#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cd3 s GLU 2 N 0.00 3.69 0.58 2.12 2.02 -1.26 -5.02 118.70 120.83 1cd3 s GLU 2 Ca 0.00 2.27 0.08 0.00 0.02 0.00 0.00 54.97 57.34 1cd3 s GLU 2 Cb 0.00 -2.61 0.08 0.00 0.10 0.00 0.00 34.13 31.69 1cd3 s GLU 2 CO 0.00 -0.76 0.64 -0.65 0.02 0.00 0.00 175.26 174.51 1cd3 s GLN 3 N -2.47 2.23 -0.30 1.61 -0.21 -1.23 -4.94 119.66 114.36 1cd3 s GLN 3 Ca 0.61 -1.86 -0.17 0.00 0.02 0.00 0.00 55.36 53.96 1cd3 s GLN 3 Cb -0.41 -2.39 0.21 0.00 1.00 0.00 0.00 33.01 31.43 1cd3 s GLN 3 CO 0.51 -0.83 1.32 -0.48 -2.12 0.00 0.00 175.29 173.70 1cd3 s LEU 4 N -4.53 -0.02 0.00 2.90 0.05 -1.26 -3.51 118.68 112.31 1cd3 s LEU 4 Ca 0.49 0.03 0.00 0.00 0.05 0.00 0.00 54.13 54.70 1cd3 s LEU 4 Cb -0.04 1.02 0.00 0.00 -2.05 0.00 0.00 46.19 45.13 1cd3 s LEU 4 CO 0.31 -0.00 0.00 0.35 -0.55 0.00 0.00 176.35 176.46 1cd3 n THR 5 N 2.78 0.00 -4.28 5.48 -2.24 -1.06 -3.15 114.28 111.81 1cd3 n THR 5 Ca -0.16 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.43 1cd3 n THR 5 Cb 0.56 -1.14 -0.11 0.00 -2.10 0.00 0.00 70.33 67.55 1cd3 n THR 5 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1cd3 s LYS 6 N -0.81 1.13 0.03 -0.78 -0.14 -1.21 -4.41 119.74 113.55 1cd3 s LYS 6 Ca 0.00 -1.34 -0.00 0.00 -1.36 0.00 0.00 55.97 53.26 1cd3 s LYS 6 Cb 0.00 -1.02 0.00 0.00 -1.68 0.00 0.00 37.83 35.13 1cd3 s LYS 6 CO 0.00 0.19 0.01 0.27 -0.76 0.00 0.00 175.35 175.06 1cd3 n ASN 7 N 0.30 -0.88 -3.40 2.83 6.94 -0.69 -4.47 115.26 115.89 1cd3 n ASN 7 Ca -0.13 -0.01 -0.26 0.00 -0.02 0.00 0.00 54.58 54.15 1cd3 n ASN 7 Cb 0.58 -0.02 -0.08 0.00 -2.36 0.00 0.00 39.78 37.90 1cd3 n ASN 7 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 1cd3 n GLN 8 N -0.81 2.04 0.00 -3.83 0.00 -1.25 -4.70 117.38 108.83 1cd3 n GLN 8 Ca 0.00 -4.32 0.00 0.00 -0.00 0.00 0.00 57.00 52.68 1cd3 n GLN 8 Cb 0.01 -2.02 0.00 0.00 0.00 0.00 0.00 30.24 28.23 1cd3 n GLN 8 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1cd3 n ARG 61 N 1.08 0.00 -0.17 3.69 0.63 -1.26 -4.39 116.66 116.24 1cd3 n ARG 61 Ca 0.27 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 57.15 1cd3 n ARG 61 Cb 0.43 0.00 0.12 0.00 0.45 0.00 0.00 32.46 33.46 1cd3 n ARG 61 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1cd3 h LYS 62 N 0.00 0.94 -0.59 -0.14 3.64 -2.05 -1.81 116.57 116.56 1cd3 h LYS 62 Ca 0.00 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 1cd3 h LYS 62 Cb 0.00 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 1cd3 h LYS 62 CO 0.00 0.88 0.32 -0.22 -2.27 0.00 0.00 179.45 178.16 1cd3 h LYS 63 N 0.89 