#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m4o n ALA 73 N 0.00 0.00 0.00 7.82 0.00 -1.26 -5.11 120.51 121.96 3m4o n ALA 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3m4o n ALA 73 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3m4o n ALA 73 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3m4o n ILE 74 N 0.00 0.00 -0.57 0.00 2.08 -1.26 -3.92 119.36 115.69 3m4o n ILE 74 Ca 0.00 0.00 -0.28 0.00 0.56 0.00 0.00 62.75 63.03 3m4o n ILE 74 Cb 0.00 0.00 0.25 0.00 -0.75 0.00 0.00 39.64 39.14 3m4o n ILE 74 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3m4o s PRO 75 N -0.17 -0.87 0.00 0.38 0.04 -1.26 -4.81 135.00 128.32 3m4o s PRO 75 Ca 0.00 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.88 3m4o s PRO 75 Cb 0.00 -1.56 0.02 0.00 0.04 0.00 0.00 34.50 33.00 3m4o s PRO 75 CO 0.00 -3.69 0.96 1.17 0.04 0.00 0.00 177.00 175.48 3m4o n LYS 76 N -4.89 0.00 -4.47 4.56 4.81 -1.26 -4.50 118.16 112.41 3m4o n LYS 76 Ca 0.03 0.44 -0.24 0.00 -0.87 0.00 0.00 58.31 57.67 3m4o n LYS 76 Cb 0.54 -1.50 -0.10 0.00 0.02 0.00 0.00 35.03 34.00 3m4o n LYS 76 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3m4o s ASP 77 N -2.89 3.74 -0.58 3.14 1.01 -1.26 -4.84 116.67 114.99 3m4o s ASP 77 Ca 0.00 -1.04 -0.02 0.00 0.71 0.00 0.00 52.55 52.20 3m4o s ASP 77 Cb 0.00 -0.37 -0.02 0.00 1.01 0.00 0.00 42.92 43.54 3m4o s ASP 77 CO 0.01 -0.05 0.53 0.00 0.21 0.00 0.00 175.17 175.87 3m4o n GLN 78 N -0.71 -1.14 -3.93 8.23 6.02 -1.26 -5.06 117.38 119.53 3m4o n GLN 78 Ca -0.05 0.91 -0.26 0.00 -0.01 0.00 0.00 57.00 57.59 3m4o n GLN 78 Cb 0.61 -4.34 -0.17 0.00 1.02 0.00 0.00 30.24 27.36 3m4o n GLN 78 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3m4o s ARG 79 N -3.40 1.42 0.24 -1.09 0.52 -1.26 -4.89 118.95 110.48 3m4o s ARG 79 Ca 0.13 -0.22 0.20 0.00 -0.52 0.00 0.00 55.73 55.32 3m4o s ARG 79 Cb -0.02 -1.49 0.06 0.00 0.52 0.00 0.00 34.95 34.02 3m4o s ARG 79 CO 0.49 -0.25 1.19 0.00 0.02 0.00 0.00 175.30 176.76 3m4o h ALA 80 N 8.11 0.68 -2.66 2.13 0.00 -2.01 -3.48 119.26 122.03 3m4o h ALA 80 Ca -0.29 -0.28 -0.52 0.00 0.00 0.00 0.00 54.91 53.82 3m4o h ALA 80 Cb 1.13 0.05 0.06 0.00 0.00 0.00 0.00 17.79 19.03 3m4o h ALA 80 CO 0.39 0.33 0.99 0.99 0.00 0.00 0.00 179.25 181.95 3m4o s THR 81 N -3.15 2.10 -0.11 0.00 2.01 -1.26 -4.83 115.64 110.39 3m4o s THR 81 Ca 0.01 0.07 -0.37 0.00 0.31 0.00 0.00 61.69 61.72 3m4o s THR 81 Cb 0.08 -3.05 -0.14 0.00 0.01 0.00 0.00 72.50 69.40 3m4o s THR 81 CO 0.76 0.01 1.72 0.41 -0.69 0.00 0.00 174.62 176.83 3m4o n THR 82 N 3.86 0.33 1.09 -0.82 -1.04 -1.26 -4.81 114.28 111.63 3m4o n THR 82 Ca 0.15 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3m4o n THR 82 Cb 0.36 -1.45 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 3m4o n THR 82 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3m4o n PRO 83 N 5.25 0.82 -4.20 -2.82 -0.04 -1.26 -4.67 135.00 128.07 3m4o