#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ysh s VAL 66 N 0.00 1.68 0.28 -3.33 -7.23 -1.26 -5.09 120.40 105.45 1ysh s VAL 66 Ca 0.00 -0.96 -0.02 0.00 -1.81 0.00 0.00 61.98 59.19 1ysh s VAL 66 Cb 0.00 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 1ysh s VAL 66 CO 0.00 0.24 0.50 0.42 -0.31 0.00 0.00 175.10 175.95 1ysh s THR 67 N 1.39 5.11 0.51 5.32 -4.23 -1.26 -4.97 115.64 117.51 1ysh s THR 67 Ca 0.00 -0.23 0.26 0.00 -1.18 0.00 0.00 61.69 60.54 1ysh s THR 67 Cb -0.15 -3.77 0.42 0.00 1.34 0.00 0.00 72.50 70.34 1ysh s THR 67 CO -0.09 -0.34 1.94 1.23 -0.54 0.00 0.00 174.62 176.82 1ysh h GLY 68 N 1.53 0.16 0.57 3.99 0.00 -1.98 -1.51 103.07 105.84 1ysh h GLY 68 Ca -0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1ysh h GLY 68 CO 0.65 0.01 -0.03 1.48 0.00 0.00 0.00 176.54 178.65 1ysh h SER 69 N 0.09 0.08 0.76 0.19 4.64 -2.00 -2.26 113.55 115.05 1ysh h SER 69 Ca 0.35 -0.48 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1ysh h SER 69 Cb 1.26 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1ysh h SER 69 CO -0.03 0.54 0.00 0.29 -0.87 0.00 0.00 176.83 176.76 1ysh n LYS 70 N -4.80 0.03 0.04 4.77 5.02 -0.62 -1.80 118.16 120.80 1ysh n LYS 70 Ca -0.08 0.17 -0.21 0.00 -2.02 0.00 0.00 58.31 56.17 1ysh n LYS 70 Cb 0.27 -1.55 -0.14 0.00 -0.02 0.00 0.00 35.03 33.58 1ysh n LYS 70 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1ysh h ILE 71 N 0.00 1.25 0.00 -0.18 1.08 -1.18 -3.26 117.51 115.21 1ysh h ILE 71 Ca 0.00 -2.48 -0.11 0.00 -0.39 0.00 0.00 64.86 61.88 1ysh h ILE 71 Cb 0.38 2.94 -0.02 0.00 -3.07 0.00 0.00 36.82 37.05 1ysh h ILE 71 CO 0.00 0.72 -0.52 -0.07 -0.69 0.00 0.00 178.15 177.59 1ysh h LEU 72 N -0.30 0.00 -0.82 1.44 3.38 -0.81 0.22 115.31 118.42 1ysh h LEU 72 Ca -0.23 0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.91 1ysh h LEU 72 Cb 1.74 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 42.34 1ysh h LEU 72 CO 0.11 0.52 -0.16 -0.09 0.09 0.00 0.00 178.44 178.91 1ysh h ARG 73 N 0.00 0.01 0.01 1.13 1.12 -1.45 0.35 114.38 115.55 1ysh h ARG 73 Ca -0.01 -0.00 -0.20 0.00 -1.11 0.00 0.00 59.98 58.67 1ysh h ARG 73 Cb 1.16 -0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 31.09 1ysh h ARG 73 CO 0.07 0.01 -0.92 0.82 -3.11 0.00 0.00 179.97 176.83 1ysh h ILE 74 N 0.01 1.62 -0.38 1.20 1.08 -1.02 -2.80 117.51 117.22 1ysh h ILE 74 Ca 0.41 -3.03 -0.07 0.00 -0.39 0.00 0.00 64.86 61.77 1ysh h ILE 74 Cb 0.66 2.66 -0.01 0.00 -3.07 0.00 0.00 36.82 37.06 1ysh h ILE 74 CO -0.82 0.87 -0.05 0.25 -0.69 0.00 0.00 178.15 177.71 1ysh h LEU 75 N 0.02 0.71 -1.38 1.44 6.46 -0.54 -2.66 115.31 119.36 1ysh h LEU 75 Ca -0.02 -0.34 -0.01 0.00 -0.12 0.00 0.00 57.88 57.39 1ysh h LEU 75 Cb 1.61 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 41.35 1ysh h LEU 75 CO 0.13 0.88 -0.03 0.50 -0.62 0.00 0.00 178.44 179.30 1ysh h LYS 76 N 0.52 0.00 0.00 1.25 1.63 -0.69 0.49 116.57 119.78 1ysh h LYS 76 Ca 0.10 