#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 4.06 -0.73 0.52 1.10 -1.12 -4.98 121.20 120.05 3lys s ILE 56 Ca 0.00 1.23 -0.19 0.00 -0.51 0.00 0.00 60.65 61.18 3lys s ILE 56 Cb 0.00 -3.98 0.12 0.00 0.15 0.00 0.00 42.46 38.75 3lys s ILE 56 CO 0.00 -0.32 0.86 -0.75 -2.11 0.00 0.00 174.94 172.62 3lys s LYS 57 N 4.07 3.29 -0.05 3.50 2.20 -1.26 -4.20 119.74 127.29 3lys s LYS 57 Ca 0.60 -1.56 -0.31 0.00 -0.36 0.00 0.00 55.97 54.34 3lys s LYS 57 Cb -0.21 -4.47 0.12 0.00 -1.51 0.00 0.00 37.83 31.77 3lys s LYS 57 CO 0.22 -1.60 1.21 -1.14 -0.36 0.00 0.00 175.35 173.68 3lys s GLN 58 N 2.47 0.48 0.06 4.03 0.74 -1.26 -5.08 119.66 121.09 3lys s GLN 58 Ca 0.20 -0.24 -0.20 0.00 0.05 0.00 0.00 55.36 55.17 3lys s GLN 58 Cb -0.16 0.18 -0.06 0.00 1.10 0.00 0.00 33.01 34.07 3lys s GLN 58 CO 0.00 -0.22 0.58 -1.21 -0.55 0.00 0.00 175.29 173.89 3lys s GLU 59 N -2.55 4.24 0.22 1.67 2.02 -1.26 -1.26 118.70 121.77 3lys s GLU 59 Ca 0.12 0.75 -0.11 0.00 0.02 0.00 0.00 54.97 55.75 3lys s GLU 59 Cb 0.02 -3.26 0.30 0.00 0.10 0.00 0.00 34.13 31.29 3lys s GLU 59 CO -0.04 0.57 1.65 0.97 0.02 0.00 0.00 175.26 178.44 3lys h ILE 60 N 3.68 0.45 0.39 -1.63 6.09 -1.17 -0.78 117.51 124.53 3lys h ILE 60 Ca -0.48 -0.03 -0.01 0.00 -1.37 0.00 0.00 64.86 62.96 3lys h ILE 60 Cb 1.21 0.35 -0.01 0.00 0.47 0.00 0.00 36.82 38.84 3lys h ILE 60 CO 0.65 0.02 -0.24 0.77 -3.07 0.00 0.00 178.15 176.27 3lys h SER 61 N 0.09 -0.60 -0.30 2.19 4.64 -1.84 -1.24 113.55 116.49 3lys h SER 61 Ca 0.33 0.04 0.07 0.00 -0.47 0.00 0.00 61.79 61.75 3lys h SER 61 Cb 0.54 0.18 -0.07 0.00 -0.31 0.00 0.00 62.40 62.74 3lys h SER 61 CO -0.57 -0.38 -0.15 -0.08 -0.87 0.00 0.00 176.83 174.78 3lys h GLU 62 N -0.60 -0.10 -0.30 4.77 4.81 -1.78 -2.31 114.58 119.06 3lys h GLU 62 Ca -0.04 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3lys h GLU 62 Cb 0.50 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 3lys h GLU 62 CO 0.04 -0.07 0.14 -0.92 -0.73 0.00 0.00 179.01 177.47 3lys h TYR 63 N -0.11 0.26 -0.67 0.92 5.03 -1.08 -2.08 116.97 119.23 3lys h TYR 63 Ca 0.16 0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.62 3lys h TYR 63 Cb 0.34 -0.07 -0.10 0.00 1.55 0.00 0.00 36.73 38.45 3lys h TYR 63 CO -0.35 0.14 0.10 0.35 -1.32 0.00 0.00 178.16 177.08 3lys h PHE 64 N 0.30 0.13 0.13 -3.82 3.04 -0.67 0.41 116.94 116.46 3lys h PHE 64 Ca 0.12 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.11 3lys h PHE 64 Cb 0.05 0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.61 3lys h PHE 64 CO -0.10 -0.11 -0.06 -0.22 -2.02 0.00 0.00 178.31 175.79 3lys h LYS 65 N 0.20 -0.17 -0.42 1.11 3.64 -1.19 -2.82 116.57 116.93 3lys h LYS 65 Ca 0.36 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.84 3lys h LYS 65 Cb 0.60 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.36 3lys h LYS 65 CO -0.50 -0.10 -0.32 0.22 -2.27 0.00 0.00 179.45 176.48 3lys h ASP 66 N -0.19 -1.06 0.00 4.20 1.82 -0.32 -1.43 116.42 119.44 3lys h ASP 66 Ca -0.02 0.19 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 3lys h ASP 66 Cb 0.15 0.50 0.00 0.00 0.68 0.00 0.00 39.33 40.66 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 0.13 -2.71 117.44 109.72 3lys n TRP 67 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.51 