#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lys n ILE 56 N 0.00 1.58 -2.37 0.52 3.06 -1.26 -4.85 119.36 116.03 3lys n ILE 56 Ca 0.00 -1.62 -0.39 0.00 -2.50 0.00 0.00 62.75 58.23 3lys n ILE 56 Cb 0.00 -2.15 -0.03 0.00 0.54 0.00 0.00 39.64 38.00 3lys n ILE 56 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 3lys s LYS 57 N 6.70 3.04 0.01 9.51 2.20 -1.26 -4.67 119.74 135.27 3lys s LYS 57 Ca 0.70 -0.11 -0.28 0.00 -0.36 0.00 0.00 55.97 55.91 3lys s LYS 57 Cb 0.00 -4.45 0.08 0.00 -1.51 0.00 0.00 37.83 31.95 3lys s LYS 57 CO 0.15 -2.41 0.73 -1.14 -0.36 0.00 0.00 175.35 172.31 3lys s GLN 58 N 6.10 1.04 0.37 4.03 0.74 -1.26 -5.09 119.66 125.59 3lys s GLN 58 Ca 0.48 -0.08 -0.26 0.00 0.05 0.00 0.00 55.36 55.55 3lys s GLN 58 Cb -0.08 0.48 -0.09 0.00 1.10 0.00 0.00 33.01 34.42 3lys s GLN 58 CO 0.12 -0.39 1.09 -1.21 -0.55 0.00 0.00 175.29 174.35 3lys s GLU 59 N -2.32 4.27 0.20 1.67 2.02 -1.26 -1.29 118.70 121.99 3lys s GLU 59 Ca -0.03 1.67 -0.10 0.00 0.02 0.00 0.00 54.97 56.52 3lys s GLU 59 Cb -0.01 -2.75 0.24 0.00 0.10 0.00 0.00 34.13 31.71 3lys s GLU 59 CO -0.02 -0.09 1.75 0.97 0.02 0.00 0.00 175.26 177.90 3lys h ILE 60 N 2.47 0.82 0.50 -1.63 6.09 -1.10 -1.29 117.51 123.37 3lys h ILE 60 Ca -0.48 -0.15 -0.02 0.00 -1.37 0.00 0.00 64.86 62.84 3lys h ILE 60 Cb 1.22 0.35 -0.00 0.00 0.47 0.00 0.00 36.82 38.86 3lys h ILE 60 CO 0.64 0.08 -0.28 0.77 -3.07 0.00 0.00 178.15 176.28 3lys h SER 61 N 0.43 -0.69 -0.32 2.19 4.64 -1.84 -0.99 113.55 116.97 3lys h SER 61 Ca 0.28 0.04 0.07 0.00 -0.47 0.00 0.00 61.79 61.71 3lys h SER 61 Cb 0.31 0.20 -0.07 0.00 -0.31 0.00 0.00 62.40 62.53 3lys h SER 61 CO -0.27 -0.46 -0.18 -0.08 -0.87 0.00 0.00 176.83 174.98 3lys h GLU 62 N -0.73 -0.13 -0.27 4.77 4.81 -1.87 -2.05 114.58 119.10 3lys h GLU 62 Ca -0.06 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3lys h GLU 62 Cb 0.59 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 3lys h GLU 62 CO 0.08 -0.09 0.11 -0.92 -0.73 0.00 0.00 179.01 177.46 3lys h TYR 63 N -0.14 0.20 -0.69 0.92 5.03 -1.15 -2.09 116.97 119.06 3lys h TYR 63 Ca 0.16 0.01 0.15 0.00 2.58 0.00 0.00 58.73 61.64 3lys h TYR 63 Cb 0.39 -0.05 -0.11 0.00 1.55 0.00 0.00 36.73 38.51 3lys h TYR 63 CO -0.38 0.10 0.10 0.35 -1.32 0.00 0.00 178.16 177.02 3lys h PHE 64 N 0.24 0.14 0.31 -3.82 3.04 -0.47 0.34 116.94 116.73 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 0.07 0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.62 3lys h PHE 64 CO -0.12 -0.12 -0.17 -0.22 -2.02 0.00 0.00 178.31 175.66 3lys h LYS 65 N 0.20 -0.43 -0.54 1.11 3.64 -1.15 -2.83 116.57 116.57 3lys h LYS 65 Ca 0.38 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.88 3lys h LYS 65 Cb 0.64 0.10 -0.11 0.00 -0.41 0.00 0.00 32.23 32.46 3lys h LYS 65 CO -0.53 -0.29 -0.40 0.22 -2.27 0.00 0.00 179.45 176.19 3lys h ASP 66 N -0.45 -1.36 0.00 4.20 1.82 -0.31 -1.23 116.42 119.10 3lys h ASP 66 Ca -0.04 0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 3lys h ASP 66 Cb 0.36 0.63 0.00 0.00 0.68 0.00 0.00 39.33 41.00 3lys h ASP 66 CO 0.05 -0.33 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 -2.62 117.44 109.79 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 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.66 