#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1twh n ALA 73 N 0.00 -1.00 -3.68 0.58 0.00 -1.26 -4.78 120.51 110.36 1twh n ALA 73 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1twh n ALA 73 Cb 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 19.45 18.81 1twh n ALA 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1twh s ILE 74 N -3.59 0.16 0.36 0.00 -1.09 -1.05 -4.81 121.20 111.18 1twh s ILE 74 Ca 0.00 0.09 -0.27 0.00 -2.23 0.00 0.00 60.65 58.23 1twh s ILE 74 Cb 0.00 -0.25 -0.09 0.00 -1.58 0.00 0.00 42.46 40.54 1twh s ILE 74 CO 0.00 0.13 1.28 -2.16 -1.23 0.00 0.00 174.94 172.97 1twh s PRO 75 N 0.97 4.19 0.51 2.79 0.04 -1.26 -4.71 135.00 137.53 1twh s PRO 75 Ca -0.10 2.13 0.38 0.00 0.04 0.00 0.00 61.00 63.46 1twh s PRO 75 Cb -0.13 -2.92 1.55 0.00 0.04 0.00 0.00 34.50 33.04 1twh s PRO 75 CO -0.02 -0.30 1.68 -0.22 0.04 0.00 0.00 177.00 178.19 1twh h LYS 76 N 3.06 0.05 0.00 4.56 3.64 -1.97 -3.30 116.57 122.60 1twh h LYS 76 Ca -0.49 -0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 58.49 1twh h LYS 76 Cb 1.23 -0.01 0.11 0.00 -0.41 0.00 0.00 32.23 33.16 1twh h LYS 76 CO 0.64 0.04 0.24 -0.25 -2.27 0.00 0.00 179.45 177.84 1twh n ASP 77 N -4.26 0.65 0.00 4.20 9.92 -1.26 -3.63 116.55 122.17 1twh n ASP 77 Ca 0.35 -1.72 0.00 0.00 -0.53 0.00 0.00 54.79 52.89 1twh n ASP 77 Cb 1.53 -0.73 0.00 0.00 -0.64 0.00 0.00 41.12 41.27 1twh n ASP 77 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1twh n GLN 78 N -3.06 0.00 -1.93 -1.24 6.02 -1.26 -4.93 117.38 110.98 1twh n GLN 78 Ca 0.15 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.75 1twh n GLN 78 Cb 0.52 -4.33 0.01 0.00 1.02 0.00 0.00 30.24 27.46 1twh n GLN 78 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1twh s ARG 79 N -0.70 3.62 0.00 -1.09 0.52 -1.24 -4.91 118.95 115.16 1twh s ARG 79 Ca 0.00 2.20 0.00 0.00 -0.52 0.00 0.00 55.73 57.41 1twh s ARG 79 Cb 0.00 -2.54 0.00 0.00 0.52 0.00 0.00 34.95 32.93 1twh s ARG 79 CO 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 175.30 174.53 1twh n ALA 80 N -0.38 1.51 -1.13 2.13 0.00 -1.26 -5.03 120.51 116.35 1twh n ALA 80 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.21 1twh n ALA 80 Cb 0.44 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.05 1twh n ALA 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1twh s THR 81 N -1.45 2.40 0.66 0.00 2.01 -1.26 -4.97 115.64 113.02 1twh s THR 81 Ca 0.00 0.13 -0.16 0.00 0.31 0.00 0.00 61.69 61.97 1twh s THR 81 Cb 0.00 -2.57 -0.00 0.00 0.01 0.00 0.00 72.50 69.94 1twh s THR 81 CO 0.00 -0.17 1.14 -0.89 -0.69 0.00 0.00 174.62 174.01 1twh s THR 82 N -2.90 2.97 -0.40 -0.82 2.01 -1.26 -4.89 115.64 110.36 1twh s THR 82 Ca 0.64 0.49 0.23 0.00 0.31 0.00 0.00 61.69 63.36 1twh s THR 82 Cb -0.19 -3.04 0.19 0.00 0.01 0.00 0.00 72.50 69.48 1twh s THR 82 CO 0.58 -0.25 1.39 1.55 -0.69 0.00 0.00 174.62 