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 0.06 0.00 -0.09 5.87 1.02 -0.54 -1.48 120.64 125.48 3lys n GLU 69 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 3lys n GLU 69 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 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 -0.20 -4.62 4.77 -1.10 -4.34 117.00 113.36 3lys n LEU 70 Ca 0.00 0.51 0.11 0.00 -0.03 0.00 0.00 56.01 56.60 3lys n LEU 70 Cb 0.00 -0.89 -0.05 0.00 -2.33 0.00 0.00 43.42 40.16 3lys n LEU 70 CO 0.00 -0.12 0.12 -1.22 -1.33 0.00 0.00 177.39 174.84 3lys n TYR 71 N -4.51 0.00 -0.03 -1.77 4.02 -0.55 -4.69 117.16 109.63 3lys n TYR 71 Ca -0.20 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.62 3lys n TYR 71 Cb 0.48 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.76 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 -0.91 0.14 0.00 -0.72 3.00 -1.26 -4.76 118.16 113.65 3lys n LYS 72 Ca 0.06 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 3lys n LYS 72 Cb 0.38 -0.73 0.00 0.00 0.00 0.00 0.00 35.03 34.68 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 -3.29 0.00 0.00 1.64 0.00 -1.26 -0.85 118.16 114.39 3lys n LYS 73 Ca -0.13 0.00 0.15 0.00 0.00 0.00 0.00 58.31 58.33 3lys n LYS 73 Cb 0.59 0.00 0.88 0.00 0.00 0.00 0.00 35.03 36.50 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 0.09 3.14 3.02 -1.26 -3.65 115.26 116.60 3lys n ASN 74 Ca 0.00 -0.88 -0.23 0.00 -0.03 0.00 0.00 54.58 53.44 3lys n ASN 74 Cb 0.00 -0.02 -0.15 0.00 -0.61 0.00 0.00 39.78 39.00 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 3.84 0.02 -1.89 5.41 0.00 -1.29 -3.47 119.26 121.88 3lys h ALA 75 Ca 0.00 -1.00 -0.45 0.00 0.00 0.00 0.00 54.91 53.46 3lys h ALA 75 Cb 0.02 0.34 0.02 0.00 0.00 0.00 0.00 17.79 18.17 3lys h ALA 75 CO 0.00 0.83 -0.19 -1.50 0.00 0.00 0.00 179.25 178.40 3lys s ILE 76 N -2.56 3.76 0.76 0.00 1.10 -0.31 -5.06 121.20 118.89 3lys s ILE 76 Ca -0.14 -0.74 -0.16 0.00 -0.51 0.00 0.00 60.65 59.11 3lys s ILE 76 Cb 0.04 -3.35 -0.03 0.00 0.15 0.00 0.00 42.46 39.27 3lys s ILE 76 CO 0.88 -0.20 0.49 -0.67 -2.11 0.00 0.00 174.94 173.33 3lys n ASP 77 N -1.94 -1.39 -0.76 4.50 4.64 -1.26 -4.79 116.55 115.54 3lys n ASP 77 Ca 0.02 0.55 0.00 0.00 -1.38 0.00 0.00 54.79 53.98 3lys n ASP 77 Cb 0.58 -1.21 0.00 0.00 -1.04 0.00 0.00 41.12 39.46 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 -0.80 0.56 0.00 -0.67 4.07 -1.26 -1.52 120.64 121.02 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 0.50 -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 0.48 0.00 0.24 6.31 -1.04 -1.26 -2.76 114.28 116.25 3lys n THR 80 Ca 0.00 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.09 3lys n THR 80 Cb 0.21 0.00 0.60 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 -0.98 -1.42 3.20 -1.58 -1.50 116.97 114.69 3lys h TYR 81 Ca 0.00 0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.02 3lys h TYR 81 Cb 0.00 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.18 3lys h TYR 81 CO 0.00 0.16 0.61 0.87 -1.64 0.00 0.00 178.16 178.16 3lys h LYS 82 N 0.00 0.82 -0.45 1.82 1.79 -1.80 -1.41 116.57 117.33 3lys h LYS 82 Ca -0.00 -0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.45 3lys h LYS 82 Cb 0.32 -0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 30.75 3lys h LYS 82 CO 0.02 0.54 0.23 