#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fif h ILE 74 N 0.00 1.10 -0.50 0.00 3.07 -2.05 -1.80 117.51 117.33 1fif h ILE 74 Ca 0.00 -0.27 -0.04 0.00 1.55 0.00 0.00 64.86 66.11 1fif h ILE 74 Cb 0.00 0.26 -0.02 0.00 -0.27 0.00 0.00 36.82 36.78 1fif h ILE 74 CO 0.00 0.14 0.16 -0.33 -1.05 0.00 0.00 178.15 177.07 1fif h GLU 75 N 0.77 0.73 -0.20 0.16 3.07 -2.05 0.18 114.58 117.24 1fif h GLU 75 Ca 0.25 -0.12 -0.09 0.00 -0.50 0.00 0.00 59.36 58.89 1fif h GLU 75 Cb 0.05 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 27.83 1fif h GLU 75 CO -0.07 0.63 -0.24 0.28 -1.40 0.00 0.00 179.01 178.21 1fif h VAL 76 N 0.72 1.33 -0.77 3.13 2.07 -1.80 -1.06 116.25 119.87 1fif h VAL 76 Ca 0.17 -1.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 1fif h VAL 76 Cb 0.21 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1fif h VAL 76 CO -0.01 0.44 0.38 0.50 0.02 0.00 0.00 177.57 178.90 1fif h LYS 77 N 0.19 1.09 -0.31 1.57 3.64 -0.97 -0.61 116.57 121.16 1fif h LYS 77 Ca 0.03 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1fif h LYS 77 Cb 0.81 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1fif h LYS 77 CO 0.06 0.82 0.04 1.25 -2.27 0.00 0.00 179.45 179.35 1fif h LEU 78 N 1.08 0.51 -0.76 5.20 5.85 -0.54 -1.75 115.31 124.91 1fif h LEU 78 Ca 0.27 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1fif h LEU 78 Cb 0.08 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1fif h LEU 78 CO -0.04 0.65 0.50 0.00 -0.34 0.00 0.00 178.44 179.21 1fif h ALA 79 N 0.88 0.96 -0.68 1.25 0.00 -0.71 -0.84 119.26 120.12 1fif h ALA 79 Ca 0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1fif h ALA 79 Cb 0.36 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1fif h ALA 79 CO 0.01 0.38 0.22 -0.91 0.00 0.00 0.00 179.25 178.95 1fif h ASN 80 N 1.03 0.99 -0.06 0.00 -0.26 -0.97 -2.10 115.58 114.21 1fif h ASN 80 Ca 0.28 -0.20 -0.11 0.00 -0.56 0.00 0.00 56.30 55.70 1fif h ASN 80 Cb -0.11 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 36.88 1fif h ASN 80 CO -0.06 0.93 -0.31 0.24 -1.06 0.00 0.00 177.43 177.17 1fif h MET 81 N 0.99 0.52 -0.57 0.81 2.86 -0.92 -1.06 114.93 117.57 1fif h MET 81 Ca 0.22 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1fif h MET 81 Cb 0.29 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 1fif h MET 81 CO -0.01 0.77 0.12 0.93 1.06 0.00 0.00 176.91 179.79 1fif h GLU 82 N 0.45 0.89 -0.64 1.72 5.08 -0.90 -0.42 114.58 120.76 1fif h GLU 82 Ca 0.06 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 1fif h GLU 82 Cb 0.76 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1fif h GLU 82 CO 0.06 0.81 0.04 0.00 -1.00 0.00 0.00 179.01 178.92 1fif h ALA 83 N 1.28 0.86 -0.71 3.43 0.00 -0.92 -2.07 119.26 121.14 1fif h ALA 83 Ca 0.18 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1fif h ALA 83 Cb 0.33 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1fif h ALA 83 CO 0.00 0.67 0.34 0.93 0.00 0.00 0.00 179.25 181.19 1fif h GLU 84 N 1.01 1.02 -0.44 0.00 4.39 -0.53 -1.93 114.58 118.10 1fif h GLU 84 Ca 0.19 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1fif h GLU 84 Cb 0.52 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1fif h GLU 84 CO 0.02 0.81 0.21 0.82 -1.16 0.00 0.00 179.01 179.71 1fif h ILE 85 N 0.99 1.18 -0.50 3.13 2.04 -0.84 -1.74 117.51 121.77 1fif h ILE 85 Ca 0.24 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1fif h ILE 85 Cb 0.12 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1fif h ILE 85 CO -0.03 0.20 0.24 0.78 0.00 0.00 0.00 178.15 179.34 1fif h ASN 86 N 0.58 0.63 -0.42 1.72 2.35 -1.10 -0.75 115.58 118.59 1fif h ASN 86 Ca 0.15 -0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.75 1fif h ASN 86 Cb 0.12 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1fif h ASN 86 CO -0.02 0.55 -0.11 0.74 -1.65 0.00 0.00 177.43 176.94 1fif h THR 87 N 0.71 1.27 -0.63 2.81 2.02 -0.97 -2.15 112.91 115.98 1fif h THR 87 Ca 0.18 -1.22 -0.09 0.00 0.77 0.00 0.00 66.41 66.04 1fif h THR 87 Cb 0.09 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1fif h THR 87 CO -0.02 0.41 0.03 -0.07 0.37 0.00 0.00 175.52 176.24 1fif h LEU 88 N 0.65 1.06 -1.07 2.58 3.38 -0.82 -1.36 115.31 119.72 1fif h LEU 88 Ca 0.11 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 1fif h LEU 88 Cb 0.65 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1fif h LEU 88 CO 0.04 1.09 -0.46 0.11 0.09 0.00 0.00 178.44 179.31 1fif h LYS 89 N 1.00 0.00 -0.28 1.13 1.57 -1.09 -0.33 116.57 118.57 1fif h LYS 89 Ca 0.18 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.77 1fif h LYS 89 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1fif h LYS 89 CO 0.03 0.46 -0.56 0.77 -0.57 0.00 0.00 179.45 179.58 1fif h SER 90 N 0.00 0.97 -0.19 0.86 0.02 -1.08 -1.89 113.55 112.23 1fif h SER 90 Ca -0.00 -0.54 -0.10 0.00 -0.84 0.00 0.00 61.79 60.30 1fif h SER 90 Cb 0.83 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1fif h SER 90 CO 0.06 1.33 -0.23 0.11 -1.14 0.00 0.00 176.83 176.97 1fif h LYS 91 N 0.65 0.65 -0.46 3.45 1.57 -0.94 -2.06 116.57 119.43 1fif h LYS 91 Ca 0.01 -0.25 -0.12 0.00 -1.87 0.00 0.00 60.65 58.42 1fif h LYS 91 Cb 1.17 