#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n1j s TYR 56 N 0.00 1.34 0.55 1.39 1.51 -1.26 -4.86 117.35 116.02 1n1j s TYR 56 Ca 0.00 -0.95 -0.18 0.00 -1.01 0.00 0.00 57.07 54.94 1n1j s TYR 56 Cb 0.00 -0.76 -0.05 0.00 -0.11 0.00 0.00 41.96 41.03 1n1j s TYR 56 CO 0.00 -0.11 1.06 -0.51 -1.11 0.00 0.00 175.55 174.88 1n1j s LEU 57 N -3.22 3.64 0.10 -1.29 1.43 -1.26 -4.92 118.68 113.16 1n1j s LEU 57 Ca 0.25 1.88 -0.35 0.00 -1.03 0.00 0.00 54.13 54.87 1n1j s LEU 57 Cb 0.05 -4.55 -0.15 0.00 0.03 0.00 0.00 46.19 41.58 1n1j s LEU 57 CO 0.05 -1.03 1.50 -2.65 0.23 0.00 0.00 176.35 174.45 1n1j n PRO 58 N -1.60 1.72 -0.19 1.29 -0.02 -1.26 -4.85 135.00 130.09 1n1j n PRO 58 Ca 0.09 0.62 0.10 0.00 -2.02 0.00 0.00 63.50 62.29 1n1j n PRO 58 Cb 0.53 -2.34 0.40 0.00 -0.02 0.00 0.00 33.50 32.06 1n1j n PRO 58 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1n1j h ILE 59 N 3.65 0.93 -0.86 4.25 2.10 -1.97 -1.60 117.51 124.01 1n1j h ILE 59 Ca -0.46 -0.22 -0.01 0.00 1.08 0.00 0.00 64.86 65.24 1n1j h ILE 59 Cb 1.29 0.22 -0.04 0.00 -1.09 0.00 0.00 36.82 37.20 1n1j h ILE 59 CO 0.85 0.12 0.48 0.00 -1.08 0.00 0.00 178.15 178.52 1n1j h ALA 60 N 1.62 1.10 -0.32 0.18 0.00 -1.99 0.24 119.26 120.09 1n1j h ALA 60 Ca 0.35 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1n1j h ALA 60 Cb 0.48 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1n1j h ALA 60 CO -0.13 0.60 -0.02 -0.91 0.00 0.00 0.00 179.25 178.79 1n1j h ASN 61 N 1.20 0.58 -0.16 0.00 4.21 -1.68 -1.28 115.58 118.45 1n1j h ASN 61 Ca 0.30 -0.33 -0.01 0.00 1.21 0.00 0.00 56.30 57.48 1n1j h ASN 61 Cb 0.02 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.05 1n1j h ASN 61 CO -0.05 0.77 0.08 0.58 -1.29 0.00 0.00 177.43 177.51 1n1j h VAL 62 N 0.37 1.13 -0.74 2.81 2.07 -1.07 -2.71 116.25 118.10 1n1j h VAL 62 Ca 0.09 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1n1j h VAL 62 Cb 0.48 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1n1j h VAL 62 CO 0.02 0.12 0.48 0.00 0.02 0.00 0.00 177.57 178.21 1n1j h ALA 63 N 0.94 1.45 -0.43 1.67 0.00 -0.46 -1.05 119.26 121.39 1n1j h ALA 63 Ca 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1n1j h ALA 63 Cb 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1n1j h ALA 63 CO -0.01 0.50 0.20 -0.09 0.00 0.00 0.00 179.25 179.85 1n1j h ARG 64 N 1.01 0.62 -0.59 0.00 2.43 -1.03 0.13 114.38 116.95 1n1j h ARG 64 Ca 0.27 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 59.26 1n1j h ARG 64 Cb -0.09 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1n1j h ARG 64 CO -0.06 0.54 0.02 0.82 -1.51 0.00 0.00 179.97 179.79 1n1j h ILE 65 N 0.55 1.26 -0.42 1.20 2.04 -1.16 -2.37 117.51 118.61 1n1j h ILE 65 Ca 0.15 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 64.90 1n1j h ILE 65 Cb 0.13 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1n1j h ILE 65 CO -0.02 0.40 0.26 0.24 0.00 0.00 0.00 178.15 179.03 1n1j h MET 66 N 0.92 0.57 -0.44 2.37 