0.78 -1.08 0.00 0.00 179.45 179.94 3lys h GLY 83 N 0.84 0.63 1.54 3.86 0.00 -1.60 -0.65 103.07 107.70 3lys h GLY 83 Ca 0.51 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.60 3lys h GLY 83 CO -0.28 0.11 -0.12 -0.97 0.00 0.00 0.00 176.54 175.28 3lys h TYR 84 N 0.46 0.59 -0.58 5.60 -1.99 -1.37 0.18 116.97 119.86 3lys h TYR 84 Ca 0.20 -0.09 -0.09 0.00 2.00 0.00 0.00 58.73 60.74 3lys h TYR 84 Cb 0.09 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 38.64 3lys h TYR 84 CO -0.10 0.65 0.02 0.93 -0.00 0.00 0.00 178.16 179.66 3lys h GLU 85 N 0.50 0.99 0.19 4.88 5.08 -0.70 0.18 114.58 125.70 3lys h GLU 85 Ca 0.09 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3lys h GLU 85 Cb 0.51 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3lys h GLU 85 CO 0.03 0.96 -0.09 0.37 -1.00 0.00 0.00 179.01 179.29 3lys h GLN 86 N 0.92 -0.24 -0.87 2.33 5.75 -0.46 -0.32 115.11 122.21 3lys h GLN 86 Ca 0.17 0.02 0.12 0.00 -0.15 0.00 0.00 58.65 58.81 3lys h GLN 86 Cb 0.51 0.05 -0.07 0.00 1.07 0.00 0.00 27.48 29.05 3lys h GLN 86 CO 0.02 0.04 0.56 1.15 -2.65 0.00 0.00 178.83 177.96 3lys h THR 87 N -0.51 0.89 0.48 2.39 2.02 -0.48 0.25 112.91 117.94 3lys h THR 87 Ca -0.03 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 3lys h THR 87 Cb 0.39 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3lys h THR 87 CO 0.04 0.14 -0.23 0.25 0.37 0.00 0.00 175.52 176.09 3lys h LEU 88 N 0.74 -0.54 -0.24 2.58 5.85 -0.23 0.10 115.31 123.56 3lys h LEU 88 Ca 0.42 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.18 3lys h LEU 88 Cb 0.59 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.68 3lys h LEU 88 CO -0.19 -0.33 -0.39 0.50 -0.34 0.00 0.00 178.44 177.69 3lys h LYS 89 N -0.71 -0.38 -0.51 1.25 3.64 0.55 -0.56 116.57 119.85 3lys h LYS 89 Ca -0.07 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.44 3lys h LYS 89 Cb 0.53 0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.33 3lys h LYS 89 CO 0.11 -0.25 -0.17 1.88 -2.27 0.00 0.00 179.45 178.75 3lys h TYR 90 N -0.39 -0.39 -0.69 1.91 0.99 -0.49 -0.02 116.97 117.89 3lys h TYR 90 Ca 0.11 0.05 0.12 0.00 2.00 0.00 0.00 58.73 61.01 3lys h TYR 90 Cb 0.59 0.25 -0.08 0.00 1.00 0.00 0.00 36.73 38.48 3lys h TYR 90 CO -0.51 -0.26 0.27 1.25 -0.00 0.00 0.00 178.16 178.91 3lys h LEU 91 N -0.05 0.26 -1.67 3.88 5.85 0.48 0.10 115.31 124.17 3lys h LEU 91 Ca 0.24 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 3lys h LEU 91 Cb 0.42 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3lys h LEU 91 CO -0.55 0.13 0.14 0.11 -0.34 0.00 0.00 178.44 177.93 3lys h LYS 92 N 0.44 0.36 0.00 1.25 1.57 0.38 -3.32 116.57 117.25 3lys h LYS 92 Ca 0.37 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 3lys h LYS 92 Cb 0.50 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3lys h LYS 92 CO -0.36 0.27 0.00 2.41 -0.57 0.00 0.00 179.45 181.21 3lys n THR 93 N -4.46 0.00 0.00 -0.16 -1.04 -0.10 -3.59 114.28 104.92 3lys n THR 93 Ca 0.01 0.32 0.00 0.00 -2.04 0.00 0.00 64.05 62.34 3lys n THR 93 Cb 0.10 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 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 -0.75 0.00 0.00 -1.42 4.01 -0.47 -5.02 117.16 113.51 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 0.64 0.00 0.00 -0.72 -0.04 -1.24 -5.01 135.00 128.64 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 -4.67 3.54 3.02 -1.26 -4.70 115.26 112.89 3lys n ASN 97 Ca 0.00 -1.32 -0.42 0.00 -0.03 0.00 0.00 54.58 52.80 3lys n ASN 97 Cb 0.00 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 38.81 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 0.04 3.57 -0.00 2.41 1.01 -1.26 -4.94 120.40 121.23 3lys s VAL 98 Ca 0.00 0.75 -0.22 0.00 0.00 0.00 0.00 61.98 62.51 3lys s VAL 98 Cb 0.00 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 3lys s VAL 98 CO 0.00 -0.05 0.64 -0.76 0.00 0.00 0.00 175.10 174.92 3lys s LEU 99 N 3.72 4.41 0.44 3.92 1.02 -1.26 -0.63 118.68 130.31 3lys s LEU 99 Ca 0.72 1.21 0.23 0.00 0.02 0.00 0.00 54.13 56.31 3lys s LEU 99 Cb -0.33 -3.00 1.23 0.00 0.02 0.00 0.00 46.19 44.11 3lys s LEU 99 CO 0.29 0.06 1.79 -0.29 0.02 0.00 0.00 176.35 178.22 3lys h ILE 100 N 4.21 0.51 -0.00 -0.59 6.09 -1.47 0.35 117.51 126.61 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 0.20 0.00 0.00 0.47 0.00 0.00 36.82 38.69 3lys h ILE 100 CO 0.71 0.05 -0.00 -1.54 -3.07 0.00 0.00 178.15 174.29 3lys n SER 101 N -4.50 0.02 -0.03 2.19 3.41 -1.26 -3.31 113.62 110.13 3lys n SER 101 Ca 0.24 -0.31 0.03 0.00 -0.26 0.00 0.00 58.87 58.57 3lys n SER 101 Cb 0.95 -0.23 -0.14 0.00 -0.26 0.00 0.00 64.21 64.54 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 -1.22 0.78 -1.74 4.33 1.02 0.12 -4.98 120.64 118.96 3lys n GLU 102 Ca 0.16 -0.11 -0.42 0.00 -0.02 0.00 0.00 57.16 56.77 3lys n GLU 102 Cb 0.22 -1.44 -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 -2.30 0.82 -4.40 -3.67 5.41 -1.03 -4.99 119.36 109.20 3lys n ILE 103 Ca -0.12 -0.21 -0.20 0.00 1.00 0.00 0.00 62.75 63.23 3lys n ILE 103 Cb 0.67 -1.94 -0.10 0.00 -0.71 0.00 0.00 39.64 37.56 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 0.22 1.63 0.49 1.39 -4.23 -1.26 -4.97 115.64 108.91 3lys s THR 104 Ca 0.66 -2.14 0.24 0.00 -1.18 0.00 0.00 61.69 59.27 3lys s THR 104 Cb -0.51 -2.34 0.42 0.00 1.34 0.00 0.00 72.50 71.41 3lys s THR 104 CO 0.45 -0.38 1.92 0.00 -0.54 0.00 0.00 174.62 176.07 3lys h ALA 105 N 2.36 2.49 0.01 3.99 0.00 -1.95 -0.44 119.26 125.73 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 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3lys h ALA 105 CO 0.66 -0.71 -0.00 0.77 0.00 0.00 0.00 179.25 179.96 3lys h SER 106 N 0.16 -0.01 -0.26 0.00 0.02 -1.96 -2.51 113.55 108.99 3lys h SER 106 Ca 0.38 -0.82 0.05 0.00 -0.84 0.00 0.00 61.79 60.55 3lys h SER 106 Cb 1.25 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.72 3lys h SER 106 CO -0.06 0.85 -0.50 0.28 -1.14 0.00 0.00 176.83 176.26 3lys h SER 107 N -0.90 -1.61 -0.31 3.07 0.02 -1.65 0.29 113.55 112.46 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 0.83 0.66 -0.05 0.00 0.14 0.00 0.00 62.40 63.98 3lys h SER 107 CO 0.00 -0.43 0.02 0.22 -1.14 0.00 0.00 176.83 175.51 3lys h TYR 108 N -0.46 0.03 -0.95 3.45 5.03 -1.26 0.33 116.97 123.13 3lys h TYR 108 Ca 0.08 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.46 3lys h TYR 108 Cb 0.63 0.04 -0.06 0.00 1.55 0.00 0.00 36.73 38.89 3lys h TYR 108 CO -0.61 -0.03 0.61 0.37 -1.32 0.00 0.00 178.16 177.19 3lys h GLN 109 N 0.12 1.12 -0.24 1.82 5.75 -0.89 0.46 115.11 123.25 3lys h GLN 109 Ca 0.15 