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1fif h LYS 91 CO 0.12 0.82 -0.20 1.25 -0.57 0.00 0.00 179.45 180.88 1fif h LEU 92 N 0.57 0.94 -0.90 2.94 5.85 -0.97 -0.51 115.31 123.23 1fif h LEU 92 Ca 0.08 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1fif h LEU 92 Cb 0.69 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 1fif h LEU 92 CO 0.05 1.11 0.59 -0.08 -0.34 0.00 0.00 178.44 179.77 1fif h GLU 93 N 0.80 1.16 -0.47 1.25 4.57 -1.10 0.05 114.58 120.84 1fif h GLU 93 Ca 0.11 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 1fif h GLU 93 Cb 0.75 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 1fif h GLU 93 CO 0.06 0.77 0.09 1.25 -1.18 0.00 0.00 179.01 180.00 1fif h LEU 94 N 1.20 0.74 -0.79 1.64 5.85 -0.96 -0.80 115.31 122.19 1fif h LEU 94 Ca 0.33 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1fif h LEU 94 Cb -0.11 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.67 1fif h LEU 94 CO -0.08 0.80 0.50 0.74 -0.34 0.00 0.00 178.44 180.06 1fif h THR 95 N 0.65 1.12 -0.39 1.05 2.02 -0.39 -0.38 112.91 116.59 1fif h THR 95 Ca 0.15 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.94 1fif h THR 95 Cb 0.36 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1fif h THR 95 CO 0.01 0.18 0.05 0.78 0.37 0.00 0.00 175.52 176.90 1fif h ASN 96 N 0.98 0.63 -0.38 4.18 -0.26 -0.64 -1.12 115.58 118.97 1fif h ASN 96 Ca 0.31 -0.27 -0.01 0.00 -0.56 0.00 0.00 56.30 55.77 1fif h ASN 96 Cb 0.01 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.08 1fif h ASN 96 CO -0.11 0.74 0.18 0.11 -1.06 0.00 0.00 177.43 177.29 1fif h LYS 97 N 0.50 0.55 -0.81 0.81 1.57 -0.74 -1.39 116.57 117.06 1fif h LYS 97 Ca 0.12 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1fif h LYS 97 Cb 0.39 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 1fif h LYS 97 CO 0.01 0.49 0.35 1.25 -0.57 0.00 0.00 179.45 180.98 1fif h LEU 98 N 0.47 1.09 -0.16 2.94 5.85 -1.01 -0.92 115.31 123.57 1fif h LEU 98 Ca 0.13 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1fif h LEU 98 Cb 0.13 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1fif h LEU 98 CO -0.02 0.95 0.07 -0.74 -0.34 0.00 0.00 178.44 178.37 1fif h HIS 99 N 1.16 0.23 -0.78 1.25 2.76 -0.93 -0.15 115.15 118.70 1fif h HIS 99 Ca 0.27 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.45 1fif h HIS 99 Cb 0.18 -0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.03 1fif h HIS 99 CO 0.02 0.27 0.50 0.00 -1.30 0.00 0.00 177.93 177.42 1fif h ALA 100 N 0.94 1.01 0.06 5.26 0.00 -1.06 -1.33 119.26 124.14 1fif h ALA 100 Ca 0.05 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1fif h ALA 100 Cb 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1fif h ALA 100 CO -0.01 0.34 -0.10 0.35 0.00 0.00 0.00 179.25 179.84 1fif h PHE 101 N 1.00 -0.25 -0.03 0.00 3.57 -0.88 -1.16 116.94 119.19 1fif h PHE 101 Ca 0.30 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.81 1fif h PHE 101 Cb -0.04 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 1fif h PHE 101 CO -0.03 -0.15 0.02 0.66 -2.23 0.00 0.00 178.31 176.59 1fif h SER 102 N -0.20 0.00 -0.48 0.41 4.64 -0.42 -1.26 113.55 116.25 1fif h SER 102 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1fif h SER 102 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1fif h SER 102 CO -0.06 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.13 1fif n MET 103 N -4.13 2.56 -0.21 4.77 2.81 -0.56 -4.94 117.12 117.42 1fif n MET 103 Ca -0.02 -1.92 0.00 0.00 -1.81 0.00 0.00 57.70 53.95 1fif n MET 103 Cb 0.11 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.07 1fif n MET 103 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1fif n GLY 104 N 1.09 0.82 3.68 3.03 0.00 -0.47 -4.95 105.19 108.38 1fif n GLY 104 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1fif n GLY 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fif s LYS 105 N -0.79 4.20 0.27 1.61 2.20 -0.50 -4.98 119.74 121.75 1fif s LYS 105 Ca 0.00 2.24 -0.16 0.00 -0.36 0.00 0.00 55.97 57.69 1fif s LYS 105 Cb 0.00 -3.76 -0.08 0.00 -1.51 0.00 0.00 37.83 32.47 1fif s LYS 105 CO 0.00 -0.76 0.70 0.15 -0.36 0.00 0.00 175.35 175.08 1fif s LYS 106 N 3.20 4.07 0.18 4.03 -0.14 -1.26 -4.65 119.74 125.17 1fif s LYS 106 Ca 0.73 0.70 -0.33 0.00 -1.36 0.00 0.00 55.97 55.70 1fif s LYS 106 Cb -0.36 -2.64 -0.14 0.00 -1.68 0.00 0.00 37.83 33.01 1fif s LYS 106 CO 0.31 0.28 1.54 -1.13 -0.76 0.00 0.00 175.35 175.58 1fif n SER 107 N 0.12 3.00 0.00 2.83 3.41 -1.26 -1.07 113.62 120.65 1fif n SER 107 Ca 0.01 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.71 1fif n SER 107 Cb 0.52 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 1fif n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fif n GLY 108 N 3.14 0.31 3.54 5.00 0.00 -1.26 -4.99 105.19 110.93 1fif n GLY 108 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1fif n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fif s LYS 109 N -0.90 1.95 0.69 1.61 -0.14 -0.23 -4.86 119.74 117.86 1fif s LYS 109 Ca 0.00 -1.46 -0.14 0.00 -1.36 0.00 0.00 55.97 53.01 1fif s LYS 109 Cb 0.00 -2.02 0.02 0.00 -1.68 0.00 0.00 37.83 34.14 1fif s LYS 109 CO 0.00 0.39 1.12 0.15 -0.76 0.00 0.00 175.35 176.24 1fif s LYS 110 