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 0.01 0.00 -0.08 5.87 1.02 -0.46 -1.55 120.64 125.45 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 -0.25 -4.62 4.77 -1.08 -4.35 117.00 113.30 3lys n LEU 70 Ca 0.00 0.57 0.11 0.00 -0.03 0.00 0.00 56.01 56.66 3lys n LEU 70 Cb 0.00 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 3lys n LEU 70 CO 0.00 -0.25 0.21 -1.22 -1.33 0.00 0.00 177.39 174.80 3lys n TYR 71 N -4.56 0.00 -0.03 -1.77 4.02 -0.59 -4.67 117.16 109.57 3lys n TYR 71 Ca -0.15 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.69 3lys n TYR 71 Cb 0.39 -0.03 -0.02 0.00 -0.02 0.00 0.00 39.34 39.67 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 -0.74 0.11 0.00 -0.72 3.00 -1.26 -4.77 118.16 113.78 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 0.40 -0.71 0.00 0.00 0.00 0.00 0.00 35.03 34.72 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 -3.19 0.00 0.00 1.64 0.00 -1.26 -0.84 118.16 114.51 3lys n LYS 73 Ca -0.10 0.00 0.14 0.00 0.00 0.00 0.00 58.31 58.35 3lys n LYS 73 Cb 0.57 0.00 0.83 0.00 0.00 0.00 0.00 35.03 36.43 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 0.07 3.14 3.02 -1.26 -3.62 115.26 116.61 3lys n ASN 74 Ca 0.00 -0.72 -0.22 0.00 -0.03 0.00 0.00 54.58 53.61 3lys n ASN 74 Cb 0.00 -0.07 -0.15 0.00 -0.61 0.00 0.00 39.78 38.95 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 3.71 -0.02 -1.94 5.41 0.00 -1.29 -3.47 119.26 121.66 3lys h ALA 75 Ca 0.00 -0.89 -0.45 0.00 0.00 0.00 0.00 54.91 53.57 3lys h ALA 75 Cb 0.07 0.26 0.03 0.00 0.00 0.00 0.00 17.79 18.14 3lys h ALA 75 CO 0.00 0.66 -0.12 -1.50 0.00 0.00 0.00 179.25 178.29 3lys s ILE 76 N -2.51 3.59 0.75 0.00 1.10 -0.23 -5.06 121.20 118.84 3lys s ILE 76 Ca -0.14 -0.63 -0.16 0.00 -0.51 0.00 0.00 60.65 59.21 3lys s ILE 76 Cb 0.03 -3.31 -0.02 0.00 0.15 0.00 0.00 42.46 39.31 3lys s ILE 76 CO 0.85 -0.20 0.57 -0.67 -2.11 0.00 0.00 174.94 173.38 3lys n ASP 77 N -2.09 -1.12 -0.74 4.50 4.64 -1.26 -4.79 116.55 115.69 3lys n ASP 77 Ca 0.03 0.56 0.00 0.00 -1.38 0.00 0.00 54.79 54.01 3lys n ASP 77 Cb 0.58 -1.24 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 -1.00 0.52 0.00 -0.67 4.07 -1.26 -1.43 120.64 120.87 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 0.48 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 0.07 0.00 -2.04 0.00 0.00 64.05 62.08 3lys n THR 80 Cb 0.19 0.00 0.57 0.00 -1.82 0.00 0.00 70.33 69.27 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 -0.96 -1.42 3.20 -1.55 -1.59 116.97 114.66 3lys h TYR 81 Ca 0.00 0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.04 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 0.15 0.60 0.87 -1.64 0.00 0.00 178.16 178.14 3lys h LYS 82 N 0.00 0.69 -0.55 1.82 1.79 -1.80 -0.94 116.57 117.58 3lys h LYS 82 Ca -0.00 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.44 3lys h LYS 82 Cb 0.28 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 3lys h LYS 82 CO 0.02 0.45 0.35 0.78 -1.08 0.00 0.00 179.45 179.97 3lys h GLY 83 N 0.71 0.77 1.54 3.86 0.00 -1.62 -0.83 103.07 107.50 3lys h GLY 83 Ca 0.51 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 47.48 3lys h GLY 83 CO -0.27 0.25 -0.17 -0.97 0.00 0.00 0.00 176.54 175.38 3lys h TYR 84 N 0.71 0.60 -0.45 5.60 -1.99 -1.29 0.15 116.97 120.30 3lys h