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.72 1ysh h LYS 76 Cb 0.55 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.16 1ysh h LYS 76 CO 0.03 0.03 -0.84 0.00 -3.45 0.00 0.00 179.45 175.21 1ysh h ALA 77 N 1.97 0.60 -0.00 5.00 0.00 -1.38 -3.32 119.26 122.13 1ysh h ALA 77 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1ysh h ALA 77 Cb 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ysh h ALA 77 CO 0.00 0.98 -0.06 0.72 0.00 0.00 0.00 179.25 180.90 1ysh n HIS 78 N -3.60 0.00 -0.76 0.00 8.25 -0.84 -5.01 115.22 113.26 1ysh n HIS 78 Ca -0.02 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.13 1ysh n HIS 78 Cb 0.80 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.83 1ysh n HIS 78 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ysh n GLY 79 N 0.86 -0.14 3.53 -1.41 0.00 0.11 -4.31 105.19 103.83 1ysh n GLY 79 Ca 0.00 0.65 -0.48 0.00 0.00 0.00 0.00 46.02 46.19 1ysh n GLY 79 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ysh n LEU 80 N 4.77 2.70 -1.23 0.99 4.77 -1.21 -5.04 117.00 122.74 1ysh n LEU 80 Ca 0.33 0.44 0.08 0.00 -0.03 0.00 0.00 56.01 56.83 1ysh n LEU 80 Cb -0.01 -1.37 0.31 0.00 -2.33 0.00 0.00 43.42 40.02 1ysh n LEU 80 CO 0.51 -0.61 0.77 0.00 -1.33 0.00 0.00 177.39 176.73 1ysh n ALA 81 N 9.89 3.30 0.23 -1.18 0.00 -1.26 -4.70 120.51 126.78 1ysh n ALA 81 Ca 0.35 -2.19 0.12 0.00 0.00 0.00 0.00 53.44 51.72 1ysh n ALA 81 Cb 0.31 -0.85 0.39 0.00 0.00 0.00 0.00 19.45 19.30 1ysh n ALA 81 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ysh h PRO 82 N 2.54 0.00 0.00 0.00 0.13 -2.02 -3.48 132.00 129.17 1ysh h PRO 82 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ysh h PRO 82 Cb 1.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.76 1ysh h PRO 82 CO 0.31 0.12 0.00 0.39 -0.23 0.00 0.00 178.00 178.59 1ysh n GLU 83 N -3.19 0.00 0.00 0.86 1.02 -1.26 -5.24 120.64 112.83 1ysh n GLU 83 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1ysh n GLU 83 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.88 1ysh n GLU 83 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1ysh n ILE 84 N -0.14 0.00 0.19 -3.67 5.41 -1.26 -4.80 119.36 115.08 1ysh n ILE 84 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1ysh n ILE 84 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1ysh n ILE 84 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1ysh n PRO 85 N 0.00 0.02 0.00 0.38 -0.04 -1.26 0.21 135.00 134.31 1ysh n PRO 85 Ca 0.00 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 1ysh n PRO 85 Cb 0.00 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 1ysh n PRO 85 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ysh n GLU 86 N -1.77 0.00 -0.24 0.54 4.71 -1.26 -4.19 120.64 118.43 1ysh n GLU 86 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1ysh n GLU 86 Cb 0.73 0.00 0.12 0.00 -1.01 0.00 0.00 31.44 31.28 1ysh n GLU 86 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 1ysh h ASP 87 N 0.00 0.47 -0.05 1.62 1.82 0.21 0.14 116.42 120.63 1ysh h ASP 87 Ca 0.00 0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.66 1ysh h ASP 87 Cb 0.00 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 39.98 1ysh h ASP 87 CO 0.00 0.28 -0.07 0.25 -1.61 0.00 0.00 179.24 178.09 1ysh h LEU 88 N 0.61 0.15 -0.92 2.28 5.85 -1.82 -2.47 115.31 119.00 1ysh h LEU 88 Ca 0.33 -0.53 -0.09 0.00 0.84 0.00 0.00 57.88 58.43 1ysh h LEU 88 Cb 0.31 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1ysh h LEU 88 CO -0.24 0.65 -0.22 1.88 -0.34 0.00 0.00 178.44 180.17 1ysh h TYR 89 N -0.34 0.60 -0.55 1.25 -1.99 -1.65 -0.27 116.97 114.02 1ysh h TYR 89 Ca 0.01 -0.12 -0.07 0.00 2.00 0.00 0.00 58.73 60.54 1ysh h TYR 89 Cb 0.62 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 39.17 1ysh h TYR 89 CO 0.11 0.72 0.05 0.35 -0.00 0.00 0.00 178.16 179.39 1ysh h PHE 90 N 0.48 0.95 0.00 4.88 3.57 -0.68 -1.41 116.94 124.74 1ysh h PHE 90 Ca 0.07 -0.13 -0.17 0.00 3.53 0.00 0.00 57.97 61.28 1ysh h PHE 90 Cb 0.65 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1ysh h PHE 90 CO 0.02 0.84 -0.80 -0.07 -2.23 0.00 0.00 178.31 176.07 1ysh h LEU 91 N 0.85 0.00 -0.58 0.59 3.38 -0.68 -2.23 115.31 116.63 1ysh h LEU 91 Ca 0.17 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.16 1ysh h LEU 91 Cb 0.43 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1ysh h LEU 91 CO 0.01 0.80 0.36 0.40 0.09 0.00 0.00 178.44 180.11 1ysh h ILE 92 N 0.00 1.08 0.00 1.22 1.08 -0.66 0.24 117.51 120.47 1ysh h ILE 92 Ca -0.01 -0.25 -0.01 0.00 -0.39 0.00 0.00 64.86 64.21 1ysh h ILE 92 Cb 1.56 0.30 -0.00 0.00 -3.07 0.00 0.00 36.82 35.61 1ysh h ILE 92 CO 0.10 0.13 -0.04 0.50 -0.69 0.00 0.00 178.15 178.15 1ysh h LYS 93 N 0.72 0.00 0.00 2.37 3.64 -0.82 0.15 116.57 122.62 1ysh h LYS 93 Ca 0.23 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1ysh h LYS 93 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1ysh h LYS 93 CO -0.09 0.04 -0.19 -0.22 -2.27 0.00 0.00 179.45 176.73 1ysh h LYS 94 N 0.00 0.00 -0.52 1.90 3.64 -0.60 -3.14 116.57 117.85 1ysh h LYS 94 Ca -0.00 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 1ysh h LYS 94 Cb 0.14 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.88 1ysh h LYS 94 CO 0.01 0.75 0.10 0.00 -2.27 0.00 0.00 179.45 178.04 1ysh h ALA 95 N -0.31 0.58 -0.77 5.00 0.00 0.06 -1.08 119.26 122.74 1ysh h ALA 95 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ysh h ALA 95 Cb 0.81 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1ysh h ALA 95 CO -0.03 -0.31 0.48 -0.24 0.00 0.00 0.00 179.25 179.15 1ysh h VAL 96 N 0.24 1.21 0.00 0.00 3.04 -0.82 0.16 116.25 120.07 1ysh h VAL 96 Ca 0.26 -0.43 -0.07 0.00 -1.01 0.00 0.00 66.70 65.46 1ysh h VAL 96 Cb 0.36 0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 29.73 1ysh h VAL 96 CO -0.35 0.21 -0.90 0.00 -1.01 0.00 0.00 177.57 175.53 1ysh h ALA 97 N 1.48 0.65 0.11 3.17 0.00 -1.19 -2.25 119.26 121.23 1ysh h ALA 97 Ca 