N -3.18 2.60 -0.29 1.68 1.02 -1.26 -4.16 119.74 116.14 1fif s LYS 110 Ca 0.27 1.39 -0.08 0.00 0.02 0.00 0.00 55.97 57.58 1fif s LYS 110 Cb -0.07 -1.92 -0.00 0.00 -0.52 0.00 0.00 37.83 35.31 1fif s LYS 110 CO 0.16 -1.41 0.10 0.12 -0.92 0.00 0.00 175.35 173.40 1fif s PHE 111 N -2.41 3.15 -0.13 3.18 5.36 -0.17 -4.61 117.98 122.36 1fif s PHE 111 Ca 0.67 -0.74 -0.05 0.00 -0.96 0.00 0.00 56.93 55.85 1fif s PHE 111 Cb -0.21 -2.29 -0.04 0.00 -0.34 0.00 0.00 43.02 40.15 1fif s PHE 111 CO 0.45 -0.50 0.04 -0.06 -1.46 0.00 0.00 175.22 173.69 1fif s PHE 112 N 1.56 3.24 0.00 10.12 0.08 -1.26 -0.14 117.98 131.58 1fif s PHE 112 Ca 0.04 0.15 -0.14 0.00 0.12 0.00 0.00 56.93 57.09 1fif s PHE 112 Cb -0.17 -1.93 0.02 0.00 -0.57 0.00 0.00 43.02 40.37 1fif s PHE 112 CO 0.04 0.34 0.30 0.54 -0.10 0.00 0.00 175.22 176.34 1fif s VAL 113 N -0.32 0.07 0.05 -0.44 0.11 -0.37 -4.97 120.40 114.52 1fif s VAL 113 Ca 0.08 -0.54 -0.03 0.00 -2.93 0.00 0.00 61.98 58.56 1fif s VAL 113 Cb -0.12 -0.70 -0.03 0.00 -1.53 0.00 0.00 36.38 34.01 1fif s VAL 113 CO 0.02 -0.30 0.03 0.28 -3.33 0.00 0.00 175.10 171.80 1fif s THR 114 N -1.66 0.18 -1.35 5.04 -1.32 -1.26 -0.81 115.64 114.45 1fif s THR 114 Ca -0.11 -1.46 0.14 0.00 -1.21 0.00 0.00 61.69 59.05 1fif s THR 114 Cb -0.04 -1.23 0.31 0.00 -1.51 0.00 0.00 72.50 70.03 1fif s THR 114 CO 0.02 -0.81 1.22 -0.46 -2.21 0.00 0.00 174.62 172.39 1fif n ASN 115 N 0.37 2.91 -0.31 8.08 6.94 -1.26 -4.96 115.26 127.03 1fif n ASN 115 Ca -0.16 -1.89 -0.04 0.00 -0.02 0.00 0.00 54.58 52.47 1fif n ASN 115 Cb 0.60 -0.21 -0.02 0.00 -2.36 0.00 0.00 39.78 37.79 1fif n ASN 115 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1fif n HIS 116 N 0.80 0.00 -3.13 -2.53 8.25 -1.26 -5.00 115.22 112.35 1fif n HIS 116 Ca 0.13 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.20 1fif n HIS 116 Cb 0.44 -1.57 -0.06 0.00 1.12 0.00 0.00 29.99 29.92 1fif n HIS 116 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1fif s GLU 117 N -1.82 4.38 -0.17 -0.41 2.12 -1.26 -4.90 118.70 116.65 1fif s GLU 117 Ca 0.00 0.94 -0.08 0.00 0.36 0.00 0.00 54.97 56.19 1fif s GLU 117 Cb 0.00 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 1fif s GLU 117 CO 0.00 0.59 0.11 1.03 -0.54 0.00 0.00 175.26 176.44 1fif s ARG 118 N -1.05 3.86 0.24 4.30 0.52 -1.26 -1.15 118.95 124.40 1fif s ARG 118 Ca 0.32 -0.24 -0.21 0.00 -0.52 0.00 0.00 55.73 55.08 1fif s ARG 118 Cb -0.21 -3.27 0.04 0.00 0.52 0.00 0.00 34.95 32.03 1fif s ARG 118 CO 0.22 0.45 0.66 0.00 0.02 0.00 0.00 175.30 176.66 1fif s MET 119 N -0.10 1.59 0.73 3.54 0.23 -0.56 -4.77 119.30 119.96 1fif s MET 119 Ca 0.09 -0.82 -0.14 0.00 -1.03 0.00 0.00 55.69 53.79 1fif s MET 119 Cb -0.12 0.60 0.04 0.00 -1.53 0.00 0.00 34.83 33.82 1fif s MET 119 CO 0.00 -0.72 1.14 -2.14 -2.03 0.00 0.00 175.02 171.28 1fif s PRO 120 N -3.86 2.30 0.27 3.16 0.02 -1.26 -1.67 135.00 133.96 1fif s PRO 120 Ca 0.08 1.51 0.01 0.00 0.02 0.00 0.00 61.00 62.61 1fif s PRO 120 Cb -0.04 -1.88 0.61 0.00 0.02 0.00 0.00 34.50 33.21 1fif s PRO 120 CO -0.00 -1.66 1.73 0.35 -0.33 0.00 0.00 177.00 177.09 1fif h PHE 121 N -0.45 0.68 -0.57 6.54 3.57 -1.40 -0.42 116.94 124.89 1fif h PHE 121 Ca -0.46 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.12 1fif h PHE 121 Cb 1.26 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 1fif h PHE 121 CO 0.52 0.06 0.38 0.66 -2.23 0.00 0.00 178.31 177.70 1fif h SER 122 N 0.50 0.52 0.13 0.41 4.64 -1.92 -1.14 113.55 116.70 1fif h SER 122 Ca 0.50 -0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.62 1fif h SER 122 Cb 0.83 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1fif h SER 122 CO -0.44 0.35 -0.73 0.11 -0.87 0.00 0.00 176.83 175.25 1fif h LYS 123 N 0.60 0.52 -0.27 4.77 1.79 -1.44 -2.62 116.57 119.92 1fif h LYS 123 Ca 0.23 -0.42 -0.03 0.00 -2.18 0.00 0.00 60.65 58.25 1fif h LYS 123 Cb 0.17 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 1fif h LYS 123 CO -0.07 1.05 0.04 0.28 -1.08 0.00 0.00 179.45 179.67 1fif h VAL 124 N 0.36 1.23 -0.22 0.50 2.07 -0.86 -0.27 116.25 119.07 1fif h VAL 124 Ca -0.03 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.71 1fif h VAL 124 Cb 1.32 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 1fif h VAL 124 CO 0.13 0.26 0.08 0.11 0.02 0.00 0.00 177.57 178.17 1fif h LYS 125 N 0.27 0.18 -0.59 1.57 1.57 -1.25 -0.41 116.57 117.91 1fif h LYS 125 Ca 0.08 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1fif h LYS 125 Cb 0.34 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1fif h LYS 125 CO 0.01 0.12 0.28 0.00 -0.57 0.00 0.00 179.45 179.29 1fif h ALA 126 N 1.13 0.76 0.13 3.86 0.00 -1.36 -0.67 119.26 123.11 1fif h ALA 126 Ca 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1fif h ALA 126 Cb 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1fif h ALA 126 CO -0.09 0.32 -0.06 1.25 0.00 0.00 0.00 179.25 180.67 1fif h LEU 127 N 0.80 -0.15 -1.13 0.00 5.85 -0.72 -0.54 115.31 119.41 1fif h LEU 127 Ca 0.20 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1fif h LEU 127 Cb 0.12 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1fif h LEU 127 CO -0.03 -0.00 0.32 0.00 -0.34 0.00 0.00 178.44 178.40 1fif h SER 129 N 