.34 1.61 2.12 -1.26 -1.14 118.70 123.57 3ksc s GLU 406 Ca 0.00 -0.18 -0.02 0.00 0.36 0.00 0.00 54.97 55.12 3ksc s GLU 406 Cb 0.00 -3.34 0.07 0.00 0.26 0.00 0.00 34.13 31.13 3ksc s GLU 406 CO 0.00 0.47 0.08 -1.17 -0.54 0.00 0.00 175.26 174.11 3ksc s LEU 407 N -0.15 4.45 0.42 2.70 2.96 -0.27 -4.82 118.68 123.97 3ksc s LEU 407 Ca 0.11 -1.57 0.03 0.00 -0.22 0.00 0.00 54.13 52.48 3ksc s LEU 407 Cb -0.11 -1.76 -0.00 0.00 0.50 0.00 0.00 46.19 44.81 3ksc s LEU 407 CO 0.00 -0.37 0.61 -1.83 -1.32 0.00 0.00 176.35 173.44 3ksc s GLU 408 N 1.21 3.01 0.35 1.98 -1.05 -1.26 -2.09 118.70 120.85 3ksc s GLU 408 Ca 0.01 -0.72 -0.28 0.00 -0.15 0.00 0.00 54.97 53.82 3ksc s GLU 408 Cb -0.21 -2.65 -0.12 0.00 -0.44 0.00 0.00 34.13 30.72 3ksc s GLU 408 CO -0.02 -0.21 1.34 0.00 0.95 0.00 0.00 175.26 177.31 3ksc n ALA 409 N -1.96 1.53 -0.46 -0.84 0.00 -0.32 -2.52 120.51 115.95 3ksc n ALA 409 Ca 0.02 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3ksc n ALA 409 Cb 0.58 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3ksc n ALA 409 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ksc n GLY 410 N 0.73 0.73 3.57 0.00 0.00 0.91 -4.97 105.19 106.16 3ksc n GLY 410 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 3ksc n GLY 410 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ksc s ARG 411 N -0.54 2.03 0.11 1.61 0.52 -1.05 -4.69 118.95 116.94 3ksc s ARG 411 Ca 0.00 -1.59 0.10 0.00 -0.52 0.00 0.00 55.73 53.72 3ksc s ARG 411 Cb 0.00 -1.98 -0.04 0.00 0.52 0.00 0.00 34.95 33.45 3ksc s ARG 411 CO 0.00 0.33 -0.26 0.00 0.02 0.00 0.00 175.30 175.39 3ksc s ALA 412 N -2.42 2.26 -0.07 2.13 0.00 -0.18 -1.36 121.76 122.13 3ksc s ALA 412 Ca 0.31 -1.40 0.01 0.00 0.00 0.00 0.00 51.96 50.88 3ksc s ALA 412 Cb -0.05 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.72 3ksc s ALA 412 CO 0.18 0.51 -0.06 -1.17 0.00 0.00 0.00 175.76 175.21 3ksc s LEU 413 N -1.93 1.28 -0.06 0.00 2.96 0.11 -0.62 118.68 120.42 3ksc s LEU 413 Ca 0.12 -0.20 -0.29 0.00 -0.22 0.00 0.00 54.13 53.54 3ksc s LEU 413 Cb -0.10 -0.63 -0.02 0.00 0.50 0.00 0.00 46.19 45.94 3ksc s LEU 413 CO 0.05 -0.06 0.97 -0.89 -1.32 0.00 0.00 176.35 175.10 3ksc s THR 414 N 1.16 4.84 -0.31 3.68 2.01 -1.26 -0.38 115.64 125.38 3ksc s THR 414 Ca -0.07 2.00 0.04 0.00 0.31 0.00 0.00 61.69 63.97 3ksc s THR 414 Cb -0.14 -4.30 0.08 0.00 0.01 0.00 0.00 72.50 68.16 3ksc s THR 414 CO -0.01 0.09 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.30 3ksc s VAL 415 N 1.51 2.21 0.64 3.82 1.01 0.11 -4.98 120.40 124.73 3ksc s VAL 415 Ca 0.49 -2.06 -0.17 0.00 0.00 0.00 0.00 61.98 60.24 3ksc s VAL 415 Cb -0.19 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 3ksc s VAL 415 CO 0.22 -0.38 1.20 -2.84 0.00 0.00 0.00 175.10 173.30 3ksc s PRO 416 N 0.99 2.69 0.24 2.72 0.02 -1.26 -0.91 135.00 139.48 3ksc s PRO 416 Ca 0.03 1.77 -0.28 0.00 0.02 0.00 0.00 61.00 62.54 3ksc s PRO 416 Cb -0.19 -1.90 -0.16 0.00 0.02 0.00 0.00 34.50 