0.28 -0.33 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 1ysh h ALA 97 Cb -0.07 0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ysh h ALA 97 CO -0.06 0.38 -0.90 0.82 0.00 0.00 0.00 179.25 179.50 1ysh h ILE 98 N 0.00 1.43 -0.76 0.00 1.08 -0.67 -2.05 117.51 116.53 1ysh h ILE 98 Ca -0.05 -2.41 0.04 0.00 -0.39 0.00 0.00 64.86 62.04 1ysh h ILE 98 Cb 1.24 2.93 -0.05 0.00 -3.07 0.00 0.00 36.82 37.88 1ysh h ILE 98 CO 0.02 0.70 0.48 0.03 -0.69 0.00 0.00 178.15 178.69 1ysh h ARG 99 N -0.13 0.89 -0.07 2.37 3.08 -0.63 0.11 114.38 120.00 1ysh h ARG 99 Ca -0.14 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.79 1ysh h ARG 99 Cb 1.65 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.49 1ysh h ARG 99 CO 0.17 0.59 -0.27 -0.22 -1.07 0.00 0.00 179.97 179.17 1ysh h LYS 100 N 0.91 0.12 -0.26 0.04 3.11 -1.40 0.07 116.57 119.17 1ysh h LYS 100 Ca 0.31 -0.04 -0.12 0.00 -2.81 0.00 0.00 60.65 57.99 1ysh h LYS 100 Cb 0.06 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.28 1ysh h LYS 100 CO -0.13 0.39 -0.32 1.25 -2.81 0.00 0.00 179.45 177.83 1ysh h HIS 101 N 0.11 0.81 -0.02 1.91 2.76 -0.26 -2.65 115.15 117.82 1ysh h HIS 101 Ca 0.02 -0.26 0.00 0.00 -2.20 0.00 0.00 60.37 57.93 1ysh h HIS 101 Cb 0.54 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.34 1ysh h HIS 101 CO 0.00 1.00 0.00 1.28 -1.30 0.00 0.00 177.93 178.92 1ysh n LEU 102 N -4.27 0.52 0.13 0.26 7.99 0.19 -2.04 117.00 119.79 1ysh n LEU 102 Ca -0.05 -0.19 -0.02 0.00 -0.01 0.00 0.00 56.01 55.75 1ysh n LEU 102 Cb 0.49 -0.01 0.16 0.00 -0.11 0.00 0.00 43.42 43.94 1ysh n LEU 102 CO 0.45 0.09 0.48 -0.08 -1.51 0.00 0.00 177.39 176.82 1ysh h GLU 103 N 0.78 0.02 0.00 3.23 4.22 -0.61 -3.40 114.58 118.82 1ysh h GLU 103 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1ysh h GLU 103 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1ysh h GLU 103 CO 0.00 0.64 0.00 0.54 -2.18 0.00 0.00 179.01 178.01 1ysh n ARG 104 N -3.79 1.49 -3.89 1.92 5.12 -0.86 -4.73 116.66 111.91 1ysh n ARG 104 Ca -0.01 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.66 1ysh n ARG 104 Cb 0.63 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.92 1ysh n ARG 104 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1ysh n ASN 105 N -2.25 -0.75 0.00 0.55 5.15 -1.26 -4.76 115.26 111.94 1ysh n ASN 105 Ca 0.00 -0.95 0.03 0.00 -0.60 0.00 0.00 54.58 53.06 1ysh n ASN 105 Cb 0.00 -3.34 0.18 0.00 -0.53 0.00 0.00 39.78 36.10 1ysh n ASN 105 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1ysh n ARG 106 N -4.37 0.68 -0.00 1.20 3.00 -1.26 -3.05 116.66 112.85 1ysh n ARG 106 Ca -0.29 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.56 1ysh n ARG 106 Cb 0.67 -1.14 0.00 0.00 0.00 0.00 0.00 32.46 31.99 1ysh n ARG 106 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1ysh n LYS 107 N -0.64 2.90 -3.71 5.56 0.00 -1.26 -4.83 118.16 116.18 1ysh n LYS 107 Ca 0.05 -1.50 -0.38 0.00 -0.00 0.00 0.00 58.31 56.48 