177.20 1twh h PRO 83 N 0.15 0.00 -6.96 4.92 0.13 -1.98 -3.46 132.00 124.80 1twh h PRO 83 Ca -0.48 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.17 1twh h PRO 83 Cb 1.26 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.41 1twh h PRO 83 CO 0.53 0.00 0.41 0.71 -0.23 0.00 0.00 178.00 179.42 1twh s TYR 84 N -3.26 3.28 0.24 1.56 1.51 -1.26 0.13 117.35 119.55 1twh s TYR 84 Ca 0.04 1.65 -0.30 0.00 -1.01 0.00 0.00 57.07 57.45 1twh s TYR 84 Cb 0.08 -3.11 -0.10 0.00 -0.11 0.00 0.00 41.96 38.71 1twh s TYR 84 CO 0.71 -0.58 1.52 1.41 -1.11 0.00 0.00 175.55 177.50 1twh s MET 85 N -2.50 4.22 0.51 -0.62 1.75 -0.29 -4.74 119.30 117.63 1twh s MET 85 Ca 0.58 2.39 -0.17 0.00 -1.25 0.00 0.00 55.69 57.23 1twh s MET 85 Cb -0.21 -3.10 -0.08 0.00 2.84 0.00 0.00 34.83 34.28 1twh s MET 85 CO 0.27 -0.53 0.99 0.95 -0.65 0.00 0.00 175.02 176.06 1twh s THR 86 N 0.32 4.39 0.44 10.11 -4.23 -1.26 -4.69 115.64 120.72 1twh s THR 86 Ca 0.63 1.20 0.22 0.00 -1.18 0.00 0.00 61.69 62.57 1twh s THR 86 Cb -0.44 -3.65 0.42 0.00 1.34 0.00 0.00 72.50 70.18 1twh s THR 86 CO 0.41 -0.60 1.82 0.07 -0.54 0.00 0.00 174.62 175.78 1twh h LYS 87 N 1.02 0.28 -0.11 3.99 2.10 -1.95 -2.28 116.57 119.62 1twh h LYS 87 Ca -0.47 -0.02 -0.20 0.00 -2.00 0.00 0.00 60.65 57.96 1twh h LYS 87 Cb 1.19 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1twh h LYS 87 CO 0.61 0.19 -0.73 1.88 -2.00 0.00 0.00 179.45 179.39 1twh h TYR 88 N 0.29 0.75 0.34 0.07 -1.99 -1.99 0.62 116.97 115.06 1twh h TYR 88 Ca 0.53 -0.32 -0.02 0.00 2.00 0.00 0.00 58.73 60.91 1twh h TYR 88 Cb 1.53 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 40.15 1twh h TYR 88 CO -0.00 1.11 -0.17 0.93 -0.00 0.00 0.00 178.16 180.03 1twh h GLU 89 N 0.38 -0.45 -0.83 4.88 5.08 -1.81 -1.28 114.58 120.56 1twh h GLU 89 Ca -0.04 0.03 0.19 0.00 -1.00 0.00 0.00 59.36 58.54 1twh h GLU 89 Cb 1.33 0.10 -0.12 0.00 0.50 0.00 0.00 28.75 30.56 1twh h GLU 89 CO 0.14 -0.12 0.30 -0.09 -1.00 0.00 0.00 179.01 178.23 1twh h ARG 90 N -0.89 0.35 0.00 2.33 2.43 -1.45 0.37 114.38 117.53 1twh h ARG 90 Ca -0.05 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.00 1twh h ARG 90 Cb 0.53 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1twh h ARG 90 CO 0.08 0.23 -0.46 0.00 -1.51 0.00 0.00 179.97 178.30 1twh h ALA 91 N 1.66 0.92 0.22 2.80 0.00 -0.16 -1.68 119.26 123.01 1twh h ALA 91 Ca 0.49 -0.42 -0.32 0.00 0.00 0.00 0.00 54.91 54.66 1twh h ALA 91 Cb 0.88 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.62 1twh h ALA 91 CO -0.51 0.58 -1.46 -0.09 0.00 0.00 0.00 179.25 177.77 1twh h ARG 92 N 0.00 0.46 0.03 0.00 2.43 -0.06 -1.77 114.38 115.48 1twh h ARG 92 Ca -0.00 -0.78 0.01 0.00 -0.81 0.00 0.00 59.98 58.40 1twh h ARG 92 Cb 1.04 0.29 -0.04 0.00 -0.42 0.00 0.00 29.97 30.84 1twh h ARG 92 CO 0.06 1.37 -0.36 0.82 -1.51 0.00 0.00 179.97 180.35 1twh h ILE 93 N 0.04 