#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmw h LYS 82 N 0.00 0.34 -3.25 1.97 1.79 -2.05 -3.46 116.57 111.90 2jmw h LYS 82 Ca 0.00 -0.02 -0.18 0.00 -2.18 0.00 0.00 60.65 58.27 2jmw h LYS 82 Cb 0.00 -0.08 0.07 0.00 -1.58 0.00 0.00 32.23 30.64 2jmw h LYS 82 CO 0.00 0.22 -0.31 -2.13 -1.08 0.00 0.00 179.45 176.15 2jmw n ARG 83 N -5.00 -3.66 -3.64 3.15 3.00 -1.26 -4.89 116.66 104.36 2jmw n ARG 83 Ca 0.04 0.38 -0.08 0.00 -0.00 0.00 0.00 57.85 58.20 2jmw n ARG 83 Cb 0.18 -4.06 -0.07 0.00 0.00 0.00 0.00 32.46 28.51 2jmw n ARG 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jmw s ALA 84 N -3.15 -2.02 -0.07 5.13 0.00 -1.26 -5.05 121.76 115.34 2jmw s ALA 84 Ca 0.26 1.83 0.03 0.00 0.00 0.00 0.00 51.96 54.08 2jmw s ALA 84 Cb -0.11 -1.50 -0.06 0.00 0.00 0.00 0.00 23.12 21.44 2jmw s ALA 84 CO 0.34 -0.21 -0.02 0.39 0.00 0.00 0.00 175.76 176.26 2jmw n GLU 85 N 2.05 1.71 -0.07 0.00 -0.58 -1.26 -4.76 120.64 117.72 2jmw n GLU 85 Ca -0.12 0.02 -0.18 0.00 -0.42 0.00 0.00 57.16 56.46 2jmw n GLU 85 Cb 0.56 -1.15 -0.13 0.00 -0.57 0.00 0.00 31.44 30.15 2jmw n GLU 85 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2jmw n THR 86 N -2.46 1.59 -3.79 2.62 -1.04 -1.26 -4.97 114.28 104.97 2jmw n THR 86 Ca -0.12 -0.64 -0.22 0.00 -2.04 0.00 0.00 64.05 61.04 2jmw n THR 86 Cb 0.67 -1.42 -0.02 0.00 -1.82 0.00 0.00 70.33 67.74 2jmw n THR 86 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 2jmw s TRP 87 N -2.54 3.45 0.18 -1.42 0.52 -1.26 -5.12 118.94 112.75 2jmw s TRP 87 Ca -0.27 0.07 0.08 0.00 0.02 0.00 0.00 56.10 56.01 2jmw s TRP 87 Cb 0.08 -1.67 -0.04 0.00 -1.15 0.00 0.00 33.47 30.68 2jmw s TRP 87 CO 0.69 0.34 -0.06 0.14 0.02 0.00 0.00 176.95 178.08 2jmw s VAL 88 N -2.08 3.38 0.25 4.03 -7.23 -1.26 -4.71 120.40 112.79 2jmw s VAL 88 Ca 0.36 -1.58 -0.11 0.00 -1.81 0.00 0.00 61.98 58.84 2jmw s VAL 88 Cb -0.09 -2.69 0.36 0.00 0.56 0.00 0.00 36.38 34.52 2jmw s VAL 88 CO 0.31 -0.12 1.58 -0.61 -0.31 0.00 0.00 175.10 175.96 2jmw h GLN 89 N 2.81 -0.00 0.15 4.82 4.15 -1.96 0.29 115.11 125.35 2jmw h GLN 89 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.96 2jmw h GLN 89 Cb 1.21 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.87 2jmw h GLN 89 CO 0.56 -0.00 -0.32 -0.44 -1.93 0.00 0.00 178.83 176.69 2jmw h ASP 90 N -0.00 -0.94 0.38 -0.69 5.19 -1.99 -0.08 116.42 118.28 2jmw h ASP 90 Ca 0.41 0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.90 2jmw h ASP 90 Cb 0.62 0.34 -0.02 0.00 0.18 0.00 0.00 39.33 40.45 2jmw h ASP 90 CO -0.88 -0.36 -0.41 -0.33 -3.12 0.00 0.00 179.24 174.14 2jmw h GLU 91 N -0.51 -0.76 -0.94 3.56 5.08 -1.67 -1.05 114.58 118.29 2jmw h GLU 91 Ca -0.01 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.48 