2.86 -0.82 -2.62 114.93 117.77 1n1j h MET 66 Ca 0.17 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1n1j h MET 66 Cb 0.52 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 1n1j h MET 66 CO 0.03 0.42 0.27 -0.22 1.06 0.00 0.00 176.91 178.46 1n1j h LYS 67 N 0.56 0.59 0.00 1.72 3.64 -0.53 -1.33 116.57 121.22 1n1j h LYS 67 Ca 0.15 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1n1j h LYS 67 Cb -0.01 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1n1j h LYS 67 CO -0.03 0.42 0.00 0.09 -2.27 0.00 0.00 179.45 177.66 1n1j n ASN 68 N -4.44 0.60 -0.82 4.20 3.02 -0.91 -2.80 115.26 114.10 1n1j n ASN 68 Ca 0.03 0.64 0.13 0.00 -0.03 0.00 0.00 54.58 55.35 1n1j n ASN 68 Cb 0.08 -0.77 0.22 0.00 -0.61 0.00 0.00 39.78 38.70 1n1j n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n1j n ALA 69 N -1.74 2.49 -2.46 5.41 0.00 -0.50 -4.96 120.51 118.74 1n1j n ALA 69 Ca 0.02 -0.62 -0.22 0.00 0.00 0.00 0.00 53.44 52.62 1n1j n ALA 69 Cb 0.23 -0.91 -0.10 0.00 0.00 0.00 0.00 19.45 18.67 1n1j n ALA 69 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1n1j s ILE 70 N -2.00 1.12 0.67 0.00 -4.36 -1.12 -5.12 121.20 110.40 1n1j s ILE 70 Ca 0.31 -2.00 -0.17 0.00 -0.26 0.00 0.00 60.65 58.53 1n1j s ILE 70 Cb 0.20 -2.74 -0.02 0.00 1.25 0.00 0.00 42.46 41.16 1n1j s ILE 70 CO 0.31 0.00 0.96 -2.65 0.24 0.00 0.00 174.94 173.80 1n1j n PRO 71 N -0.72 0.67 -0.30 0.37 -0.02 -1.26 -4.85 135.00 128.89 1n1j n PRO 71 Ca -0.03 0.28 0.14 0.00 -2.02 0.00 0.00 63.50 61.87 1n1j n PRO 71 Cb 0.66 -2.19 0.39 0.00 -0.02 0.00 0.00 33.50 32.34 1n1j n PRO 71 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1n1j h GLN 72 N 0.05 0.63 -0.15 -0.52 5.75 -1.98 0.45 115.11 119.34 1n1j h GLN 72 Ca -0.48 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 57.98 1n1j h GLN 72 Cb 1.35 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.76 1n1j h GLN 72 CO 0.48 0.42 0.00 0.25 -2.65 0.00 0.00 178.83 177.33 1n1j n THR 73 N -4.62 0.18 -1.77 2.39 -2.24 -1.26 -4.93 114.28 102.03 1n1j n THR 73 Ca 0.21 -0.39 -0.33 0.00 -2.27 0.00 0.00 64.05 61.27 1n1j n THR 73 Cb 0.58 0.59 0.04 0.00 -2.10 0.00 0.00 70.33 69.44 1n1j n THR 73 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1n1j s GLY 74 N -1.70 2.05 0.24 3.38 0.00 0.15 -5.06 107.32 106.38 1n1j s GLY 74 Ca 0.34 0.43 0.09 0.00 0.00 0.00 0.00 44.72 45.59 1n1j s GLY 74 CO 0.29 0.77 -0.15 0.54 0.00 0.00 0.00 173.10 174.55 1n1j s LYS 75 N -4.26 1.46 -0.08 2.90 1.02 -1.26 -4.94 119.74 114.59 1n1j s LYS 75 Ca 0.65 -1.67 0.00 0.00 0.02 0.00 0.00 55.97 54.97 1n1j s LYS 75 Cb -0.18 -1.34 0.02 0.00 -0.52 0.00 0.00 37.83 35.81 1n1j s LYS 75 CO 0.43 0.22 -0.06 0.42 -0.92 0.00 0.00 175.35 175.44 1n1j s ILE 76 N -2.82 0.80 0.45 2.17 1.01 -1.26 -5.13 121.20 116.42 1n1j s ILE 76 Ca 0.25 -0.21 -0.24 0.00 0.00 0.00 0.00 60.65 60.46 1n1j s ILE 76 Cb -0.02 -0.82 -0.07 0.00 0.01 0.00 0.00 42.46 41.56 1n1j s ILE 76 CO 0.10 0.31 1.24 0.00 0.00 