0.00 -0.97 1.20 2.04 -0.19 0.01 117.51 119.64 1twh h ILE 93 Ca -0.27 0.00 0.25 0.00 1.00 0.00 0.00 64.86 65.84 1twh h ILE 93 Cb 2.06 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 38.07 1twh h ILE 93 CO 0.22 0.00 0.66 -0.07 0.00 0.00 0.00 178.15 178.96 1twh h LEU 94 N -0.48 0.30 0.23 1.44 3.38 -1.37 -1.94 115.31 116.88 1twh h LEU 94 Ca 0.00 0.04 -0.33 0.00 0.09 0.00 0.00 57.88 57.68 1twh h LEU 94 Cb 0.50 -0.01 0.04 0.00 0.09 0.00 0.00 40.66 41.28 1twh h LEU 94 CO -0.22 0.09 -1.44 1.23 0.09 0.00 0.00 178.44 178.19 1twh h GLY 95 N 0.28 0.65 0.68 0.83 0.00 -0.90 -1.03 103.07 103.58 1twh h GLY 95 Ca 0.51 -1.58 0.04 0.00 0.00 0.00 0.00 47.33 46.29 1twh h GLY 95 CO -0.16 1.39 0.03 -0.84 0.00 0.00 0.00 176.54 176.96 1twh h THR 96 N 0.17 0.86 -0.25 4.70 2.02 -0.31 -1.63 112.91 118.48 1twh h THR 96 Ca -0.25 -0.04 -0.09 0.00 0.77 0.00 0.00 66.41 66.80 1twh h THR 96 Cb 2.13 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 1twh h THR 96 CO 0.27 0.02 -0.24 -0.09 0.37 0.00 0.00 175.52 175.85 1twh h ARG 97 N 0.12 0.46 -0.15 6.66 9.65 -1.43 -2.14 114.38 127.56 1twh h ARG 97 Ca 0.11 -0.17 -0.13 0.00 -1.10 0.00 0.00 59.98 58.69 1twh h ARG 97 Cb 0.13 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 1twh h ARG 97 CO -0.17 0.68 -0.47 0.00 2.80 0.00 0.00 179.97 182.81 1twh h ALA 98 N 1.33 0.92 -0.63 2.80 0.00 -0.79 -2.22 119.26 120.67 1twh h ALA 98 Ca 0.06 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1twh h ALA 98 Cb 0.65 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1twh h ALA 98 CO 0.05 0.65 0.40 1.25 0.00 0.00 0.00 179.25 181.60 1twh h LEU 99 N 0.30 0.74 0.20 0.00 5.85 -0.68 -0.65 115.31 121.06 1twh h LEU 99 Ca 0.02 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1twh h LEU 99 Cb 0.94 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1twh h LEU 99 CO 0.08 0.55 -0.10 1.56 -0.34 0.00 0.00 178.44 180.20 1twh h GLN 100 N 0.85 -0.26 -1.51 1.25 4.20 -1.23 -1.62 115.11 116.79 1twh h GLN 100 Ca 0.23 0.02 0.48 0.00 0.06 0.00 0.00 58.65 59.43 1twh h GLN 100 Cb -0.06 0.06 -0.11 0.00 0.30 0.00 0.00 27.48 27.66 1twh h GLN 100 CO -0.05 0.08 1.02 0.82 -0.67 0.00 0.00 178.83 180.04 1twh h ILE 101 N -0.64 0.09 0.00 2.54 2.04 -1.39 -0.86 117.51 119.29 1twh h ILE 101 Ca -0.03 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 1twh h ILE 101 Cb 0.46 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1twh h ILE 101 CO 0.05 0.01 -0.33 0.77 0.00 0.00 0.00 178.15 178.64 1twh h SER 102 N 0.04 0.00 -1.06 1.72 4.64 -0.16 -2.65 113.55 116.07 1twh h SER 102 Ca 0.85 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 61.49 1twh h SER 102 Cb 2.94 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 64.73 1twh h SER 102 CO -0.28 0.33 0.83 0.23 -0.87 0.00 0.00 176.83 177.06 1twh n MET 103 N -3.62 2.73 -3.46 4.77 2.81 -0.35 -4.96 117.12 115.05 1twh n MET 