32.27 3ksc s PRO 416 CO -0.07 -1.41 0.65 0.94 -0.33 0.00 0.00 177.00 176.78 3ksc n GLN 417 N -2.03 0.40 0.00 5.54 7.27 -1.18 -1.78 117.38 125.60 3ksc n GLN 417 Ca 0.13 0.14 0.00 0.00 0.07 0.00 0.00 57.00 57.34 3ksc n GLN 417 Cb 0.50 -1.26 0.00 0.00 2.41 0.00 0.00 30.24 31.89 3ksc n GLN 417 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3ksc n ASN 418 N 1.76 0.00 -4.76 1.69 5.03 -0.29 -4.96 115.26 113.73 3ksc n ASN 418 Ca 0.15 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.19 3ksc n ASN 418 Cb 0.28 -0.67 -0.02 0.00 -1.02 0.00 0.00 39.78 38.35 3ksc n ASN 418 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3ksc s TYR 419 N -1.09 3.01 0.09 3.10 1.51 -0.73 -4.86 117.35 118.38 3ksc s TYR 419 Ca 0.00 1.22 -0.18 0.00 -1.01 0.00 0.00 57.07 57.11 3ksc s TYR 419 Cb 0.00 -3.76 -0.07 0.00 -0.11 0.00 0.00 41.96 38.02 3ksc s TYR 419 CO 0.00 -2.28 0.56 0.00 -1.11 0.00 0.00 175.55 172.72 3ksc s ALA 420 N -0.60 3.58 0.05 3.71 0.00 -0.97 -4.25 121.76 123.28 3ksc s ALA 420 Ca 0.54 -0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.54 3ksc s ALA 420 Cb -0.41 -2.60 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 3ksc s ALA 420 CO 0.49 0.41 -0.14 0.54 0.00 0.00 0.00 175.76 177.06 3ksc s VAL 421 N -1.21 1.14 0.01 0.00 0.11 0.23 -1.22 120.40 119.45 3ksc s VAL 421 Ca 0.31 -1.13 -0.02 0.00 -2.93 0.00 0.00 61.98 58.21 3ksc s VAL 421 Cb -0.18 -1.05 -0.01 0.00 -1.53 0.00 0.00 36.38 33.61 3ksc s VAL 421 CO 0.19 -0.08 0.03 0.00 -3.33 0.00 0.00 175.10 171.91 3ksc s ALA 422 N -1.02 -0.05 0.00 1.54 0.00 -0.45 -1.41 121.76 120.37 3ksc s ALA 422 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.67 3ksc s ALA 422 Cb -0.09 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.11 3ksc s ALA 422 CO 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 175.76 175.62 3ksc s ALA 423 N -1.07 0.12 -0.09 0.00 0.00 -1.20 -1.63 121.76 117.88 3ksc s ALA 423 Ca -0.12 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.71 3ksc s ALA 423 Cb -0.07 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.07 3ksc s ALA 423 CO -0.00 0.00 -0.10 0.21 0.00 0.00 0.00 175.76 175.87 3ksc s LYS 424 N -0.25 1.61 0.25 0.00 2.20 0.43 -1.92 119.74 122.06 3ksc s LYS 424 Ca -0.02 -0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 54.96 3ksc s LYS 424 Cb -0.02 -1.50 -0.10 0.00 -1.51 0.00 0.00 37.83 34.70 3ksc s LYS 424 CO -0.00 -0.13 1.38 0.45 -0.36 0.00 0.00 175.35 176.69 3ksc s SER 425 N 1.20 6.75 0.00 1.43 0.15 -0.13 -0.42 113.70 122.67 3ksc s SER 425 Ca -0.04 2.59 0.19 0.00 0.70 0.00 0.00 55.95 59.38 3ksc s SER 425 Cb -0.14 -2.62 0.28 0.00 -1.71 0.00 0.00 66.02 61.83 3ksc s SER 425 CO -0.03 -0.62 1.22 0.18 1.20 0.00 0.00 173.24 175.19 3ksc n LEU 426 N 2.20 2.93 -4.44 3.45 4.77 -0.69 -0.42 117.00 124.80 3ksc n LEU 426 Ca 0.06 -1.36 -0.24 0.00 -0.03 0.00 0.00 56.01 54.44 3ksc n LEU 426 Cb 0.41 -0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 41.26 3ksc n