2jmw h GLU 91 Cb 0.49 0.17 -0.11 0.00 0.50 0.00 0.00 28.75 29.80 2jmw h GLU 91 CO -0.13 -0.51 -0.56 2.41 -1.00 0.00 0.00 179.01 179.22 2jmw n THR 92 N -4.85 -0.64 -0.05 1.13 -1.04 0.90 -0.57 114.28 109.16 2jmw n THR 92 Ca -0.09 2.33 -0.08 0.00 -2.04 0.00 0.00 64.05 64.17 2jmw n THR 92 Cb 0.36 -2.89 -0.01 0.00 -1.82 0.00 0.00 70.33 65.97 2jmw n THR 92 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2jmw h ARG 93 N 0.00 -0.20 -0.87 -2.82 9.65 -0.88 -0.39 114.38 118.87 2jmw h ARG 93 Ca 0.15 0.01 0.23 0.00 -1.10 0.00 0.00 59.98 59.27 2jmw h ARG 93 Cb 0.39 0.05 -0.14 0.00 -1.39 0.00 0.00 29.97 28.87 2jmw h ARG 93 CO -0.89 -0.13 0.20 1.03 2.80 0.00 0.00 179.97 182.98 2jmw h SER 94 N -0.21 -0.06 -0.12 -3.80 0.87 0.54 0.79 113.55 111.56 2jmw h SER 94 Ca 0.14 0.20 -0.04 0.00 -1.23 0.00 0.00 61.79 60.86 2jmw h SER 94 Cb 0.42 0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.66 2jmw h SER 94 CO -0.37 -0.17 -0.09 0.25 -0.53 0.00 0.00 176.83 175.92 2jmw h LEU 95 N 0.19 0.29 -0.03 2.23 5.85 -0.11 -2.67 115.31 121.07 2jmw h LEU 95 Ca 0.54 -0.45 0.03 0.00 0.84 0.00 0.00 57.88 58.83 2jmw h LEU 95 Cb 1.08 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.97 2jmw h LEU 95 CO -0.67 0.68 -0.51 0.40 -0.34 0.00 0.00 178.44 178.00 2jmw h ILE 96 N -0.09 0.03 0.27 4.05 2.04 0.70 0.75 117.51 125.25 2jmw h ILE 96 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2jmw h ILE 96 Cb 0.59 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 2jmw h ILE 96 CO 0.02 0.00 -0.49 0.24 0.00 0.00 0.00 178.15 177.93 2jmw h MET 97 N -0.64 -0.78 -1.10 2.37 2.86 -1.23 0.05 114.93 116.47 2jmw h MET 97 Ca 0.03 0.05 0.32 0.00 -2.06 0.00 0.00 59.70 58.04 2jmw h MET 97 Cb 0.71 0.18 -0.12 0.00 0.06 0.00 0.00 31.60 32.43 2jmw h MET 97 CO -0.37 -0.52 0.69 0.74 1.06 0.00 0.00 176.91 178.51 2jmw h PHE 98 N -0.81 0.71 0.17 -0.22 0.04 -1.24 0.11 116.94 115.70 2jmw h PHE 98 Ca -0.03 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2jmw h PHE 98 Cb 0.76 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.71 2jmw h PHE 98 CO -0.36 -0.06 -0.08 -0.09 -0.60 0.00 0.00 178.31 177.12 2jmw h ARG 99 N 0.32 -0.23 -0.77 1.51 9.65 0.30 -2.55 114.38 122.61 2jmw h ARG 99 Ca 0.69 0.02 0.16 0.00 -1.10 0.00 0.00 59.98 59.74 2jmw h ARG 99 Cb 1.79 0.05 -0.15 0.00 -1.39 0.00 0.00 29.97 30.27 2jmw h ARG 99 CO -0.41 0.14 -0.16 0.00 2.80 0.00 0.00 179.97 182.34 2jmw h ARG 100 N -0.65 0.01 -0.67 0.20 3.08 0.90 0.48 114.38 117.73 2jmw h ARG 100 Ca -0.02 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 2jmw h ARG 100 Cb 0.47 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 2jmw h ARG 100 CO 0.04 0.01 0.24 0.78 -1.07 0.00 0.00 179.97 