0.93 1.01 0.43 0.00 0.87 -0.83 0.14 113.55 116.10 1fif h SER 129 Ca 0.23 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1fif h SER 129 Cb 0.09 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.79 1fif h SER 129 CO -0.03 0.81 -0.03 -0.08 -0.53 0.00 0.00 176.83 176.97 1fif h GLU 130 N 1.13 0.00 -0.19 2.24 4.81 -0.49 -0.31 114.58 121.78 1fif h GLU 130 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1fif h GLU 130 Cb 0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1fif h GLU 130 CO -0.05 0.03 0.00 1.28 -0.73 0.00 0.00 179.01 179.55 1fif n LEU 131 N -3.26 2.70 -1.50 1.64 4.77 -0.63 -4.93 117.00 115.78 1fif n LEU 131 Ca -0.02 -1.05 -0.12 0.00 -0.03 0.00 0.00 56.01 54.80 1fif n LEU 131 Cb 0.19 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1fif n LEU 131 CO 0.25 0.52 -0.08 0.54 -1.33 0.00 0.00 177.39 177.29 1fif n ARG 132 N 1.04 -1.68 -1.02 3.23 3.00 -0.13 -5.01 116.66 116.09 1fif n ARG 132 Ca 0.17 0.53 0.00 0.00 -0.01 0.00 0.00 57.85 58.54 1fif n ARG 132 Cb 0.52 -4.61 0.00 0.00 0.00 0.00 0.00 32.46 28.36 1fif n ARG 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1fif n GLY 133 N -1.08 5.59 3.19 -0.13 0.00 0.39 -4.96 105.19 108.18 1fif n GLY 133 Ca -0.10 -1.95 -0.10 0.00 0.00 0.00 0.00 46.02 43.87 1fif n GLY 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fif s THR 134 N -0.45 0.09 0.26 2.61 -4.23 -0.96 -3.62 115.64 109.35 1fif s THR 134 Ca 0.00 -1.81 -0.30 0.00 -1.18 0.00 0.00 61.69 58.40 1fif s THR 134 Cb 0.00 -2.00 -0.11 0.00 1.34 0.00 0.00 72.50 71.73 1fif s THR 134 CO 0.00 -0.43 1.51 -0.69 -0.54 0.00 0.00 174.62 174.47 1fif s VAL 135 N -4.03 2.42 0.18 2.29 1.01 -1.26 -0.27 120.40 120.73 1fif s VAL 135 Ca 0.23 0.35 -0.33 0.00 0.00 0.00 0.00 61.98 62.23 1fif s VAL 135 Cb 0.07 -3.22 -0.15 0.00 0.00 0.00 0.00 36.38 33.07 1fif s VAL 135 CO 0.01 0.05 1.30 0.00 0.00 0.00 0.00 175.10 176.46 1fif n ALA 136 N 2.37 -0.05 -3.79 5.51 0.00 -0.30 -4.01 120.51 120.25 1fif n ALA 136 Ca 0.08 0.45 -0.25 0.00 0.00 0.00 0.00 53.44 53.72 1fif n ALA 136 Cb 0.39 -2.14 -0.17 0.00 0.00 0.00 0.00 19.45 17.53 1fif n ALA 136 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1fif s ILE 137 N 0.03 0.53 -0.18 0.00 1.01 -1.26 -0.86 121.20 120.47 1fif s ILE 137 Ca 0.74 -0.11 -0.24 0.00 0.00 0.00 0.00 60.65 61.04 1fif s ILE 137 Cb -0.79 -0.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 1fif s ILE 137 CO 0.49 0.17 0.76 -2.16 0.00 0.00 0.00 174.94 174.20 1fif s PRO 138 N 1.90 4.27 0.00 2.79 0.04 -1.26 -4.91 135.00 137.83 1fif s PRO 138 Ca 0.04 0.87 0.24 0.00 0.04 0.00 0.00 61.00 62.18 1fif s PRO 138 Cb -0.13 -3.57 0.17 0.00 0.04 0.00 0.00 34.50 31.01 1fif s PRO 138 CO -0.06 -0.29 1.21 0.54 0.04 0.00 0.00 177.00 178.44 1fif n ARG 139 N 5.13 1.51 -3.81 4.56 5.12 -1.26 -4.83 116.66 123.08 1fif n ARG 139 Ca 0.02 -1.21 -0.05 0.00 -1.93 0.00 0.00 57.85 54.68 1fif n ARG 139 Cb 0.49 -1.47 -0.00 0.00 -1.16 0.00 0.00 32.46 30.31 1fif n ARG 139 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1fif s ASN 140 N -2.32 -0.13 0.32 0.55 2.20 -1.26 -4.64 114.94 109.66 1fif s ASN 140 Ca 0.23 -0.61 0.02 0.00 -0.94 0.00 0.00 52.86 51.55 1fif s ASN 140 Cb 0.19 0.59 0.58 0.00 -2.00 0.00 0.00 41.25 40.61 1fif s ASN 140 CO 0.48 -1.13 1.94 0.00 -2.94 0.00 0.00 177.10 175.45 1fif h ALA 141 N 2.00 1.55 0.18 3.54 0.00 -1.97 -0.54 119.26 124.02 1fif h ALA 141 Ca -0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1fif h ALA 141 Cb 1.23 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1fif h ALA 141 CO 0.29 0.34 -0.09 1.49 0.00 0.00 0.00 179.25 181.29 1fif h GLU 142 N 0.96 -0.23 -0.50 0.00 4.81 -1.99 -1.68 114.58 115.94 1fif h GLU 142 Ca 0.35 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.56 1fif h GLU 142 Cb 0.15 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1fif h GLU 142 CO -0.12 -0.06 0.17 0.93 -0.73 0.00 0.00 179.01 179.20 1fif h GLU 143 N -0.35 0.74 -0.73 1.92 5.08 -1.90 -1.05 114.58 118.28 1fif h GLU 143 Ca -0.02 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1fif h GLU 143 Cb 0.27 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1fif h GLU 143 CO 0.04 0.63 0.44 -0.97 -1.00 0.00 0.00 179.01 178.16 1fif h ASN 144 N 0.73 0.88 -0.53 1.42 -1.24 -0.88 -0.56 115.58 115.39 1fif h ASN 144 Ca 0.17 -0.06 -0.12 0.00 0.71 0.00 0.00 56.30 57.00 1fif h ASN 144 Cb 0.19 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.00 1fif h ASN 144 CO -0.01 0.68 -0.13 0.50 -1.29 0.00 0.00 177.43 177.18 1fif h LYS 145 N 1.00 1.03 -0.65 6.67 3.64 -0.70 -1.68 116.57 125.89 1fif h LYS 145 Ca 0.26 -0.39 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1fif h LYS 145 Cb -0.04 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1fif h LYS 145 CO -0.05 1.08 0.31 0.00 -2.27 0.00 0.00 179.45 178.53 1fif h ALA 146 N 0.93 0.84 -0.21 5.00 0.00 -0.68 -0.30 119.26 124.83 1fif h ALA 146 Ca 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1fif h ALA 146 Cb 0.70 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1fif h ALA 146 CO 0.05 0.40 0.04 0.82 0.00 0.00 0.00 179.25 180.57 1fif h ILE 147 N 0.90 1.22 -0.91 0.00 2.04 -1.01 -2.18 117.51 117.56 1fif h ILE 147 Ca 0.22 -0.71 0.09 