LEU 426 CO 0.59 0.61 -0.48 -0.44 -1.33 0.00 0.00 177.39 176.34 3ksc s SER 427 N -1.37 3.38 0.48 -1.43 0.01 -1.23 -4.87 113.70 108.68 3ksc s SER 427 Ca 0.28 -0.99 0.23 0.00 1.31 0.00 0.00 55.95 56.78 3ksc s SER 427 Cb 0.17 -0.26 1.27 0.00 0.21 0.00 0.00 66.02 67.41 3ksc s SER 427 CO 0.25 0.02 1.92 0.44 0.41 0.00 0.00 173.24 176.28 3ksc h ASP 428 N 2.54 0.18 -2.93 2.44 3.45 -1.93 -1.09 116.42 119.08 3ksc h ASP 428 Ca -0.41 0.02 -0.16 0.00 0.43 0.00 0.00 57.03 56.90 3ksc h ASP 428 Cb 1.24 -0.02 -0.30 0.00 -0.56 0.00 0.00 39.33 39.70 3ksc h ASP 428 CO 0.57 0.08 -0.44 -0.60 -1.57 0.00 0.00 179.24 177.29 3ksc s ARG 429 N -5.19 0.24 -0.16 3.56 6.06 -1.26 -2.56 118.95 119.65 3ksc s ARG 429 Ca -0.06 0.79 0.01 0.00 -2.50 0.00 0.00 55.73 53.96 3ksc s ARG 429 Cb 0.21 0.04 0.00 0.00 0.06 0.00 0.00 34.95 35.27 3ksc s ARG 429 CO 0.76 -0.23 -0.17 0.12 -2.50 0.00 0.00 175.30 173.28 3ksc s PHE 430 N 2.07 2.76 0.09 5.12 5.36 0.48 -4.24 117.98 129.62 3ksc s PHE 430 Ca -0.03 -1.21 0.07 0.00 -0.96 0.00 0.00 56.93 54.80 3ksc s PHE 430 Cb -0.11 -1.88 -0.03 0.00 -0.34 0.00 0.00 43.02 40.65 3ksc s PHE 430 CO -0.10 -0.56 -0.18 -1.54 -1.46 0.00 0.00 175.22 171.37 3ksc s SER 431 N 0.91 2.18 0.06 6.13 1.04 -0.70 0.53 113.70 123.85 3ksc s SER 431 Ca -0.04 -0.67 -0.14 0.00 0.48 0.00 0.00 55.95 55.59 3ksc s SER 431 Cb -0.15 -0.10 0.02 0.00 0.10 0.00 0.00 66.02 65.89 3ksc s SER 431 CO -0.02 -0.01 0.31 -0.72 0.98 0.00 0.00 173.24 173.78 3ksc s TYR 432 N -1.28 -0.09 -0.12 5.02 1.13 0.14 0.15 117.35 122.31 3ksc s TYR 432 Ca 0.03 -0.12 0.01 0.00 -1.41 0.00 0.00 57.07 55.59 3ksc s TYR 432 Cb -0.10 0.10 -0.01 0.00 -1.10 0.00 0.00 41.96 40.85 3ksc s TYR 432 CO 0.03 -0.55 -0.16 0.54 -2.51 0.00 0.00 175.55 172.91 3ksc s VAL 433 N -2.96 2.82 -0.26 -3.49 0.11 -0.57 -0.25 120.40 115.81 3ksc s VAL 433 Ca -0.02 -0.75 -0.05 0.00 -2.93 0.00 0.00 61.98 58.23 3ksc s VAL 433 Cb 0.01 -2.16 0.01 0.00 -1.53 0.00 0.00 36.38 32.70 3ksc s VAL 433 CO -0.06 0.54 0.01 0.00 -3.33 0.00 0.00 175.10 172.25 3ksc s ALA 434 N 0.28 2.91 0.13 1.54 0.00 0.35 -0.87 121.76 126.10 3ksc s ALA 434 Ca -0.11 -1.35 -0.22 0.00 0.00 0.00 0.00 51.96 50.28 3ksc s ALA 434 Cb -0.16 -1.90 -0.07 0.00 0.00 0.00 0.00 23.12 20.99 3ksc s ALA 434 CO 0.06 -0.72 0.67 -0.06 0.00 0.00 0.00 175.76 175.71 3ksc s PHE 435 N 1.46 3.83 -0.02 0.00 0.08 -0.35 -1.04 117.98 121.94 3ksc s PHE 435 Ca 0.03 1.43 0.03 0.00 0.12 0.00 0.00 56.93 58.54 3ksc s PHE 435 Cb -0.16 -2.61 -0.00 0.00 -0.57 0.00 0.00 43.02 39.67 3ksc s PHE 435 CO -0.01 0.53 -0.11 0.15 -0.10 0.00 0.00 175.22 175.68 3ksc s LYS 436 N -1.24 0.96 -0.16 0.44 1.02 -0.43 -1.00 119.74 119.34 3ksc s LYS 436 Ca 0.33 -0.38 -0.04 0.00 0.02 0.00 0.00 55.97 55.91 3ksc s LYS 436 Cb -0.21 -0.91 -0.07 0.00 -0.52 0.00 0.00 37.83 36.13 3ksc s LYS 436 CO 0.22 0.20 2.88 0.25 -0.92 0.00 0.00 175.35 177.97 3ksc n THR 437 N 2.99 2.86 -3.61 2.17 -2.24 -0.64 -1.82 114.28 113.99 3ksc n THR 437 Ca -0.15 -1.71 -0.11 0.00 -2.27 0.00 0.00 64.05 59.80 3ksc n THR 437 Cb 0.55 -1.71 -0.06 0.00 -2.10 0.00 0.00 70.33 67.01 3ksc n THR 437 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ksc s ASN 438 N 1.32 -0.52 0.36 3.42 3.84 -0.72 -4.68 114.94 117.96 3ksc s ASN 438 Ca 0.47 0.87 0.19 0.00 0.21 0.00 0.00 52.86 54.60 3ksc s ASN 438 Cb 0.26 0.84 0.23 0.00 -0.55 0.00 0.00 41.25 42.03 3ksc s ASN 438 CO -0.06 -0.26 1.53 -2.24 -2.79 0.00 0.00 177.10 173.28 3ksc h ASP 439 N 3.88 0.00 -1.58 -4.21 2.03 -1.67 -2.83 116.42 112.03 3ksc h ASP 439 Ca -0.26 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.47 3ksc h ASP 439 Cb 1.17 0.00 -0.42 0.00 -0.83 0.00 0.00 39.33 39.25 3ksc h ASP 439 CO 0.17 0.28 -0.77 0.54 -1.03 0.00 0.00 179.24 178.42 3ksc n ARG 440 N -3.18 3.13 -1.74 4.15 5.12 -1.26 -2.15 116.66 120.73 3ksc n ARG 440 Ca 0.03 -4.41 -0.42 0.00 -1.93 0.00 0.00 57.85 51.12 3ksc n ARG 440 Cb 0.63 -2.14 -0.02 0.00 -1.16 0.00 0.00 32.46 29.78 3ksc n ARG 440 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ksc n ALA 441 N -0.39 2.72 -3.34 7.54 0.00 -1.23 -4.98 120.51 120.82 3ksc n ALA 441 Ca 0.35 0.38 -0.34 0.00 0.00 0.00 0.00 53.44 53.82 3ksc n ALA 441 Cb 0.64 -2.49 -0.14 0.00 0.00 0.00 0.00 19.45 17.46 3ksc n ALA 441 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ksc s GLY 442 N 0.75 1.60 0.18 0.00 0.00 -1.26 -5.04 107.32 103.55 3ksc s GLY 442 Ca 0.68 -1.06 -0.14 0.00 0.00 0.00 0.00 44.72 44.20 3ksc s GLY 442 CO 0.43 0.22 0.57 -0.26 0.00 0.00 0.00 173.10 174.06 3ksc s ILE 443 N 1.07 4.83 -0.28 0.90 -4.36 -1.26 -0.49 121.20 121.61 3ksc s ILE 443 Ca 0.01 0.81 -0.02 0.00 -0.26 0.00 0.00 60.65 61.19 3ksc s ILE 443 Cb -0.15 -3.72 0.04 0.00 1.25 0.00 0.00 42.46 39.88 3ksc s ILE 443 CO -0.01 0.16 -0.02 0.00 0.24 0.00 0.00 174.94 175.32 3ksc s ALA 444 N -1.56 2.79 0.01 2.27 0.00 0.21 -4.90 121.76 120.59 3ksc s ALA 444 Ca 0.41 -1.60 -0.30 0.00 0.00 0.00 0.00 51.96 50.46 3ksc s ALA 444 Cb -0.14 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 3ksc s ALA 444 CO 0.20 -1.04 1.04 1.03 0.00 0.00 0.00 175.76 176.98 3ksc s ARG 445 N 1.31 4.52 0.27 0.00 0.52 -1.26 -2.34 118.95 121.97 3ksc s ARG 445 Ca -0.02 1.51 0.23 0.00 -0.52 0.00 0.00 55.73 56.93 3ksc s ARG 445 Cb -0.18 -3.43 0.17 0.00 0.52 0.00 0.00 34.95 32.03 3ksc s ARG 445 CO -0.02 -0.11 1.27 -0.07 0.02 0.00 0.00 175.30 176.39 3ksc h LEU 446 N 6.82 0.00 0.00 2.53 4.07 -1.32 0.12 115.31 127.52 3ksc h LEU 446 Ca -0.41 -0.02 -0.37 0.00 0.08 0.00 0.00 57.88 57.15 3ksc h LEU 446 Cb 1.22 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.86 3ksc h LEU 446 CO 0.77 0.01 -0.36 0.00 -1.08 0.00 0.00 178.44 177.78 3ksc n ALA 447 N -2.10 0.51 -0.19 1.53 0.00 -1.24 -4.48 120.51 114.55 3ksc n ALA 447 Ca 0.02 -1.55 0.00 0.00 0.00 0.00 0.00 53.44 51.91 3ksc n ALA 447 Cb 0.53 1.25 0.00 0.00 0.00 0.00 0.00 19.45 21.23 3ksc n ALA 447 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ksc n GLY 448 