#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lys n GLN 58 N 0.00 0.00 -2.33 -1.58 7.27 -1.26 -5.04 117.38 114.44 3lys n GLN 58 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.65 3lys n GLN 58 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 3lys n GLN 58 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 3lys s GLU 59 N -2.00 4.38 0.26 3.69 2.02 -1.26 -0.78 118.70 125.01 3lys s GLU 59 Ca 0.00 1.88 -0.07 0.00 0.02 0.00 0.00 54.97 56.80 3lys s GLU 59 Cb 0.00 -3.34 0.46 0.00 0.10 0.00 0.00 34.13 31.35 3lys s GLU 59 CO 0.00 -0.35 1.60 0.97 0.02 0.00 0.00 175.26 177.51 3lys h ILE 60 N 4.48 0.20 0.43 -1.63 6.09 -1.10 -0.35 117.51 125.64 3lys h ILE 60 Ca -0.41 -0.01 -0.01 0.00 -1.37 0.00 0.00 64.86 63.05 3lys h ILE 60 Cb 1.21 0.16 -0.01 0.00 0.47 0.00 0.00 36.82 38.65 3lys h ILE 60 CO 0.84 0.01 -0.27 0.77 -3.07 0.00 0.00 178.15 176.43 3lys h SER 61 N 0.04 -0.67 -0.35 2.19 4.64 -1.84 -0.91 113.55 116.65 3lys h SER 61 Ca 0.44 0.04 0.07 0.00 -0.47 0.00 0.00 61.79 61.88 3lys h SER 61 Cb 0.77 0.20 -0.07 0.00 -0.31 0.00 0.00 62.40 62.98 3lys h SER 61 CO -0.80 -0.42 -0.15 -0.08 -0.87 0.00 0.00 176.83 174.51 3lys h GLU 62 N -0.67 -0.08 -0.28 4.77 4.81 -1.54 -2.16 114.58 119.43 3lys h GLU 62 Ca -0.05 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3lys h GLU 62 Cb 0.55 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 3lys h GLU 62 CO 0.05 -0.05 0.13 -0.92 -0.73 0.00 0.00 179.01 177.49 3lys h TYR 63 N -0.08 0.24 -0.69 0.92 5.03 -1.00 -2.13 116.97 119.26 3lys h TYR 63 Ca 0.17 0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.64 3lys h TYR 63 Cb 0.35 -0.07 -0.10 0.00 1.55 0.00 0.00 36.73 38.46 3lys h TYR 63 CO -0.37 0.13 0.15 0.35 -1.32 0.00 0.00 178.16 177.10 3lys h PHE 64 N 0.28 0.23 0.12 -3.82 3.04 -0.52 0.35 116.94 116.63 3lys h PHE 64 Ca 0.12 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.10 3lys h PHE 64 Cb 0.05 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.56 3lys h PHE 64 CO -0.10 -0.07 -0.06 -0.22 -2.02 0.00 0.00 178.31 175.84 3lys h LYS 65 N 0.26 -0.16 -0.47 1.11 3.64 -1.17 -2.80 116.57 116.98 3lys h LYS 65 Ca 0.38 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.86 3lys h LYS 65 Cb 0.63 0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.38 3lys h LYS 65 CO -0.48 -0.07 -0.32 0.22 -2.27 0.00 0.00 179.45 176.53 3lys h ASP 66 N -0.20 -1.08 0.00 4.20 1.82 -0.35 -1.60 116.42 119.21 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 0.16 0.52 0.00 0.00 0.68 0.00 0.00 39.33 40.69 3lys h ASP 66 CO 0.03 -0.31 0.00 1.87 -1.61 0.00 0.00 179.24 179.22 3lys n TRP 67 N -5.42 0.00 0.00 0.28 -0.00 0.10 -2.79 117.44 109.61 3lys n TRP 67 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.52 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 0.13 0.00 -0.08 5.87 1.02 -0.60 -1.59 120.64 125.39 3lys n GLU 69 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 3lys n GLU 69 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 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 1.83 -0.32 -4.62 4.77 -1.12 -4.34 117.00 113.20 3lys n LEU 70 Ca 0.00 0.56 0.11 0.00 -0.03 0.00 0.00 56.01 56.65 3lys n LEU 70 Cb 0.00 -0.88 0.04 0.00 -2.33 0.00 0.00 43.42 40.25 3lys n LEU 70 CO 0.00 -0.25 0.28 -1.22 -1.33 0.00 0.00 177.39 174.87 3lys n TYR 71 N -4.55 0.00 -0.01 -1.77 4.02 -0.62 -4.68 