0.00 0.00 174.94 176.58 1n1j s ALA 77 N 1.32 3.05 0.24 9.38 0.00 -1.26 -4.88 121.76 129.60 1n1j s ALA 77 Ca -0.04 1.09 -0.04 0.00 0.00 0.00 0.00 51.96 52.97 1n1j s ALA 77 Cb -0.14 -3.44 0.41 0.00 0.00 0.00 0.00 23.12 19.95 1n1j s ALA 77 CO -0.03 -0.81 1.79 -0.22 0.00 0.00 0.00 175.76 176.49 1n1j h LYS 78 N 2.20 0.66 -0.32 0.00 3.64 -2.00 0.04 116.57 120.80 1n1j h LYS 78 Ca -0.50 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 58.86 1n1j h LYS 78 Cb 1.25 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 1n1j h LYS 78 CO 0.61 0.44 0.21 0.22 -2.27 0.00 0.00 179.45 178.65 1n1j h ASP 79 N 0.68 0.33 0.19 4.20 -0.00 -1.99 -1.25 116.42 118.58 1n1j h ASP 79 Ca 0.40 -0.01 -0.21 0.00 -0.00 0.00 0.00 57.03 57.21 1n1j h ASP 79 Cb 0.44 -0.08 0.00 0.00 -0.00 0.00 0.00 39.33 39.69 1n1j h ASP 79 CO -0.28 0.23 -0.81 0.00 -0.00 0.00 0.00 179.24 178.38 1n1j h ALA 80 N 1.81 0.46 -0.49 -0.78 0.00 -1.38 -1.01 119.26 117.88 1n1j h ALA 80 Ca 0.12 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1n1j h ALA 80 Cb 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1n1j h ALA 80 CO -0.03 0.76 0.12 0.87 0.00 0.00 0.00 179.25 180.97 1n1j h LYS 81 N 0.32 0.78 -0.31 0.00 1.57 -0.59 -0.87 116.57 117.47 1n1j h LYS 81 Ca -0.05 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.48 1n1j h LYS 81 Cb 1.41 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 1n1j h LYS 81 CO 0.14 0.76 -0.07 0.93 -0.57 0.00 0.00 179.45 180.64 1n1j h GLU 82 N 0.67 0.51 -0.29 3.15 5.08 -1.20 -0.56 114.58 121.94 1n1j h GLU 82 Ca 0.15 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1n1j h GLU 82 Cb 0.33 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1n1j h GLU 82 CO 0.00 0.59 0.09 0.00 -1.00 0.00 0.00 179.01 178.69 1n1j h VAL 84 N 0.31 1.23 -0.46 0.00 2.07 -0.73 -0.07 116.25 118.60 1n1j h VAL 84 Ca 0.09 -0.90 0.05 0.00 0.82 0.00 0.00 66.70 66.77 1n1j h VAL 84 Cb 0.25 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1n1j h VAL 84 CO -0.00 0.32 0.19 1.56 0.02 0.00 0.00 177.57 179.66 1n1j h GLN 85 N 0.75 0.37 -0.32 1.57 4.20 -0.71 0.75 115.11 121.72 1n1j h GLN 85 Ca 0.16 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1n1j h GLN 85 Cb 0.37 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1n1j h GLN 85 CO 0.01 0.24 0.21 0.93 -0.67 0.00 0.00 178.83 179.55 1n1j h GLU 86 N 0.38 0.42 -0.85 1.46 5.08 -0.54 -2.42 114.58 118.12 1n1j h GLU 86 Ca 0.21 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1n1j h GLU 86 Cb 0.18 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1n1j h GLU 86 CO -0.19 0.29 0.43 0.00 -1.00 0.00 0.00 179.01 178.54 1n1j h VAL 88 N 1.20 1.22 -0.38 0.00 2.07 -0.66 0.50 116.25 120.21 1n1j h VAL 88 Ca 0.30 -0.74 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 1n1j h VAL 88 Cb 0.08 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1n1j h VAL 88 CO -0.04 0.27 -0.08 0.28 0.02 0.00 0.00 177.57 178.02 1n1j h SER 89 N 0.66 0.62 -0.33 0.57 0.02 -1.25 -0.85 113.55 112.98 1n1j h SER 89 Ca 0.16 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1n1j h SER 89 Cb 0.26 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1n1j h SER 89 CO -0.01 0.75 -0.10 -0.08 -1.14 0.00 0.00 176.83 176.25 1n1j h GLU 90 N 0.59 0.76 0.03 3.45 4.57 -0.90 -1.07 114.58 122.02 1n1j h GLU 90 Ca 0.11 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1n1j h GLU 90 Cb 0.50 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1n1j h GLU 90 CO 0.03 0.84 -0.01 0.35 -1.18 0.00 0.00 179.01 179.03 1n1j h PHE 91 N 0.69 -0.04 -0.70 0.92 3.57 -0.34 -0.14 116.94 120.91 1n1j h PHE 91 Ca 0.12 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.63 1n1j h PHE 91 Cb 0.57 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.29 1n1j h PHE 91 CO 0.03 0.13 0.46 0.82 -2.23 0.00 0.00 178.31 177.51 1n1j h ILE 92 N -0.19 1.15 -0.65 1.41 2.04 -0.96 -1.95 117.51 118.36 1n1j h ILE 92 Ca -0.00 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 1n1j h ILE 92 Cb 0.18 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 1n1j h ILE 92 CO 0.01 0.17 0.07 0.28 0.00 0.00 0.00 178.15 178.68 1n1j h SER 93 N 0.92 1.05 0.19 1.72 0.02 -1.05 -0.09 113.55 116.32 1n1j h SER 93 Ca 0.27 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1n1j h SER 93 Cb -0.06 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.20 1n1j h SER 93 CO -0.07 1.06 -0.09 0.15 -1.14 0.00 0.00 176.83 176.73 1n1j h PHE 94 N 1.01 -0.24 -0.42 3.45 3.57 -0.69 -0.82 116.94 122.81 1n1j h PHE 94 Ca 0.19 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 1n1j h PHE 94 Cb 0.48 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1n1j h PHE 94 CO 0.03 -0.12 0.09 0.82 -2.23 0.00 0.00 178.31 176.90 1n1j h ILE 95 N -0.30 1.24 -0.80 1.41 1.08 -1.31 -3.10 117.51 115.73 1n1j h ILE 95 Ca -0.03 -0.83 -0.01 0.00 -0.39 0.00 0.00 64.86 63.60 1n1j h ILE 95 Cb 0.23 0.98 -0.04 0.00 -3.07 0.00 0.00 36.82 34.92 1n1j h ILE 95 CO 0.04 0.29 0.45 0.74 -0.69 0.00 0.00 178.15 178.98 1n1j h THR 96 N 0.54 1.23 -0.52 -0.27 2.02 -0.88 -0.54 112.91 114.49 1n1j h THR 96 Ca 0.13 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 66.76 1n1j h THR 96 Cb 0.34 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1n1j h THR 96 CO 0.00 0.26 0.33 0.28 0.37 0.00 0.00 175.52 176.76 1n1j h SER 97 N 1.12 0.56 -0.21 4.18 0.02 -1.07 0.78 113.55 118.92 1n1j h SER 97 Ca 0.28 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 61.08 1n1j h SER 97 Cb 0.01 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1n1j h SER 97 CO -0.05 0.40 -0.40 -0.08 -1.14 0.00 0.00 176.83 175.56 1n1j h GLU 98 N 0.67 0.76 -0.22 3.45 4.57 -1.43 -2.56 114.58 119.82 1n1j h GLU 98 Ca 0.20 -0.40 -0.06 0.00 -1.18 0.00 0.00 59.36 57.92 1n1j h GLU 98 Cb -0.04 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1n1j h GLU 98 CO -0.06 1.02 -0.14 0.00 -1.18 0.00 0.00 179.01 178.65 1n1j h ALA 99 N 0.93 1.36 -0.50 