0.82 -0.42 1.90 3.64 -2.05 -0.00 116.57 121.34 1cd3 h LYS 63 Ca 0.18 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.36 1cd3 h LYS 63 Cb 0.40 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1cd3 h LYS 63 CO 0.01 0.62 -0.16 -0.09 -2.27 0.00 0.00 179.45 177.56 1cd3 h ARG 64 N 0.79 0.80 -0.84 1.90 2.43 -1.94 -1.88 114.38 115.65 1cd3 h ARG 64 Ca 0.21 -0.30 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 1cd3 h ARG 64 Cb 0.04 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 1cd3 h ARG 64 CO -0.03 0.91 0.41 0.22 -1.51 0.00 0.00 179.97 179.97 1cd3 h ASP 65 N 0.71 1.09 -0.70 -3.80 -0.00 -0.63 -0.27 116.42 112.82 1cd3 h ASP 65 Ca 0.11 -0.13 -0.07 0.00 -0.00 0.00 0.00 57.03 56.94 1cd3 h ASP 65 Cb 0.67 -0.28 -0.03 0.00 -0.00 0.00 0.00 39.33 39.69 1cd3 h ASP 65 CO 0.05 0.91 0.16 -0.08 -0.00 0.00 0.00 179.24 180.29 1cd3 h GLU 66 N 1.19 1.13 -0.78 0.28 4.81 -0.76 -1.81 114.58 118.64 1cd3 h GLU 66 Ca 0.29 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1cd3 h GLU 66 Cb 0.11 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1cd3 h GLU 66 CO -0.04 1.00 0.31 0.97 -0.73 0.00 0.00 179.01 180.52 1cd3 h ILE 67 N 1.07 1.26 -0.65 2.32 2.10 -0.63 -1.55 117.51 121.43 1cd3 h ILE 67 Ca 0.22 -0.81 -0.07 0.00 1.08 0.00 0.00 64.86 65.28 1cd3 h ILE 67 Cb 0.38 0.34 -0.03 0.00 -1.09 0.00 0.00 36.82 36.42 1cd3 h ILE 67 CO 0.00 0.33 0.14 -0.08 -1.08 0.00 0.00 178.15 177.47 1cd3 h GLU 68 N 1.13 1.06 -0.59 2.19 4.81 -0.77 -1.54 114.58 120.86 1cd3 h GLU 68 Ca 0.26 -0.26 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1cd3 h GLU 68 Cb 0.22 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1cd3 h GLU 68 CO -0.02 0.96 0.13 0.00 -0.73 0.00 0.00 179.01 179.34 1cd3 h ALA 69 N 1.05 0.78 -0.68 2.92 0.00 -0.96 -1.22 119.26 121.16 1cd3 h ALA 69 Ca 0.20 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1cd3 h ALA 69 Cb 0.39 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1cd3 h ALA 69 CO 0.01 0.51 0.22 0.78 0.00 0.00 0.00 179.25 180.76 1cd3 h GLY 70 N 0.87 1.11 1.04 0.00 0.00 -1.09 -1.53 103.07 103.47 1cd3 h GLY 70 Ca 0.18 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 1cd3 h GLY 70 CO 0.01 0.59 0.22 1.70 0.00 0.00 0.00 176.54 179.05 1cd3 h LYS 71 N 1.00 1.10 -0.68 4.80 3.64 -0.91 -1.87 116.57 123.66 1cd3 h LYS 71 Ca 0.22 -0.24 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1cd3 h LYS 71 Cb 0.27 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1cd3 h LYS 71 CO -0.01 0.95 0.12 0.77 -2.27 0.00 0.00 179.45 179.01 1cd3 h SER 72 N 1.04 1.06 -0.70 4.20 0.02 -0.63 -2.58 113.55 115.96 1cd3 h SER 72 Ca 0.23 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1cd3 h SER 72 Cb 0.31 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1cd3 h SER 72 CO -0.01 1.04 0.34 0.22 -1.14 0.00 0.00 176.83 177.28 1cd3 h TYR 73 N 1.04 1.03 -0.77 3.45 3.20 -1.01 -1.94 116.97 121.95 1cd3 h TYR 73 Ca 0.21 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 1cd3 h TYR 73 Cb 0.43 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 1cd3 h TYR 73 CO 0.03 0.75 0.34 0.00 -1.64 0.00 0.00 178.16 177.64 1cd3 h SER 75 N 1.11 1.03 -0.52 0.00 0.87 -0.98 -2.63 113.55 112.42 1cd3 h SER 75 Ca 0.26 -0.33 -0.03 0.00 -1.23 0.00 0.00 61.79 60.46 1cd3 h SER 75 Cb 0.17 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 1cd3 h SER 75 CO -0.03 1.12 0.23 0.08 -0.53 0.00 0.00 176.83 177.70 1cd3 h ARG 76 N 0.93 0.82 -0.66 2.24 -0.00 -1.27 4.38 114.38 120.80 1cd3 h ARG 76 Ca 0.15 -0.12 0.02 0.00 -0.00 0.00 0.00 59.98 60.03 1cd3 h ARG 76 Cb 0.62 -0.15 -0.04 0.00 -0.00 0.00 0.00 29.97 30.41 1cd3 h ARG 76 CO 0.04 0.67 0.43 -0.09 -0.00 0.00 0.00 179.97 181.02 1cd3 h ARG 77 N 0.81 0.83 -0.07 0.08 2.43 -1.26 0.34 114.38 117.54 1cd3 h ARG 77 Ca 0.19 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.18 1cd3 h ARG 77 Cb 0.16 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1cd3 h ARG 77 CO -0.02 0.55 -0.48 0.35 -1.51 0.00 0.00 179.97 178.86 1cd3 h PHE 78 N 0.86 0.61 0.00 2.20 3.57 -0.66 -3.35 116.94 120.16 1cd3 h PHE 78 Ca 0.25 -0.29 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1cd3 h PHE 78 Cb -0.04 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.61 1cd3 h PHE 78 CO -0.04 1.07 0.00 0.78 -2.23 0.00 0.00 178.31 177.89 1cd3 h GLY 79 N -0.01 0.00 0.00 2.40 0.00 0.88 -3.47 103.07 102.86 1cd3 h GLY 79 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1cd3 h GLY 79 CO 0.10 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.25 1cd3 n GLY 80 N 0.41 1.58 3.64 4.60 0.00 0.05 -5.01 105.19 110.46 1cd3 n GLY 80 Ca 0.03 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 1cd3 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cd3 s ALA 81 N -0.95 -2.20 0.01 4.61 0.00 -0.82 -4.60 121.76 117.81 1cd3 s ALA 81 Ca 0.00 2.21 0.00 0.00 0.00 0.00 0.00 51.96 54.17 1cd3 s ALA 81 Cb 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.47 1cd3 s ALA 81 CO 0.00 -0.34 0.00 2.41 0.00 0.00 0.00 175.76 177.83 1cd3 n THR 82 N 3.68 0.00 0.00 0.00 -1.04 -1.26 -3.30 114.28 112.36 1cd3 n THR 82 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1cd3 n THR 82 Cb 0.58 