#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3v n ALA 73 N 0.00 0.00 0.00 7.82 0.00 -1.26 -5.09 120.51 121.98 3h3v n ALA 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3h3v n ALA 73 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3h3v n ALA 73 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3h3v n ILE 74 N 0.00 0.00 -2.15 0.00 5.41 -1.26 -3.99 119.36 117.38 3h3v n ILE 74 Ca 0.00 0.00 -0.37 0.00 1.00 0.00 0.00 62.75 63.38 3h3v n ILE 74 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3h3v n ILE 74 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3h3v s PRO 75 N -0.69 3.59 0.00 0.38 0.04 -1.26 -4.84 135.00 132.23 3h3v s PRO 75 Ca 0.00 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.91 3h3v s PRO 75 Cb 0.00 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.19 3h3v s PRO 75 CO 0.00 -0.72 0.71 1.17 0.04 0.00 0.00 177.00 178.20 3h3v n LYS 76 N -0.65 0.00 -4.38 4.56 3.00 -1.26 -4.21 118.16 115.22 3h3v n LYS 76 Ca 0.08 0.21 -0.25 0.00 -0.00 0.00 0.00 58.31 58.35 3h3v n LYS 76 Cb 0.47 -1.51 -0.10 0.00 0.00 0.00 0.00 35.03 33.90 3h3v n LYS 76 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3h3v s ASP 77 N -2.41 3.90 0.00 3.14 -1.08 -1.26 -4.68 116.67 114.27 3h3v s ASP 77 Ca 0.00 -0.80 0.00 0.00 -0.52 0.00 0.00 52.55 51.23 3h3v s ASP 77 Cb 0.00 -0.50 0.00 0.00 -1.46 0.00 0.00 42.92 40.96 3h3v s ASP 77 CO 0.00 0.07 0.00 0.00 0.52 0.00 0.00 175.17 175.76 3h3v n GLN 78 N -0.28 0.00 -2.41 4.34 6.02 -1.26 -5.03 117.38 118.76 3h3v n GLN 78 Ca -0.09 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.54 3h3v n GLN 78 Cb 0.58 -1.80 -0.03 0.00 1.02 0.00 0.00 30.24 30.01 3h3v n GLN 78 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3h3v s ARG 79 N -0.15 3.99 -0.09 -1.09 0.52 -1.26 -4.98 118.95 115.89 3h3v s ARG 79 Ca 0.00 1.63 0.09 0.00 -0.52 0.00 0.00 55.73 56.93 3h3v s ARG 79 Cb 0.00 -2.49 -0.13 0.00 0.52 0.00 0.00 34.95 32.85 3h3v s ARG 79 CO 0.00 -0.32 0.05 0.00 0.02 0.00 0.00 175.30 175.05 3h3v n ALA 80 N -0.24 1.81 -1.07 2.13 0.00 -1.26 -5.06 120.51 116.82 3h3v n ALA 80 Ca 0.06 -0.62 -0.36 0.00 0.00 0.00 0.00 53.44 52.51 3h3v n ALA 80 Cb 0.49 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.99 3h3v n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h3v n THR 81 N -2.33 0.37 -1.60 0.00 -2.24 -1.26 -4.80 114.28 102.42 3h3v n THR 81 Ca -0.15 -0.43 -0.47 0.00 -2.27 0.00 0.00 64.05 60.73 3h3v n THR 81 Cb 0.78 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 3h3v n THR 81 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3h3v n THR 82 N -2.44 1.07 0.49 4.28 -1.04 -1.26 -4.85 114.28 110.53 3h3v n THR 82 Ca 0.04 -0.27 0.12 0.00 -2.04 0.00 0.00 64.05 61.90 3h3v n THR 82 Cb 0.52 -1.00 0.46 0.00 -1.82 0.00 0.00 70.33 68.49 3h3v n THR 82 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3h3v n PRO 83 N 1.66 0.17 -3.94 -2.82 -0.02 -1.26 -4.75 135.00 124.03 3h3v n PRO 83 Ca 0.13 0.33 -0.22 0.00 -2.02 0.00 0.00 63.50 61.73 3h3v n PRO 83 Cb 0.27 -1.79 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 3h3v n PRO 83 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3h3v s TYR 84 N -3.21 3.46 0.04 6.00 1.51 -1.26 -1.77 117.35 122.12 3h3v s TYR 84 Ca 0.06 0.03 -0.29 0.00 -1.01 0.00 0.00 57.07 55.86 3h3v s TYR 84 Cb 0.10 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.30 3h3v s TYR 84 CO 0.42 0.44 0.92 1.41 -1.11 0.00 0.00 175.55 177.64 3h3v s MET 85 N -3.83 4.60 0.59 -0.62 -2.45 -0.74 -4.81 119.30 112.04 3h3v s MET 85 Ca 0.34 1.34 -0.19 0.00 -1.25 0.00 0.00 55.69 55.94 3h3v s MET 85 Cb -0.09 -3.41 -0.04 0.00 1.25 0.00 0.00 34.83 32.54 3h3v s MET 85 CO 0.29 0.11 1.18 0.95 1.05 0.00 0.00 175.02 178.60 3h3v s THR 86 N 0.44 2.80 0.62 10.11 -4.23 -1.26 -4.83 115.64 119.30 3h3v s THR 86 Ca 0.47 0.49 0.35 0.00 -1.18 0.00 0.00 61.69 61.81 3h3v s THR 86 Cb -0.22 -3.17 0.39 0.00 1.34 0.00 0.00 72.50 70.84 3h3v s THR 86 CO 0.27 -0.12 2.25 0.07 -0.54 0.00 0.00 174.62 176.55 3h3v h LYS 87 N 0.88 0.00 0.04 3.99 2.10 -1.99 -1.71 116.57 119.88 3h3v h LYS 87 Ca -0.50 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.07 3h3v h LYS 87 Cb 1.28 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.62 3h3v h LYS 87 CO 0.55 0.00 -0.32 1.88 -2.00 0.00 0.00 179.45 179.56 3h3v h TYR 88 N 0.00 0.24 -0.06 0.07 -1.99 -1.97 -0.99 116.97 112.27 3h3v h TYR 88 Ca 0.02 -0.16 0.02 0.00 2.00 0.00 0.00 58.73 60.60 3h3v h TYR 88 Cb 0.14 -0.02 -0.05 0.00 2.00 0.00 0.00 36.73 38.81 3h3v h TYR 88 CO 0.00 1.08 -0.43 0.93 -0.00 0.00 0.00 178.16 179.74 3h3v h GLU 89 N -0.66 -0.47 -0.00 4.88 5.08 -1.69 1.75 114.58 123.46 3h3v h GLU 89 Ca -0.05 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3h3v h GLU 89 Cb 1.20 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.50 3h3v h GLU 89 CO 0.06 -0.31 -0.42 0.07 -1.00 0.00 0.00 179.01 177.41 3h3v h ARG 90 N -0.49 -0.55 -0.72 2.33 0.11 -1.48 1.81 114.38 115.38 3h3v h ARG 90 Ca 0.02 0.04 0.15 0.00 0.10 0.00 0.00 59.98 60.29 3h3v h ARG 90 Cb 0.55 0.13 -0.11 0.00 1.11 0.00 0.00 29.97 31.65 3h3v h ARG 90 CO -0.32 -0.37 0.16 0.00 0.10 0.00 0.00 179.97 179.54 3h3v h ALA 91 N -0.04 0.90 0.34 0.08 0.00 -0.66 -1.27 119.26 118.61 3h3v h ALA 91 Ca 0.05 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3h3v h ALA 91 Cb 0.65 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3h3v h ALA 91 CO -0.32 -0.34 -0.16 -0.09 0.00 0.00 0.00 179.25 178.34 3h3v h ARG 92 N 0.25 -0.43 -0.88 0.00 2.43 0.44 -2.90 114.38 113.28 3h3v h ARG 92 Ca 0.40 0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.72 3h3v h ARG 92 Cb 0.68 0.10 -0.13 0.00 -0.42 0.00 0.00 29.97 30.19 3h3v h ARG 92 CO -0.51 -0.14 -0.39 -0.89 -1.51 0.00 0.00 179.97 176.54 3h3v n ILE 93 N -5.09 -0.50 0.02 1.20 5.41 0.60 0.30 119.36 121.30 3h3v n ILE 93 