#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i9b s ASP 2 N 0.00 4.64 0.27 4.37 1.47 -1.26 -4.50 116.67 121.66 1i9b s ASP 2 Ca 0.00 -0.66 0.10 0.00 1.18 0.00 0.00 52.55 53.17 1i9b s ASP 2 Cb 0.00 -0.85 0.87 0.00 -0.34 0.00 0.00 42.92 42.61 1i9b s ASP 2 CO 0.00 -0.08 1.24 0.54 0.68 0.00 0.00 175.17 177.55 1i9b n ARG 3 N -0.98 -0.05 -0.05 2.11 1.74 -1.26 0.81 116.66 118.98 1i9b n ARG 3 Ca -0.06 1.13 -0.09 0.00 -0.77 0.00 0.00 57.85 58.06 1i9b n ARG 3 Cb 0.60 -1.92 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 1i9b n ARG 3 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1i9b h ALA 4 N 1.58 0.24 -0.63 7.54 0.00 -1.99 0.23 119.26 126.23 1i9b h ALA 4 Ca 0.59 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.47 1i9b h ALA 4 Cb 1.45 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1i9b h ALA 4 CO -0.66 -0.32 0.21 -0.44 0.00 0.00 0.00 179.25 178.04 1i9b h ASP 5 N 0.21 0.88 0.31 0.00 3.32 0.02 0.30 116.42 121.46 1i9b h ASP 5 Ca 0.09 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 1i9b h ASP 5 Cb 0.03 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.36 1i9b h ASP 5 CO -0.07 0.82 -0.15 0.40 -1.72 0.00 0.00 179.24 178.52 1i9b h ILE 6 N 0.93 0.70 -0.68 0.35 2.04 -0.47 -2.01 117.51 118.37 1i9b h ILE 6 Ca 0.21 -0.54 0.01 0.00 1.00 0.00 0.00 64.86 65.54 1i9b h ILE 6 Cb 0.24 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 1i9b h ILE 6 CO -0.01 0.11 0.45 -0.07 0.00 0.00 0.00 178.15 178.62 1i9b h LEU 7 N -0.72 0.76 -0.99 1.44 3.38 -0.51 -2.31 115.31 116.35 1i9b h LEU 7 Ca -0.04 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.01 1i9b h LEU 7 Cb 0.49 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.98 1i9b h LEU 7 CO 0.07 0.55 0.63 0.22 0.09 0.00 0.00 178.44 180.00 1i9b h TYR 8 N 0.90 1.15 0.24 1.13 3.20 -0.90 0.03 116.97 122.74 1i9b h TYR 8 Ca 0.26 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 1i9b h TYR 8 Cb -0.08 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 37.83 1i9b h TYR 8 CO -0.03 0.52 -0.12 -0.91 -1.64 0.00 0.00 178.16 175.98 1i9b h ASN 9 N 1.06 -0.28 -0.78 -2.11 4.21 -0.86 -1.39 115.58 115.44 1i9b h ASN 9 Ca 0.46 -0.23 0.13 0.00 1.21 0.00 0.00 56.30 57.87 1i9b h ASN 9 Cb 0.33 0.07 -0.09 0.00 -1.12 0.00 0.00 38.32 37.52 1i9b h ASN 9 CO -0.22 0.13 0.37 0.40 -1.29 0.00 0.00 177.43 176.81 1i9b h ILE 10 N -0.74 0.74 -0.35 2.81 2.04 -1.18 0.89 117.51 121.73 1i9b h ILE 10 Ca -0.03 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1i9b h ILE 10 Cb 0.49 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1i9b h ILE 10 CO 0.06 0.10 0.12 -0.09 0.00 0.00 0.00 178.15 178.34 1i9b h ARG 11 N 0.56 0.53 0.00 2.37 2.43 -0.97 0.22 114.38 119.51 1i9b h ARG 11 Ca 0.41 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.41 1i9b h ARG 11 Cb 0.56 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1i9b h ARG 11 CO -0.35 0.54 -0.32 0.37 -1.51 0.00 0.00 179.97 178.70 1i9b h GLN 12 N 0.41 0.00 0.00 0.20 5.75 -0.28 -3.34 115.11 117.84 1i9b h GLN 12 Ca 0.11 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.58 1i9b h GLN 12 Cb 0.22 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 1i9b h GLN 12 CO -0.01 0.32 -1.53 0.25 -2.65 0.00 0.00 178.83 175.21 1i9b n THR 13 N -3.40 0.13 -1.36 2.39 -2.24 0.22 -5.04 114.28 104.97 1i9b n THR 13 Ca 0.00 -0.28 -0.32 0.00 -2.27 0.00 0.00 64.05 61.18 1i9b n THR 13 Cb 0.51 0.07 0.09 0.00 -2.10 0.00 0.00 70.33 68.90 1i9b n THR 13 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1i9b s SER 14 N -3.43 4.36 -0.33 3.42 0.15 0.77 -5.04 113.70 113.60 1i9b s SER 14 Ca -0.04 2.06 -0.01 0.00 0.70 0.00 0.00 55.95 58.66 1i9b s SER 14 Cb 0.06 -2.55 0.13 0.00 -1.71 0.00 0.00 66.02 61.94 1i9b s SER 14 CO 0.44 -2.14 0.18 -0.13 1.20 0.00 0.00 173.24 172.79 1i9b s ARG 15 N -4.38 0.42 0.66 5.44 0.52 -1.26 -4.99 118.95 115.37 1i9b s ARG 15 Ca 0.67 -1.05 0.36 0.00 -0.52 0.00 0.00 55.73 55.19 1i9b s ARG 15 Cb -0.22 -1.25 1.97 0.00 0.52 0.00 0.00 34.95 35.97 1i9b s ARG 15 CO 0.49 -1.14 2.13 -1.35 0.02 0.00 0.00 175.30 175.45 1i9b h PRO 16 N 7.50 0.00 -0.04 3.54 0.11 -1.81 -1.73 132.00 139.58 1i9b h PRO 16 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1i9b h PRO 16 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1i9b h PRO 16 CO 0.32 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.86 1i9b n ASP 17 N -3.05 1.46 -4.13 -2.05 8.00 -1.26 -4.16 116.55 111.35 1i9b n ASP 17 Ca -0.02 -1.51 -0.33 0.00 0.71 0.00 0.00 54.79 53.64 1i9b n ASP 17 Cb 0.25 -0.02 -0.15 0.00 -0.02 0.00 0.00 41.12 41.18 1i9b n ASP 17 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1i9b s VAL 18 N -1.97 2.33 0.13 2.53 1.01 -0.65 -5.09 120.40 118.68 1i9b s VAL 18 Ca 0.37 -1.10 -0.31 0.00 0.00 0.00 0.00 61.98 60.94 1i9b s VAL 18 Cb 0.20 -2.12 -0.09 0.00 0.00 0.00 0.00 36.38 34.37 1i9b s VAL 18 CO 0.32 0.33 1.62 -0.51 0.00 0.00 0.00 175.10 176.86 1i9b s ILE 19 N 1.26 2.76 0.00 2.22 2.07 -1.26 -4.82 121.20 123.43 1i9b s ILE 19 Ca 0.01 0.43 -0.02 0.00 -1.41 0.00 0.00 60.65 59.66 1i9b s ILE 19 Cb -0.15 -3.28 -0.09 0.00 0.13 0.00 0.00 42.46 39.07 1i9b s ILE 19 CO -0.09 0.02 1.52 -2.65 -1.91 0.00 0.00 174.94 171.83 1i9b n PRO 20 N 4.67 0.69 -2.66 3.50 -0.02 -1.26 -4.90 135.00 135.01 1i9b n PRO 20 Ca 0.15 -0.31 -0.41 0.00 -2.02 0.00 0.00 63.50 60.91 1i9b n PRO 20 Cb 0.39 -1.63 -0.05 0.00 -0.02 0.00 0.00 33.50 32.20 1i9b n PRO 20 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1i9b s THR 21 N 2.11 4.20 -0.38 3.45 -1.32 -1.26 -4.87 115.64 117.56 1i9b s THR 21 Ca 0.21 1.92 -0.05 0.00 -1.21 0.00 0.00 61.69 62.56 1i9b s THR 21 Cb 0.10 -4.22 0.08 0.00 -1.51 0.00 0.00 72.50 66.95 1i9b s THR 21 CO 0.00 0.34 0.17 -1.10 -2.21 0.00 0.00 174.62 171.81 1i9b s GLN 22 N -0.36 2.32 3.09 7.08 -0.21 -1.24 -5.02 119.66 125.31 1i9b s GLN 22 Ca 0.47 -1.54 0.00 0.00 0.02 0.00 0.00 55.36 54.30 1i9b s GLN 22 Cb -0.26 -3.54 0.00 0.00 1.00 0.00 0.00 33.01 30.21 1i9b s GLN 22 CO 0.32 -0.90 0.00 0.54 -2.12 0.00 0.00 175.29 173.13 1i9b n ARG 23 N 4.71 0.00 0.00 2.91 3.00 -1.26 -2.05 116.66 123.97 1i9b n ARG 23 Ca -0.08 0.00 0.08 0.00 -0.01 0.00 0.00 57.85 57.85 1i9b n ARG 23 Cb 0.42 0.00 0.50 0.00 0.00 0.00 0.00 32.46 33.38 1i9b n ARG 23 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1i9b n ASP 24 N -2.28 0.00 -4.72 0.55 8.00 -1.26 -4.75 116.55 112.09 1i9b n ASP 24 Ca 0.00 -0.49 -0.42 0.00 0.71 0.00 0.00 54.79 54.59 1i9b n ASP 24 Cb 0.00 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 1i9b n ASP 24 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1i9b s ARG 25 N -2.04 4.32 0.90 -1.24 0.52 -0.87 -4.81 118.95 115.73 1i9b s ARG 25 Ca 0.25 2.07 -0.12 0.00 -0.52 0.00 0.00 55.73 57.41 1i9b s ARG 25 Cb 0.12 -3.25 0.13 0.00 0.52 0.00 0.00 34.95 32.47 1i9b s ARG 25 CO 0.20 -0.43 1.11 -2.14 0.02 0.00 0.00 175.30 174.06 1i9b s PRO 26 N 1.10 1.25 -0.16 3.54 0.02 -1.20 -3.69 135.00 135.85 1i9b s PRO 26 Ca 0.64 0.47 -0.18 0.00 0.02 0.00 0.00 61.00 61.95 1i9b s PRO 26 Cb -0.37 