TYR 84 Ca 0.21 -0.11 -0.09 0.00 2.00 0.00 0.00 58.73 60.74 3lys h TYR 84 Cb -0.04 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 38.52 3lys h TYR 84 CO -0.05 0.69 -0.09 0.93 -0.00 0.00 0.00 178.16 179.65 3lys h GLU 85 N 0.50 0.80 0.13 4.88 5.08 -0.77 0.15 114.58 125.35 3lys h GLU 85 Ca 0.08 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3lys h GLU 85 Cb 0.59 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3lys h GLU 85 CO 0.04 0.87 -0.06 0.37 -1.00 0.00 0.00 179.01 179.22 3lys h GLN 86 N 0.73 -0.17 -0.84 2.33 5.75 -0.60 -0.89 115.11 121.41 3lys h GLN 86 Ca 0.13 0.01 0.12 0.00 -0.15 0.00 0.00 58.65 58.75 3lys h GLN 86 Cb 0.57 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 29.10 3lys h GLN 86 CO 0.04 0.15 0.55 1.15 -2.65 0.00 0.00 178.83 178.06 3lys h THR 87 N -0.51 0.90 0.29 2.39 2.02 -0.55 0.29 112.91 117.74 3lys h THR 87 Ca -0.02 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 3lys h THR 87 Cb 0.40 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 3lys h THR 87 CO 0.03 0.13 -0.14 0.25 0.37 0.00 0.00 175.52 176.16 3lys h LEU 88 N 0.72 -0.33 -0.09 2.58 5.85 -0.42 0.20 115.31 123.82 3lys h LEU 88 Ca 0.40 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.11 3lys h LEU 88 Cb 0.57 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 3lys h LEU 88 CO -0.17 -0.16 -0.36 0.50 -0.34 0.00 0.00 178.44 177.91 3lys h LYS 89 N -0.49 -0.45 -0.52 1.25 3.64 0.33 -0.99 116.57 119.35 3lys h LYS 89 Ca -0.04 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 3lys h LYS 89 Cb 0.36 0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 32.18 3lys h LYS 89 CO 0.07 -0.30 -0.20 1.88 -2.27 0.00 0.00 179.45 178.63 3lys h TYR 90 N -0.46 -0.47 -0.69 1.91 0.99 -0.38 0.16 116.97 118.02 3lys h TYR 90 Ca 0.08 0.05 0.12 0.00 2.00 0.00 0.00 58.73 60.98 3lys h TYR 90 Cb 0.59 0.29 -0.09 0.00 1.00 0.00 0.00 36.73 38.52 3lys h TYR 90 CO -0.42 -0.29 0.25 1.25 -0.00 0.00 0.00 178.16 178.96 3lys h LEU 91 N -0.07 0.23 -1.64 3.88 5.85 0.23 0.25 115.31 124.04 3lys h LEU 91 Ca 0.25 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 3lys h LEU 91 Cb 0.45 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3lys h LEU 91 CO -0.58 0.11 0.14 0.11 -0.34 0.00 0.00 178.44 177.88 3lys h LYS 92 N 0.41 0.37 0.00 1.25 1.57 0.25 -3.32 116.57 117.11 3lys h LYS 92 Ca 0.36 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3lys h LYS 92 Cb 0.52 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3lys h LYS 92 CO -0.37 0.29 0.00 2.41 -0.57 0.00 0.00 179.45 181.21 3lys n THR 93 N -4.45 0.00 0.00 -0.16 -1.04 -0.05 -3.60 114.28 104.98 3lys n THR 93 Ca 0.01 0.35 0.00 0.00 -2.04 0.00 0.00 64.05 62.37 3lys n THR 93 Cb 0.11 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 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 -0.88 0.00 0.00 -1.42 4.01 -0.46 -5.02 117.16 113.39 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 0.71 0.00 0.00 -0.72 -0.04 -1.24 -5.01 135.00 128.70 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 1.61 -4.67 3.54 3.02 -1.26 -4.71 115.26 112.79 3lys n ASN 97 Ca 0.00 -1.16 -0.42 0.00 -0.03 0.00 0.00 54.58 52.97 3lys n ASN 97 Cb 0.00 -0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 38.85 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 