#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ksc n ASN 8 N 0.00 6.04 -0.38 1.69 4.13 -1.26 -4.81 115.26 120.67 3ksc n ASN 8 Ca 0.00 -3.77 0.32 0.00 1.68 0.00 0.00 54.58 52.81 3ksc n ASN 8 Cb 0.00 -0.66 0.63 0.00 -1.54 0.00 0.00 39.78 38.21 3ksc n ASN 8 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 3ksc h GLU 9 N 2.40 0.17 -0.68 3.52 4.11 -1.97 0.15 114.58 122.28 3ksc h GLU 9 Ca 0.45 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.87 3ksc h GLU 9 Cb 0.92 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.13 3ksc h GLU 9 CO 1.11 0.11 0.00 0.00 0.07 0.00 0.00 179.01 180.31 3ksc n GLN 11 N 1.26 3.20 -3.10 0.00 7.27 0.53 -4.95 117.38 121.59 3ksc n GLN 11 Ca 0.26 -3.04 -0.40 0.00 0.07 0.00 0.00 57.00 53.89 3ksc n GLN 11 Cb 0.87 -3.13 -0.06 0.00 2.41 0.00 0.00 30.24 30.33 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 1.20 4.10 -0.15 1.69 1.43 -1.26 -4.93 118.68 120.77 3ksc s LEU 12 Ca 0.44 0.79 0.06 0.00 -1.03 0.00 0.00 54.13 54.39 3ksc s LEU 12 Cb 0.12 -2.90 -0.23 0.00 0.03 0.00 0.00 46.19 43.21 3ksc s LEU 12 CO -0.04 -0.34 0.25 -1.84 0.23 0.00 0.00 176.35 174.61 3ksc n GLU 13 N 5.43 0.68 -3.99 1.70 0.00 -1.26 -4.90 120.64 118.30 3ksc n GLU 13 Ca -0.00 0.19 -0.18 0.00 0.00 0.00 0.00 57.16 57.16 3ksc n GLU 13 Cb 0.49 -1.65 -0.16 0.00 0.00 0.00 0.00 31.44 30.12 3ksc n GLU 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 3ksc s ARG 14 N -2.55 0.47 0.23 3.44 3.00 -1.26 -4.50 118.95 117.79 3ksc s ARG 14 Ca -0.17 0.02 0.05 0.00 -1.00 0.00 0.00 55.73 54.63 3ksc s ARG 14 Cb 0.07 -0.61 -0.03 0.00 0.00 0.00 0.00 34.95 34.38 3ksc s ARG 14 CO 0.76 -0.13 0.30 -0.51 0.00 0.00 0.00 175.30 175.73 3ksc s LEU 15 N 1.04 4.17 0.01 -0.88 1.43 0.26 -5.00 118.68 119.71 3ksc s LEU 15 Ca -0.09 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 3ksc s LEU 15 Cb -0.14 -2.71 -0.01 0.00 0.03 0.00 0.00 46.19 43.36 3ksc s LEU 15 CO -0.01 -0.05 -0.02 -1.81 0.23 0.00 0.00 176.35 174.69 3ksc s ASP 16 N -3.84 0.25 -0.15 2.29 1.11 -1.26 -4.78 116.67 110.28 3ksc s ASP 16 Ca 0.34 -0.24 -0.29 0.00 0.18 0.00 0.00 52.55 52.54 3ksc s ASP 16 Cb -0.09 0.03 -0.03 0.00 1.07 0.00 0.00 42.92 43.89 3ksc s ASP 16 CO 0.28 -0.11 1.58 0.00 1.18 0.00 0.00 175.17 178.09 3ksc s ALA 17 N -0.65 3.45 -0.06 5.23 0.00 -1.26 -4.64 121.76 123.83 3ksc s ALA 17 Ca -0.06 0.64 -0.02 0.00 0.00 0.00 0.00 51.96 52.51 3ksc s ALA 17 Cb -0.05 -3.78 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 3ksc s ALA 17 CO -0.00 -1.64 0.06 -0.51 0.00 0.00 0.00 175.76 173.67 3ksc s LEU 18 N 4.56 3.89 0.29 0.00 1.43 0.93 -4.85 118.68 124.93 3ksc s LEU 18 Ca 0.70 0.21 0.08 0.00 -1.03 0.00 0.00 54.13 54.09 3ksc s LEU 18 Cb -0.27 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 3ksc s LEU 18 CO 0.27 0.34 0.20 -1.61 0.23 0.00 0.00 176.35 175.78 3ksc s GLU 19 N -1.28 2.70 0.72 1.70 2.02 -1.26 -1.23 118.70 122.06 3ksc s GLU 19 Ca 0.18 -1.25 -0.15 0.00 0.02 0.00 0.00 54.97 53.77 3ksc s GLU 19 Cb -0.12 -2.43 0.03 0.00 0.10 0.00 0.00 34.13 31.72 3ksc s GLU 19 CO 0.08 0.25 1.17 -2.14 0.02 0.00 0.00 175.26 174.64 3ksc s PRO 20 N -3.87 2.29 0.00 0.39 0.02 -1.26 -4.79 135.00 127.78 3ksc s PRO 20 Ca 0.36 1.63 0.05 0.00 0.02 0.00 0.00 61.00 63.06 3ksc s PRO 20 Cb -0.06 -1.87 0.07 0.00 0.02 0.00 0.00 34.50 32.66 3ksc s PRO 20 CO 0.24 -1.69 0.80 -0.40 -0.33 0.00 0.00 177.00 175.63 3ksc n ASP 21 N -2.70 1.72 -3.86 2.53 5.68 -0.28 -4.94 116.55 114.70 3ksc n ASP 21 Ca 0.12 -1.46 -0.11 0.00 -0.50 0.00 0.00 54.79 52.84 3ksc n ASP 21 Cb 0.51 -0.03 -0.11 0.00 -1.14 0.00 0.00 41.12 40.34 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 -0.59 -0.03 -0.03 -1.12 -0.87 -1.16 -5.04 114.94 106.10 3ksc s ASN 22 Ca 0.07 -0.01 0.07 0.00 -1.57 0.00 0.00 52.86 51.42 3ksc s ASN 22 Cb 0.04 0.22 -0.02 0.00 -0.02 0.00 0.00 41.25 41.48 3ksc s ASN 22 CO 0.06 -0.20 -0.24 -0.13 -2.57 0.00 0.00 177.10 174.02 3ksc s ARG 23 N -0.65 2.17 -0.29 -0.60 0.52 -1.26 -1.78 118.95 117.05 3ksc s ARG 23 Ca -0.07 -0.87 0.01 0.00 -0.52 0.00 0.00 55.73 54.27 3ksc s ARG 23 Cb -0.04 -1.99 0.09 0.00 0.52 0.00 0.00 34.95 33.52 3ksc s ARG 23 CO 0.01 0.46 0.03 0.42 0.02 0.00 0.00 175.30 176.24 3ksc s ILE 24 N -0.40 1.48 0.16 1.52 1.01 0.87 -5.00 121.20 120.83 3ksc s ILE 24 Ca 0.04 -1.58 -0.29 0.00 0.00 0.00 0.00 60.65 58.83 3ksc s ILE 24 Cb -0.11 -1.98 -0.07 0.00 0.01 0.00 0.00 42.46 40.31 3ksc s ILE 24 CO 0.01 -0.45 0.91 -1.61 0.00 0.00 0.00 174.94 173.80 3ksc s GLU 25 N 1.35 4.72 0.34 2.79 2.02 -1.26 -1.68 118.70 126.98 3ksc s GLU 25 Ca 0.05 1.39 0.04 0.00 0.02 0.00 0.00 54.97 56.46 3ksc s GLU 25 Cb -0.18 -3.33 -0.06 0.00 0.10 0.00 0.00 34.13 30.66 3ksc s GLU 25 CO -0.13 0.37 0.06 -1.54 0.02 0.00 0.00 175.26 174.03 3ksc s SER 26 N -0.56 2.55 0.19 -0.19 1.04 -0.74 -4.87 113.70 111.12 3ksc s SER 26 Ca 0.43 -1.40 -0.20 0.00 0.48 0.00 0.00 55.95 55.25 3ksc s SER 26 Cb -0.24 -0.06 0.12 0.00 0.10 0.00 0.00 66.02 65.94 3ksc s SER 26 CO 0.29 -0.62 1.59 -0.08 0.98 0.00 0.00 173.24 175.41 3ksc h GLU 27 N 2.05 -0.16 -0.55 4.02 4.81 -1.13 -2.90 114.58 120.73 3ksc h GLU 27 Ca -0.41 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 3ksc h GLU 27 Cb 1.25 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3ksc h GLU 27 CO 0.70 -0.10 0.00 0.41 -0.73 0.00 0.00 179.01 179.28 3ksc n GLY 28 N -1.43 2.84 0.00 1.92 0.00 -0.41 -4.74 105.19 103.37 3ksc n GLY 28 Ca 0.04 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 0.91 -0.77 3.36 -0.02 0.00 -1.10 -1.25 105.19 106.33 3ksc n GLY 29 Ca 0.21 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 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 0.22 -0.12 0.99 2.96 -0.42 -1.80 118.68 120.51 3ksc s LEU 30 Ca 0.00 0.88 0.02 0.00 -0.22 0.00 0.00 54.13 54.81 3ksc s LEU 30 Cb 0.00 1.63 0.01 0.00 0.50 0.00 0.00 46.19 48.33 3ksc s LEU 30 CO 0.00 -0.20 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.00 3ksc s ILE 31 N 0.08 1.84 -0.09 6.68 1.01 -0.67 -0.22 121.20 129.83 3ksc s ILE 31 Ca -0.01 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.79 3ksc s ILE 31 Cb -0.03 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 3ksc s ILE 31 CO 0.01 0.51 -0.10 -1.61 0.00 0.00 0.00 174.94 173.76 3ksc s GLU 32 N 0.79 2.96 -0.04 2.79 2.02 0.73 -0.09 118.70 127.87 3ksc s GLU 32 Ca -0.09 -0.61 0.06 0.00 0.02 0.00 0.00 54.97 54.35 3ksc s GLU 32 Cb -0.16 -2.60 -0.02 0.00 0.10 0.00 0.00 34.13 31.46 3ksc s GLU 32 CO 0.00 0.50 -0.22 0.95 0.02 0.00 0.00 175.26 176.51 3ksc s THR 33 N -0.37 2.42 0.04 3.63 -4.23 -0.74 -0.58 115.64 115.81 3ksc s THR 33 Ca 0.05 -0.96 -0.17 0.00 -1.18 0.00 0.00 61.69 59.43 3ksc s THR 33 Cb -0.12 -1.89 -0.06 0.00 1.34 0.00 0.00 72.50 71.76 3ksc s THR 33 CO 0.02 0.58 0.48 0.26 -0.54 0.00 0.00 174.62 175.43 3ksc s TRP 34 N -0.56 3.76 -0.10 3.99 0.51 -0.63 -1.12 118.94 124.78 3ksc s TRP 34 Ca 0.08 1.12 -0.29 0.00 -2.12 0.00 0.00 56.10 54.89 3ksc s TRP 34 Cb -0.11 -2.38 -0.06 0.00 -0.81 0.00 0.00 33.47 30.11 3ksc s TRP 34 CO 0.00 0.62 1.91 1.21 -0.51 0.00 0.00 176.95 180.18 3ksc s ASN 35 N -1.11 6.20 0.36 2.95 3.84 -1.26 -4.46 114.94 121.45 3ksc s ASN 35 Ca 0.26 2.17 0.27 0.00 0.21 0.00 0.00 52.86 55.77 3ksc s ASN 35 Cb -0.18 -2.53 1.23 0.00 -0.55 0.00 0.00 41.25 39.22 3ksc s ASN 35 CO 0.16 -1.32 1.80 1.55 -2.79 0.00 0.00 177.10 176.50 3ksc h PRO 36 N 11.67 0.00 0.00 0.43 0.13 -1.94 -2.99 132.00 139.30 3ksc h PRO 36 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3ksc h PRO 36 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3ksc h PRO 36 CO 0.96 0.00 -0.52 -0.91 -0.23 0.00 0.00 178.00 177.30 3ksc h ASN 37 N 0.00 0.00 -2.68 1.44 -0.26 -1.94 -3.33 115.58 108.82 3ksc h ASN 37 Ca 0.00 -0.01 -0.59 0.00 -0.56 0.00 0.00 56.30 55.14 3ksc h ASN 37 Cb 0.26 0.00 0.09 0.00 -1.06 0.00 0.00 38.32 37.61 3ksc h ASN 37 CO 0.00 0.01 0.49 -3.20 -1.06 0.00 0.00 177.43 173.66 3ksc n ASN 38 N -2.81 2.39 0.24 5.81 2.85 -1.13 -4.78 115.26 117.83 3ksc n ASN 38 Ca 0.02 1.16 0.13 0.00 -0.11 0.00 0.00 54.58 55.78 3ksc n ASN 38 Cb 0.53 -1.39 0.76 0.00 1.24 0.00 0.00 39.78 40.92 3ksc n ASN 38 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 3ksc h LYS 39 N 3.50 0.00 -0.38 1.20 3.64 -1.91 -1.78 116.57 120.83 3ksc h LYS 39 Ca -0.44 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.92 3ksc h LYS 39 Cb 1.29 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.10 3ksc h LYS 39 CO 0.70 0.00 0.16 1.96 -2.27 0.00 0.00 179.45 180.00 3ksc h GLN 40 N 0.00 0.56 -0.07 1.90 4.20 -1.90 -0.55 115.11 119.25 3ksc h GLN 40 Ca 0.03 -0.10 -0.22 0.00 0.06 0.00 0.00 58.65 58.42 3ksc h GLN 40 Cb 0.16 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 27.85 3ksc h GLN 40 CO -0.00 0.53 -0.86 0.74 -0.67 0.00 0.00 178.83 178.58 3ksc h PHE 41 N 0.47 0.82 -0.68 2.96 0.04 -1.64 -1.73 116.94 117.18 3ksc h PHE 41 Ca 0.13 -0.40 -0.02 0.00 2.80 0.00 0.00 57.97 60.48 3ksc h PHE 41 Cb 0.18 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.18 3ksc h PHE 41 CO -0.00 1.21 0.35 0.00 -0.60 0.00 0.00 178.31 179.26 3ksc h ARG 42 N 0.37 0.97 -0.08 1.51 3.08 -1.32 0.94 114.38 119.86 3ksc h ARG 42 Ca -0.07 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3ksc h ARG 42 Cb 1.48 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 3ksc h ARG 42 CO 0.16 0.75 0.04 0.00 -1.07 0.00 0.00 179.97 179.85 3ksc h ALA 44 N 1.04 1.26 -0.93 0.00 0.00 -0.78 -3.47 119.26 116.38 3ksc h ALA 44 Ca 0.03 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 3ksc h ALA 44 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3ksc h ALA 44 CO -0.02 0.16 -0.17 0.41 0.00 0.00 0.00 179.25 179.63 3ksc n GLY 45 N -0.61 0.15 3.26 0.00 0.00 0.32 -4.88 105.19 103.43 3ksc n GLY 45 Ca -0.02 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.34 0.81 0.16 1.61 -7.23 -0.82 -1.02 120.40 111.57 3ksc s VAL 46 Ca 0.00 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.28 3ksc s VAL 46 Cb 0.00 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 3ksc s VAL 46 CO 0.00 -0.50 -0.25 0.00 -0.31 0.00 0.00 175.10 174.04 3ksc s ALA 47 N -3.56 2.45 -0.04 1.32 0.00 -0.71 -4.57 121.76 116.65 3ksc s ALA 47 Ca 0.23 -1.55 0.04 0.00 0.00 0.00 0.00 51.96 50.68 3ksc s ALA 47 Cb 0.05 -0.35 -0.00 0.00 0.00 0.00 0.00 23.12 22.82 3ksc s ALA 47 CO 0.04 0.48 -0.16 -1.17 0.00 0.00 0.00 175.76 174.96 3ksc s LEU 48 N -2.36 1.89 0.14 0.00 0.20 -1.26 -1.36 118.68 115.94 3ksc s LEU 48 Ca 0.17 -0.32 -0.07 0.00 0.69 0.00 0.00 54.13 54.60 3ksc s LEU 48 Cb -0.09 -0.89 -0.02 0.00 -0.43 0.00 0.00 46.19 44.77 3ksc s LEU 48 CO 0.08 0.14 0.21 -0.94 -0.29 0.00 0.00 176.35 175.55 3ksc s SER 49 N 0.05 0.12 -0.04 3.68 1.04 -0.75 -1.61 113.70 116.19 3ksc s SER 49 Ca -0.03 -0.91 -0.01 0.00 0.48 0.00 0.00 55.95 55.47 3ksc s SER 49 Cb -0.11 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.43 3ksc s SER 49 CO 0.02 -0.82 0.04 -0.60 0.98 0.00 0.00 173.24 172.85 3ksc s ARG 50 N -3.97 0.08 -0.09 4.02 3.52 0.25 -0.00 118.95 122.76 3ksc s ARG 50 Ca 0.16 0.28 -0.00 0.00 -0.13 0.00 0.00 55.73 56.04 3ksc s ARG 50 Cb 0.05 -0.55 -0.03 0.00 -1.56 0.00 0.00 34.95 32.86 3ksc s ARG 50 CO -0.02 -0.28 -0.07 0.00 -0.81 0.00 0.00 175.30 174.12 3ksc s ALA 51 N 1.88 2.93 -0.16 6.12 0.00 0.11 -0.19 121.76 132.45 3ksc s ALA 51 Ca 0.02 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.11 3ksc s ALA 51 Cb -0.12 -1.29 0.01 0.00 0.00 0.00 0.00 23.12 21.72 3ksc s ALA 51 CO -0.03 0.45 -0.19 0.99 0.00 0.00 0.00 175.76 176.98 3ksc s THR 52 N -0.40 2.23 -0.28 0.00 2.01 0.70 -0.40 115.64 119.50 3ksc s THR 52 Ca 0.06 -0.90 -0.06 0.00 0.31 0.00 0.00 61.69 61.09 3ksc s THR 52 Cb -0.12 -1.93 0.00 0.00 0.01 0.00 0.00 72.50 70.46 3ksc s THR 52 CO 0.02 0.53 0.06 -0.76 -0.69 0.00 0.00 174.62 173.79 3ksc s LEU 53 N 1.04 3.65 1.11 4.42 1.43 0.58 -1.29 118.68 129.61 3ksc s LEU 53 Ca -0.01 -0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 52.37 3ksc s LEU 53 Cb -0.14 -1.87 0.25 0.00 0.03 0.00 0.00 46.19 44.46 3ksc s LEU 53 CO -0.06 -0.14 1.05 -1.10 0.23 0.00 0.00 176.35 176.33 3ksc s GLN 54 N 1.51 -0.48 0.22 1.70 -1.52 -0.38 -0.68 119.66 120.04 3ksc s GLN 54 Ca 0.04 0.87 -0.31 0.00 -1.95 0.00 0.00 55.36 54.01 3ksc s GLN 54 Cb -0.16 -1.60 -0.15 0.00 -0.22 0.00 0.00 33.01 30.88 3ksc s GLN 54 CO 0.02 -3.44 1.18 -2.13 -0.25 0.00 0.00 175.29 170.67 3ksc n ARG 55 N -4.72 1.44 -3.76 2.91 0.63 -1.26 -2.40 116.66 109.50 3ksc n ARG 55 Ca 0.04 0.51 -0.25 0.00 -0.92 0.00 0.00 57.85 57.24 3ksc n ARG 55 Cb 0.54 -2.01 0.04 0.00 0.45 0.00 0.00 32.46 31.48 3ksc n ARG 55 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3ksc n ASN 56 N 1.80 -2.97 -4.46 6.15 4.13 -0.32 -4.84 115.26 114.76 3ksc n ASN 56 Ca 0.12 -0.77 -0.30 0.00 1.68 0.00 0.00 54.58 55.31 3ksc n ASN 56 Cb 0.28 -4.12 -0.12 0.00 -1.54 0.00 