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.28 1i9b s PRO 26 CO 0.30 -2.16 0.48 0.08 -0.33 0.00 0.00 177.00 175.37 1i9b s VAL 27 N -3.16 5.16 -0.55 3.83 1.01 0.23 -4.79 120.40 122.13 1i9b s VAL 27 Ca 0.63 0.91 -0.24 0.00 0.00 0.00 0.00 61.98 63.28 1i9b s VAL 27 Cb -0.16 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.45 1i9b s VAL 27 CO 0.55 0.26 0.94 0.00 0.00 0.00 0.00 175.10 176.84 1i9b s ALA 28 N 1.12 3.16 -0.18 5.51 0.00 -1.26 -1.87 121.76 128.24 1i9b s ALA 28 Ca 0.24 -1.26 -0.04 0.00 0.00 0.00 0.00 51.96 50.89 1i9b s ALA 28 Cb -0.15 -3.73 -0.03 0.00 0.00 0.00 0.00 23.12 19.21 1i9b s ALA 28 CO 0.10 -2.39 -0.01 0.08 0.00 0.00 0.00 175.76 173.53 1i9b s VAL 29 N 3.93 3.96 -0.13 0.00 1.01 -0.31 -4.31 120.40 124.55 1i9b s VAL 29 Ca 0.30 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 1i9b s VAL 29 Cb -0.13 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 1i9b s VAL 29 CO 0.19 0.46 -0.04 -0.94 0.00 0.00 0.00 175.10 174.77 1i9b s SER 30 N 0.67 4.83 0.03 3.32 1.04 -0.13 -1.57 113.70 121.89 1i9b s SER 30 Ca -0.01 -0.07 0.08 0.00 0.48 0.00 0.00 55.95 56.42 1i9b s SER 30 Cb -0.14 -1.64 -0.03 0.00 0.10 0.00 0.00 66.02 64.31 1i9b s SER 30 CO 0.02 0.23 -0.21 -0.69 0.98 0.00 0.00 173.24 173.57 1i9b s VAL 31 N -0.01 2.53 -0.26 5.02 1.01 -0.82 -1.40 120.40 126.47 1i9b s VAL 31 Ca 0.01 -1.22 -0.04 0.00 0.00 0.00 0.00 61.98 60.73 1i9b s VAL 31 Cb -0.13 -2.02 0.15 0.00 0.00 0.00 0.00 36.38 34.37 1i9b s VAL 31 CO 0.03 0.38 0.49 -0.55 0.00 0.00 0.00 175.10 175.44 1i9b s SER 32 N -1.27 -0.54 0.02 3.32 0.15 -0.41 -4.07 113.70 110.89 1i9b s SER 32 Ca 0.13 0.71 -0.20 0.00 0.70 0.00 0.00 55.95 57.29 1i9b s SER 32 Cb -0.10 1.64 -0.06 0.00 -1.71 0.00 0.00 66.02 65.79 1i9b s SER 32 CO 0.03 -0.27 0.58 -0.76 1.20 0.00 0.00 173.24 174.03 1i9b s LEU 33 N 2.70 4.45 -0.26 3.45 1.43 -1.26 -1.54 118.68 127.64 1i9b s LEU 33 Ca 0.11 1.18 0.02 0.00 -1.03 0.00 0.00 54.13 54.41 1i9b s LEU 33 Cb -0.14 -2.90 0.07 0.00 0.03 0.00 0.00 46.19 43.24 1i9b s LEU 33 CO -0.17 0.16 -0.04 -0.54 0.23 0.00 0.00 176.35 175.98 1i9b s LYS 34 N -0.48 1.73 0.12 1.70 -0.14 -0.88 -4.93 119.74 116.86 1i9b s LYS 34 Ca 0.30 -1.25 -0.31 0.00 -1.36 0.00 0.00 55.97 53.35 1i9b s LYS 34 Cb -0.19 -2.74 -0.07 0.00 -1.68 0.00 0.00 37.83 33.15 1i9b s LYS 34 CO 0.18 -0.67 1.31 -0.06 -0.76 0.00 0.00 175.35 175.35 1i9b s PHE 35 N 1.24 3.31 -0.15 3.18 0.40 -1.26 -0.97 117.98 123.73 1i9b s PHE 35 Ca -0.03 1.11 0.12 0.00 -0.60 0.00 0.00 56.93 57.53 1i9b s PHE 35 Cb -0.19 -3.59 -0.18 0.00 0.51 0.00 0.00 43.02 39.58 1i9b s PHE 35 CO -0.07 -1.94 0.03 -0.89 0.70 0.00 0.00 175.22 173.05 1i9b n ILE 36 N 3.67 1.02 -3.54 0.64 2.08 -0.52 -3.36 119.36 119.34 1i9b n ILE 36 Ca 0.10 -0.61 -0.09 0.00 0.56 0.00 0.00 62.75 62.70 1i9b n ILE 36 Cb 0.44 -0.65 -0.04 0.00 -0.75 0.00 0.00 39.64 38.64 1i9b n ILE 36 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1i9b s ASN 37 N -4.89 -0.36 -0.22 4.38 3.84 -1.04 -0.22 114.94 116.44 1i9b s ASN 37 Ca -0.09 0.21 0.01 0.00 0.21 0.00 0.00 52.86 53.20 1i9b s ASN 37 Cb 0.05 0.34 0.05 0.00 -0.55 0.00 0.00 41.25 41.13 1i9b s ASN 37 CO 0.59 -0.47 -0.08 -0.63 -2.79 0.00 0.00 177.10 173.73 1i9b s ILE 38 N -2.09 1.59 -0.19 -5.21 1.01 -1.26 -0.63 121.20 114.41 1i9b s ILE 38 Ca 0.02 -1.14 -0.10 0.00 0.00 0.00 0.00 60.65 59.43 1i9b s ILE 38 Cb -0.01 -1.77 -0.21 0.00 0.01 0.00 0.00 42.46 40.49 1i9b s ILE 38 CO -0.03 0.02 0.11 0.18 0.00 0.00 0.00 174.94 175.21 1i9b n LEU 39 N 4.67 2.40 -3.86 2.97 4.77 0.10 -4.50 117.00 123.56 1i9b n LEU 39 Ca -0.13 0.22 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 1i9b n LEU 39 Cb 0.45 -1.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.40 1i9b n LEU 39 CO 0.19 0.68 -0.36 -1.61 -1.33 0.00 0.00 177.39 174.95 1i9b s GLU 40 N -2.49 0.07 0.03 3.23 2.02 -1.09 -4.98 118.70 115.50 1i9b s GLU 40 Ca -0.29 0.02 0.04 0.00 0.02 0.00 0.00 54.97 54.76 1i9b s GLU 40 Cb 0.08 -0.14 -0.02 0.00 0.10 0.00 0.00 34.13 34.15 1i9b s GLU 40 CO 0.65 -0.03 -0.12 0.08 0.02 0.00 0.00 175.26 175.86 1i9b s VAL 41 N 0.26 0.93 -0.27 2.63 1.01 -1.26 -1.09 120.40 122.61 1i9b s VAL 41 Ca -0.02 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 1i9b s VAL 41 Cb -0.04 -0.85 0.11 0.00 0.00 0.00 0.00 36.38 35.60 1i9b s VAL 41 CO -0.01 -0.01 0.19 0.21 0.00 0.00 0.00 175.10 175.48 1i9b s ASN 42 N -0.98 2.59 0.46 3.32 3.84 -1.07 -5.00 114.94 118.09 1i9b s ASN 42 Ca 0.00 -0.93 0.25 0.00 0.21 0.00 0.00 52.86 52.40 1i9b s ASN 42 Cb -0.07 0.01 0.97 0.00 -0.55 0.00 0.00 41.25 41.61 1i9b s ASN 42 CO 0.01 -0.40 1.84 -0.08 -2.79 0.00 0.00 177.10 175.68 1i9b h GLU 43 N 8.36 0.00 -0.21 0.43 4.81 -1.89 0.36 114.58 126.43 1i9b h GLU 43 Ca -0.17 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.96 1i9b h GLU 43 Cb 1.06 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1i9b h GLU 43 CO 0.37 0.19 -0.26 0.82 -0.73 0.00 0.00 179.01 179.40 1i9b h ILE 44 N 0.00 1.33 -0.01 2.32 1.08 -1.97 -3.30 117.51 116.96 1i9b h ILE 44 Ca -0.00 -1.45 0.00 0.00 -0.39 0.00 0.00 64.86 63.02 1i9b h ILE 44 Cb 0.72 1.77 0.00 0.00 -3.07 0.00 0.00 36.82 36.24 1i9b h ILE 44 CO 0.02 0.44 -0.70 0.35 -0.69 0.00 0.00 178.15 177.58 1i9b n THR 45 N -4.37 0.00 -3.48 -0.27 -2.24 -1.15 -5.00 114.28 97.76 1i9b n THR 45 Ca -0.05 -0.11 -0.20 0.00 -2.27 0.00 0.00 64.05 61.42 1i9b n THR 45 Cb 0.45 1.00 0.06 0.00 -2.10 0.00 0.00 70.33 69.73 1i9b n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1i9b n ASN 46 N -0.85 -3.90 -4.03 3.42 5.03 0.12 -4.93 115.26 110.13 1i9b n ASN 46 Ca 0.07 -0.77 -0.21 0.00 0.87 0.00 0.00 54.58 54.54 1i9b n ASN 46 Cb 0.39 -4.58 -0.15 0.00 -1.02 0.00 0.00 39.78 34.41 1i9b n ASN 46 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1i9b s GLU 47 N -5.30 1.07 0.02 3.52 2.02 -1.09 -2.45 118.70 116.48 1i9b s GLU 47 Ca 0.23 -0.36 0.07 0.00 0.02 0.00 0.00 54.97 54.94 1i9b s GLU 47 Cb -0.05 -0.99 -0.02 0.00 0.10 0.00 0.00 34.13 33.17 1i9b s GLU 47 CO 0.78 0.14 -0.21 0.08 0.02 0.00 0.00 175.26 176.08 1i9b s VAL 48 N 0.13 1.64 -0.31 2.63 1.01 -0.11 -2.59 120.40 122.80 1i9b s VAL 48 Ca -0.02 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.92 1i9b s VAL 48 Cb -0.09 -1.40 0.07 0.00 0.00 0.00 0.00 36.38 34.97 1i9b s VAL 48 CO 0.01 0.32 0.00 -0.62 0.00 0.00 0.00 175.10 174.81 1i9b s ASP 49 N -0.85 4.78 0.15 3.32 -1.08 -0.25 -0.36 116.67 122.38 1i9b s ASP 49 Ca 0.08 -1.60 0.06 0.00 -0.52 0.00 0.00 52.55 50.56 1i9b s ASP 49 Cb -0.08 -1.66 -0.04 0.00 -1.46 0.00 0.00 42.92 39.67 1i9b s ASP 49 CO 0.01 -0.30 -0.13 0.54 0.52 0.00 0.00 175.17 175.80 1i9b s VAL 50 N 1.12 1.41 -0.04 1.11 0.11 -0.92 0.02 120.40 123.20 1i9b s VAL 50 Ca -0.01 -1.98 0.06 0.00 -2.93 0.00 0.00 61.98 57.13 1i9b s VAL 50 Cb -0.20 -1.79 -0.02 0.00 -1.53 0.00 0.00 36.38 32.84 1i9b s VAL 50 CO -0.04 -0.57 -0.23 -0.69 -3.33 0.00 0.00 175.10 170.23 1i9b s VAL 51 N -2.75 2.26 0.22 2.04 1.01 0.19 -0.99 120.40 122.38 1i9b s VAL 51 Ca 0.15 -1.02 -0.22 0.00 0.00 0.00 0.00 61.98 60.90 1i9b s VAL 51 Cb -0.01 -1.82 0.04 