2.92 0.00 -0.64 -1.51 119.26 121.81 1n1j h ALA 99 Ca 0.05 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1n1j h ALA 99 Cb 0.95 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1n1j h ALA 99 CO 0.09 0.43 -0.17 1.03 0.00 0.00 0.00 179.25 180.63 1n1j h SER 100 N 0.34 1.02 -0.27 0.00 0.87 -0.65 -0.45 113.55 114.40 1n1j h SER 100 Ca 0.06 -0.38 -0.02 0.00 -1.23 0.00 0.00 61.79 60.23 1n1j h SER 100 Cb 0.45 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1n1j h SER 100 CO 0.03 1.16 0.09 -0.08 -0.53 0.00 0.00 176.83 177.50 1n1j h GLU 101 N 0.86 0.41 -0.30 2.24 4.57 -1.04 -1.61 114.58 119.72 1n1j h GLU 101 Ca 0.12 -0.08 0.02 0.00 -1.18 0.00 0.00 59.36 58.24 1n1j h GLU 101 Cb 0.74 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 1n1j h GLU 101 CO 0.06 0.47 0.15 -0.09 -1.18 0.00 0.00 179.01 178.41 1n1j h ARG 102 N 0.28 0.30 -0.32 1.92 9.65 -1.15 -0.24 114.38 124.82 1n1j h ARG 102 Ca 0.09 -0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.01 1n1j h ARG 102 Cb 0.22 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.68 1n1j h ARG 102 CO -0.00 0.20 -0.02 0.00 2.80 0.00 0.00 179.97 182.94 1n1j h HIS 104 N 0.06 0.90 0.00 0.00 -0.00 -0.92 -1.36 115.15 113.83 1n1j h HIS 104 Ca 0.16 -0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.45 1n1j h HIS 104 Cb 0.22 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.34 1n1j h HIS 104 CO -0.25 0.67 -0.18 1.96 -0.00 0.00 0.00 177.93 180.13 1n1j h GLN 105 N 0.87 0.00 -0.50 5.26 1.08 -0.48 -1.32 115.11 120.01 1n1j h GLN 105 Ca 0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 1n1j h GLN 105 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1n1j h GLN 105 CO -0.03 0.18 0.00 0.39 -0.95 0.00 0.00 178.83 178.42 1n1j n GLU 106 N -3.95 2.13 -2.86 1.46 -0.58 -0.43 -4.90 120.64 111.49 1n1j n GLU 106 Ca -0.02 -1.28 -0.21 0.00 -0.42 0.00 0.00 57.16 55.23 1n1j n GLU 106 Cb 0.27 -1.47 0.03 0.00 -0.57 0.00 0.00 31.44 29.70 1n1j n GLU 106 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1n1j n LYS 107 N 0.41 -4.08 -4.71 3.49 5.02 -0.50 -5.01 118.16 112.78 1n1j n LYS 107 Ca 0.12 0.87 -0.31 0.00 -2.02 0.00 0.00 58.31 56.97 1n1j n LYS 107 Cb 0.42 -5.58 -0.09 0.00 -0.02 0.00 0.00 35.03 29.76 1n1j n LYS 107 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1n1j s ARG 108 N -5.51 2.11 0.00 1.97 0.52 -0.56 -5.03 118.95 112.44 1n1j s ARG 108 Ca 0.23 -2.29 0.00 0.00 -0.52 0.00 0.00 55.73 53.15 1n1j s ARG 108 Cb -0.10 -1.57 0.00 0.00 0.52 0.00 0.00 34.95 33.80 1n1j s ARG 108 CO 0.29 -0.25 0.00 1.63 0.02 0.00 0.00 175.30 176.99 1n1j n LYS 109 N -1.15 2.47 -3.57 3.54 5.02 -1.26 -4.03 118.16 119.17 1n1j n LYS 109 Ca -0.14 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.75 1n1j n LYS 109 Cb 0.67 -0.79 -0.11 0.00 -0.02 0.00 0.00 35.03 34.78 1n1j n LYS 109 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1n1j s THR 110 N -1.26 5.05 -0.07 -0.18 2.01 -1.26 -5.02 115.64 114.91 1n1j