N -0.51 -1.62 0.00 0.00 0.00 -1.26 -4.50 105.19 97.29 3ksc n GLY 448 Ca 0.06 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.77 3ksc n GLY 448 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ksc n THR 449 N -0.25 0.00 -1.93 2.61 -1.04 0.11 -3.64 114.28 110.14 3ksc n THR 449 Ca 0.00 1.42 -0.41 0.00 -2.04 0.00 0.00 64.05 63.02 3ksc n THR 449 Cb 0.00 -2.38 -0.01 0.00 -1.82 0.00 0.00 70.33 66.13 3ksc n THR 449 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3ksc n SER 450 N -1.85 7.06 -4.87 8.00 7.64 -1.26 -4.77 113.62 123.57 3ksc n SER 450 Ca 0.00 -3.00 -0.21 0.00 1.01 0.00 0.00 58.87 56.67 3ksc n SER 450 Cb 0.00 -1.45 -0.03 0.00 -1.01 0.00 0.00 64.21 61.71 3ksc n SER 450 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3ksc s SER 451 N 1.07 5.41 0.10 6.43 1.04 -1.24 -4.37 113.70 122.15 3ksc s SER 451 Ca 0.53 -0.43 -0.23 0.00 0.48 0.00 0.00 55.95 56.29 3ksc s SER 451 Cb 0.16 -1.05 -0.12 0.00 0.10 0.00 0.00 66.02 65.11 3ksc s SER 451 CO -0.06 -0.34 1.72 0.58 0.98 0.00 0.00 173.24 176.11 3ksc h VAL 452 N 1.21 0.86 -0.71 5.02 2.07 -1.02 -2.42 116.25 121.26 3ksc h VAL 452 Ca -0.45 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.14 3ksc h VAL 452 Cb 1.25 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.83 3ksc h VAL 452 CO 0.58 0.00 0.40 0.40 0.02 0.00 0.00 177.57 178.97 3ksc h ILE 453 N -0.10 0.95 -0.82 4.57 5.03 -1.81 -1.51 117.51 123.81 3ksc h ILE 453 Ca 0.02 -0.25 0.14 0.00 -0.12 0.00 0.00 64.86 64.65 3ksc h ILE 453 Cb 0.12 0.17 -0.06 0.00 -3.03 0.00 0.00 36.82 34.02 3ksc h ILE 453 CO -0.04 0.13 0.54 0.78 -0.68 0.00 0.00 178.15 178.88 3ksc h ASN 454 N 0.72 0.54 -0.15 1.72 -0.26 -1.80 -2.75 115.58 113.59 3ksc h ASN 454 Ca 0.33 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 56.10 3ksc h ASN 454 Cb 0.23 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 3ksc h ASN 454 CO -0.20 0.28 0.00 0.59 -1.06 0.00 0.00 177.43 177.03 3ksc n ASN 455 N -4.52 2.84 -4.79 5.81 4.13 -0.60 -4.81 115.26 113.32 3ksc n ASN 455 Ca 0.16 -1.91 -0.38 0.00 1.68 0.00 0.00 54.58 54.12 3ksc n ASN 455 Cb 0.49 -0.09 -0.06 0.00 -1.54 0.00 0.00 39.78 38.58 3ksc n ASN 455 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3ksc s LEU 456 N -1.80 4.52 0.64 3.41 1.43 -0.99 -5.04 118.68 120.84 3ksc s LEU 456 Ca 0.33 1.60 -0.18 0.00 -1.03 0.00 0.00 54.13 54.86 3ksc s LEU 456 Cb 0.21 -3.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.00 3ksc s LEU 456 CO 0.31 0.15 1.07 -2.65 0.23 0.00 0.00 176.35 175.45 3ksc n PRO 457 N 1.32 0.88 -0.26 1.29 -0.02 -1.26 -4.79 135.00 132.16 3ksc n PRO 457 Ca -0.04 0.35 0.05 0.00 -2.02 0.00 0.00 63.50 61.83 3ksc n PRO 457 Cb 0.49 -2.29 0.18 0.00 -0.02 0.00 0.00 33.50 31.86 3ksc n PRO 457 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ksc h LEU 458 N 0.35 0.35 -0.54 2.45 5.85 -1.94 -2.31 115.31 119.52 3ksc h LEU 458 Ca -0.49 0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.23 3ksc h LEU 