0.00 39.78 34.28 3ksc n ASN 56 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ksc s ALA 57 N -3.49 2.59 -0.18 5.41 0.00 -1.01 0.27 121.76 125.35 3ksc s ALA 57 Ca 0.29 -1.32 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 3ksc s ALA 57 Cb -0.14 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 3ksc s ALA 57 CO 0.81 0.58 -0.10 -1.17 0.00 0.00 0.00 175.76 175.87 3ksc s LEU 58 N -1.88 2.70 -0.94 0.00 0.20 0.59 -1.52 118.68 117.82 3ksc s LEU 58 Ca 0.16 -0.41 -0.22 0.00 0.69 0.00 0.00 54.13 54.35 3ksc s LEU 58 Cb -0.10 -1.65 0.07 0.00 -0.43 0.00 0.00 46.19 44.08 3ksc s LEU 58 CO 0.08 0.05 1.32 -0.60 -0.29 0.00 0.00 176.35 176.91 3ksc s ARG 59 N 1.02 3.52 0.49 1.98 6.06 0.25 -1.36 118.95 130.91 3ksc s ARG 59 Ca -0.01 -1.18 -0.22 0.00 -2.50 0.00 0.00 55.73 51.82 3ksc s ARG 59 Cb -0.15 -5.05 -0.08 0.00 0.06 0.00 0.00 34.95 29.73 3ksc s ARG 59 CO -0.01 -2.06 1.05 0.54 -2.50 0.00 0.00 175.30 172.32 3ksc n ARG 60 N 8.24 1.32 -1.64 5.12 1.74 -1.05 -2.28 116.66 128.11 3ksc n ARG 60 Ca 0.25 0.48 -0.47 0.00 -0.77 0.00 0.00 57.85 57.35 3ksc n ARG 60 Cb 0.50 -2.17 -0.03 0.00 -1.02 0.00 0.00 32.46 29.73 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 -0.32 1.74 -3.88 5.56 -0.02 -1.26 -4.81 135.00 132.01 3ksc n PRO 61 Ca 0.10 0.62 -0.10 0.00 -2.02 0.00 0.00 63.50 62.11 3ksc n PRO 61 Cb 0.42 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 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 0.06 0.21 0.07 6.00 1.13 -0.96 -2.64 117.35 121.23 3ksc s TYR 62 Ca 0.72 -0.57 0.00 0.00 -1.41 0.00 0.00 57.07 55.81 3ksc s TYR 62 Cb -0.73 0.10 -0.04 0.00 -1.10 0.00 0.00 41.96 40.19 3ksc s TYR 62 CO 0.49 -0.79 -0.04 1.52 -2.51 0.00 0.00 175.55 174.22 3ksc s TYR 63 N -3.93 0.65 0.12 -3.49 -0.85 -0.22 -1.65 117.35 107.98 3ksc s TYR 63 Ca 0.14 -0.98 0.04 0.00 -0.52 0.00 0.00 57.07 55.75 3ksc s TYR 63 Cb 0.02 -0.43 -0.04 0.00 0.38 0.00 0.00 41.96 41.89 3ksc s TYR 63 CO -0.01 -0.28 -0.10 0.45 -1.52 0.00 0.00 175.55 174.09 3ksc s SER 64 N -2.88 1.61 -0.03 -0.18 0.15 -1.26 -0.02 113.70 111.09 3ksc s SER 64 Ca 0.08 -0.93 0.08 0.00 0.70 0.00 0.00 55.95 55.87 3ksc s SER 64 Cb 0.06 0.01 0.27 0.00 -1.71 0.00 0.00 66.02 64.64 3ksc s SER 64 CO -0.07 -0.31 1.13 -0.46 1.20 0.00 0.00 173.24 174.72 3ksc n ASN 65 N 0.11 1.93 -3.90 5.45 6.94 -1.25 -0.54 115.26 123.99 3ksc n ASN 65 Ca -0.13 -2.12 -0.09 0.00 -0.02 0.00 0.00 54.58 52.23 3ksc n ASN 65 Cb 0.59 -0.31 -0.07 0.00 -2.36 0.00 0.00 39.78 37.63 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 -1.64 -0.11 0.63 -2.53 0.00 -1.26 -3.91 121.76 112.94 3ksc s ALA 66 Ca 0.19 -0.74 -0.17 0.00 0.00 0.00 0.00 51.96 51.25 3ksc s ALA 66 Cb 0.12 0.61 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 3ksc s ALA 66 CO 0.11 -0.55 1.15 -2.14 0.00 0.00 0.00 175.76 174.33 3ksc s PRO 67 N -3.90 2.84 -0.02 0.00 0.02 -1.26 -4.36 135.00 128.32 3ksc s PRO 67 Ca 0.09 1.61 0.06 0.00 0.02 0.00 0.00 61.00 62.78 3ksc s PRO 67 Cb 0.05 -1.94 -0.01 0.00 0.02 0.00 0.00 34.50 32.61 3ksc s PRO 67 CO -0.07 -1.26 -0.21 -0.65 -0.33 0.00 0.00 177.00 174.48 3ksc s GLN 68 N -3.70 1.85 -0.20 5.54 -0.21 0.48 -1.07 119.66 122.34 3ksc s GLN 68 Ca 0.72 -0.77 -0.03 0.00 0.02 0.00 0.00 55.36 55.31 3ksc s GLN 68 Cb -0.25 -1.73 -0.01 0.00 1.00 0.00 0.00 33.01 32.02 3ksc s GLN 68 CO 0.37 0.43 -0.08 -2.00 -2.12 0.00 0.00 175.29 171.89 3ksc s GLU 69 N -0.40 3.33 -0.09 2.91 2.12 -0.35 -0.76 118.70 125.46 3ksc s GLU 69 Ca 0.06 -0.66 0.02 0.00 0.36 0.00 0.00 54.97 54.74 3ksc s GLU 69 Cb -0.09 -2.89 -0.02 0.00 0.26 0.00 0.00 34.13 31.39 3ksc s GLU 69 CO 0.00 -0.13 -0.15 0.42 -0.54 0.00 0.00 175.26 174.86 3ksc s ILE 70 N 1.27 2.95 -0.15 -3.70 1.01 -0.16 -0.18 121.20 122.23 3ksc s ILE 70 Ca 0.03 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 3ksc s ILE 70 Cb -0.14 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.11 3ksc s ILE 70 CO -0.03 0.55 -0.07 0.12 0.00 0.00 0.00 174.94 175.51 3ksc s PHE 71 N -0.09 2.94 -0.63 3.97 5.36 0.70 -0.35 117.98 129.89 3ksc s PHE 71 Ca -0.02 -0.47 -0.23 0.00 -0.96 0.00 0.00 56.93 55.24 3ksc s PHE 71 Cb -0.14 -1.93 0.06 0.00 -0.34 0.00 0.00 43.02 40.67 3ksc s PHE 71 CO 0.04 -0.14 0.98 0.42 -1.46 0.00 0.00 175.22 175.06 3ksc s ILE 72 N 0.46 4.29 0.26 3.12 -1.09 -0.63 -0.57 121.20 127.03 3ksc s ILE 72 Ca -0.06 -0.06 0.08 0.00 -2.23 0.00 0.00 60.65 58.37 3ksc s ILE 72 Cb -0.15 -4.65 -0.03 0.00 -1.58 0.00 0.00 42.46 36.05 3ksc s ILE 72 CO 0.03 -1.37 1.59 -0.61 -1.23 0.00 0.00 174.94 173.35 3ksc h GLN 73 N 9.52 0.12 -1.76 2.79 4.15 -0.73 0.22 115.11 129.40 3ksc h GLN 73 Ca -0.28 -0.08 0.03 0.00 0.77 0.00 0.00 58.65 59.10 3ksc h GLN 73 Cb 1.07 0.01 -0.24 0.00 0.21 0.00 0.00 27.48 28.53 3ksc h GLN 73 CO 1.16 0.69 0.29 -1.14 -1.93 0.00 0.00 178.83 177.89 3ksc s GLN 74 N -3.69 0.61 0.00 1.69 0.74 -1.14 -4.71 119.66 113.15 3ksc s GLN 74 Ca -0.03 0.82 0.00 0.00 0.05 0.00 0.00 55.36 56.20 3ksc s GLN 74 Cb 0.12 0.25 0.00 0.00 1.10 0.00 0.00 33.01 34.48 3ksc s GLN 74 CO 0.78 -0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.84 3ksc n GLY 75 N 2.90 1.11 3.22 2.59 0.00 -1.26 -0.63 105.19 113.12 3ksc n GLY 75 Ca -0.15 -2.13 -0.09 0.00 0.00 0.00 0.00 46.02 43.65 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 0.00 0.19 0.00 1.61 -0.87 -1.26 -1.11 114.94 113.50 3ksc s ASN 76 Ca 0.00 -0.91 0.00 0.00 -1.57 0.00 0.00 52.86 50.38 3ksc s ASN 76 Cb 0.00 0.34 0.00 0.00 -0.02 0.00 0.00 41.25 41.57 3ksc s ASN 76 CO 0.00 -0.76 0.00 0.61 -2.57 0.00 0.00 177.10 174.38 3ksc n GLY 77 N -0.09 -0.71 3.36 0.66 0.00 -1.03 -4.47 105.19 102.90 3ksc n GLY 77 Ca -0.10 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 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 -4.00 2.00 0.04 1.61 2.02 0.17 -1.58 117.35 117.61 3ksc s TYR 78 Ca 0.00 -0.42 -0.08 0.00 -0.37 0.00 0.00 57.07 56.20 3ksc s TYR 78 Cb 0.00 -1.02 -0.00 0.00 -0.40 0.00 0.00 41.96 40.54 3ksc s TYR 78 CO 0.00 0.36 0.16 -0.59 -1.57 0.00 0.00 175.55 173.91 3ksc s PHE 79 N -1.66 0.12 0.02 2.71 -0.71 -0.31 0.08 117.98 118.23 3ksc s PHE 79 Ca 0.15 -0.39 0.02 0.00 -1.04 0.00 0.00 56.93 55.67 3ksc s PHE 79 Cb -0.08 -0.07 -0.02 0.00 -1.21 0.00 0.00 43.02 41.64 3ksc s PHE 79 CO 0.07 -0.42 -0.06 0.20 -1.34 0.00 0.00 175.22 173.67 3ksc s GLY 80 N -2.17 0.38 -0.01 1.99 0.00 -0.53 -1.46 107.32 105.52 3ksc s GLY 80 Ca -0.04 -0.55 0.05 0.00 0.00 0.00 0.00 44.72 44.19 3ksc s GLY 80 CO -0.05 -0.57 -0.18 1.06 0.00 0.00 0.00 173.10 173.37 3ksc s MET 81 N -1.04 1.42 -0.44 2.90 -1.94 -1.26 -1.72 119.30 117.22 3ksc s MET 81 Ca -0.06 -0.64 -0.12 0.00 -1.71 0.00 0.00 55.69 53.16 3ksc s MET 81 Cb -0.07 -1.37 0.07 0.00 2.01 0.00 0.00 34.83 35.47 3ksc s MET 81 CO 0.00 0.38 0.32 0.08 -0.01 0.00 0.00 175.02 175.79 3ksc s VAL 82 N -0.43 4.70 -0.41 -6.03 1.01 -0.55 -4.76 120.40 113.94 3ksc s VAL 82 Ca 0.07 -1.22 -0.17 0.00 0.00 0.00 0.00 61.98 60.65 3ksc s VAL 82 Cb -0.07 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.49 3ksc s VAL 82 CO -0.01 -0.53 0.43 -0.36 0.00 0.00 0.00 175.10 174.63 3ksc s PHE 83 N 1.53 3.18 -0.11 5.22 0.08 -1.26 -4.15 117.98 122.46 3ksc s PHE 83 Ca 0.03 -0.32 -0.37 0.00 0.12 0.00 0.00 56.93 56.39 3ksc s PHE 83 Cb -0.23 -2.86 -0.15 0.00 -0.57 0.00 0.00 43.02 39.21 3ksc s PHE 83 CO 0.04 -0.66 1.68 -2.30 -0.10 0.00 0.00 175.22 173.89 3ksc n PRO 84 N 5.57 1.53 -1.36 0.24 -0.02 -1.26 -2.77 135.00 136.94 3ksc n PRO 84 Ca -0.07 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3ksc n PRO 84 Cb 0.48 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 3.84 0.88 3.51 -1.23 0.00 -1.26 -5.09 105.19 105.84 3ksc n GLY 85 Ca 0.23 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 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 2.03 1.81 -1.56 0.00 -0.02 -1.26 -5.00 135.00 131.01 3ksc n PRO 87 Ca -0.17 0.65 -0.05 0.00 -2.02 0.00 0.00 63.50 61.91 3ksc n PRO 87 Cb 0.52 -2.44 0.02 0.00 -0.02 0.00 0.00 33.50 31.59 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 -0.34 0.90 -1.12 -0.52 1.02 -1.26 -4.87 120.64 114.45 3ksc n GLU 88 Ca 0.08 -0.87 0.04 0.00 -0.02 0.00 0.00 57.16 56.39 3ksc n GLU 88 Cb 0.42 -0.06 0.05 0.00 -0.02 0.00 0.00 31.44 31.82 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 -1.34 0.40 -1.40 2.62 -2.24 0.73 -4.93 114.28 108.12 3ksc n THR 89 Ca 0.04 -1.18 0.00 0.00 -2.27 0.00 0.00 64.05 60.64 3ksc n THR 89 Cb 0.17 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 3ksc n THR 89 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3ksc n ARG 105 N 0.09 -0.45 -3.70 -0.78 3.00 -1.26 -2.32 116.66 111.25 3ksc n ARG 105 Ca 0.07 -0.14 -0.39 0.00 -0.00 0.00 0.00 57.85 57.39 3ksc n ARG 105 Cb 0.98 0.25 -0.12 0.00 0.00 0.00 0.00 32.46 33.57 3ksc n ARG 105 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3ksc s ASP 106 N -1.82 5.47 0.29 6.15 -1.08 -1.26 -5.15 116.67 119.27 3ksc s ASP 106 Ca 0.00 -1.10 -0.09 0.00 -0.52 0.00 0.00 52.55 50.84 3ksc s ASP 106 Cb 0.00 -1.92 -0.07 0.00 -1.46 0.00 0.00 42.92 39.47 3ksc s ASP 106 CO 0.00 -0.35 0.62 -0.13 0.52 0.00 0.00 175.17 175.83 3ksc s ARG 107 N 1.45 3.79 0.08 4.34 3.00 -1.26 -5.08 118.95 125.27 3ksc s ARG 107 Ca -0.00 0.31 -0.26 0.00 0.00 0.00 0.00 55.73 55.77 3ksc s ARG 107 Cb -0.19 -2.57 0.09 0.00 0.00 0.00 0.00 34.95 32.28 3ksc s ARG 107 CO 0.04 0.21 1.16 -3.38 0.00 0.00 0.00 175.30 173.32 3ksc s HIS 108 N -2.00 -0.00 0.69 -0.53 -3.43 -0.98 -4.94 115.29 104.10 3ksc s HIS 108 Ca 0.48 -0.23 -0.04 0.00 -0.80 0.00 0.00 55.06 54.47 3ksc s HIS 108 Cb -0.11 0.62 0.08 0.00 -1.43 0.00 0.00 32.58 31.74 3ksc s HIS 108 CO 0.24 -0.57 0.98 -0.65 -2.00 0.00 0.00 174.74 172.74 3ksc s GLN 109 N -2.37 2.03 0.03 -0.38 -0.21 -1.26 -0.19 119.66 117.32 3ksc s GLN 109 Ca 0.20 -0.58 -0.30 0.00 0.02 0.00 0.00 55.36 54.70 3ksc s GLN 109 Cb 0.00 -2.25 -0.08 0.00 1.00 0.00 0.00 33.01 31.68 3ksc s GLN 109 CO 0.01 -1.26 1.80 0.21 -2.12 0.00 0.00 175.29 173.93 3ksc s LYS 110 N -5.16 4.16 -0.21 2.91 2.20 -1.26 -4.87 119.74 117.51 3ksc s LYS 110 Ca 0.62 2.44 -0.17 0.00 -0.36 0.00 0.00 55.97 58.50 3ksc s LYS 110 Cb -0.09 -3.91 -0.04 0.00 -1.51 0.00 0.00 37.83 32.28 3ksc s LYS 110 CO 0.44 -0.86 0.45 0.54 -0.36 0.00 0.00 175.35 175.56 3ksc s VAL 111 N 3.71 5.15 0.23 4.02 0.11 -1.26 -4.33 120.40 128.03 3ksc s VAL 111 Ca 0.80 0.81 0.07 0.00 -2.93 0.00 0.00 61.98 60.74 3ksc s VAL 111 Cb -0.40 -3.78 -0.04 0.00 -1.53 0.00 0.00 36.38 30.63 3ksc s VAL 111 CO 0.36 0.20 0.11 0.20 -3.33 0.00 0.00 175.10 172.65 3ksc s ASN 112 N 1.16 5.18 0.13 3.54 -0.87 -0.53 -4.93 114.94 118.61 3ksc s ASN 112 Ca 0.21 -0.35 -0.16 0.00 -1.57 0.00 0.00 52.86 50.99 3ksc s ASN 112 Cb -0.15 -1.22 -0.07 0.00 -0.02 0.00 0.00 41.25 39.79 3ksc s ASN 112 CO 0.09 0.00 0.56 -0.13 -2.57 0.00 0.00 177.10 175.05 3ksc s ARG 113 N -3.59 4.06 0.20 -0.60 0.52 -1.26 -1.16 118.95 117.13 3ksc s ARG 113 Ca 0.32 0.59 0.08 0.00 -0.52 0.00 0.00 55.73 56.20 3ksc s ARG 113 Cb -0.08 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.32 3ksc s ARG 113 CO 0.23 0.53 -0.01 -0.59 0.02 0.00 0.00 175.30 175.47 3ksc s PHE 114 N -1.35 2.77 0.05 -0.53 -0.12 -0.62 -4.92 117.98 113.26 3ksc s PHE 114 Ca 0.35 -0.17 0.03 0.00 -0.05 0.00 0.00 56.93 57.09 3ksc s PHE 114 Cb -0.17 -1.31 -0.02 0.00 -0.63 0.00 0.00 43.02 40.89 3ksc s PHE 114 CO 0.19 0.55 -0.10 1.03 -0.05 0.00 0.00 175.22 176.84 3ksc s ARG 115 N -3.16 0.63 0.03 1.99 0.52 -1.26 -2.47 118.95 115.22 3ksc s ARG 115 Ca 0.28 -0.77 -0.39 0.00 -0.52 0.00 0.00 55.73 54.34 3ksc s ARG 115 Cb -0.08 -0.49 -0.19 0.00 0.52 0.00 0.00 34.95 34.71 3ksc s ARG 115 CO 0.19 0.10 1.13 -1.91 0.02 0.00 0.00 175.30 174.83 3ksc n GLU 116 N 1.56 0.33 -0.91 3.54 2.13 -0.27 -0.61 120.64 126.41 3ksc n GLU 116 Ca -0.21 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.72 3ksc n GLU 116 Cb 0.55 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.62 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 1.79 0.53 3.80 8.31 0.00 0.76 -4.77 105.19 115.62 3ksc n GLY 117 Ca 0.19 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.09 6.75 -0.19 1.61 1.01 0.22 -0.94 116.67 123.04 3ksc s ASP 118 Ca 0.00 1.83 -0.03 0.00 0.71 0.00 0.00 52.55 55.06 3ksc s ASP 118 Cb 0.00 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 3ksc s ASP 118 CO 0.00 -0.49 -0.07 -0.63 0.21 0.00 0.00 175.17 174.18 3ksc s ILE 119 N -1.99 3.29 -0.13 0.77 -1.09 0.21 -1.60 121.20 120.65 3ksc s ILE 119 Ca 0.62 -0.54 -0.01 0.00 -2.23 0.00 0.00 60.65 58.49 3ksc s ILE 119 Cb -0.14 -2.46 -0.02 0.00 -1.58 0.00 0.00 42.46 38.26 3ksc s ILE 119 CO 0.18 0.46 -0.11 -0.63 -1.23 0.00 0.00 174.94 173.62 3ksc s ILE 120 N 1.05 3.26 -0.30 2.92 1.01 0.53 -1.90 121.20 127.77 3ksc s ILE 120 Ca 0.00 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 3ksc s ILE 120 Cb -0.15 -2.