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 1cd3 n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cd3 s ASP 84 N 0.00 6.01 0.00 0.00 2.15 -1.19 -4.70 116.67 118.95 1cd3 s ASP 84 Ca 0.00 2.80 0.00 0.00 0.43 0.00 0.00 52.55 55.78 1cd3 s ASP 84 Cb 0.00 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1cd3 s ASP 84 CO 0.00 -1.07 0.48 -0.67 -0.17 0.00 0.00 175.17 173.74 1cd3 n ASP 85 N -0.12 0.00 -0.35 -0.34 2.03 -1.26 0.63 116.55 117.14 1cd3 n ASP 85 Ca 0.05 0.48 0.05 0.00 0.52 0.00 0.00 54.79 55.89 1cd3 n ASP 85 Cb 0.43 -0.00 0.13 0.00 -0.72 0.00 0.00 41.12 40.95 1cd3 n ASP 85 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1cd3 n LYS 86 N -0.98 -0.10 0.50 -0.67 4.76 -1.26 -0.66 118.16 119.75 1cd3 n LYS 86 Ca 0.00 1.51 -0.20 0.00 -2.87 0.00 0.00 58.31 56.75 1cd3 n LYS 86 Cb 0.00 -2.26 -0.09 0.00 -1.84 0.00 0.00 35.03 30.84 1cd3 n LYS 86 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1cd3 h SER 87 N 0.00 -1.08 -0.74 4.39 4.64 -1.75 -2.87 113.55 116.14 1cd3 h SER 87 Ca 0.45 0.04 0.28 0.00 -0.47 0.00 0.00 61.79 62.09 1cd3 h SER 87 Cb 0.70 0.28 -0.13 0.00 -0.31 0.00 0.00 62.40 62.93 1cd3 h SER 87 CO -1.00 -0.76 0.30 0.00 -0.87 0.00 0.00 176.83 174.50 1cd3 n ALA 88 N -2.65 0.66 -0.10 5.18 0.00 0.20 0.25 120.51 124.05 1cd3 n ALA 88 Ca -0.16 0.76 -0.10 0.00 0.00 0.00 0.00 53.44 53.94 1cd3 n ALA 88 Cb 0.50 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 19.22 1cd3 n ALA 88 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1cd3 h GLN 89 N 0.00 0.48 -0.51 0.00 4.20 -1.16 -0.23 115.11 117.88 1cd3 h GLN 89 Ca 0.58 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 59.15 1cd3 h GLN 89 Cb 1.47 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.16 1cd3 h GLN 89 CO -0.60 0.55 0.19 0.82 -0.67 0.00 0.00 178.83 179.12 1cd3 h ILE 90 N 0.32 1.19 -0.00 2.54 2.04 0.35 0.19 117.51 124.13 1cd3 h ILE 90 Ca 0.09 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 1cd3 h ILE 90 Cb 0.29 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1cd3 h ILE 90 CO 0.00 0.24 -0.13 1.88 0.00 0.00 0.00 178.15 180.14 1cd3 h TYR 91 N 0.73 0.00 0.02 1.37 0.99 0.02 -2.05 116.97 118.06 1cd3 h TYR 91 Ca 0.18 -0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.90 1cd3 h TYR 91 Cb 0.16 -0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.89 1cd3 h TYR 91 CO 0.01 0.13 -0.01 0.00 -0.00 0.00 0.00 178.16 178.29 1cd3 h ALA 92 N 1.87 -0.03 -0.70 3.88 0.00 0.11 -3.28 119.26 121.11 1cd3 h ALA 92 Ca -0.00 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.92 1cd3 h ALA 92 Cb 0.23 