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 3lys h GLN 109 Cb 0.19 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 3lys h GLN 109 CO -0.23 0.74 0.00 -0.09 -2.65 0.00 0.00 178.83 176.60 3lys h ARG 110 N 1.16 0.41 -0.86 1.69 2.43 0.58 0.22 114.38 120.02 3lys h ARG 110 Ca 0.39 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3lys h ARG 110 Cb 0.07 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 3lys h ARG 110 CO -0.14 0.59 0.55 0.00 -1.51 0.00 0.00 179.97 179.45 3lys h ALA 111 N 0.81 1.09 -0.74 2.80 0.00 0.31 -0.86 119.26 122.67 3lys h ALA 111 Ca 0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 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 0.52 0.28 -0.07 0.00 0.00 0.00 179.25 179.99 3lys h LEU 112 N 1.17 1.02 0.23 0.00 4.07 0.26 -2.28 115.31 119.77 3lys h LEU 112 Ca 0.31 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 3lys h LEU 112 Cb -0.10 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.38 3lys h LEU 112 CO -0.06 0.91 -0.11 0.78 -1.08 0.00 0.00 178.44 178.88 3lys h ASN 113 N 1.07 -0.26 -0.95 -0.43 2.35 0.28 -2.03 115.58 115.62 3lys h ASN 113 Ca 0.25 -0.20 0.24 0.00 -0.55 0.00 0.00 56.30 56.03 3lys h ASN 113 Cb 0.22 0.07 -0.13 0.00 0.05 0.00 0.00 38.32 38.53 3lys h ASN 113 CO -0.02 0.08 0.49 0.50 -1.65 0.00 0.00 177.43 176.83 3lys h LYS 114 N -0.62 0.44 -0.55 0.81 1.63 -1.10 0.20 116.57 117.38 3lys h LYS 114 Ca -0.03 -0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 59.66 3lys h LYS 114 Cb 0.45 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.96 3lys h LYS 114 CO 0.05 0.29 0.04 0.35 -3.45 0.00 0.00 179.45 176.73 3lys h PHE 115 N 0.45 1.02 0.00 1.91 3.04 -1.27 -3.04 116.94 119.05 3lys h PHE 115 Ca 0.62 -0.16 -0.01 0.00 3.98 0.00 0.00 57.97 62.39 3lys h PHE 115 Cb 1.20 -0.27 -0.00 0.00 2.56 0.00 0.00 35.95 39.44 3lys h PHE 115 CO -0.07 0.92 -0.06 0.00 -2.02 0.00 0.00 178.31 177.08 3lys h ALA 116 N 0.97 1.28 -0.09 2.41 0.00 0.14 -2.45 119.26 121.53 3lys h ALA 116 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3lys h ALA 116 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3lys h ALA 116 CO 0.02 0.07 0.00 -0.85 0.00 0.00 0.00 179.25 178.49 3lys n GLU 117 N -3.56 1.45 0.00 0.00 0.28 -1.03 -3.26 120.64 114.52 3lys n GLU 117 Ca -0.02 -0.41 0.00 0.00 -0.16 0.00 0.00 57.16 56.56 3lys n GLU 117 Cb 0.17 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 31.58 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 -3.96 3.84 -2.24 -0.94 -5.12 114.28 105.86 3lys n THR 118 Ca 0.04 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.72 3lys n THR 118 Cb 0.30 0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 68.78 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 0.80 4.78 3.76 -1.07 -5.13 115.29 118.67 3lys s HIS 119 Ca 0.00 -0.53 -0.11 0.00 -0.15 0.00 0.00 55.06 54.27 3lys s HIS 119 Cb 0.00 -0.18 0.07 0.00 1.11 0.00 0.00 32.58 33.58 3lys s HIS 119 CO 0.00 -0.30 1.09 0.00 -0.85 0.00 0.00 174.74 174.68 3lys s ALA 120 N -2.21 2.15 0.08 -1.40 0.00 -1.25 -4.43 121.76 114.70 3lys s ALA 120 Ca -0.09 -0.02 -0.34 0.00 0.00 0.00 0.00 51.96 51.52 3lys s ALA 120 Cb -0.04 -3.18 -0.17 0.00 0.00 0.00 0.00 23.12 19.74 3lys s ALA 120 CO -0.03 -1.80 1.59 -0.22 0.00 0.00 0.00 175.76 175.30 3lys h LYS 