0.00 1.00 0.00 0.00 64.86 65.47 1fif h ILE 147 Cb 0.12 1.28 -0.07 0.00 -0.74 0.00 0.00 36.82 37.40 1fif h ILE 147 CO -0.03 0.22 0.56 -0.61 0.00 0.00 0.00 178.15 178.29 1fif h GLN 148 N 0.16 0.91 -0.04 2.37 4.15 -1.00 -1.22 115.11 120.44 1fif h GLN 148 Ca 0.07 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.31 1fif h GLN 148 Cb 0.30 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1fif h GLN 148 CO 0.00 0.60 -0.52 0.93 -1.93 0.00 0.00 178.83 177.91 1fif h GLU 149 N 0.94 0.11 0.02 1.69 5.08 -0.86 -1.49 114.58 120.07 1fif h GLU 149 Ca 0.43 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.55 1fif h GLU 149 Cb 0.35 0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.62 1fif h GLU 149 CO -0.23 0.61 -0.70 0.28 -1.00 0.00 0.00 179.01 177.97 1fif h VAL 150 N 0.09 1.42 -0.15 3.13 2.07 -0.73 -3.35 116.25 118.72 1fif h VAL 150 Ca -0.00 -2.17 -0.14 0.00 0.82 0.00 0.00 66.70 65.21 1fif h VAL 150 Cb 0.96 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 1fif h VAL 150 CO 0.07 0.63 -0.45 0.00 0.02 0.00 0.00 177.57 177.85 1fif h ALA 151 N 0.30 0.26 0.00 1.67 0.00 -1.28 -3.46 119.26 116.75 1fif h ALA 151 Ca -0.09 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1fif h ALA 151 Cb 1.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1fif h ALA 151 CO 0.14 0.40 0.00 1.63 0.00 0.00 0.00 179.25 181.42 1fif n LYS 152 N -4.24 0.00 -1.48 0.00 5.02 -0.56 -4.84 118.16 112.06 1fif n LYS 152 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1fif n LYS 152 Cb 0.57 -3.47 0.00 0.00 -0.02 0.00 0.00 35.03 32.10 1fif n LYS 152 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1fif n THR 153 N -2.00 0.00 -2.40 -0.18 -2.24 -1.26 -4.85 114.28 101.34 1fif n THR 153 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1fif n THR 153 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1fif n THR 153 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1fif s SER 154 N -0.82 7.00 0.02 3.42 1.04 -1.26 -4.49 113.70 118.60 1fif s SER 154 Ca 0.00 1.87 -0.00 0.00 0.48 0.00 0.00 55.95 58.30 1fif s SER 154 Cb 0.00 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.55 1fif s SER 154 CO 0.00 -0.63 -0.03 0.00 0.98 0.00 0.00 173.24 173.57 1fif s ALA 155 N 2.36 0.11 0.57 5.32 0.00 -0.88 -1.65 121.76 127.58 1fif s ALA 155 Ca 0.58 -0.53 -0.19 0.00 0.00 0.00 0.00 51.96 51.82 1fif s ALA 155 Cb -0.26 0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 1fif s ALA 155 CO 0.22 -0.14 1.15 -0.06 0.00 0.00 0.00 175.76 176.93 1fif s PHE 156 N -1.31 2.57 0.16 0.00 0.08 -1.12 -0.62 117.98 117.74 1fif s PHE 156 Ca -0.14 1.54 0.10 0.00 0.12 0.00 0.00 56.93 58.54 1fif s PHE 156 Cb -0.09 -3.34 -0.04 0.00 -0.57 0.00 0.00 43.02 38.98 1fif s PHE 156 CO -0.01 -1.80 -0.19 -0.51 -0.10 0.00 0.00 175.22 172.62 1fif s LEU 157 N -3.99 2.65 -1.49 -0.37 1.43 0.08 -4.62 118.68 112.36 1fif s LEU 157 Ca 0.74 -0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 53.06 1fif s LEU 157 Cb -0.26 -1.42 -0.07 0.00 0.03 0.00 0.00 46.19 44.47 1fif s LEU 157 CO 0.30 0.14 2.75 0.61 0.23 0.00 0.00 176.35 180.38 1fif n GLY 158 N 0.44 4.06 2.88 -3.19 0.00 -0.04 -4.55 105.19 104.79 1fif n GLY 158 Ca -0.14 -1.40 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 1fif n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fif s ILE 159 N 2.51 -0.02 0.06 -0.61 1.01 -1.26 -1.48 121.20 121.40 1fif s ILE 159 Ca 0.63 0.08 -0.15 0.00 0.00 0.00 0.00 60.65 61.21 1fif s ILE 159 Cb 0.16 -0.09 0.03 0.00 0.01 0.00 0.00 42.46 42.57 1fif s ILE 159 CO -0.06 0.03 0.35 0.42 0.00 0.00 0.00 174.94 175.69 1fif s THR 160 N 0.45 0.07 -0.40 2.92 -4.23 -0.70 -3.33 115.64 110.42 1fif s THR 160 Ca -0.04 -0.60 0.05 0.00 -1.18 0.00 0.00 61.69 59.92 1fif s THR 160 Cb -0.05 -0.99 0.43 0.00 1.34 0.00 0.00 72.50 73.23 1fif s THR 160 CO -0.02 -0.33 1.14 -0.90 -0.54 0.00 0.00 174.62 173.97 1fif n ASP 161 N 0.41 4.80 0.12 3.99 5.75 -0.97 -0.86 116.55 129.80 1fif n ASP 161 Ca -0.18 -3.73 -0.02 0.00 -0.01 0.00 0.00 54.79 50.85 1fif n ASP 161 Cb 0.60 -0.43 0.11 0.00 -1.03 0.00 0.00 41.12 40.37 1fif n ASP 161 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1fif h GLU 162 N 2.47 0.00 0.20 0.11 5.08 -1.84 -3.30 114.58 117.31 1fif h GLU 162 Ca 0.32 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 1fif h GLU 162 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1fif h GLU 162 CO 0.83 0.69 -0.10 0.28 -1.00 0.00 0.00 179.01 179.71 1fif h VAL 163 N 0.00 0.53 -3.26 3.13 2.07 -1.88 -3.44 116.25 113.41 1fif h VAL 163 Ca -0.01 -1.02 -0.53 0.00 0.82 0.00 0.00 66.70 65.97 1fif h VAL 163 Cb 1.24 0.91 -0.38 0.00 -1.52 0.00 0.00 31.29 31.54 1fif h VAL 163 CO 0.09 0.15 -0.79 -0.89 0.02 0.00 0.00 177.57 176.14 1fif s THR 164 N -3.08 0.98 0.09 2.57 2.01 -1.25 -5.10 115.64 111.85 1fif s THR 164 Ca -0.10 -0.42 -0.36 0.00 0.31 0.00 0.00 61.69 61.12 1fif s THR 164 Cb 0.00 -1.10 -0.16 0.00 0.01 0.00 0.00 72.50 71.25 1fif s THR 164 CO 0.35 0.22 1.41 1.21 -0.69 0.00 0.00 174.62 177.12 1fif n GLU 165 N 4.94 1.38 0.00 4.92 4.07 -1.24 -0.93 120.64 133.78 1fif n GLU 165 Ca -0.11 0.50 0.00 0.00 -0.06 0.00 0.00 57.16 57.48 1fif n GLU 165 Cb 0.49 -2.17 0.00 0.00 -0.06 0.00 0.00 31.44 