1ysh n LYS 107 Cb 0.02 -1.00 -0.11 0.00 -0.00 0.00 0.00 35.03 33.95 1ysh n LYS 107 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1ysh s ASP 108 N -1.01 5.39 -0.01 -5.58 -1.08 -1.17 -4.81 116.67 108.40 1ysh s ASP 108 Ca 0.01 -1.82 0.21 0.00 -0.52 0.00 0.00 52.55 50.43 1ysh s ASP 108 Cb 0.00 -1.89 -0.26 0.00 -1.46 0.00 0.00 42.92 39.32 1ysh s ASP 108 CO 0.00 -0.54 0.54 2.29 0.52 0.00 0.00 175.17 177.98 1ysh n LYS 109 N 4.73 0.65 -0.09 4.34 0.00 -1.26 -3.22 118.16 123.31 1ysh n LYS 109 Ca -0.06 -0.09 -0.20 0.00 -0.00 0.00 0.00 58.31 57.96 1ysh n LYS 109 Cb 0.42 -1.59 -0.12 0.00 -0.00 0.00 0.00 35.03 33.73 1ysh n LYS 109 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1ysh h ASP 110 N 0.00 0.02 0.99 -5.58 2.03 -2.00 -1.86 116.42 110.02 1ysh h ASP 110 Ca -0.09 -0.65 -0.02 0.00 -0.73 0.00 0.00 57.03 55.54 1ysh h ASP 110 Cb 1.21 -0.01 -0.00 0.00 -0.83 0.00 0.00 39.33 39.70 1ysh h ASP 110 CO 0.01 1.37 -0.09 0.77 -1.03 0.00 0.00 179.24 180.27 1ysh h SER 111 N -0.96 0.00 -0.26 4.15 4.64 -1.98 -1.20 113.55 117.94 1ysh h SER 111 Ca -0.26 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.01 1ysh h SER 111 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1ysh h SER 111 CO -0.14 0.09 -0.00 0.50 -0.87 0.00 0.00 176.83 176.40 1ysh h LYS 112 N 0.00 0.58 0.00 4.77 3.64 -1.48 -0.87 116.57 123.21 1ysh h LYS 112 Ca -0.00 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1ysh h LYS 112 Cb 0.61 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1ysh h LYS 112 CO 0.01 0.60 -0.11 0.74 -2.27 0.00 0.00 179.45 178.43 1ysh h PHE 113 N 0.55 0.00 0.00 1.91 0.04 -0.37 -0.07 116.94 119.01 1ysh h PHE 113 Ca 0.12 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 1ysh h PHE 113 Cb 0.36 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.50 1ysh h PHE 113 CO 0.01 0.11 -0.11 0.00 -0.60 0.00 0.00 178.31 177.72 1ysh h ARG 114 N 0.00 0.00 -0.01 1.51 -0.00 -1.10 -2.62 114.38 112.16 1ysh h ARG 114 Ca -0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 59.36 1ysh h ARG 114 Cb 0.20 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.18 1ysh h ARG 114 CO 0.01 0.11 -0.46 1.25 0.00 0.00 0.00 179.97 180.88 1ysh h LEU 115 N 0.00 0.42 -0.87 3.04 6.46 -0.55 -2.07 115.31 121.74 1ysh h LEU 115 Ca -0.00 -0.76 0.08 0.00 -0.12 0.00 0.00 57.88 57.08 1ysh h LEU 115 Cb 0.99 -0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 40.73 1ysh h LEU 115 CO 0.01 1.12 0.53 0.40 -0.62 0.00 0.00 178.44 179.88 1ysh h ILE 116 N -0.24 0.99 0.00 4.05 2.04 -1.11 0.77 117.51 124.00 1ysh h ILE 116 Ca -0.06 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1ysh h ILE 116 Cb 1.19 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1ysh h ILE 116 CO 0.09 0.17 0.00 -0.07 0.00 0.00 0.00 178.15 178.34 1ysh h LEU 117 N 0.92 0.00 -0.06 1.44 3.38 -1.42 -1.50 115.31 118.07 1ysh h LEU 117 Ca 0.40 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.20 1ysh h LEU 117 Cb 0.26 