0.26 3.65 -0.01 2.41 1.01 -1.26 -4.93 120.40 121.54 3lys s VAL 98 Ca 0.00 0.89 -0.22 0.00 0.00 0.00 0.00 61.98 62.65 3lys s VAL 98 Cb 0.00 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 3lys s VAL 98 CO 0.00 -0.05 0.63 -0.76 0.00 0.00 0.00 175.10 174.92 3lys s LEU 99 N 3.44 4.40 0.41 3.92 1.02 -1.26 -0.50 118.68 130.11 3lys s LEU 99 Ca 0.69 1.20 0.21 0.00 0.02 0.00 0.00 54.13 56.24 3lys s LEU 99 Cb -0.32 -2.99 1.16 0.00 0.02 0.00 0.00 46.19 44.06 3lys s LEU 99 CO 0.27 0.05 1.76 -0.29 0.02 0.00 0.00 176.35 178.16 3lys h ILE 100 N 4.24 0.48 0.00 -0.59 6.09 -1.47 0.32 117.51 126.57 3lys h ILE 100 Ca -0.44 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 62.93 3lys h ILE 100 Cb 1.20 0.11 0.00 0.00 0.47 0.00 0.00 36.82 38.60 3lys h ILE 100 CO 0.71 0.06 0.00 -1.54 -3.07 0.00 0.00 178.15 174.31 3lys n SER 101 N -4.60 0.00 -0.03 2.19 3.41 -1.26 -3.21 113.62 110.11 3lys n SER 101 Ca 0.26 -0.27 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 3lys n SER 101 Cb 0.95 -0.24 -0.14 0.00 -0.26 0.00 0.00 64.21 64.52 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 0.74 -1.74 4.33 1.02 0.11 -4.98 120.64 118.88 3lys n GLU 102 Ca 0.15 -0.12 -0.42 0.00 -0.02 0.00 0.00 57.16 56.75 3lys n GLU 102 Cb 0.21 -1.44 -0.02 0.00 -0.02 0.00 0.00 31.44 30.17 3lys n GLU 102 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3lys s ILE 103 N -3.04 2.01 0.25 -3.67 1.01 -1.05 -4.99 121.20 111.72 3lys s ILE 103 Ca -0.07 0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.65 3lys s ILE 103 Cb 0.10 -3.01 -0.05 0.00 0.01 0.00 0.00 42.46 39.51 3lys s ILE 103 CO 0.76 0.00 -0.08 0.42 0.00 0.00 0.00 174.94 176.03 3lys s THR 104 N 0.42 1.66 0.49 2.92 -4.23 -1.26 -4.92 115.64 110.71 3lys s THR 104 Ca 0.68 -2.15 0.25 0.00 -1.18 0.00 0.00 61.69 59.28 3lys s THR 104 Cb -0.49 -2.32 0.43 0.00 1.34 0.00 0.00 72.50 71.46 3lys s THR 104 CO 0.43 -0.39 1.89 0.00 -0.54 0.00 0.00 174.62 176.01 3lys h ALA 105 N 2.37 2.52 0.00 3.99 0.00 -1.95 -0.28 119.26 125.92 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 0.65 -0.77 -0.00 0.77 0.00 0.00 0.00 179.25 179.90 3lys h SER 106 N 0.17 -0.00 -0.16 0.00 0.02 -1.95 -2.42 113.55 109.20 3lys h SER 106 Ca 0.41 -0.87 0.03 0.00 -0.84 0.00 0.00 61.79 60.52 3lys h SER 106 Cb 1.36 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.84 3lys h SER 106 CO -0.08 0.88 -0.53 0.28 -1.14 0.00 0.00 176.83 176.24 3lys h SER 107 N -0.88 -1.68 -0.36 3.07 0.02 -1.62 0.34 113.55 112.44 3lys h SER 107 Ca -0.00 0.20 0.07 0.00 -0.84 0.00 0.00 61.79 61.22 3lys h SER 107 Cb 0.87 0.66 -0.07 0.00 0.14 0.00 0.00 62.40 64.01 3lys h SER 107 CO 0.00 -0.46 -0.08 0.22 -1.14 0.00 0.00 176.83 175.37 3lys h TYR 108 N -0.54 -0.17 -0.97 3.45 5.03 -1.23 0.36 116.97 122.90 3lys h TYR 108 Ca 0.04 0.03 0.06 0.00 2.58 0.00 0.00 58.73 61.43 3lys h TYR 108 Cb 0.65 0.13 -0.06 0.00 1.55 0.00 0.00 36.73 38.99 3lys h TYR 108 CO -0.60 -0.14 0.63 0.37 -1.32 0.00 0.00 178.16 177.09 3lys h GLN 109 N 0.01 1.13 -0.33 1.82 5.75 -0.85 0.39 115.11 123.03 3lys h GLN 109 Ca 0.17 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.54 3lys h GLN 109 Cb 0.26 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 3lys h GLN 109 CO -0.36 0.75 -0.03 -0.09 -2.65 0.00 0.00 178.83 