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 3ksc s ILE 120 CO -0.01 0.52 0.17 0.00 0.00 0.00 0.00 174.94 175.63 3ksc s ALA 121 N 0.33 3.40 -0.37 9.38 0.00 -0.54 -0.99 121.76 132.96 3ksc s ALA 121 Ca -0.09 -1.26 -0.05 0.00 0.00 0.00 0.00 51.96 50.57 3ksc s ALA 121 Cb -0.15 -2.44 0.08 0.00 0.00 0.00 0.00 23.12 20.60 3ksc s ALA 121 CO 0.05 -0.75 0.15 0.08 0.00 0.00 0.00 175.76 175.29 3ksc s VAL 122 N 1.69 3.49 0.93 0.00 1.01 0.07 -4.92 120.40 122.66 3ksc s VAL 122 Ca 0.06 -1.60 -0.11 0.00 0.00 0.00 0.00 61.98 60.33 3ksc s VAL 122 Cb -0.17 -3.18 0.15 0.00 0.00 0.00 0.00 36.38 33.19 3ksc s VAL 122 CO 0.08 -0.43 1.10 -2.84 0.00 0.00 0.00 175.10 173.02 3ksc s PRO 123 N 1.27 0.95 0.20 2.72 0.02 -1.26 -0.39 135.00 138.51 3ksc s PRO 123 Ca 0.02 1.17 -0.32 0.00 0.02 0.00 0.00 61.00 61.89 3ksc s PRO 123 Cb -0.22 -1.75 -0.13 0.00 0.02 0.00 0.00 34.50 32.43 3ksc s PRO 123 CO -0.01 -2.55 1.65 2.41 -0.33 0.00 0.00 177.00 178.17 3ksc n THR 124 N -4.14 0.14 -0.91 0.99 -1.04 -1.26 -2.53 114.28 105.52 3ksc n THR 124 Ca 0.08 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3ksc n THR 124 Cb 0.53 -1.83 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 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 3.55 0.95 3.68 3.41 0.00 0.29 -4.97 105.19 112.10 3ksc n GLY 125 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.63 4.80 0.29 -0.61 -1.09 -1.05 -4.79 121.20 115.12 3ksc s ILE 126 Ca 0.00 1.91 -0.29 0.00 -2.23 0.00 0.00 60.65 60.03 3ksc s ILE 126 Cb 0.00 -4.26 -0.10 0.00 -1.58 0.00 0.00 42.46 36.53 3ksc s ILE 126 CO 0.00 -0.01 1.33 -0.69 -1.23 0.00 0.00 174.94 174.34 3ksc s VAL 127 N 2.21 2.80 -0.05 2.92 1.01 -1.26 -4.55 120.40 123.47 3ksc s VAL 127 Ca 0.44 0.74 -0.06 0.00 0.00 0.00 0.00 61.98 63.11 3ksc s VAL 127 Cb -0.17 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.75 3ksc s VAL 127 CO 0.14 0.15 0.16 0.12 0.00 0.00 0.00 175.10 175.68 3ksc s PHE 128 N -0.69 -0.14 0.03 5.22 5.36 -0.66 -1.48 117.98 125.62 3ksc s PHE 128 Ca 0.52 0.35 -0.09 0.00 -0.96 0.00 0.00 56.93 56.75 3ksc s PHE 128 Cb -0.40 0.04 0.00 0.00 -0.34 0.00 0.00 43.02 42.33 3ksc s PHE 128 CO 0.48 -0.12 0.18 1.67 -1.46 0.00 0.00 175.22 175.98 3ksc s TRP 129 N -0.15 0.06 -0.02 10.12 1.48 -0.70 -2.25 118.94 127.48 3ksc s TRP 129 Ca -0.02 -0.26 0.02 0.00 -1.06 0.00 0.00 56.10 54.78 3ksc s TRP 129 Cb -0.02 -0.04 0.00 0.00 -1.16 0.00 0.00 33.47 32.25 3ksc s TRP 129 CO 0.00 -0.40 -0.08 -1.64 -4.06 0.00 0.00 176.95 170.77 3ksc s MET 130 N -2.37 0.81 -0.06 3.25 -1.94 -0.97 -1.45 119.30 116.57 3ksc s MET 130 Ca -0.07 -0.29 0.03 0.00 -1.71 0.00 0.00 55.69 53.66 3ksc s MET 130 Cb -0.02 -0.78 0.01 0.00 2.01 0.00 0.00 34.83 36.05 3ksc s MET 130 CO -0.03 0.13 -0.14 -0.47 -0.01 0.00 0.00 175.02 174.50 3ksc s TYR 131 N 0.07 1.58 -0.49 -0.03 5.04 0.11 0.86 117.35 124.49 3ksc s TYR 131 Ca -0.01 -0.56 -0.15 0.00 -2.44 0.00 0.00 57.07 53.92 3ksc s TYR 131 Cb -0.07 -1.12 0.09 0.00 0.35 0.00 0.00 41.96 41.21 3ksc s TYR 131 CO 0.00 -0.26 0.41 1.21 -1.34 0.00 0.00 175.55 175.57 3ksc s ASN 132 N 0.50 6.08 -0.33 4.32 2.47 -0.58 -0.65 114.94 126.74 3ksc s ASN 132 Ca -0.13 -1.51 0.09 0.00 0.42 0.00 0.00 52.86 51.73 3ksc s ASN 132 Cb -0.15 -2.16 0.71 0.00 -1.45 0.00 0.00 41.25 38.21 3ksc s ASN 132 CO 0.04 -0.70 1.79 -0.90 -3.72 0.00 0.00 177.10 173.61 3ksc n ASP 133 N 5.17 4.63 -4.10 -4.21 3.85 -1.26 -1.18 116.55 119.45 3ksc n ASP 133 Ca -0.12 -3.22 -0.22 0.00 -0.71 0.00 0.00 54.79 50.52 3ksc n ASP 133 Cb 0.42 -0.75 -0.09 0.00 -1.35 0.00 0.00 41.12 39.35 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 -2.93 1.72 0.27 0.11 -0.21 -1.26 -4.91 119.66 112.45 3ksc s GLN 134 Ca 0.53 -2.00 0.20 0.00 0.02 0.00 0.00 55.36 54.12 3ksc s GLN 134 Cb 0.43 -0.40 0.09 0.00 1.00 0.00 0.00 33.01 34.14 3ksc s GLN 134 CO 0.13 -0.42 1.25 -0.44 -2.12 0.00 0.00 175.29 173.69 3ksc h ASP 135 N 2.05 0.00 -3.40 5.90 3.32 -1.96 -3.35 116.42 118.99 3ksc h ASP 135 Ca -0.35 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.15 3ksc h ASP 135 Cb 1.26 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.76 3ksc h ASP 135 CO 0.56 0.19 0.15 -0.89 -1.72 0.00 0.00 179.24 177.54 3ksc s THR 136 N -3.17 4.89 0.43 0.35 2.01 -1.26 -4.61 115.64 114.27 3ksc s THR 136 Ca 0.02 1.60 -0.26 0.00 0.31 0.00 0.00 61.69 63.36 3ksc s THR 136 Cb 0.08 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 68.39 3ksc s THR 136 CO 0.75 0.29 1.44 -2.84 -0.69 0.00 0.00 174.62 173.56 3ksc s PRO 137 N 0.44 3.83 -0.08 4.92 0.02 -1.26 -4.72 135.00 138.15 3ksc s PRO 137 Ca 0.40 2.44 -0.18 0.00 0.02 0.00 0.00 61.00 63.68 3ksc s PRO 137 Cb -0.19 -2.75 -0.05 0.00 0.02 0.00 0.00 34.50 31.53 3ksc s PRO 137 CO 0.21 -0.71 0.48 0.08 -0.33 0.00 0.00 177.00 176.73 3ksc s VAL 138 N -1.18 5.12 -0.23 3.83 1.01 0.14 -4.28 120.40 124.81 3ksc s VAL 138 Ca 0.58 0.98 0.02 0.00 0.00 0.00 0.00 61.98 63.56 3ksc s VAL 138 Cb -0.44 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.16 3ksc s VAL 138 CO 0.58 0.38 -0.14 -0.63 0.00 0.00 0.00 175.10 175.29 3ksc s ILE 139 N 0.22 2.21 -0.16 2.22 1.01 0.20 -0.31 121.20 126.59 3ksc s ILE 139 Ca 0.26 -1.28 0.01 0.00 0.00 0.00 0.00 60.65 59.64 3ksc s ILE 139 Cb -0.16 -2.13 0.01 0.00 0.01 0.00 0.00 42.46 40.19 3ksc s ILE 139 CO 0.12 0.23 -0.19 0.00 0.00 0.00 0.00 174.94 175.10 3ksc s ALA 140 N 1.20 2.35 -0.21 9.38 0.00 0.46 0.04 121.76 134.98 3ksc s ALA 140 Ca -0.02 -1.12 -0.05 0.00 0.00 0.00 0.00 51.96 50.77 3ksc s ALA 140 Cb -0.17 -1.12 -0.02 0.00 0.00 0.00 0.00 23.12 21.80 3ksc s ALA 140 CO -0.08 -0.12 0.01 0.54 0.00 0.00 0.00 175.76 176.11 3ksc s VAL 141 N 0.95 4.02 -0.15 0.00 0.11 0.26 0.08 120.40 125.68 3ksc s VAL 141 Ca -0.03 -0.29 -0.01 0.00 -2.93 0.00 0.00 61.98 58.73 3ksc s VAL 141 Cb -0.15 -2.83 -0.01 0.00 -1.53 0.00 0.00 36.38 31.86 3ksc s VAL 141 CO -0.04 0.41 -0.12 -0.44 -3.33 0.00 0.00 175.10 171.58 3ksc s SER 142 N 1.11 3.99 -0.25 3.54 0.01 0.99 -0.22 113.70 122.88 3ksc s SER 142 Ca 0.03 -0.36 -0.10 0.00 1.31 0.00 0.00 55.95 56.84 3ksc s SER 142 Cb -0.14 -1.62 -0.04 0.00 0.21 0.00 0.00 66.02 64.42 3ksc s SER 142 CO 0.02 0.13 0.14 -0.22 0.41 0.00 0.00 173.24 173.71 3ksc s LEU 143 N 0.56 3.88 -0.33 2.44 2.96 0.75 -1.81 118.68 127.14 3ksc s LEU 143 Ca -0.08 -0.01 -0.11 0.00 -0.22 0.00 0.00 54.13 53.71 3ksc s LEU 143 Cb -0.16 -2.05 -0.00 0.00 0.50 0.00 0.00 46.19 44.48 3ksc s LEU 143 CO 0.03 0.01 0.18 -0.89 -1.32 0.00 0.00 176.35 174.37 3ksc s THR 144 N 1.35 4.75 -1.36 3.68 2.01 -0.46 -1.21 115.64 124.40 3ksc s THR 144 Ca 0.06 -0.45 -0.14 0.00 0.31 0.00 0.00 61.69 61.48 3ksc s THR 144 Cb -0.15 -3.46 0.08 0.00 0.01 0.00 0.00 72.50 68.98 3ksc s THR 144 CO 0.06 -0.00 1.97 -0.67 -0.69 0.00 0.00 174.62 175.29 3ksc n ASP 145 N 5.01 4.49 -0.20 3.53 2.03 -0.23 -1.73 116.55 129.45 3ksc n ASP 145 Ca -0.13 -2.92 0.13 0.00 0.52 0.00 0.00 54.79 52.39 3ksc n ASP 145 Cb 0.49 -1.64 0.45 0.00 -0.72 0.00 0.00 41.12 39.69 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 4.41 0.84 0.00 5.18 2.04 -1.75 -1.19 117.51 127.04 3ksc h ILE 146 Ca 0.48 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 66.16 3ksc h ILE 146 Cb 0.72 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3ksc h ILE 146 CO 1.67 0.10 0.00 -2.11 0.00 0.00 0.00 178.15 177.81 3ksc n ARG 147 N -4.50 0.17 -1.48 2.37 1.85 -0.19 -4.78 116.66 110.09 3ksc n ARG 147 Ca 0.15 0.30 -0.45 0.00 -1.00 0.00 0.00 57.85 56.85 3ksc n ARG 147 Cb 0.47 -1.77 -0.02 0.00 -1.05 0.00 0.00 32.46 30.10 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 -2.07 -0.21 0.05 2.89 2.88 -0.45 -4.86 113.62 111.85 3ksc n SER 148 Ca 0.04 1.09 0.10 0.00 -1.33 0.00 0.00 58.87 58.77 3ksc n SER 148 Cb 0.28 -1.12 0.42 0.00 -0.75 0.00 0.00 64.21 63.04 3ksc n SER 148 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3ksc n SER 149 N 1.55 0.26 0.06 -3.46 3.41 -1.26 -2.36 113.62 111.81 3ksc n SER 149 Ca 0.13 0.55 0.13 0.00 -0.26 0.00 0.00 58.87 59.43 3ksc n SER 149 Cb 0.31 -0.61 0.47 0.00 -0.26 0.00 0.00 64.21 64.12 3ksc n SER 149 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3ksc n ASN 150 N -1.78 0.49 -4.53 4.04 3.02 -1.26 -4.60 115.26 110.63 3ksc n ASN 150 Ca 0.04 0.49 -0.43 0.00 -0.03 0.00 0.00 54.58 54.65 3ksc n ASN 150 Cb 0.24 -0.59 -0.04 0.00 -0.61 0.00 0.00 39.78 38.77 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 -3.87 6.37 0.00 6.41 2.47 -1.00 -4.86 114.94 120.46 3ksc s ASN 151 Ca 0.12 -0.26 0.20 0.00 0.42 0.00 0.00 52.86 53.33 3ksc s ASN 151 Cb 0.15 -2.44 0.41 0.00 -1.45 0.00 0.00 41.25 37.92 3ksc s ASN 151 CO 0.58 -1.19 1.34 0.00 -3.72 0.00 0.00 177.10 174.12 3ksc n GLN 152 N 7.39 2.40 0.00 0.43 6.02 -1.26 -4.81 117.38 127.54 3ksc n GLN 152 Ca 0.03 -2.20 0.00 0.00 -0.01 0.00 0.00 57.00 54.82 3ksc n GLN 152 Cb 0.48 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.29 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 1.26 0.00 0.00 1.08 4.77 -1.26 -5.13 117.00 117.72 3ksc n LEU 153 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3ksc n LEU 153 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3ksc n LEU 153 CO 0.14 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.30 3ksc n ASP 154 N 0.00 0.86 -0.77 -1.43 5.68 -1.26 -5.05 116.55 114.58 3ksc n ASP 154 Ca 0.00 -0.34 0.08 0.00 -0.50 0.00 0.00 54.79 54.03 3ksc n ASP 154 Cb 0.00 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.22 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 0.00 1.97 -2.88 0.11 3.00 -1.26 -4.77 117.38 113.55 3ksc n GLN 155 Ca 0.00 -1.50 -0.42 0.00 -0.01 0.00 0.00 57.00 55.07 3ksc n GLN 155 Cb 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 30.24 28.84 3ksc n GLN 155 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 3ksc s MET 156 N -1.51 4.26 0.22 -1.09 -1.94 -1.26 -5.01 119.30 112.97 3ksc s MET 156 Ca 0.30 1.01 -0.30 0.00 -1.71 0.00 0.00 55.69 55.00 3ksc s MET 156 Cb 0.16 -3.60 -0.09 0.00 2.01 0.00 0.00 34.83 33.31 3ksc s MET 156 CO 0.22 -0.40 1.38 -1.25 -0.01 0.00 0.00 175.02 174.96 3ksc s PRO 157 N 2.40 4.33 0.05 2.03 0.04 -1.26 -5.03 135.00 137.56 3ksc s PRO 157 Ca 0.38 2.18 0.05 0.00 0.04 0.00 0.00 61.00 63.64 3ksc s PRO 157 Cb -0.16 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.20 3ksc s PRO 157 CO 0.11 -0.34 -0.14 1.03 0.04 0.00 0.00 177.00 177.69 3ksc s ARG 158 N -0.19 0.90 -0.07 4.56 0.52 -1.26 -4.78 118.95 118.63 3ksc s ARG 158 Ca 0.58 -0.79 0.03 0.00 -0.52 0.00 0.00 55.73 55.03 3ksc s ARG 158 Cb -0.39 -0.90 0.01 0.00 0.52 0.00 0.00 34.95 34.18 3ksc s ARG 158 CO 0.40 0.22 -0.15 1.03 0.02 0.00 0.00 175.30 176.82 3ksc s ARG 159 N -1.26 1.89 -0.32 3.54 0.52 -1.26 -3.97 118.95 118.08 3ksc s ARG 159 Ca 0.01 -0.51 -0.10 0.00 -0.52 0.00 0.00 55.73 54.61 3ksc s ARG 159 Cb -0.08 -1.54 -0.00 0.00 0.52 0.00 0.00 34.95 33.84 3ksc s ARG 159 CO 0.01 0.09 0.16 -0.06 0.02 0.00 0.00 175.30 175.52 3ksc s PHE 160 N 0.50 3.19 -0.14 -0.53 0.40 0.97 -4.80 117.98 117.56 3ksc s PHE 160 Ca -0.13 -0.60 -0.14 0.00 -0.60 0.00 0.00 56.93 55.45 3ksc s PHE 160 Cb -0.15 -2.37 -0.05 0.00 0.51 0.00 0.00 43.02 40.96 3ksc s PHE 160 CO 0.04 -0.47 0.33 0.71 0.70 0.00 0.00 175.22 176.53 3ksc s TYR 161 N 1.61 3.49 0.33 0.36 2.02 -1.26 -1.06 117.35 122.85 3ksc s TYR 161 Ca 0.04 0.67 0.16 0.00 -0.37 0.00 0.00 57.07 57.57 3ksc s TYR 161 Cb -0.17 -2.36 0.80 0.00 -0.40 0.00 0.00 41.96 39.82 3ksc s TYR 161 CO 0.06 0.26 1.83 -0.07 -1.57 0.00 0.00 175.55 176.07 3ksc h LEU 162 N 6.52 0.00 -8.67 -1.29 3.38 -1.86 -2.44 115.31 110.94 3ksc h LEU 162 Ca -0.42 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.23 3ksc h LEU 162 Cb 1.17 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.79 3ksc h LEU 162 CO 0.74 0.35 -0.47 0.00 0.09 0.00 0.00 178.44 179.15 3ksc s ALA 163 N -4.05 1.26 0.00 1.53 0.00 -1.26 -4.39 121.76 114.85 3ksc s ALA 163 Ca -0.02 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.19 3ksc s ALA 163 Cb 0.13 1.37 0.00 0.00 0.00 0.00 0.00 23.12 24.62 3ksc s ALA 163 CO 0.70 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 176.20 3ksc n GLY 164 N -0.45 -2.00 2.20 0.00 0.00 -1.26 -4.64 105.19 99.04 3ksc n GLY 164 Ca 0.04 -1.72 0.01 0.00 0.00 0.00 0.00 46.02 44.34 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 0.47 1.02 -4.82 1.61 2.85 -1.26 -4.07 115.26 111.06 3ksc n ASN 165 Ca 0.00 -2.02 -0.23 0.00 -0.11 0.00 0.00 54.58 52.22 3ksc n ASN 165 Cb 0.00 -0.29 -0.05 0.00 1.24 0.00 0.00 39.78 40.68 3ksc n ASN 165 CO 0.00 0.00 0.00 -1.38 -2.11 0.00 0.00 177.26 173.77 3ksc s HIS 166 N -1.84 3.11 0.35 1.20 -3.43 -1.26 -3.68 115.29 109.74 3ksc s HIS 166 Ca 0.27 -0.10 -0.26 0.00 -0.80 0.00 0.00 55.06 54.18 3ksc s HIS 166 Cb 0.34 -1.42 -0.09 0.00 -1.43 0.00 0.00 32.58 29.98 3ksc s HIS 166 CO -0.10 0.52 1.00 -1.21 -2.00 0.00 0.00 