179.97 2jmw h GLY 101 N 0.01 1.10 2.00 0.04 0.00 -1.45 -2.34 103.07 102.43 2jmw h GLY 101 Ca 0.38 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 2jmw h GLY 101 CO -0.78 0.59 -0.12 -0.33 0.00 0.00 0.00 176.54 175.90 2jmw h MET 102 N 0.97 0.00 -0.73 4.80 2.86 -0.27 -3.30 114.93 119.25 2jmw h MET 102 Ca 0.22 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.93 2jmw h MET 102 Cb 0.25 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.83 2jmw h MET 102 CO -0.01 0.12 -0.43 -3.47 1.06 0.00 0.00 176.91 174.17 2jmw n ASP 103 N -3.29 -0.78 -0.29 1.22 2.03 0.14 0.67 116.55 116.25 2jmw n ASP 103 Ca 0.00 1.42 0.18 0.00 0.52 0.00 0.00 54.79 56.92 2jmw n ASP 103 Cb 0.35 -0.23 0.35 0.00 -0.72 0.00 0.00 41.12 40.87 2jmw n ASP 103 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jmw n GLY 104 N -1.18 -0.99 0.31 0.27 0.00 -1.24 -0.03 105.19 102.33 2jmw n GLY 104 Ca 0.01 0.80 -0.16 0.00 0.00 0.00 0.00 46.02 46.67 2jmw n GLY 104 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jmw h LEU 105 N 0.00 -0.62 -0.97 0.99 3.38 -0.01 -2.75 115.31 115.33 2jmw h LEU 105 Ca 0.60 -0.03 0.29 0.00 0.09 0.00 0.00 57.88 58.83 2jmw h LEU 105 Cb 1.40 0.16 -0.18 0.00 0.09 0.00 0.00 40.66 42.14 2jmw h LEU 105 CO -0.76 -0.35 0.17 -0.26 0.09 0.00 0.00 178.44 177.33 2jmw h PHE 106 N -0.88 0.20 -0.03 1.13 -1.00 -0.15 0.40 116.94 116.60 2jmw h PHE 106 Ca -0.08 0.06 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 2jmw h PHE 106 Cb 0.62 0.07 -0.00 0.00 3.61 0.00 0.00 35.95 40.25 2jmw h PHE 106 CO -0.01 -0.40 0.01 -0.97 -1.61 0.00 0.00 178.31 175.33 2jmw h ASN 107 N 0.04 0.03 -0.08 2.17 -0.73 -1.29 -2.67 115.58 113.05 2jmw h ASN 107 Ca 0.64 -0.07 -0.06 0.00 1.87 0.00 0.00 56.30 58.69 2jmw h ASN 107 Cb 1.41 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.97 2jmw h ASN 107 CO -0.84 0.09 0.07 1.07 -0.37 0.00 0.00 177.43 177.45 2jmw n THR 108 N -5.04 2.10 -3.63 -3.57 5.66 0.14 -4.70 114.28 105.24 2jmw n THR 108 Ca -0.07 -0.68 -0.01 0.00 -3.05 0.00 0.00 64.05 60.24 2jmw n THR 108 Cb 0.06 -1.45 -0.06 0.00 -1.55 0.00 0.00 70.33 67.33 2jmw n THR 108 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2jmw s SER 109 N 1.65 -0.45 0.05 1.09 0.15 -1.01 -4.99 113.70 110.20 2jmw s SER 109 Ca 0.05 0.71 -0.34 0.00 0.70 0.00 0.00 55.95 57.07 2jmw s SER 109 Cb 0.04 1.21 -0.19 0.00 -1.71 0.00 0.00 66.02 65.38 2jmw s SER 109 CO -0.00 -0.11 1.48 0.50 1.20 0.00 0.00 173.24 176.30 2jmw h LYS 110 N 6.04 -1.19 -6.19 5.44 1.63 -1.84 -3.44 116.57 117.03 2jmw h LYS 110 Ca -0.27 0.08 -0.57 0.00 -0.85 0.00 0.00 60.65 59.04 2jmw h LYS 110 Cb 1.18 0.27 -0.03 0.00 -0.60 0.00 0.00 32.23 33.05 2jmw h LYS 110 CO 0.19 -0.79 -0.31 -1.54 -3.45 0.00 