#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lys s ILE 56 N 0.00 0.89 -0.34 0.52 1.10 -1.20 -4.90 121.20 117.27 3lys s ILE 56 Ca 0.00 -1.67 -0.04 0.00 -0.51 0.00 0.00 60.65 58.43 3lys s ILE 56 Cb 0.00 -1.66 0.06 0.00 0.15 0.00 0.00 42.46 41.01 3lys s ILE 56 CO 0.00 -0.76 0.09 -0.54 -2.11 0.00 0.00 174.94 171.62 3lys s LYS 57 N 1.29 2.41 -0.09 3.50 -0.14 -1.26 -4.06 119.74 121.39 3lys s LYS 57 Ca 0.12 -1.36 -0.33 0.00 -1.36 0.00 0.00 55.97 53.05 3lys s LYS 57 Cb -0.19 -3.38 0.13 0.00 -1.68 0.00 0.00 37.83 32.71 3lys s LYS 57 CO -0.17 -0.74 1.26 -1.14 -0.76 0.00 0.00 175.35 173.80 3lys s GLN 58 N 1.29 0.35 0.21 1.68 0.74 -1.26 -5.05 119.66 117.62 3lys s GLN 58 Ca -0.01 -0.17 -0.30 0.00 0.05 0.00 0.00 55.36 54.93 3lys s GLN 58 Cb -0.20 0.14 -0.08 0.00 1.10 0.00 0.00 33.01 33.96 3lys s GLN 58 CO -0.00 -0.16 0.94 -1.21 -0.55 0.00 0.00 175.29 174.31 3lys s GLU 59 N -2.41 4.82 0.19 1.67 2.02 -1.26 -0.79 118.70 122.94 3lys s GLU 59 Ca 0.12 1.48 -0.13 0.00 0.02 0.00 0.00 54.97 56.46 3lys s GLU 59 Cb 0.02 -3.30 0.20 0.00 0.10 0.00 0.00 34.13 31.15 3lys s GLU 59 CO -0.04 0.47 1.71 0.97 0.02 0.00 0.00 175.26 178.39 3lys h ILE 60 N 3.31 0.70 0.37 -1.63 6.09 -1.06 -0.83 117.51 124.47 3lys h ILE 60 Ca -0.45 -0.08 -0.01 0.00 -1.37 0.00 0.00 64.86 62.96 3lys h ILE 60 Cb 1.20 0.46 -0.01 0.00 0.47 0.00 0.00 36.82 38.95 3lys h ILE 60 CO 0.69 0.04 -0.24 0.77 -3.07 0.00 0.00 178.15 176.34 3lys h SER 61 N 0.22 -0.61 -0.34 2.19 4.64 -1.84 -1.04 113.55 116.78 3lys h SER 61 Ca 0.25 0.04 0.07 0.00 -0.47 0.00 0.00 61.79 61.68 3lys h SER 61 Cb 0.35 0.18 -0.07 0.00 -0.31 0.00 0.00 62.40 62.55 3lys h SER 61 CO -0.34 -0.38 -0.12 -0.08 -0.87 0.00 0.00 176.83 175.05 3lys h GLU 62 N -0.59 -0.04 -0.32 4.77 4.81 -1.86 -2.14 114.58 119.21 3lys h GLU 62 Ca -0.04 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3lys h GLU 62 Cb 0.49 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3lys h GLU 62 CO 0.03 -0.03 0.18 -0.92 -0.73 0.00 0.00 179.01 177.54 3lys h TYR 63 N -0.04 0.34 -0.61 0.92 5.03 -1.05 -2.03 116.97 119.52 3lys h TYR 63 Ca 0.17 0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.62 3lys h TYR 63 Cb 0.30 -0.11 -0.10 0.00 1.55 0.00 0.00 36.73 38.38 3lys h TYR 63 CO -0.34 0.20 0.05 0.35 -1.32 0.00 0.00 178.16 177.10 3lys h PHE 64 N 0.37 0.06 0.20 -3.82 3.04 -0.53 0.34 116.94 116.59 3lys h PHE 64 Ca 0.13 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.11 3lys h PHE 64 Cb 0.01 0.07 -0.00 0.00 2.56 0.00 0.00 35.95 38.59 3lys h PHE 64 CO -0.08 -0.12 -0.11 -0.22 -2.02 0.00 0.00 178.31 175.76 3lys h LYS 65 N 0.17 -0.28 -0.52 1.11 3.64 -1.19 -2.63 116.57 116.85 3lys h LYS 65 Ca 0.32 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.82 3lys h LYS 65 Cb 0.51 0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 32.29 3lys h LYS 65 CO -0.48 -0.19 -0.29 0.22 -2.27 0.00 0.00 179.45 176.44 3lys h ASP 66 N -0.29 -0.99 0.00 4.20 1.82 -0.40 -1.54 116.42 119.22 3lys h ASP 66 Ca -0.02 0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 3lys h ASP 66 Cb 0.24 0.50 0.00 0.00 0.68 0.00 0.00 39.33 40.75 3lys h ASP 66 CO 0.03 -0.29 0.00 1.87 -1.61 0.00 0.00 179.24 179.24 3lys n TRP 67 N -5.43 0.00 0.00 0.28 -0.00 0.10 -2.74 117.44 109.65 3lys n TRP 67 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.54 3lys n TRP 67 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.65 3lys n TRP 67 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 3lys n GLU 69 N 0.15 0.00 -0.09 5.87 1.02 -0.58 -1.54 120.64 