174.74 172.96 3ksc s GLU 167 N -3.71 4.43 0.30 -0.38 2.02 -1.26 -4.73 118.70 115.37 3ksc s GLU 167 Ca 0.32 1.45 -0.29 0.00 0.02 0.00 0.00 54.97 56.47 3ksc s GLU 167 Cb -0.08 -2.74 -0.10 0.00 0.10 0.00 0.00 34.13 31.31 3ksc s GLU 167 CO 0.25 0.11 1.21 -1.14 0.02 0.00 0.00 175.26 175.71 3ksc s GLN 168 N -2.16 4.49 0.57 1.61 -0.44 -1.26 -4.92 119.66 117.54 3ksc s GLN 168 Ca 0.52 2.02 0.34 0.00 -2.50 0.00 0.00 55.36 55.75 3ksc s GLN 168 Cb -0.21 -3.13 1.45 0.00 -1.64 0.00 0.00 33.01 29.47 3ksc s GLN 168 CO 0.27 -0.01 1.72 0.93 0.50 0.00 0.00 175.29 178.70 3ksc h GLU 169 N 3.70 0.00 -0.16 1.67 3.07 -1.95 -1.49 114.58 119.42 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 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 3ksc h GLU 169 CO 0.67 0.00 0.00 1.19 -1.40 0.00 0.00 179.01 179.47 3ksc n PHE 170 N -3.88 0.18 0.21 4.33 3.72 -1.26 -4.36 117.46 116.40 3ksc n PHE 170 Ca 0.23 -0.09 -0.15 0.00 -0.05 0.00 0.00 57.45 57.39 3ksc n PHE 170 Cb 1.22 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.68 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 4.07 -0.40 -1.15 4.37 7.12 -1.58 -2.82 115.31 124.91 3ksc h LEU 171 Ca 0.00 -0.02 0.16 0.00 0.13 0.00 0.00 57.88 58.16 3ksc h LEU 171 Cb 0.88 0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 41.09 3ksc h LEU 171 CO 0.00 -0.25 0.90 0.06 -0.13 0.00 0.00 178.44 179.02 3ksc h GLN 172 N -0.52 0.00 -0.17 1.25 3.07 -1.79 0.26 115.11 117.21 3ksc h GLN 172 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.69 3ksc h GLN 172 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.95 3ksc h GLN 172 CO 0.08 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.66 3ksc n TYR 173 N -3.15 0.20 -2.20 0.06 4.01 -1.07 -4.92 117.16 110.09 3ksc n TYR 173 Ca 0.12 -0.10 -0.27 0.00 -0.16 0.00 0.00 57.90 57.49 3ksc n TYR 173 Cb 1.09 0.00 0.14 0.00 -0.31 0.00 0.00 39.34 40.26 3ksc n TYR 173 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3ksc s GLN 174 N -1.80 1.26 -0.38 -0.72 -0.21 0.90 -4.98 119.66 113.73 3ksc s GLN 174 Ca 0.34 -0.63 0.12 0.00 0.02 0.00 0.00 55.36 55.22 3ksc s GLN 174 Cb 0.20 -2.07 0.44 0.00 1.00 0.00 0.00 33.01 32.58 3ksc s GLN 174 CO 0.30 -1.88 1.00 0.72 -2.12 0.00 0.00 175.29 173.31 3ksc n HIS 175 N -3.30 2.08 0.00 0.91 8.25 -1.26 -5.11 115.22 116.79 3ksc n HIS 175 Ca 0.14 -3.00 0.00 0.00 -0.26 0.00 0.00 57.72 54.60 3ksc n HIS 175 Cb 0.60 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.44 3ksc n HIS 175 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ksc n GLY 187 N -0.21 0.00 0.00 -1.41 0.00 -1.26 -5.22 105.19 97.09 3ksc n GLY 187 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 0.79 -4.90 1.61 4.13 -1.26 -4.95 115.26 110.68 3ksc n ASN 188 Ca 0.00 -0.10 -0.29 0.00 1.68 0.00 0.00 54.58 55.87 3ksc n ASN 188 Cb 0.00 0.35 0.08 0.00 -1.54 0.00 0.00 39.78 38.67 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 -0.51 4.70 0.44 6.41 6.03 -1.26 -4.80 114.94 125.95 3ksc s ASN 189 Ca 0.00 0.85 0.22 0.00 -1.03 0.00 0.00 52.86 52.90 3ksc s ASN 189 Cb 0.00 -1.41 1.03 0.00 -3.03 0.00 0.00 41.25 37.85 3ksc s ASN 189 CO 0.00 -1.79 1.90 0.16 -2.03 0.00 0.00 177.10 175.34 3ksc h ILE 190 N -0.98 0.78 -0.02 0.54 -0.00 -1.64 -2.41 117.51 113.78 3ksc h ILE 190 Ca -0.46 -1.01 -0.12 0.00 -0.00 0.00 0.00 64.86 63.27 3ksc h ILE 190 Cb 1.31 1.62 -0.02 0.00 -0.00 0.00 0.00 36.82 39.74 3ksc h ILE 190 CO 0.66 0.24 -0.56 -0.26 -0.00 0.00 0.00 178.15 178.23 3ksc h PHE 191 N 0.00 0.09 0.00 0.16 0.04 -1.85 -3.06 116.94 112.32 3ksc h PHE 191 Ca -0.00 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3ksc h PHE 191 Cb 0.60 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.73 3ksc h PHE 191 CO 0.00 0.61 0.00 0.66 -0.60 0.00 0.00 178.31 178.98 3ksc h SER 192 N 0.06 0.00 1.57 2.17 4.64 -1.69 -2.27 113.55 118.03 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 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3ksc h SER 192 CO 0.08 0.00 0.00 1.23 -0.87 0.00 0.00 176.83 177.27 3ksc h GLY 193 N 1.37 0.00 -3.79 -0.77 0.00 -1.63 -3.46 103.07 94.79 3ksc h GLY 193 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 3ksc h GLY 193 CO 0.00 0.00 -0.27 -1.36 0.00 0.00 0.00 176.54 174.91 3ksc s PHE 194 N -3.30 3.48 0.46 5.60 0.08 -0.86 -5.07 117.98 118.37 3ksc s PHE 194 Ca 0.06 0.51 -0.24 0.00 0.12 0.00 0.00 56.93 57.38 3ksc s PHE 194 Cb 0.08 -1.98 -0.09 0.00 -0.57 0.00 0.00 43.02 40.46 3ksc s PHE 194 CO 0.60 0.35 1.15 1.63 -0.10 0.00 0.00 175.22 178.85 3ksc n LYS 195 N -0.45 1.57 -0.09 0.44 5.02 -1.26 -4.92 118.16 118.48 3ksc n LYS 195 Ca -0.03 0.57 -0.02 0.00 -2.02 0.00 0.00 58.31 56.80 3ksc n LYS 195 Cb 0.53 -2.26 0.21 0.00 -0.02 0.00 0.00 35.03 33.49 3ksc n LYS 195 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ksc h ARG 196 N 1.63 0.74 -0.69 1.97 3.08 -1.97 -2.82 114.38 116.32 3ksc h ARG 196 Ca -0.47 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.35 3ksc h ARG 196 Cb 1.32 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.24 3ksc h ARG 196 CO 0.57 0.71 0.16 -0.44 -1.07 0.00 0.00 179.97 179.90 3ksc h ASP 197 N 0.71 1.06 -0.04 7.04 3.32 -1.98 0.21 116.42 126.74 3ksc h ASP 197 Ca 0.15 -0.24 0.04 0.00 0.02 0.00 0.00 57.03 57.00 3ksc h ASP 197 Cb 0.34 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 3ksc h ASP 197 CO 0.01 1.03 -0.24 -0.26 -1.72 0.00 0.00 179.24 178.05 3ksc h PHE 198 N 1.05 -0.65 -0.46 4.55 -1.00 -1.90 -0.71 116.94 117.82 3ksc h PHE 198 Ca 0.22 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.99 3ksc h PHE 198 Cb 0.39 0.29 -0.02 0.00 3.61 0.00 0.00 35.95 40.22 3ksc h PHE 198 CO 0.03 -0.33 0.15 -0.07 -1.61 0.00 0.00 178.31 176.48 3ksc h LEU 199 N -0.35 0.62 -0.37 1.54 4.07 -1.24 0.61 115.31 120.18 3ksc h LEU 199 Ca 0.07 -0.08 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 3ksc h LEU 199 Cb 0.46 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.02 3ksc h LEU 199 CO -0.24 0.59 0.15 -0.33 -1.08 0.00 0.00 178.44 177.52 3ksc h GLU 200 N 0.66 0.54 -0.18 1.13 5.08 -0.04 -1.24 114.58 120.53 3ksc h GLU 200 Ca 0.16 -0.10 -0.20 0.00 -1.00 0.00 0.00 59.36 58.22 3ksc h GLU 200 Cb 0.19 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3ksc h GLU 200 CO -0.01 0.52 -0.69 -0.44 -1.00 0.00 0.00 179.01 177.40 3ksc h ASP 201 N 0.44 0.85 -0.33 1.42 3.32 -0.82 0.39 116.42 121.69 3ksc h ASP 201 Ca 0.12 -0.52 -0.16 0.00 0.02 0.00 0.00 57.03 56.50 3ksc h ASP 201 Cb 0.18 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3ksc h ASP 201 CO -0.01 1.30 -0.39 0.00 -1.72 0.00 0.00 179.24 178.41 3ksc h ALA 202 N 0.70 0.61 0.00 3.45 0.00 -0.83 -3.14 119.26 120.04 3ksc h ALA 202 Ca -0.03 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 3ksc h ALA 202 Cb 1.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3ksc h ALA 202 CO 0.14 0.68 -1.32 1.19 0.00 0.00 0.00 179.25 179.93 3ksc n PHE 203 N -4.05 0.76 -3.50 0.00 3.72 -0.47 -4.99 117.46 108.93 3ksc n PHE 203 Ca -0.02 0.23 -0.20 0.00 -0.05 0.00 0.00 57.45 57.41 3ksc n PHE 203 Cb 0.55 -0.90 0.06 0.00 -0.94 0.00 0.00 39.48 38.25 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 -2.64 -3.30 -4.16 4.37 5.15 0.14 -5.01 115.26 109.81 3ksc n ASN 204 Ca -0.04 -0.75 -0.10 0.00 -0.60 0.00 0.00 54.58 53.08 3ksc n ASN 204 Cb 0.63 -4.60 -0.10 0.00 -0.53 0.00 0.00 39.78 35.18 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 -3.48 0.07 0.60 3.44 -7.23 -1.14 -5.06 120.40 107.60 3ksc s VAL 205 Ca 0.17 -1.91 -0.13 0.00 -1.81 0.00 0.00 61.98 58.30 3ksc s VAL 205 Cb -0.03 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 3ksc s VAL 205 CO 0.77 -0.30 1.03 0.54 -0.31 0.00 0.00 175.10 176.83 3ksc s ASN 206 N -3.08 6.17 0.53 4.85 2.20 -1.26 -4.67 114.94 119.68 3ksc s ASN 206 Ca 0.29 1.51 0.38 0.00 -0.94 0.00 0.00 52.86 54.10 3ksc s ASN 206 Cb 0.07 -2.49 1.56 0.00 -2.00 0.00 0.00 41.25 38.40 3ksc s ASN 206 CO 0.05 -0.90 1.75 -0.09 -2.94 0.00 0.00 177.10 174.96 3ksc h ARG 207 N -0.03 0.03 0.05 3.55 9.65 -1.98 -0.81 114.38 124.84 3ksc h ARG 207 Ca -0.45 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.43 3ksc h ARG 207 Cb 1.19 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 3ksc h ARG 207 CO 0.61 0.02 -0.02 1.25 2.80 0.00 0.00 179.97 184.62 3ksc h HIS 208 N 0.03 -0.06 -0.60 2.20 2.76 -1.99 -1.38 115.15 116.10 3ksc h HIS 208 Ca 0.66 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.89 3ksc h HIS 208 Cb 2.57 0.02 -0.05 0.00 1.55 0.00 0.00 27.41 31.50 3ksc h HIS 208 CO -0.00 0.40 0.31 0.82 -1.30 0.00 0.00 177.93 178.15 3ksc h ILE 209 N -0.56 0.93 -0.93 6.26 2.04 -1.54 -1.11 117.51 122.60 3ksc h ILE 209 Ca -0.01 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 65.70 3ksc h ILE 209 Cb 0.49 0.31 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 3ksc h ILE 209 CO 0.01 0.10 0.61 0.58 0.00 0.00 0.00 178.15 179.45 3ksc h VAL 210 N 0.57 1.15 -0.31 1.67 2.07 -1.33 0.13 116.25 120.19 3ksc h VAL 210 Ca 0.27 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3ksc h VAL 210 Cb 0.20 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 3ksc h VAL 210 CO -0.19 0.21 0.21 0.44 0.02 0.00 0.00 177.57 178.26 3ksc h ASP 211 N 1.17 0.36 -0.21 0.57 3.32 -0.41 -1.06 116.42 120.15 3ksc h ASP 211 Ca 0.38 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.46 3ksc h ASP 211 Cb 0.02 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.43 3ksc h ASP 211 CO -0.13 0.26 -0.09 0.03 -1.72 0.00 0.00 179.24 177.59 3ksc h ARG 212 N 0.42 -0.06 -0.66 3.56 2.47 -0.47 -2.60 114.38 117.03 3ksc h ARG 212 Ca 0.11 0.00 0.14 0.00 -1.26 0.00 0.00 59.98 58.98 3ksc h ARG 212 Cb -0.05 0.01 -0.10 0.00 -1.65 0.00 0.00 29.97 28.18 3ksc h ARG 212 CO -0.02 -0.04 0.08 1.25 0.56 0.00 0.00 179.97 181.80 3ksc h LEU 213 N -0.07 -0.13 -0.68 3.04 5.85 -0.22 -1.04 115.31 122.07 3ksc h LEU 213 Ca 0.11 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3ksc h LEU 213 Cb 0.24 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3ksc h LEU 213 CO -0.26 -0.07 0.00 0.00 -0.34 0.00 0.00 178.44 177.77 3ksc n GLN 214 N -5.21 1.43 -2.59 1.25 6.02 -0.45 -4.69 117.38 113.14 3ksc n GLN 214 Ca 0.11 -0.67 -0.19 0.00 -0.01 0.00 0.00 57.00 56.24 3ksc n GLN 214 Cb 0.39 -1.22 0.01 0.00 1.02 0.00 0.00 30.24 30.44 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 0.87 -0.41 0.10 1.08 0.00 -0.39 -4.63 105.19 101.80 3ksc n GLY 215 Ca 0.09 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.49 -0.16 -0.99 1.61 3.08 -1.70 -2.93 114.38 112.80 3ksc h ARG 216 Ca -0.46 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.54 3ksc h ARG 216 Cb 1.33 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.39 3ksc h ARG 216 CO 0.53 0.02 0.07 0.09 -1.07 0.00 0.00 179.97 179.60 3ksc n ASN 217 N -5.09 2.86 -4.08 7.04 3.02 -1.26 -4.84 115.26 112.89 3ksc n ASN 217 Ca -0.08 -2.19 -0.17 0.00 -0.03 0.00 0.00 54.58 52.11 3ksc n ASN 217 Cb 0.14 -0.54 -0.13 0.00 -0.61 0.00 0.00 39.78 38.65 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 -0.54 0.70 0.30 3.52 2.12 -1.11 -5.16 118.70 118.54 3ksc s GLU 218 Ca 0.07 -0.65 0.10 0.00 0.36 0.00 0.00 54.97 54.85 3ksc s GLU 218 Cb 0.06 -0.63 -0.05 0.00 0.26 0.00 0.00 34.13 33.77 3ksc s GLU 218 CO 0.01 0.15 -0.06 0.16 -0.54 0.00 0.00 175.26 174.98 3ksc s ASP 219 N -1.09 4.07 0.59 -1.70 -4.77 -1.26 -4.70 116.67 107.80 3ksc s ASP 219 Ca -0.02 -0.93 0.30 0.00 -3.30 0.00 0.00 52.55 48.61 3ksc s ASP 219 Cb -0.07 -0.53 1.32 0.00 -1.09 0.00 0.00 42.92 42.55 3ksc s ASP 219 CO 0.01 -0.09 1.67 -0.08 0.70 0.00 0.00 175.17 177.38 3ksc h GLU 220 N 1.98 0.00 0.00 2.11 4.57 -1.99 -1.53 114.58 119.72 3ksc h GLU 220 Ca -0.42 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 57.61 3ksc h GLU 220 Cb 1.25 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 3ksc h GLU 220 CO 0.63 0.00 -0.68 0.93 -1.18 0.00 0.00 179.01 178.72 3ksc h GLU 221 N 0.00 0.00 -0.12 1.92 3.07 -1.91 -3.23 114.58 114.31 3ksc h GLU 221 Ca 0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 3ksc h GLU 221 Cb 2.05 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.95 3ksc h GLU 221 CO -0.00 0.68 0.07 -0.22 -1.40 0.00 0.00 179.01 178.14 3ksc h LYS 222 N 0.00 0.14 0.00 2.33 3.64 -1.63 -3.03 116.57 118.02 3ksc h LYS 222 Ca -0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3ksc h LYS 222 Cb 1.49 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.28 3ksc h LYS 222 CO 0.09 0.10 0.00 0.41 -2.27 0.00 0.00 179.45 177.77 3ksc n GLY 223 N -1.13 -1.79 0.17 5.01 0.00 -1.22 -1.47 105.19 104.77 3ksc n GLY 223 Ca -0.05 -1.32 -0.03 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.24 0.99 -3.75 4.61 0.00 -1.91 -3.43 119.26 115.54 3ksc h ALA 224 Ca 0.00 -0.49 -0.68 0.00 0.00 0.00 0.00 54.91 53.74 3ksc h ALA 224 Cb 0.00 -0.09 -0.25 0.00 0.00 