0.00 179.45 173.55 2jmw s SER 111 N -3.91 6.47 -0.32 4.20 1.04 -1.26 -5.01 113.70 114.90 2jmw s SER 111 Ca -0.18 0.56 0.07 0.00 0.48 0.00 0.00 55.95 56.88 2jmw s SER 111 Cb 0.02 -2.08 0.47 0.00 0.10 0.00 0.00 66.02 64.53 2jmw s SER 111 CO 0.54 0.02 1.39 -0.46 0.98 0.00 0.00 173.24 175.71 2jmw n ASN 112 N -0.11 3.72 0.24 7.02 0.23 -1.26 -4.77 115.26 120.34 2jmw n ASN 112 Ca -0.03 -3.80 -0.14 0.00 -0.53 0.00 0.00 54.58 50.08 2jmw n ASN 112 Cb 0.52 -0.55 -0.08 0.00 -2.08 0.00 0.00 39.78 37.59 2jmw n ASN 112 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2jmw h LYS 113 N 1.51 -0.59 -0.79 -3.83 1.57 -1.99 -1.00 116.57 111.44 2jmw h LYS 113 Ca 0.28 0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 59.06 2jmw h LYS 113 Cb 1.41 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.82 2jmw h LYS 113 CO 0.58 -0.29 0.36 1.12 -0.57 0.00 0.00 179.45 180.64 2jmw h HIS 114 N -0.87 1.17 -0.15 -1.35 2.07 -2.00 -2.63 115.15 111.39 2jmw h HIS 114 Ca -0.06 -0.07 0.01 0.00 -2.85 0.00 0.00 60.37 57.40 2jmw h HIS 114 Cb 0.57 -0.36 -0.01 0.00 2.57 0.00 0.00 27.41 30.18 2jmw h HIS 114 CO 0.00 0.86 0.07 -0.07 -3.07 0.00 0.00 177.93 175.73 2jmw h LEU 115 N 1.14 0.10 0.46 6.12 3.38 -1.88 -1.05 115.31 123.58 2jmw h LEU 115 Ca 0.27 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 2jmw h LEU 115 Cb 0.15 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2jmw h LEU 115 CO -0.03 0.08 -0.49 -0.50 0.09 0.00 0.00 178.44 177.59 2jmw h TRP 116 N 0.15 -1.36 -0.99 1.13 -0.00 -0.99 -1.10 115.95 112.79 2jmw h TRP 116 Ca 0.06 0.01 0.18 0.00 -0.00 0.00 0.00 58.89 59.14 2jmw h TRP 116 Cb 0.02 0.53 -0.10 0.00 -0.00 0.00 0.00 29.16 29.61 2jmw h TRP 116 CO -0.10 -0.65 0.62 1.05 -0.00 0.00 0.00 178.44 179.36 2jmw h GLU 117 N -0.97 0.74 0.57 0.49 4.11 -1.40 -1.95 114.58 116.17 2jmw h GLU 117 Ca -0.05 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.31 2jmw h GLU 117 Cb 0.85 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2jmw h GLU 117 CO -0.08 0.49 -0.29 1.96 0.07 0.00 0.00 179.01 181.16 2jmw h GLN 118 N 0.76 -0.76 -0.68 1.06 4.20 -0.53 -2.66 115.11 116.49 2jmw h GLN 118 Ca 0.55 0.05 0.14 0.00 0.06 0.00 0.00 58.65 59.45 2jmw h GLN 118 Cb 0.86 0.17 -0.13 0.00 0.30 0.00 0.00 27.48 28.69 2jmw h GLN 118 CO -0.33 -0.51 -0.17 0.82 -0.67 0.00 0.00 178.83 177.96 2jmw h ILE 119 N -0.79 0.31 -0.45 2.54 2.04 -0.44 0.21 117.51 120.92 2jmw h ILE 119 Ca -0.07 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.87 2jmw h ILE 119 Cb 0.62 0.31 -0.08 0.00 -0.74 0.00 0.00 36.82 36.94 2jmw h ILE 119 CO 0.11 0.00 -0.02 -1.28 0.00 0.00 0.00 178.15 176.96 2jmw h SER 120 N -0.00 -0.24 -0.62 1.72 0.87 -1.32 -1.25 113.55 112.71 2jmw h SER 