117.16 109.55 3lys n TYR 71 Ca -0.15 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.70 3lys n TYR 71 Cb 0.40 -0.03 -0.01 0.00 -0.02 0.00 0.00 39.34 39.68 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 -0.53 0.08 0.00 -0.72 3.00 -1.26 -4.78 118.16 113.95 3lys n LYS 72 Ca 0.08 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 3lys n LYS 72 Cb 0.41 -0.63 0.00 0.00 0.00 0.00 0.00 35.03 34.81 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 -3.23 0.00 0.00 1.64 0.00 -1.26 -0.69 118.16 114.62 3lys n LYS 73 Ca -0.07 0.00 0.14 0.00 0.00 0.00 0.00 58.31 58.38 3lys n LYS 73 Cb 0.49 0.00 0.80 0.00 0.00 0.00 0.00 35.03 36.32 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 0.08 3.14 3.02 -1.26 -3.60 115.26 116.64 3lys n ASN 74 Ca 0.00 -0.72 -0.23 0.00 -0.03 0.00 0.00 54.58 53.59 3lys n ASN 74 Cb 0.00 -0.06 -0.15 0.00 -0.61 0.00 0.00 39.78 38.96 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 3.66 0.04 -1.87 5.41 0.00 -1.21 -3.47 119.26 121.82 3lys h ALA 75 Ca 0.00 -1.01 -0.44 0.00 0.00 0.00 0.00 54.91 53.46 3lys h ALA 75 Cb 0.05 0.34 0.02 0.00 0.00 0.00 0.00 17.79 18.21 3lys h ALA 75 CO 0.00 0.83 -0.17 -1.50 0.00 0.00 0.00 179.25 178.40 3lys s ILE 76 N -2.55 3.62 0.79 0.00 1.10 -0.18 -5.06 121.20 118.92 3lys s ILE 76 Ca -0.14 -0.74 -0.15 0.00 -0.51 0.00 0.00 60.65 59.11 3lys s ILE 76 Cb 0.04 -3.30 -0.02 0.00 0.15 0.00 0.00 42.46 39.33 3lys s ILE 76 CO 0.87 -0.17 0.48 -0.67 -2.11 0.00 0.00 174.94 173.33 3lys n ASP 77 N -1.98 -1.50 -0.72 4.50 4.64 -1.26 -4.80 116.55 115.43 3lys n ASP 77 Ca 0.03 0.51 0.00 0.00 -1.38 0.00 0.00 54.79 53.95 3lys n ASP 77 Cb 0.58 -1.21 0.00 0.00 -1.04 0.00 0.00 41.12 39.45 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 -0.98 0.56 0.00 -0.67 4.07 -1.26 -1.64 120.64 120.72 3lys n GLU 78 Ca 0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 3lys n GLU 78 Cb 0.51 -1.25 0.00 0.00 -0.06 0.00 0.00 31.44 30.64 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 0.43 0.00 0.24 6.31 -1.04 -1.26 -2.76 114.28 116.21 3lys n THR 80 Ca 0.00 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.10 3lys n THR 80 Cb 0.20 0.00 0.62 0.00 -1.82 0.00 0.00 70.33 69.33 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 -0.93 -1.42 3.20 -1.62 -1.61 116.97 114.59 3lys h TYR 81 Ca 0.00 0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.00 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 0.16 0.59 0.87 -1.64 0.00 0.00 178.16 178.14 3lys h LYS 82 N 0.00 0.78 -0.47 1.82 1.79 -1.80 -1.41 116.57 117.27 3lys h LYS 82 Ca -0.00 -0.05 0.02 0.00 -2.18 0.00 0.00 60.65 58.44 3lys h LYS 82 Cb 0.34 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.78 3lys h LYS 82 CO 0.02 0.52 0.29 0.78 -1.08 0.00 0.00 179.45 179.97 3lys h GLY 83 N 0.80 0.66 1.57 3.86 0.00 -1.62 -0.95 103.07 107.39 3lys h GLY 83 Ca 0.47 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.50 3lys h GLY 83 CO -0.23 0.20 -0.16 -0.97 0.00 0.00 0.00 176.54 175.38 3lys h TYR 84 N 0.58 0.56 -0.58 5.60 -1.99 -1.38 0.14 116.97 119.90 3lys h TYR 84 Ca 0.18 -0.10 -0.09 0.00 2.00 0.00 0.00 58.73 60.73 3lys h TYR 84 Cb -0.01 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 38.55 3lys h TYR 84 CO -0.06 0.65 0.02 0.93 -0.00 0.00 0.00 178.16 179.70 3lys h GLU 85 N 0.47 0.99 0.13 4.88 5.08 -0.77 0.15 114.58 125.52 3lys h