29.70 1fif n GLU 165 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1fif n GLY 166 N 2.77 3.13 3.34 8.31 0.00 -1.26 -4.98 105.19 116.50 1fif n GLY 166 Ca 0.18 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.74 1fif n GLY 166 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fif s GLN 167 N -0.51 3.42 0.17 1.61 -1.52 -0.10 -5.05 119.66 117.68 1fif s GLN 167 Ca 0.00 -2.15 -0.30 0.00 -1.95 0.00 0.00 55.36 50.96 1fif s GLN 167 Cb 0.00 -4.42 -0.07 0.00 -0.22 0.00 0.00 33.01 28.29 1fif s GLN 167 CO 0.00 -1.36 1.02 -0.06 -0.25 0.00 0.00 175.29 174.64 1fif s PHE 168 N 0.88 3.75 0.08 0.91 0.40 -1.26 -4.41 117.98 118.33 1fif s PHE 168 Ca 0.15 1.74 0.05 0.00 -0.60 0.00 0.00 56.93 58.27 1fif s PHE 168 Cb -0.15 -3.14 -0.03 0.00 0.51 0.00 0.00 43.02 40.21 1fif s PHE 168 CO -0.05 -0.10 -0.14 -1.64 0.70 0.00 0.00 175.22 174.00 1fif s MET 169 N -0.43 0.84 0.33 0.44 -1.94 -0.04 -3.18 119.30 115.31 1fif s MET 169 Ca 0.47 -0.99 -0.27 0.00 -1.71 0.00 0.00 55.69 53.18 1fif s MET 169 Cb -0.27 -0.80 -0.09 0.00 2.01 0.00 0.00 34.83 35.68 1fif s MET 169 CO 0.33 0.17 1.07 0.71 -0.01 0.00 0.00 175.02 177.29 1fif s TYR 170 N -1.45 3.47 0.48 -0.03 2.02 -0.26 -1.72 117.35 119.86 1fif s TYR 170 Ca -0.01 1.69 0.40 0.00 -0.37 0.00 0.00 57.07 58.79 1fif s TYR 170 Cb -0.09 -3.20 2.06 0.00 -0.40 0.00 0.00 41.96 40.33 1fif s TYR 170 CO 0.02 -0.53 2.24 -0.39 -1.57 0.00 0.00 175.55 175.33 1fif h VAL 171 N 2.71 0.03 -0.26 0.71 -1.51 -1.61 0.63 116.25 116.95 1fif h VAL 171 Ca -0.47 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1fif h VAL 171 Cb 1.21 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 1fif h VAL 171 CO 0.65 0.01 0.00 0.35 -1.23 0.00 0.00 177.57 177.34 1fif n THR 172 N -3.12 0.34 0.00 7.19 -2.24 -1.26 -5.02 114.28 110.16 1fif n THR 172 Ca -0.02 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1fif n THR 172 Cb 0.15 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1fif n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fif n GLY 173 N 1.29 2.58 0.00 3.38 0.00 0.21 -5.16 105.19 107.48 1fif n GLY 173 Ca 0.17 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1fif n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fif n GLY 174 N 1.37 2.42 3.85 -0.02 0.00 -1.26 -4.49 105.19 107.05 1fif n GLY 174 Ca 0.00 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.83 1fif n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fif s ARG 175 N -3.28 4.01 0.26 1.61 0.52 -1.26 -1.11 118.95 119.69 1fif s ARG 175 Ca 0.00 0.67 -0.30 0.00 -0.52 0.00 0.00 55.73 55.58 1fif s ARG 175 Cb 0.00 -2.44 -0.14 0.00 0.52 0.00 0.00 34.95 32.90 1fif s ARG 175 CO 0.00 0.16 1.30 1.28 0.02 0.00 0.00 175.30 178.06 1fif n LEU 176 N -0.36 2.82 -0.04 2.53 4.32 -1.19 -4.87 117.00 120.22 1fif n LEU 176 Ca 0.03 1.16 0.01 0.00 -0.02 0.00 0.00 56.01 57.20 1fif n LEU 176 Cb 0.53 -1.39 -0.01 0.00 -1.62 0.00 0.00 43.42 40.93 1fif n LEU 176 CO 0.41 -0.71 0.09 0.35 -1.22 0.00 0.00 177.39 176.31 1fif n THR 177 N 1.32 0.00 -3.64 -5.08 -2.24 -1.26 -5.02 114.28 98.37 1fif n THR 177 Ca 0.10 -0.46 -0.15 0.00 -2.27 0.00 0.00 64.05 61.27 1fif n THR 177 Cb 0.32 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 69.49 1fif n THR 177 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1fif s TYR 178 N -0.93 -0.55 0.12 4.78 6.14 -1.26 -5.03 117.35 120.62 1fif s TYR 178 Ca 0.02 1.14 -0.17 0.00 0.64 0.00 0.00 57.07 58.70 1fif s TYR 178 Cb 0.02 0.26 0.04 0.00 0.42 0.00 0.00 41.96 42.70 1fif s TYR 178 CO 0.08 -0.43 0.41 -1.54 0.64 0.00 0.00 175.55 174.71 1fif s SER 179 N -0.57 -0.25 -0.35 4.32 1.04 -1.26 -4.97 113.70 111.66 1fif s SER 179 Ca -0.07 -0.28 0.15 0.00 0.48 0.00 0.00 55.95 56.24 1fif s SER 179 Cb -0.03 0.48 0.42 0.00 0.10 0.00 0.00 66.02 66.99 1fif s SER 179 CO 0.05 -0.84 0.97 -3.20 0.98 0.00 0.00 173.24 171.20 1fif n ASN 180 N -0.18 0.69 -4.77 7.02 5.15 -1.26 -5.07 115.26 116.84 1fif n ASN 180 Ca -0.16 -2.78 -0.41 0.00 -0.60 0.00 0.00 54.58 50.63 1fif n ASN 180 Cb 0.63 -0.22 -0.00 0.00 -0.53 0.00 0.00 39.78 39.66 1fif n ASN 180 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1fif s TRP 181 N -2.37 2.70 0.48 1.20 0.52 -1.26 -0.48 118.94 119.73 1fif s TRP 181 Ca 0.29 1.27 -0.22 0.00 0.02 0.00 0.00 56.10 57.46 1fif s TRP 181 Cb 0.42 -3.89 -0.07 0.00 -1.15 0.00 0.00 33.47 28.78 1fif s TRP 181 CO -0.01 -2.61 1.13 0.21 0.02 0.00 0.00 176.95 175.69 1fif s LYS 182 N -2.09 3.70 0.28 4.98 2.20 -0.54 -4.70 119.74 123.57 1fif s LYS 182 Ca 0.53 1.67 -0.02 0.00 -0.36 0.00 0.00 55.97 57.79 1fif s LYS 182 Cb -0.44 -2.29 0.60 0.00 -1.51 0.00 0.00 37.83 34.20 1fif s LYS 182 CO 0.58 -0.57 1.47 0.36 -0.36 0.00 0.00 175.35 176.83 1fif n LYS 183 N -0.70 -0.08 -0.74 4.03 2.85 -1.26 -0.55 118.16 121.71 1fif n LYS 183 Ca 0.08 1.43 0.05 0.00 -1.05 0.00 0.00 58.31 58.83 1fif n LYS 183 Cb 0.49 -2.22 0.33 0.00 -0.65 0.00 0.00 35.03 32.98 1fif n LYS 183 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1fif n ASP 184 N -5.45 4.83 -4.44 -5.58 5.75 -1.26 -4.92 116.55 105.48 1fif n ASP 184 Ca 0.19 -2.77 -0.29 0.00 -0.01 0.00 0.00 54.79 51.91 1fif n ASP 184 Cb 0.62 -0.66 -0.12 0.00 -1.03 0.00 0.00 41.12 39.93 1fif n ASP 184 