n PRO 83 Ca 0.23 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.33 3m4o n PRO 83 Cb 0.22 -1.28 -0.08 0.00 -0.04 0.00 0.00 33.50 32.32 3m4o n PRO 83 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3m4o s TYR 84 N -1.33 3.31 -0.19 0.54 1.51 -1.26 -1.34 117.35 118.59 3m4o s TYR 84 Ca 0.00 0.31 -0.29 0.00 -1.01 0.00 0.00 57.07 56.08 3m4o s TYR 84 Cb 0.00 -1.84 0.00 0.00 -0.11 0.00 0.00 41.96 40.01 3m4o s TYR 84 CO 0.00 0.56 1.05 1.41 -1.11 0.00 0.00 175.55 177.46 3m4o s MET 85 N -0.96 4.30 0.38 -0.62 1.75 -0.41 -4.86 119.30 118.88 3m4o s MET 85 Ca 0.14 1.39 -0.26 0.00 -1.25 0.00 0.00 55.69 55.71 3m4o s MET 85 Cb -0.12 -3.62 -0.09 0.00 2.84 0.00 0.00 34.83 33.84 3m4o s MET 85 CO 0.03 -0.56 1.25 0.95 -0.65 0.00 0.00 175.02 176.05 3m4o s THR 86 N 2.91 2.84 0.28 10.11 -4.23 -1.26 -4.82 115.64 121.47 3m4o s THR 86 Ca 0.46 0.76 0.02 0.00 -1.18 0.00 0.00 61.69 61.74 3m4o s THR 86 Cb -0.16 -3.45 0.28 0.00 1.34 0.00 0.00 72.50 70.51 3m4o s THR 86 CO 0.10 0.12 1.82 0.07 -0.54 0.00 0.00 174.62 176.18 3m4o h LYS 87 N 2.86 0.90 -0.32 3.99 2.10 -1.99 0.32 116.57 124.42 3m4o h LYS 87 Ca -0.49 -0.05 0.02 0.00 -2.00 0.00 0.00 60.65 58.13 3m4o h LYS 87 Cb 1.24 -0.20 -0.03 0.00 -0.90 0.00 0.00 32.23 32.34 3m4o h LYS 87 CO 0.63 0.59 0.15 1.88 -2.00 0.00 0.00 179.45 180.71 3m4o h TYR 88 N 0.92 0.28 0.24 0.07 -1.99 -1.98 0.54 116.97 115.06 3m4o h TYR 88 Ca 0.50 0.01 0.01 0.00 2.00 0.00 0.00 58.73 61.25 3m4o h TYR 88 Cb 0.56 -0.08 -0.04 0.00 2.00 0.00 0.00 36.73 39.17 3m4o h TYR 88 CO -0.01 0.15 -0.50 0.93 -0.00 0.00 0.00 178.16 178.73 3m4o h GLU 89 N 0.32 -0.78 -0.08 4.88 5.08 -0.80 -1.31 114.58 121.88 3m4o h GLU 89 Ca 0.13 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.58 3m4o h GLU 89 Cb 0.05 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 3m4o h GLU 89 CO -0.10 -0.52 -0.16 -0.09 -1.00 0.00 0.00 179.01 177.15 3m4o h ARG 90 N -0.81 -0.21 -0.65 2.33 2.43 -0.80 0.64 114.38 117.31 3m4o h ARG 90 Ca -0.02 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.31 3m4o h ARG 90 Cb 0.78 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.34 3m4o h ARG 90 CO -0.21 -0.14 0.44 0.00 -1.51 0.00 0.00 179.97 178.55 3m4o h ALA 91 N 0.79 2.24 0.00 2.80 0.00 0.22 0.58 119.26 125.88 3m4o h ALA 91 Ca 0.08 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3m4o h ALA 91 Cb 0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3m4o h ALA 91 CO -0.21 -0.41 -1.03 -0.09 0.00 0.00 0.00 179.25 177.51 3m4o h ARG 92 N 0.26 0.00 0.18 0.00 2.43 -0.52 -2.37 114.38 114.36 3m4o h ARG 92 Ca 0.31 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 3m4o h ARG 92 Cb 0.85 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 3m4o h ARG 92 CO -0.07 0.35 -0.09 0.82 -1.51 0.00 0.00 179.97 179.47 3m4o h ILE 93 N 0.00 0.59 -1.14 1.20 5.03 0.15 -1.09 117.51 122.25 3m4o h ILE 93 Ca -0.09 -1.09 0.33 0.00 -0.12 0.00 0.00 64.86 