GLU 85 Ca 0.08 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3lys h GLU 85 Cb 0.55 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3lys h GLU 85 CO 0.04 0.97 -0.06 0.37 -1.00 0.00 0.00 179.01 179.32 3lys h GLN 86 N 0.92 -0.17 -0.77 2.33 5.75 -0.56 -0.47 115.11 122.13 3lys h GLN 86 Ca 0.17 0.01 0.10 0.00 -0.15 0.00 0.00 58.65 58.78 3lys h GLN 86 Cb 0.51 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 29.05 3lys h GLN 86 CO 0.02 0.10 0.50 1.15 -2.65 0.00 0.00 178.83 177.96 3lys h THR 87 N -0.44 0.94 0.39 2.39 2.02 -0.56 0.21 112.91 117.86 3lys h THR 87 Ca -0.02 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 3lys h THR 87 Cb 0.35 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3lys h THR 87 CO 0.03 0.13 -0.19 0.25 0.37 0.00 0.00 175.52 176.11 3lys h LEU 88 N 0.69 -0.44 -0.13 2.58 5.85 -0.31 -0.05 115.31 123.49 3lys h LEU 88 Ca 0.35 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.07 3lys h LEU 88 Cb 0.46 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.54 3lys h LEU 88 CO -0.13 -0.23 -0.41 0.50 -0.34 0.00 0.00 178.44 177.82 3lys h LYS 89 N -0.63 -0.47 -0.55 1.25 3.64 0.25 -0.57 116.57 119.49 3lys h LYS 89 Ca -0.05 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.47 3lys h LYS 89 Cb 0.46 0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 32.28 3lys h LYS 89 CO 0.09 -0.31 -0.22 1.88 -2.27 0.00 0.00 179.45 178.61 3lys h TYR 90 N -0.48 -0.56 -0.67 1.91 0.99 -0.56 0.53 116.97 118.13 3lys h TYR 90 Ca 0.08 0.06 0.12 0.00 2.00 0.00 0.00 58.73 60.98 3lys h TYR 90 Cb 0.62 0.33 -0.09 0.00 1.00 0.00 0.00 36.73 38.60 3lys h TYR 90 CO -0.48 -0.31 0.24 1.25 -0.00 0.00 0.00 178.16 178.85 3lys h LEU 91 N -0.09 0.20 -1.63 3.88 5.85 0.23 0.53 115.31 124.28 3lys h LEU 91 Ca 0.25 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.07 3lys h LEU 91 Cb 0.49 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3lys h LEU 91 CO -0.61 0.09 0.16 0.11 -0.34 0.00 0.00 178.44 177.85 3lys h LYS 92 N 0.39 0.40 0.00 1.25 1.57 0.56 -3.32 116.57 117.43 3lys h LYS 92 Ca 0.36 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3lys h LYS 92 Cb 0.51 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3lys h LYS 92 CO -0.37 0.30 0.00 2.41 -0.57 0.00 0.00 179.45 181.22 3lys n THR 93 N -4.45 0.00 0.00 -0.16 -1.04 0.06 -3.64 114.28 105.05 3lys n THR 93 Ca 0.01 0.42 0.00 0.00 -2.04 0.00 0.00 64.05 62.44 3lys n THR 93 Cb 0.10 -0.91 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 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 -0.97 0.00 0.00 -1.42 4.01 -0.47 -5.02 117.16 113.28 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 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 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 0.73 0.00 0.00 -0.72 -0.04 -1.24 -5.01 135.00 128.72 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 1.70 -4.66 3.54 3.02 -1.26 -4.70 115.26 112.89 3lys n ASN 97 Ca 0.00 -1.31 -0.42 0.00 -0.03 0.00 0.00 54.58 52.81 3lys n ASN 97 Cb 0.00 -0.33 -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 3.56 -0.01 2.41 1.01 -1.26 -4.93 120.40 121.24 3lys s VAL 98 Ca 0.00 0.72 -0.22 0.00 0.00 0.00 0.00 61.98 62.48 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 0.66 -0.76 0.00 0.00 0.00 175.10 174.94 3lys s LEU 99 N 3.87 4.39 0.44 3.92 1.02 -1.26 -0.51 118.68 130.55 