121 N -1.14 -0.93 -0.93 0.00 3.64 -1.82 0.14 116.57 115.53 3lys h LYS 121 Ca -0.46 0.06 0.22 0.00 -1.27 0.00 0.00 60.65 59.20 3lys h LYS 121 Cb 1.25 0.21 -0.12 0.00 -0.41 0.00 0.00 32.23 33.16 3lys h LYS 121 CO 0.56 -0.62 0.48 0.00 -2.27 0.00 0.00 179.45 177.60 3lys h ALA 122 N -0.70 1.55 0.09 5.00 0.00 -1.93 0.91 119.26 124.18 3lys h ALA 122 Ca -0.06 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3lys h ALA 122 Cb 0.81 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3lys h ALA 122 CO 0.01 -0.28 -0.04 1.03 0.00 0.00 0.00 179.25 179.97 3lys h SER 123 N 0.50 -0.11 -0.88 0.00 0.87 -1.78 -2.25 113.55 109.90 3lys h SER 123 Ca 0.58 -0.32 0.04 0.00 -1.23 0.00 0.00 61.79 60.86 3lys h SER 123 Cb 1.07 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 63.00 3lys h SER 123 CO -0.49 0.28 0.58 0.00 -0.53 0.00 0.00 176.83 176.67 3lys h THR 124 N -0.51 1.12 -0.33 2.23 1.03 0.01 -2.21 112.91 114.26 3lys h THR 124 Ca -0.01 -0.37 0.02 0.00 -0.01 0.00 0.00 66.41 66.04 3lys h THR 124 Cb 0.42 -0.04 -0.02 0.00 -1.07 0.00 0.00 68.15 67.44 3lys h THR 124 CO 0.02 0.20 0.18 0.50 -0.01 0.00 0.00 175.52 176.41 3lys h LYS 125 N 1.07 0.36 -0.83 0.00 3.64 -0.75 -2.04 116.57 118.02 3lys h LYS 125 Ca 0.36 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.78 3lys h LYS 125 Cb 0.08 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 3lys h LYS 125 CO -0.12 0.24 0.51 0.78 -2.27 0.00 0.00 179.45 178.59 3lys h GLY 126 N 0.37 1.24 0.89 5.01 0.00 -0.81 -0.27 103.07 109.50 3lys h GLY 126 Ca 0.13 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 3lys h GLY 126 CO -0.08 0.24 -0.41 -2.75 0.00 0.00 0.00 176.54 173.55 3lys h PHE 127 N 0.92 -1.08 0.03 5.60 3.57 -0.96 -2.27 116.94 122.74 3lys h PHE 127 Ca 0.36 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.85 3lys h PHE 127 Cb 0.18 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 3lys h PHE 127 CO -0.04 -0.63 -0.22 1.25 -2.23 0.00 0.00 178.31 176.44 3lys h HIS 128 N -1.05 -0.65 -0.89 0.41 2.76 -1.00 -1.24 115.15 113.48 3lys h HIS 128 Ca -0.09 0.02 0.15 0.00 -2.20 0.00 0.00 60.37 58.25 3lys h HIS 128 Cb 0.83 0.28 -0.15 0.00 1.55 0.00 0.00 27.41 29.92 3lys h HIS 128 CO -0.08 -0.25 -0.34 0.00 -1.30 0.00 0.00 177.93 175.97 3lys h THR 129 N -0.30 0.06 -0.57 6.26 1.03 -1.10 0.28 112.91 118.57 3lys h THR 129 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 66.41 66.41 3lys h THR 129 Cb 0.31 0.06 -0.03 0.00 -1.07 0.00 0.00 68.15 67.42 3lys h THR 129 CO -0.13 0.00 0.37 0.03 -0.01 0.00 0.00 175.52 175.78 3lys h ARG 130 N -0.04 0.73 -0.65 0.00 3.08 -1.14 -1.34 114.38 115.03 3lys h ARG 130 Ca 0.34 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.33 3lys h ARG 130 Cb 0.60 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 3lys h ARG 130 CO -0.91 0.49 0.31 0.28 -1.07 0.00 0.00 179.97 179.06 3lys h VAL 131 N 0.76 1.22 -0.27 2.04 2.07 0.26 -2.77 116.25 119.55 3lys h VAL 131 Ca 0.21 -0.63 0.06 0.00 0.82 0.00 0.00 66.70 67.16 3lys h VAL 131 Cb -0.07 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.08 3lys h VAL 131 CO -0.05 0.26 -0.10 -0.09 0.02 0.00 0.00 177.57 177.61 3lys h ARG 132 N 0.90 -0.04 -1.01 1.57 2.43 0.08 -1.74 114.38 116.56 3lys h ARG 132 Ca 0.22 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.51 