120 Ca 0.33 0.11 0.10 0.00 -1.23 0.00 0.00 61.79 61.10 2jmw h SER 120 Cb 0.50 0.21 -0.07 0.00 -0.44 0.00 0.00 62.40 62.59 2jmw h SER 120 CO -0.70 -0.08 0.23 0.28 -0.53 0.00 0.00 176.83 176.03 2jmw h SER 121 N 0.09 0.22 -0.29 6.23 0.02 -0.63 0.46 113.55 119.65 2jmw h SER 121 Ca 0.22 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2jmw h SER 121 Cb 0.33 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 2jmw h SER 121 CO -0.39 0.13 0.19 0.11 -1.14 0.00 0.00 176.83 175.72 2jmw h LYS 122 N 0.41 0.40 -0.30 3.45 1.57 -0.65 -1.69 116.57 119.76 2jmw h LYS 122 Ca 0.32 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.95 2jmw h LYS 122 Cb 0.40 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2jmw h LYS 122 CO -0.32 0.28 -0.30 0.52 -0.57 0.00 0.00 179.45 179.06 2jmw h MET 123 N 0.41 0.73 -0.10 3.15 2.86 -0.21 -2.08 114.93 119.70 2jmw h MET 123 Ca 0.11 -0.39 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 2jmw h MET 123 Cb -0.02 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 2jmw h MET 123 CO -0.02 1.01 0.04 -0.09 1.06 0.00 0.00 176.91 178.91 2jmw h ARG 124 N 0.48 0.15 -0.46 1.72 1.12 -0.68 0.85 114.38 117.56 2jmw h ARG 124 Ca 0.05 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.88 2jmw h ARG 124 Cb 0.87 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.78 2jmw h ARG 124 CO 0.07 0.26 0.23 1.05 -3.11 0.00 0.00 179.97 178.48 2jmw h GLU 125 N 0.01 0.64 -0.21 0.20 4.11 -1.36 -2.56 114.58 115.41 2jmw h GLU 125 Ca 0.03 -0.07 -0.18 0.00 0.07 0.00 0.00 59.36 59.22 2jmw h GLU 125 Cb 0.17 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2jmw h GLU 125 CO -0.00 0.49 -0.56 0.87 0.07 0.00 0.00 179.01 179.87 2jmw h LYS 126 N 0.65 0.74 0.00 1.06 1.79 -1.09 -3.47 116.57 116.25 2jmw h LYS 126 Ca 0.16 -0.53 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 2jmw h LYS 126 Cb 0.05 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 2jmw h LYS 126 CO -0.02 1.15 0.00 0.41 -1.08 0.00 0.00 179.45 179.90 2jmw n GLY 127 N 0.52 0.16 2.64 3.86 0.00 0.11 -5.10 105.19 107.38 2jmw n GLY 127 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 2jmw n GLY 127 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jmw s PHE 128 N -0.23 0.02 -0.73 1.61 0.08 0.27 -4.97 117.98 114.02 2jmw s PHE 128 Ca 0.00 -0.35 -0.24 0.00 0.12 0.00 0.00 56.93 56.46 2jmw s PHE 128 Cb 0.00 -0.65 0.06 0.00 -0.57 0.00 0.00 43.02 41.87 2jmw s PHE 128 CO 0.00 -0.70 1.11 0.16 -0.10 0.00 0.00 175.22 175.69 2jmw s ASP 129 N 2.21 6.23 0.03 1.36 -4.77 -1.26 -2.12 116.67 118.34 2jmw s ASP 129 Ca 0.07 -0.95 0.01 0.00 -3.30 0.00 0.00 52.55 48.37 2jmw s ASP 129 Cb -0.16 -2.47 -0.02 0.00 -1.09 0.00 0.00 42.92 39.18 2jmw s ASP 129 