3lys s LEU 99 Ca 0.73 1.22 0.23 0.00 0.02 0.00 0.00 54.13 56.33 3lys s LEU 99 Cb -0.33 -3.03 1.22 0.00 0.02 0.00 0.00 46.19 44.07 3lys s LEU 99 CO 0.29 0.02 1.78 -0.29 0.02 0.00 0.00 176.35 178.18 3lys h ILE 100 N 4.31 0.50 0.00 -0.59 6.09 -1.26 0.37 117.51 126.92 3lys h ILE 100 Ca -0.44 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 62.95 3lys h ILE 100 Cb 1.20 0.18 0.00 0.00 0.47 0.00 0.00 36.82 38.67 3lys h ILE 100 CO 0.72 0.05 0.00 -1.54 -3.07 0.00 0.00 178.15 174.31 3lys n SER 101 N -4.52 0.00 -0.03 2.19 3.41 -1.26 -3.27 113.62 110.14 3lys n SER 101 Ca 0.25 -0.25 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 3lys n SER 101 Cb 0.96 -0.24 -0.14 0.00 -0.26 0.00 0.00 64.21 64.53 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 -1.24 0.76 -1.74 4.33 1.02 0.13 -4.98 120.64 118.92 3lys n GLU 102 Ca 0.15 -0.12 -0.42 0.00 -0.02 0.00 0.00 57.16 56.76 3lys n GLU 102 Cb 0.22 -1.43 -0.02 0.00 -0.02 0.00 0.00 31.44 30.19 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 -2.28 0.79 -4.41 -3.67 5.41 -1.03 -5.00 119.36 109.17 3lys n ILE 103 Ca -0.11 -0.20 -0.21 0.00 1.00 0.00 0.00 62.75 63.24 3lys n ILE 103 Cb 0.65 -1.98 -0.10 0.00 -0.71 0.00 0.00 39.64 37.50 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 0.26 1.65 0.47 1.39 -4.23 -1.26 -4.91 115.64 109.01 3lys s THR 104 Ca 0.66 -2.14 0.22 0.00 -1.18 0.00 0.00 61.69 59.26 3lys s THR 104 Cb -0.50 -2.38 0.40 0.00 1.34 0.00 0.00 72.50 71.36 3lys s THR 104 CO 0.45 -0.35 1.91 0.00 -0.54 0.00 0.00 174.62 176.09 3lys h ALA 105 N 2.33 2.40 0.00 3.99 0.00 -1.94 -0.24 119.26 125.80 3lys h ALA 105 Ca -0.40 -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 -0.63 -0.00 0.77 0.00 0.00 0.00 179.25 180.05 3lys h SER 106 N 0.23 -0.00 -0.21 0.00 0.02 -1.95 -2.41 113.55 109.22 3lys h SER 106 Ca 0.39 -0.85 0.04 0.00 -0.84 0.00 0.00 61.79 60.53 3lys h SER 106 Cb 1.19 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.66 3lys h SER 106 CO -0.09 0.86 -0.51 0.28 -1.14 0.00 0.00 176.83 176.23 3lys h SER 107 N -0.87 -1.62 -0.22 3.07 0.02 -1.65 0.36 113.55 112.63 3lys h SER 107 Ca -0.00 0.21 0.05 0.00 -0.84 0.00 0.00 61.79 61.21 3lys h SER 107 Cb 0.85 0.65 -0.05 0.00 0.14 0.00 0.00 62.40 63.99 3lys h SER 107 CO 0.00 -0.45 -0.11 0.22 -1.14 0.00 0.00 176.83 175.36 3lys h TYR 108 N -0.50 -0.25 -0.91 3.45 5.03 -1.21 0.28 116.97 122.86 3lys h TYR 108 Ca 0.06 0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.47 3lys h TYR 108 Cb 0.65 0.15 -0.07 0.00 1.55 0.00 0.00 36.73 39.01 3lys h TYR 108 CO -0.59 -0.16 0.56 0.37 -1.32 0.00 0.00 178.16 177.02 3lys h GLN 109 N -0.08 0.96 -0.32 1.82 5.75 -0.86 0.46 115.11 122.85 3lys h GLN 109 Ca 0.12 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.51 3lys h GLN 109 Cb 0.26 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 3lys h GLN 109 CO -0.27 0.64 0.02 -0.09 -2.65 0.00 0.00 178.83 176.48 3lys h ARG 110 N 0.99 0.55 -0.88 1.69 2.43 0.74 0.16 114.38 120.06 3lys h ARG 110 Ca 0.41 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 3lys h ARG 110 Cb 0.24 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 3lys h ARG 110 CO -0.20 0.66 0.48 0.00 -1.51 0.00 0.00 179.97 179.41 3lys h ALA 111 N 0.86 1.13 -0.62 2.80 0.00 0.47 -0.98 119.26 122.91 3lys h ALA 111 Ca 0.09 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3lys h