0.00 0.00 0.00 0.00 36.38 34.59 1i9b s VAL 51 CO 0.03 0.58 0.66 0.72 0.00 0.00 0.00 175.10 177.09 1i9b s PHE 52 N -0.49 -0.36 -0.36 5.22 -0.12 -0.01 -1.44 117.98 120.42 1i9b s PHE 52 Ca 0.06 0.02 -0.13 0.00 -0.05 0.00 0.00 56.93 56.83 1i9b s PHE 52 Cb -0.11 0.64 -0.01 0.00 -0.63 0.00 0.00 43.02 42.91 1i9b s PHE 52 CO 0.01 -1.05 0.24 -1.58 -0.05 0.00 0.00 175.22 172.79 1i9b s TRP 53 N -3.84 3.23 -1.33 3.49 0.51 -0.14 0.05 118.94 120.92 1i9b s TRP 53 Ca 0.06 -0.37 -0.12 0.00 -2.12 0.00 0.00 56.10 53.55 1i9b s TRP 53 Cb -0.04 -2.49 0.12 0.00 -0.81 0.00 0.00 33.47 30.26 1i9b s TRP 53 CO -0.03 -0.44 1.92 0.94 -0.51 0.00 0.00 176.95 178.84 1i9b n GLN 54 N 5.10 3.33 -1.68 4.98 7.27 -0.69 -2.06 117.38 133.63 1i9b n GLN 54 Ca -0.12 -3.27 -0.40 0.00 0.07 0.00 0.00 57.00 53.28 1i9b n GLN 54 Cb 0.49 -3.09 -0.03 0.00 2.41 0.00 0.00 30.24 30.02 1i9b n GLN 54 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1i9b s GLN 55 N 1.65 2.72 0.07 3.69 0.74 -0.59 -4.14 119.66 123.80 1i9b s GLN 55 Ca 0.43 1.59 0.08 0.00 0.05 0.00 0.00 55.36 57.50 1i9b s GLN 55 Cb 0.09 -4.43 -0.04 0.00 1.10 0.00 0.00 33.01 29.73 1i9b s GLN 55 CO -0.02 -2.58 -0.16 0.99 -0.55 0.00 0.00 175.29 172.97 1i9b s THR 56 N 9.69 2.92 -0.12 -0.34 2.01 0.20 -1.29 115.64 128.71 1i9b s THR 56 Ca 0.94 -1.28 -0.11 0.00 0.31 0.00 0.00 61.69 61.54 1i9b s THR 56 Cb -0.24 -2.29 0.03 0.00 0.01 0.00 0.00 72.50 70.02 1i9b s THR 56 CO 0.30 0.23 0.32 -0.89 -0.69 0.00 0.00 174.62 173.90 1i9b s THR 57 N -1.04 0.00 0.37 -0.82 2.01 -0.50 -1.58 115.64 114.08 1i9b s THR 57 Ca 0.17 -0.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.99 1i9b s THR 57 Cb -0.11 -0.46 0.06 0.00 0.01 0.00 0.00 72.50 72.00 1i9b s THR 57 CO 0.08 -0.01 0.81 -1.66 -0.69 0.00 0.00 174.62 173.15 1i9b s TRP 58 N 0.14 0.11 -0.06 4.92 -2.14 -0.91 -0.96 118.94 120.05 1i9b s TRP 58 Ca -0.00 -0.77 0.04 0.00 2.66 0.00 0.00 56.10 58.03 1i9b s TRP 58 Cb -0.02 0.83 0.00 0.00 -3.10 0.00 0.00 33.47 31.18 1i9b s TRP 58 CO 0.01 -1.52 -0.17 0.45 -2.66 0.00 0.00 176.95 173.06 1i9b s SER 59 N -3.09 2.19 -0.35 -2.66 0.15 -1.26 -0.53 113.70 108.15 1i9b s SER 59 Ca 0.16 -0.37 -0.00 0.00 0.70 0.00 0.00 55.95 56.44 1i9b s SER 59 Cb -0.05 -0.76 0.11 0.00 -1.71 0.00 0.00 66.02 63.62 1i9b s SER 59 CO 0.11 0.13 0.15 -0.62 1.20 0.00 0.00 173.24 174.20 1i9b s ASP 60 N 0.23 3.81 0.63 5.45 -1.08 0.30 -4.86 116.67 121.13 1i9b s ASP 60 Ca -0.08 -1.92 0.41 0.00 -0.52 0.00 0.00 52.55 50.44 1i9b s ASP 60 Cb -0.13 -0.83 2.07 0.00 -1.46 0.00 0.00 42.92 42.56 1i9b s ASP 60 CO 0.03 -0.37 2.24 0.03 0.52 0.00 0.00 175.17 177.63 1i9b h ARG 61 N 7.66 0.00 0.00 4.34 3.08 -1.84 -2.36 114.38 125.26 1i9b h ARG 61 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1i9b h ARG 61 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 1i9b h ARG 61 CO 0.45 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.60 1i9b n THR 62 N -3.09 0.48 0.87 2.04 -2.24 -1.26 -1.72 114.28 109.36 1i9b n THR 62 Ca -0.02 0.12 0.10 0.00 -2.27 0.00 0.00 64.05 61.98 1i9b n THR 62 Cb 0.15 -0.81 -0.13 0.00 -2.10 0.00 0.00 70.33 67.44 1i9b n THR 62 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1i9b n LEU 63 N -1.31 0.87 -4.78 3.22 4.77 -0.89 -4.97 117.00 113.92 1i9b n LEU 63 Ca 0.08 -0.44 -0.41 0.00 -0.03 0.00 0.00 56.01 55.22 1i9b n LEU 63 Cb 0.15 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1i9b n LEU 63 CO 0.14 0.22 1.09 0.00 -1.33 0.00 0.00 177.39 177.51 1i9b s ALA 64 N -3.06 3.52 -0.00 -1.18 0.00 -0.70 -4.64 121.76 115.70 1i9b s ALA 64 Ca 0.06 1.48 -0.03 0.00 0.00 0.00 0.00 51.96 53.47 1i9b s ALA 64 Cb 0.16 -3.57 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 1i9b s ALA 64 CO 0.87 -0.96 0.06 1.67 0.00 0.00 0.00 175.76 177.40 1i9b s TRP 65 N -1.14 0.07 0.35 0.00 -2.14 0.02 -4.95 118.94 111.17 1i9b s TRP 65 Ca 0.53 -0.15 -0.28 0.00 2.66 0.00 0.00 56.10 58.85 1i9b s TRP 65 Cb -0.44 -0.07 -0.10 0.00 -3.10 0.00 0.00 33.47 29.75 1i9b s TRP 65 CO 0.60 -0.17 1.34 1.21 -2.66 0.00 0.00 176.95 177.27 1i9b s ASN 66 N -0.93 6.61 -0.02 -2.66 3.04 -1.26 -4.70 114.94 115.01 1i9b s ASN 66 Ca -0.10 2.75 0.04 0.00 0.04 0.00 0.00 52.86 55.59 1i9b s ASN 66 Cb -0.06 -2.65 0.05 0.00 -1.54 0.00 0.00 41.25 37.05 1i9b s ASN 66 CO 0.00 -0.66 0.92 -1.54 -3.04 0.00 0.00 177.10 172.78 1i9b n SER 67 N 0.61 0.61 0.23 -4.21 3.41 -1.26 -4.79 113.62 108.22 1i9b n SER 67 Ca 0.01 -1.98 0.10 0.00 -0.26 0.00 0.00 58.87 56.74 1i9b n SER 67 Cb 0.42 -0.18 0.55 0.00 -0.26 0.00 0.00 64.21 64.73 1i9b n SER 67 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1i9b h SER 68 N 0.00 0.00 -1.69 4.04 4.64 -1.95 -2.34 113.55 116.25 1i9b h SER 68 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 1i9b h SER 68 Cb 1.16 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.91 1i9b h SER 68 CO 0.00 0.00 -0.96 1.41 -0.87 0.00 0.00 176.83 176.41 1i9b n HIS 69 N -2.39 -1.10 0.00 4.77 8.25 -1.26 -5.11 115.22 118.38 1i9b n HIS 69 Ca -0.01 -3.13 0.00 0.00 -0.26 0.00 0.00 57.72 54.32 1i9b n HIS 69 Cb 0.33 0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.58 1i9b n HIS 69 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1i9b n SER 70 N 1.74 0.00 -4.73 0.41 3.41 -0.88 -3.82 113.62 109.74 1i9b n SER 70 Ca 0.20 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.48 1i9b n SER 70 Cb 0.54 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.58 1i9b n SER 70 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1i9b s PRO 71 N -2.00 2.21 0.00 4.33 0.02 -1.26 -4.80 135.00 133.49 1i9b s PRO 71 Ca 0.00 1.62 0.23 0.00 0.02 0.00 0.00 61.00 62.86 1i9b s PRO 71 Cb 0.00 -1.86 0.33 0.00 0.02 0.00 0.00 34.50 33.00 1i9b s PRO 71 CO 0.00 -1.75 1.33 -0.25 -0.33 0.00 0.00 177.00 176.00 1i9b n ASP 72 N -2.82 3.26 -3.93 2.53 8.00 -1.26 -4.83 116.55 117.49 1i9b n ASP 72 Ca 0.12 -1.98 -0.10 0.00 0.71 0.00 0.00 54.79 53.55 1i9b n ASP 72 Cb 0.51 -0.16 -0.11 0.00 -0.02 0.00 0.00 41.12 41.34 1i9b n ASP 72 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1i9b s GLN 73 N -1.62 0.29 0.07 -1.24 -0.21 -1.26 0.18 119.66 115.87 1i9b s GLN 73 Ca 0.34 -0.42 -0.11 0.00 0.02 0.00 0.00 55.36 55.19 1i9b s GLN 73 Cb 0.21 0.11 0.01 0.00 1.00 0.00 0.00 33.01 34.34 1i9b s GLN 73 CO 0.30 -0.05 0.24 0.14 -2.12 0.00 0.00 175.29 173.80 1i9b s VAL 74 N -1.13 0.11 -0.27 1.09 -7.23 -0.79 -4.98 120.40 107.21 1i9b s VAL 74 Ca -0.12 -0.92 -0.14 0.00 -1.81 0.00 0.00 61.98 58.99 1i9b s VAL 74 Cb -0.07 -1.10 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 1i9b s VAL 74 CO -0.00 -0.51 0.35 -0.44 -0.31 0.00 0.00 175.10 174.19 1i9b s SER 75 N -2.43 6.22 -0.06 4.85 0.01 -1.26 -0.90 113.70 120.13 1i9b s SER 75 Ca -0.01 0.25 0.04 0.00 1.31 0.00 0.00 55.95 57.54 1i9b s SER 75 Cb 0.01 -2.20 -0.02 0.00 0.21 0.00 0.00 66.02 64.03 1i9b s SER 75 CO -0.07 -0.16 -0.17 -0.69 0.41 0.00 0.00 173.24 172.56 1i9b s VAL 76 N 2.00 2.80 0.38 3.43 1.01 0.20 -4.91 120.40 125.30 1i9b s VAL 76 Ca 0.14 -0.81 -0.27 0.00 0.00 0.00 0.00 61.98 61.04 1i9b s VAL 76 Cb -0.16 -2.09 -0.09 0.00 0.00 0.00 0.00 36.38 34.04 1i9b s VAL 76 CO 0.10 0.57 1.30 -2.84 0.00 0.00 0.00 175.10 174.23 1i9b s PRO 77 N -0.44 4.13 0.48 2.72 0.02 -1.26 0.15 135.00 140.81 1i9b s PRO 77 Ca 0.05 2.17 0.21 0.00 0.02 0.00 0.00 61.00 63.45 1i9b s PRO 77 Cb -0.12 -2.88 1.24 0.00 0.02 0.00 0.00 34.50 32.76 1i9b s PRO 77 CO 0.02 -0.36 1.95 0.82 -0.33 0.00 0.00 177.00 179.09 1i9b h ILE 78 N 2.69 0.74 0.00 2.83 1.08 -1.52 -1.06 117.51 122.27 1i9b h ILE 78 Ca -0.49 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 63.91 1i9b h ILE 78 Cb 1.24 0.53 0.00 0.00 -3.07 0.00 0.00 36.82 35.51 1i9b h ILE 78 CO 0.64 0.04 0.00 -1.54 -0.69 0.00 0.00 178.15 176.59 1i9b n SER 79 N -4.42 0.41 -0.97 1.72 3.41 -1.26 -2.56 113.62 109.95 1i9b n SER 79 Ca 0.13 0.60 0.11 0.00 -0.26 0.00 0.00 58.87 59.45 1i9b n SER 79 Cb 0.61 -0.69 0.14 0.00 -0.26 0.00 0.00 64.21 64.02 1i9b n SER 79 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1i9b n SER 80 N -1.95 3.07 -4.39 4.04 7.64 -0.40 -4.82 113.62 116.81 1i9b n SER 80 Ca 0.03 -1.93 -0.20 0.00 1.01 0.00 0.00 58.87 57.77 1i9b n SER 80 Cb 0.21 -0.11 -0.10 0.00 -1.01 0.00 0.00 64.21 63.20 1i9b n SER 80 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1i9b s LEU 81 N -1.62 2.50 0.20 -3.43 1.43 -1.06 -4.57 118.68 112.14 1i9b s LEU 81 Ca 0.31 -1.12 -0.24 0.00 -1.03 0.00 0.00 54.13 52.05 1i9b s LEU 81 Cb 0.20 -0.66 -0.08 0.00 0.03 0.00 0.00 46.19 45.68 1i9b s LEU 81 CO 0.28 -0.27 0.79 0.86 0.23 0.00 0.00 176.35 178.24 1i9b s TRP 82 N -2.99 3.81 0.02 0.29 -0.00 -1.26 -4.40 118.94 114.41 1i9b s TRP 82 Ca 0.27 1.60 0.03 0.00 -0.00 0.00 0.00 56.10 57.99 1i9b s TRP 82 Cb 0.02 -2.75 -0.01 0.00 -0.00 0.00 0.00 33.47 30.72 1i9b s TRP 82 CO 0.10 0.43 -0.08 0.08 -0.00 0.00 0.00 176.95 177.48 1i9b s VAL 83 N -1.31 0.62 0.21 5.86 1.01 -1.26 -5.02 120.40 120.51 1i9b s VAL 83 Ca 0.40 -0.62 -0.32 0.00 0.00 0.00 0.00 61.98 61.44 1i9b s VAL 83 Cb -0.21 -0.57 -0.13 0.00 0.00 0.00 0.00 36.38 35.47 1i9b s VAL 83 CO 0.25 -0.02 1.55 -2.65 0.00 0.00 0.00 175.10 174.23 1i9b n PRO 84 N 2.35 2.30 -1.42 2.72 -0.02 -1.26 -4.86 135.00 134.81 1i9b n PRO 84 Ca -0.17 0.82 -0.29 0.00 -2.02 0.00 0.00 63.50 61.85 1i9b n PRO 84 Cb 0.56 -2.57 -0.07 0.00 -0.02 0.00 0.00 33.50 31.40 1i9b n PRO 84 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1i9b n ASP 85 N 2.91 7.16 -4.77 2.55 5.75 -1.26 -4.95 116.55 123.94 1i9b n ASP 85 Ca 0.14 -2.81 -0.35 0.00 -0.01 0.00 0.00 54.79 51.76 1i9b n ASP 85 Cb 0.32 -1.41 0.02 0.00 -1.03 0.00 0.00 41.12 39.02 1i9b n ASP 85 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1i9b s LEU 86 N -0.90 3.63 -0.13 -2.12 1.43 -1.26 -1.47 118.68 117.85 1i9b s LEU 86 Ca 0.63 2.16 -0.13 0.00 -1.03 0.00 0.00 54.13 55.76 1i9b s LEU 86 Cb 0.26 -4.58 0.04 0.00 0.03 0.00 0.00 46.19 41.94 1i9b s LEU 86 CO -0.09 -1.41 0.37 0.00 0.23 0.00 0.00 176.35 175.45 1i9b s ALA 87 N -1.91 -0.91 -0.48 4.21 0.00 -0.72 -4.85 121.76 117.10 1i9b s ALA 87 Ca 0.72 1.02 -0.24 0.00 0.00 0.00 0.00 51.96 53.46 1i9b s ALA 87 Cb -0.24 -0.58 0.03 0.00 0.00 0.00 0.00 23.12 22.33 1i9b s ALA 87 CO 0.32 -0.18 0.84 0.00 0.00 0.00 0.00 175.76 176.74 1i9b s ALA 88 N 0.13 3.25 0.41 0.00 0.00 -1.26 -2.07 121.76 122.22 1i9b s ALA 88 Ca -0.01 -1.06 0.19 0.00 0.00 0.00 0.00 51.96 51.08 1i9b s ALA 88 Cb -0.03 -3.56 1.11 0.00 0.00 0.00 0.00 23.12 20.64 1i9b s ALA 88 CO 0.01 -2.07 1.79 1.88 0.00 0.00 0.00 175.76 177.37 1i9b h TYR 89 N 9.08 0.61 -0.45 0.00 0.05 -0.46 -1.20 116.97 124.59 1i9b h TYR 89 Ca -0.25 0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.44 1i9b h TYR 89 Cb 1.08 -0.18 -0.06 0.00 1.01 0.00 0.00 36.73 38.58 1i9b h TYR 89 CO 0.84 0.08 0.08 0.27 -1.05 0.00 0.00 178.16 178.38 1i9b n ASN 90 N -4.58 4.02 -4.74 3.88 6.94 -1.26 -4.97 115.26 114.55 1i9b n ASN 90 Ca 0.24 -3.23 -0.41 0.00 -0.02 0.00 0.00 54.58 51.15 1i9b n ASN 90 Cb 0.84 -0.64 -0.03 0.00 -2.36 0.00 0.00 39.78 37.59 1i9b n ASN 90 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1i9b s ALA 91 N -2.97 3.47 -1.06 -2.53 0.00 -0.46 -1.32 121.76 116.90 1i9b s ALA 91 Ca 0.48 1.02 0.20 0.00 0.00 0.00 0.00 51.96 53.66 1i9b s ALA 91 Cb 0.39 -3.44 -0.20 0.00 0.00 0.00 0.00 23.12 19.87 1i9b s ALA 91 CO 0.09 -0.44 0.88 -0.89 0.00 0.00 0.00 175.76 175.40 1i9b n ILE 92 N 2.48 0.00 -4.08 0.00 5.41 0.24 -4.88 119.36 118.53 1i9b n ILE 92 Ca 0.05 -0.05 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 1i9b n ILE 92 Cb 0.44 1.03 -0.09 0.00 -0.71 0.00 0.00 39.64 40.31 1i9b n ILE 92 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1i9b s SER 93 N -2.86 0.16 0.57 4.38 1.04 -1.22 -4.95 113.70 110.81 1i9b s SER 93 Ca 0.09 -1.11 -0.08 0.00 0.48 0.00 0.00 55.95 55.33 1i9b s SER 93 Cb 0.16 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1i9b s SER 93 CO 0.80 -0.84 0.92 -1.59 0.98 0.00 0.00 173.24 173.52 1i9b s LYS 94 N -4.04 3.47 0.15 4.02 -2.85 -1.26 -4.63 119.74 114.60 1i9b s LYS 94 Ca 0.24 0.44 -0.31 0.00 -1.00 0.00 0.00 55.97 55.34 1i9b s LYS 94 Cb 0.05 -2.21 -0.10 0.00 -2.06 0.00 0.00 37.83 33.51 1i9b s LYS 94 CO 0.04 -0.46 1.58 -2.14 0.10 0.00 0.00 175.35 174.46 1i9b s PRO 95 N -5.00 4.21 -0.67 1.78 0.02 -1.26 -4.81 135.00 129.28 1i9b s PRO 95 Ca 0.52 2.35 -0.13 0.00 0.02 0.00 0.00 61.00 63.77 1i9b s PRO 95 Cb -0.11 -3.23 0.17 0.00 0.02 0.00 0.00 34.50 31.36 1i9b s PRO 95 CO 0.49 -0.62 0.59 -2.00 -0.33 0.00 0.00 177.00 175.13 1i9b s GLU 96 N 1.38 3.15 -0.24 5.54 2.12 -0.84 -4.98 118.70 124.83 1i9b s GLU 96 Ca 0.71 -2.16 -0.29 0.00 0.36 0.00 0.00 54.97 53.59 1i9b s GLU 96 Cb -0.43 -4.24 -0.02 0.00 0.26 0.00 0.00 34.13 29.70 1i9b s GLU 96 CO 0.31 -1.27 1.55 0.08 -0.54 0.00 0.00 175.26 175.39 1i9b s VAL 97 N 0.72 3.78 -0.80 3.70 1.01 -1.26 -2.24 120.40 125.31 1i9b s VAL 97 Ca 0.12 0.88 0.25 0.00 0.00 0.00 0.00 61.98 63.23 1i9b s VAL 97 Cb -0.19 -3.80 0.07 0.00 0.00 0.00 0.00 36.38 32.46 1i9b s VAL 97 CO -0.04 -0.33 1.45 0.18 0.00 0.00 0.00 175.10 176.36 1i9b n LEU 98 N 8.28 0.57 -4.57 3.92 4.77 0.05 -4.94 117.00 125.08 1i9b n LEU 98 Ca 0.18 0.21 -0.25 0.00 -0.03 0.00 0.00 56.01 56.12 1i9b n LEU 98 Cb 0.45 -0.25 -0.09 0.00 -2.33 0.00 0.00 43.42 41.20 1i9b n LEU 98 CO 0.64 -0.00 -0.37 0.42 -1.33 0.00 0.00 177.39 176.75 1i9b s THR 99 N -3.09 2.51 0.21 -5.08 -4.23 -1.26 -4.97 115.64 99.73 1i9b s THR 99 Ca 0.09 -2.14 -0.32 0.00 -1.18 0.00 0.00 61.69 58.14 1i9b s THR 99 Cb 0.15 -2.65 -0.14 0.00 1.34 0.00 0.00 72.50 71.20 1i9b s THR 99 CO 0.68 -0.25 1.30 -2.65 -0.54 0.00 0.00 174.62 173.16 1i9b n PRO 100 N -0.82 1.67 -1.79 3.99 -0.02 -1.26 -4.83 135.00 131.94 1i9b n PRO 100 Ca -0.05 0.59 -0.40 0.00 -2.02 0.00 0.00 63.50 61.62 1i9b n PRO 100 Cb 0.62 -2.18 -0.01 0.00 -0.02 0.00 0.00 33.50 31.91 1i9b n PRO 100 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1i9b n GLN 101 N 1.92 4.00 -4.40 -0.52 6.02 -1.26 -4.89 117.38 118.24 1i9b n GLN 101 Ca 0.13 -2.97 -0.31 0.00 -0.01 0.00 0.00 57.00 53.84 1i9b n GLN 101 Cb 0.29 -2.79 -0.10 0.00 1.02 0.00 0.00 30.24 28.65 1i9b n GLN 101 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1i9b s LEU 102 N -0.68 3.09 0.38 1.08 1.43 -1.26 -1.29 118.68 121.43 1i9b s LEU 102 Ca 0.57 -0.25 0.08 0.00 -1.03 0.00 0.00 54.13 53.50 1i9b s LEU 102 Cb 0.17 -1.81 -0.06 0.00 0.03 0.00 0.00 46.19 44.52 1i9b s LEU 102 CO -0.07 0.24 0.08 0.00 0.23 0.00 0.00 176.35 176.84 1i9b s ALA 103 N -1.07 3.36 -0.16 4.21 0.00 0.12 -4.70 121.76 123.53 1i9b s ALA 103 Ca 0.18 -2.