CO -0.23 -1.54 -0.05 -0.13 0.70 0.00 0.00 175.17 173.93 2jmw s ARG 130 N 4.53 0.40 0.58 2.11 1.81 -1.26 -5.07 118.95 122.05 2jmw s ARG 130 Ca 0.29 -0.69 -0.15 0.00 -1.72 0.00 0.00 55.73 53.46 2jmw s ARG 130 Cb -0.12 -0.02 -0.04 0.00 -0.45 0.00 0.00 34.95 34.32 2jmw s ARG 130 CO 0.08 -0.02 1.04 -1.12 -0.68 0.00 0.00 175.30 174.60 2jmw s SER 131 N -1.57 6.01 0.16 0.23 0.01 -1.26 -4.90 113.70 112.38 2jmw s SER 131 Ca -0.13 1.70 -0.08 0.00 1.31 0.00 0.00 55.95 58.75 2jmw s SER 131 Cb -0.09 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.64 2jmw s SER 131 CO -0.01 -1.01 1.50 1.55 0.41 0.00 0.00 173.24 175.69 2jmw h PRO 132 N 0.42 0.85 -0.16 12.44 0.13 -1.93 -3.07 132.00 140.69 2jmw h PRO 132 Ca -0.46 -0.44 -0.06 0.00 -0.87 0.00 0.00 66.00 64.16 2jmw h PRO 132 Cb 1.21 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2jmw h PRO 132 CO 0.59 1.09 -0.16 1.79 -0.23 0.00 0.00 178.00 181.07 2jmw h THR 133 N 0.69 1.20 -0.30 1.56 1.35 -1.94 -2.50 112.91 112.98 2jmw h THR 133 Ca 0.06 -0.88 -0.02 0.00 -0.55 0.00 0.00 66.41 65.01 2jmw h THR 133 Cb 0.96 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 2jmw h THR 133 CO 0.09 0.27 0.09 0.24 -0.25 0.00 0.00 175.52 175.96 2jmw h MET 134 N 0.24 0.46 -0.75 4.72 2.86 -1.93 -2.46 114.93 118.07 2jmw h MET 134 Ca 0.05 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 2jmw h MET 134 Cb 0.43 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 2jmw h MET 134 CO 0.03 0.52 0.26 0.00 1.06 0.00 0.00 176.91 178.77 2jmw h THR 136 N 1.10 0.16 -0.17 0.00 2.02 -1.28 0.95 112.91 115.69 2jmw h THR 136 Ca 0.24 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 2jmw h THR 136 Cb 0.27 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 2jmw h THR 136 CO -0.01 0.00 0.07 -0.78 0.37 0.00 0.00 175.52 175.17 2jmw h ASP 137 N -0.99 0.24 -0.54 4.18 3.58 -1.41 -2.72 116.42 118.75 2jmw h ASP 137 Ca -0.08 -0.15 0.10 0.00 0.42 0.00 0.00 57.03 57.33 2jmw h ASP 137 Cb 0.82 -0.06 -0.08 0.00 1.72 0.00 0.00 39.33 41.72 2jmw h ASP 137 CO 0.06 0.32 0.08 0.50 -2.88 0.00 0.00 179.24 177.31 2jmw h LYS 138 N 0.14 0.20 -0.02 0.28 1.63 -0.86 -2.05 116.57 115.88 2jmw h LYS 138 Ca 0.06 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.88 2jmw h LYS 138 Cb 0.15 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.70 2jmw h LYS 138 CO -0.01 0.13 -0.18 2.35 -3.45 0.00 0.00 179.45 178.29 2jmw h TRP 139 N 0.20 -0.47 -0.99 1.91 2.91 -0.65 -1.72 115.95 117.14 2jmw h TRP 139 Ca 0.28 0.02 0.25 0.00 1.13 0.00 0.00 58.89 60.56 2jmw h TRP 139 Cb 0.41 0.21 -0.13 0.00 -0.51 0.00 0.00 29.16 29.14 2jmw h TRP 139 CO -0.27 -0.26 0.57 0.00 -1.03 0.00 0.00 178.44 177.45 2jmw h ARG 140 N -0.29 0.53 -0.23 