176.45 3lys h ARG 110 N 1.16 0.60 -0.80 1.69 2.43 0.12 0.19 114.38 119.77 3lys h ARG 110 Ca 0.41 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 3lys h ARG 110 Cb 0.11 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 3lys h ARG 110 CO -0.16 0.75 0.42 0.00 -1.51 0.00 0.00 179.97 179.47 3lys h ALA 111 N 0.83 1.02 -0.73 2.80 0.00 0.47 -1.07 119.26 122.59 3lys h ALA 111 Ca 0.09 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3lys h ALA 111 Cb 0.50 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3lys h ALA 111 CO 0.02 0.55 0.27 -0.07 0.00 0.00 0.00 179.25 180.02 3lys h LEU 112 N 1.11 1.03 0.37 0.00 4.07 0.13 -2.30 115.31 119.72 3lys h LEU 112 Ca 0.28 -0.17 -0.02 0.00 0.08 0.00 0.00 57.88 58.05 3lys h LEU 112 Cb 0.06 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.54 3lys h LEU 112 CO -0.04 0.93 -0.18 0.78 -1.08 0.00 0.00 178.44 178.85 3lys h ASN 113 N 1.08 -0.42 -0.98 -0.43 2.35 0.10 -1.75 115.58 115.53 3lys h ASN 113 Ca 0.24 -0.11 0.27 0.00 -0.55 0.00 0.00 56.30 56.15 3lys h ASN 113 Cb 0.25 0.11 -0.14 0.00 0.05 0.00 0.00 38.32 38.59 3lys h ASN 113 CO -0.02 -0.11 0.54 0.50 -1.65 0.00 0.00 177.43 176.69 3lys h LYS 114 N -0.74 0.41 -0.45 0.81 1.63 -1.14 0.30 116.57 117.40 3lys h LYS 114 Ca -0.05 -0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.61 3lys h LYS 114 Cb 0.51 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.03 3lys h LYS 114 CO 0.08 0.27 -0.18 0.35 -3.45 0.00 0.00 179.45 176.52 3lys h PHE 115 N 0.43 1.01 0.00 1.91 3.04 -1.20 -3.06 116.94 119.06 3lys h PHE 115 Ca 0.67 -0.22 -0.02 0.00 3.98 0.00 0.00 57.97 62.37 3lys h PHE 115 Cb 1.39 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 39.65 3lys h PHE 115 CO -0.04 0.99 -0.10 0.00 -2.02 0.00 0.00 178.31 177.14 3lys h ALA 116 N 1.00 1.17 -0.07 2.41 0.00 0.51 -2.74 119.26 121.55 3lys h ALA 116 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3lys h ALA 116 Cb 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3lys h ALA 116 CO 0.06 0.13 0.00 -0.85 0.00 0.00 0.00 179.25 178.58 3lys n GLU 117 N -3.46 1.35 -0.02 0.00 0.28 -1.03 -3.28 120.64 114.48 3lys n GLU 117 Ca -0.01 -0.32 0.00 0.00 -0.16 0.00 0.00 57.16 56.66 3lys n GLU 117 Cb 0.26 -1.43 0.00 0.00 1.43 0.00 0.00 31.44 31.69 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 -0.03 0.00 -3.94 3.84 -2.24 -1.05 -5.12 114.28 105.74 3lys n THR 118 Ca 0.03 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.72 3lys n THR 118 Cb 0.27 0.27 -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 0.21 0.79 4.78 3.76 -1.10 -5.13 115.29 118.61 3lys s HIS 119 Ca 0.00 -0.50 -0.11 0.00 -0.15 0.00 0.00 55.06 54.29 3lys s HIS 119 Cb 0.00 -0.16 0.06 0.00 1.11 0.00 0.00 32.58 33.60 3lys s HIS 119 CO 0.00 -0.33 1.09 0.00 -0.85 0.00 0.00 174.74 174.64 3lys s ALA 120 N -2.40 2.22 0.08 -1.40 0.00 -1.26 -4.36 121.76 114.65 3lys s ALA 120 Ca -0.07 -0.03 -0.33 0.00 0.00 0.00 0.00 51.96 51.52 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 -1.73 1.60 -0.22 0.00 0.00 0.00 175.76 175.38 3lys h LYS 121 N -1.09 -0.88 -0.89 0.00 3.64 -1.92 0.71 116.57 116.14 3lys h LYS 121 Ca -0.46 0.06 0.22 0.00 -1.27 0.00 0.00 60.65 59.19 3lys h LYS 121 Cb 1.25 0.20 -0.12 0.00 -0.41 0.00 0.00 32.23 33.15 3lys h LYS 121 CO 0.57 -0.59 0.39 