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.07 1i9b s ALA 103 Cb -0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 1i9b s ALA 103 CO 0.10 -0.05 -0.11 0.50 0.00 0.00 0.00 175.76 176.19 1i9b s ARG 104 N -3.79 3.37 -0.16 0.00 6.06 0.25 -0.63 118.95 124.05 1i9b s ARG 104 Ca 0.37 -0.67 0.01 0.00 -2.50 0.00 0.00 55.73 52.94 1i9b s ARG 104 Cb 0.03 -2.73 0.01 0.00 0.06 0.00 0.00 34.95 32.31 1i9b s ARG 104 CO 0.21 0.09 -0.18 0.08 -2.50 0.00 0.00 175.30 172.99 1i9b s VAL 105 N 0.69 2.35 0.11 7.11 1.01 -0.07 -0.96 120.40 130.63 1i9b s VAL 105 Ca -0.05 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 1i9b s VAL 105 Cb -0.15 -1.98 -0.07 0.00 0.00 0.00 0.00 36.38 34.18 1i9b s VAL 105 CO 0.02 0.53 0.53 -0.69 0.00 0.00 0.00 175.10 175.49 1i9b s VAL 106 N 1.02 4.86 0.63 2.92 1.01 -0.32 -1.88 120.40 128.64 1i9b s VAL 106 Ca -0.02 0.92 0.22 0.00 0.00 0.00 0.00 61.98 63.11 1i9b s VAL 106 Cb -0.15 -3.77 0.28 0.00 0.00 0.00 0.00 36.38 32.74 1i9b s VAL 106 CO -0.05 0.37 1.56 0.77 0.00 0.00 0.00 175.10 177.76 1i9b h SER 107 N 3.97 0.00 -0.28 3.32 4.64 0.16 0.14 113.55 125.50 1i9b h SER 107 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1i9b h SER 107 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1i9b h SER 107 CO 0.65 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.71 1i9b n ASP 108 N -3.11 1.55 0.00 4.97 5.75 -1.26 -0.80 116.55 123.65 1i9b n ASP 108 Ca 0.07 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1i9b n ASP 108 Cb 0.87 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.77 1i9b n ASP 108 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i9b n GLY 109 N 0.98 0.75 3.73 6.12 0.00 0.49 -4.71 105.19 112.54 1i9b n GLY 109 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1i9b n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i9b s GLU 110 N -0.50 4.66 -0.07 1.61 2.56 -1.21 0.11 118.70 125.86 1i9b s GLU 110 Ca 0.00 1.51 0.06 0.00 0.00 0.00 0.00 54.97 56.54 1i9b s GLU 110 Cb 0.00 -3.36 -0.01 0.00 2.00 0.00 0.00 34.13 32.76 1i9b s GLU 110 CO 0.00 0.16 -0.25 0.08 -0.56 0.00 0.00 175.26 174.69 1i9b s VAL 111 N 0.05 2.04 -0.15 3.70 1.01 0.32 -1.17 120.40 126.20 1i9b s VAL 111 Ca 0.48 -1.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 1i9b s VAL 111 Cb -0.24 -1.74 0.03 0.00 0.00 0.00 0.00 36.38 34.43 1i9b s VAL 111 CO 0.31 0.57 -0.08 -0.76 0.00 0.00 0.00 175.10 175.13 1i9b s LEU 112 N -0.06 1.54 -0.17 3.92 2.01 -0.13 -2.14 118.68 123.66 1i9b s LEU 112 Ca -0.07 -0.54 0.00 0.00 0.01 0.00 0.00 54.13 53.54 1i9b s LEU 112 Cb -0.15 -0.96 0.03 0.00 0.01 0.00 0.00 46.19 45.13 1i9b s LEU 112 CO 0.05 -0.14 -0.11 -0.47 1.01 0.00 0.00 176.35 176.69 1i9b s TYR 113 N 1.62 2.16 -0.51 0.29 5.04 -0.61 -0.58 117.35 124.75 1i9b s TYR 113 Ca 0.03 -1.32 0.04 0.00 -2.44 0.00 0.00 57.07 53.38 1i9b s TYR 113 Cb -0.14 -1.55 0.16 0.00 0.35 0.00 0.00 41.96 40.78 1i9b s TYR 113 CO -0.08 -0.68 0.38 1.41 -1.34 0.00 0.00 175.55 175.23 1i9b s MET 114 N 1.48 1.46 0.36 4.97 -2.45 -1.26 -0.63 119.30 123.23 1i9b s MET 114 Ca 0.02 -2.48 -0.15 0.00 -1.25 0.00 0.00 55.69 51.82 1i9b s MET 114 Cb -0.14 -2.19 -0.09 0.00 1.25 0.00 0.00 34.83 33.66 1i9b s MET 114 CO -0.09 -1.32 0.79 -1.25 1.05 0.00 0.00 175.02 174.19 1i9b s PRO 115 N -0.38 4.00 -0.25 4.11 0.04 -1.26 -4.79 135.00 136.48 1i9b s PRO 115 Ca 0.28 0.72 -0.17 0.00 0.04 0.00 0.00 61.00 61.87 1i9b s PRO 115 Cb -0.03 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 1i9b s PRO 115 CO -0.16 0.07 0.49 0.45 0.04 0.00 0.00 177.00 177.90 1i9b s SER 116 N -2.44 6.43 -0.06 6.66 0.15 -1.26 -1.71 113.70 121.48 1i9b s SER 116 Ca 0.55 0.51 0.05 0.00 0.70 0.00 0.00 55.95 57.77 1i9b s SER 116 Cb -0.10 -2.27 -0.02 0.00 -1.71 0.00 0.00 66.02 61.92 1i9b s SER 116 CO 0.19 -0.25 -0.21 -0.63 1.20 0.00 0.00 173.24 173.55 1i9b s ILE 117 N 2.13 2.42 -0.16 6.45 1.01 0.11 -0.77 121.20 132.38 1i9b s ILE 117 Ca 0.21 -0.94 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 1i9b s ILE 117 Cb -0.16 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 1i9b s ILE 117 CO 0.09 0.57 -0.01 -0.60 0.00 0.00 0.00 174.94 174.99 1i9b s ARG 118 N -0.26 3.75 -0.06 2.79 3.52 -0.95 -0.83 118.95 126.90 1i9b s ARG 118 Ca 0.00 -0.47 -0.31 0.00 -0.13 0.00 0.00 55.73 54.82 1i9b s ARG 118 Cb -0.13 -2.99 0.08 0.00 -1.56 0.00 0.00 34.95 30.34 1i9b s ARG 118 CO 0.03 0.26 0.72 -1.14 -0.81 0.00 0.00 175.30 174.35 1i9b s GLN 119 N 0.34 1.01 0.02 5.12 0.74 -0.16 -1.98 119.66 124.74 1i9b s GLN 119 Ca -0.02 0.24 -0.06 0.00 0.05 0.00 0.00 55.36 55.57 1i9b s GLN 119 Cb -0.14 0.48 -0.05 0.00 1.10 0.00 0.00 33.01 34.40 1i9b s GLN 119 CO 0.02 -0.32 0.27 1.03 -0.55 0.00 0.00 175.29 175.75 1i9b s ARG 120 N -1.21 3.58 0.11 1.67 0.52 -1.26 -2.16 118.95 120.19 1i9b s ARG 120 Ca -0.10 -0.09 0.03 0.00 -0.52 0.00 0.00 55.73 55.05 1i9b s ARG 120 Cb -0.00 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 1i9b s ARG 120 CO 0.09 0.64 -0.09 -0.06 0.02 0.00 0.00 175.30 175.90 1i9b s PHE 121 N -1.33 1.05 -0.34 -0.53 0.40 0.51 0.83 117.98 118.57 1i9b s PHE 121 Ca 0.29 -0.78 -0.08 0.00 -0.60 0.00 0.00 56.93 55.76 1i9b s PHE 121 Cb -0.13 -0.57 0.03 0.00 0.51 0.00 0.00 43.02 42.86 1i9b s PHE 121 CO 0.17 -0.03 0.13 0.45 0.70 0.00 0.00 175.22 176.64 1i9b s SER 122 N -2.87 5.40 0.39 1.36 0.15 -0.44 -0.93 113.70 116.77 1i9b s SER 122 Ca 0.11 -0.99 -0.11 0.00 0.70 0.00 0.00 55.95 55.66 1i9b s SER 122 Cb 0.02 -1.92 0.04 0.00 -1.71 0.00 0.00 66.02 62.45 1i9b s SER 122 CO -0.02 -0.31 0.71 0.00 1.20 0.00 0.00 173.24 174.82 1i9b s ASP 124 N -3.14 6.12 -0.05 0.00 -1.08 -1.26 -4.44 116.67 112.82 1i9b s ASP 124 Ca 0.21 0.77 0.20 0.00 -0.52 0.00 0.00 52.55 53.21 1i9b s ASP 124 Cb -0.04 -2.54 -0.26 0.00 -1.46 0.00 0.00 42.92 38.63 1i9b s ASP 124 CO 0.15 -1.62 0.46 0.52 0.52 0.00 0.00 175.17 175.20 1i9b n VAL 125 N 7.12 0.61 -1.56 1.11 0.31 -1.26 -3.71 118.33 120.94 1i9b n VAL 125 Ca 0.17 -0.63 -0.54 0.00 -0.01 0.00 0.00 64.34 63.33 1i9b n VAL 125 Cb 0.48 -0.26 -0.07 0.00 -0.91 0.00 0.00 33.84 33.09 1i9b n VAL 125 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1i9b n SER 126 N -2.52 1.06 0.00 4.52 3.41 -1.26 -1.23 113.62 117.60 1i9b n SER 126 Ca -0.13 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.62 1i9b n SER 126 Cb 0.77 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1i9b n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i9b n GLY 127 N 2.16 0.29 0.25 5.00 0.00 -1.26 -4.26 105.19 107.36 1i9b n GLY 127 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 1i9b n GLY 127 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1i9b