ALA 111 Cb 0.40 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3lys h ALA 111 CO 0.01 0.64 0.12 -0.07 0.00 0.00 0.00 179.25 179.96 3lys h LEU 112 N 1.23 0.94 0.24 0.00 4.07 0.22 -2.36 115.31 119.66 3lys h LEU 112 Ca 0.31 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 3lys h LEU 112 Cb 0.03 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.53 3lys h LEU 112 CO -0.05 0.93 -0.12 0.78 -1.08 0.00 0.00 178.44 178.91 3lys h ASN 113 N 0.95 -0.28 -0.92 -0.43 2.35 0.10 -1.71 115.58 115.63 3lys h ASN 113 Ca 0.20 -0.18 0.24 0.00 -0.55 0.00 0.00 56.30 56.00 3lys h ASN 113 Cb 0.38 0.07 -0.13 0.00 0.05 0.00 0.00 38.32 38.69 3lys h ASN 113 CO 0.01 0.04 0.42 0.50 -1.65 0.00 0.00 177.43 176.75 3lys h LYS 114 N -0.62 0.37 -0.59 0.81 1.63 -1.16 0.18 116.57 117.20 3lys h LYS 114 Ca -0.03 -0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.66 3lys h LYS 114 Cb 0.44 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 3lys h LYS 114 CO 0.05 0.24 0.03 0.35 -3.45 0.00 0.00 179.45 176.68 3lys h PHE 115 N 0.38 1.11 0.00 1.91 3.04 -1.24 -2.96 116.94 119.18 3lys h PHE 115 Ca 0.60 -0.18 -0.01 0.00 3.98 0.00 0.00 57.97 62.35 3lys h PHE 115 Cb 1.18 -0.29 -0.00 0.00 2.56 0.00 0.00 35.95 39.40 3lys h PHE 115 CO -0.12 0.98 -0.06 0.00 -2.02 0.00 0.00 178.31 177.08 3lys h ALA 116 N 0.99 1.24 -0.07 2.41 0.00 0.31 -2.63 119.26 121.50 3lys h ALA 116 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3lys h ALA 116 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3lys h ALA 116 CO 0.03 0.08 0.00 -0.85 0.00 0.00 0.00 179.25 178.50 3lys n GLU 117 N -3.51 1.40 -0.03 0.00 0.28 -1.03 -3.21 120.64 114.55 3lys n GLU 117 Ca -0.02 -0.36 0.00 0.00 -0.16 0.00 0.00 57.16 56.62 3lys n GLU 117 Cb 0.19 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 31.60 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 -0.01 0.00 -3.90 3.84 -2.24 -1.01 -4.58 114.28 106.39 3lys n THR 118 Ca 0.03 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.71 3lys n THR 118 Cb 0.29 0.22 -0.10 0.00 -2.10 0.00 0.00 70.33 68.65 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 0.12 0.78 4.78 3.76 -1.09 -5.09 115.29 118.55 3lys s HIS 119 Ca 0.00 -0.32 -0.11 0.00 -0.15 0.00 0.00 55.06 54.48 3lys s HIS 119 Cb 0.00 -0.09 0.06 0.00 1.11 0.00 0.00 32.58 33.66 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 -1.98 2.25 0.08 -1.40 0.00 -1.26 -2.94 121.76 116.51 3lys s ALA 120 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 51.96 51.51 3lys s ALA 120 Cb -0.05 -3.18 -0.17 0.00 0.00 0.00 0.00 23.12 19.73 3lys s ALA 120 CO -0.01 -1.70 1.58 -0.22 0.00 0.00 0.00 175.76 175.40 3lys h LYS 121 N -1.07 -0.98 -0.93 0.00 3.64 -1.90 0.13 116.57 115.46 3lys h LYS 121 Ca -0.46 0.07 0.24 0.00 -1.27 0.00 0.00 60.65 59.23 3lys h LYS 121 Cb 1.25 0.22 -0.13 0.00 -0.41 0.00 0.00 32.23 33.16 3lys h LYS 121 CO 0.56 -0.65 0.44 0.00 -2.27 0.00 0.00 179.45 177.53 3lys h ALA 122 N -0.83 1.55 0.01 5.00 0.00 -1.95 0.86 119.26 123.90 3lys h ALA 122 Ca -0.07 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3lys h ALA 122 Cb 0.86 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3lys h ALA 122 CO -0.01 -0.37 -0.00 1.03 0.00 0.00 0.00 179.25 179.90 3lys h SER 123 N 0.40 -0.01 -0.60 0.00 0.87 -1.77 -2.25 113.55 110.19 3lys h SER 123 Ca 0.60 -0.41 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3lys