125.48 3lys n GLU 69 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 3lys n GLU 69 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 3lys n GLU 69 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3lys n LEU 70 N 0.00 1.85 -0.22 -4.62 4.77 -1.11 -4.36 117.00 113.31 3lys n LEU 70 Ca 0.00 0.52 0.11 0.00 -0.03 0.00 0.00 56.01 56.61 3lys n LEU 70 Cb 0.00 -0.89 -0.01 0.00 -2.33 0.00 0.00 43.42 40.20 3lys n LEU 70 CO 0.00 -0.15 0.19 -1.22 -1.33 0.00 0.00 177.39 174.88 3lys n TYR 71 N -4.52 0.00 -0.03 -1.77 4.02 -0.59 -4.69 117.16 109.58 3lys n TYR 71 Ca -0.19 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.64 3lys n TYR 71 Cb 0.46 -0.03 -0.02 0.00 -0.02 0.00 0.00 39.34 39.73 3lys n TYR 71 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 3lys n LYS 72 N -0.85 0.12 0.00 -0.72 3.00 -1.26 -4.77 118.16 113.68 3lys n LYS 72 Ca 0.07 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 3lys n LYS 72 Cb 0.39 -0.71 0.00 0.00 0.00 0.00 0.00 35.03 34.71 3lys n LYS 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3lys n LYS 73 N -3.24 0.00 0.00 1.64 0.00 -1.26 -0.88 118.16 114.42 3lys n LYS 73 Ca -0.11 0.00 0.14 0.00 0.00 0.00 0.00 58.31 58.34 3lys n LYS 73 Cb 0.58 0.00 0.79 0.00 0.00 0.00 0.00 35.03 36.40 3lys n LYS 73 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3lys n ASN 74 N 0.00 0.00 0.10 3.14 3.02 -1.26 -3.65 115.26 116.62 3lys n ASN 74 Ca 0.00 -0.55 -0.23 0.00 -0.03 0.00 0.00 54.58 53.76 3lys n ASN 74 Cb 0.00 -0.13 -0.15 0.00 -0.61 0.00 0.00 39.78 38.89 3lys n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3lys h ALA 75 N 3.60 -0.08 -1.87 5.41 0.00 -1.31 -3.47 119.26 121.54 3lys h ALA 75 Ca 0.00 -0.87 -0.44 0.00 0.00 0.00 0.00 54.91 53.59 3lys h ALA 75 Cb 0.12 0.22 0.03 0.00 0.00 0.00 0.00 17.79 18.16 3lys h ALA 75 CO 0.00 0.67 -0.16 -1.50 0.00 0.00 0.00 179.25 178.26 3lys s ILE 76 N -2.54 3.58 0.76 0.00 1.10 -0.16 -5.06 121.20 118.87 3lys s ILE 76 Ca -0.12 -0.72 -0.16 0.00 -0.51 0.00 0.00 60.65 59.15 3lys s ILE 76 Cb 0.03 -3.29 -0.02 0.00 0.15 0.00 0.00 42.46 39.33 3lys s ILE 76 CO 0.89 -0.17 0.54 -0.67 -2.11 0.00 0.00 174.94 173.42 3lys n ASP 77 N -2.01 -1.22 -0.72 4.50 4.64 -1.26 -4.80 116.55 115.68 3lys n ASP 77 Ca 0.03 0.55 0.00 0.00 -1.38 0.00 0.00 54.79 53.99 3lys n ASP 77 Cb 0.58 -1.23 0.00 0.00 -1.04 0.00 0.00 41.12 39.43 3lys n ASP 77 CO 0.00 0.00 0.00 1.21 -0.82 0.00 0.00 177.20 177.59 3lys n GLU 78 N -0.99 0.51 0.00 -0.67 4.07 -1.26 -1.49 120.64 120.81 3lys n GLU 78 Ca 0.10 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 3lys n GLU 78 Cb 0.50 -1.25 0.00 0.00 -0.06 0.00 0.00 31.44 30.63 3lys n GLU 78 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 3lys n THR 80 N 0.46 0.00 0.23 6.31 -1.04 -1.26 -2.72 114.28 116.26 3lys n THR 80 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.08 3lys n THR 80 Cb 0.18 0.00 0.54 0.00 -1.82 0.00 0.00 70.33 69.24 3lys n THR 80 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 3lys h TYR 81 N 0.00 0.00 -0.95 -1.42 3.20 -1.57 -1.80 116.97 114.42 3lys h TYR 81 Ca 0.00 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.01 3lys h TYR 81 Cb 0.00 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.19 3lys h TYR 81 CO 0.00 0.21 0.60 0.87 -1.64 0.00 0.00 178.16 178.21 3lys h LYS 82 N 0.00 0.79 -0.46 1.82 1.79 -1.80 -1.18 116.57 117.53 3lys h LYS 82 Ca -0.00 -0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.45 3lys h LYS 82 Cb 0.43 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 