63.90 3m4o h ILE 93 Cb 1.46 1.03 -0.11 0.00 -3.03 0.00 0.00 36.82 36.17 3m4o h ILE 93 CO 0.05 0.17 0.73 -0.07 -0.68 0.00 0.00 178.15 178.34 3m4o h LEU 94 N -0.96 0.37 0.20 1.44 3.38 -0.09 0.39 115.31 120.05 3m4o h LEU 94 Ca -0.02 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3m4o h LEU 94 Cb 0.45 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3m4o h LEU 94 CO 0.04 -0.03 -0.10 1.23 0.09 0.00 0.00 178.44 179.68 3m4o h GLY 95 N 0.27 -0.28 1.05 0.83 0.00 -1.47 -0.90 103.07 102.58 3m4o h GLY 95 Ca 0.68 0.10 0.03 0.00 0.00 0.00 0.00 47.33 48.15 3m4o h GLY 95 CO -0.36 -0.10 0.55 -0.84 0.00 0.00 0.00 176.54 175.79 3m4o h THR 96 N -0.83 1.14 -0.14 4.70 2.02 0.32 0.99 112.91 121.11 3m4o h THR 96 Ca -0.03 -0.36 -0.09 0.00 0.77 0.00 0.00 66.41 66.70 3m4o h THR 96 Cb 0.52 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 3m4o h THR 96 CO 0.05 0.19 -0.27 -0.09 0.37 0.00 0.00 175.52 175.76 3m4o h ARG 97 N 1.05 0.43 0.00 6.66 1.12 -0.42 -2.60 114.38 120.62 3m4o h ARG 97 Ca 0.33 -0.28 -0.01 0.00 -1.11 0.00 0.00 59.98 58.92 3m4o h ARG 97 Cb 0.03 0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 30.02 3m4o h ARG 97 CO -0.10 0.88 -0.03 0.00 -3.11 0.00 0.00 179.97 177.61 3m4o h ALA 98 N 0.55 1.41 -0.56 2.80 0.00 0.78 0.11 119.26 124.36 3m4o h ALA 98 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3m4o h ALA 98 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3m4o h ALA 98 CO 0.06 0.04 0.00 -0.11 0.00 0.00 0.00 179.25 179.24 3m4o n LEU 99 N -3.73 0.20 -0.36 0.00 -0.00 0.31 -2.93 117.00 110.49 3m4o n LEU 99 Ca -0.03 0.73 0.07 0.00 -0.00 0.00 0.00 56.01 56.78 3m4o n LEU 99 Cb 0.13 -0.41 0.15 0.00 -0.00 0.00 0.00 43.42 43.29 3m4o n LEU 99 CO 0.28 -0.41 0.67 1.56 -0.00 0.00 0.00 177.39 179.49 3m4o h GLN 100 N 0.00 0.00 -0.21 1.96 4.20 -0.93 0.59 115.11 120.72 3m4o h GLN 100 Ca 0.00 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 3m4o h GLN 100 Cb 0.00 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 3m4o h GLN 100 CO 0.00 0.00 -0.01 0.82 -0.67 0.00 0.00 178.83 178.97 3m4o h ILE 101 N 0.00 0.84 0.00 2.54 2.04 -0.96 -2.51 117.51 119.45 3m4o h ILE 101 Ca 0.49 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 66.33 3m4o h ILE 101 Cb 0.77 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3m4o h ILE 101 CO -1.02 0.01 -0.00 0.77 0.00 0.00 0.00 178.15 177.90 3m4o h SER 102 N 0.05 0.00 -0.93 1.72 4.64 -0.76 -0.53 113.55 117.74 3m4o h SER 102 Ca 0.10 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.81 3m4o h SER 102 Cb 0.13 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 61.95 3m4o h SER 102 CO -0.18 0.00 0.79 0.23 -0.87 0.00 0.00 176.83 176.81 3m4o n MET 103 N -3.13 2.51 -4.18 4.77 2.81 -0.98 -4.93 117.12 113.99 3m4o n MET 103 Ca -0.02 -3.01 -0.32 0.00 -1.81 0.00 0.00 57.70 52.53 3m4o n MET 103 Cb 0.12 -2.18 -0.08 0.00 -0.71 0.00 0.00 33.22 30.37 3m4o n MET 