0.00 0.00 17.79 17.45 3ksc h ALA 224 CO 0.00 0.68 -0.78 0.42 0.00 0.00 0.00 179.25 179.57 3ksc s ILE 225 N -3.87 2.97 -0.01 0.00 1.01 -1.26 -2.52 121.20 117.53 3ksc s ILE 225 Ca -0.03 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.90 3ksc s ILE 225 Cb 0.13 -2.19 -0.00 0.00 0.01 0.00 0.00 42.46 40.40 3ksc s ILE 225 CO 0.78 0.56 -0.06 0.54 0.00 0.00 0.00 174.94 176.76 3ksc s VAL 226 N -0.25 0.46 0.25 2.92 0.11 -0.47 -1.29 120.40 122.13 3ksc s VAL 226 Ca 0.01 -0.23 -0.30 0.00 -2.93 0.00 0.00 61.98 58.54 3ksc s VAL 226 Cb -0.13 -0.40 -0.09 0.00 -1.53 0.00 0.00 36.38 34.23 3ksc s VAL 226 CO 0.03 0.14 1.19 -0.54 -3.33 0.00 0.00 175.10 172.59 3ksc s LYS 227 N -0.00 4.51 -0.16 1.54 -0.14 -1.26 -0.30 119.74 123.92 3ksc s LYS 227 Ca 0.01 1.93 -0.02 0.00 -1.36 0.00 0.00 55.97 56.53 3ksc s LYS 227 Cb -0.04 -3.18 -0.01 0.00 -1.68 0.00 0.00 37.83 32.91 3ksc s LYS 227 CO -0.00 -0.01 -0.09 0.08 -0.76 0.00 0.00 175.35 174.56 3ksc s VAL 228 N -0.65 3.27 -0.02 3.17 1.01 0.14 -4.90 120.40 122.42 3ksc s VAL 228 Ca 0.49 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 3ksc s VAL 228 Cb -0.34 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 3ksc s VAL 228 CO 0.42 0.49 0.25 0.11 0.00 0.00 0.00 175.10 176.37 3ksc h LYS 229 N 7.14 -0.08 -0.13 2.72 1.57 -1.96 -3.36 116.57 122.47 3ksc h LYS 229 Ca -0.32 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3ksc h LYS 229 Cb 1.19 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3ksc h LYS 229 CO 0.59 -0.05 0.00 0.41 -0.57 0.00 0.00 179.45 179.82 3ksc n GLY 230 N 1.25 -0.26 5.07 3.86 0.00 -1.26 -5.01 105.19 108.84 3ksc n GLY 230 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.87 -2.12 2.85 -0.02 0.00 -1.26 -4.90 105.19 100.62 3ksc n GLY 231 Ca 0.11 -1.54 -0.25 0.00 0.00 0.00 0.00 46.02 44.33 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 0.95 -0.71 0.99 1.43 -1.26 -5.04 118.68 115.04 3ksc s LEU 232 Ca 0.00 -0.21 -0.27 0.00 -1.03 0.00 0.00 54.13 52.63 3ksc s LEU 232 Cb 0.00 -0.66 0.02 0.00 0.03 0.00 0.00 46.19 45.58 3ksc s LEU 232 CO 0.00 -0.15 1.42 -0.44 0.23 0.00 0.00 176.35 177.41 3ksc s SER 233 N 1.77 5.95 -0.00 2.29 0.01 -1.26 -4.74 113.70 117.73 3ksc s SER 233 Ca 0.04 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.05 3ksc s SER 233 Cb -0.13 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.55 3ksc s SER 233 CO -0.06 -1.96 0.00 -0.38 0.41 0.00 0.00 173.24 171.25 3ksc n ILE 234 N 6.58 0.00 -0.93 1.44 5.41 -1.26 -5.10 119.36 125.51 3ksc n ILE 234 Ca 0.07 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.82 3ksc n ILE 234 Cb 0.50 0.40 0.00 0.00 -0.71 0.00 0.00 39.64 39.83 3ksc n ILE 234 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3ksc n ILE 235 N -1.54 0.00 -0.39 1.39 -5.35 -1.26 -4.96 119.36 107.25 3ksc n ILE 235 Ca -0.00 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.19 3ksc n ILE 235 Cb 0.03 -0.56 0.26 0.00 -1.74 0.00 0.00 39.64 37.64 3ksc n ILE 235 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3ksc n SER 236 N 0.00 -2.88 -4.87 7.28 3.41 -1.26 -4.88 113.62 110.42 3ksc n SER 236 Ca 0.00 -0.47 -0.30 0.00 -0.26 0.00 0.00 58.87 57.84 3ksc n SER 236 Cb 0.00 -1.10 -0.03 0.00 -0.26 0.00 0.00 64.21 62.82 3ksc n SER 236 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 3ksc s PRO 237 N -4.50 3.77 0.91 4.33 0.02 -1.26 -5.22 135.00 133.05 3ksc s PRO 237 Ca 0.65 0.50 -0.12 0.00 0.02 0.00 0.00 61.00 62.05 3ksc s PRO 237 Cb -0.18 -2.36 0.19 0.00 0.02 0.00 0.00 34.50 32.17 3ksc s PRO 237 CO 0.61 -0.09 0.44 -2.30 -0.33 0.00 0.00 177.00 175.33 3ksc n PRO 238 N -1.44 -1.86 -0.22 5.54 -0.02 -1.26 -5.22 135.00 130.53 3ksc n PRO 238 Ca 0.03 -0.74 0.00 0.00 -2.02 0.00 0.00 63.50 60.77 3ksc n PRO 238 Cb 0.54 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 3ksc n PRO 238 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3ksc n THR 316 N -4.37 0.00 -3.80 3.45 5.66 -1.26 -5.01 114.28 108.95 3ksc n THR 316 Ca 0.07 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.77 3ksc n THR 316 Cb 0.30 -0.04 -0.15 0.00 -1.55 0.00 0.00 70.33 68.89 3ksc n THR 316 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3ksc s VAL 317 N -0.07 1.11 -1.56 1.08 1.01 -1.26 -4.92 120.40 115.79 3ksc s VAL 317 Ca 0.00 -1.41 0.23 0.00 0.00 0.00 0.00 61.98 60.81 3ksc s VAL 317 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.63 3ksc s VAL 317 CO 0.00 -0.54 1.20 0.00 0.00 0.00 0.00 175.10 175.76 3ksc n THR 319 N -0.76 0.65 -1.24 0.00 5.66 -1.26 -4.95 114.28 112.38 3ksc n THR 319 Ca 0.08 -0.56 -0.32 0.00 -3.05 0.00 0.00 64.05 60.20 3ksc n THR 319 Cb 0.39 0.19 0.10 0.00 -1.55 0.00 0.00 70.33 69.45 3ksc n THR 319 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ksc s ALA 320 N -1.52 2.12 0.03 1.79 0.00 -1.23 -4.98 121.76 117.97 3ksc s ALA 320 Ca 0.27 0.42 -0.30 0.00 0.00 0.00 0.00 51.96 52.35 3ksc s ALA 320 Cb 0.15 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 3ksc s ALA 320 CO 0.17 -1.90 1.27 0.21 0.00 0.00 0.00 175.76 175.51 3ksc s LYS 321 N -4.65 4.37 0.00 0.00 2.20 -1.26 -4.93 119.74 115.46 3ksc s LYS 321 Ca 0.64 1.83 0.19 0.00 -0.36 0.00 0.00 55.97 58.27 3ksc s LYS 321 Cb -0.20 -3.44 0.24 0.00 -1.51 0.00 0.00 37.83 32.92 3ksc s LYS 321 CO 0.53 -0.40 1.19 1.28 -0.36 0.00 0.00 175.35 177.59 3ksc n LEU 322 N 4.56 2.84 -3.62 5.43 4.32 -1.26 -4.55 117.00 124.72 3ksc n LEU 322 Ca 0.11 -1.21 -0.15 0.00 -0.02 0.00 0.00 56.01 54.73 3ksc n LEU 322 Cb 0.45 -0.09 -0.07 0.00 -1.62 0.00 0.00 43.42 42.09 3ksc n LEU 322 CO 0.56 0.55 0.33 -0.60 -1.22 0.00 0.00 177.39 177.01 3ksc s ARG 323 N -1.49 0.86 -0.08 3.23 3.00 -1.26 -1.47 118.95 121.73 3ksc s ARG 323 Ca 0.27 0.47 -0.08 0.00 -1.00 0.00 0.00 55.73 55.38 3ksc s ARG 323 Cb 0.17 0.41 0.02 0.00 0.00 0.00 0.00 34.95 35.55 3ksc s ARG 323 CO 0.25 -0.20 0.23 -1.17 0.00 0.00 0.00 175.30 174.41 3ksc s LEU 324 N -0.52 1.12 -0.15 -0.88 0.20 -0.80 -4.98 118.68 112.67 3ksc s LEU 324 Ca -0.06 0.45 -0.17 0.00 0.69 0.00 0.00 54.13 55.04 3ksc s LEU 324 Cb -0.03 0.80 -0.04 0.00 -0.43 0.00 0.00 46.19 46.49 3ksc s LEU 324 CO 0.05 -0.09 0.43 0.21 -0.29 0.00 0.00 176.35 176.66 3ksc s ASN 325 N 0.08 6.58 -0.22 3.68 3.84 -1.26 -0.62 114.94 127.01 3ksc s ASN 325 Ca -0.00 0.69 0.12 0.00 0.21 0.00 0.00 52.86 53.87 3ksc s ASN 325 Cb -0.02 -2.26 0.43 0.00 -0.55 0.00 0.00 41.25 38.86 3ksc s ASN 325 CO 0.00 -0.02 1.29 2.30 -2.79 0.00 0.00 177.10 177.89 3ksc n ILE 326 N 3.88 2.27 -1.69 -5.21 -5.35 -0.12 -4.68 119.36 108.46 3ksc n ILE 326 Ca -0.08 -2.89 -0.03 0.00 -0.27 0.00 0.00 62.75 59.48 3ksc n ILE 326 Cb 0.51 -0.26 0.02 0.00 -1.74 0.00 0.00 39.64 38.17 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 -1.13 -0.22 0.34 3.28 0.00 -1.23 -4.85 105.19 101.37 3ksc n GLY 327 Ca 0.23 -1.82 0.19 0.00 0.00 0.00 0.00 46.02 44.62 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 0.00 -0.01 1.61 0.11 -1.95 -2.05 132.00 129.70 3ksc h PRO 328 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3ksc h PRO 328 Cb 0.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.25 3ksc h PRO 328 CO 0.04 0.00 -0.09 -1.13 -0.21 0.00 0.00 178.00 176.61 3ksc n SER 329 N -3.10 1.30 -4.93 -2.05 3.41 -1.26 -4.88 113.62 102.12 3ksc n SER 329 Ca -0.02 -1.27 -0.26 0.00 -0.26 0.00 0.00 58.87 57.07 3ksc n SER 329 Cb 0.26 0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.26 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 -2.18 5.91 -0.11 4.04 1.04 -0.77 -5.04 113.70 116.59 3ksc s SER 330 Ca 0.33 0.64 -0.30 0.00 0.48 0.00 0.00 55.95 57.11 3ksc s SER 330 Cb 0.20 -1.85 -0.02 0.00 0.10 0.00 0.00 66.02 64.46 3ksc s SER 330 CO 0.40 -0.76 1.15 -0.44 0.98 0.00 0.00 173.24 174.57 3ksc s SER 331 N -4.20 7.08 0.58 7.02 0.01 -1.26 -5.00 113.70 117.93 3ksc s SER 331 Ca 0.49 1.68 -0.17 0.00 1.31 0.00 0.00 55.95 59.26 3ksc s SER 331 Cb -0.10 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 3ksc s SER 331 CO 0.42 -0.59 1.09 -2.84 0.41 0.00 0.00 173.24 171.73 3ksc s PRO 332 N 2.50 3.29 0.13 12.44 0.02 -1.26 -4.92 135.00 147.21 3ksc s PRO 332 Ca 0.53 1.39 -0.06 0.00 0.02 0.00 0.00 61.00 62.88 3ksc s PRO 332 Cb -0.22 -2.02 -0.08 0.00 0.02 0.00 0.00 34.50 32.20 3ksc s PRO 332 CO 0.18 -0.86 1.32 -0.44 -0.33 0.00 0.00 177.00 176.87 3ksc h ASP 333 N 0.76 0.60 -3.41 2.53 3.32 -0.73 -3.45 116.42 116.04 3ksc h ASP 333 Ca -0.48 -0.45 -0.22 0.00 0.02 0.00 0.00 57.03 55.89 3ksc h ASP 333 Cb 1.24 -0.18 -0.31 0.00 0.22 0.00 0.00 39.33 40.30 3ksc h ASP 333 CO 0.57 1.24 -0.55 -0.63 -1.72 0.00 0.00 179.24 178.15 3ksc s ILE 334 N -3.39 -0.04 -0.08 0.35 1.01 -0.99 -5.00 121.20 113.06 3ksc s ILE 334 Ca -0.07 0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.74 3ksc s ILE 334 Cb 0.09 -0.30 0.03 0.00 0.01 0.00 0.00 42.46 42.29 3ksc s ILE 334 CO 0.87 0.07 -0.04 -0.47 0.00 0.00 0.00 174.94 175.37 3ksc s TYR 335 N 1.17 1.00 -0.26 3.97 5.04 -1.26 -1.19 117.35 125.82 3ksc s TYR 335 Ca -0.09 -0.39 0.02 0.00 -2.44 0.00 0.00 57.07 54.17 3ksc s TYR 335 Cb -0.11 -0.95 0.06 0.00 0.35 0.00 0.00 41.96 41.32 3ksc s TYR 335 CO -0.07 -0.37 -0.06 1.21 -1.34 0.00 0.00 175.55 174.92 3ksc s ASN 336 N 1.68 4.19 0.65 4.32 3.84 0.26 -4.99 114.94 124.89 3ksc s ASN 336 Ca 0.02 -1.37 0.29 0.00 0.21 0.00 0.00 52.86 52.00 3ksc s ASN 336 Cb -0.13 -1.37 1.54 0.00 -0.55 0.00 0.00 41.25 40.74 3ksc s ASN 336 CO -0.05 -0.23 1.89 -0.65 -2.79 0.00 0.00 177.10 175.26 3ksc h PRO 337 N 7.85 0.00 -0.38 0.43 0.11 -2.00 0.17 132.00 138.18 3ksc h PRO 337 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3ksc h PRO 337 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3ksc h PRO 337 CO 0.44 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.62 3ksc n GLU 338 N -3.10 3.01 0.00 1.05 -0.58 -1.26 -4.74 120.64 115.01 3ksc n GLU 338 Ca 0.01 -2.42 0.00 0.00 -0.42 0.00 0.00 57.16 54.33 3ksc n GLU 338 Cb 0.47 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 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 0.36 1.90 0.00 0.62 0.00 0.43 -4.29 120.51 119.53 3ksc n ALA 339 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3ksc n ALA 339 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 0.79 0.12 3.08 0.00 0.00 -0.19 0.29 105.19 109.28 3ksc n GLY 340 Ca 0.00 -1.30 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.00 0.40 -0.06 1.61 1.70 -0.82 -0.57 118.95 119.21 3ksc s ARG 341 Ca 0.00 -0.30 0.03 0.00 -0.47 0.00 0.00 55.73 54.99 3ksc s ARG 341 Cb 0.00 0.17 0.01 0.00 -0.57 0.00 0.00 34.95 34.55 3ksc s ARG 341 CO 0.00 -0.09 -0.15 0.42 -1.08 0.00 0.00 175.30 174.40 3ksc s ILE 342 N -1.10 1.36 -0.06 4.99 -1.09 -0.33 -0.65 121.20 124.31 3ksc s ILE 342 Ca -0.12 -0.63 0.01 0.00 -2.23 0.00 0.00 60.65 57.68 3ksc s ILE 342 Cb -0.07 -1.20 0.02 0.00 -1.58 0.00 0.00 42.46 39.63 3ksc s ILE 342 CO 0.01 0.40 -0.08 -0.75 -1.23 0.00 0.00 174.94 173.29 3ksc s LYS 343 N 0.40 1.22 0.07 2.79 2.36 -0.06 0.08 119.74 126.61 3ksc s LYS 343 Ca -0.12 -0.23 0.06 0.00 -2.55 0.00 0.00 55.97 53.13 3ksc s LYS 343 Cb -0.15 -1.13 -0.04 0.00 -1.05 0.00 0.00 37.83 35.47 3ksc s LYS 343 CO 0.04 -0.06 -0.09 0.95 1.55 0.00 0.00 175.35 177.74 3ksc s THR 344 N 0.92 3.44 -0.24 3.43 -4.23 -1.26 0.03 115.64 117.73 3ksc s THR 344 Ca -0.11 -1.10 -0.02 0.00 -1.18 0.00 0.00 61.69 59.28 3ksc s THR 344 Cb -0.15 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.14 3ksc s THR 344 CO 0.01 0.21 -0.07 0.54 -0.54 0.00 0.00 174.62 174.77 3ksc s VAL 345 N -1.14 2.92 0.22 2.29 0.11 0.84 -4.99 120.40 120.65 3ksc s VAL 345 Ca 0.20 -0.89 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 3ksc s VAL 345 Cb -0.11 -2.42 0.00 0.00 -1.53 0.00 0.00 36.38 32.32 3ksc s VAL 345 CO 0.12 0.28 0.02 0.35 -3.33 0.00 0.00 175.10 172.54 3ksc n THR 346 N 4.70 0.00 0.46 5.04 -2.24 -1.26 -2.29 114.28 118.69 3ksc n THR 346 Ca -0.17 -1.00 0.12 0.00 -2.27 0.00 0.00 64.05 60.72 3ksc n THR 346 Cb 0.48 0.15 0.46 0.00 -2.10 0.00 0.00 70.33 69.32 3ksc n THR 346 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3ksc n SER 347 N -1.22 0.61 0.08 3.42 3.41 -0.95 -1.04 113.62 117.92 3ksc n SER 347 Ca -0.08 0.63 -0.05 0.00 -0.26 0.00 0.00 58.87 59.11 3ksc n SER 347 Cb 0.27 -0.77 0.14 0.00 -0.26 0.00 0.00 64.21 63.59 3ksc n SER 347 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ksc h LEU 348 N 0.00 0.30 0.17 1.04 3.38 -1.94 -3.02 115.31 115.24 3ksc h LEU 348 Ca 0.00 -0.16 -0.30 0.00 0.09 0.00 0.00 57.88 57.51 3ksc h LEU 348 Cb 0.42 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.09 3ksc h LEU 348 CO 0.00 0.79 -1.48 0.44 0.09 0.00 0.00 178.44 178.28 3ksc h ASP 349 N 0.21 0.55 -2.96 -0.43 5.19 -1.74 -3.43 116.42 113.81 3ksc h ASP 349 Ca 0.00 -0.91 -0.60 0.00 -0.62 0.00 0.00 57.03 54.91 3ksc h ASP 349 Cb 1.04 -0.18 -0.39 0.00 0.18 0.00 0.00 39.33 