3lys h LYS 82 CO 0.03 0.52 0.25 0.78 -1.08 0.00 0.00 179.45 179.95 3lys h GLY 83 N 0.81 0.64 1.62 3.86 0.00 -1.65 -0.89 103.07 107.46 3lys h GLY 83 Ca 0.49 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.56 3lys h GLY 83 CO -0.25 0.14 -0.14 -0.97 0.00 0.00 0.00 176.54 175.32 3lys h TYR 84 N 0.50 0.49 -0.45 5.60 -1.99 -1.33 0.13 116.97 119.92 3lys h TYR 84 Ca 0.19 -0.08 -0.10 0.00 2.00 0.00 0.00 58.73 60.74 3lys h TYR 84 Cb 0.06 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 38.64 3lys h TYR 84 CO -0.08 0.59 -0.12 0.93 -0.00 0.00 0.00 178.16 179.47 3lys h GLU 85 N 0.42 0.82 0.05 4.88 5.08 -0.69 0.86 114.58 126.01 3lys h GLU 85 Ca 0.08 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3lys h GLU 85 Cb 0.50 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3lys h GLU 85 CO 0.03 0.90 -0.03 0.37 -1.00 0.00 0.00 179.01 179.29 3lys h GLN 86 N 0.74 -0.07 -0.89 2.33 5.75 -0.57 -0.91 115.11 121.48 3lys h GLN 86 Ca 0.12 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.72 3lys h GLN 86 Cb 0.62 0.02 -0.06 0.00 1.07 0.00 0.00 27.48 29.12 3lys h GLN 86 CO 0.04 0.27 0.58 1.15 -2.65 0.00 0.00 178.83 178.22 3lys h THR 87 N -0.42 0.97 0.38 2.39 2.02 -0.62 0.25 112.91 117.88 3lys h THR 87 Ca -0.01 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 3lys h THR 87 Cb 0.37 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3lys h THR 87 CO 0.01 0.16 -0.18 0.25 0.37 0.00 0.00 175.52 176.13 3lys h LEU 88 N 0.90 -0.43 -0.10 2.58 5.85 -0.55 0.60 115.31 124.15 3lys h LEU 88 Ca 0.41 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.17 3lys h LEU 88 Cb 0.40 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 3lys h LEU 88 CO -0.18 -0.29 -0.37 0.50 -0.34 0.00 0.00 178.44 177.77 3lys h LYS 89 N -0.54 -0.44 -0.51 1.25 3.64 0.12 -0.82 116.57 119.27 3lys h LYS 89 Ca -0.05 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.46 3lys h LYS 89 Cb 0.41 0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 32.23 3lys h LYS 89 CO 0.09 -0.30 -0.21 1.88 -2.27 0.00 0.00 179.45 178.64 3lys h TYR 90 N -0.46 -0.52 -0.76 1.91 0.99 -0.42 0.41 116.97 118.12 3lys h TYR 90 Ca 0.08 0.05 0.14 0.00 2.00 0.00 0.00 58.73 61.00 3lys h TYR 90 Cb 0.59 0.31 -0.09 0.00 1.00 0.00 0.00 36.73 38.54 3lys h TYR 90 CO -0.43 -0.30 0.32 1.25 -0.00 0.00 0.00 178.16 179.00 3lys h LEU 91 N -0.09 0.32 -1.62 3.88 5.85 0.23 0.26 115.31 124.13 3lys h LEU 91 Ca 0.24 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 3lys h LEU 91 Cb 0.46 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3lys h LEU 91 CO -0.57 0.13 0.01 0.11 -0.34 0.00 0.00 178.44 177.78 3lys h LYS 92 N 0.47 0.25 0.00 1.25 1.57 0.42 -3.32 116.57 117.21 3lys h LYS 92 Ca 0.41 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3lys h LYS 92 Cb 0.61 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3lys h LYS 92 CO -0.39 0.26 0.00 2.41 -0.57 0.00 0.00 179.45 181.17 3lys n THR 93 N -4.40 0.00 0.00 -0.16 -1.04 -0.04 -3.68 114.28 104.96 3lys n THR 93 Ca -0.00 0.36 0.00 0.00 -2.04 0.00 0.00 64.05 62.37 3lys n THR 93 Cb 0.16 -0.88 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 3lys n THR 93 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3lys n TYR 94 N -1.15 0.00 0.00 -1.42 4.01 -0.51 -5.02 117.16 113.06 3lys n TYR 94 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3lys n TYR 94 Cb 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 3lys n TYR 94 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3lys n PRO 96 N 0.67 0.00 0.00 -0.72 -0.04 -1.24 -5.01 135.00 128.66 3lys n PRO 96 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3lys n PRO 96 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3lys n PRO 96 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3lys n ASN 97 N 0.00 1.63 -4.66 3.54 3.02 -1.26 -4.70 115.26 112.83 3lys n ASN 97 Ca 0.00 -1.28 -0.42 0.00 -0.03 0.00 0.00 54.58 52.85 3lys n ASN 97 Cb 0.00 -0.32 -0.03 0.00 -0.61 0.00 0.00 39.78 38.82 3lys n ASN 97 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3lys s VAL 98 N 0.06 3.57 -0.00 2.41 1.01 -1.26 -4.94 120.40 121.25 3lys s VAL 98 Ca 0.00 0.71 -0.23 0.00 0.00 0.00 0.00 61.98 62.46 3lys s VAL 98 Cb 0.00 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 3lys s VAL 98 CO 0.00 -0.06 0.68 -0.76 0.00 0.00 0.00 175.10 174.96 3lys s LEU 99 N 3.98 4.40 0.44 3.92 1.02 -1.26 -0.45 118.68 130.74 3lys s LEU 99 Ca 0.73 1.27 0.24 0.00 0.02 0.00 0.00 54.13 56.39 3lys s LEU 99 Cb -0.33 -3.07 1.24 0.00 0.02 0.00 0.00 46.19 44.05 3lys s LEU 99 CO 0.29 0.02 1.79 -0.29 0.02 0.00 0.00 176.35 178.18 3lys h ILE 100 N 4.29 0.49 -0.00 -0.59 6.09 -1.25 0.38 117.51 126.92 3lys h ILE 100 Ca -0.44 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 62.96 3lys h ILE 100 Cb 1.20 0.20 0.00 0.00 0.47 0.00 0.00 36.82 38.69 3lys h ILE 100 CO 0.72 0.05 -0.00 -1.54 -3.07 0.00 0.00 178.15 174.30 3lys n SER 101 N -4.50 0.01 -0.02 2.19 3.41 -1.26 -3.26 113.62 110.19 3lys n SER 101 Ca 0.25 -0.50 0.05 0.00 -0.26 0.00 0.00 58.87 58.41 3lys n SER 101 Cb 0.98 -0.17 -0.12 0.00 -0.26 0.00 0.00 64.21 64.64 3lys n SER 101 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3lys n GLU 102 N -1.16 0.72 -1.75 4.33 1.02 0.13 -4.98 120.64 118.95 3lys n GLU 102 Ca 0.18 -0.12 -0.42 0.00 -0.02 0.00 0.00 57.16 56.79 3lys n GLU 102 Cb 0.19 -1.39 -0.02 0.00 -0.02 0.00 0.00 31.44 30.21 3lys n GLU 102 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3lys n ILE 103 N -2.17 0.99 -4.39 -3.67 5.41 -1.04 -4.99 119.36 109.50 3lys n ILE 103 Ca -0.08 -0.25 -0.20 0.00 1.00 0.00 0.00 62.75 63.23 3lys n ILE 103 Cb 0.55 -1.97 -0.10 0.00 -0.71 0.00 0.00 39.64 37.40 3lys n ILE 103 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3lys s THR 104 N 0.03 1.51 0.48 1.39 -4.23 -1.26 -4.90 115.64 108.66 3lys s THR 104 Ca 0.64 -2.11 0.22 0.00 -1.18 0.00 0.00 61.69 59.26 3lys s THR 104 Cb -0.49 -2.34 0.40 0.00 1.34 0.00 0.00 72.50 71.41 3lys s THR 104 CO 0.48 -0.37 1.91 0.00 -0.54 0.00 0.00 174.62 176.11 3lys h ALA 105 N 2.38 2.41 0.03 3.99 0.00 -1.95 -0.53 119.26 125.61 3lys h ALA 105 Ca -0.39 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3lys h ALA 105 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3lys h ALA 105 CO 0.66 -0.64 -0.02 0.77 0.00 0.00 0.00 179.25 180.02 3lys h SER 106 N 0.21 -0.04 -0.28 0.00 0.02 -1.96 -2.35 113.55 109.16 3lys h SER 106 Ca 0.38 -0.66 0.04 0.00 -0.84 0.00 0.00 61.79 60.71 3lys h SER 106 Cb 1.19 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 63.67 3lys h SER 106 CO -0.08 0.71 -0.51 0.28 -1.14 0.00 0.00 176.83 176.09 3lys h SER 107 N -0.86 -1.68 -0.44 3.07 0.02 -1.69 0.31 113.55 112.29 3lys h SER 107 Ca -0.00 0.21 0.08 0.00 -0.84 0.00 0.00 61.79 61.23 3lys h SER 107 Cb 0.70 0.67 -0.07 0.00 0.14 0.00 0.00 62.40 63.85 3lys h SER 107 CO 0.01 -0.40 0.04 0.22 -1.14 0.00 0.00 176.83 175.56 3lys h TYR 108 N -0.44 0.05 -0.98 3.45 5.03 -1.26 0.24 116.97 123.07 3lys h TYR 108 Ca 0.05 0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.42 3lys h TYR 108 Cb 0.58 0.04 -0.05 0.00 1.55 0.00 0.00 36.73 38.85 3lys h TYR 108 CO -0.66 -0.05 0.64 0.37 -1.32 0.00 0.00 178.16 177.14 3lys h GLN 109 N 0.16 1.23 -0.21 1.82 5.75 -0.78 0.29 115.11 123.38 3lys h GLN 109 Ca 0.22 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.61 3lys h GLN 109 Cb 0.30 -0.28 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 3lys h GLN 109 CO -0.33 0.82 0.00 -0.09 -2.65 0.00 0.00 178.83 176.58 3lys h ARG 110 N 1.27 0.36 -0.69 1.69 2.43 0.95 0.21 114.38 120.60 3lys h ARG 110 Ca 0.38 -0.12 0.02 0.00 -0.81 0.00 0.00 59.98 59.46 3lys h ARG 110 Cb -0.06 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 3lys h ARG 110 CO -0.11 0.56 0.44 0.00 -1.51 0.00 0.00 179.97 179.35 3lys h ALA 111 N 0.79 0.90 -0.82 2.80 0.00 -0.07 -0.68 119.26 122.18 3lys h ALA 111 Ca 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3lys h ALA 111 Cb 0.39 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3lys h ALA 111 CO 0.01 0.23 0.42 -0.07 0.00 0.00 0.00 179.25 179.83 3lys h LEU 112 N 0.87 1.05 0.38 0.00 4.07 -0.14 -2.04 115.31 119.50 3lys h LEU 112 Ca 0.27 -0.12 -0.02 0.00 0.08 0.00 0.00 57.88 58.09 3lys h LEU 112 Cb -0.01 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.46 3lys h LEU 112 CO -0.10 0.87 -0.18 0.78 -1.08 0.00 0.00 178.44 178.74 3lys h ASN 113 N 1.15 -0.43 -1.01 -0.43 2.35 0.30 -1.64 115.58 115.88 3lys h ASN 113 Ca 0.28 -0.09 0.26 0.00 -0.55 0.00 0.00 56.30 56.21 3lys h ASN 113 Cb 0.08 0.11 -0.13 0.00 0.05 0.00 0.00 38.32 38.44 3lys h ASN 113 CO -0.04 -0.16 0.60 0.50 -1.65 0.00 0.00 177.43 176.67 3lys h LYS 114 N -0.70 0.51 -0.53 0.81 1.63 -1.03 0.25 116.57 117.52 3lys h LYS 114 Ca -0.05 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.61 3lys h LYS 114 Cb 0.49 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.99 3lys h LYS 114 CO 0.09 0.34 -0.08 0.35 -3.45 0.00 0.00 179.45 176.70 3lys h PHE 115 N 0.53 1.09 0.00 1.91 3.04 -1.08 -3.04 116.94 119.39 3lys h PHE 115 Ca 0.66 -0.22 -0.01 0.00 3.98 0.00 0.00 57.97 62.38 3lys h PHE 115 Cb 1.32 -0.27 -0.00 0.00 2.56 0.00 0.00 35.95 39.56 3lys h PHE 115 CO -0.01 1.01 -0.06 0.00 -2.02 0.00 0.00 178.31 177.24 3lys h ALA 116 N 0.92 1.20 -0.09 2.41 0.00 0.47 -2.64 119.26 121.53 3lys h ALA 116 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3lys h ALA 116 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3lys h ALA 116 CO 0.04 0.07 0.00 -0.85 0.00 0.00 0.00 179.25 178.51 3lys n GLU 117 N -3.44 1.54 0.00 0.00 0.28 -1.04 -3.31 120.64 114.68 3lys n GLU 117 Ca -0.02 -0.46 0.00 0.00 -0.16 0.00 0.00 57.16 56.52 3lys n GLU 117 Cb 0.19 -1.55 0.00 0.00 1.43 0.00 0.00 31.44 31.50 3lys n GLU 117 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3lys n THR 118 N 0.06 0.00 -3.96 3.84 -2.24 -1.01 -5.12 114.28 105.85 3lys n THR 118 Ca 0.04 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.73 3lys n THR 118 Cb 0.36 0.18 -0.10 0.00 -2.10 0.00 0.00 70.33 68.67 3lys n THR 118 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3lys s HIS 119 N 0.00 0.24 0.76 4.78 3.76 -1.10 -5.13 115.29 118.60 3lys s HIS 119 Ca 0.00 -0.56 -0.11 0.00 -0.15 0.00 0.00 55.06 54.24 3lys s HIS 119 Cb 0.00 -0.18 0.04 0.00 1.11 0.00 0.00 32.58 33.56 3lys s HIS 119 CO 0.00 -0.32 1.08 0.00 -0.85 0.00 0.00 174.74 174.65 3lys s ALA 120 N -2.44 2.39 0.09 -1.40 0.00 -1.26 -4.39 121.76 114.74 3lys s ALA 120 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 51.96 51.56 3lys s ALA 120 Cb -0.02 -3.17 -0.16 0.00 0.00 0.00 0.00 23.12 19.77 3lys s ALA 120 CO -0.04 -1.55 1.59 -0.22 0.00 0.00 0.00 175.76 175.54 3lys h LYS 121 N -0.96 -0.89 -0.90 0.00 3.64 -1.77 0.13 116.57 115.82 3lys h LYS 121 Ca -0.45 0.06 0.23 0.00 -1.27 0.00 0.00 60.65 59.22 3lys h LYS 121 Cb 1.24 0.20 -0.13 0.00 -0.41 0.00 0.00 32.23 33.13 3lys h LYS 121 CO 0.57 -0.59 0.37 0.00 -2.27 0.00 0.00 179.45 177.53 3lys h ALA 122 N -0.63 1.44 -0.00 5.00 0.00 -1.91 0.12 119.26 123.27 3lys h ALA 122 Ca -0.05 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3lys h ALA 122 Cb 0.79 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3lys h ALA 122 CO -0.02 -0.38 -0.00 1.03 0.00 0.00 0.00 179.25 179.88 3lys h SER 123 N 0.36 0.00 -0.45 0.00 0.87 -1.76 -2.18 113.55 110.40 3lys h SER 123 Ca 0.57 -0.37 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3lys h SER 123 Cb 1.11 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.04 3lys h SER 123 CO -0.56 0.37 0.24 0.00 -0.53 0.00 0.00 176.83 176.35 3lys h THR 124 N -0.37 1.16 -0.07 2.23 1.03 0.13 -2.42 112.91 114.61 3lys h THR 124 Ca 0.00 -0.43 0.00 0.00 -0.01 0.00 0.00 66.41 65.97 3lys h THR 124 Cb 0.37 0.54 -0.00 0.00 -1.07 0.00 0.00 68.15 67.98 3lys h THR 124 CO 0.00 0.18 0.04 0.50 -0.01 0.00 0.00 175.52 176.23 3lys h LYS 125 N 0.67 0.09 -0.95 0.00 3.64 -0.66 -2.18 116.57 117.18 3lys h LYS 125 Ca 0.17 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.64 3lys h LYS 125 Cb 0.05 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.78 3lys h LYS 125 CO -0.02 0.08 0.60 0.78 -2.27 0.00 0.00 179.45 178.62 3lys h GLY 126 N 0.07 1.51 0.96 5.01 0.00 -0.95 -0.48 103.07 109.20 3lys h GLY 126 Ca 0.02 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 3lys h GLY 126 CO -0.01 0.22 -0.44 -2.75 0.00 0.00 0.00 176.54 173.56 3lys h PHE 127 N 1.01 -1.16 0.02 5.60 3.57 -1.07 -2.42 116.94 122.48 3lys h PHE 127 Ca 0.45 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.93 3lys h PHE 127 Cb 0.34 0.39 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 3lys h PHE 127 CO -0.02 -0.70 -0.26 1.25 -2.23 0.00 0.00 178.31 176.36 3lys h HIS 128 N -1.20 -0.75 -0.88 0.41 2.76 -1.03 -1.22 115.15 113.24 3lys h HIS 128 Ca -0.12 0.02 0.14 0.00 -2.20 0.00 0.00 60.37 58.21 3lys h HIS 128 Cb 0.93 0.33 -0.14 0.00 1.55 0.00 0.00 27.41 30.07 3lys h HIS 128 CO -0.04 -0.28 -0.39 0.00 -1.30 0.00 0.00 177.93 175.93 3lys h THR 129 N -0.34 0.05 -0.64 6.26 1.03 -1.15 0.30 112.91 118.42 3lys h THR 129 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 66.41 66.43 3lys h THR 129 Cb 0.35 0.05 -0.04 0.00 -1.07 0.00 0.00 68.15 67.44 3lys h THR 129 CO -0.16 0.00 0.40 0.03 -0.01 0.00 0.00 175.52 175.77 3lys h ARG 130 N -0.05 0.76 -0.64 0.00 3.08 -1.13 -1.14 114.38 115.26 3lys h ARG 130 Ca 0.30 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.26 3lys h ARG 130 Cb 0.58 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 3lys h ARG 130 CO -0.90 0.50 0.23 0.28 -1.07 0.00 0.00 179.97 179.01 3lys h VAL 131 N 0.78 1.24 -0.29 2.04 2.07 0.24 -2.76 116.25 119.57 3lys h VAL 131 Ca 0.26 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 67.04 3lys h VAL 131 Cb 0.02 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 3lys h VAL 131 CO -0.10 0.31 -0.06 -0.09 0.02 0.00 0.00 177.57 177.65 3lys h ARG 132 N 0.91 0.01 -0.85 1.57 2.43 0.26 -1.89 114.38 116.82 3lys h ARG 132 Ca 0.21 -0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.50 3lys h ARG 132 Cb 0.25 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.71 3lys h ARG 132 CO -0.01 0.01 0.47 0.00 -1.51 0.00 0.00 