h VAL 128 N 0.00 0.36 -1.72 1.61 2.07 -1.39 -1.82 116.25 115.36 1i9b h VAL 128 Ca 0.00 0.00 -0.77 0.00 0.82 0.00 0.00 66.70 66.75 1i9b h VAL 128 Cb 0.00 0.36 -0.19 0.00 -1.52 0.00 0.00 31.29 29.94 1i9b h VAL 128 CO 0.00 0.00 1.77 -0.67 0.02 0.00 0.00 177.57 178.69 1i9b n ASP 129 N -5.42 6.83 -3.95 0.57 -0.08 -1.26 -0.27 116.55 112.97 1i9b n ASP 129 Ca 0.06 -3.28 -0.09 0.00 -1.51 0.00 0.00 54.79 49.97 1i9b n ASP 129 Cb 0.32 -1.34 -0.08 0.00 2.34 0.00 0.00 41.12 42.36 1i9b n ASP 129 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1i9b s THR 130 N -1.62 0.12 0.14 5.18 2.01 -0.70 -4.99 115.64 115.78 1i9b s THR 130 Ca 0.43 -1.40 -0.12 0.00 0.31 0.00 0.00 61.69 60.92 1i9b s THR 130 Cb 0.14 -1.59 -0.02 0.00 0.01 0.00 0.00 72.50 71.04 1i9b s THR 130 CO -0.04 -0.56 1.52 -0.33 -0.69 0.00 0.00 174.62 174.51 1i9b h GLU 131 N 2.75 0.89 0.00 4.92 4.39 -1.90 -2.45 114.58 123.18 1i9b h GLU 131 Ca -0.33 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 58.97 1i9b h GLU 131 Cb 1.20 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1i9b h GLU 131 CO 0.55 1.04 -0.02 -1.13 -1.16 0.00 0.00 179.01 178.30 1i9b n SER 132 N -4.19 0.79 -0.51 1.42 3.41 -1.26 -5.01 113.62 108.27 1i9b n SER 132 Ca -0.01 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1i9b n SER 132 Cb 0.45 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1i9b n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i9b n GLY 133 N 1.32 -0.06 3.81 5.00 0.00 -0.92 -4.84 105.19 109.48 1i9b n GLY 133 Ca 0.06 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 1i9b n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i9b s ALA 134 N -1.92 3.56 -0.30 4.61 0.00 0.52 -4.47 121.76 123.76 1i9b s ALA 134 Ca 0.00 -1.46 0.01 0.00 0.00 0.00 0.00 51.96 50.51 1i9b s ALA 134 Cb 0.00 -1.23 0.09 0.00 0.00 0.00 0.00 23.12 21.97 1i9b s ALA 134 CO 0.00 0.23 0.04 0.99 0.00 0.00 0.00 175.76 177.03 1i9b s THR 135 N -2.17 1.45 -0.32 0.00 2.01 -1.25 -1.53 115.64 113.83 1i9b s THR 135 Ca 0.33 -1.61 -0.13 0.00 0.31 0.00 0.00 61.69 60.59 1i9b s THR 135 Cb -0.08 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 1i9b s THR 135 CO 0.25 -0.49 0.28 0.00 -0.69 0.00 0.00 174.62 173.97 1i9b s ARG 137 N 1.86 3.89 -0.16 0.00 0.52 -1.26 0.13 118.95 123.94 1i9b s ARG 137 Ca 0.09 -0.23 0.01 0.00 -0.52 0.00 0.00 55.73 55.08 1i9b s ARG 137 Cb -0.17 -3.29 0.02 0.00 0.52 0.00 0.00 34.95 32.04 1i9b s ARG 137 CO 0.11 0.44 -0.17 0.42 0.02 0.00 0.00 175.30 176.12 1i9b s ILE 138 N -0.06 1.79 -0.21 1.52 1.01 0.35 -4.85 121.20 120.74 1i9b s ILE 138 Ca 0.09 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 59.90 1i9b s ILE 138 Cb -0.12 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 1i9b s ILE 138 CO 0.00 0.49 0.05 -0.54 0.00 0.00 0.00 174.94 174.94 1i9b s LYS 139 N 1.35 3.74 -0.03 2.79 1.02 -1.26 -1.08 119.74 126.27 1i9b s LYS 139 Ca 0.04 -0.45 0.02 0.00 0.02 0.00 0.00 55.97 55.59 1i9b s LYS 139 Cb -0.13 -3.21 0.01 0.00 -0.52 0.00 0.00 37.83 33.98 1i9b s LYS 139 CO -0.11 0.02 -0.07 0.96 -0.92 0.00 0.00 175.35 175.23 1i9b s ILE 140 N 1.04 0.66 0.34 2.17 -4.36 -0.85 0.37 121.20 120.57 1i9b s ILE 140 Ca 0.03 -0.25 -0.16 0.00 -0.26 0.00 0.00 60.65 60.01 1i9b s ILE 140 Cb -0.14 -0.63 0.03 0.00 1.25 0.00 0.00 42.46 42.97 1i9b s ILE 140 CO 0.03 0.23 0.72 -0.83 0.24 0.00 0.00 174.94 175.32 1i9b s GLY 141 N 0.52 0.33 0.40 6.27 0.00 -0.88 -1.90 107.32 112.05 1i9b s GLY 141 Ca -0.08 -0.68 -0.26 0.00 0.00 0.00 0.00 44.72 43.70 1i9b s GLY 141 CO 0.01 -0.32 1.26 -1.26 0.00 0.00 0.00 173.10 172.79 1i9b n SER 142 N -1.02 2.54 0.01 1.64 2.88 -1.26 -1.76 113.62 116.65 1i9b n SER 142 Ca -0.06 1.13 -0.12 0.00 -1.33 0.00 0.00 58.87 58.50 1i9b n SER 142 Cb 0.60 -1.49 -0.14 0.00 -0.75 0.00 0.00 64.21 62.43 1i9b n SER 142 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 1i9b h TRP 143 N 2.18 0.15 0.00 0.66 2.91 -1.59 -3.41 115.95 116.86 1i9b h TRP 143 Ca -0.47 -0.11 0.00 0.00 1.13 0.00 0.00 58.89 59.44 1i9b h TRP 143 Cb 1.29 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.94 1i9b h TRP 143 CO 0.48 1.19 -0.47 0.25 -1.03 0.00 0.00 178.44 178.86 1i9b n THR 144 N -3.22 0.00 -3.98 2.65 -2.24 -1.26 -5.00 114.28 101.22 1i9b n THR 144 Ca -0.17 -0.31 -0.35 0.00 -2.27 0.00 0.00 64.05 60.95 1i9b n THR 144 Cb 1.04 0.81 -0.11 0.00 -2.10 0.00 0.00 70.33 69.97 1i9b n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1i9b s HIS 145 N -1.58 3.18 0.85 4.78 3.76 -1.26 -5.10 115.29 119.92 1i9b s HIS 145 Ca 0.00 -0.08 -0.10 0.00 -0.15 0.00 0.00 55.06 54.73 1i9b s HIS 145 Cb 0.02 -2.11 0.15 0.00 1.11 0.00 0.00 32.58 31.75 1i9b s HIS 145 CO 0.11 -0.00 1.18 -3.38 -0.85 0.00 0.00 174.74 171.81 1i9b s HIS 146 N 0.72 1.85 0.62 1.40 -3.43 -1.26 -4.59 115.29 110.59 1i9b s HIS 146 Ca 0.03 0.20 0.27 0.00 -0.80 0.00 0.00 55.06 54.76 1i9b s HIS 146 Cb -0.13 -3.65 1.36 0.00 -1.43 0.00 0.00 32.58 28.72 1i9b s HIS 146 CO 0.02 -2.18 1.78 0.66 -2.00 0.00 0.00 174.74 173.02 1i9b h SER 147 N -1.17 0.00 1.52 7.38 4.64 -0.80 0.11 113.55 125.23 1i9b h SER 147 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1i9b h SER 147 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1i9b h SER 147 CO 0.43 0.00 -0.11 0.03 -0.87 0.00 0.00 176.83 176.32 1i9b h ARG 148 N 0.00 0.00 0.00 4.77 3.08 -1.92 -3.37 114.38 116.94 1i9b h ARG 148 Ca 0.16 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.00 1i9b h ARG 148 Cb 1.26 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 1i9b h ARG 148 CO -0.00 0.00 -1.75 0.39 -1.07 0.00 0.00 179.97 177.54 1i9b n GLU 149 N -2.47 0.30 -4.63 0.04 1.02 -0.13 -3.27 120.64 111.49 1i9b n GLU 149 Ca 0.05 0.11 -0.23 0.00 -0.02 0.00 0.00 57.16 57.07 1i9b n GLU 149 Cb 0.46 -1.09 -0.15 0.00 -0.02 0.00 0.00 31.44 30.64 1i9b n GLU 149 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1i9b s ILE 150 N -2.25 1.12 -0.04 -3.67 1.01 -0.30 0.76 121.20 117.83 1i9b s ILE 150 Ca -0.18 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 59.92 1i9b s ILE 150 Cb 0.06 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.59 1i9b s ILE 150 CO 0.26 0.32 -0.10 -0.94 0.00 0.00 0.00 174.94 174.49 1i9b s SER 151 N -0.08 1.36 0.00 3.58 1.04 -0.78 -3.51 113.70 115.31 1i9b s SER 151 Ca 0.00 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.24 1i9b s SER 151 Cb -0.08 -0.49 -0.04 0.00 0.10 0.00 0.00 66.02 65.51 1i9b s SER 151 CO 0.00 0.04 -0.02 0.68 0.98 0.00 0.00 173.24 174.93 1i9b s VAL 152 N 0.43 4.01 -0.04 5.02 -7.23 -1.25 -1.17 120.40 120.18 1i9b s VAL 152 Ca -0.08 -0.67 -0.06 0.00 -1.81 0.00 0.00 61.98 59.37 1i9b s VAL 152 Cb -0.12 -2.78 0.01 0.00 0.56 0.00 0.00 36.38 34.05 1i9b s VAL 152 CO 0.01 0.37 0.15 -1.81 -0.31 0.00 0.00 175.10 173.51 1i9b s ASP 153 N -1.55 -0.09 1.13 4.85 1.01 -0.61 -4.76 116.67 116.65 1i9b s ASP 153 Ca 0.19 0.12 -0.16 0.00 0.71 0.00 0.00 52.55 53.41 1i9b s ASP 153 Cb -0.11 0.27 0.23 0.00 1.01 0.00 0.00 42.92 44.32 1i9b s ASP 153 CO 0.10 -0.17 0.99 -2.65 0.21 0.00 0.00 175.17 173.65 