39.98 3ksc h ASP 349 CO 0.09 1.67 -0.81 -0.22 -3.12 0.00 0.00 179.24 176.85 3ksc s LEU 350 N -7.50 2.04 0.52 1.55 2.96 -0.21 -5.00 118.68 113.03 3ksc s LEU 350 Ca -0.16 -2.64 0.25 0.00 -0.22 0.00 0.00 54.13 51.36 3ksc s LEU 350 Cb 0.04 -0.76 1.39 0.00 0.50 0.00 0.00 46.19 47.36 3ksc s LEU 350 CO 0.83 -0.25 1.98 -0.65 -1.32 0.00 0.00 176.35 176.94 3ksc h PRO 351 N 6.54 0.03 0.00 0.98 0.11 -1.78 0.28 132.00 138.15 3ksc h PRO 351 Ca 0.07 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3ksc h PRO 351 Cb 0.93 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3ksc h PRO 351 CO 0.41 0.02 0.00 -0.24 -0.21 0.00 0.00 178.00 177.97 3ksc h VAL 352 N 0.03 0.00 0.00 3.15 3.04 -1.86 -1.97 116.25 118.64 3ksc h VAL 352 Ca 0.28 -0.07 -0.01 0.00 -1.01 0.00 0.00 66.70 65.89 3ksc h VAL 352 Cb 1.10 0.92 -0.00 0.00 -2.01 0.00 0.00 31.29 31.30 3ksc h VAL 352 CO -0.01 0.00 -0.07 -0.07 -1.01 0.00 0.00 177.57 176.41 3ksc h LEU 353 N 0.00 0.00 -1.55 3.16 4.07 -1.26 -2.01 115.31 117.72 3ksc h LEU 353 Ca 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 3ksc h LEU 353 Cb 0.07 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 3ksc h LEU 353 CO 0.00 0.07 -0.24 0.08 -1.08 0.00 0.00 178.44 177.27 3ksc h ARG 354 N 0.00 0.00 0.01 1.13 0.11 -1.56 0.12 114.38 114.19 3ksc h ARG 354 Ca -0.00 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.83 3ksc h ARG 354 Cb 0.30 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.39 3ksc h ARG 354 CO 0.01 0.24 -1.01 -1.49 0.10 0.00 0.00 179.97 177.82 3ksc h TRP 355 N 0.00 0.83 0.00 4.08 4.06 -1.56 -3.26 115.95 120.10 3ksc h TRP 355 Ca -0.00 -0.46 0.00 0.00 2.06 0.00 0.00 58.89 60.49 3ksc h TRP 355 Cb 0.47 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.54 3ksc h TRP 355 CO 0.00 1.29 -0.26 -0.07 -3.56 0.00 0.00 178.44 175.84 3ksc h LEU 356 N 0.31 0.00 -1.68 -4.49 4.07 -1.45 -3.48 115.31 108.58 3ksc h LEU 356 Ca -0.11 -0.02 -0.47 0.00 0.08 0.00 0.00 57.88 57.36 3ksc h LEU 356 Cb 1.66 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.37 3ksc h LEU 356 CO 0.19 0.01 -0.85 0.29 -1.08 0.00 0.00 178.44 177.00 3ksc n LYS 357 N -2.79 -4.17 -4.22 1.13 4.76 0.40 -4.93 118.16 108.33 3ksc n LYS 357 Ca 0.03 0.51 -0.15 0.00 -2.87 0.00 0.00 58.31 55.83 3ksc n LYS 357 Cb 0.51 -4.93 -0.10 0.00 -1.84 0.00 0.00 35.03 28.66 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 -6.92 2.46 0.36 -0.35 1.43 -1.20 -2.81 118.68 111.66 3ksc s LEU 358 Ca 0.14 -0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 52.22 3ksc s LEU 358 Cb -0.07 -0.37 0.03 0.00 0.03 0.00 0.00 46.19 45.81 3ksc s LEU 358 CO 0.86 -0.27 0.67 -0.94 0.23 0.00 0.00 176.35 176.90 3ksc s SER 359 N -2.78 0.30 0.02 2.29 1.04 -0.29 -4.07 113.70 110.21 3ksc s SER 359 Ca 0.11 -1.23 -0.18 0.00 0.48 0.00 0.00 55.95 55.13 3ksc s SER 359 Cb -0.01 0.78 0.03 0.00 0.10 0.00 0.00 66.02 66.92 3ksc s SER 359 CO 0.01 -1.53 0.39 0.00 0.98 0.00 0.00 173.24 173.09 3ksc s ALA 360 N -2.68 -0.98 -0.06 5.32 0.00 -0.97 -0.73 121.76 121.66 3ksc s ALA 360 Ca 0.20 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.58 3ksc s ALA 360 Cb -0.03 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.31 3ksc s ALA 360 CO 0.14 -0.38 -0.14 -2.00 0.00 0.00 0.00 175.76 173.38 3ksc s GLU 361 N -1.98 1.84 -0.13 0.00 2.12 -0.11 -0.11 118.70 120.32 3ksc s GLU 361 Ca -0.08 -0.50 0.00 0.00 0.36 0.00 0.00 54.97 54.75 3ksc s GLU 361 Cb -0.02 -1.51 -0.01 0.00 0.26 0.00 0.00 34.13 32.84 3ksc s GLU 361 CO 0.01 0.09 -0.14 -1.58 -0.54 0.00 0.00 175.26 173.10 3ksc s HIS 362 N 0.48 2.79 0.05 5.30 5.65 0.10 0.48 115.29 130.15 3ksc s HIS 362 Ca -0.13 -0.73 0.03 0.00 0.25 0.00 0.00 55.06 54.49 3ksc s HIS 362 Cb -0.15 -1.85 -0.02 0.00 -1.18 0.00 0.00 32.58 29.38 3ksc s HIS 362 CO 0.04 -0.27 -0.10 0.20 -0.65 0.00 0.00 174.74 173.96 3ksc s GLY 363 N 0.43 0.63 -0.05 1.59 0.00 -0.40 -0.88 107.32 108.65 3ksc s GLY 363 Ca -0.10 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 43.83 3ksc s GLY 363 CO 0.05 -0.84 -0.09 -0.45 0.00 0.00 0.00 173.10 171.78 3ksc s SER 364 N -1.49 1.30 -0.08 1.64 0.15 0.17 -1.22 113.70 114.18 3ksc s SER 364 Ca -0.06 -0.20 0.03 0.00 0.70 0.00 0.00 55.95 56.42 3ksc s SER 364 Cb -0.09 -0.55 0.01 0.00 -1.71 0.00 0.00 66.02 63.68 3ksc s SER 364 CO 0.01 0.01 -0.15 -0.76 1.20 0.00 0.00 173.24 173.55 3ksc s LEU 365 N 0.61 1.74 0.89 3.45 1.43 0.16 -1.95 118.68 125.01 3ksc s LEU 365 Ca -0.10 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.52 3ksc s LEU 365 Cb -0.13 -0.98 0.12 0.00 0.03 0.00 0.00 46.19 45.24 3ksc s LEU 365 CO 0.02 0.06 1.09 -1.00 0.23 0.00 0.00 176.35 176.75 3ksc s HIS 366 N 0.63 2.26 0.15 0.29 3.76 0.14 -0.95 115.29 121.57 3ksc s HIS 366 Ca -0.15 1.36 -0.33 0.00 -0.15 0.00 0.00 55.06 55.80 3ksc s HIS 366 Cb -0.16 -3.15 -0.12 0.00 1.11 0.00 0.00 32.58 30.26 3ksc s HIS 366 CO 0.04 -2.39 1.72 1.17 -0.85 0.00 0.00 174.74 174.43 3ksc n LYS 367 N -3.90 2.52 -0.92 1.40 4.81 -0.97 -2.06 118.16 119.03 3ksc n LYS 367 Ca 0.08 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.43 3ksc n LYS 367 Cb 0.54 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.85 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 4.42 -3.49 -4.91 3.14 5.03 -0.31 -4.65 115.26 114.49 3ksc n ASN 368 Ca 0.17 0.00 -0.27 0.00 0.87 0.00 0.00 54.58 55.36 3ksc n ASN 368 Cb 0.33 -2.02 -0.00 0.00 -1.02 0.00 0.00 39.78 37.07 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 -1.65 3.44 0.09 5.41 0.00 -0.88 -3.54 121.76 124.64 3ksc s ALA 369 Ca 0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 51.96 51.39 3ksc s ALA 369 Cb 0.00 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 3ksc s ALA 369 CO 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 175.76 175.44 3ksc s MET 370 N -4.68 0.77 -0.14 0.00 0.23 -0.44 -1.66 119.30 113.38 3ksc s MET 370 Ca 0.46 -1.32 -0.08 0.00 -1.03 0.00 0.00 55.69 53.72 3ksc s MET 370 Cb -0.10 0.08 -0.04 0.00 -1.53 0.00 0.00 34.83 33.24 3ksc s MET 370 CO 0.44 -0.12 0.14 -0.59 -2.03 0.00 0.00 175.02 172.86 3ksc s PHE 371 N -3.86 3.54 0.77 3.16 -0.12 -0.94 -0.44 117.98 120.10 3ksc s PHE 371 Ca 0.13 0.47 -0.15 0.00 -0.05 0.00 0.00 56.93 57.34 3ksc s PHE 371 Cb 0.07 -2.02 0.05 0.00 -0.63 0.00 0.00 43.02 40.49 3ksc s PHE 371 CO -0.05 0.59 1.10 1.33 -0.05 0.00 0.00 175.22 178.14 3ksc n VAL 372 N 2.47 2.48 -1.65 -2.49 0.24 -0.32 -3.46 118.33 115.59 3ksc n VAL 372 Ca -0.19 -0.29 -0.43 0.00 -2.04 0.00 0.00 64.34 61.40 3ksc n VAL 372 Cb 0.54 -1.17 -0.00 0.00 -1.47 0.00 0.00 33.84 31.74 3ksc n VAL 372 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3ksc n PRO 373 N -2.61 1.78 -3.62 7.34 -0.02 -1.26 -4.72 135.00 131.89 3ksc n PRO 373 Ca 0.13 0.63 -0.08 0.00 -2.02 0.00 0.00 63.50 62.16 3ksc n PRO 373 Cb 0.50 -2.15 -0.02 0.00 -0.02 0.00 0.00 33.50 31.81 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 -1.12 -0.30 0.13 6.00 -3.43 -0.59 -0.78 115.29 115.19 3ksc s HIS 374 Ca 0.58 0.04 0.02 0.00 -0.80 0.00 0.00 55.06 54.90 3ksc s HIS 374 Cb -0.60 0.60 -0.04 0.00 -1.43 0.00 0.00 32.58 31.11 3ksc s HIS 374 CO 0.60 -0.83 -0.04 1.52 -2.00 0.00 0.00 174.74 174.00 3ksc s TYR 375 N -3.46 1.02 -0.23 0.38 -0.85 -0.83 -0.20 117.35 113.18 3ksc s TYR 375 Ca 0.07 -0.95 -0.18 0.00 -0.52 0.00 0.00 57.07 55.49 3ksc s TYR 375 Cb -0.02 -0.58 -0.03 0.00 0.38 0.00 0.00 41.96 41.71 3ksc s TYR 375 CO -0.04 -0.17 0.52 -0.80 -1.52 0.00 0.00 175.55 173.54 3ksc s ASN 376 N -3.10 6.50 0.14 -0.18 0.01 -1.26 -0.82 114.94 116.22 3ksc s ASN 376 Ca 0.17 0.60 -0.19 0.00 -0.71 0.00 0.00 52.86 52.73 3ksc s ASN 376 Cb 0.05 -2.29 -0.00 0.00 0.41 0.00 0.00 41.25 39.42 3ksc s ASN 376 CO -0.01 -0.24 1.71 -0.07 -1.51 0.00 0.00 177.10 176.98 3ksc h LEU 377 N 8.39 -0.12 -5.31 0.60 4.07 -1.06 -1.16 115.31 120.72 3ksc h LEU 377 Ca -0.31 0.06 -0.24 0.00 0.08 0.00 0.00 57.88 57.46 3ksc h LEU 377 Cb 1.15 0.11 -0.36 0.00 1.08 0.00 0.00 40.66 42.64 3ksc h LEU 377 CO 0.73 -0.03 -0.98 -0.46 -1.08 0.00 0.00 178.44 176.62 3ksc n ASN 378 N -5.16 1.02 -3.59 -0.43 0.23 -1.26 -4.65 115.26 101.41 3ksc n ASN 378 Ca -0.01 -2.14 -0.12 0.00 -0.53 0.00 0.00 54.58 51.78 3ksc n ASN 378 Cb 0.13 -0.27 -0.06 0.00 -2.08 0.00 0.00 39.78 37.50 3ksc n ASN 378 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ksc s ALA 379 N -3.04 -1.90 0.38 -2.53 0.00 -1.26 -4.61 121.76 108.79 3ksc s ALA 379 Ca 0.24 1.68 -0.18 0.00 0.00 0.00 0.00 51.96 53.70 3ksc s ALA 379 Cb 0.36 -0.87 -0.10 0.00 0.00 0.00 0.00 23.12 22.51 3ksc s ALA 379 CO -0.05 -0.30 0.85 -0.80 0.00 0.00 0.00 175.76 175.47 3ksc s ASN 380 N -0.55 6.86 -0.10 0.00 0.01 -1.26 -3.36 114.94 116.54 3ksc s ASN 380 Ca -0.02 1.50 0.03 0.00 -0.71 0.00 0.00 52.86 53.67 3ksc s ASN 380 Cb -0.02 -2.46 0.01 0.00 0.41 0.00 0.00 41.25 39.18 3ksc s ASN 380 CO 0.00 -0.29 -0.20 -0.44 -1.51 0.00 0.00 177.10 174.66 3ksc s SER 381 N -2.23 2.70 -0.37 -1.22 0.01 -0.49 -1.92 113.70 110.18 3ksc s SER 381 Ca 0.58 -0.49 -0.11 0.00 1.31 0.00 0.00 55.95 57.25 3ksc s SER 381 Cb -0.10 -1.23 0.02 0.00 0.21 0.00 0.00 66.02 64.92 3ksc s SER 381 CO 0.15 0.10 0.21 -0.63 0.41 0.00 0.00 173.24 173.48 3ksc s ILE 382 N 0.57 4.66 -0.26 1.44 -1.09 0.15 0.17 121.20 126.84 3ksc s ILE 382 Ca -0.15 -0.75 -0.18 0.00 -2.23 0.00 0.00 60.65 57.35 3ksc s ILE 382 Cb -0.17 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 3ksc s ILE 382 CO 0.05 -0.19 0.51 -0.63 -1.23 0.00 0.00 174.94 173.45 3ksc s ILE 383 N 1.58 5.07 -0.25 2.92 1.01 0.52 -0.77 121.20 131.28 3ksc s ILE 383 Ca 0.03 0.86 -0.05 0.00 0.00 0.00 0.00 60.65 61.48 3ksc s ILE 383 Cb -0.19 -3.83 -0.00 0.00 0.01 0.00 0.00 42.46 38.45 3ksc s ILE 383 CO 0.07 0.08 0.02 -0.47 0.00 0.00 0.00 174.94 174.64 3ksc s TYR 384 N 2.31 3.06 -0.16 3.97 5.04 -0.51 0.04 117.35 131.10 3ksc s TYR 384 Ca 0.21 -0.89 -0.29 0.00 -2.44 0.00 0.00 57.07 53.66 3ksc s TYR 384 Cb -0.16 -2.18 -0.02 0.00 0.35 0.00 0.00 41.96 39.95 3ksc s TYR 384 CO 0.09 -0.53 1.35 0.00 -1.34 0.00 0.00 175.55 175.12 3ksc s ALA 385 N 1.50 3.62 -0.20 3.97 0.00 0.23 -1.70 121.76 129.18 3ksc s ALA 385 Ca 0.04 0.52 -0.19 0.00 0.00 0.00 0.00 51.96 52.34 3ksc s ALA 385 Cb -0.16 -3.66 -0.20 0.00 0.00 0.00 0.00 23.12 19.10 3ksc s ALA 385 CO 0.00 -1.29 0.19 1.28 0.00 0.00 0.00 175.76 175.94 3ksc n LEU 386 N 6.85 2.00 -3.98 0.00 4.77 0.79 0.36 117.00 127.79 3ksc n LEU 386 Ca 0.15 0.38 -0.12 0.00 -0.03 0.00 0.00 56.01 56.38 3ksc n LEU 386 Cb 0.45 -0.98 -0.12 0.00 -2.33 0.00 0.00 43.42 40.43 3ksc n LEU 386 CO 0.58 0.39 -0.38 -0.54 -1.33 0.00 0.00 177.39 176.11 3ksc s LYS 387 N -2.41 0.34 1.82 3.23 1.02 -0.70 -4.63 119.74 118.41 3ksc s LYS 387 Ca -0.29 -0.44 0.00 0.00 0.02 0.00 0.00 55.97 55.26 3ksc s LYS 387 Cb 0.07 -0.14 0.00 0.00 -0.52 0.00 0.00 37.83 37.24 3ksc s LYS 387 CO 0.61 0.02 0.00 0.41 -0.92 0.00 0.00 175.35 175.48 3ksc n GLY 388 N 2.14 -1.23 3.15 -3.33 0.00 -1.26 -1.96 105.19 102.72 3ksc n GLY 388 Ca -0.19 -1.22 -0.15 0.00 0.00 0.00 0.00 46.02 44.46 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 0.78 0.06 1.61 0.52 -1.26 -0.09 118.95 120.57 3ksc s ARG 389 Ca 0.00 -1.04 -0.05 0.00 -0.52 0.00 0.00 55.73 54.12 3ksc s ARG 389 Cb 0.00 -0.55 -0.02 0.00 0.52 0.00 0.00 34.95 34.90 3ksc s ARG 389 CO 0.00 0.10 0.08 0.00 0.02 0.00 0.00 175.30 175.50 3ksc s ALA 390 N -2.00 0.10 -0.28 2.13 0.00 -0.64 -1.81 121.76 119.26 3ksc s ALA 390 Ca 0.01 -0.84 -0.14 0.00 0.00 0.00 0.00 51.96 50.99 3ksc s ALA 390 Cb -0.06 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 3ksc s ALA 390 CO 0.01 -0.41 0.34 0.50 0.00 0.00 0.00 175.76 176.20 3ksc s ARG 391 N -3.60 3.97 0.05 0.00 3.00 0.15 -0.34 118.95 122.18 3ksc s ARG 391 Ca 0.03 -0.06 0.07 0.00 -1.00 0.00 0.00 55.73 54.78 3ksc s ARG 391 Cb 0.05 -3.67 -0.03 0.00 0.00 0.00 0.00 34.95 31.29 3ksc s ARG 391 CO -0.09 -0.28 -0.18 -0.51 0.00 0.00 0.00 175.30 174.23 3ksc s LEU 392 N 2.02 2.63 -0.06 -0.88 1.02 0.39 0.11 118.68 123.91 3ksc s LEU 392 Ca 0.13 -0.44 0.02 0.00 0.02 0.00 0.00 54.13 53.87 3ksc s LEU 392 Cb -0.16 -1.53 0.01 0.00 0.02 0.00 0.00 46.19 44.54 3ksc s LEU 392 CO 0.10 0.24 -0.13 -1.10 0.02 0.00 0.00 176.35 175.49 3ksc s GLN 393 N -1.54 1.70 -0.04 1.70 -0.21 -0.41 -1.61 119.66 119.25 3ksc s GLN 393 Ca 0.15 -0.43 0.04 0.00 0.02 0.00 0.00 55.36 55.15 3ksc s GLN 393 Cb -0.10 -1.41 -0.00 0.00 1.00 0.00 0.00 33.01 32.49 3ksc s GLN 393 CO 0.06 0.05 -0.18 0.54 -2.12 0.00 0.00 175.29 173.64 3ksc s VAL 394 N 0.60 1.48 0.12 1.09 0.11 -0.68 -0.97 120.40 122.16 3ksc s VAL 394 Ca -0.14 -0.75 0.10 0.00 -2.93 0.00 0.00 61.98 58.27 3ksc s VAL 394 Cb -0.15 -1.27 -0.04 0.00 -1.53 0.00 0.00 36.38 33.39 3ksc s VAL 394 CO 0.04 0.43 -0.26 0.54 -3.33 0.00 0.00 175.10 172.51 3ksc s VAL 395 N 0.02 2.17 0.00 2.04 0.11 0.44 -1.77 120.40 123.41 3ksc s VAL 395 Ca -0.04 -1.68 0.00 