103 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3m4o n ASN 104 N -0.78 -0.04 -4.82 7.83 6.94 -0.21 -4.98 115.26 119.20 3m4o n ASN 104 Ca 0.58 -1.15 -0.33 0.00 -0.02 0.00 0.00 54.58 53.67 3m4o n ASN 104 Cb 0.77 -1.44 -0.02 0.00 -2.36 0.00 0.00 39.78 36.73 3m4o n ASN 104 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3m4o s ALA 105 N -3.81 2.93 0.67 -2.53 0.00 -1.02 -5.01 121.76 112.98 3m4o s ALA 105 Ca 0.27 0.31 -0.16 0.00 0.00 0.00 0.00 51.96 52.38 3m4o s ALA 105 Cb -0.16 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 19.79 3m4o s ALA 105 CO 0.91 -0.43 1.20 -2.14 0.00 0.00 0.00 175.76 175.30 3m4o s PRO 106 N -3.95 2.53 -0.08 0.00 0.02 -1.26 -4.71 135.00 127.55 3m4o s PRO 106 Ca 0.62 1.75 0.00 0.00 0.02 0.00 0.00 61.00 63.38 3m4o s PRO 106 Cb -0.13 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.48 3m4o s PRO 106 CO 0.31 -1.53 -0.07 0.08 -0.33 0.00 0.00 177.00 175.47 3m4o s VAL 107 N -1.87 3.71 -0.46 3.83 1.01 -1.26 -4.96 120.40 120.41 3m4o s VAL 107 Ca 0.75 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.30 3m4o s VAL 107 Cb -0.29 -2.54 0.53 0.00 0.00 0.00 0.00 36.38 34.09 3m4o s VAL 107 CO 0.40 0.58 1.74 0.49 0.00 0.00 0.00 175.10 178.31 3m4o n PHE 108 N 2.45 2.56 -3.56 5.22 0.99 -1.26 -4.92 117.46 118.94 3m4o n PHE 108 Ca -0.18 -2.21 -0.11 0.00 -0.00 0.00 0.00 57.45 54.96 3m4o n PHE 108 Cb 0.53 -0.91 -0.02 0.00 -1.00 0.00 0.00 39.48 38.08 3m4o n PHE 108 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 3m4o s VAL 109 N -3.94 0.01 -0.83 -4.37 -7.23 -1.26 -4.90 120.40 97.87 3m4o s VAL 109 Ca 0.55 -0.33 -0.25 0.00 -1.81 0.00 0.00 61.98 60.14 3m4o s VAL 109 Cb 0.46 -1.29 0.02 0.00 0.56 0.00 0.00 36.38 36.13 3m4o s VAL 109 CO 0.03 -0.02 1.45 -1.81 -0.31 0.00 0.00 175.10 174.44 3m4o s ASP 110 N -2.80 6.09 -0.87 4.85 1.01 -1.26 -4.90 116.67 118.79 3m4o s ASP 110 Ca 0.04 -0.71 -0.25 0.00 0.71 0.00 0.00 52.55 52.34 3m4o s ASP 110 Cb -0.02 -2.56 -0.20 0.00 1.01 0.00 0.00 42.92 41.15 3m4o s ASP 110 CO -0.07 -1.86 2.52 0.18 0.21 0.00 0.00 175.17 176.14 3m4o n LEU 111 N 9.95 0.51 -3.57 1.23 4.32 -1.26 -4.76 117.00 123.42 3m4o n LEU 111 Ca 0.18 -0.23 -0.41 0.00 -0.02 0.00 0.00 56.01 55.53 3m4o n LEU 111 Cb 0.50 -1.05 -0.01 0.00 -1.62 0.00 0.00 43.42 41.24 3m4o n LEU 111 CO 0.68 -1.19 2.82 1.21 -1.22 0.00 0.00 177.39 179.70 3m4o n GLU 112 N 8.07 3.45 -1.65 3.23 2.13 -1.26 -4.00 120.64 130.62 3m4o n GLU 112 Ca 0.59 -2.67 -0.07 0.00 0.66 0.00 0.00 57.16 55.66 3m4o n GLU 112 Cb 0.19 -2.99 -0.02 0.00 0.27 0.00 0.00 31.44 28.89 3m4o n GLU 112 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3m4o n GLY 113 N 3.48 0.53 3.49 8.31 0.00 -1.26 -5.04 105.19 114.70 3m4o n GLY 113 Ca 0.61 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 3m4o n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m4o s GLU 114 N -3.44 2.44 0.00 1.61 2.02 -1.26 -5.00 118.70 115.08 3m4o