1i9b n PRO 154 N 2.43 -2.18 0.00 8.23 -0.02 -1.26 -1.94 135.00 140.26 1i9b n PRO 154 Ca -0.16 -1.56 0.00 0.00 -2.02 0.00 0.00 63.50 59.76 1i9b n PRO 154 Cb 0.58 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.77 1i9b n PRO 154 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1i9b n THR 155 N -4.14 0.00 -0.47 3.45 -2.24 -1.26 -4.80 114.28 104.82 1i9b n THR 155 Ca 0.13 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.78 1i9b n THR 155 Cb 0.49 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.67 1i9b n THR 155 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1i9b n THR 156 N 0.00 0.00 0.62 4.28 -1.04 -1.26 -4.84 114.28 112.04 1i9b n THR 156 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 1i9b n THR 156 Cb 0.00 -0.16 0.24 0.00 -1.82 0.00 0.00 70.33 68.60 1i9b n THR 156 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1i9b n GLU 157 N 2.67 0.26 0.00 -2.82 1.02 -1.26 -4.48 120.64 116.03 1i9b n GLU 157 Ca 0.21 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 1i9b n GLU 157 Cb 0.01 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.73 1i9b n GLU 157 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1i9b n ASN 158 N -2.09 0.00 0.00 1.62 3.02 -1.26 -4.87 115.26 111.68 1i9b n ASN 158 Ca 0.04 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 1i9b n ASN 158 Cb 0.43 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 1i9b n ASN 158 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1i9b n SER 159 N -0.34 0.00 -4.69 6.41 3.41 -1.26 -4.54 113.62 112.61 1i9b n SER 159 Ca 0.00 0.00 -0.51 0.00 -0.26 0.00 0.00 58.87 58.10 1i9b n SER 159 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1i9b n SER 159 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1i9b n ASP 160 N 0.00 3.11 0.14 4.04 2.03 -1.26 -4.79 116.55 119.82 1i9b n ASP 160 Ca 0.00 1.01 0.05 0.00 0.52 0.00 0.00 54.79 56.36 1i9b n ASP 160 Cb 0.00 -1.30 0.25 0.00 -0.72 0.00 0.00 41.12 39.35 1i9b n ASP 160 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1i9b n ASP 161 N 6.14 0.24 -1.56 1.67 8.00 -1.26 -1.63 116.55 128.15 1i9b n ASP 161 Ca 0.24 0.46 0.02 0.00 0.71 0.00 0.00 54.79 56.22 1i9b n ASP 161 Cb 0.24 -0.39 0.06 0.00 -0.02 0.00 0.00 41.12 41.02 1i9b n ASP 161 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1i9b n SER 162 N -1.89 1.45 0.03 -2.24 3.41 -1.26 -4.70 113.62 108.43 1i9b n SER 162 Ca -0.01 -2.49 0.11 0.00 -0.26 0.00 0.00 58.87 56.22 1i9b n SER 162 Cb 0.38 -0.38 0.46 0.00 -0.26 0.00 0.00 64.21 64.41 1i9b n SER 162 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1i9b n GLU 163 N -0.07 0.07 0.00 4.33 0.28 -0.65 -2.54 120.64 122.06 1i9b n GLU 163 Ca 0.11 0.18 0.03 0.00 -0.16 0.00 0.00 57.16 57.32 1i9b n GLU 163 Cb 0.99 -1.60 -0.01 0.00 1.43 0.00 0.00 31.44 32.25 1i9b n GLU 163 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1i9b n TYR 164 N -1.72 0.00 -1.93 -1.84 4.01 -1.26 -5.03 117.16 109.39 1i9b n TYR 164 Ca 0.05 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.40 1i9b n TYR 164 Cb 0.28 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.32 1i9b n TYR 164 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1i9b s PHE 165 N -1.22 2.58 0.31 -0.72 5.36 -1.05 -4.57 117.98 118.67 1i9b s PHE 165 Ca 0.04 1.37 -0.28 0.00 -0.96 0.00 0.00 56.93 57.09 1i9b s PHE 165 Cb 0.05 -3.75 -0.09 0.00 -0.34 0.00 0.00 43.02 38.88 1i9b s PHE 165 CO 0.18 -2.50 1.13 0.45 -1.46 0.00 0.00 175.22 173.02 1i9b s SER 166 N -0.78 7.07 0.30 6.13 0.15 0.69 -4.93 113.70 122.34 1i9b s SER 166 Ca 0.62 2.31 0.22 0.00 0.70 0.00 0.00 55.95 59.80 1i9b s SER 166 Cb -0.39 -2.62 0.14 0.00 -1.71 0.00 0.00 66.02 61.43 1i9b s SER 166 CO 0.50 -0.29 1.30 0.06 1.20 0.00 0.00 173.24 176.01 1i9b h GLN 167 N 3.49 0.00 -0.08 5.44 3.07 -1.92 -3.26 115.11 121.85 1i9b h GLN 167 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 1i9b h GLN 167 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.78 1i9b h GLN 167 CO 0.66 0.07 0.00 0.66 0.09 0.00 0.00 178.83 180.31 1i9b n TYR 168 N -2.92 0.09 -1.87 0.06 4.01 -1.26 -4.91 117.16 110.36 1i9b n TYR 168 Ca 0.01 -0.04 -0.39 0.00 -0.16 0.00 0.00 57.90 57.31 1i9b n TYR 168 Cb 0.58 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.63 1i9b n TYR 168 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1i9b s SER 169 N -1.77 5.84 0.28 7.72 0.15 -1.23 -4.87 113.70 119.83 1i9b s SER 169 Ca 0.35 2.81 0.24 0.00 0.70 0.00 0.00 55.95 60.05 1i9b s SER 169 Cb 0.19 -2.64 1.04 0.00 -1.71 0.00 0.00 66.02 62.89 1i9b s SER 169 CO 0.29 -1.19 1.71 -1.14 1.20 0.00 0.00 173.24 174.12 1i9b n ARG 170 N -0.32 0.19 -4.74 5.44 0.63 -1.26 -4.77 116.66 111.83 1i9b n ARG 170 Ca 0.06 0.47 -0.32 0.00 -0.92 0.00 0.00 57.85 57.14 1i9b n ARG 170 Cb 0.43 -1.91 -0.08 0.00 0.45 0.00 0.00 32.46 31.36 1i9b n ARG 170 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1i9b s PHE 171 N -3.38 1.82 0.03 -0.14 0.40 -1.26 -2.72 117.98 112.74 1i9b s PHE 171 Ca 0.03 -1.01 -0.05 0.00 -0.60 0.00 0.00 56.93 55.30 1i9b s PHE 171 Cb 0.09 -1.55 -0.01 0.00 0.51 0.00 0.00 43.02 42.05 1i9b s PHE 171 CO 0.36 0.16 0.08 -1.83 0.70 0.00 0.00 175.22 174.69 1i9b s GLU 172 N -3.86 0.56 -0.21 0.44 -1.05 -0.33 -4.69 118.70 109.54 1i9b s GLU 172 Ca 0.06 -0.74 -0.10 0.00 -0.15 0.00 0.00 54.97 54.03 1i9b s GLU 172 Cb 0.01 0.22 -0.05 0.00 -0.44 0.00 0.00 34.13 33.87 1i9b s GLU 172 CO 0.04 -0.13 0.15 0.42 0.95 0.00 0.00 175.26 176.68 1i9b s ILE 173 N -2.50 5.39 -0.16 1.83 1.01 -1.26 -1.79 121.20 123.72 1i9b s ILE 173 Ca -0.06 0.20 -0.15 0.00 0.00 0.00 0.00 60.65 60.64 1i9b s ILE 173 Cb -0.02 -3.49 -0.12 0.00 0.01 0.00 0.00 42.46 38.84 1i9b s ILE 173 CO -0.04 0.40 0.13 -0.07 0.00 0.00 0.00 174.94 175.35 1i9b h LEU 174 N 7.02 0.00 -7.06 2.97 3.38 -0.92 -3.49 115.31 117.20 1i9b h LEU 174 Ca -0.40 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.20 1i9b h LEU 174 Cb 1.16 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.76 1i9b h LEU 174 CO 0.72 1.03 0.15 -0.62 0.09 0.00 0.00 178.44 179.81 1i9b s ASP 175 N -6.20 -0.55 -0.05 -0.43 2.15 -0.70 -5.04 116.67 105.86 1i9b s ASP 175 Ca -0.19 0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.02 1i9b s ASP 175 Cb 0.02 0.55 0.03 0.00 -0.30 0.00 0.00 42.92 43.22 1i9b s ASP 175 CO 0.39 -0.81 -0.01 -0.69 -0.17 0.00 0.00 175.17 173.89 1i9b s VAL 176 N -2.73 0.34 0.04 1.11 1.01 -1.26 -0.99 120.40 117.92 1i9b s VAL 176 Ca -0.04 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.00 1i9b s VAL 176 Cb -0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 1i9b s VAL 176 CO -0.04 0.20 -0.08 0.42 0.00 0.00 0.00 175.10 175.60 1i9b s THR 177 N 1.28 0.61 -0.09 3.92 -4.23 -1.10 -4.99 115.64 111.04 1i9b s THR 177 Ca -0.06 -0.94 0.02 0.00 -1.18 0.00 0.00 61.69 59.53 1i9b s THR 177 Cb -0.13 -0.63 0.01 0.00 1.34 0.00 0.00 72.50 73.09 1i9b s THR 177 CO -0.02 -0.25 -0.13 -1.10 -0.54 0.00 0.00 174.62 172.57 1i9b s GLN 178 N -1.31 1.93 -0.15 3.99 -0.21 -1.26 -0.54 119.66 122.11 1i9b s GLN 178 Ca -0.06 -0.47 -0.02 0.00 