103 Ca -0.01 -3.34 -0.25 0.00 -1.81 0.00 0.00 57.70 52.29 1twh n MET 103 Cb 0.45 -2.29 0.01 0.00 -0.71 0.00 0.00 33.22 30.68 1twh n MET 103 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1twh n ASN 104 N -0.88 -4.21 -4.87 7.83 3.02 -1.00 -4.94 115.26 110.20 1twh n ASN 104 Ca 0.62 -0.48 -0.31 0.00 -0.03 0.00 0.00 54.58 54.37 1twh n ASN 104 Cb 0.64 -3.44 -0.05 0.00 -0.61 0.00 0.00 39.78 36.32 1twh n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1twh s ALA 105 N -3.05 3.46 0.63 5.41 0.00 -1.08 -4.99 121.76 122.14 1twh s ALA 105 Ca 0.45 -0.21 -0.17 0.00 0.00 0.00 0.00 51.96 52.04 1twh s ALA 105 Cb -0.23 -2.57 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 1twh s ALA 105 CO 0.56 0.31 1.16 -1.25 0.00 0.00 0.00 175.76 176.54 1twh s PRO 106 N -3.18 2.84 0.34 0.00 0.04 -1.26 -4.57 135.00 129.21 1twh s PRO 106 Ca 0.50 1.62 0.08 0.00 0.04 0.00 0.00 61.00 63.23 1twh s PRO 106 Cb -0.11 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 1twh s PRO 106 CO 0.23 -1.26 0.21 0.08 0.04 0.00 0.00 177.00 176.31 1twh s VAL 107 N -1.96 3.28 -0.09 -0.36 1.01 -1.26 -4.91 120.40 116.11 1twh s VAL 107 Ca 0.72 -1.54 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1twh s VAL 107 Cb -0.25 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.06 1twh s VAL 107 CO 0.37 -0.18 0.70 0.49 0.00 0.00 0.00 175.10 176.48 1twh n PHE 108 N -1.25 0.01 -4.41 5.22 3.01 -1.26 -5.01 117.46 113.76 1twh n PHE 108 Ca -0.03 -0.18 -0.21 0.00 1.01 0.00 0.00 57.45 58.04 1twh n PHE 108 Cb 0.60 -0.02 -0.10 0.00 -0.01 0.00 0.00 39.48 39.96 1twh n PHE 108 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1twh s VAL 109 N -0.41 1.85 -0.07 -4.37 1.01 -1.26 -5.06 120.40 112.10 1twh s VAL 109 Ca 0.01 -2.21 -0.30 0.00 0.00 0.00 0.00 61.98 59.49 1twh s VAL 109 Cb 0.01 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 1twh s VAL 109 CO 0.01 -0.42 1.51 -0.62 0.00 0.00 0.00 175.10 175.58 1twh s ASP 110 N -3.42 6.77 -1.19 3.32 -1.08 -1.26 -4.87 116.67 114.93 1twh s ASP 110 Ca 0.27 2.09 -0.22 0.00 -0.52 0.00 0.00 52.55 54.17 1twh s ASP 110 Cb 0.01 -2.54 -0.06 0.00 -1.46 0.00 0.00 42.92 38.87 1twh s ASP 110 CO 0.11 -0.85 1.90 -0.76 0.52 0.00 0.00 175.17 176.09 1twh s LEU 111 N 3.57 3.18 -0.14 -1.34 1.02 -1.26 -4.75 118.68 118.96 1twh s LEU 111 Ca 0.67 -1.74 -0.02 0.00 0.02 0.00 0.00 54.13 53.05 1twh s LEU 111 Cb -0.30 -2.59 -0.07 0.00 0.02 0.00 0.00 46.19 43.25 1twh s LEU 111 CO 0.25 -2.76 1.55 -0.62 0.02 0.00 0.00 176.35 174.79 1twh n GLU 112 N 8.33 0.79 0.00 1.70 1.02 -1.26 -3.67 120.64 127.55 1twh n GLU 112 Ca 0.45 -0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1twh n GLU 112 Cb 0.47 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1twh n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1twh n GLY 113 N 3.11 2.25 3.76 0.62 0.00 -1.26 -5.13 105.19 108.54 1twh n GLY 113 