Ca -0.08 2.09 -0.11 0.00 1.00 0.00 0.00 62.75 65.65 3h3v n ILE 93 Cb 0.26 -2.71 -0.04 0.00 -0.71 0.00 0.00 39.64 36.44 3h3v n ILE 93 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3h3v h LEU 94 N 0.00 -0.92 0.02 1.39 3.38 -1.33 -0.13 115.31 117.72 3h3v h LEU 94 Ca 0.26 0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.38 3h3v h LEU 94 Cb 0.49 0.39 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 3h3v h LEU 94 CO -0.86 -0.35 -0.47 1.23 0.09 0.00 0.00 178.44 178.08 3h3v h GLY 95 N -0.40 -1.17 -0.46 0.83 0.00 0.06 0.47 103.07 102.39 3h3v h GLY 95 Ca 0.09 0.65 0.11 0.00 0.00 0.00 0.00 47.33 48.18 3h3v h GLY 95 CO -0.31 -0.28 -0.34 -0.84 0.00 0.00 0.00 176.54 174.77 3h3v h THR 96 N -0.60 0.16 -0.25 4.70 2.02 -0.60 0.20 112.91 118.54 3h3v h THR 96 Ca 0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 3h3v h THR 96 Cb 0.63 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3h3v h THR 96 CO -0.30 0.00 0.14 -0.09 0.37 0.00 0.00 175.52 175.64 3h3v h ARG 97 N -0.15 0.35 -0.07 6.66 9.65 -0.56 -1.58 114.38 128.67 3h3v h ARG 97 Ca 0.24 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 59.12 3h3v h ARG 97 Cb 0.55 -0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 29.00 3h3v h ARG 97 CO -0.70 0.32 -0.39 0.00 2.80 0.00 0.00 179.97 181.99 3h3v h ALA 98 N 1.02 -0.57 -0.75 2.80 0.00 0.11 0.70 119.26 122.57 3h3v h ALA 98 Ca 0.09 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.14 3h3v h ALA 98 Cb 0.07 0.72 -0.14 0.00 0.00 0.00 0.00 17.79 18.43 3h3v h ALA 98 CO -0.01 -0.90 -0.17 1.25 0.00 0.00 0.00 179.25 179.41 3h3v h LEU 99 N -0.50 -0.67 0.02 0.00 5.85 -0.29 0.90 115.31 120.61 3h3v h LEU 99 Ca 0.07 0.22 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 3h3v h LEU 99 Cb 0.62 0.46 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3h3v h LEU 99 CO -0.35 -0.24 -0.01 1.56 -0.34 0.00 0.00 178.44 179.06 3h3v h GLN 100 N 0.01 -0.02 -0.62 1.25 4.20 -0.25 -2.15 115.11 117.53 3h3v h GLN 100 Ca 0.37 0.00 0.12 0.00 0.06 0.00 0.00 58.65 59.20 3h3v h GLN 100 Cb 0.57 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.23 3h3v h GLN 100 CO -0.77 0.28 -0.25 0.82 -0.67 0.00 0.00 178.83 178.24 3h3v h ILE 101 N -0.32 0.25 0.00 2.54 2.04 0.30 1.49 117.51 123.80 3h3v h ILE 101 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3h3v h ILE 101 Cb 0.31 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3h3v h ILE 101 CO 0.00 0.00 0.01 0.77 0.00 0.00 0.00 178.15 178.93 3h3v h SER 102 N -0.09 0.00 -0.63 1.72 4.64 0.85 0.12 113.55 120.15 3h3v h SER 102 Ca 0.27 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.47 3h3v h SER 102 Cb 0.52 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.54 3h3v h SER 102 CO -0.68 0.00 0.16 0.23 -0.87 0.00 0.00 176.83 175.68 3h3v n MET 103 N -2.85 3.94 -3.03 4.77 2.81 0.51 -4.90 117.12 118.37 3h3v n MET 103 Ca -0.03 -2.86 -0.12 0.00 -1.81 0.00 