179.97 178.93 3lys h ALA 133 N 1.28 1.25 0.00 2.80 0.00 -0.96 -0.14 119.26 123.49 3lys h ALA 133 Ca 0.14 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3lys h ALA 133 Cb 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3lys h ALA 133 CO -0.28 0.03 -0.29 0.66 0.00 0.00 0.00 179.25 179.37 3lys h SER 134 N 0.74 0.00 0.62 0.00 4.64 -1.12 -2.52 113.55 115.90 3lys h SER 134 Ca 0.43 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.59 3lys h SER 134 Cb 0.49 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 3lys h SER 134 CO -0.29 0.29 -0.76 0.40 -0.87 0.00 0.00 176.83 175.60 3lys h ILE 135 N 0.00 1.49 0.05 0.95 5.03 -0.47 -3.27 117.51 121.29 3lys h ILE 135 Ca -0.00 -2.46 0.02 0.00 -0.12 0.00 0.00 64.86 62.30 3lys h ILE 135 Cb 0.56 2.33 -0.05 0.00 -3.03 0.00 0.00 36.82 36.63 3lys h ILE 135 CO 0.04 0.71 -0.52 1.56 -0.68 0.00 0.00 178.15 179.26 3lys h GLN 136 N 0.07 -0.66 -0.66 2.37 1.08 -0.91 0.99 115.11 117.40 3lys h GLN 136 Ca -0.02 0.05 0.12 0.00 -1.45 0.00 0.00 58.65 57.34 3lys h GLN 136 Cb 1.34 0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 28.88 3lys h GLN 136 CO 0.11 -0.44 0.44 0.00 -0.95 0.00 0.00 178.83 177.99 3lys h LEU 138 N 0.40 0.46 0.10 0.00 5.85 -0.95 0.05 115.31 121.21 3lys h LEU 138 Ca 0.31 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 3lys h LEU 138 Cb 0.67 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3lys h LEU 138 CO -0.09 0.53 -0.05 0.40 -0.34 0.00 0.00 178.44 178.90 3lys h ILE 139 N 0.47 0.84 -0.89 4.05 1.08 0.18 -1.75 117.51 121.49 3lys h ILE 139 Ca 0.10 -1.35 0.23 0.00 -0.39 0.00 0.00 64.86 63.45 3lys h ILE 139 Cb 0.33 1.50 -0.13 0.00 -3.07 0.00 0.00 36.82 35.44 3lys h ILE 139 CO 0.01 0.25 0.34 -0.08 -0.69 0.00 0.00 178.15 177.98 3lys h GLU 140 N -0.93 0.31 0.00 2.37 4.22 -0.48 1.03 114.58 121.10 3lys h GLU 140 Ca -0.01 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.41 3lys h GLU 140 Cb 0.51 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3lys h GLU 140 CO 0.02 0.21 0.00 0.39 -2.18 0.00 0.00 179.01 177.45 3lys n GLU 141 N -5.11 0.12 -2.39 1.92 1.02 -0.01 -4.88 120.64 111.31 3lys n GLU 141 Ca 0.22 0.36 -0.08 0.00 -0.02 0.00 0.00 57.16 57.64 3lys n GLU 141 Cb 0.68 -1.73 0.01 0.00 -0.02 0.00 0.00 31.44 30.38 3lys n GLU 141 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3lys n GLY 142 N -0.04 0.14 0.03 0.62 0.00 0.35 -4.92 105.19 101.38 3lys n GLY 142 Ca 0.03 -0.48 0.03 0.00 0.00 0.00 0.00 46.02 45.60 3lys n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lys n ARG 143 N -1.90 0.81 -5.17 1.61 1.74 -0.72 -4.58 116.66 108.44 3lys n ARG 143 Ca -0.06 -0.11 -0.32 0.00 -0.77 0.00 0.00 57.85 56.59 3lys n ARG 143 Cb 0.56 -1.39 -0.17 0.00 -1.02 0.00 0.00 32.46 30.44 3lys n ARG 143 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3lys s LEU 144 N -4.45 2.14 -0.00 0.55 2.96 -0.83 -3.24 118.68 115.80 3lys s LEU 144 Ca -0.07 -0.54 -0.13 0.00 -0.22 0.00 0.00 54.13 53.17 3lys s LEU 144 Cb 0.09 -1.43 -0.07 0.00 0.50 0.00 0.00 46.19 45.28 3lys s LEU 144 CO 0.67 0.16 0.78 1.56 -1.32 0.00 0.00 176.35 178.19 3lys h GLN 145 N 6.73 -0.46 -5.23 1.98 1.08 -1.91 -3.40 115.11 113.90 3lys h GLN 145 Ca -0.20 0.03 -0.67 0.00 -1.45 0.00 0.00 58.65 56.36 3lys h GLN 145 Cb 1.24 0.10 -0.32 0.00 -0.05 0.00 0.00 27.48 28.45 3lys h GLN 145 CO 0.48 -0.30 -0.84 -1.59 -0.95 0.00 0.00 178.83 175.62 3lys s LYS 146 N -3.33 3.12 -0.82 1.46 -2.85 -1.26 -5.05 119.74 111.02 3lys s LYS 146 Ca -0.07 -0.81 -0.25 0.00 -1.00 0.00 0.00 55.97 53.84 3lys s