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 1cd3 h ALA 92 CO 0.02 -0.42 0.32 -0.09 0.00 0.00 0.00 179.25 179.07 1cd3 h ARG 93 N -0.21 0.52 -6.05 0.00 2.43 -0.88 -3.46 114.38 106.73 1cd3 h ARG 93 Ca -0.00 -0.03 -0.79 0.00 -0.81 0.00 0.00 59.98 58.34 1cd3 h ARG 93 Cb 0.20 -0.12 0.04 0.00 -0.42 0.00 0.00 29.97 29.67 1cd3 h ARG 93 CO 0.00 0.34 0.33 0.34 -1.51 0.00 0.00 179.97 179.48 1cd3 n PHE 94 N -4.92 1.14 -3.62 2.20 7.35 -1.18 -4.95 117.46 113.49 1cd3 n PHE 94 Ca 0.11 0.98 -0.40 0.00 -0.76 0.00 0.00 57.45 57.39 1cd3 n PHE 94 Cb 0.31 -2.19 -0.11 0.00 0.35 0.00 0.00 39.48 37.84 1cd3 n PHE 94 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1cd3 s ASP 95 N 1.05 5.67 0.39 -2.13 2.15 -1.26 -4.96 116.67 117.59 1cd3 s ASP 95 Ca 0.94 -0.74 0.07 0.00 0.43 0.00 0.00 52.55 53.24 1cd3 s ASP 95 Cb -1.26 -2.02 0.38 0.00 -0.30 0.00 0.00 42.92 39.71 1cd3 s ASP 95 CO 0.62 -0.29 1.06 0.11 -0.17 0.00 0.00 175.17 176.50 1cd3 h LYS 96 N 8.40 0.00 0.00 4.34 1.57 -2.00 -0.74 116.57 128.15 1cd3 h LYS 96 Ca -0.29 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1cd3 h LYS 96 Cb 1.13 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 1cd3 h LYS 96 CO 0.64 0.00 -1.64 0.09 -0.57 0.00 0.00 179.45 177.97 1cd3 n ASN 97 N -2.03 1.87 -4.63 0.86 3.02 -1.26 -4.91 115.26 108.18 1cd3 n ASN 97 Ca -0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 1cd3 n ASN 97 Cb 0.60 1.59 -0.03 0.00 -0.61 0.00 0.00 39.78 41.33 1cd3 n ASN 97 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1cd3 s ASP 98 N -3.63 6.28 0.41 6.41 2.15 -0.29 -4.81 116.67 123.19 1cd3 s ASP 98 Ca -0.05 1.75 0.16 0.00 0.43 0.00 0.00 52.55 54.84 1cd3 s ASP 98 Cb 0.09 -2.53 0.89 0.00 -0.30 0.00 0.00 42.92 41.06 1cd3 s ASP 98 CO 0.57 -1.32 1.88 -0.50 -0.17 0.00 0.00 175.17 175.63 1cd3 h TRP 99 N 11.23 0.00 -4.09 -5.34 -0.00 -1.91 -3.45 115.95 112.39 1cd3 h TRP 99 Ca -0.36 0.00 -0.54 0.00 -0.00 0.00 0.00 58.89 57.99 1cd3 h TRP 99 Cb 1.17 0.00 0.13 0.00 -0.00 0.00 0.00 29.16 30.46 1cd3 h TRP 99 CO 0.92 0.30 0.51 1.03 -0.00 0.00 0.00 178.44 181.20 1cd3 s ARG 100 N -4.19 2.89 -0.43 0.49 0.52 -1.26 -4.85 118.95 112.12 1cd3 s ARG 100 Ca -0.03 1.96 -0.27 0.00 -0.52 0.00 0.00 55.73 56.87 1cd3 s ARG 100 Cb 0.14 -1.97 -0.07 0.00 0.52 0.00 0.00 34.95 33.57 1cd3 s ARG 100 CO 0.69 -1.31 2.36 -0.89 0.02 0.00 0.00 175.30 176.18 1cd3 n ILE 101 N -1.57 0.06 -1.92 1.52 5.41 -1.26 -4.96 119.36 116.64 1cd3 n ILE 101 Ca 0.14 -0.63 -0.29 0.00 1.00 0.00 0.00 62.75 62.97 1cd3 n ILE 101 Cb 0.48 -2.54 0.07 0.00 -0.71 0.00 0.00 39.64 36.94 1cd3 