0.00 57.70 52.88 3h3v n MET 103 Cb 0.07 -2.18 0.05 0.00 -0.71 0.00 0.00 33.22 30.45 3h3v n MET 103 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3h3v n ASN 104 N 0.15 -3.82 -4.17 7.83 3.02 0.40 -5.04 115.26 113.62 3h3v n ASN 104 Ca 0.33 -0.31 -0.29 0.00 -0.03 0.00 0.00 54.58 54.28 3h3v n ASN 104 Cb 1.25 -3.05 0.18 0.00 -0.61 0.00 0.00 39.78 37.55 3h3v n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h3v s ALA 105 N -3.18 2.39 0.14 5.41 0.00 -1.05 -5.00 121.76 120.46 3h3v s ALA 105 Ca 0.24 -1.28 -0.30 0.00 0.00 0.00 0.00 51.96 50.63 3h3v s ALA 105 Cb -0.11 -2.69 -0.07 0.00 0.00 0.00 0.00 23.12 20.26 3h3v s ALA 105 CO 0.41 -2.35 1.07 -2.14 0.00 0.00 0.00 175.76 172.75 3h3v s PRO 106 N -5.82 4.60 -0.25 0.00 0.02 -1.26 -4.87 135.00 127.43 3h3v s PRO 106 Ca 0.73 1.65 -0.15 0.00 0.02 0.00 0.00 61.00 63.26 3h3v s PRO 106 Cb -0.04 -3.31 -0.04 0.00 0.02 0.00 0.00 34.50 31.13 3h3v s PRO 106 CO 0.52 0.07 0.35 0.08 -0.33 0.00 0.00 177.00 177.69 3h3v s VAL 107 N -0.00 5.21 -2.25 3.83 1.01 -1.26 -4.97 120.40 121.97 3h3v s VAL 107 Ca 0.50 0.56 0.20 0.00 0.00 0.00 0.00 61.98 63.24 3h3v s VAL 107 Cb -0.28 -3.68 0.44 0.00 0.00 0.00 0.00 36.38 32.86 3h3v s VAL 107 CO 0.33 0.21 1.45 0.49 0.00 0.00 0.00 175.10 177.57 3h3v n PHE 108 N 4.94 0.44 -4.42 5.22 0.99 -1.26 -4.93 117.46 118.45 3h3v n PHE 108 Ca -0.09 -0.22 -0.21 0.00 -0.00 0.00 0.00 57.45 56.93 3h3v n PHE 108 Cb 0.51 0.00 -0.10 0.00 -1.00 0.00 0.00 39.48 38.89 3h3v n PHE 108 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 3h3v s VAL 109 N -1.56 0.71 -0.55 -4.37 1.01 -1.26 -4.99 120.40 109.39 3h3v s VAL 109 Ca 0.34 -2.00 -0.25 0.00 0.00 0.00 0.00 61.98 60.07 3h3v s VAL 109 Cb 0.19 -2.58 0.04 0.00 0.00 0.00 0.00 36.38 34.03 3h3v s VAL 109 CO 0.27 0.00 1.01 -1.81 0.00 0.00 0.00 175.10 174.56 3h3v s ASP 110 N -3.46 6.38 -1.10 3.32 1.01 -1.26 -4.91 116.67 116.65 3h3v s ASP 110 Ca 0.33 -0.20 -0.25 0.00 0.71 0.00 0.00 52.55 53.14 3h3v s ASP 110 Cb 0.06 -2.47 -0.17 0.00 1.01 0.00 0.00 42.92 41.35 3h3v s ASP 110 CO 0.15 -1.28 2.02 0.18 0.21 0.00 0.00 175.17 176.45 3h3v n LEU 111 N 7.70 2.18 -4.06 1.23 4.32 -1.26 -4.76 117.00 122.35 3h3v n LEU 111 Ca 0.04 -2.79 -0.32 0.00 -0.02 0.00 0.00 56.01 52.92 3h3v n LEU 111 Cb 0.48 -1.69 -0.10 0.00 -1.62 0.00 0.00 43.42 40.49 3h3v n LEU 111 CO 0.66 -2.73 1.49 -0.62 -1.22 0.00 0.00 177.39 174.96 3h3v n GLU 112 N 8.17 0.65 0.00 3.23 1.02 -1.26 -3.73 120.64 128.72 3h3v n GLU 112 Ca 0.43 -1.67 0.00 0.00 -0.02 0.00 0.00 57.16 55.90 3h3v n GLU 112 Cb 0.46 -3.26 0.00 0.00 -0.02 0.00 0.00 31.44 28.62 3h3v n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h3v n GLY 113 N 5.40 1.80 3.44 0.62 0.00 -1.26 -4.98 105.19 110.21 3h3v n GLY 113 Ca 0.45 -0.13 -0.56 0.00 0.00 0.00 0.00 46.02 45.78 3h3v n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h3v n GLU 114 N 0.00 0.00 0.00 1.61 -0.58 -1.24 -4.89 