s THR 110 Ca 0.00 -0.31 -0.30 0.00 0.31 0.00 0.00 61.69 61.39 1n1j s THR 110 Cb 0.00 -3.60 -0.06 0.00 0.01 0.00 0.00 72.50 68.85 1n1j s THR 110 CO 0.00 -0.00 1.80 -0.63 -0.69 0.00 0.00 174.62 175.10 1n1j s ILE 111 N 1.68 3.36 0.44 1.82 1.01 -1.26 -4.98 121.20 123.27 1n1j s ILE 111 Ca 0.05 0.43 0.06 0.00 0.00 0.00 0.00 60.65 61.19 1n1j s ILE 111 Cb -0.17 -3.31 0.06 0.00 0.01 0.00 0.00 42.46 39.05 1n1j s ILE 111 CO 0.09 -0.07 0.49 -0.46 0.00 0.00 0.00 174.94 174.99 1n1j n ASN 112 N 7.90 1.94 -0.35 3.58 0.23 -1.26 -4.98 115.26 122.32 1n1j n ASN 112 Ca 0.20 -2.31 -0.02 0.00 -0.53 0.00 0.00 54.58 51.92 1n1j n ASN 112 Cb 0.43 -0.20 0.12 0.00 -2.08 0.00 0.00 39.78 38.05 1n1j n ASN 112 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1n1j h GLY 113 N 0.26 1.36 1.35 4.83 0.00 -2.00 -1.87 103.07 107.01 1n1j h GLY 113 Ca -0.23 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.51 1n1j h GLY 113 CO 0.35 0.52 0.08 0.83 0.00 0.00 0.00 176.54 178.32 1n1j h GLU 114 N 1.31 0.80 -0.62 4.80 5.08 -1.98 -0.46 114.58 123.50 1n1j h GLU 114 Ca 0.35 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1n1j h GLU 114 Cb -0.12 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 1n1j h GLU 114 CO -0.07 0.76 0.22 -0.44 -1.00 0.00 0.00 179.01 178.48 1n1j h ASP 115 N 0.77 0.88 -0.24 1.42 3.32 -1.74 0.10 116.42 120.92 1n1j h ASP 115 Ca 0.16 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1n1j h ASP 115 Cb 0.35 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1n1j h ASP 115 CO 0.01 0.83 0.03 0.40 -1.72 0.00 0.00 179.24 178.79 1n1j h ILE 116 N 0.88 1.23 -0.33 0.35 1.08 -0.92 -1.51 117.51 118.29 1n1j h ILE 116 Ca 0.20 -0.79 -0.10 0.00 -0.39 0.00 0.00 64.86 63.79 1n1j h ILE 116 Cb 0.24 1.28 -0.01 0.00 -3.07 0.00 0.00 36.82 35.25 1n1j h ILE 116 CO -0.01 0.25 -0.20 -0.07 -0.69 0.00 0.00 178.15 177.42 1n1j h LEU 117 N 0.21 0.62 -0.41 1.44 3.38 -0.93 -0.30 115.31 119.32 1n1j h LEU 117 Ca 0.07 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1n1j h LEU 117 Cb 0.34 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1n1j h LEU 117 CO 0.01 0.82 0.17 0.15 0.09 0.00 0.00 178.44 179.68 1n1j h PHE 118 N 0.55 0.62 -0.54 1.13 3.57 -0.71 -1.45 116.94 120.11 1n1j h PHE 118 Ca 0.08 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1n1j h PHE 118 Cb 0.66 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 1n1j h PHE 118 CO 0.03 0.54 0.32 0.00 -2.23 0.00 0.00 178.31 176.96 1n1j h ALA 119 N 1.02 0.69 -0.76 2.41 0.00 -0.88 0.20 119.26 121.93 1n1j h ALA 119 Ca 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1n1j h ALA 119 Cb 0.18 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1n1j h ALA 119 CO -0.01 0.18 0.38 0.52 0.00 0.00 0.00 179.25 180.32 1n1j h MET 120 N 0.72 1.08 -0.46 0.00 2.86 -0.82 0.26 114.93 118.57 1n1j h MET 120 Ca 0.19 -0.15 -0.14 0.00 -2.06 0.00 0.00 59.70 57.54 1n1j h MET 120 Cb 0.00 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 