h SER 123 Cb 1.18 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.11 3lys h SER 123 CO -0.54 0.41 0.40 0.00 -0.53 0.00 0.00 176.83 176.56 3lys h THR 124 N -0.43 1.15 -0.09 2.23 1.03 0.16 -2.37 112.91 114.59 3lys h THR 124 Ca -0.00 -0.28 -0.00 0.00 -0.01 0.00 0.00 66.41 66.12 3lys h THR 124 Cb 0.42 0.27 -0.00 0.00 -1.07 0.00 0.00 68.15 67.76 3lys h THR 124 CO 0.00 0.15 0.05 0.50 -0.01 0.00 0.00 175.52 176.21 3lys h LYS 125 N 0.81 0.12 -0.86 0.00 3.64 -0.77 -2.14 116.57 117.37 3lys h LYS 125 Ca 0.22 -0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.71 3lys h LYS 125 Cb -0.09 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 31.63 3lys h LYS 125 CO -0.05 0.14 0.48 0.78 -2.27 0.00 0.00 179.45 178.54 3lys h GLY 126 N 0.07 1.37 0.99 5.01 0.00 -0.91 -0.00 103.07 109.60 3lys h GLY 126 Ca 0.03 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 3lys h GLY 126 CO -0.01 0.07 -0.43 -2.75 0.00 0.00 0.00 176.54 173.43 3lys h PHE 127 N 0.76 -1.13 0.01 5.60 3.57 -1.06 -2.28 116.94 122.41 3lys h PHE 127 Ca 0.44 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.93 3lys h PHE 127 Cb 0.49 0.38 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 3lys h PHE 127 CO -0.06 -0.69 -0.34 1.25 -2.23 0.00 0.00 178.31 176.23 3lys h HIS 128 N -1.19 -1.01 -0.77 0.41 2.76 -0.92 -1.27 115.15 113.16 3lys h HIS 128 Ca -0.12 0.03 0.13 0.00 -2.20 0.00 0.00 60.37 58.21 3lys h HIS 128 Cb 0.92 0.44 -0.14 0.00 1.55 0.00 0.00 27.41 30.18 3lys h HIS 128 CO -0.03 -0.37 -0.34 0.00 -1.30 0.00 0.00 177.93 175.89 3lys h THR 129 N -0.44 0.10 -0.65 6.26 1.03 -1.03 0.30 112.91 118.48 3lys h THR 129 Ca 0.01 0.00 0.01 0.00 -0.01 0.00 0.00 66.41 66.42 3lys h THR 129 Cb 0.47 0.10 -0.03 0.00 -1.07 0.00 0.00 68.15 67.62 3lys h THR 129 CO -0.22 0.00 0.43 0.03 -0.01 0.00 0.00 175.52 175.74 3lys h ARG 130 N -0.08 0.84 -0.51 0.00 3.08 -1.12 -1.49 114.38 115.10 3lys h ARG 130 Ca 0.29 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.26 3lys h ARG 130 Cb 0.57 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3lys h ARG 130 CO -0.82 0.56 0.21 0.28 -1.07 0.00 0.00 179.97 179.12 3lys h VAL 131 N 0.87 1.21 -0.42 2.04 2.07 0.07 -2.80 116.25 119.29 3lys h VAL 131 Ca 0.24 -0.66 0.08 0.00 0.82 0.00 0.00 66.70 67.18 3lys h VAL 131 Cb -0.08 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 30.31 3lys h VAL 131 CO -0.06 0.25 -0.04 -0.09 0.02 0.00 0.00 177.57 177.65 3lys h ARG 132 N 0.68 0.06 -0.89 1.57 2.43 0.16 -1.54 114.38 116.86 3lys h ARG 132 Ca 0.17 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.43 3lys h ARG 132 Cb 0.19 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.66 3lys h ARG 132 CO -0.01 0.04 0.53 0.00 -1.51 0.00 0.00 179.97 179.02 3lys h ALA 133 N 1.39 1.27 -0.02 2.80 0.00 -1.04 -0.33 119.26 123.34 3lys h ALA 133 Ca 0.21 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3lys h ALA 133 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3lys h ALA 133 CO -0.38 0.19 -0.30 0.66 0.00 0.00 0.00 179.25 179.42 3lys h SER 134 N 0.91 0.04 0.59 0.00 4.64 -1.10 -2.27 113.55 116.34 3lys h SER 134 Ca 0.42 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.57 3lys h SER 134 Cb 0.33 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3lys h SER 134 CO -0.23 0.34 -0.70 0.40 -0.87 0.00 0.00 176.83 175.77 3lys h ILE 135 