0.00 -2.27 0.00 0.00 179.45 177.55 3lys h ALA 122 N -0.60 1.42 -0.04 5.00 0.00 -1.94 0.89 119.26 124.00 3lys h ALA 122 Ca -0.06 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3lys h ALA 122 Cb 0.77 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3lys h ALA 122 CO 0.02 -0.33 -0.01 1.03 0.00 0.00 0.00 179.25 179.96 3lys h SER 123 N 0.41 0.07 -0.69 0.00 0.87 -1.79 -2.31 113.55 110.11 3lys h SER 123 Ca 0.55 -0.38 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3lys h SER 123 Cb 1.04 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.94 3lys h SER 123 CO -0.52 0.43 0.42 0.00 -0.53 0.00 0.00 176.83 176.63 3lys h THR 124 N -0.29 1.20 -0.12 2.23 1.03 -0.05 -2.48 112.91 114.42 3lys h THR 124 Ca 0.01 -0.44 0.01 0.00 -0.01 0.00 0.00 66.41 65.98 3lys h THR 124 Cb 0.40 0.22 -0.01 0.00 -1.07 0.00 0.00 68.15 67.69 3lys h THR 124 CO 0.00 0.21 0.05 0.50 -0.01 0.00 0.00 175.52 176.27 3lys h LYS 125 N 0.96 0.12 -0.89 0.00 3.64 -0.75 -2.21 116.57 117.44 3lys h LYS 125 Ca 0.25 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.72 3lys h LYS 125 Cb -0.03 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 31.69 3lys h LYS 125 CO -0.05 0.08 0.53 0.78 -2.27 0.00 0.00 179.45 178.52 3lys h GLY 126 N 0.12 1.40 0.80 5.01 0.00 -0.99 -0.37 103.07 109.04 3lys h GLY 126 Ca 0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 3lys h GLY 126 CO -0.04 0.16 -0.46 -2.75 0.00 0.00 0.00 176.54 173.45 3lys h PHE 127 N 0.88 -1.24 0.02 5.60 3.57 -1.04 -2.23 116.94 122.50 3lys h PHE 127 Ca 0.43 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.92 3lys h PHE 127 Cb 0.38 0.44 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 3lys h PHE 127 CO -0.04 -0.69 -0.23 1.25 -2.23 0.00 0.00 178.31 176.36 3lys h HIS 128 N -1.13 -0.69 -0.89 0.41 2.76 -0.96 -1.01 115.15 113.64 3lys h HIS 128 Ca -0.10 0.02 0.14 0.00 -2.20 0.00 0.00 60.37 58.24 3lys h HIS 128 Cb 0.91 0.30 -0.15 0.00 1.55 0.00 0.00 27.41 30.02 3lys h HIS 128 CO -0.11 -0.26 -0.37 0.00 -1.30 0.00 0.00 177.93 175.90 3lys h THR 129 N -0.31 0.05 -0.55 6.26 1.03 -1.12 0.33 112.91 118.60 3lys h THR 129 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 66.41 66.42 3lys h THR 129 Cb 0.32 0.05 -0.03 0.00 -1.07 0.00 0.00 68.15 67.42 3lys h THR 129 CO -0.15 0.00 0.34 0.03 -0.01 0.00 0.00 175.52 175.73 3lys h ARG 130 N -0.04 0.66 -0.66 0.00 3.08 -1.09 -1.03 114.38 115.30 3lys h ARG 130 Ca 0.33 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.30 3lys h ARG 130 Cb 0.59 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 3lys h ARG 130 CO -0.91 0.44 0.25 0.28 -1.07 0.00 0.00 179.97 178.96 3lys h VAL 131 N 0.68 1.24 -0.30 2.04 2.07 0.35 -2.79 116.25 119.53 3lys h VAL 131 Ca 0.22 -0.77 0.06 0.00 0.82 0.00 0.00 66.70 67.03 3lys h VAL 131 Cb -0.00 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.22 3lys h VAL 131 CO -0.08 0.30 -0.06 -0.09 0.02 0.00 0.00 177.57 177.66 3lys h ARG 132 N 0.93 0.02 -0.97 1.57 2.43 0.25 -1.71 114.38 116.90 3lys h ARG 132 Ca 0.22 -0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.50 3lys h ARG 132 Cb 0.22 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.68 3lys h ARG 132 CO -0.02 0.01 0.60 0.00 -1.51 0.00 0.00 179.97 179.05 3lys h ALA 133 N 1.29 1.44 0.00 2.80 0.00 -0.95 -0.11 