1n1j h MET 120 CO -0.03 0.84 -0.24 1.03 1.06 0.00 0.00 176.91 179.56 1n1j h SER 121 N 1.06 1.01 0.12 1.22 0.87 -0.96 0.55 113.55 117.42 1n1j h SER 121 Ca 0.26 -0.40 -0.13 0.00 -1.23 0.00 0.00 61.79 60.29 1n1j h SER 121 Cb 0.10 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 1n1j h SER 121 CO -0.04 1.19 -0.46 0.74 -0.53 0.00 0.00 176.83 177.73 1n1j h THR 122 N 0.84 1.32 -0.22 2.23 2.02 -0.64 -3.23 112.91 115.22 1n1j h THR 122 Ca 0.10 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.62 1n1j h THR 122 Cb 0.82 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1n1j h THR 122 CO 0.07 0.51 0.00 0.18 0.37 0.00 0.00 175.52 176.65 1n1j n LEU 123 N -3.99 1.75 0.00 2.58 4.77 0.05 -4.91 117.00 117.25 1n1j n LEU 123 Ca -0.02 -0.78 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 1n1j n LEU 123 Cb 0.54 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1n1j n LEU 123 CO 0.44 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1n1j n GLY 124 N 1.12 0.93 1.73 -0.72 0.00 -1.16 -5.00 105.19 102.08 1n1j n GLY 124 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 1n1j n GLY 124 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1n1j n PHE 125 N -1.74 2.15 0.16 1.61 3.01 0.19 -4.78 117.46 118.06 1n1j n PHE 125 Ca 0.00 -2.14 0.13 0.00 1.01 0.00 0.00 57.45 56.45 1n1j n PHE 125 Cb 0.00 -0.59 0.68 0.00 -0.01 0.00 0.00 39.48 39.56 1n1j n PHE 125 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 1n1j h ASP 126 N 1.70 0.00 0.29 4.37 3.58 -1.74 -0.98 116.42 123.64 1n1j h ASP 126 Ca 0.35 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.80 1n1j h ASP 126 Cb 1.41 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.46 1n1j h ASP 126 CO 0.75 0.00 0.00 -1.54 -2.88 0.00 0.00 179.24 175.57 1n1j n SER 127 N -4.41 0.63 0.13 2.28 3.41 -1.26 -1.63 113.62 112.78 1n1j n SER 127 Ca 0.02 0.74 0.03 0.00 -0.26 0.00 0.00 58.87 59.40 1n1j n SER 127 Cb 0.30 -0.84 0.02 0.00 -0.26 0.00 0.00 64.21 63.43 1n1j n SER 127 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1n1j h TYR 128 N 0.00 0.00 0.25 7.33 -1.99 -1.56 -3.40 116.97 117.59 1n1j h TYR 128 Ca 0.00 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.74 1n1j h TYR 128 Cb 0.14 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.84 1n1j h TYR 128 CO 0.00 0.46 -0.40 0.28 -0.00 0.00 0.00 178.16 178.50 1n1j h VAL 129 N 0.00 0.18 -0.41 -2.88 2.07 -1.43 -1.10 116.25 112.68 1n1j h VAL 129 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1n1j h VAL 129 Cb 1.37 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1n1j h VAL 129 CO 0.06 0.00 0.25 -0.33 0.02 0.00 0.00 177.57 177.57 1n1j h GLU 130 N -0.72 0.55 -0.74 1.57 4.39 -1.78 -0.68 114.58 117.17 1n1j h GLU 130 Ca -0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1n1j h GLU 130 Cb 0.70 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.19 1n1j h GLU 130 CO -0.16 0.40 0.48 -1.35 -1.16 0.00 0.00 179.01 177.22 