N 0.03 1.47 0.03 0.95 5.03 -0.51 -3.25 117.51 121.25 3lys h ILE 135 Ca 0.00 -2.31 0.02 0.00 -0.12 0.00 0.00 64.86 62.45 3lys h ILE 135 Cb 0.55 2.24 -0.05 0.00 -3.03 0.00 0.00 36.82 36.53 3lys h ILE 135 CO 0.04 0.67 -0.51 1.56 -0.68 0.00 0.00 178.15 179.23 3lys h GLN 136 N 0.07 -0.63 -0.66 2.37 1.08 -0.74 0.96 115.11 117.55 3lys h GLN 136 Ca -0.01 0.04 0.13 0.00 -1.45 0.00 0.00 58.65 57.36 3lys h GLN 136 Cb 1.24 0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 28.78 3lys h GLN 136 CO 0.10 -0.42 0.45 0.00 -0.95 0.00 0.00 178.83 178.01 3lys h LEU 138 N 0.35 0.48 0.11 0.00 5.85 -0.94 -0.36 115.31 120.81 3lys h LEU 138 Ca 0.32 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 3lys h LEU 138 Cb 0.75 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.66 3lys h LEU 138 CO -0.09 0.52 -0.05 0.40 -0.34 0.00 0.00 178.44 178.89 3lys h ILE 139 N 0.50 0.79 -0.94 4.05 1.08 0.17 -2.66 117.51 120.50 3lys h ILE 139 Ca 0.11 -1.31 0.26 0.00 -0.39 0.00 0.00 64.86 63.53 3lys h ILE 139 Cb 0.27 1.41 -0.14 0.00 -3.07 0.00 0.00 36.82 35.30 3lys h ILE 139 CO 0.00 0.23 0.44 -0.08 -0.69 0.00 0.00 178.15 178.06 3lys h GLU 140 N -0.94 0.35 0.00 2.37 4.22 -0.38 0.89 114.58 121.09 3lys h GLU 140 Ca -0.02 -0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.35 3lys h GLU 140 Cb 0.50 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3lys h GLU 140 CO 0.02 0.23 -0.24 0.93 -2.18 0.00 0.00 179.01 177.78 3lys h GLU 141 N 0.36 0.00 0.00 1.92 5.08 -1.15 -3.47 114.58 117.32 3lys h GLU 141 Ca 0.62 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.98 3lys h GLU 141 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3lys h GLU 141 CO -0.58 0.24 0.00 0.41 -1.00 0.00 0.00 179.01 178.08 3lys n GLY 142 N 0.02 0.84 0.13 -3.84 0.00 0.31 -4.95 105.19 97.69 3lys n GLY 142 Ca -0.00 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.01 3lys n GLY 142 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3lys h ARG 143 N 2.82 0.00 -4.96 1.61 3.08 -1.67 -3.42 114.38 111.83 3lys h ARG 143 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 3lys h ARG 143 Cb 0.00 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 29.70 3lys h ARG 143 CO 0.00 0.52 -0.85 -1.17 -1.07 0.00 0.00 179.97 177.40 3lys s LEU 144 N -6.43 2.03 0.16 3.04 2.96 -1.08 -5.02 118.68 114.33 3lys s LEU 144 Ca 0.03 -0.62 -0.11 0.00 -0.22 0.00 0.00 54.13 53.22 3lys s LEU 144 Cb 0.08 -1.41 0.00 0.00 0.50 0.00 0.00 46.19 45.36 3lys s LEU 144 CO 0.75 -0.01 1.55 1.56 -1.32 0.00 0.00 176.35 178.88 3lys h GLN 145 N 7.97 0.98 -4.49 1.98 1.08 -1.90 -3.39 115.11 117.33 3lys h GLN 145 Ca -0.44 -0.41 -0.36 0.00 -1.45 0.00 0.00 58.65 55.99 3lys h GLN 145 Cb 1.14 -0.04 -0.29 0.00 -0.05 0.00 0.00 27.48 28.24 3lys h GLN 145 CO 0.61 1.08 -0.77 -1.59 -0.95 0.00 0.00 178.83 177.22 3lys s LYS 146 N -4.71 0.59 -0.43 1.46 -2.85 -1.26 -5.08 119.74 107.47 3lys s LYS 146 Ca -0.12 -0.25 -0.23 0.00 -1.00 0.00 0.00 55.97 54.38 3lys s LYS 146 Cb 0.12 -0.57 0.02 0.00 -2.06 0.00 0.00 37.83 35.34 3lys s LYS 146 CO 0.87 0.14 0.77 0.34 0.10 0.00 0.00 175.35 177.57 3lys s ASP 147 N -0.11 6.44 0.16 0.03 2.15 -1.26 -4.95 116.67 119.13 3lys s ASP 147 Ca 0.02 0.01 -0.07 0.00 0.43 0.00 0.00 52.55 52.94 3lys s ASP 147 Cb -0.03 -2.38 0.01 0.00 -0.30 0.00 0.00 42.92 40.21 3lys s ASP 147 CO -0.00 -0.86 1.44 2.19 -0.17 0.00 0.00 