458 Cb 1.35 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 3ksc h LEU 458 CO 0.51 0.15 -0.02 0.44 -0.34 0.00 0.00 178.44 179.18 3ksc h ASP 459 N 0.50 0.95 -0.08 1.25 3.32 -1.98 -1.23 116.42 119.15 3ksc h ASP 459 Ca 0.40 -0.32 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 3ksc h ASP 459 Cb 0.57 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3ksc h ASP 459 CO -0.37 1.04 -0.28 -0.37 -1.72 0.00 0.00 179.24 177.54 3ksc h VAL 460 N 0.84 1.28 -0.24 -1.35 -1.51 -1.80 -0.42 116.25 113.06 3ksc h VAL 460 Ca 0.15 -1.36 0.01 0.00 -1.23 0.00 0.00 66.70 64.28 3ksc h VAL 460 Cb 0.56 1.38 -0.02 0.00 -2.13 0.00 0.00 31.29 31.09 3ksc h VAL 460 CO 0.03 0.43 0.13 0.58 -1.23 0.00 0.00 177.57 177.51 3ksc h VAL 461 N 0.47 1.02 -0.34 7.19 2.07 -1.25 0.40 116.25 125.80 3ksc h VAL 461 Ca 0.06 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.54 3ksc h VAL 461 Cb 0.74 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 3ksc h VAL 461 CO 0.06 0.05 0.07 0.00 0.02 0.00 0.00 177.57 177.77 3ksc h ALA 462 N 1.11 0.36 -0.11 1.67 0.00 -0.70 -2.50 119.26 119.10 3ksc h ALA 462 Ca 0.09 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 3ksc h ALA 462 Cb 0.01 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3ksc h ALA 462 CO -0.05 -0.34 -0.65 0.00 0.00 0.00 0.00 179.25 178.21 3ksc h ALA 463 N 1.25 0.68 -0.14 0.00 0.00 -0.86 0.24 119.26 120.42 3ksc h ALA 463 Ca 0.16 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3ksc h ALA 463 Cb 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ksc h ALA 463 CO -0.20 0.73 0.07 1.15 0.00 0.00 0.00 179.25 181.00 3ksc h THR 464 N 0.30 1.11 -0.01 0.00 2.02 0.10 -3.19 112.91 113.24 3ksc h THR 464 Ca -0.01 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3ksc h THR 464 Cb 1.20 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 3ksc h THR 464 CO 0.11 0.10 -0.47 0.49 0.37 0.00 0.00 175.52 176.12 3ksc n PHE 465 N -4.93 0.00 -2.33 3.16 3.72 -0.97 -5.01 117.46 111.10 3ksc n PHE 465 Ca -0.05 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.28 3ksc n PHE 465 Cb 0.08 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.66 3ksc n PHE 465 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3ksc n ASN 466 N -0.26 -4.20 -4.47 4.37 5.15 0.13 -5.08 115.26 110.90 3ksc n ASN 466 Ca 0.07 -0.34 -0.24 0.00 -0.60 0.00 0.00 54.58 53.48 3ksc n ASN 466 Cb 0.39 -2.74 -0.10 0.00 -0.53 0.00 0.00 39.78 36.80 3ksc n ASN 466 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3ksc s LEU 467 N -4.14 2.61 0.60 1.20 1.43 0.60 -5.02 118.68 115.97 3ksc s LEU 467 Ca 0.22 -1.06 -0.14 0.00 -1.03 0.00 0.00 54.13 52.12 3ksc s LEU 467 Cb -0.03 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 3ksc s LEU 467 CO 0.35 -0.02 1.03 -1.10 0.23 0.00 0.00 176.35 176.85 3ksc s GLN 468 N -3.54 3.46 0.21 1.70 -0.21 -1.26 -4.63 119.66 115.40 3ksc s GLN 468 Ca 0.30 0.97 -0.12 0.00 0.02 0.00 0.00 55.36 56.53 3ksc s GLN 468 Cb -0.04 -2.06 