n ILE 101 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1cd3 s GLN 102 N 7.62 2.27 0.02 0.38 -0.21 -1.26 -5.00 119.66 123.48 1cd3 s GLN 102 Ca 1.02 0.19 0.17 0.00 0.02 0.00 0.00 55.36 56.76 1cd3 s GLN 102 Cb -0.32 -1.99 -0.17 0.00 1.00 0.00 0.00 33.01 31.53 1cd3 s GLN 102 CO 0.31 -1.39 0.71 -0.35 -2.12 0.00 0.00 175.29 172.46 1cd3 n PRO 103 N -3.19 0.63 0.08 2.91 -0.05 -1.26 -3.22 135.00 130.90 1cd3 n PRO 103 Ca 0.08 0.19 0.08 0.00 -0.05 0.00 0.00 63.50 63.79 1cd3 n PRO 103 Cb 0.60 -1.77 0.36 0.00 -0.05 0.00 0.00 33.50 32.64 1cd3 n PRO 103 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1cd3 n ALA 104 N -2.44 1.30 0.66 0.55 0.00 -1.26 0.10 120.51 119.42 1cd3 n ALA 104 Ca -0.12 0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.48 1cd3 n ALA 104 Cb 0.88 -1.23 0.40 0.00 0.00 0.00 0.00 19.45 19.50 1cd3 n ALA 104 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cd3 n GLU 105 N -1.90 0.03 -4.51 0.00 1.02 -1.20 -4.61 120.64 109.46 1cd3 n GLU 105 Ca 0.01 0.18 -0.34 0.00 -0.02 0.00 0.00 57.16 56.99 1cd3 n GLU 105 Cb 0.10 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.90 1cd3 n GLU 105 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1cd3 s PHE 106 N -2.96 2.97 0.00 -0.32 0.40 0.12 -5.04 117.98 113.15 1cd3 s PHE 106 Ca 0.10 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.16 1cd3 s PHE 106 Cb 0.12 -1.88 0.00 0.00 0.51 0.00 0.00 43.02 41.77 1cd3 s PHE 106 CO 0.33 0.03 0.00 2.48 0.70 0.00 0.00 175.22 178.76 1cd3 n TYR 107 N 3.20 0.00 -4.71 0.36 0.18 -1.25 -3.47 117.16 111.48 1cd3 n TYR 107 Ca -0.18 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.27 1cd3 n TYR 107 Cb 0.53 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.34 1cd3 n TYR 107 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1cd3 s ARG 108 N -2.00 3.27 0.05 -3.48 0.52 -1.23 -4.94 118.95 111.14 1cd3 s ARG 108 Ca 0.00 -0.74 -0.30 0.00 -0.52 0.00 0.00 55.73 54.17 1cd3 s ARG 108 Cb 0.00 -2.60 -0.04 0.00 0.52 0.00 0.00 34.95 32.83 1cd3 s ARG 108 CO 0.00 0.12 0.98 0.12 0.02 0.00 0.00 175.30 176.54 1cd3 s PHE 109 N 0.57 3.71 -0.11 -0.53 5.36 -1.26 -2.57 117.98 123.15 1cd3 s PHE 109 Ca -0.09 1.72 0.02 0.00 -0.96 0.00 0.00 56.93 57.62 1cd3 s PHE 109 Cb -0.16 -3.11 -0.01 0.00 -0.34 0.00 0.00 43.02 39.40 1cd3 s PHE 109 CO 0.03 0.01 -0.16 -1.01 -1.46 0.00 0.00 175.22 172.64 1cd3 s HIS 110 N 0.59 2.72 -0.31 10.12 3.76 -1.26 -5.00 115.29 125.91 1cd3 s HIS 110 Ca 0.50 -0.64 -0.00 0.00 -0.15 0.00 0.00 55.06 54.76 1cd3 s HIS 110 Cb -0.22 -1.77 0.10 0.00 1.11 0.00 0.00 32.58 31.80 1cd3 