s GLU 114 Ca 0.00 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.25 3m4o s GLU 114 Cb 0.00 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.86 3m4o s GLU 114 CO 0.00 0.61 0.03 0.25 0.02 0.00 0.00 175.26 176.16 3m4o n THR 115 N 2.07 0.00 -2.67 3.63 -2.24 -1.26 -4.84 114.28 108.97 3m4o n THR 115 Ca -0.17 -0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.14 3m4o n THR 115 Cb 0.52 1.54 -0.03 0.00 -2.10 0.00 0.00 70.33 70.26 3m4o n THR 115 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3m4o s ASP 116 N -0.04 6.53 0.63 3.42 3.68 -1.26 -4.91 116.67 124.72 3m4o s ASP 116 Ca 0.00 0.23 0.19 0.00 2.13 0.00 0.00 52.55 55.10 3m4o s ASP 116 Cb 0.00 -2.52 0.73 0.00 -1.45 0.00 0.00 42.92 39.68 3m4o s ASP 116 CO 0.00 -1.26 1.30 1.55 0.13 0.00 0.00 175.17 176.88 3m4o h PRO 117 N 9.29 0.00 0.00 4.34 0.13 -1.95 0.51 132.00 144.32 3m4o h PRO 117 Ca -0.24 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.64 3m4o h PRO 117 Cb 1.06 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 3m4o h PRO 117 CO 1.12 0.00 -1.35 -0.11 -0.23 0.00 0.00 178.00 177.43 3m4o n LEU 118 N -3.04 1.88 0.03 1.56 7.94 -1.26 -3.59 117.00 120.53 3m4o n LEU 118 Ca 0.13 0.41 0.06 0.00 -1.11 0.00 0.00 56.01 55.51 3m4o n LEU 118 Cb 1.23 -0.96 0.28 0.00 0.53 0.00 0.00 43.42 44.50 3m4o n LEU 118 CO 0.16 0.31 0.70 -1.14 -1.11 0.00 0.00 177.39 176.31 3m4o n ARG 119 N -4.40 0.04 0.17 1.96 0.63 0.17 0.16 116.66 115.38 3m4o n ARG 119 Ca -0.33 0.37 -0.10 0.00 -0.92 0.00 0.00 57.85 56.86 3m4o n ARG 119 Cb 0.70 -1.59 -0.05 0.00 0.45 0.00 0.00 32.46 31.96 3m4o n ARG 119 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 3m4o h ILE 120 N 0.00 0.26 -0.13 5.15 5.03 -1.40 -3.31 117.51 123.11 3m4o h ILE 120 Ca 0.00 -0.70 0.04 0.00 -0.12 0.00 0.00 64.86 64.08 3m4o h ILE 120 Cb 0.19 0.43 -0.01 0.00 -3.03 0.00 0.00 36.82 34.40 3m4o h ILE 120 CO 0.00 0.06 0.20 0.00 -0.68 0.00 0.00 178.15 177.73 3m4o h ALA 121 N -0.87 1.63 -0.17 1.87 0.00 -0.34 0.17 119.26 121.55 3m4o h ALA 121 Ca -0.05 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 3m4o h ALA 121 Cb 0.48 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.29 3m4o h ALA 121 CO 0.08 -0.27 -0.74 0.52 0.00 0.00 0.00 179.25 178.85 3m4o h MET 122 N 0.00 0.78 -0.47 0.00 2.86 -1.53 -2.17 114.93 114.40 3m4o h MET 122 Ca 0.06 -0.61 -0.10 0.00 -2.06 0.00 0.00 59.70 56.99 3m4o h MET 122 Cb 0.46 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 3m4o h MET 122 CO -0.00 1.22 -0.12 -0.22 1.06 0.00 0.00 176.91 178.85 3m4o h LYS 123 N 0.54 0.88 0.00 1.72 3.64 -1.00 0.10 116.57 122.46 3m4o h LYS 123 Ca -0.04 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 58.99 3m4o h LYS 123 Cb 1.36 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3m4o h LYS 123 CO 0.15 0.95 -0.16 0.93 -2.27 0.00 0.00 179.45 179.05 3m4o h GLU 124 N 0.79 0.00 0.13 1.90 5.08 -0.76 -2.99 114.58 118.73 3m4o