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.02 1ysh h LEU 117 CO -0.21 0.00 -0.61 1.62 0.09 0.00 0.00 178.44 179.34 1ysh h VAL 118 N 0.00 1.37 -0.36 1.22 3.04 -0.16 -2.46 116.25 118.91 1ysh h VAL 118 Ca 0.00 -1.97 -0.10 0.00 -1.01 0.00 0.00 66.70 63.62 1ysh h VAL 118 Cb 0.85 2.35 -0.01 0.00 -2.01 0.00 0.00 31.29 32.47 1ysh h VAL 118 CO 0.00 0.59 -0.17 -0.08 -1.01 0.00 0.00 177.57 176.90 1ysh h GLU 119 N 0.09 0.74 -0.68 4.17 4.57 -1.01 -1.13 114.58 121.33 1ysh h GLU 119 Ca -0.06 -0.33 0.09 0.00 -1.18 0.00 0.00 59.36 57.89 1ysh h GLU 119 Cb 1.28 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.77 1ysh h GLU 119 CO 0.12 0.94 0.33 0.77 -1.18 0.00 0.00 179.01 179.98 1ysh h SER 120 N 0.53 0.41 0.05 1.04 0.02 -1.32 -2.07 113.55 112.21 1ysh h SER 120 Ca 0.08 0.06 -0.17 0.00 -0.84 0.00 0.00 61.79 60.92 1ysh h SER 120 Cb 0.71 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.24 1ysh h SER 120 CO 0.05 0.24 -0.61 -0.09 -1.14 0.00 0.00 176.83 175.28 1ysh h ARG 121 N 0.56 0.56 0.00 3.45 2.43 -0.75 -2.42 114.38 118.22 1ysh h ARG 121 Ca 0.34 -0.38 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1ysh h ARG 121 Cb 0.36 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1ysh h ARG 121 CO -0.27 1.00 -0.11 0.82 -1.51 0.00 0.00 179.97 179.90 1ysh h ILE 122 N 0.42 0.73 -0.51 1.20 2.04 -1.00 -0.50 117.51 119.89 1ysh h ILE 122 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.91 1ysh h ILE 122 Cb 1.17 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1ysh h ILE 122 CO 0.11 0.00 0.34 0.45 0.00 0.00 0.00 178.15 179.06 1ysh h HIS 123 N -0.19 0.46 0.03 1.37 3.86 -0.98 -1.12 115.15 118.58 1ysh h HIS 123 Ca 0.04 0.01 -0.22 0.00 -1.16 0.00 0.00 60.37 59.04 1ysh h HIS 123 Cb 0.24 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1ysh h HIS 123 CO -0.17 0.25 -1.04 0.00 0.86 0.00 0.00 177.93 177.83 1ysh h ARG 124 N 0.46 0.09 -0.53 2.45 -0.00 -0.67 0.07 114.38 116.25 1ysh h ARG 124 Ca 0.22 -0.14 -0.12 0.00 -0.50 0.00 0.00 59.98 59.45 1ysh h ARG 124 Cb 0.29 0.05 -0.02 0.00 0.00 0.00 0.00 29.97 30.29 1ysh h ARG 124 CO -0.06 1.04 -0.13 -0.07 0.00 0.00 0.00 179.97 180.75 1ysh h LEU 125 N 0.03 1.03 -0.19 3.04 3.38 -0.70 -0.54 115.31 121.36 1ysh h LEU 125 Ca -0.04 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 1ysh h LEU 125 Cb 1.77 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 1ysh h LEU 125 CO 0.15 1.15 0.02 0.00 0.09 0.00 0.00 178.44 179.84 1ysh h ALA 126 N 0.93 0.26 -0.46 1.53 0.00 -0.79 -0.15 119.26 120.57 1ysh h ALA 126 Ca 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ysh h ALA 126 Cb 0.70 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1ysh h ALA 126 CO 0.05 -0.05 0.07 0.00 0.00 0.00 0.00 179.25 179.32 1ysh h ARG 127 N 0.10 0.71 0.40 0.00 2.47 -0.94 0.15 114.38 117.29 1ysh h ARG 127 Ca 0.06 -0.15 -0.02 0.00 -1.26 0.00 0.00 59.98 58.61 1ysh h ARG 127 Cb 0.35 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1ysh