120.64 115.54 3h3v n GLU 114 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3h3v n GLU 114 Cb 0.00 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 3h3v n GLU 114 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3h3v n THR 115 N 1.24 0.17 -4.00 2.62 -2.24 -1.26 -4.86 114.28 105.95 3h3v n THR 115 Ca 0.19 -0.30 -0.35 0.00 -2.27 0.00 0.00 64.05 61.33 3h3v n THR 115 Cb 0.11 1.26 -0.08 0.00 -2.10 0.00 0.00 70.33 69.51 3h3v n THR 115 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3h3v s ASP 116 N -0.17 5.84 0.02 3.42 -1.08 -1.26 -5.04 116.67 118.39 3h3v s ASP 116 Ca 0.00 0.21 -0.11 0.00 -0.52 0.00 0.00 52.55 52.13 3h3v s ASP 116 Cb 0.00 -1.92 -0.06 0.00 -1.46 0.00 0.00 42.92 39.48 3h3v s ASP 116 CO 0.00 0.27 1.17 1.55 0.52 0.00 0.00 175.17 178.68 3h3v h PRO 117 N 5.97 -0.39 0.00 4.34 0.13 -1.96 0.14 132.00 140.23 3h3v h PRO 117 Ca -0.45 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3h3v h PRO 117 Cb 1.19 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3h3v h PRO 117 CO 0.65 -0.26 0.26 1.25 -0.23 0.00 0.00 178.00 179.68 3h3v h LEU 118 N -0.40 0.00 0.01 1.56 5.85 -1.90 1.12 115.31 121.55 3h3v h LEU 118 Ca -0.04 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 3h3v h LEU 118 Cb 0.31 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3h3v h LEU 118 CO 0.06 0.00 -0.35 -0.09 -0.34 0.00 0.00 178.44 177.71 3h3v h ARG 119 N 0.00 0.02 0.05 1.25 9.65 -1.92 -2.91 114.38 120.52 3h3v h ARG 119 Ca 0.00 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.86 3h3v h ARG 119 Cb 0.53 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.10 3h3v h ARG 119 CO 0.00 1.02 -0.13 0.82 2.80 0.00 0.00 179.97 184.48 3h3v h ILE 120 N -0.96 0.69 -0.30 1.20 2.04 0.38 -2.29 117.51 118.29 3h3v h ILE 120 Ca -0.09 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.82 3h3v h ILE 120 Cb 1.12 0.69 -0.08 0.00 -0.74 0.00 0.00 36.82 37.81 3h3v h ILE 120 CO -0.04 0.00 -0.46 0.00 0.00 0.00 0.00 178.15 177.65 3h3v h ALA 121 N 0.67 -0.58 -1.09 1.87 0.00 -0.06 1.18 119.26 121.25 3h3v h ALA 121 Ca 0.03 0.02 0.32 0.00 0.00 0.00 0.00 54.91 55.27 3h3v h ALA 121 Cb 0.27 0.91 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 3h3v h ALA 121 CO -0.09 -0.93 0.81 0.52 0.00 0.00 0.00 179.25 179.55 3h3v h MET 122 N -0.41 0.00 0.00 0.00 2.86 -1.25 0.32 114.93 116.45 3h3v h MET 122 Ca 0.10 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3h3v h MET 122 Cb 0.61 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 3h3v h MET 122 CO -0.51 0.00 -0.11 -0.22 1.06 0.00 0.00 176.91 177.13 3h3v h LYS 123 N 0.00 0.00 -0.61 1.72 3.64 0.16 -2.74 116.57 118.74 3h3v h LYS 123 Ca 0.52 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 60.02 3h3v h LYS 123 Cb 2.12 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 33.84 3h3v h LYS 123 CO -0.01 0.79 -0.04 0.93 -2.27 0.00 0.00 179.45 178.86 3h3v h GLU 124 