0.27 0.00 1.00 0.00 0.00 33.01 32.18 3ksc s GLN 468 CO 0.15 -0.68 1.64 0.00 -2.12 0.00 0.00 175.29 174.28 3ksc h ARG 469 N 0.12 0.04 -0.11 2.91 2.47 -1.96 -0.26 114.38 117.60 3ksc h ARG 469 Ca -0.45 -0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.16 3ksc h ARG 469 Cb 1.20 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.50 3ksc h ARG 469 CO 0.59 0.03 -0.39 -2.95 0.56 0.00 0.00 179.97 177.81 3ksc h ASN 470 N 0.05 0.24 -0.44 7.04 -1.07 -1.98 0.32 115.58 119.74 3ksc h ASN 470 Ca 0.31 -0.10 -0.01 0.00 0.07 0.00 0.00 56.30 56.57 3ksc h ASN 470 Cb 0.50 -0.07 -0.02 0.00 -2.07 0.00 0.00 38.32 36.66 3ksc h ASN 470 CO -0.60 0.61 0.22 -0.33 0.07 0.00 0.00 177.43 177.41 3ksc h GLU 471 N 0.19 0.63 -0.26 4.14 5.08 -1.56 -1.39 114.58 121.41 3ksc h GLU 471 Ca 0.02 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3ksc h GLU 471 Cb 0.78 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3ksc h GLU 471 CO 0.06 0.52 0.17 0.00 -1.00 0.00 0.00 179.01 178.77 3ksc h ALA 472 N 1.07 0.33 -0.92 3.43 0.00 0.03 -1.53 119.26 121.67 3ksc h ALA 472 Ca 0.15 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.23 3ksc h ALA 472 Cb 0.10 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 17.67 3ksc h ALA 472 CO -0.02 -0.19 0.49 0.00 0.00 0.00 0.00 179.25 179.52 3ksc h ARG 473 N 0.35 0.56 -0.27 0.00 3.08 -0.16 -1.22 114.38 116.72 3ksc h ARG 473 Ca 0.10 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 3ksc h ARG 473 Cb -0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3ksc h ARG 473 CO -0.02 0.37 -0.11 1.96 -1.07 0.00 0.00 179.97 181.10 3ksc h GLN 474 N 0.58 0.55 -0.85 0.04 4.20 -0.55 -2.45 115.11 116.63 3ksc h GLN 474 Ca 0.55 -0.23 0.16 0.00 0.06 0.00 0.00 58.65 59.18 3ksc h GLN 474 Cb 0.92 -0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.58 3ksc h GLN 474 CO -0.43 0.79 0.43 1.25 -0.67 0.00 0.00 178.83 180.19 3ksc h LEU 475 N 0.29 0.49 -0.13 1.46 5.85 -0.34 0.79 115.31 123.72 3ksc h LEU 475 Ca 0.06 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3ksc h LEU 475 Cb 0.61 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.67 3ksc h LEU 475 CO 0.04 0.18 -0.06 0.29 -0.34 0.00 0.00 178.44 178.55 3ksc n LYS 476 N -4.90 0.60 0.00 1.25 5.02 -0.56 -4.55 118.16 115.02 3ksc n LYS 476 Ca 0.18 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3ksc n LYS 476 Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 3ksc n LYS 476 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3ksc n SER 477 N -1.09 0.00 0.33 4.39 7.64 -0.71 -4.82 113.62 119.36 3ksc n SER 477 Ca 0.15 0.00 0.22 0.00 1.01 0.00 0.00 58.87 60.25 3ksc n SER 477 Cb 0.25 0.00 1.19 0.00 -1.01 0.00 0.00 64.21 64.65 3ksc n SER 477 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 3ksc h ASN 478 N 0.00 0.00 -3.78 6.43 4.21 -1.09 -3.34 115.58 118.01 3ksc h ASN 478 Ca 0.00 0.00 -0.68 0.00 1.21 0.00 0.00 56.30 56.83 3ksc h ASN 478 Cb 0.00 0.00 -0.35 0.00 -1.12 0.00 0.00 