2.65 3.08 -1.07 0.59 114.38 119.64 2jmw h ARG 140 Ca 0.06 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2jmw h ARG 140 Cb 0.37 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2jmw h ARG 140 CO -0.18 0.35 0.09 -0.97 -1.07 0.00 0.00 179.97 178.19 2jmw h ASN 141 N 0.55 0.32 -0.67 7.04 -1.24 -0.89 -2.70 115.58 117.99 2jmw h ASN 141 Ca 0.64 -0.16 0.11 0.00 0.71 0.00 0.00 56.30 57.60 2jmw h ASN 141 Cb 1.22 -0.08 -0.08 0.00 0.73 0.00 0.00 38.32 40.11 2jmw h ASN 141 CO -0.49 0.40 0.26 -0.07 -1.29 0.00 0.00 177.43 176.24 2jmw h LEU 142 N 0.23 0.24 -0.04 0.34 3.38 -0.39 -1.88 115.31 117.19 2jmw h LEU 142 Ca 0.08 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.16 2jmw h LEU 142 Cb 0.18 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2jmw h LEU 142 CO -0.01 0.12 -0.06 -0.07 0.09 0.00 0.00 178.44 178.52 2jmw h LEU 143 N 0.42 -0.18 -0.84 1.67 3.38 -1.24 0.15 115.31 118.69 2jmw h LEU 143 Ca 0.35 0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.55 2jmw h LEU 143 Cb 0.48 0.09 -0.12 0.00 0.09 0.00 0.00 40.66 41.20 2jmw h LEU 143 CO -0.35 -0.08 0.31 0.50 0.09 0.00 0.00 178.44 178.90 2jmw h LYS 144 N -0.08 0.34 -0.09 1.13 1.63 -1.03 -0.66 116.57 117.81 2jmw h LYS 144 Ca 0.04 -0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.70 2jmw h LYS 144 Cb 0.14 -0.08 0.01 0.00 -0.60 0.00 0.00 32.23 31.70 2jmw h LYS 144 CO -0.09 0.23 -0.42 0.93 -3.45 0.00 0.00 179.45 176.65 2jmw h GLU 145 N 0.35 0.44 -0.96 1.90 4.39 -1.03 -3.06 114.58 116.60 2jmw h GLU 145 Ca 0.50 -0.35 0.25 0.00 0.34 0.00 0.00 59.36 60.10 2jmw h GLU 145 Cb 0.92 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.58 2jmw h GLU 145 CO -0.52 0.99 0.66 0.74 -1.16 0.00 0.00 179.01 179.71 2jmw h PHE 146 N -0.01 0.31 -0.04 4.33 0.04 0.73 0.21 116.94 122.51 2jmw h PHE 146 Ca -0.03 0.01 -0.25 0.00 2.80 0.00 0.00 57.97 60.51 2jmw h PHE 146 Cb 1.06 -0.09 0.01 0.00 2.20 0.00 0.00 35.95 39.13 2jmw h PHE 146 CO 0.12 0.06 -0.95 0.87 -0.60 0.00 0.00 178.31 177.81 2jmw h LYS 147 N 0.21 0.68 -0.94 1.51 1.79 -1.22 -3.17 116.57 115.43 2jmw h LYS 147 Ca 0.49 -0.67 -0.28 0.00 -2.18 0.00 0.00 60.65 58.01 2jmw h LYS 147 Cb 1.56 0.18 -0.17 0.00 -1.58 0.00 0.00 32.23 32.22 2jmw h LYS 147 CO -0.12 1.27 0.35 1.63 -1.08 0.00 0.00 179.45 181.49 2jmw n LYS 148 N -3.86 2.20 -0.96 3.15 5.02 0.59 -4.45 118.16 119.85 2jmw n LYS 148 Ca -0.09 -2.04 -0.27 0.00 -2.02 0.00 0.00 58.31 53.89 2jmw n LYS 148 Cb 0.83 -1.84 0.23 0.00 -0.02 0.00 0.00 35.03 34.24 2jmw n LYS 148 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jmw n ALA 149 N -0.40 -3.08 -0.30 7.82 0.00 -0.33 -4.85 120.51 119.37 2jmw n ALA 149 Ca 0.36 -1.48 0.16 0.00 0.00 0.00 0.00 53.44 52.47 2jmw n ALA 