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1twh n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1twh s GLU 114 N -0.77 3.41 -0.00 1.61 0.41 -1.24 -4.93 118.70 117.19 1twh s GLU 114 Ca 0.00 1.86 0.04 0.00 -0.41 0.00 0.00 54.97 56.46 1twh s GLU 114 Cb 0.00 -2.22 -0.05 0.00 -1.78 0.00 0.00 34.13 30.08 1twh s GLU 114 CO 0.00 -0.86 0.17 0.25 -0.49 0.00 0.00 175.26 174.32 1twh n THR 115 N -0.93 0.00 -3.37 3.63 -2.24 -1.26 -4.99 114.28 105.12 1twh n THR 115 Ca 0.10 -0.35 -0.39 0.00 -2.27 0.00 0.00 64.05 61.14 1twh n THR 115 Cb 0.48 0.90 -0.09 0.00 -2.10 0.00 0.00 70.33 69.52 1twh n THR 115 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1twh s ASP 116 N -1.59 6.29 0.19 3.42 -1.08 -1.26 -5.02 116.67 117.62 1twh s ASP 116 Ca 0.01 0.33 -0.13 0.00 -0.52 0.00 0.00 52.55 52.25 1twh s ASP 116 Cb 0.03 -2.22 0.20 0.00 -1.46 0.00 0.00 42.92 39.47 1twh s ASP 116 CO 0.17 -0.19 1.70 -0.65 0.52 0.00 0.00 175.17 176.72 1twh h PRO 117 N 8.12 0.19 -0.45 4.34 0.11 -1.94 -2.03 132.00 140.33 1twh h PRO 117 Ca -0.31 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.83 1twh h PRO 117 Cb 1.16 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 1twh h PRO 117 CO 0.66 0.13 0.20 1.25 -0.21 0.00 0.00 178.00 180.02 1twh h LEU 118 N 0.20 0.26 -1.60 2.35 5.85 -1.89 0.85 115.31 121.33 1twh h LEU 118 Ca 0.26 0.04 0.06 0.00 0.84 0.00 0.00 57.88 59.07 1twh h LEU 118 Cb 0.36 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1twh h LEU 118 CO -0.36 0.19 0.36 0.03 -0.34 0.00 0.00 178.44 178.31 1twh h ARG 119 N 0.40 0.47 -0.11 1.25 3.08 -1.85 0.14 114.38 117.76 1twh h ARG 119 Ca 0.21 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 60.03 1twh h ARG 119 Cb 0.15 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1twh h ARG 119 CO -0.17 0.31 -0.74 0.82 -1.07 0.00 0.00 179.97 179.12 1twh h ILE 120 N 0.49 1.33 -0.12 2.04 1.08 -0.47 -2.34 117.51 119.52 1twh h ILE 120 Ca 0.23 -2.06 -0.06 0.00 -0.39 0.00 0.00 64.86 62.58 1twh h ILE 120 Cb 0.30 2.04 -0.01 0.00 -3.07 0.00 0.00 36.82 36.08 1twh h ILE 120 CO -0.06 0.63 -0.21 0.00 -0.69 0.00 0.00 178.15 177.82 1twh h ALA 121 N 0.78 1.41 0.03 1.87 0.00 0.15 0.20 119.26 123.70 1twh h ALA 121 Ca -0.04 -0.26 -0.22 0.00 0.00 0.00 0.00 54.91 54.39 1twh h ALA 121 Cb 1.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1twh h ALA 121 CO 0.14 0.41 -1.03 0.52 0.00 0.00 0.00 179.25 179.29 1twh h MET 122 N 0.19 0.07 -0.03 0.00 2.86 -1.02 -2.11 114.93 114.90 1twh h MET 122 Ca 0.03 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1twh h MET 122 Cb 0.49 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 1twh h MET 122 CO 0.03 1.03 0.01 -0.22 1.06 0.00 0.00 176.91 178.82 1twh h LYS 123 N 0.02 0.04 -1.05 1.72 3.64 -0.47 -2.03 116.57 118.44 1twh h LYS 123 Ca -0.04 -0.01 0.30 0.00 -1.27 0.00 0.00 60.65 59.64 1twh h LYS 123 Cb 1.76 -0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 33.45 1twh h LYS 123 CO 0.14 0.16 0.63 0.93 -2.27 0.00 0.00 179.45 179.05 1twh h GLU 124 N -0.09 0.37 0.08 1.90 5.08 -0.27 -0.94 114.58 120.70 1twh h GLU 124 Ca 0.01 -0.02 -0.31 0.00 -1.00 0.00 0.00 59.36 58.04 1twh h GLU 124 Cb 0.14 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1twh h GLU 124 CO -0.00 0.24 -1.64 1.25 -1.00 0.00 0.00 179.01 177.87 1twh h LEU 125 N 0.38 0.25 -0.88 1.33 5.85 -1.30 -0.37 115.31 120.56 1twh h LEU 125 Ca 0.69 -0.42 -0.12 0.00 0.84 0.00 0.00 57.88 58.87 1twh h LEU 125 Cb 1.63 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.56 1twh h LEU 125 CO -0.48 1.36 -0.52 0.00 -0.34 0.00 0.00 178.44 178.46 1twh h ALA 126 N 0.60 1.06 -0.19 1.25 0.00 -0.89 -1.61 119.26 119.49 1twh h ALA 126 Ca -0.27 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1twh h ALA 126 Cb 2.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1twh h ALA 126 CO 0.12 0.66 0.00 0.39 0.00 0.00 0.00 179.25 180.43 1twh n GLU 127 N -3.92 1.81 -2.10 0.00 1.02 -0.40 -4.82 120.64 112.23 1twh n GLU 127 Ca -0.02 -1.22 -0.15 0.00 -0.02 0.00 0.00 57.16 55.76 1twh n GLU 127 Cb 0.55 -1.41 -0.02 0.00 -0.02 0.00 0.00 31.44 30.54 1twh n GLU 127 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1twh n LYS 128 N 0.44 -1.15 -1.23 3.49 4.76 -0.44 -4.88 118.16 119.16 1twh n LYS 128 Ca 0.16 0.78 -0.27 0.00 -2.87 0.00 0.00 58.31 56.12 1twh n LYS 128 Cb 0.36 -5.06 0.14 0.00 -1.84 0.00 0.00 35.03 28.63 1twh n LYS 128 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1twh n LYS 129 N -2.45 2.35 -3.55 1.97 4.76 -0.28 -4.79 118.16 116.18 1twh n LYS 129 Ca -0.17 -3.02 -0.41 0.00 -2.87 0.00 0.00 58.31 51.84 1twh n LYS 129 Cb 0.60 -2.18 -0.11 0.00 -1.84 0.00 0.00 35.03 31.50 1twh n LYS 129 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1twh s ILE 130 N -3.69 4.79 -1.30 -0.18 1.01 -1.25 -4.88 121.20 115.69 1twh s ILE 130 Ca 0.58 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 60.26 1twh s ILE 130 Cb 0.48 -3.70 0.14 0.00 0.01 0.00 0.00 42.46 39.39 1twh s ILE 130 CO 0.07 -0.30 1.86 -0.81 0.00 0.00 0.00 174.94 175.76 1twh n PRO 131 N 5.05 3.41 -4.28 2.79 -0.04 -1.26 -4.30 135.00 136.37 1twh n PRO 131 Ca -0.11 -3.39 -0.15 0.00 -0.04 0.00 0.00 63.50 59.80 1twh n PRO 131 Cb 0.46 -3.05 -0.10 0.00 -0.04 0.00 0.00 33.50 30.77 1twh n PRO 131 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1twh s LEU 132 N 0.84 2.39 0.05 1.53 1.43 -1.26 -5.04 118.68 118.63 1twh s LEU 132 Ca 0.42 -1.09 0.07 0.00 -1.03 0.00 0.00 54.13 52.50 1twh s LEU 132 Cb 0.08 -0.32 -0.03 0.00 0.03 0.00 0.00 46.19 45.95 1twh s LEU 132 CO -0.01 -0.40 -0.21 -0.69 0.23 0.00 0.00 176.35 175.28 1twh s VAL 133 N -3.36 1.66 -0.32 -1.59 1.01 -1.26 -1.14 120.40 115.41 1twh s VAL 133 Ca 0.21 -1.26 -0.10 0.00 0.00 0.00 0.00 61.98 60.84 1twh s VAL 133 Cb 