N -1.00 0.08 0.00 1.90 5.08 0.23 0.21 114.58 121.08 3h3v h GLU 124 Ca -0.03 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3h3v h GLU 124 Cb 0.82 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3h3v h GLU 124 CO -0.02 0.05 0.00 1.25 -1.00 0.00 0.00 179.01 179.30 3h3v h LEU 125 N 0.08 0.00 0.00 1.33 6.46 -0.57 -0.73 115.31 121.89 3h3v h LEU 125 Ca 0.31 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.07 3h3v h LEU 125 Cb 0.50 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.43 3h3v h LEU 125 CO -0.55 0.00 -0.93 0.00 -0.62 0.00 0.00 178.44 176.34 3h3v n ALA 126 N -1.98 2.89 -0.17 1.25 0.00 0.68 -3.37 120.51 119.81 3h3v n ALA 126 Ca -0.01 -0.29 0.08 0.00 0.00 0.00 0.00 53.44 53.22 3h3v n ALA 126 Cb 0.18 -1.08 0.21 0.00 0.00 0.00 0.00 19.45 18.76 3h3v n ALA 126 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h3v n GLU 127 N -2.29 2.66 -4.00 0.00 1.02 -0.87 -4.95 120.64 112.22 3h3v n GLU 127 Ca 0.01 -2.24 -0.33 0.00 -0.02 0.00 0.00 57.16 54.59 3h3v n GLU 127 Cb 0.49 -1.39 -0.04 0.00 -0.02 0.00 0.00 31.44 30.48 3h3v n GLU 127 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3h3v n LYS 128 N 1.01 -2.44 -1.19 3.49 5.02 -0.69 -4.83 118.16 118.52 3h3v n LYS 128 Ca 0.17 0.29 -0.23 0.00 -2.02 0.00 0.00 58.31 56.51 3h3v n LYS 128 Cb 0.50 -4.95 0.17 0.00 -0.02 0.00 0.00 35.03 30.73 3h3v n LYS 128 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3h3v n LYS 129 N -3.98 2.22 -3.42 1.97 5.02 -0.37 -4.51 118.16 115.09 3h3v n LYS 129 Ca 0.07 -2.90 -0.37 0.00 -2.02 0.00 0.00 58.31 53.08 3h3v n LYS 129 Cb 0.49 -2.14 -0.06 0.00 -0.02 0.00 0.00 35.03 33.29 3h3v n LYS 129 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3h3v s ILE 130 N -3.23 5.24 -0.11 -0.18 1.01 -1.26 -4.83 121.20 117.84 3h3v s ILE 130 Ca 0.55 0.76 0.01 0.00 0.00 0.00 0.00 60.65 61.97 3h3v s ILE 130 Cb 0.46 -3.73 0.14 0.00 0.01 0.00 0.00 42.46 39.35 3h3v s ILE 130 CO 0.10 0.36 1.38 -0.81 0.00 0.00 0.00 174.94 175.97 3h3v n PRO 131 N 3.59 1.31 -4.09 2.79 -0.04 -1.26 -4.53 135.00 132.76 3h3v n PRO 131 Ca -0.09 -0.70 -0.25 0.00 -0.04 0.00 0.00 63.50 62.42 3h3v n PRO 131 Cb 0.52 -1.27 -0.05 0.00 -0.04 0.00 0.00 33.50 32.65 3h3v n PRO 131 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3h3v s LEU 132 N -0.78 3.84 -0.11 1.53 2.01 -1.26 -5.06 118.68 118.86 3h3v s LEU 132 Ca 0.13 -0.16 0.00 0.00 0.01 0.00 0.00 54.13 54.12 3h3v s LEU 132 Cb 0.11 -2.42 0.02 0.00 0.01 0.00 0.00 46.19 43.92 3h3v s LEU 132 CO 0.02 0.03 -0.10 -0.69 1.01 0.00 0.00 176.35 176.61 3h3v s VAL 133 N -1.89 1.17 -0.05 -1.59 1.01 -1.26 -2.25 120.40 115.54 3h3v s VAL 133 Ca 0.32 -0.41 -0.22 0.00 0.00 0.00 0.00 61.98 61.66 3h3v s VAL 133 Cb -0.09 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 3h3v s VAL 133 CO 0.24 0.38 0.66 -0.63 0.00 0.00 0.00 175.10 175.76 3h3v s ILE 134 N 1.38 5.00 -0.70 2.22 1.01 0.27 -4.92 121.20 125.44 