s HIS 110 CO 0.29 -0.19 0.10 0.34 -0.85 0.00 0.00 174.74 174.43 1cd3 s ASP 111 N 0.14 4.07 0.02 1.40 2.15 -1.26 -1.70 116.67 121.48 1cd3 s ASP 111 Ca -0.08 -1.69 -0.04 0.00 0.43 0.00 0.00 52.55 51.17 1cd3 s ASP 111 Cb -0.15 -0.91 -0.01 0.00 -0.30 0.00 0.00 42.92 41.55 1cd3 s ASP 111 CO 0.05 -0.41 0.33 0.00 -0.17 0.00 0.00 175.17 174.97 1cd3 n ALA 112 N 4.79 -0.08 -0.21 3.66 0.00 -1.26 -1.59 120.51 125.81 1cd3 n ALA 112 Ca -0.01 0.11 -0.05 0.00 0.00 0.00 0.00 53.44 53.48 1cd3 n ALA 112 Cb 0.42 0.05 -0.05 0.00 0.00 0.00 0.00 19.45 19.87 1cd3 n ALA 112 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1cd3 n GLU 113 N -3.30 -0.22 -0.18 0.00 2.13 -1.26 0.74 120.64 118.56 1cd3 n GLU 113 Ca 0.00 1.12 0.00 0.00 0.66 0.00 0.00 57.16 58.94 1cd3 n GLU 113 Cb 0.03 -1.65 0.25 0.00 0.27 0.00 0.00 31.44 30.34 1cd3 n GLU 113 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1cd3 h VAL 114 N 0.00 1.19 -0.08 6.31 3.04 -1.57 0.48 116.25 125.62 1cd3 h VAL 114 Ca 0.08 -0.44 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 1cd3 h VAL 114 Cb 0.20 0.25 -0.01 0.00 -2.01 0.00 0.00 31.29 29.73 1cd3 h VAL 114 CO -0.46 0.20 0.04 -1.13 -1.01 0.00 0.00 177.57 175.21 1cd3 h ASN 115 N 0.93 0.07 0.03 3.17 -0.73 0.82 0.68 115.58 120.55 1cd3 h ASN 115 Ca 0.24 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.41 1cd3 h ASN 115 Cb -0.02 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.55 1cd3 h ASN 115 CO -0.04 0.05 -0.02 0.71 -0.37 0.00 0.00 177.43 177.77 1cd3 h THR 116 N 0.10 0.00 0.00 -3.57 1.35 0.87 -3.38 112.91 108.27 1cd3 h THR 116 Ca 0.03 -0.38 -0.10 0.00 -0.55 0.00 0.00 66.41 65.41 1cd3 h THR 116 Cb -0.00 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.40 1cd3 h THR 116 CO -0.02 0.00 -0.49 -0.26 -0.25 0.00 0.00 175.52 174.50 1cd3 h PHE 117 N -0.42 0.00 0.00 4.73 -1.00 -0.19 -3.47 116.94 116.59 1cd3 h PHE 117 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1cd3 h PHE 117 Cb 0.03 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.59 1cd3 h PHE 117 CO 0.01 0.49 0.00 0.41 -1.61 0.00 0.00 178.31 177.61 1cd3 n GLY 118 N 0.33 0.71 3.64 -1.45 0.00 0.24 -4.97 105.19 103.68 1cd3 n GLY 118 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1cd3 n GLY 118 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1cd3 s TYR 119 N -2.44 -1.21 -1.60 1.61 -0.85 -1.26 -4.88 117.35 106.72 1cd3 s TYR 119 Ca 0.00 2.24 0.00 0.00 -0.52 0.00 0.00 57.07 58.79 1cd3 s TYR 119 Cb 0.00 0.73 0.00 0.00 0.38 0.00 0.00 41.96 43.07 1cd3 s TYR 119 CO 0.00 -0.60 0.40 1.19 -1.52 0.00 0.00 175.55 175.02