0.04 -1.46 -0.00 0.00 0.00 0.00 0.00 36.38 34.95 1twh s VAL 133 CO 0.04 0.15 0.16 -0.63 0.00 0.00 0.00 175.10 174.81 1twh s ILE 134 N -0.87 4.59 -0.33 2.22 1.01 0.02 -4.97 121.20 122.86 1twh s ILE 134 Ca 0.07 -0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.12 1twh s ILE 134 Cb -0.09 -3.36 -0.02 0.00 0.01 0.00 0.00 42.46 39.00 1twh s ILE 134 CO 0.02 0.04 0.31 -0.60 0.00 0.00 0.00 174.94 174.71 1twh s ARG 135 N 1.61 3.59 -0.41 2.79 3.52 -1.26 -1.76 118.95 127.03 1twh s ARG 135 Ca 0.04 -0.47 -0.22 0.00 -0.13 0.00 0.00 55.73 54.95 1twh s ARG 135 Cb -0.17 -3.79 0.02 0.00 -1.56 0.00 0.00 34.95 29.45 1twh s ARG 135 CO 0.06 -0.46 0.74 1.03 -0.81 0.00 0.00 175.30 175.87 1twh s ARG 136 N 1.90 3.51 0.14 5.12 0.52 -0.75 -4.91 118.95 124.48 1twh s ARG 136 Ca 0.10 -0.02 -0.27 0.00 -0.52 0.00 0.00 55.73 55.02 1twh s ARG 136 Cb -0.17 -3.89 -0.07 0.00 0.52 0.00 0.00 34.95 31.34 1twh s ARG 136 CO 0.11 -0.98 0.83 0.71 0.02 0.00 0.00 175.30 175.99 1twh s TYR 137 N 3.09 3.87 0.74 -0.53 1.51 -1.26 -1.70 117.35 123.07 1twh s TYR 137 Ca 0.28 1.67 -0.11 0.00 -1.01 0.00 0.00 57.07 57.91 1twh s TYR 137 Cb -0.13 -2.86 0.04 0.00 -0.11 0.00 0.00 41.96 38.91 1twh s TYR 137 CO 0.20 0.40 1.11 -0.51 -1.11 0.00 0.00 175.55 175.64 1twh s LEU 138 N -0.73 2.76 0.39 -1.29 1.43 0.04 -4.95 118.68 116.34 1twh s LEU 138 Ca 0.39 0.89 0.12 0.00 -1.03 0.00 0.00 54.13 54.49 1twh s LEU 138 Cb -0.23 -3.55 0.80 0.00 0.03 0.00 0.00 46.19 43.24 1twh s LEU 138 CO 0.27 -1.57 1.89 -0.65 0.23 0.00 0.00 176.35 176.52 1twh h PRO 139 N -0.77 0.10 -0.15 1.29 0.11 -1.98 -3.21 132.00 127.39 1twh h PRO 139 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1twh h PRO 139 Cb 1.29 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1twh h PRO 139 CO 0.64 0.34 0.00 -0.40 -0.21 0.00 0.00 178.00 178.37 1twh n ASP 140 N -4.22 0.15 0.00 -2.05 5.68 -1.26 -4.86 116.55 109.99 1twh n ASP 140 Ca -0.02 -1.47 0.00 0.00 -0.50 0.00 0.00 54.79 52.80 1twh n ASP 140 Cb 0.32 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 1twh n ASP 140 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1twh n GLY 141 N 0.22 3.25 3.86 6.12 0.00 -1.21 -5.04 105.19 112.38 1twh n GLY 141 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1twh n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1twh s SER 142 N -0.23 6.02 0.05 1.61 1.04 -1.26 -3.79 113.70 117.14 1twh s SER 142 Ca 0.00 1.48 -0.04 0.00 0.48 0.00 0.00 55.95 57.87 1twh s SER 142 Cb 0.00 -2.48 -0.02 0.00 0.10 0.00 0.00 66.02 63.62 1twh s SER 142 CO 0.00 -1.01 0.05 0.72 0.98 0.00 0.00 173.24 173.98 1twh s PHE 143 N -3.12 0.35 0.06 5.02 -0.12 -1.26 -0.78 117.98 118.12 1twh s PHE 143 Ca 0.56 -0.79 0.07 0.00 -0.05 0.00 0.00 56.93 56.71 1twh s PHE 143 Cb -0.12 -0.25 -0.03 0.00 -0.63 0.00 0.00 43.02 42.00 1twh s PHE 143 CO 0.53 -0.40 -0.18 -1.21 -0.05 0.00 0.00 175.22 173.92 