h ARG 127 CO 0.01 0.68 -0.20 -0.92 0.56 0.00 0.00 179.97 180.10 1ysh h TYR 128 N 0.69 -0.52 -0.24 3.04 3.20 -0.84 -2.38 116.97 119.92 1ysh h TYR 128 Ca 0.15 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1ysh h TYR 128 Cb 0.32 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1ysh h TYR 128 CO 0.02 -0.32 0.13 -0.92 -1.64 0.00 0.00 178.16 175.42 1ysh h TYR 129 N -0.55 0.34 -0.18 -3.82 -0.00 -0.17 -0.21 116.97 112.38 1ysh h TYR 129 Ca -0.05 -0.01 0.05 0.00 -0.00 0.00 0.00 58.73 58.72 1ysh h TYR 129 Cb 0.43 -0.11 -0.01 0.00 -0.00 0.00 0.00 36.73 37.04 1ysh h TYR 129 CO -0.05 0.30 0.18 -0.22 -0.00 0.00 0.00 178.16 178.37 1ysh h LYS 130 N 0.27 0.00 0.00 1.82 1.63 -0.55 -1.36 116.57 118.38 1ysh h LYS 130 Ca 0.08 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.69 1ysh h LYS 130 Cb 0.08 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.68 1ysh h LYS 130 CO -0.01 0.00 -1.21 -2.13 -3.45 0.00 0.00 179.45 172.65 1ysh n ARG 131 N -3.95 0.54 -0.05 1.90 0.63 -0.81 -3.57 116.66 111.35 1ysh n ARG 131 Ca 0.02 0.53 0.01 0.00 -0.92 0.00 0.00 57.85 57.49 1ysh n ARG 131 Cb 0.31 -1.70 0.04 0.00 0.45 0.00 0.00 32.46 31.55 1ysh n ARG 131 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1ysh n THR 132 N -4.46 0.13 -3.69 5.15 -2.24 -0.15 -4.50 114.28 104.52 1ysh n THR 132 Ca -0.28 -0.12 -0.14 0.00 -2.27 0.00 0.00 64.05 61.24 1ysh n THR 132 Cb 0.60 0.01 -0.09 0.00 -2.10 0.00 0.00 70.33 68.75 1ysh n THR 132 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ysh s LYS 133 N -1.82 0.66 0.03 -0.78 1.02 -0.64 -5.08 119.74 113.13 1ysh s LYS 133 Ca 0.06 0.49 0.25 0.00 0.02 0.00 0.00 55.97 56.79 1ysh s LYS 133 Cb 0.03 0.32 0.56 0.00 -0.52 0.00 0.00 37.83 38.22 1ysh s LYS 133 CO 0.04 -0.12 1.46 1.17 -0.92 0.00 0.00 175.35 176.97 1ysh n LYS 134 N 2.30 0.06 -0.04 1.68 0.00 -1.25 -4.10 118.16 116.82 1ysh n LYS 134 Ca -0.16 0.02 -0.02 0.00 0.00 0.00 0.00 58.31 58.15 1ysh n LYS 134 Cb 0.56 -1.54 -0.01 0.00 0.00 0.00 0.00 35.03 34.05 1ysh n LYS 134 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1ysh h LEU 135 N 0.00 0.00 -1.61 3.14 6.46 -1.93 -3.37 115.31 117.99 1ysh h LEU 135 Ca 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 1ysh h LEU 135 Cb 0.55 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1ysh h LEU 135 CO 0.00 0.41 -0.16 -0.65 -0.62 0.00 0.00 178.44 177.42 1ysh h PRO 136 N -0.60 0.00 0.00 5.25 0.10 -1.85 -2.54 132.00 132.37 1ysh h PRO 136 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.10 1ysh h PRO 136 Cb 0.22 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.32 1ysh h PRO 136 CO 0.00 0.16 0.00 -2.30 0.10 0.00 0.00 178.00 175.96 1ysh n PRO 137 N -3.52 0.23 0.00 1.05 -0.01 -1.26 -2.38 135.00 129.11 1ysh n PRO 137 Ca -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 63.50 63.49 1ysh n PRO 137 Cb 0.31 -1.50 0.00 0.00 -0.01 0.00 0.00 33.50 32.30 1ysh n PRO 137 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 