0.00 -2.93 0.00 0.00 61.98 57.33 3ksc s VAL 395 Cb -0.12 -1.92 0.00 0.00 -1.53 0.00 0.00 36.38 32.82 3ksc s VAL 395 CO 0.02 0.10 0.00 -0.46 -3.33 0.00 0.00 175.10 171.44 3ksc n ASN 396 N 1.04 0.00 0.00 3.54 0.23 -0.86 -1.63 115.26 117.59 3ksc n ASN 396 Ca -0.18 -0.39 0.14 0.00 -0.53 0.00 0.00 54.58 53.63 3ksc n ASN 396 Cb 0.53 0.00 0.73 0.00 -2.08 0.00 0.00 39.78 38.96 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 -1.31 3.55 0.00 0.00 4.13 -1.26 -4.95 115.26 115.43 3ksc n ASN 398 Ca 0.13 -3.08 0.00 0.00 1.68 0.00 0.00 54.58 53.31 3ksc n ASN 398 Cb 0.25 -0.53 0.00 0.00 -1.54 0.00 0.00 39.78 37.95 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 -0.70 0.47 3.77 7.41 0.00 -1.18 -4.98 105.19 109.98 3ksc n GLY 399 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.45 6.76 -0.78 1.61 0.02 -1.26 -4.82 114.94 114.01 3ksc s ASN 400 Ca 0.00 2.32 -0.19 0.00 -1.02 0.00 0.00 52.86 53.96 3ksc s ASN 400 Cb 0.00 -2.62 0.12 0.00 0.02 0.00 0.00 41.25 38.77 3ksc s ASN 400 CO 0.00 -0.51 0.97 -0.89 0.02 0.00 0.00 177.10 176.69 3ksc s THR 401 N -1.36 4.70 -0.58 1.60 2.01 -1.26 -2.02 115.64 118.73 3ksc s THR 401 Ca 0.53 -1.20 0.24 0.00 0.31 0.00 0.00 61.69 61.58 3ksc s THR 401 Cb -0.31 -4.67 0.16 0.00 0.01 0.00 0.00 72.50 67.69 3ksc s THR 401 CO 0.39 -1.38 1.47 -0.37 -0.69 0.00 0.00 174.62 174.04 3ksc h VAL 402 N 5.81 0.00 -3.14 3.82 -1.51 -1.57 -3.44 116.25 116.22 3ksc h VAL 402 Ca -0.06 -0.64 -0.17 0.00 -1.23 0.00 0.00 66.70 64.61 3ksc h VAL 402 Cb 1.05 1.40 -0.26 0.00 -2.13 0.00 0.00 31.29 31.36 3ksc h VAL 402 CO 1.10 0.00 -0.43 0.12 -1.23 0.00 0.00 177.57 177.13 3ksc s PHE 403 N -3.18 -0.27 -0.45 5.19 5.36 -1.10 -0.57 117.98 122.96 3ksc s PHE 403 Ca 0.07 0.65 0.07 0.00 -0.96 0.00 0.00 56.93 56.76 3ksc s PHE 403 Cb 0.11 0.09 0.18 0.00 -0.34 0.00 0.00 43.02 43.06 3ksc s PHE 403 CO 0.68 -0.13 0.63 0.34 -1.46 0.00 0.00 175.22 175.28 3ksc s ASP 404 N 0.14 -1.07 0.00 6.13 2.15 -1.25 -1.68 116.67 121.09 3ksc s ASP 404 Ca -0.00 -1.37 0.00 0.00 0.43 0.00 0.00 52.55 51.61 3ksc s ASP 404 Cb -0.02 1.67 0.00 0.00 -0.30 0.00 0.00 42.92 44.27 3ksc s ASP 404 CO 0.00 -0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.48 3ksc n GLY 405 N 3.72 0.84 3.76 2.66 0.00 -0.63 -4.98 105.19 110.55 3ksc n GLY 405 Ca 0.15 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.15 4.39 -0.27 1.61 2.12 -1.25 -0.46 118.70 124.68 3ksc s GLU 406 Ca 0.00 0.89 -0.01 0.00 0.36 0.00 0.00 54.97 56.20 3ksc s GLU 406 Cb 0.00 -3.33 0.04 0.00 0.26 0.00 0.00 34.13 31.10 3ksc s GLU 406 CO 0.00 0.39 -0.04 -1.17 -0.54 0.00 0.00 175.26 173.90 3ksc s LEU 407 N -0.32 3.53 0.18 2.70 2.96 0.54 -4.84 118.68 123.43 3ksc s LEU 407 Ca 0.34 -1.08 0.05 0.00 -0.22 0.00 0.00 54.13 53.21 3ksc s LEU 407 Cb -0.20 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 3ksc s LEU 407 CO 0.20 -0.19 0.22 -1.83 -1.32 0.00 0.00 176.35 173.43 3ksc s GLU 408 N 1.28 3.15 0.21 1.98 -1.05 -1.26 -1.63 118.70 121.38 3ksc s GLU 408 Ca -0.03 -0.80 -0.28 0.00 -0.15 0.00 0.00 54.97 53.71 3ksc s GLU 408 Cb -0.18 -2.77 -0.17 0.00 -0.44 0.00 0.00 34.13 30.57 3ksc s GLU 408 CO -0.03 0.48 0.58 0.00 0.95 0.00 0.00 175.26 177.24 3ksc n ALA 409 N -0.69 -2.57 -0.66 -0.84 0.00 0.87 -2.07 120.51 114.56 3ksc n ALA 409 Ca -0.08 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3ksc n ALA 409 Cb 0.55 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 1.91 0.75 3.39 0.00 0.00 0.16 -4.96 105.19 106.43 3ksc n GLY 410 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.34 1.45 -0.02 1.61 0.52 -0.88 -4.76 118.95 116.53 3ksc s ARG 411 Ca 0.00 -1.53 0.05 0.00 -0.52 0.00 0.00 55.73 53.73 3ksc s ARG 411 Cb 0.00 -1.60 -0.03 0.00 0.52 0.00 0.00 34.95 33.85 3ksc s ARG 411 CO 0.00 0.33 -0.18 0.00 0.02 0.00 0.00 175.30 175.47 3ksc s ALA 412 N -2.05 2.53 -0.11 2.13 0.00 -0.36 -0.60 121.76 123.29 3ksc s ALA 412 Ca 0.21 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.13 3ksc s ALA 412 Cb -0.06 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.25 3ksc s ALA 412 CO 0.09 0.55 -0.17 -1.17 0.00 0.00 0.00 175.76 175.07 3ksc s LEU 413 N -0.85 1.81 -0.13 0.00 2.96 0.11 -0.05 118.68 122.52 3ksc s LEU 413 Ca 0.12 -0.46 -0.26 0.00 -0.22 0.00 0.00 54.13 53.31 3ksc s LEU 413 Cb -0.10 -1.15 -0.02 0.00 0.50 0.00 0.00 46.19 45.41 3ksc s LEU 413 CO 0.01 0.04 0.83 -0.89 -1.32 0.00 0.00 176.35 175.02 3ksc s THR 414 N 0.88 4.90 -0.32 3.68 2.01 -1.26 -0.35 115.64 125.18 3ksc s THR 414 Ca -0.08 1.66 0.02 0.00 0.31 0.00 0.00 61.69 63.60 3ksc s THR 414 Cb -0.15 -4.15 0.08 0.00 0.01 0.00 0.00 72.50 68.29 3ksc s THR 414 CO -0.00 0.07 0.03 -0.69 -0.69 0.00 0.00 174.62 173.34 3ksc s VAL 415 N 1.82 2.52 0.66 3.82 1.01 0.13 -4.99 120.40 125.37 3ksc s VAL 415 Ca 0.40 -1.98 -0.17 0.00 0.00 0.00 0.00 61.98 60.23 3ksc s VAL 415 Cb -0.17 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 3ksc s VAL 415 CO 0.15 -0.39 1.20 -2.65 0.00 0.00 0.00 175.10 173.40 3ksc n PRO 416 N 4.41 0.94 -1.56 2.72 -0.02 -1.26 -1.40 135.00 138.83 3ksc n PRO 416 Ca -0.04 0.38 -0.49 0.00 -2.02 0.00 0.00 63.50 61.32 3ksc n PRO 416 Cb 0.42 -2.43 -0.04 0.00 -0.02 0.00 0.00 33.50 31.43 3ksc n PRO 416 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3ksc n GLN 417 N -1.86 1.03 0.00 -0.52 7.27 -1.21 -2.18 117.38 119.91 3ksc n GLN 417 Ca 0.15 0.37 0.00 0.00 0.07 0.00 0.00 57.00 57.59 3ksc n GLN 417 Cb 0.48 -1.84 0.00 0.00 2.41 0.00 0.00 30.24 31.29 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 1.98 0.00 -4.72 1.69 5.03 -0.44 -4.96 115.26 113.83 3ksc n ASN 418 Ca 0.15 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.19 3ksc n ASN 418 Cb 0.23 -0.02 -0.03 0.00 -1.02 0.00 0.00 39.78 38.95 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 -0.93 2.94 0.23 3.10 1.51 -0.92 -4.80 117.35 118.47 3ksc s TYR 419 Ca 0.00 0.50 -0.26 0.00 -1.01 0.00 0.00 57.07 56.30 3ksc s TYR 419 Cb 0.00 -4.06 -0.09 0.00 -0.11 0.00 0.00 41.96 37.70 3ksc s TYR 419 CO 0.00 -3.92 0.85 0.00 -1.11 0.00 0.00 175.55 171.37 3ksc s ALA 420 N 0.99 3.36 0.02 3.71 0.00 -0.64 -4.40 121.76 124.80 3ksc s ALA 420 Ca 0.72 0.45 0.02 0.00 0.00 0.00 0.00 51.96 53.14 3ksc s ALA 420 Cb -0.48 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 3ksc s ALA 420 CO 0.34 0.25 -0.07 0.54 0.00 0.00 0.00 175.76 176.82 3ksc s VAL 421 N -1.31 0.48 0.02 0.00 0.11 0.72 -0.42 120.40 120.00 3ksc s VAL 421 Ca 0.41 -0.72 -0.05 0.00 -2.93 0.00 0.00 61.98 58.70 3ksc s VAL 421 Cb -0.22 -0.49 -0.01 0.00 -1.53 0.00 0.00 36.38 34.12 3ksc s VAL 421 CO 0.27 -0.18 0.07 0.00 -3.33 0.00 0.00 175.10 171.93 3ksc s ALA 422 N -0.86 -0.12 0.01 1.54 0.00 -0.14 -1.55 121.76 120.65 3ksc s ALA 422 Ca -0.05 -0.39 0.03 0.00 0.00 0.00 0.00 51.96 51.55 3ksc s ALA 422 Cb -0.07 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 3ksc s ALA 422 CO 0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 175.76 175.45 3ksc s ALA 423 N -1.71 0.73 -0.07 0.00 0.00 -1.22 -1.28 121.76 118.20 3ksc s ALA 423 Ca -0.13 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.33 3ksc s ALA 423 Cb -0.07 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 22.95 3ksc s ALA 423 CO -0.01 0.14 -0.07 0.21 0.00 0.00 0.00 175.76 176.03 3ksc s LYS 424 N -0.63 1.27 0.14 0.00 2.47 0.12 -2.21 119.74 120.90 3ksc s LYS 424 Ca 0.00 -0.22 -0.30 0.00 -1.56 0.00 0.00 55.97 53.89 3ksc s LYS 424 Cb -0.05 -1.23 -0.07 0.00 -1.46 0.00 0.00 37.83 35.02 3ksc s LYS 424 CO 0.00 -0.12 1.01 0.45 0.16 0.00 0.00 175.35 176.85 3ksc s SER 425 N 1.16 7.42 0.00 1.43 0.15 -0.66 0.33 113.70 123.53 3ksc s SER 425 Ca -0.06 1.90 0.19 0.00 0.70 0.00 0.00 55.95 58.68 3ksc s SER 425 Cb -0.14 -2.59 0.19 0.00 -1.71 0.00 0.00 66.02 61.77 3ksc s SER 425 CO -0.02 -0.11 1.15 0.18 1.20 0.00 0.00 173.24 175.64 3ksc n LEU 426 N 2.61 2.73 -4.42 3.45 4.77 -0.75 -1.16 117.00 124.22 3ksc n LEU 426 Ca 0.02 -1.11 -0.22 0.00 -0.03 0.00 0.00 56.01 54.68 3ksc n LEU 426 Cb 0.48 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.43 3ksc n LEU 426 CO 0.52 0.50 -0.45 -0.44 -1.33 0.00 0.00 177.39 176.20 3ksc s SER 427 N -1.56 3.11 0.28 -1.43 0.01 -1.23 -4.91 113.70 107.97 3ksc s SER 427 Ca 0.25 -1.05 0.01 0.00 1.31 0.00 0.00 55.95 56.46 3ksc s SER 427 Cb 0.17 -0.22 0.64 0.00 0.21 0.00 0.00 66.02 66.82 3ksc s SER 427 CO 0.25 -0.10 1.68 -0.78 0.41 0.00 0.00 173.24 174.69 3ksc h ASP 428 N 2.37 0.13 -3.61 2.44 -0.00 -1.92 -2.83 116.42 113.00 3ksc h ASP 428 Ca -0.39 0.17 -0.28 0.00 -0.00 0.00 0.00 57.03 56.52 3ksc h ASP 428 Cb 1.24 0.19 -0.32 0.00 -0.00 0.00 0.00 39.33 40.45 3ksc h ASP 428 CO 0.62 -0.06 -0.73 -0.13 -0.00 0.00 0.00 179.24 178.94 3ksc s ARG 429 N -5.95 0.03 -0.19 0.28 1.81 -1.26 -2.30 118.95 111.37 3ksc s ARG 429 Ca -0.12 0.09 -0.01 0.00 -1.72 0.00 0.00 55.73 53.97 3ksc s ARG 429 Cb 0.24 -0.19 0.00 0.00 -0.45 0.00 0.00 34.95 34.55 3ksc s ARG 429 CO 0.77 -0.09 -0.12 0.12 -0.68 0.00 0.00 175.30 175.30 3ksc s PHE 430 N 0.62 2.86 0.07 -0.53 5.36 -0.13 -4.00 117.98 122.24 3ksc s PHE 430 Ca -0.05 -1.13 0.08 0.00 -0.96 0.00 0.00 56.93 54.87 3ksc s PHE 430 Cb -0.08 -1.99 -0.03 0.00 -0.34 0.00 0.00 43.02 40.58 3ksc s PHE 430 CO -0.02 -0.58 -0.21 -1.54 -1.46 0.00 0.00 175.22 171.41 3ksc s SER 431 N 1.20 2.58 0.11 6.13 1.04 -0.83 0.37 113.70 124.30 3ksc s SER 431 Ca 0.02 -0.60 -0.10 0.00 0.48 0.00 0.00 55.95 55.74 3ksc s SER 431 Cb -0.14 -0.18 0.01 0.00 0.10 0.00 0.00 66.02 65.80 3ksc s SER 431 CO -0.05 0.13 0.25 -0.72 0.98 0.00 0.00 173.24 173.83 3ksc s TYR 432 N -0.96 0.11 -0.11 5.02 1.13 -0.36 -0.15 117.35 122.04 3ksc s TYR 432 Ca 0.08 -0.51 0.02 0.00 -1.41 0.00 0.00 57.07 55.25 3ksc s TYR 432 Cb -0.09 0.01 0.01 0.00 -1.10 0.00 0.00 41.96 40.79 3ksc s TYR 432 CO 0.03 -0.61 -0.15 0.54 -2.51 0.00 0.00 175.55 172.85 3ksc s VAL 433 N -3.86 1.48 -0.26 -3.49 0.11 -0.69 -1.28 120.40 112.41 3ksc s VAL 433 Ca 0.06 -0.64 -0.07 0.00 -2.93 0.00 0.00 61.98 58.41 3ksc s VAL 433 Cb 0.04 -1.36 -0.02 0.00 -1.53 0.00 0.00 36.38 33.52 3ksc s VAL 433 CO -0.10 0.44 0.07 0.00 -3.33 0.00 0.00 175.10 172.18 3ksc s ALA 434 N 0.96 3.10 -0.05 1.54 0.00 0.18 -1.43 121.76 126.06 3ksc s ALA 434 Ca -0.07 -1.23 -0.26 0.00 0.00 0.00 0.00 51.96 50.40 3ksc s ALA 434 Cb -0.15 -2.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 3ksc s ALA 434 CO -0.01 -0.62 0.80 -0.06 0.00 0.00 0.00 175.76 175.87 3ksc s PHE 435 N 1.57 3.59 -0.08 0.00 0.08 0.05 -0.94 117.98 122.26 3ksc s PHE 435 Ca 0.05 1.40 0.05 0.00 0.12 0.00 0.00 56.93 58.55 3ksc s PHE 435 Cb -0.16 -2.93 -0.00 0.00 -0.57 0.00 0.00 43.02 39.36 3ksc s PHE 435 CO 0.03 0.03 -0.24 0.15 -0.10 0.00 0.00 175.22 175.08 3ksc s LYS 436 N 0.98 2.76 -0.14 0.44 1.02 0.09 -0.68 119.74 124.22 3ksc s LYS 436 Ca 0.42 -0.88 -0.00 0.00 0.02 0.00 0.00 55.97 55.53 3ksc s LYS 436 Cb -0.19 -2.20 0.09 0.00 -0.52 0.00 0.00 37.83 35.01 3ksc s LYS 436 CO 0.21 0.27 2.03 0.25 -0.92 0.00 0.00 175.35 177.19 3ksc n THR 437 N 3.25 2.35 -3.68 2.17 -2.24 -0.81 -1.14 114.28 114.18 3ksc n THR 437 Ca -0.18 -1.02 -0.12 0.00 -2.27 0.00 0.00 64.05 60.46 3ksc n THR 437 Cb 0.52 -1.44 -0.06 0.00 -2.10 0.00 0.00 70.33 67.26 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 1.22 -0.22 0.27 3.42 3.84 -1.12 -4.74 114.94 117.61 3ksc s ASN 438 Ca 0.14 -0.14 0.23 0.00 0.21 0.00 0.00 52.86 53.30 3ksc s ASN 438 Cb 0.11 0.42 0.19 0.00 -0.55 0.00 0.00 41.25 41.42 3ksc s ASN 438 CO -0.00 -0.70 1.30 -2.24 -2.79 0.00 0.00 177.10 172.67 3ksc h ASP 439 N 2.89 0.00 -2.23 -4.21 2.03 -1.71 -2.80 116.42 110.40 3ksc h ASP 439 Ca -0.32 -0.03 -0.60 0.00 -0.73 0.00 0.00 57.03 55.36 3ksc h ASP 439 Cb 1.22 0.00 -0.42 0.00 -0.83 0.00 0.00 39.33 39.30 3ksc h ASP 439 CO 0.45 0.01 -0.62 0.54 -1.03 0.00 0.00 179.24 178.60 3ksc n ARG 440 N -2.72 2.84 -2.03 4.15 5.12 -1.26 -2.25 116.66 120.51 3ksc n ARG 440 Ca 0.02 -4.76 -0.42 0.00 -1.93 0.00 0.00 57.85 50.76 3ksc n ARG 440 Cb 0.52 -2.25 -0.03 0.00 -1.16 0.00 0.00 32.46 29.55 3ksc n ARG 440 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ksc s ALA 441 N -2.92 3.62 -0.11 7.54 0.00 -1.25 -4.96 121.76 123.68 3ksc s ALA 441 Ca 0.44 0.93 -0.03 0.00 0.00 0.00 0.00 51.96 53.30 3ksc s ALA 441 Cb 0.21 -3.73 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 3ksc s ALA 441 CO -0.07 -1.35 0.00 0.20 0.00 0.00 0.00 175.76 174.54 3ksc s GLY 442 N 3.18 1.83 -0.02 0.00 0.00 -1.26 -5.04 107.32 106.02 3ksc s GLY 442 Ca 0.72 -0.80 0.02 0.00 0.00 0.00 0.00 44.72 44.66 3ksc s GLY 442 CO 0.29 -0.37 -0.03 -0.26 0.00 0.00 0.00 173.10 172.73 3ksc s ILE 443 N -0.43 3.92 -0.25 0.90 -4.36 -1.26 -0.37 121.20 119.35 3ksc s ILE 443 Ca 0.08 -0.61 -0.09 0.00 -0.26 0.00 0.00 60.65 59.77 3ksc s ILE 443 Cb -0.12 -2.70 -0.04 0.00 1.25 0.00 0.00 42.46 40.85 3ksc s ILE 443 CO 0.02 0.44 0.12 0.00 0.24 0.00 0.00 