38.32 36.85 3ksc h ASN 478 CO 0.00 0.00 -0.75 0.21 -1.29 0.00 0.00 177.43 175.60 3ksc s ASN 479 N -5.11 4.62 0.00 5.81 3.84 -1.26 -4.99 114.94 117.85 3ksc s ASN 479 Ca -0.05 -1.28 0.20 0.00 0.21 0.00 0.00 52.86 51.95 3ksc s ASN 479 Cb 0.13 -1.64 0.54 0.00 -0.55 0.00 0.00 41.25 39.73 3ksc s ASN 479 CO 0.40 -0.21 1.45 -0.81 -2.79 0.00 0.00 177.10 175.14 3ksc n PRO 480 N 4.55 2.39 -3.47 0.43 -0.05 -1.26 -3.94 135.00 133.65 3ksc n PRO 480 Ca -0.14 -2.13 -0.32 0.00 -0.05 0.00 0.00 63.50 60.86 3ksc n PRO 480 Cb 0.43 -1.48 -0.05 0.00 -0.05 0.00 0.00 33.50 32.35 3ksc n PRO 480 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 3ksc s PHE 481 N -1.32 3.45 0.01 0.54 0.08 -1.26 -4.66 117.98 114.81 3ksc s PHE 481 Ca 0.40 0.82 -0.20 0.00 0.12 0.00 0.00 56.93 58.07 3ksc s PHE 481 Cb 0.22 -2.22 -0.11 0.00 -0.57 0.00 0.00 43.02 40.34 3ksc s PHE 481 CO 0.29 0.32 1.06 -0.22 -0.10 0.00 0.00 175.22 176.56 3ksc h LYS 482 N 2.70 -0.69 0.00 0.44 1.63 -1.93 0.32 116.57 119.04 3ksc h LYS 482 Ca -0.47 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 3ksc h LYS 482 Cb 1.17 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 3ksc h LYS 482 CO 0.69 -0.46 -0.29 0.34 -3.45 0.00 0.00 179.45 176.28 3ksc n PHE 483 N -4.39 0.00 -2.58 1.91 7.35 -1.26 -3.20 117.46 115.28 3ksc n PHE 483 Ca -0.09 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.20 3ksc n PHE 483 Cb 0.28 0.11 -0.05 0.00 0.35 0.00 0.00 39.48 40.18 3ksc n PHE 483 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3ksc s LEU 484 N -4.13 4.57 -0.17 -2.13 1.02 -1.26 -1.32 118.68 115.26 3ksc s LEU 484 Ca 0.00 2.11 0.01 0.00 0.02 0.00 0.00 54.13 56.27 3ksc s LEU 484 Cb 0.00 -3.62 0.01 0.00 0.02 0.00 0.00 46.19 42.61 3ksc s LEU 484 CO 0.00 -0.06 -0.19 0.54 0.02 0.00 0.00 176.35 176.66 3ksc s VAL 485 N -0.92 2.21 0.74 -1.59 0.11 0.93 -4.76 120.40 117.11 3ksc s VAL 485 Ca 0.44 -0.91 -0.15 0.00 -2.93 0.00 0.00 61.98 58.44 3ksc s VAL 485 Cb -0.29 -1.92 0.04 0.00 -1.53 0.00 0.00 36.38 32.68 3ksc s VAL 485 CO 0.36 0.53 1.19 -2.84 -3.33 0.00 0.00 175.10 171.02 3ksc s PRO 486 N 1.12 2.12 0.75 1.54 0.02 -1.26 -0.72 135.00 138.56 3ksc s PRO 486 Ca 0.00 1.71 -0.15 0.00 0.02 0.00 0.00 61.00 62.58 3ksc s PRO 486 Cb -0.14 -1.84 0.01 0.00 0.02 0.00 0.00 34.50 32.56 3ksc s PRO 486 CO -0.08 -1.84 0.90 0.00 -0.33 0.00 0.00 177.00 175.65 3ksc n ALA 487 N -2.81 -0.56 -1.47 -1.55 0.00 -1.14 -4.74 120.51 108.24 3ksc n ALA 487 Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3ksc n ALA 487 Cb 0.50 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.88 3ksc n ALA 487 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3ksc n ARG 488 N -1.88 1.48 0.00 0.00 -4.01 -1.26 -4.98 116.66 106.00 3ksc n ARG 488 Ca 0.12 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.93 3ksc n ARG 488 Cb 0.50 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.92 3ksc n ARG 488 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98