h GLU 124 Ca 0.13 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.12 3m4o h GLU 124 Cb 0.64 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 3m4o h GLU 124 CO 0.04 0.16 -1.98 -0.11 -1.00 0.00 0.00 179.01 176.12 3m4o n LEU 125 N -4.21 2.62 0.13 1.33 0.00 -0.82 -1.45 117.00 114.59 3m4o n LEU 125 Ca -0.02 0.22 0.17 0.00 0.00 0.00 0.00 56.01 56.37 3m4o n LEU 125 Cb 0.23 -1.11 0.74 0.00 0.00 0.00 0.00 43.42 43.28 3m4o n LEU 125 CO 0.35 0.85 1.15 0.00 0.00 0.00 0.00 177.39 179.74 3m4o h ALA 126 N 0.09 2.13 -0.70 1.96 0.00 -0.83 0.04 119.26 121.94 3m4o h ALA 126 Ca -0.42 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.10 3m4o h ALA 126 Cb 2.04 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 19.63 3m4o h ALA 126 CO 0.09 -0.40 0.29 0.39 0.00 0.00 0.00 179.25 179.62 3m4o n GLU 127 N -4.16 2.13 -1.83 0.00 1.02 -1.13 -4.97 120.64 111.71 3m4o n GLU 127 Ca 0.04 -3.16 -0.05 0.00 -0.02 0.00 0.00 57.16 53.98 3m4o n GLU 127 Cb 0.41 -2.03 -0.01 0.00 -0.02 0.00 0.00 31.44 29.79 3m4o n GLU 127 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3m4o n LYS 128 N -1.11 -1.69 -2.53 3.49 4.76 -0.00 -4.80 118.16 116.28 3m4o n LYS 128 Ca 0.48 0.02 -0.39 0.00 -2.87 0.00 0.00 58.31 55.55 3m4o n LYS 128 Cb 1.30 -2.18 0.02 0.00 -1.84 0.00 0.00 35.03 32.32 3m4o n LYS 128 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3m4o n LYS 129 N -1.45 4.60 -3.94 1.97 5.02 -0.53 -4.78 118.16 119.05 3m4o n LYS 129 Ca 0.01 -4.46 -0.29 0.00 -2.02 0.00 0.00 58.31 51.55 3m4o n LYS 129 Cb 0.23 -2.40 -0.16 0.00 -0.02 0.00 0.00 35.03 32.69 3m4o n LYS 129 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3m4o s ILE 130 N -4.54 1.33 -1.38 -0.18 1.01 -1.26 -4.82 121.20 111.36 3m4o s ILE 130 Ca 0.43 -0.78 -0.08 0.00 0.00 0.00 0.00 60.65 60.23 3m4o s ILE 130 Cb 0.26 -1.46 0.08 0.00 0.01 0.00 0.00 42.46 41.35 3m4o s ILE 130 CO -0.19 0.16 2.39 -2.65 0.00 0.00 0.00 174.94 174.64 3m4o n PRO 131 N 4.80 4.13 -4.68 2.79 -0.02 -1.26 -4.48 135.00 136.28 3m4o n PRO 131 Ca -0.13 -3.18 -0.30 0.00 -2.02 0.00 0.00 63.50 57.86 3m4o n PRO 131 Cb 0.47 -2.76 -0.13 0.00 -0.02 0.00 0.00 33.50 31.06 3m4o n PRO 131 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3m4o s LEU 132 N -1.04 2.42 -0.28 2.45 1.43 -1.26 -5.06 118.68 117.35 3m4o s LEU 132 Ca 0.54 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 53.06 3m4o s LEU 132 Cb 0.16 -1.40 0.03 0.00 0.03 0.00 0.00 46.19 45.01 3m4o s LEU 132 CO -0.07 0.24 -0.00 0.54 0.23 0.00 0.00 176.35 177.29 3m4o s VAL 133 N -0.92 3.25 -0.35 -1.59 0.11 -1.26 -2.13 120.40 117.51 3m4o s VAL 133 Ca 0.14 -1.01 -0.29 0.00 -2.93 0.00 0.00 61.98 57.89 3m4o s VAL 133 Cb -0.10 -2.71 0.00 0.00 -1.53 0.00 0.00 36.38 32.04 3m4o s VAL 133 CO 0.05 0.08 1.38 -0.63 -3.33 0.00 0.00 175.10 172.65 3m4o s ILE 134 N 1.36 3.99 -0.53 7.04 -1.09 0.90 -4.84 121.20 128.03 3m4o s ILE 134 Ca -0.00 1.06 -0.19 0.00 -2.23 0.00 0.00 60.65 59.29 3m4o s ILE 134 Cb -0.18 -4.14 0.07 0.00 -1.58 0.00 0.00 42.46 36.63 3m4o s ILE 134 CO -0.01 -0.60 0.63 -0.60 -1.23 0.00 0.00 174.94 173.13 3m4o s ARG 135 N 4.59 3.10 0.63 2.79 3.52 -1.26 -1.00 118.95 131.32 3m4o s ARG 135 Ca 0.60 -1.02 -0.09 0.00 -0.13 0.00 0.00 55.73 55.08 3m4o s ARG 135 Cb -0.16 -4.14 -0.01 0.00 -1.56 0.00 0.00 34.95 29.08 3m4o s ARG 135 CO 0.28 -1.29 1.00 1.03 -0.81 0.00 0.00 175.30 175.51 3m4o s ARG 136 N 2.59 3.13 -0.06 5.12 0.52 0.88 -4.89 118.95 126.24 3m4o s ARG 136 Ca 0.14 0.38 -0.00 0.00 -0.52 0.00 0.00 55.73 55.73 3m4o s ARG 136 Cb -0.21 -2.14 0.02 0.00 0.52 0.00 0.00 34.95 33.15 3m4o s ARG 136 CO 0.10 -0.74 -0.03 0.71 0.02 0.00 0.00 175.30 175.36 3m4o s TYR 137 N -3.15 0.76 0.02 -0.53 1.51 -1.26 -1.56 117.35 113.13 3m4o s TYR 137 Ca 0.55 -0.23 -0.13 0.00 -1.01 0.00 0.00 57.07 56.25 3m4o s TYR 137 Cb -0.11 -0.76 -0.06 0.00 -0.11 0.00 0.00 41.96 40.93 3m4o s TYR 137 CO 0.50 -0.27 0.39 -0.51 -1.11 0.00 0.00 175.55 174.55 3m4o s LEU 138 N 1.41 4.43 0.44 -1.29 1.43 0.29 -4.99 118.68 120.41 3m4o s LEU 138 Ca -0.03 0.88 0.28 0.00 -1.03 0.00 0.00 54.13 54.23 3m4o s LEU 138 Cb -0.13 -2.67 1.36 0.00 0.03 0.00 0.00 46.19 44.78 3m4o s LEU 138 CO -0.03 0.28 1.67 -0.65 0.23 0.00 0.00 176.35 177.86 3m4o h PRO 139 N 4.42 0.15 0.00 1.29 0.11 -2.01 -0.73 132.00 135.23 3m4o h PRO 139 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3m4o h PRO 139 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3m4o h PRO 139 CO 0.63 0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 178.12 3m4o n ASP 140 N -4.60 0.00 0.00 -2.05 5.75 -1.26 -4.79 116.55 109.60 3m4o n ASP 140 Ca 0.33 -0.38 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 3m4o n ASP 140 Cb 1.30 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.39 3m4o n ASP 140 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3m4o n GLY 141 N -0.31 3.13 3.68 6.12 0.00 -0.28 -5.06 105.19 112.46 3m4o n GLY 141 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 3m4o n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m4o s SER 142 N 0.22 3.12 0.14 1.61 1.04 -1.22 -4.62 113.70 113.99 3m4o s SER 142 Ca 0.00 1.73 -0.13 0.00 0.48 0.00 0.00 55.95 58.03 3m4o s SER 142 Cb 0.00 -2.35 0.02 0.00 0.10 0.00 0.00 66.02 63.78 3m4o s SER 142 CO 0.00 -2.90 0.35 0.72 0.98 0.00 0.00 173.24 172.40 3m4o s PHE 143 N -2.78 0.02 -0.05 5.02 -0.12 -1.25 -0.55 117.98 118.26 3m4o s PHE 143 Ca 0.65 -0.38 0.02 0.00 -0.05 0.00 0.00 56.93 57.17 3m4o s PHE 143 Cb -0.20 0.15 0.01 0.00 -0.63 0.00 0.00 43.02 42.35 3m4o s PHE 143 CO 0.58 -0.71 -0.10 -1.21 -0.05 0.00 0.00 175.22 173.73 3m4o s GLU 144 N -3.86 1.42 0.16 1.99 2.02 -0.60 -4.50 118.70 115.33 3m4o s GLU 144 Ca 0.08 -0.34 -0.19 0.00 0.02 0.00 0.00 54.97 54.53 3m4o s GLU 144 Cb 0.02 -1.22 -0.08 0.00 0.10 0.00 0.00 34.13 32.95 3m4o s GLU 144 CO -0.07 0.02 0.66 -0.51 0.02 