174.94 175.75 3ksc s ALA 444 N -0.99 3.35 0.05 2.27 0.00 -0.00 -4.92 121.76 121.51 3ksc s ALA 444 Ca 0.17 -1.05 -0.29 0.00 0.00 0.00 0.00 51.96 50.78 3ksc s ALA 444 Cb -0.11 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 3ksc s ALA 444 CO 0.07 -0.41 0.94 1.03 0.00 0.00 0.00 175.76 177.40 3ksc s ARG 445 N 1.48 4.61 0.11 0.00 0.52 -1.26 -1.96 118.95 122.45 3ksc s ARG 445 Ca 0.06 1.39 0.23 0.00 -0.52 0.00 0.00 55.73 56.89 3ksc s ARG 445 Cb -0.15 -3.41 0.07 0.00 0.52 0.00 0.00 34.95 31.98 3ksc s ARG 445 CO 0.06 0.10 1.06 1.28 0.02 0.00 0.00 175.30 177.82 3ksc n LEU 446 N 3.31 0.66 -3.90 2.53 4.32 0.04 -1.07 117.00 122.89 3ksc n LEU 446 Ca 0.03 0.15 -0.09 0.00 -0.02 0.00 0.00 56.01 56.09 3ksc n LEU 446 Cb 0.50 -0.10 -0.08 0.00 -1.62 0.00 0.00 43.42 42.12 3ksc n LEU 446 CO 0.51 -0.06 -0.15 0.00 -1.22 0.00 0.00 177.39 176.48 3ksc s ALA 447 N -3.27 -0.11 0.00 -1.18 0.00 -1.24 -4.45 121.76 111.51 3ksc s ALA 447 Ca 0.02 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.31 3ksc s ALA 447 Cb 0.13 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.65 3ksc s ALA 447 CO 0.79 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 176.50 3ksc n GLY 448 N 0.12 -1.23 0.48 0.00 0.00 -1.26 -4.69 105.19 98.61 3ksc n GLY 448 Ca -0.16 -2.17 -0.17 0.00 0.00 0.00 0.00 46.02 43.52 3ksc n GLY 448 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ksc h THR 449 N 0.00 0.04 -2.46 2.61 2.02 0.13 -3.19 112.91 112.06 3ksc h THR 449 Ca 0.00 0.00 -0.71 0.00 0.77 0.00 0.00 66.41 66.47 3ksc h THR 449 Cb 0.00 0.04 -0.35 0.00 -1.74 0.00 0.00 68.15 66.10 3ksc h THR 449 CO 0.00 0.00 0.17 -1.54 0.37 0.00 0.00 175.52 174.52 3ksc n SER 450 N -5.52 5.46 -4.95 4.18 3.41 -1.26 -4.88 113.62 110.05 3ksc n SER 450 Ca -0.10 -3.52 -0.23 0.00 -0.26 0.00 0.00 58.87 54.75 3ksc n SER 450 Cb 0.43 -0.95 0.02 0.00 -0.26 0.00 0.00 64.21 63.45 3ksc n SER 450 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3ksc s SER 451 N -2.22 4.86 0.04 4.04 1.04 -1.21 -4.62 113.70 115.63 3ksc s SER 451 Ca 0.38 -1.04 -0.24 0.00 0.48 0.00 0.00 55.95 55.53 3ksc s SER 451 Cb 0.15 0.27 -0.17 0.00 0.10 0.00 0.00 66.02 66.36 3ksc s SER 451 CO -0.01 -1.15 1.51 0.58 0.98 0.00 0.00 173.24 175.15 3ksc h VAL 452 N 0.56 1.16 -0.21 5.02 2.07 -1.33 -1.77 116.25 121.76 3ksc h VAL 452 Ca -0.35 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 66.67 3ksc h VAL 452 Cb 1.29 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.56 3ksc h VAL 452 CO 0.51 0.14 0.04 0.40 0.02 0.00 0.00 177.57 178.68 3ksc h ILE 453 N -0.25 0.91 -0.80 4.57 5.03 -1.84 -2.48 117.51 122.66 3ksc h ILE 453 Ca -0.00 -0.04 0.17 0.00 -0.12 0.00 0.00 64.86 64.86 3ksc h ILE 453 Cb 0.24 0.77 -0.15 0.00 -3.03 0.00 0.00 36.82 34.65 3ksc h ILE 453 CO 0.00 0.02 -0.16 0.78 -0.68 0.00 0.00 178.15 178.11 3ksc h ASN 454 N 0.13 -0.68 -0.17 1.72 2.35 -1.83 -0.64 115.58 116.47 3ksc h ASN 454 Ca 0.09 0.23 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 3ksc h ASN 454 Cb 0.08 0.47 0.00 0.00 0.05 0.00 0.00 38.32 38.93 3ksc h ASN 454 CO -0.12 -0.26 0.00 0.59 -1.65 0.00 0.00 177.43 175.99 3ksc n ASN 455 N -5.50 0.97 -4.89 5.81 4.13 -0.68 -4.79 115.26 110.31 3ksc n ASN 455 Ca 0.12 -2.01 -0.35 0.00 1.68 0.00 0.00 54.58 54.02 3ksc n ASN 455 Cb 0.43 -0.14 -0.05 0.00 -1.54 0.00 0.00 39.78 38.48 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 -0.98 4.38 0.37 3.41 1.43 -0.25 -5.06 118.68 121.98 3ksc s LEU 456 Ca 0.11 0.50 -0.27 0.00 -1.03 0.00 0.00 54.13 53.45 3ksc s LEU 456 Cb 0.06 -2.55 -0.11 0.00 0.03 0.00 0.00 46.19 43.62 3ksc s LEU 456 CO 0.07 0.29 1.23 -2.65 0.23 0.00 0.00 176.35 175.52 3ksc n PRO 457 N 1.26 1.91 -0.19 1.29 -0.02 -1.26 -4.80 135.00 133.18 3ksc n PRO 457 Ca -0.13 0.67 -0.02 0.00 -2.02 0.00 0.00 63.50 62.00 3ksc n PRO 457 Cb 0.53 -2.27 0.04 0.00 -0.02 0.00 0.00 33.50 31.78 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 2.23 -0.65 -0.59 2.45 5.85 -1.93 -1.83 115.31 120.84 3ksc h LEU 458 Ca -0.46 0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 3ksc h LEU 458 Cb 1.30 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 42.70 3ksc h LEU 458 CO 0.61 -0.22 0.12 -0.78 -0.34 0.00 0.00 178.44 177.83 3ksc h ASP 459 N -0.04 0.91 0.25 1.25 3.58 -1.98 -1.03 116.42 119.36 3ksc h ASP 459 Ca 0.27 -0.25 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 3ksc h ASP 459 Cb 0.45 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 3ksc h ASP 459 CO -0.60 0.93 -0.29 -0.37 -2.88 0.00 0.00 179.24 176.02 3ksc h VAL 460 N 0.86 1.23 -0.65 2.25 -1.51 -1.81 0.13 116.25 116.75 3ksc h VAL 460 Ca 0.18 -1.08 0.01 0.00 -1.23 0.00 0.00 66.70 64.57 3ksc h VAL 460 Cb 0.39 1.52 -0.03 0.00 -2.13 0.00 0.00 31.29 31.04 3ksc h VAL 460 CO 0.01 0.32 0.43 0.58 -1.23 0.00 0.00 177.57 177.67 3ksc h VAL 461 N 0.07 1.17 -0.36 7.19 2.07 -0.55 0.20 116.25 126.04 3ksc h VAL 461 Ca 0.01 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 3ksc h VAL 461 Cb 0.56 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3ksc h VAL 461 CO 0.04 0.17 0.07 0.00 0.02 0.00 0.00 177.57 177.86 3ksc h ALA 462 N 1.23 0.48 0.00 1.67 0.00 0.04 -2.38 119.26 120.30 3ksc h ALA 462 Ca 0.24 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3ksc h ALA 462 Cb -0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3ksc h ALA 462 CO -0.05 0.18 -0.20 0.00 0.00 0.00 0.00 179.25 179.18 3ksc h ALA 463 N 0.92 0.94 -0.01 0.00 0.00 -0.62 0.76 119.26 121.24 3ksc h ALA 463 Ca 0.11 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3ksc h ALA 463 Cb 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3ksc h ALA 463 CO 0.01 0.25 -0.19 1.15 0.00 0.00 0.00 179.25 180.47 3ksc h THR 464 N 0.00 1.54 -0.04 0.00 2.02 -0.42 -3.34 112.91 112.67 3ksc h THR 464 Ca -0.00 -1.85 0.00 0.00 0.77 0.00 0.00 66.41 65.33 3ksc h THR 464 Cb 0.90 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 70.02 3ksc h THR 464 CO 0.03 0.50 0.00 0.49 0.37 0.00 0.00 175.52 176.91 3ksc n PHE 465 N -4.56 0.02 -3.06 3.16 3.72 -0.91 -4.99 117.46 110.83 3ksc n PHE 465 Ca -0.09 -0.01 -0.13 0.00 -0.05 0.00 0.00 57.45 57.16 3ksc n PHE 465 Cb 0.46 -0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.06 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 1.22 -6.10 -4.34 4.37 5.15 0.15 -5.04 115.26 110.67 3ksc n ASN 466 Ca 0.13 -0.63 -0.27 0.00 -0.60 0.00 0.00 54.58 53.20 3ksc n ASN 466 Cb 0.54 -4.70 -0.13 0.00 -0.53 0.00 0.00 39.78 34.96 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 -5.13 2.27 0.93 1.20 1.43 -0.56 -5.04 118.68 113.77 3ksc s LEU 467 Ca 0.40 -0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 52.72 3ksc s LEU 467 Cb -0.05 -1.11 0.15 0.00 0.03 0.00 0.00 46.19 45.21 3ksc s LEU 467 CO 0.66 0.16 1.14 -1.10 0.23 0.00 0.00 176.35 177.44 3ksc s GLN 468 N -1.78 0.90 0.18 1.70 -0.21 -1.26 -4.62 119.66 114.57 3ksc s GLN 468 Ca 0.11 1.52 -0.13 0.00 0.02 0.00 0.00 55.36 56.88 3ksc s GLN 468 Cb -0.10 -1.72 0.16 0.00 1.00 0.00 0.00 33.01 32.35 3ksc s GLN 468 CO 0.04 -2.71 1.75 0.00 -2.12 0.00 0.00 175.29 172.26 3ksc h ARG 469 N -1.93 0.35 -0.75 2.91 3.08 -1.96 -1.75 114.38 114.33 3ksc h ARG 469 Ca -0.44 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 59.69 3ksc h ARG 469 Cb 1.27 -0.08 -0.08 0.00 0.08 0.00 0.00 29.97 31.17 3ksc h ARG 469 CO 0.42 0.23 0.38 -2.95 -1.07 0.00 0.00 179.97 176.98 3ksc h ASN 470 N 0.36 0.49 -0.13 7.04 -1.07 -2.01 -1.34 115.58 118.92 3ksc h ASN 470 Ca 0.23 0.07 -0.10 0.00 0.07 0.00 0.00 56.30 56.57 3ksc h ASN 470 Cb 0.23 -0.02 -0.01 0.00 -2.07 0.00 0.00 38.32 36.45 3ksc h ASN 470 CO -0.23 0.27 -0.22 -0.33 0.07 0.00 0.00 177.43 176.99 3ksc h GLU 471 N 0.62 0.55 -0.62 4.14 5.08 -1.75 -2.59 114.58 120.01 3ksc h GLU 471 Ca 0.37 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3ksc h GLU 471 Cb 0.42 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3ksc h GLU 471 CO -0.29 0.74 0.33 0.00 -1.00 0.00 0.00 179.01 178.79 3ksc h ALA 472 N 1.27 0.80 -0.76 3.43 0.00 -0.42 -0.01 119.26 123.57 3ksc h ALA 472 Ca 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3ksc h ALA 472 Cb 0.65 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3ksc h ALA 472 CO 0.05 0.33 0.44 0.00 0.00 0.00 0.00 179.25 180.06 3ksc h ARG 473 N 0.85 1.04 0.17 0.00 3.08 -1.16 -1.11 114.38 117.25 3ksc h ARG 473 Ca 0.22 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 60.17 3ksc h ARG 473 Cb 0.06 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 3ksc h ARG 473 CO -0.03 0.75 -0.29 1.96 -1.07 0.00 0.00 179.97 181.29 3ksc h GLN 474 N 1.04 -0.52 -0.98 0.04 4.20 -1.05 0.18 115.11 118.02 3ksc h GLN 474 Ca 0.27 0.04 0.19 0.00 0.06 0.00 0.00 58.65 59.20 3ksc h GLN 474 Cb -0.00 0.12 -0.09 0.00 0.30 0.00 0.00 27.48 27.80 3ksc h GLN 474 CO -0.05 -0.35 0.61 1.25 -0.67 0.00 0.00 178.83 179.63 3ksc h LEU 475 N -0.54 0.69 -0.01 1.46 5.85 -0.62 -0.76 115.31 121.38 3ksc h LEU 475 Ca 0.02 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3ksc h LEU 475 Cb 0.54 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3ksc h LEU 475 CO -0.13 0.27 -0.04 0.11 -0.34 0.00 0.00 178.44 178.31 3ksc h LYS 476 N 0.68 0.04 0.00 1.25 1.57 -0.54 -3.42 116.57 116.15 3ksc h LYS 476 Ca 0.54 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 3ksc h LYS 476 Cb 0.94 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.26 3ksc h LYS 476 CO -0.31 0.67 -0.43 0.43 -0.57 0.00 0.00 179.45 179.24 3ksc n SER 477 N -4.74 0.80 0.25 0.86 7.64 0.56 -4.55 113.62 114.44 3ksc n SER 477 Ca -0.09 -0.54 0.14 0.00 1.01 0.00 0.00 58.87 59.40 3ksc n SER 477 Cb 0.34 1.04 0.82 0.00 -1.01 0.00 0.00 64.21 65.40 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 -3.62 6.43 4.21 -1.32 -3.36 115.58 117.93 3ksc h ASN 478 Ca 0.00 0.00 -0.69 0.00 1.21 0.00 0.00 56.30 56.82 3ksc h ASN 478 Cb 0.16 0.00 -0.23 0.00 -1.12 0.00 0.00 38.32 37.12 3ksc h ASN 478 CO 0.00 0.00 -0.53 0.21 -1.29 0.00 0.00 177.43 175.82 3ksc s ASN 479 N -6.30 5.67 0.00 5.81 3.84 -1.26 -4.97 114.94 117.73 3ksc s ASN 479 Ca -0.05 -0.78 0.27 0.00 0.21 0.00 0.00 52.86 52.51 3ksc s ASN 479 Cb 0.16 -2.02 0.93 0.00 -0.55 0.00 0.00 41.25 39.77 3ksc s ASN 479 CO 0.59 -0.30 1.67 -2.65 -2.79 0.00 0.00 177.10 173.62 3ksc n PRO 480 N 5.00 1.13 -3.86 0.43 -0.02 -1.26 -4.13 135.00 132.28 3ksc n PRO 480 Ca -0.13 -0.63 -0.28 0.00 -2.02 0.00 0.00 63.50 60.44 3ksc n PRO 480 Cb 0.47 -1.49 -0.03 0.00 -0.02 0.00 0.00 33.50 32.43 3ksc n PRO 480 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3ksc s PHE 481 N -2.30 3.49 -0.01 6.00 0.08 -1.26 -4.68 117.98 119.30 3ksc s PHE 481 Ca 0.30 0.24 -0.03 0.00 0.12 0.00 0.00 56.93 57.56 3ksc s PHE 481 Cb 0.20 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.87 3ksc s PHE 481 CO 0.44 0.50 0.39 0.87 -0.10 0.00 0.00 175.22 177.32 3ksc h LYS 482 N 2.47 -0.11 0.00 0.44 1.57 -1.91 0.60 116.57 119.62 3ksc h LYS 482 Ca -0.47 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3ksc h LYS 482 Cb 1.18 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3ksc h LYS 482 CO 0.71 -0.07 -0.90 0.34 -0.57 0.00 0.00 179.45 178.96 3ksc n PHE 483 N -2.77 0.00 -4.11 -1.35 7.35 -1.26 -3.72 117.46 111.60 3ksc n PHE 483 Ca -0.01 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.33 3ksc n PHE 483 Cb 0.05 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.80 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 -3.86 3.96 -0.12 -2.13 1.02 -1.26 -1.17 118.68 115.12 3ksc s LEU 484 Ca 0.00 0.23 0.00 0.00 0.02 0.00 0.00 54.13 54.38 3ksc s LEU 484 Cb 0.00 -2.14 0.02 0.00 0.02 0.00 0.00 46.19 44.09 3ksc s LEU 484 CO 0.00 0.33 -0.10 0.54 0.02 0.00 0.00 176.35 177.13 3ksc s VAL 485 N -1.09 1.22 0.70 -1.59 0.11 0.42 -4.72 120.40 115.44 3ksc s VAL 485 Ca 0.19 -0.42 -0.17 0.00 -2.93 0.00 0.00 61.98 58.65 3ksc s VAL 485 Cb -0.12 -1.19 0.02 0.00 -1.53 0.00 0.00 36.38 33.56 3ksc s VAL 485 CO 0.09 0.40 1.27 -2.84 -3.33 0.00 0.00 175.10 170.69 3ksc s PRO 486 N 1.52 2.27 1.04 1.54 0.02 -1.26 -1.32 135.00 138.81 3ksc s PRO 486 Ca 0.03 1.97 -0.12 0.00 0.02 0.00 0.00 61.00 62.89 3ksc s PRO 486 Cb -0.13 -1.82 0.21 0.00 0.02 0.00 0.00 34.50 32.78 3ksc s PRO 486 CO -0.08 -1.78 1.07 0.00 -0.33 0.00 0.00 177.00 175.88 3ksc s ALA 487 N -1.63 0.58 0.54 -1.55 0.00 -1.23 -4.79 121.76 113.67 3ksc s ALA 487 Ca 0.80 -0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.63 3ksc s ALA 487 Cb -0.35 -3.19 0.04 0.00 0.00 0.00 0.00 23.12 19.62 3ksc s ALA 487 CO 0.43 -3.11 0.41 1.03 0.00 0.00 0.00 175.76 174.52 3ksc s ARG 488 N -4.77 2.27 0.00 0.00 3.00 -1.26 -4.99 118.95 113.20 3ksc s ARG 488 Ca 0.66 -1.97 0.08 0.00 0.00 0.00 0.00 55.73 54.49 3ksc s ARG 488 Cb -0.21 -2.13 0.46 0.00 0.00 0.00 0.00 34.95 33.06 3ksc s ARG 488 CO 0.60 -0.59 0.91 0.39 0.00 0.00 0.00 175.30 176.61