1n1j h PRO 131 N 0.54 0.98 -0.40 2.33 0.11 -1.77 -1.74 132.00 132.06 1n1j h PRO 131 Ca 0.15 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.04 1n1j h PRO 131 Cb -0.02 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.87 1n1j h PRO 131 CO -0.03 0.66 -0.33 -0.07 -0.21 0.00 0.00 178.00 178.01 1n1j h LEU 132 N 1.00 0.98 -0.73 2.35 3.38 -0.76 -1.79 115.31 119.74 1n1j h LEU 132 Ca 0.27 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1n1j h LEU 132 Cb -0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.34 1n1j h LEU 132 CO -0.06 1.23 0.35 0.11 0.09 0.00 0.00 178.44 180.16 1n1j h LYS 133 N 0.75 1.06 -0.55 1.13 1.57 -0.67 -0.59 116.57 119.26 1n1j h LYS 133 Ca 0.07 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1n1j h LYS 133 Cb 0.92 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1n1j h LYS 133 CO 0.09 0.83 0.15 -0.07 -0.57 0.00 0.00 179.45 179.88 1n1j h LEU 134 N 1.03 0.83 -0.30 2.94 3.38 -1.24 -1.24 115.31 120.70 1n1j h LEU 134 Ca 0.25 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1n1j h LEU 134 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1n1j h LEU 134 CO -0.03 0.83 0.14 0.22 0.09 0.00 0.00 178.44 179.69 1n1j h TYR 135 N 0.78 0.43 -0.53 1.13 3.20 -0.96 -1.20 116.97 119.82 1n1j h TYR 135 Ca 0.18 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 1n1j h TYR 135 Cb 0.31 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 1n1j h TYR 135 CO 0.02 0.39 0.00 1.25 -1.64 0.00 0.00 178.16 178.18 1n1j h LEU 136 N 0.35 0.86 -0.41 2.82 5.85 -1.00 0.15 115.31 123.93 1n1j h LEU 136 Ca 0.10 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1n1j h LEU 136 Cb 0.12 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1n1j h LEU 136 CO -0.01 0.92 0.16 -0.61 -0.34 0.00 0.00 178.44 178.56 1n1j h GLN 137 N 0.83 0.61 -0.27 1.25 4.15 -1.00 -1.72 115.11 118.95 1n1j h GLN 137 Ca 0.16 -0.11 -0.09 0.00 0.77 0.00 0.00 58.65 59.37 1n1j h GLN 137 Cb 0.49 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1n1j h GLN 137 CO 0.02 0.57 -0.23 0.87 -1.93 0.00 0.00 178.83 178.13 1n1j h LYS 138 N 0.51 0.51 -0.51 1.69 1.57 -0.97 -1.39 116.57 117.97 1n1j h LYS 138 Ca 0.14 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1n1j h LYS 138 Cb 0.19 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1n1j h LYS 138 CO -0.01 0.71 0.06 0.35 -0.57 0.00 0.00 179.45 179.98 1n1j h PHE 139 N 0.45 0.87 -0.01 -1.35 3.57 -0.55 -3.14 116.94 116.78 1n1j h PHE 139 Ca 0.07 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1n1j h PHE 139 Cb 0.65 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1n1j h PHE 139 CO 0.02 0.77 -0.62 0.54 -2.23 0.00 0.00 178.31 176.79 1n1j n ARG 140 N -4.24 0.54 0.00 1.11 1.74 -0.68 -5.09 116.66 110.03 1n1j n ARG 140 Ca 0.03 -0.41 0.10 0.00 -0.77 0.00 0.00 57.85 56.80 1n1j n ARG 140 Cb 0.27 -1.49 0.58 0.00 -1.02 0.00 0.00 32.46 30.80 1n1j n ARG 140 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26