175.50 177.90 1ysh n THR 138 N -1.39 0.00 -0.19 3.45 -1.04 -0.95 -2.24 114.28 111.92 1ysh n THR 138 Ca 0.11 1.23 -0.03 0.00 -2.04 0.00 0.00 64.05 63.31 1ysh n THR 138 Cb 0.28 -2.03 0.07 0.00 -1.82 0.00 0.00 70.33 66.83 1ysh n THR 138 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 1ysh h TRP 139 N 0.00 0.57 -0.53 -1.42 7.01 -1.69 -1.99 115.95 117.89 1ysh h TRP 139 Ca 0.00 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.04 1ysh h TRP 139 Cb 0.00 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 26.86 1ysh h TRP 139 CO -0.11 0.28 0.35 -0.22 -2.79 0.00 0.00 178.44 175.96 1ysh h LYS 140 N 0.59 0.67 0.00 2.65 3.64 -1.54 0.18 116.57 122.75 1ysh h LYS 140 Ca 0.25 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 1ysh h LYS 140 Cb 0.14 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1ysh h LYS 140 CO -0.16 0.44 -0.44 1.88 -2.27 0.00 0.00 179.45 178.91 1ysh h TYR 141 N 0.69 0.00 0.07 1.91 0.05 -0.89 -2.62 116.97 116.17 1ysh h TYR 141 Ca 0.20 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.72 1ysh h TYR 141 Cb -0.02 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 1ysh h TYR 141 CO -0.00 0.44 -1.37 0.93 -1.05 0.00 0.00 178.16 177.10 1ysh h GLU 142 N 0.00 0.15 0.00 4.88 5.08 -1.10 -2.10 114.58 121.50 1ysh h GLU 142 Ca -0.00 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1ysh h GLU 142 Cb 1.15 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1ysh h GLU 142 CO 0.06 1.12 0.00 0.66 -1.00 0.00 0.00 179.01 179.85 1ysh h SER 143 N -0.51 0.00 0.30 1.42 4.64 -0.66 -0.32 113.55 118.41 1ysh h SER 143 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1ysh h SER 143 Cb 1.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 1ysh h SER 143 CO -0.03 0.00 -0.15 0.35 -0.87 0.00 0.00 176.83 176.14 1ysh n THR 144 N -2.85 0.00 -3.88 2.95 -2.24 -1.00 -4.92 114.28 102.34 1ysh n THR 144 Ca 0.01 -0.09 -0.26 0.00 -2.27 0.00 0.00 64.05 61.45 1ysh n THR 144 Cb 0.31 0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.61 1ysh n THR 144 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ysh n THR 145 N -0.80 -3.63 -4.37 4.28 -1.04 -0.13 -4.95 114.28 103.64 1ysh n THR 145 Ca 0.14 -0.56 -0.26 0.00 -2.04 0.00 0.00 64.05 61.33 1ysh n THR 145 Cb 0.30 -3.03 -0.12 0.00 -1.82 0.00 0.00 70.33 65.66 1ysh n THR 145 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ysh s ALA 146 N -3.85 2.27 0.00 2.41 0.00 -0.79 -4.90 121.76 116.89 1ysh s ALA 146 Ca 0.07 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.52 1ysh s ALA 146 Cb -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1ysh s ALA 146 CO 0.88 0.40 0.00 0.43 0.00 0.00 0.00 175.76 177.47 1ysh n SER 147 N 0.55 0.00 0.00 0.00 7.64 -1.26 -4.64 113.62 115.91 1ysh n SER 147 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1ysh n SER 147 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1ysh n SER 147 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44