0.02 0.00 0.00 55.36 54.83 1i9b s GLN 178 Cb -0.08 -1.65 0.05 0.00 1.00 0.00 0.00 33.01 32.32 1i9b s GLN 178 CO 0.01 -0.04 -0.01 0.15 -2.12 0.00 0.00 175.29 173.28 1i9b s LYS 179 N 0.90 0.94 0.70 2.91 1.02 -0.32 -4.90 119.74 121.00 1i9b s LYS 179 Ca -0.09 -0.33 -0.14 0.00 0.02 0.00 0.00 55.97 55.42 1i9b s LYS 179 Cb -0.15 -1.80 0.02 0.00 -0.52 0.00 0.00 37.83 35.38 1i9b s LYS 179 CO 0.01 -0.48 1.13 -1.59 -0.92 0.00 0.00 175.35 173.50 1i9b s LYS 180 N 1.80 2.52 0.39 1.68 0.00 -1.26 -2.35 119.74 122.51 1i9b s LYS 180 Ca 0.01 1.46 0.06 0.00 0.00 0.00 0.00 55.97 57.49 1i9b s LYS 180 Cb -0.15 -1.91 -0.02 0.00 0.00 0.00 0.00 37.83 35.75 1i9b s LYS 180 CO -0.07 -1.48 0.20 -0.80 0.00 0.00 0.00 175.35 173.20 1i9b s ASN 181 N -2.55 2.40 -0.28 0.03 0.01 0.18 -4.89 114.94 109.85 1i9b s ASN 181 Ca 0.68 -1.75 0.00 0.00 -0.71 0.00 0.00 52.86 51.08 1i9b s ASN 181 Cb -0.22 0.59 0.16 0.00 0.41 0.00 0.00 41.25 42.19 1i9b s ASN 181 CO 0.44 -1.02 0.47 -0.55 -1.51 0.00 0.00 177.10 174.93 1i9b s SER 182 N -3.52 -0.34 0.02 -1.22 0.15 -1.26 -2.45 113.70 105.07 1i9b s SER 182 Ca 0.30 0.17 0.05 0.00 0.70 0.00 0.00 55.95 57.17 1i9b s SER 182 Cb 0.02 1.48 -0.03 0.00 -1.71 0.00 0.00 66.02 65.77 1i9b s SER 182 CO 0.21 -0.31 -0.11 -0.69 1.20 0.00 0.00 173.24 173.53 1i9b s VAL 183 N 2.65 3.29 -0.15 4.45 1.01 -1.11 -4.89 120.40 125.65 1i9b s VAL 183 Ca 0.13 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 1i9b s VAL 183 Cb -0.14 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 1i9b s VAL 183 CO -0.23 0.37 -0.11 -0.89 0.00 0.00 0.00 175.10 174.24 1i9b s THR 184 N -0.97 3.10 -0.02 3.92 2.01 -1.26 0.55 115.64 122.97 1i9b s THR 184 Ca 0.16 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.54 1i9b s THR 184 Cb -0.11 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 1i9b s THR 184 CO 0.07 0.50 0.00 -0.31 -0.69 0.00 0.00 174.62 174.19 1i9b s TYR 185 N 0.62 3.09 0.41 4.92 1.51 -1.23 -4.99 117.35 121.68 1i9b s TYR 185 Ca -0.06 0.10 0.14 0.00 -1.01 0.00 0.00 57.07 56.24 1i9b s TYR 185 Cb -0.15 -1.70 1.00 0.00 -0.11 0.00 0.00 41.96 41.00 1i9b s TYR 185 CO 0.03 0.46 1.89 0.66 -1.11 0.00 0.00 175.55 177.47 1i9b h SER 186 N 4.52 0.46 -0.85 2.29 4.64 -1.99 0.24 113.55 122.87 1i9b h SER 186 Ca -0.49 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1i9b h SER 186 Cb 1.18 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.17 1i9b h SER 186 CO 0.57 0.22 0.53 0.00 -0.87 0.00 0.00 176.83 177.28 1i9b h PRO 189 N 7.59 -0.07 0.00 0.00 0.11 -1.84 -3.26 132.00 134.53 1i9b h PRO 189 Ca -0.32 0.01 -0.44 0.00 0.11 0.00 0.00 66.00 65.35 1i9b h PRO 189 Cb 1.16 0.02 0.13 0.00 0.11 0.00 0.00 31.00 32.42 1i9b h PRO 189 CO 0.48 -0.05 0.28 0.39 -0.21 0.00 0.00 178.00 178.89 1i9b n GLU 190 N -5.35 -0.74 -3.84 1.05 -0.58 -1.26 -4.92 120.64 105.00 1i9b n GLU 190 Ca 0.04 -2.34 -0.35 0.00 -0.42 0.00 0.00 57.16 54.08 1i9b n GLU 190 Cb 0.32 -1.03 -0.05 0.00 -0.57 0.00 0.00 31.44 30.10 1i9b n GLU 190 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1i9b s ALA 191 N -3.61 3.89 -0.29 0.62 0.00 -1.26 -4.36 121.76 116.75 1i9b s ALA 191 Ca 0.70 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.05 1i9b s ALA 191 Cb -0.03 -1.98 0.08 0.00 0.00 0.00 0.00 23.12 21.18 1i9b s ALA 191 CO 0.48 0.66 -0.04 0.71 0.00 0.00 0.00 175.76 177.57 1i9b s TYR 192 N -1.19 3.45 0.63 0.00 1.51 0.19 -0.45 117.35 121.49 1i9b s TYR 192 Ca 0.22 -2.59 -0.17 0.00 -1.01 0.00 0.00 57.07 53.53 1i9b s TYR 192 Cb -0.13 -2.32 -0.01 0.00 -0.11 0.00 0.00 41.96 39.39 1i9b s TYR 192 CO 0.12 -0.91 1.16 -1.21 -1.11 0.00 0.00 175.55 173.60 1i9b s GLU 193 N 1.03 2.82 0.00 -0.62 2.02 -1.26 -2.75 118.70 119.95 1i9b s GLU 193 Ca -0.01 1.61 -0.28 0.00 0.02 0.00 0.00 54.97 56.31 1i9b s GLU 193 Cb -0.20 -1.93 0.08 0.00 0.10 0.00 0.00 34.13 32.18 1i9b s GLU 193 CO -0.06 -1.27 0.72 0.16 0.02 0.00 0.00 175.26 174.82 1i9b s ASP 194 N -2.07 -0.56 -0.20 -0.19 1.47 -1.03 -4.26 116.67 109.82 1i9b s ASP 194 Ca 0.72 0.38 -0.08 0.00 1.18 0.00 0.00 52.55 54.76 1i9b s ASP 194 Cb -0.25 0.51 -0.04 0.00 -0.34 0.00 0.00 42.92 42.80 1i9b s ASP 194 CO 0.37 -0.69 0.07 -0.69 0.68 0.00 0.00 175.17 174.92 1i9b s VAL 195 N -2.16 4.72 -0.23 2.11 1.01 -0.80 0.47 120.40 125.52 1i9b s VAL 195 Ca -0.04 -0.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 1i9b s VAL 195 Cb -0.00 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1i9b s VAL 195 CO -0.00 0.42 0.11 -0.70 0.00 0.00 0.00 175.10 174.92 1i9b s GLU 196 N 0.76 3.87 -0.19 2.72 2.12 -0.99 -2.01 118.70 124.98 1i9b s GLU 196 Ca 0.04 -0.37 -0.03 0.00 0.36 0.00 0.00 54.97 54.97 1i9b s GLU 196 Cb -0.13 -3.39 -0.01 0.00 0.26 0.00 0.00 34.13 30.85 1i9b s GLU 196 CO 0.02 -0.01 -0.07 0.08 -0.54 0.00 0.00 175.26 174.75 1i9b s VAL 197 N 1.18 3.37 -0.28 3.70 1.01 -0.24 -1.17 120.40 127.97 1i9b s VAL 197 Ca 0.06 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 1i9b s VAL 197 Cb -0.14 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1i9b s VAL 197 CO 0.04 0.46 0.16 -0.44 0.00 0.00 0.00 175.10 175.32 1i9b s SER 198 N 1.00 5.74 -0.48 3.32 0.01 0.30 -0.50 113.70 123.09 1i9b s SER 198 Ca -0.00 -0.15 -0.14 0.00 1.31 0.00 0.00 55.95 56.97 1i9b s SER 198 Cb -0.15 -2.06 0.10 0.00 0.21 0.00 0.00 66.02 64.12 1i9b s SER 198 CO -0.00 -0.08 0.39 -0.22 0.41 0.00 0.00 173.24 173.74 1i9b s LEU 199 N 1.70 5.70 -0.42 2.44 2.96 0.12 -2.70 118.68 128.49 1i9b s LEU 199 Ca 0.07 -1.57 -0.18 0.00 -0.22 0.00 0.00 54.13 52.22 1i9b s LEU 199 Cb -0.16 -2.13 0.02 0.00 0.50 0.00 0.00 46.19 44.42 1i9b s LEU 199 CO 0.09 -0.69 0.48 0.21 -1.32 0.00 0.00 176.35 175.12 1i9b s ASN 200 N 2.80 6.22 0.31 3.68 2.47 -0.16 -1.09 114.94 129.18 1i9b s ASN 200 Ca 0.04 -0.59 0.05 0.00 0.42 0.00 0.00 52.86 52.78 1i9b s ASN 200 Cb -0.26 -2.25 -0.03 0.00 -1.45 0.00 0.00 41.25 37.27 1i9b s ASN 200 CO 0.04 -0.62 0.28 0.72 -3.72 0.00 0.00 177.10 173.80 1i9b s PHE 201 N 2.29 1.58 0.13 0.43 -0.71 -0.58 -0.21 117.98 120.91 1i9b s PHE 201 Ca 0.14 -1.57 -0.24 0.00 -1.04 0.00 0.00 56.93 54.22 1i9b s PHE 201 Cb -0.16 -0.62 0.07 0.00 -1.21 0.00 0.00 43.02 41.10 1i9b s PHE 201 CO 0.15 -0.87 0.70 -0.98 -1.34 0.00 0.00 175.22 172.88 1i9b s ARG 202 N -3.52 1.19 0.31 1.99 1.70 -0.74 -0.36 118.95 119.53 1i9b s ARG 202 Ca 0.39 -0.47 -0.29 0.00 -0.47 0.00 0.00 55.73 54.89 1i9b s ARG 202 Cb 0.03 0.53 -0.10 0.00 -0.57 0.00 0.00 34.95 34.84 1i9b s ARG 202 CO 0.24 -0.53 1.37 0.21 -1.08 0.00 0.00 175.30 175.51 1i9b s LYS 203 N -3.58 4.30 0.30 3.89 2.20 0.62 -1.19 119.74 126.28 1i9b s LYS 203 Ca 0.03 2.27 -0.30 0.00 -0.36 0.00 0.00 55.97 57.62 1i9b s LYS 203 Cb -0.01 -3.08 -0.11 0.00 -1.51 0.00 0.00 37.83 33.12 1i9b s LYS 203 CO -0.10 -0.30 1.60 0.15 -0.36 0.00 0.00 175.35 176.34 1i9b s LYS 204 N -1.32 4.12 0.00 4.03 1.02 -1.10 -4.77 119.74 121.71 1i9b s LYS 204 Ca 0.53 2.59 0.25 0.00 0.02 0.00 0.00 55.97 59.36 1i9b s LYS 204 Cb -0.41 -3.02 0.50 0.00 -0.52 0.00 0.00 37.83 34.39 1i9b s LYS 204 CO 0.50 -0.64 1.44 0.41 -0.92 0.00 0.00 175.35 176.14