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1fif s GLN 185 N -2.44 1.65 0.29 0.11 -1.52 0.28 -3.82 119.66 114.22 1fif s GLN 185 Ca 0.44 -1.23 -0.28 0.00 -1.95 0.00 0.00 55.36 52.35 1fif s GLN 185 Cb 0.34 -2.02 -0.09 0.00 -0.22 0.00 0.00 33.01 31.01 1fif s GLN 185 CO 0.13 0.48 1.01 -1.25 -0.25 0.00 0.00 175.29 175.40 1fif s PRO 186 N -1.98 4.63 -0.20 2.91 0.04 -1.26 -4.57 135.00 134.57 1fif s PRO 186 Ca 0.16 1.56 0.15 0.00 0.04 0.00 0.00 61.00 62.90 1fif s PRO 186 Cb -0.10 -3.04 0.44 0.00 0.04 0.00 0.00 34.50 31.84 1fif s PRO 186 CO 0.07 0.28 1.33 -0.40 0.04 0.00 0.00 177.00 178.32 1fif n ASP 187 N 0.97 2.82 -4.77 6.66 5.75 -1.25 -5.03 116.55 121.71 1fif n ASP 187 Ca 0.00 -3.34 -0.40 0.00 -0.01 0.00 0.00 54.79 51.04 1fif n ASP 187 Cb 0.47 -0.53 -0.01 0.00 -1.03 0.00 0.00 41.12 40.02 1fif n ASP 187 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1fif s ASP 188 N -2.52 6.49 0.42 -1.12 2.15 -1.26 -4.99 116.67 115.83 1fif s ASP 188 Ca 0.39 2.73 -0.18 0.00 0.43 0.00 0.00 52.55 55.93 1fif s ASP 188 Cb 0.34 -2.65 -0.09 0.00 -0.30 0.00 0.00 42.92 40.22 1fif s ASP 188 CO 0.03 -0.74 0.89 0.26 -0.17 0.00 0.00 175.17 175.44 1fif s TRP 189 N -1.19 3.37 0.39 -5.34 0.52 -1.26 -5.03 118.94 110.39 1fif s TRP 189 Ca 0.53 1.43 -0.13 0.00 0.02 0.00 0.00 56.10 57.95 1fif s TRP 189 Cb -0.40 -2.72 -0.08 0.00 -1.15 0.00 0.00 33.47 29.12 1fif s TRP 189 CO 0.53 -0.11 0.79 0.71 0.02 0.00 0.00 176.95 178.89 1fif s TYR 190 N -2.24 3.42 0.00 -1.98 4.12 -1.26 -4.46 117.35 114.96 1fif s TYR 190 Ca 0.58 1.19 0.00 0.00 0.02 0.00 0.00 57.07 58.86 1fif s TYR 190 Cb -0.10 -2.54 0.00 0.00 -1.52 0.00 0.00 41.96 37.80 1fif s TYR 190 CO 0.20 -0.07 0.00 0.41 0.02 0.00 0.00 175.55 176.11 1fif n GLY 191 N -0.97 1.41 3.77 0.71 0.00 -1.26 -5.10 105.19 103.75 1fif n GLY 191 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1fif n GLY 191 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1fif s HIS 192 N -2.12 2.97 0.16 1.61 3.76 -1.26 -5.05 115.29 115.36 1fif s HIS 192 Ca 0.00 1.52 -0.01 0.00 -0.15 0.00 0.00 55.06 56.42 1fif s HIS 192 Cb 0.00 -3.45 0.03 0.00 1.11 0.00 0.00 32.58 30.27 1fif s HIS 192 CO 0.00 -1.54 0.22 0.41 -0.85 0.00 0.00 174.74 172.99 1fif n GLY 193 N 0.61 0.16 3.63 -2.22 0.00 -1.26 -4.86 105.19 101.24 1fif n GLY 193 Ca 0.05 -1.88 -0.51 0.00 0.00 0.00 0.00 46.02 43.67 1fif n GLY 193 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1fif n LEU 194 N 0.00 2.12 0.00 0.99 7.94 -1.26 -0.94 117.00 125.85 1fif n LEU 194 Ca 0.03 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 1fif n LEU 194 Cb 0.12 -1.24 0.00 0.00 0.53 0.00 0.00 43.42 42.83 1fif n LEU 194 CO 0.08 -0.77 0.00 0.61 -1.11 0.00 0.00 177.39 176.20 1fif n GLY 195 N 2.99 2.93 3.87 -3.96 0.00 -1.26 -5.00 105.19 104.76 1fif n GLY 195 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1fif n GLY 195 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fif s GLY 196 N -1.65 1.99 0.00 -0.02 0.00 -0.11 -4.92 107.32 102.61 1fif s GLY 196 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.51 1fif s GLY 196 CO 0.00 -0.03 0.00 0.61 0.00 0.00 0.00 173.10 173.68 1fif n GLY 197 N -1.11 -0.73 3.16 0.20 0.00 -1.26 -4.65 105.19 100.81 1fif n GLY 197 Ca 0.02 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 1fif n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fif s GLU 198 N 0.00 2.54 0.00 1.61 2.02 -1.26 -4.23 118.70 119.38 1fif s GLU 198 Ca 0.00 -2.17 0.11 0.00 0.02 0.00 0.00 54.97 52.92 1fif s GLU 198 Cb 0.00 -3.83 0.26 0.00 0.10 0.00 0.00 34.13 30.66 1fif s GLU 198 CO 0.00 -1.17 1.18 -0.25 0.02 0.00 0.00 175.26 175.04 1fif n ASP 199 N 4.15 2.74 -4.75 -0.19 8.00 -1.17 -4.52 116.55 120.81 1fif n ASP 199 Ca 0.02 -1.90 -0.23 0.00 0.71 0.00 0.00 54.79 53.39 1fif n ASP 199 Cb 0.40 -0.19 -0.06 0.00 -0.02 0.00 0.00 41.12 41.25 1fif n ASP 199 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fif s VAL 201 N -2.45 0.90 0.04 0.00 1.01 -1.21 -0.95 120.40 117.74 1fif s VAL 201 Ca 0.39 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.97 1fif s VAL 201 Cb -0.02 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 1fif s VAL 201 CO 0.23 0.27 -0.10 -1.38 0.00 0.00 0.00 175.10 174.12 1fif s HIS 202 N 0.09 0.88 0.26 5.22 -3.43 -0.55 -0.74 115.29 117.02 1fif s HIS 202 Ca -0.02 -0.41 -0.02 0.00 -0.80 0.00 0.00 55.06 53.81 1fif s HIS 202 Cb -0.08 -0.52 -0.05 0.00 -1.43 0.00 0.00 32.58 30.51 1fif s HIS 202 CO 0.01 -0.02 0.48 -1.50 -2.00 0.00 0.00 174.74 171.70 1fif s ILE 203 N -1.10 5.11 0.52 -5.38 2.07 0.20 -1.62 121.20 121.01 1fif s ILE 203 Ca -0.04 -0.19 0.01 0.00 -1.41 0.00 0.00 60.65 59.01 1fif s ILE 203 Cb -0.09 -3.75 0.01 0.00 0.13 0.00 0.00 42.46 38.77 1fif s ILE 203 CO 0.01 -0.28 0.07 1.33 -1.91 0.00 0.00 174.94 174.16 1fif n VAL 204 N -0.90 0.00 -0.37 4.00 0.24 -0.64 -2.06 118.33 118.60 1fif n VAL 204 Ca -0.03 -2.38 0.02 0.00 -2.04 0.00 0.00 64.34 59.91 1fif n VAL 204 Cb 0.54 0.40 0.09 0.00 -1.47 0.00 0.00 33.84 33.40 1fif n VAL 204 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1fif h ASP 205 N 1.14 -1.17 0.17 -1.34 3.32 -1.89 0.21 116.42 116.86 1fif h ASP 205 Ca -0.41 0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1fif