3h3v s ILE 134 Ca -0.00 1.37 -0.08 0.00 0.00 0.00 0.00 60.65 61.94 3h3v s ILE 134 Cb -0.13 -4.00 0.18 0.00 0.01 0.00 0.00 42.46 38.52 3h3v s ILE 134 CO -0.05 0.31 0.57 -0.60 0.00 0.00 0.00 174.94 175.17 3h3v s ARG 135 N 0.46 2.99 -0.30 2.79 3.52 -1.26 -1.16 118.95 126.00 3h3v s ARG 135 Ca 0.35 -2.48 -0.29 0.00 -0.13 0.00 0.00 55.73 53.18 3h3v s ARG 135 Cb -0.18 -4.03 -0.00 0.00 -1.56 0.00 0.00 34.95 29.18 3h3v s ARG 135 CO 0.18 -1.22 1.36 1.03 -0.81 0.00 0.00 175.30 175.84 3h3v s ARG 136 N 0.07 3.86 0.46 5.12 0.52 -0.21 -4.86 118.95 123.91 3h3v s ARG 136 Ca 0.17 1.28 -0.03 0.00 -0.52 0.00 0.00 55.73 56.62 3h3v s ARG 136 Cb -0.16 -3.92 -0.03 0.00 0.52 0.00 0.00 34.95 31.36 3h3v s ARG 136 CO -0.05 -1.20 0.73 0.71 0.02 0.00 0.00 175.30 175.51 3h3v s TYR 137 N 4.62 3.48 0.15 -0.53 1.51 -1.26 0.56 117.35 125.89 3h3v s TYR 137 Ca 0.59 0.64 0.10 0.00 -1.01 0.00 0.00 57.07 57.39 3h3v s TYR 137 Cb -0.18 -2.26 -0.04 0.00 -0.11 0.00 0.00 41.96 39.37 3h3v s TYR 137 CO 0.25 -0.26 -0.20 -0.51 -1.11 0.00 0.00 175.55 173.72 3h3v s LEU 138 N -4.66 2.59 0.00 -1.29 1.43 0.77 -4.90 118.68 112.62 3h3v s LEU 138 Ca 0.46 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 3h3v s LEU 138 Cb -0.10 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.73 3h3v s LEU 138 CO 0.42 0.15 0.53 -0.81 0.23 0.00 0.00 176.35 176.87 3h3v n PRO 139 N 0.52 0.00 -0.00 1.29 -0.04 -1.26 0.15 135.00 135.65 3h3v n PRO 139 Ca -0.14 0.13 0.04 0.00 -0.04 0.00 0.00 63.50 63.48 3h3v n PRO 139 Cb 0.54 -1.69 -0.05 0.00 -0.04 0.00 0.00 33.50 32.26 3h3v n PRO 139 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3h3v n ASP 140 N -1.03 1.56 0.00 3.54 5.75 -1.26 -5.01 116.55 120.10 3h3v n ASP 140 Ca 0.00 -0.39 0.00 0.00 -0.01 0.00 0.00 54.79 54.39 3h3v n ASP 140 Cb 0.19 1.15 0.00 0.00 -1.03 0.00 0.00 41.12 41.43 3h3v n ASP 140 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h3v n GLY 141 N 1.55 1.07 3.75 6.12 0.00 0.12 -5.09 105.19 112.71 3h3v n GLY 141 Ca 0.00 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 3h3v n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h3v s SER 142 N -0.74 4.89 0.24 1.61 1.04 -1.26 -4.59 113.70 114.89 3h3v s SER 142 Ca 0.00 2.18 0.01 0.00 0.48 0.00 0.00 55.95 58.63 3h3v s SER 142 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 3h3v s SER 142 CO 0.00 -1.78 0.16 0.72 0.98 0.00 0.00 173.24 173.31 3h3v s PHE 143 N -2.06 1.36 0.27 5.02 -0.12 -1.26 -0.16 117.98 121.03 3h3v s PHE 143 Ca 0.71 -1.41 0.11 0.00 -0.05 0.00 0.00 56.93 56.29 3h3v s PHE 143 Cb -0.25 -0.66 -0.05 0.00 -0.63 0.00 0.00 43.02 41.43 3h3v s PHE 143 CO 0.40 -0.63 -0.17 -1.21 -0.05 0.00 0.00 175.22 173.55 3h3v s GLU 144 N -3.98 1.62 -0.10 1.99 2.02 0.19 -4.05 118.70 116.39 3h3v s GLU 144 Ca 0.39 -1.76 -0.00 0.00 0.02 0.00 0.00 54.97 53.62 3h3v s GLU 144 Cb 0.06 -1.61 0.02 0.00 0.10 0.00 0.00 34.13 32.70 3h3v s GLU 144 CO 