0.00 0.00 175.26 175.38 3m4o s ASP 145 N 0.63 7.07 -0.10 -0.19 1.11 -1.26 -0.08 116.67 123.84 3m4o s ASP 145 Ca -0.12 1.35 -0.05 0.00 0.18 0.00 0.00 52.55 53.91 3m4o s ASP 145 Cb -0.14 -2.39 0.04 0.00 1.07 0.00 0.00 42.92 41.50 3m4o s ASP 145 CO 0.03 0.13 0.23 0.26 1.18 0.00 0.00 175.17 176.99 3m4o s TRP 146 N -1.36 -0.29 0.56 4.23 0.52 -0.17 -4.97 118.94 117.46 3m4o s TRP 146 Ca 0.38 0.72 -0.16 0.00 0.02 0.00 0.00 56.10 57.05 3m4o s TRP 146 Cb -0.18 0.02 -0.05 0.00 -1.15 0.00 0.00 33.47 32.11 3m4o s TRP 146 CO 0.21 -0.21 1.03 -1.54 0.02 0.00 0.00 176.95 176.46 3m4o s SER 147 N 1.18 6.09 0.00 2.95 1.04 -1.26 -0.07 113.70 123.63 3m4o s SER 147 Ca -0.09 1.74 0.07 0.00 0.48 0.00 0.00 55.95 58.15 3m4o s SER 147 Cb -0.10 -2.53 0.39 0.00 0.10 0.00 0.00 66.02 63.89 3m4o s SER 147 CO -0.08 -0.96 0.88 0.52 0.98 0.00 0.00 173.24 174.59 3m4o n VAL 148 N -1.84 0.00 -0.02 5.02 0.31 -0.91 -2.65 118.33 118.24 3m4o n VAL 148 Ca 0.08 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.40 3m4o n VAL 148 Cb 0.53 -0.42 -0.00 0.00 -0.91 0.00 0.00 33.84 33.04 3m4o n VAL 148 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3m4o h GLU 149 N 0.00 0.00 -0.93 5.55 5.08 -1.85 -3.39 114.58 119.04 3m4o h GLU 149 Ca 0.00 0.00 0.25 0.00 -1.00 0.00 0.00 59.36 58.61 3m4o h GLU 149 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 3m4o h GLU 149 CO 0.00 0.00 0.65 0.93 -1.00 0.00 0.00 179.01 179.59 3m4o h GLU 150 N -0.32 0.12 -6.47 2.33 5.08 -1.92 -3.42 114.58 109.98 3m4o h GLU 150 Ca 0.00 -0.01 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 3m4o h GLU 150 Cb 0.08 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3m4o h GLU 150 CO 0.00 0.08 0.61 -0.51 -1.00 0.00 0.00 179.01 178.20 3m4o s LEU 151 N -8.82 4.36 -0.16 1.33 1.43 -1.09 -4.96 118.68 110.77 3m4o s LEU 151 Ca -0.06 2.05 -0.15 0.00 -1.03 0.00 0.00 54.13 54.94 3m4o s LEU 151 Cb 0.22 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 3m4o s LEU 151 CO 0.78 -0.52 0.36 -0.63 0.23 0.00 0.00 176.35 176.57 3m4o s ILE 152 N 1.25 5.25 -0.48 -0.59 1.01 -0.45 -4.90 121.20 122.28 3m4o s ILE 152 Ca 0.60 0.68 -0.12 0.00 0.00 0.00 0.00 60.65 61.81 3m4o s ILE 152 Cb -0.30 -3.70 0.11 0.00 0.01 0.00 0.00 42.46 38.57 3m4o s ILE 152 CO 0.29 0.34 0.38 -0.69 0.00 0.00 0.00 174.94 175.26 3m4o s VAL 153 N 0.71 4.69 -0.03 2.92 1.01 -1.26 -1.28 120.40 127.15 3m4o s VAL 153 Ca 0.19 -1.50 -0.02 0.00 0.00 0.00 0.00 61.98 60.65 3m4o s VAL 153 Cb -0.14 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 3m4o s VAL 153 CO 0.06 -0.72 -0.04 -0.67 0.00 0.00 0.00 175.10 173.73 3m4o n ASP 154 N 5.06 0.34 0.00 3.32 2.03 -1.26 -5.05 116.55 121.00 3m4o n ASP 154 Ca -0.11 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.43 3m4o n ASP 154 Cb 0.41 -0.56 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 3m4o n ASP 154 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46