175.17 177.77 3lys h PHE 148 N 8.84 0.85 0.00 -5.34 -5.15 -1.92 -3.07 116.94 111.15 3lys h PHE 148 Ca -0.25 -0.32 0.00 0.00 -0.20 0.00 0.00 57.97 57.20 3lys h PHE 148 Cb 1.09 -0.15 0.00 0.00 0.22 0.00 0.00 35.95 37.11 3lys h PHE 148 CO 0.79 1.11 0.00 0.25 -2.00 0.00 0.00 178.31 178.46 3lys n THR 149 N -3.95 0.00 0.00 0.88 -2.24 -1.26 -3.93 114.28 103.78 3lys n THR 149 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3lys n THR 149 Cb 0.65 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 3lys n THR 149 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 3lys n THR 150 N -0.66 0.00 0.05 4.28 5.66 -1.16 -4.10 114.28 118.35 3lys n THR 150 Ca 0.01 0.41 -0.06 0.00 -3.05 0.00 0.00 64.05 61.36 3lys n THR 150 Cb 0.00 -1.05 0.12 0.00 -1.55 0.00 0.00 70.33 67.85 3lys n THR 150 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 3lys h ARG 151 N 0.00 0.36 0.00 1.09 3.08 -1.85 -2.93 114.38 114.13 3lys h ARG 151 Ca 0.00 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3lys h ARG 151 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3lys h ARG 151 CO 0.00 0.81 0.00 0.00 -1.07 0.00 0.00 179.97 179.71 3lys n ALA 152 N -2.49 1.25 0.00 0.04 0.00 -1.25 -3.33 120.51 114.73 3lys n ALA 152 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3lys n ALA 152 Cb 0.58 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.20 3lys n ALA 152 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3lys n VAL 153 N -0.43 0.00 -3.18 0.00 3.14 -1.11 -4.24 118.33 112.51 3lys n VAL 153 Ca 0.00 0.00 -0.45 0.00 -2.96 0.00 0.00 64.34 60.93 3lys n VAL 153 Cb 0.00 -0.53 -0.04 0.00 -1.06 0.00 0.00 33.84 32.21 3lys n VAL 153 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3lys s VAL 154 N -1.78 5.05 -0.18 1.55 1.01 -1.21 -5.02 120.40 119.82 3lys s VAL 154 Ca 0.00 -1.43 -0.05 0.00 0.00 0.00 0.00 61.98 60.50 3lys s VAL 154 Cb 0.00 -4.47 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 3lys s VAL 154 CO 0.00 -1.08 -0.01 -1.59 0.00 0.00 0.00 175.10 172.42 3lys s LYS 155 N 1.97 3.70 0.00 2.72 0.00 -1.26 -4.97 119.74 121.90 3lys s LYS 155 Ca 0.12 -0.49 0.00 0.00 0.00 0.00 0.00 55.97 55.60 3lys s LYS 155 Cb -0.22 -3.03 0.00 0.00 0.00 0.00 0.00 37.83 34.59 3lys s LYS 155 CO 0.01 0.16 0.00 0.41 0.00 0.00 0.00 175.35 175.93 3lys n GLY 156 N 3.80 -2.76 3.68 0.59 0.00 -1.26 -5.04 105.19 104.19 3lys n GLY 156 Ca -0.17 -0.63 -0.02 0.00 0.00 0.00 0.00 46.02 45.20 3lys n GLY 156 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3lys s LEU 157 N 0.00 -0.15 0.05 0.99 0.05 -1.26 -4.81 118.68 113.55 3lys s LEU 157 Ca 0.00 -0.26 -0.38 0.00 0.05 0.00 0.00 54.13 53.54 3lys s LEU 157 Cb 0.00 1.86 -0.19 0.00 -2.05 0.00 0.00 46.19 45.81 3lys s LEU 157 CO 0.00 -0.65 1.12 -1.84 -0.55 0.00 0.00 176.35 174.43 3lys n GLU 158 N -0.44 0.42 -1.30 1.48 0.00 -1.15 -3.34 120.64 116.32 3lys n GLU 158 Ca -0.07 0.15 0.00 0.00 0.00 0.00 0.00 57.16 57.24 3lys n GLU 158 Cb 0.61 -1.66 0.00 0.00 0.00 0.00 0.00 31.44 30.39 3lys n GLU 158 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 3lys n HIS 159 N 1.69 0.00 -0.54 -1.84 -0.00 -1.26 -4.98 115.22 108.29 3lys n HIS 159 Ca 0.19 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.37 3lys n HIS 159 Cb 0.14 -0.55 0.00 0.00 -0.12 0.00 0.00 29.99 29.46 3lys n HIS 159 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52