h ASP 205 Cb 1.29 0.68 0.00 0.00 0.22 0.00 0.00 39.33 41.52 1fif h ASP 205 CO 0.68 -0.31 0.00 -0.46 -1.72 0.00 0.00 179.24 177.43 1fif n ASN 206 N -5.55 0.00 0.00 6.45 0.23 -1.26 -4.91 115.26 110.23 1fif n ASN 206 Ca 0.13 -0.71 0.00 0.00 -0.53 0.00 0.00 54.58 53.47 1fif n ASN 206 Cb 0.45 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 1fif n ASN 206 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1fif n GLY 207 N 1.02 0.73 3.84 4.83 0.00 0.73 -5.07 105.19 111.27 1fif n GLY 207 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1fif n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fif s LEU 208 N 0.00 3.60 -0.01 0.99 1.43 -1.26 -4.67 118.68 118.76 1fif s LEU 208 Ca 0.00 1.58 -0.04 0.00 -1.03 0.00 0.00 54.13 54.64 1fif s LEU 208 Cb 0.00 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.67 1fif s LEU 208 CO 0.00 -0.63 0.20 0.26 0.23 0.00 0.00 176.35 176.41 1fif s TRP 209 N -2.64 3.56 0.03 0.29 0.52 0.37 -1.62 118.94 119.45 1fif s TRP 209 Ca 0.59 0.42 0.03 0.00 0.02 0.00 0.00 56.10 57.15 1fif s TRP 209 Cb -0.10 -1.87 -0.02 0.00 -1.15 0.00 0.00 33.47 30.32 1fif s TRP 209 CO 0.32 0.65 -0.08 -0.80 0.02 0.00 0.00 176.95 177.06 1fif s ASN 210 N -1.81 0.94 0.25 2.95 -0.87 -0.64 -1.47 114.94 114.29 1fif s ASN 210 Ca 0.26 -0.44 -0.02 0.00 -1.57 0.00 0.00 52.86 51.09 1fif s ASN 210 Cb -0.13 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.25 41.05 1fif s ASN 210 CO 0.17 -0.11 0.46 1.51 -2.57 0.00 0.00 177.10 176.57 1fif s ASP 211 N -1.21 6.40 0.23 -1.22 -4.77 -1.26 -1.48 116.67 113.36 1fif s ASP 211 Ca -0.05 0.51 -0.22 0.00 -3.30 0.00 0.00 52.55 49.49 1fif s ASP 211 Cb -0.08 -2.06 0.06 0.00 -1.09 0.00 0.00 42.92 39.75 1fif s ASP 211 CO 0.00 -0.12 0.91 -0.62 0.70 0.00 0.00 175.17 176.04 1fif s ASP 212 N -3.27 -0.10 0.26 2.11 -1.08 -0.12 -4.87 116.67 109.60 1fif s ASP 212 Ca 0.40 -0.66 -0.30 0.00 -0.52 0.00 0.00 52.55 51.47 1fif s ASP 212 Cb -0.11 0.60 -0.10 0.00 -1.46 0.00 0.00 42.92 41.86 1fif s ASP 212 CO 0.30 -1.15 1.36 -0.55 0.52 0.00 0.00 175.17 175.65 1fif s SER 213 N -3.10 6.76 0.27 -0.34 0.15 -1.26 -1.63 113.70 114.56 1fif s SER 213 Ca 0.15 2.59 0.23 0.00 0.70 0.00 0.00 55.95 59.62 1fif s SER 213 Cb -0.03 -2.63 1.03 0.00 -1.71 0.00 0.00 66.02 62.68 1fif s SER 213 CO 0.06 -0.60 1.69 0.00 1.20 0.00 0.00 173.24 175.59 1fif n GLN 215 N -2.24 0.12 -2.64 0.00 6.02 -1.26 -1.30 117.38 116.08 1fif n GLN 215 Ca 0.01 0.05 -0.41 0.00 -0.01 0.00 0.00 57.00 56.64 1fif n GLN 215 Cb 0.17 -1.59 -0.04 0.00 1.02 0.00 0.00 30.24 29.80 1fif n GLN 215 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1fif s ARG 216 N -3.07 4.68 0.00 -1.09 3.52 -0.79 -4.63 118.95 117.58 1fif s ARG 216 Ca 0.10 1.58 -0.30 0.00 -0.13 0.00 0.00 55.73 56.97 1fif s ARG 216 Cb 0.16 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 30.19 1fif s ARG 216 CO 0.67 0.20 1.09 -1.25 -0.81 0.00 0.00 175.30 175.20 1fif s PRO 217 N -0.36 4.47 0.18 5.12 0.04 -1.26 -4.36 135.00 138.83 1fif s PRO 217 Ca 0.47 1.57 0.01 0.00 0.04 0.00 0.00 61.00 63.10 1fif s PRO 217 Cb -0.26 -3.44 -0.05 0.00 0.04 0.00 0.00 34.50 30.79 1fif s PRO 217 CO 0.32 -0.20 0.02 0.71 0.04 0.00 0.00 177.00 177.90 1fif s TYR 218 N 1.29 1.20 0.27 0.56 1.51 -0.67 -4.66 117.35 116.85 1fif s TYR 218 Ca 0.54 -1.08 -0.30 0.00 -1.01 0.00 0.00 57.07 55.23 1fif s TYR 218 Cb -0.24 -0.69 -0.11 0.00 -0.11 0.00 0.00 41.96 40.81 1fif s TYR 218 CO 0.27 -0.28 1.57 0.99 -1.11 0.00 0.00 175.55 176.99 1fif s THR 219 N -3.73 2.22 -0.28 -0.71 2.01 -0.66 -1.50 115.64 112.98 1fif s THR 219 Ca 0.26 0.18 -0.24 0.00 0.31 0.00 0.00 61.69 62.20 1fif s THR 219 Cb 0.06 -3.11 -0.00 0.00 0.01 0.00 0.00 72.50 69.46 1fif s THR 219 CO 0.05 0.03 0.82 0.00 -0.69 0.00 0.00 174.62 174.82 1fif s ALA 220 N 0.15 3.57 -0.12 7.40 0.00 -0.30 -2.79 121.76 129.67 1fif s ALA 220 Ca 0.64 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1fif s ALA 220 Cb -0.46 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.36 1fif s ALA 220 CO 0.45 -1.12 -0.11 0.08 0.00 0.00 0.00 175.76 175.07 1fif s VAL 221 N 2.95 1.25 0.17 0.00 1.01 -1.26 -3.99 120.40 120.54 1fif s VAL 221 Ca 0.34 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.93 1fif s VAL 221 Cb -0.14 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1fif s VAL 221 CO 0.11 0.40 0.14 0.00 0.00 0.00 0.00 175.10 175.75 1fif s GLU 223 N -3.14 1.22 0.07 0.00 -1.05 0.62 -1.23 118.70 115.18 1fif s GLU 223 Ca 0.31 -1.14 0.07 0.00 -0.15 0.00 0.00 54.97 54.06 1fif s GLU 223 Cb -0.10 -1.48 -0.03 0.00 -0.44 0.00 0.00 34.13 32.08 1fif s GLU 223 CO 0.24 0.35 -0.18 -0.06 0.95 0.00 0.00 175.26 176.56 1fif s PHE 224 N -1.07 1.55 0.75 4.83 0.08 0.80 -2.26 117.98 122.66 1fif s PHE 224 Ca 0.08 -0.40 -0.15 0.00 0.12 0.00 0.00 56.93 56.57 1fif s PHE 224 Cb -0.10 -0.89 0.00 0.00 -0.57 0.00 0.00 43.02 41.47 1fif s PHE 224 CO 0.04 0.11 0.81 -0.35 -0.10 0.00 0.00 175.22 175.74 1fif n PRO 225 N 1.47 0.33 0.00 0.24 -0.04 -1.26 -1.00 135.00 134.74 1fif n PRO 225 Ca -0.19 0.17 0.07 0.00 -0.04 0.00 0.00 63.50 63.50 1fif n PRO 225 Cb 0.54 -2.09 0.39 0.00 -0.04 0.00 0.00 33.50 32.30 1fif n PRO 225 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46