3lys h ARG 132 Cb 0.12 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.60 3lys h ARG 132 CO -0.03 -0.03 0.64 0.00 -1.51 0.00 0.00 179.97 179.04 3lys h ALA 133 N 1.21 1.52 0.00 2.80 0.00 -0.99 0.07 119.26 123.86 3lys h ALA 133 Ca 0.14 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3lys h ALA 133 Cb 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3lys h ALA 133 CO -0.31 0.24 -0.34 0.66 0.00 0.00 0.00 179.25 179.50 3lys h SER 134 N 1.00 0.00 0.54 0.00 4.64 -1.12 -2.67 113.55 115.94 3lys h SER 134 Ca 0.50 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.64 3lys h SER 134 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 3lys h SER 134 CO -0.26 0.34 -0.78 0.40 -0.87 0.00 0.00 176.83 175.66 3lys h ILE 135 N 0.00 1.47 -0.05 0.95 5.03 -0.50 -3.25 117.51 121.16 3lys h ILE 135 Ca -0.00 -2.42 0.03 0.00 -0.12 0.00 0.00 64.86 62.35 3lys h ILE 135 Cb 0.66 2.31 -0.06 0.00 -3.03 0.00 0.00 36.82 36.70 3lys h ILE 135 CO 0.04 0.71 -0.49 1.56 -0.68 0.00 0.00 178.15 179.29 3lys h GLN 136 N 0.12 -0.58 -0.34 2.37 1.08 -0.99 0.14 115.11 116.90 3lys h GLN 136 Ca -0.03 0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.27 3lys h GLN 136 Cb 1.36 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.91 3lys h GLN 136 CO 0.12 -0.39 0.24 0.00 -0.95 0.00 0.00 178.83 177.84 3lys h LEU 138 N 0.23 0.60 0.13 0.00 5.85 -0.85 -1.05 115.31 120.22 3lys h LEU 138 Ca 0.15 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3lys h LEU 138 Cb 0.32 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3lys h LEU 138 CO -0.03 0.64 -0.06 0.40 -0.34 0.00 0.00 178.44 179.05 3lys h ILE 139 N 0.62 0.79 -0.70 4.05 1.08 0.15 -0.05 117.51 123.45 3lys h ILE 139 Ca 0.13 -1.23 0.15 0.00 -0.39 0.00 0.00 64.86 63.52 3lys h ILE 139 Cb 0.31 1.38 -0.13 0.00 -3.07 0.00 0.00 36.82 35.32 3lys h ILE 139 CO 0.01 0.22 -0.08 -0.08 -0.69 0.00 0.00 178.15 177.53 3lys h GLU 140 N -0.92 0.05 0.00 2.37 4.22 -0.47 0.82 114.58 120.65 3lys h GLU 140 Ca -0.02 -0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.37 3lys h GLU 140 Cb 0.51 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3lys h GLU 140 CO 0.03 0.03 -0.22 0.93 -2.18 0.00 0.00 179.01 177.60 3lys h GLU 141 N 0.05 0.00 -0.67 1.92 5.08 -1.31 -3.47 114.58 116.19 3lys h GLU 141 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 3lys h GLU 141 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3lys h GLU 141 CO -0.67 0.22 0.00 0.41 -1.00 0.00 0.00 179.01 177.98 3lys n GLY 142 N -0.54 0.88 0.00 -3.84 0.00 0.29 -4.99 105.19 96.99 3lys n GLY 142 Ca -0.02 -0.36 0.07 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.33 1.83 -4.58 1.61 1.74 -0.05 -4.68 116.66 112.19 3lys n ARG 143 Ca 0.00 -0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.86 3lys n ARG 143 Cb 0.28 -1.24 -0.15 0.00 -1.02 0.00 0.00 32.46 30.33 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 -2.76 2.08 -0.03 0.55 2.96 -1.07 -2.53 118.68 117.88 3lys s LEU 144 Ca 0.06 -0.34 -0.19 0.00 -0.22 0.00 0.00 54.13 53.44 3lys s LEU 144 Cb 0.12 -0.72 -0.11 0.00 0.50 0.00 0.00 46.19 45.97 3lys s LEU 144 CO 0.64 0.14 0.80 -0.61 -1.32 0.00 0.00 176.35 176.00 3lys h GLN 145 N 5.48 -0.54 -3.83 1.98 -0.00 -1.91 -3.43 115.11 112.85 3lys h GLN 145 Ca -0.36 0.04 -0.20 0.00 -0.00 0.00 0.00 58.65 58.12 3lys h GLN 145 Cb 1.17 0.12 -0.25 0.00 0.00 0.00 0.00 27.48 28.52 3lys h GLN 145 CO 0.47 -0.29 -0.71 -1.59 0.00 0.00 0.00 178.83 176.71 3lys s LYS 146 N -3.69 0.13 -0.33 1.69 -2.85 -1.26 -5.11 119.74 108.33 3lys s LYS 146 Ca -0.10 -0.25 -0.29 0.00 -1.00 0.00 0.00 55.97 54.33 3lys s LYS 146 Cb 0.01 0.05 -0.01 0.00 -2.06 0.00 0.00 37.83 35.82 3lys s LYS 146 CO 0.33 -0.02 1.56 0.34 0.10 0.00 0.00 175.35 177.66 3lys s ASP 147 N -0.61 6.26 0.00 0.03 -1.08 -1.26 -4.88 116.67 115.13 3lys s ASP 147 Ca -0.07 1.20 0.26 0.00 -0.52 0.00 0.00 52.55 53.42 3lys s ASP 147 Cb -0.04 -2.53 0.63 0.00 -1.46 0.00 0.00 42.92 39.51 3lys s ASP 147 CO -0.00 -1.43 1.50 2.22 0.52 0.00 0.00 175.17 177.98 3lys n PHE 148 N 9.02 0.00 1.19 -5.34 1.16 -1.26 -3.62 117.46 118.60 3lys n PHE 148 Ca 0.19 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.89 3lys n PHE 148 Cb 0.47 -0.28 0.33 0.00 -1.61 0.00 0.00 39.48 38.39 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 -1.45 0.07 0.00 1.97 -2.24 -1.26 -4.30 114.28 107.06 3lys n THR 149 Ca 0.06 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3lys n THR 149 Cb 0.34 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 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 0.73 0.00 -0.24 4.28 5.66 -1.24 -3.94 114.28 119.53 3lys n THR 150 Ca 0.17 0.09 0.30 0.00 -3.05 0.00 0.00 64.05 61.56 3lys n THR 150 Cb 0.46 -0.71 0.70 0.00 -1.55 0.00 0.00 70.33 69.24 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 0.06 -0.89 1.09 3.08 -1.85 0.07 114.38 115.94 3lys h ARG 151 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3lys h ARG 151 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3lys h ARG 151 CO 0.00 0.04 0.00 0.00 -1.07 0.00 0.00 179.97 178.94 3lys n ALA 152 N -2.70 1.62 0.47 0.04 0.00 -1.26 -3.84 120.51 114.84 3lys n ALA 152 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.68 3lys n ALA 152 Cb 1.03 -1.00 0.14 0.00 0.00 0.00 0.00 19.45 19.62 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 0.55 0.00 -2.69 0.00 3.14 0.01 -4.66 118.33 114.68 3lys n VAL 153 Ca 0.00 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 3lys n VAL 153 Cb 0.11 -0.70 -0.02 0.00 -1.06 0.00 0.00 33.84 32.16 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 -2.00 4.72 -0.14 1.55 1.01 -1.25 -5.01 120.40 119.29 3lys s VAL 154 Ca 0.07 1.98 -0.02 0.00 0.00 0.00 0.00 61.98 64.02 3lys s VAL 154 Cb 0.03 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 32.17 3lys s VAL 154 CO 0.06 -0.13 0.00 -1.59 0.00 0.00 0.00 175.10 173.44 3lys s LYS 155 N 2.89 0.83 0.38 2.72 0.00 -1.26 -4.90 119.74 120.39 3lys s LYS 155 Ca 0.44 -0.23 -0.04 0.00 0.00 0.00 0.00 55.97 56.14 3lys s LYS 155 Cb -0.16 -1.63 0.06 0.00 0.00 0.00 0.00 37.83 36.11 3lys s LYS 155 CO 0.09 -0.45 0.15 0.41 0.00 0.00 0.00 175.35 175.54 3lys n GLY 156 N 5.05 -1.52 0.00 0.59 0.00 -1.26 -5.01 105.19 103.04 3lys n GLY 156 Ca -0.09 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 0.00 0.00 0.99 -0.00 -1.26 -4.64 117.00 112.09 3lys n LEU 157 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 3lys n LEU 157 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 3lys n LEU 157 CO 0.07 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.84