1twh s GLU 144 N -3.40 1.13 -0.18 1.99 2.02 -0.69 -2.52 118.70 117.05 1twh s GLU 144 Ca 0.02 -0.93 -0.03 0.00 0.02 0.00 0.00 54.97 54.05 1twh s GLU 144 Cb 0.04 -1.24 -0.01 0.00 0.10 0.00 0.00 34.13 33.02 1twh s GLU 144 CO -0.08 0.30 -0.07 -0.51 0.02 0.00 0.00 175.26 174.92 1twh s ASP 145 N -1.38 4.26 -0.09 -0.19 1.01 -1.26 -1.81 116.67 117.21 1twh s ASP 145 Ca 0.04 -0.34 0.04 0.00 0.71 0.00 0.00 52.55 53.01 1twh s ASP 145 Cb -0.09 -1.70 -0.01 0.00 1.01 0.00 0.00 42.92 42.13 1twh s ASP 145 CO 0.02 0.07 -0.21 0.26 0.21 0.00 0.00 175.17 175.52 1twh s TRP 146 N 0.94 2.59 0.31 4.23 0.52 -0.72 -4.95 118.94 121.86 1twh s TRP 146 Ca -0.01 -0.83 -0.10 0.00 0.02 0.00 0.00 56.10 55.18 1twh s TRP 146 Cb -0.15 -1.71 -0.07 0.00 -1.15 0.00 0.00 33.47 30.40 1twh s TRP 146 CO 0.00 -0.29 0.65 -1.54 0.02 0.00 0.00 176.95 175.80 1twh s SER 147 N 0.15 6.60 0.19 2.95 1.04 -1.26 -0.80 113.70 122.57 1twh s SER 147 Ca -0.12 1.02 -0.11 0.00 0.48 0.00 0.00 55.95 57.22 1twh s SER 147 Cb -0.16 -2.27 0.20 0.00 0.10 0.00 0.00 66.02 63.89 1twh s SER 147 CO 0.06 -0.21 1.77 0.58 0.98 0.00 0.00 173.24 176.42 1twh h VAL 148 N 1.62 0.89 -1.07 5.02 2.07 -1.38 -0.16 116.25 123.24 1twh h VAL 148 Ca -0.47 -0.17 0.32 0.00 0.82 0.00 0.00 66.70 67.20 1twh h VAL 148 Cb 1.18 0.36 -0.13 0.00 -1.52 0.00 0.00 31.29 31.18 1twh h VAL 148 CO 0.66 0.09 0.65 -0.33 0.02 0.00 0.00 177.57 178.66 1twh h GLU 149 N 0.49 0.31 0.00 1.57 5.08 -1.78 -2.25 114.58 118.00 1twh h GLU 149 Ca 0.26 -0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 58.37 1twh h GLU 149 Cb 0.23 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1twh h GLU 149 CO -0.21 0.21 -1.44 1.49 -1.00 0.00 0.00 179.01 178.05 1twh h GLU 150 N 0.32 0.00 -6.55 2.33 4.81 -1.44 -3.47 114.58 110.58 1twh h GLU 150 Ca 0.71 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 59.41 1twh h GLU 150 Cb 1.77 0.00 0.03 0.00 0.63 0.00 0.00 28.75 31.18 1twh h GLU 150 CO -0.49 0.53 0.82 -0.51 -0.73 0.00 0.00 179.01 178.64 1twh s LEU 151 N -6.15 4.37 0.07 1.64 1.43 -0.74 -4.99 118.68 114.30 1twh s LEU 151 Ca -0.03 2.45 -0.30 0.00 -1.03 0.00 0.00 54.13 55.22 1twh s LEU 151 Cb 0.08 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.66 1twh s LEU 151 CO 0.82 -0.75 1.17 -0.63 0.23 0.00 0.00 176.35 177.19 1twh s ILE 152 N 1.35 4.09 -0.59 -0.59 1.09 0.34 -4.62 121.20 122.26 1twh s ILE 152 Ca 0.68 1.52 -0.12 0.00 -1.10 0.00 0.00 60.65 61.62 1twh s ILE 152 Cb -0.40 -3.97 0.15 0.00 -1.06 0.00 0.00 42.46 37.18 1twh s ILE 152 CO 0.31 0.13 0.51 -0.69 -0.10 0.00 0.00 174.94 175.09 1twh s VAL 153 N 0.95 4.87 -0.05 2.92 1.01 -1.26 -1.13 120.40 127.70 1twh s VAL 153 Ca 0.57 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.62 1twh s VAL 153 Cb -0.29 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1twh s VAL 153 CO 0.30 -0.88 0.51 -0.67 0.00 0.00 0.00 175.10 174.36