119.26 123.74 3lys h ALA 133 Ca 0.15 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3lys h ALA 133 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3lys h ALA 133 CO -0.30 0.19 -0.36 0.66 0.00 0.00 0.00 179.25 179.45 3lys h SER 134 N 0.94 0.00 0.68 0.00 4.64 -1.12 -2.56 113.55 116.14 3lys h SER 134 Ca 0.48 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.63 3lys h SER 134 Cb 0.47 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 3lys h SER 134 CO -0.27 0.36 -0.77 0.40 -0.87 0.00 0.00 176.83 175.67 3lys h ILE 135 N 0.00 1.52 0.08 0.95 5.03 -0.51 -3.26 117.51 121.31 3lys h ILE 135 Ca -0.00 -2.55 0.01 0.00 -0.12 0.00 0.00 64.86 62.20 3lys h ILE 135 Cb 0.68 2.38 -0.05 0.00 -3.03 0.00 0.00 36.82 36.80 3lys h ILE 135 CO 0.05 0.73 -0.51 1.56 -0.68 0.00 0.00 178.15 179.30 3lys h GLN 136 N 0.04 -0.68 -0.63 2.37 1.08 -0.92 0.31 115.11 116.68 3lys h GLN 136 Ca -0.02 0.05 0.12 0.00 -1.45 0.00 0.00 58.65 57.35 3lys h GLN 136 Cb 1.36 0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 28.91 3lys h GLN 136 CO 0.11 -0.45 0.43 0.00 -0.95 0.00 0.00 178.83 177.96 3lys h LEU 138 N 0.35 0.36 0.09 0.00 5.85 -1.06 0.08 115.31 120.98 3lys h LEU 138 Ca 0.30 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 3lys h LEU 138 Cb 0.71 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3lys h LEU 138 CO -0.08 0.48 -0.04 0.40 -0.34 0.00 0.00 178.44 178.86 3lys h ILE 139 N 0.37 0.86 -0.66 4.05 1.08 0.16 0.30 117.51 123.68 3lys h ILE 139 Ca 0.08 -1.38 0.14 0.00 -0.39 0.00 0.00 64.86 63.30 3lys h ILE 139 Cb 0.36 1.54 -0.12 0.00 -3.07 0.00 0.00 36.82 35.53 3lys h ILE 139 CO 0.02 0.26 -0.08 -0.08 -0.69 0.00 0.00 178.15 177.58 3lys h GLU 140 N -0.93 0.05 0.00 2.37 4.22 -0.56 1.27 114.58 121.00 3lys h GLU 140 Ca -0.01 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.42 3lys h GLU 140 Cb 0.52 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3lys h GLU 140 CO 0.02 0.04 0.00 0.39 -2.18 0.00 0.00 179.01 177.28 3lys n GLU 141 N -5.37 0.31 -3.27 1.92 1.02 0.01 -4.87 120.64 110.38 3lys n GLU 141 Ca 0.09 0.09 -0.16 0.00 -0.02 0.00 0.00 57.16 57.17 3lys n GLU 141 Cb 0.37 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.36 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 -0.07 -1.12 0.00 0.62 0.00 0.43 -4.92 105.19 100.13 3lys n GLY 142 Ca 0.09 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 -3.31 0.31 -4.58 1.61 1.74 0.06 -5.00 116.66 107.49 3lys n ARG 143 Ca -0.08 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.76 3lys n ARG 143 Cb 0.62 -1.00 -0.16 0.00 -1.02 0.00 0.00 32.46 30.90 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 -3.06 1.79 -0.05 0.55 2.96 -0.98 -4.62 118.68 115.27 3lys s LEU 144 Ca 0.00 -0.27 -0.24 0.00 -0.22 0.00 0.00 54.13 53.40 3lys s LEU 144 Cb 0.00 -0.75 -0.19 0.00 0.50 0.00 0.00 46.19 45.75 3lys s LEU 144 CO 0.00 0.09 1.02 1.56 -1.32 0.00 0.00 176.35 177.70 3lys h GLN 145 N 6.48 -0.12 -5.11 1.98 1.08 -1.94 -3.41 115.11 114.07 3lys h GLN 145 Ca -0.33 0.01 -0.52 0.00 -1.45 0.00 0.00 58.65 56.36 3lys h GLN 145 Cb 1.17 0.03 -0.31 0.00 -0.05 0.00 0.00 27.48 28.32 3lys h GLN 145 CO 0.48 0.39 -0.82 -1.59 -0.95 0.00 0.00 178.83 176.34 3lys s LYS 146 N -3.65 1.54 -0.63 1.46 -2.85 -1.26 -5.08 119.74 109.27 3lys s LYS 146 