LYS 146 Cb 0.01 -2.49 -0.06 0.00 -2.06 0.00 0.00 37.83 33.22 3lys s LYS 146 CO 0.21 0.04 2.03 0.34 0.10 0.00 0.00 175.35 178.08 3lys s ASP 147 N 0.71 4.91 0.31 0.03 2.15 -1.26 -4.79 116.67 118.72 3lys s ASP 147 Ca -0.09 -0.31 0.22 0.00 0.43 0.00 0.00 52.55 52.80 3lys s ASP 147 Cb -0.16 -2.55 1.14 0.00 -0.30 0.00 0.00 42.92 41.05 3lys s ASP 147 CO 0.01 -2.89 1.66 2.22 -0.17 0.00 0.00 175.17 176.00 3lys n PHE 148 N 14.69 0.73 0.28 -5.34 1.16 -1.26 -0.68 117.46 127.04 3lys n PHE 148 Ca 0.38 0.37 0.07 0.00 -1.87 0.00 0.00 57.45 56.40 3lys n PHE 148 Cb 0.47 -1.09 0.23 0.00 -1.61 0.00 0.00 39.48 37.48 3lys n PHE 148 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 3lys n THR 149 N -2.25 0.96 0.07 1.97 -2.24 -1.26 -4.20 114.28 107.34 3lys n THR 149 Ca -0.01 -0.72 -0.03 0.00 -2.27 0.00 0.00 64.05 61.02 3lys n THR 149 Cb 0.06 0.14 -0.01 0.00 -2.10 0.00 0.00 70.33 68.41 3lys n THR 149 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3lys h THR 150 N 2.76 0.00 -0.02 4.28 1.03 -1.30 -3.35 112.91 116.31 3lys h THR 150 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 66.36 3lys h THR 150 Cb 0.87 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 67.95 3lys h THR 150 CO 0.09 0.00 -0.17 -1.14 -0.01 0.00 0.00 175.52 174.29 3lys n ARG 151 N -2.63 1.61 0.00 0.00 0.63 -1.26 -4.06 116.66 110.95 3lys n ARG 151 Ca -0.02 -1.20 0.00 0.00 -0.92 0.00 0.00 57.85 55.71 3lys n ARG 151 Cb 0.08 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 31.51 3lys n ARG 151 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3lys n ALA 152 N 0.35 1.94 0.28 5.13 0.00 -1.26 -4.10 120.51 122.86 3lys n ALA 152 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.60 3lys n ALA 152 Cb 0.46 -1.00 0.14 0.00 0.00 0.00 0.00 19.45 19.05 3lys n ALA 152 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3lys h VAL 153 N 0.00 0.00 -2.29 0.00 3.04 -1.78 -3.39 116.25 111.83 3lys h VAL 153 Ca 0.00 0.00 -0.58 0.00 -1.01 0.00 0.00 66.70 65.11 3lys h VAL 153 Cb 0.19 0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 29.57 3lys h VAL 153 CO 0.00 0.00 1.40 -0.69 -1.01 0.00 0.00 177.57 177.27 3lys s VAL 154 N -3.75 3.22 -0.45 1.51 1.01 -1.26 -4.91 120.40 115.76 3lys s VAL 154 Ca -0.01 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 3lys s VAL 154 Cb 0.01 -3.29 0.12 0.00 0.00 0.00 0.00 36.38 33.22 3lys s VAL 154 CO 0.05 -0.19 0.23 -1.59 0.00 0.00 0.00 175.10 173.60 3lys s LYS 155 N 6.05 2.02 0.22 2.72 0.00 -1.26 -4.93 119.74 124.56 3lys s LYS 155 Ca 0.91 -2.07 -0.31 0.00 0.00 0.00 0.00 55.97 54.51 3lys s LYS 155 Cb -0.28 -3.52 -0.15 0.00 0.00 0.00 0.00 37.83 33.88 3lys s LYS 155 CO 0.34 -1.07 1.04 0.41 0.00 0.00 0.00 175.35 176.07 3lys n GLY 156 N 4.14 -0.25 0.00 0.59 0.00 -1.26 -4.92 105.19 103.49 3lys n GLY 156 Ca 0.02 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.47 3lys n GLY 156 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3lys n LEU 157 N 1.69 0.00 -3.17 0.99 -0.00 -1.26 -4.42 117.00 110.83 3lys n LEU 157 Ca 0.13 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.19 3lys n LEU 157 Cb 0.27 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.66 3lys n LEU 157 CO 0.60 -0.17 0.87 -0.70 -0.00 0.00 0.00 177.39 178.00 3lys s GLU 158 N 0.16 0.03 0.00 1.47 2.56 -1.26 -4.43 118.70 117.23 3lys s GLU 158 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.97 55.05 3lys s GLU 158 Cb 0.00 0.05 0.00 0.00 2.00 0.00 0.00 34.13 36.18 3lys s GLU 158 CO 0.00 -0.02 0.00 1.58 -0.56 0.00 0.00 175.26 176.26