0.16 0.27 -0.08 -0.51 0.02 0.00 0.00 175.26 175.12 3h3v s ASP 145 N -3.48 2.06 0.10 -0.19 1.11 -1.26 -1.05 116.67 113.96 3h3v s ASP 145 Ca 0.29 -0.28 0.07 0.00 0.18 0.00 0.00 52.55 52.80 3h3v s ASP 145 Cb -0.03 -0.80 -0.03 0.00 1.07 0.00 0.00 42.92 43.12 3h3v s ASP 145 CO 0.13 -0.10 -0.17 0.26 1.18 0.00 0.00 175.17 176.47 3h3v s TRP 146 N 1.57 1.50 -0.01 4.23 0.52 -0.31 -4.96 118.94 121.47 3h3v s TRP 146 Ca 0.02 -0.46 0.04 0.00 0.02 0.00 0.00 56.10 55.72 3h3v s TRP 146 Cb -0.13 -0.82 -0.03 0.00 -1.15 0.00 0.00 33.47 31.34 3h3v s TRP 146 CO -0.06 0.15 -0.12 -1.54 0.02 0.00 0.00 176.95 175.39 3h3v s SER 147 N -1.99 4.23 0.32 2.95 1.04 -1.26 0.93 113.70 119.93 3h3v s SER 147 Ca 0.04 -0.21 0.08 0.00 0.48 0.00 0.00 55.95 56.34 3h3v s SER 147 Cb -0.09 -0.90 0.91 0.00 0.10 0.00 0.00 66.02 66.04 3h3v s SER 147 CO 0.03 0.31 1.63 -0.37 0.98 0.00 0.00 173.24 175.83 3h3v h VAL 148 N 4.05 0.23 0.09 5.02 -1.51 -1.72 0.41 116.25 122.83 3h3v h VAL 148 Ca -0.48 -0.07 0.01 0.00 -1.23 0.00 0.00 66.70 64.94 3h3v h VAL 148 Cb 1.16 0.02 -0.04 0.00 -2.13 0.00 0.00 31.29 30.30 3h3v h VAL 148 CO 0.51 0.04 -0.48 -0.08 -1.23 0.00 0.00 177.57 176.33 3h3v h GLU 149 N 0.19 -0.64 0.00 5.19 4.81 -1.80 -3.26 114.58 119.08 3h3v h GLU 149 Ca 0.65 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.93 3h3v h GLU 149 Cb 1.45 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.97 3h3v h GLU 149 CO -0.69 -0.43 0.00 0.39 -0.73 0.00 0.00 179.01 177.55 3h3v n GLU 150 N -5.15 0.00 -0.81 1.92 1.02 0.14 -4.77 120.64 112.99 3h3v n GLU 150 Ca -0.07 0.44 -0.31 0.00 -0.02 0.00 0.00 57.16 57.19 3h3v n GLU 150 Cb 0.37 -1.24 -0.04 0.00 -0.02 0.00 0.00 31.44 30.51 3h3v n GLU 150 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3h3v n LEU 151 N -1.50 -0.12 -4.72 -4.62 4.77 -0.71 -4.88 117.00 105.21 3h3v n LEU 151 Ca 0.00 0.63 -0.40 0.00 -0.03 0.00 0.00 56.01 56.21 3h3v n LEU 151 Cb 0.00 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.54 3h3v n LEU 151 CO 0.00 -1.14 0.44 -0.63 -1.33 0.00 0.00 177.39 174.73 3h3v s ILE 152 N -0.09 5.02 -1.00 -0.08 1.01 -0.73 -4.85 121.20 120.48 3h3v s ILE 152 Ca 0.47 1.53 -0.09 0.00 0.00 0.00 0.00 60.65 62.56 3h3v s ILE 152 Cb -0.66 -4.08 0.25 0.00 0.01 0.00 0.00 42.46 37.98 3h3v s ILE 152 CO 0.31 0.24 0.96 0.68 0.00 0.00 0.00 174.94 177.12 3h3v s VAL 153 N 0.84 5.63 0.00 2.92 -7.23 -1.26 -1.79 120.40 119.52 3h3v s VAL 153 Ca 0.40 -3.22 0.00 0.00 -1.81 0.00 0.00 61.98 57.35 3h3v s VAL 153 Cb -0.18 -4.42 0.00 0.00 0.56 0.00 0.00 36.38 32.34 3h3v s VAL 153 CO 0.19 -1.12 0.00 -0.67 -0.31 0.00 0.00 175.10 173.19 3h3v n ASP 154 N 3.01 0.00 0.00 4.85 -0.08 -1.26 -5.07 116.55 118.01 3h3v n ASP 154 Ca 0.20 0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.50 3h3v n ASP 154 Cb 0.41 -0.02 0.00 0.00 2.34 0.00 0.00 41.12 43.85 3h3v n ASP 154 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50