Ca -0.15 -0.52 -0.25 0.00 -1.00 0.00 0.00 55.97 54.05 3lys s LYS 146 Cb 0.01 -1.36 0.05 0.00 -2.06 0.00 0.00 37.83 34.46 3lys s LYS 146 CO 0.58 0.21 1.06 0.34 0.10 0.00 0.00 175.35 177.64 3lys s ASP 147 N 0.07 6.27 0.38 0.03 2.15 -1.26 -4.91 116.67 119.40 3lys s ASP 147 Ca -0.03 -0.48 0.12 0.00 0.43 0.00 0.00 52.55 52.59 3lys s ASP 147 Cb -0.11 -2.48 0.75 0.00 -0.30 0.00 0.00 42.92 40.79 3lys s ASP 147 CO 0.02 -1.46 1.86 2.19 -0.17 0.00 0.00 175.17 177.60 3lys h PHE 148 N 9.58 0.05 0.00 -5.34 -5.15 -1.92 -2.28 116.94 111.88 3lys h PHE 148 Ca -0.27 -0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.49 3lys h PHE 148 Cb 1.06 -0.01 0.00 0.00 0.22 0.00 0.00 35.95 37.22 3lys h PHE 148 CO 1.00 0.36 0.00 0.25 -2.00 0.00 0.00 178.31 177.91 3lys n THR 149 N -4.15 0.00 0.00 0.88 -2.24 -1.26 -4.12 114.28 103.39 3lys n THR 149 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3lys n THR 149 Cb 0.37 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 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 -0.91 0.00 0.09 4.28 5.66 -0.86 -4.08 114.28 118.46 3lys n THR 150 Ca 0.08 0.00 0.20 0.00 -3.05 0.00 0.00 64.05 61.28 3lys n THR 150 Cb 0.04 -0.17 0.75 0.00 -1.55 0.00 0.00 70.33 69.40 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 0.00 -1.70 1.09 3.08 -1.84 -2.26 114.38 112.75 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 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3lys h ARG 151 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 3lys n ALA 152 N -2.40 1.92 1.21 0.04 0.00 -1.26 -3.99 120.51 116.03 3lys n ALA 152 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.56 3lys n ALA 152 Cb 0.56 -1.09 0.34 0.00 0.00 0.00 0.00 19.45 19.26 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 0.96 0.00 -1.67 0.00 3.14 -0.85 -4.74 118.33 115.16 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 0.18 -0.49 -0.03 0.00 -1.06 0.00 0.00 33.84 32.43 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 3.07 -0.45 1.55 1.01 -1.26 -4.91 120.40 117.41 3lys s VAL 154 Ca 0.17 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3lys s VAL 154 Cb 0.08 -3.09 0.12 0.00 0.00 0.00 0.00 36.38 33.49 3lys s VAL 154 CO 0.13 -0.05 0.22 -1.59 0.00 0.00 0.00 175.10 173.81 3lys s LYS 155 N 5.96 1.96 0.98 2.72 0.00 -1.26 -4.86 119.74 125.25 3lys s LYS 155 Ca 0.96 -2.12 -0.15 0.00 0.00 0.00 0.00 55.97 54.66 3lys s LYS 155 Cb -0.33 -3.46 0.01 0.00 0.00 0.00 0.00 37.83 34.04 3lys s LYS 155 CO 0.36 -1.06 0.09 0.41 0.00 0.00 0.00 175.35 175.14 3lys n GLY 156 N 4.01 -2.56 3.51 0.59 0.00 -1.26 -5.00 105.19 104.47 3lys n GLY 156 Ca 0.03 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 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 0.71 2.74 -0.01 0.99 -0.00 -1.26 -4.62 118.68 117.23 3lys s LEU 157 Ca 0.53 -0.72 0.11 0.00 -0.00 0.00 0.00 54.13 54.05 3lys s LEU 157 Cb -0.18 -1.43 0.33 0.00 -0.00 0.00 0.00 46.19 44.90 3lys s LEU 157 CO 0.70 0.10 1.26 -1.84 -0.00 0.00 0.00 176.35 176.57 3lys n GLU 158 N 0.06 1.91 0.00 1.48 0.00 -1.26 -4.95 120.64 117.89 3lys n GLU 158 Ca -0.11 -1.32 0.00 0.00 0.00 0.00 0.00 57.16 55.73 3lys n GLU 158 Cb 0.56 -1.32 0.00 0.00 0.00 0.00 0.00 31.44 30.68 3lys n GLU 158 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71