149 Cb 1.21 -0.10 0.30 0.00 0.00 0.00 0.00 19.45 20.86 2jmw n ALA 149 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2jmw n LYS 150 N -4.52 -0.07 -1.06 0.00 2.85 -1.26 -4.56 118.16 109.54 2jmw n LYS 150 Ca 0.14 1.29 -0.36 0.00 -1.05 0.00 0.00 58.31 58.33 2jmw n LYS 150 Cb 0.53 -2.10 -0.02 0.00 -0.65 0.00 0.00 35.03 32.79 2jmw n LYS 150 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2jmw n HIS 151 N -5.22 -0.46 0.00 5.58 8.25 -1.26 -4.84 115.22 117.27 2jmw n HIS 151 Ca 0.23 0.72 -0.02 0.00 -0.26 0.00 0.00 57.72 58.39 2jmw n HIS 151 Cb 0.76 -1.49 -0.01 0.00 1.12 0.00 0.00 29.99 30.37 2jmw n HIS 151 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2jmw h HIS 152 N 0.73 -0.23 -1.66 4.41 2.76 -1.96 -3.46 115.15 115.74 2jmw h HIS 152 Ca -0.22 0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.04 2jmw h HIS 152 Cb 1.10 0.10 -0.25 0.00 1.55 0.00 0.00 27.41 29.91 2jmw h HIS 152 CO 0.31 -0.08 0.30 -0.51 -1.30 0.00 0.00 177.93 176.65 2jmw s ASP 153 N -2.88 -0.61 -0.40 3.26 1.01 -1.26 -5.02 116.67 110.76 2jmw s ASP 153 Ca -0.02 1.00 0.05 0.00 0.71 0.00 0.00 52.55 54.28 2jmw s ASP 153 Cb 0.01 1.23 0.45 0.00 1.01 0.00 0.00 42.92 45.62 2jmw s ASP 153 CO 0.09 -0.16 1.39 0.54 0.21 0.00 0.00 175.17 177.24 2jmw n ARG 154 N 3.71 3.38 0.00 8.23 3.00 -1.26 -5.01 116.66 128.70 2jmw n ARG 154 Ca -0.18 -4.00 0.00 0.00 -0.01 0.00 0.00 57.85 53.66 2jmw n ARG 154 Cb 0.58 -2.28 0.00 0.00 0.00 0.00 0.00 32.46 30.76 2jmw n ARG 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jmw n GLY 155 N -0.73 -0.95 0.15 -0.13 0.00 -1.26 -5.01 105.19 97.27 2jmw n GLY 155 Ca 0.48 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 46.22 2jmw n GLY 155 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2jmw h ASN 156 N 0.00 0.75 0.00 1.61 -1.24 -2.03 -3.48 115.58 111.19 2jmw h ASN 156 Ca 0.00 -0.89 0.00 0.00 0.71 0.00 0.00 56.30 56.12 2jmw h ASN 156 Cb 0.00 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 38.81 2jmw h ASN 156 CO 0.00 1.58 0.00 0.61 -1.29 0.00 0.00 177.43 178.33 2jmw n GLY 157 N 1.58 2.02 3.61 1.57 0.00 -1.26 -4.87 105.19 107.83 2jmw n GLY 157 Ca -0.15 0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 2jmw n GLY 157 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jmw n SER 158 N 10.75 -4.55 -0.06 1.61 7.64 -1.26 -4.93 113.62 122.83 2jmw n SER 158 Ca 0.00 -0.62 -0.17 0.00 1.01 0.00 0.00 58.87 59.09 2jmw n SER 158 Cb 0.00 -4.81 -0.13 0.00 -1.01 0.00 0.00 64.21 58.26 2jmw n SER 158 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmw h ALA 159 N 0.97 0.04 -1.12 -0.43 0.00 -2.04 -3.46 119.26 113.23 2jmw h ALA 159 Ca -0.58 -0.68 -0.80 0.00 0.00 0.00 0.00 54.91 52.85 2jmw h ALA 159 Cb 1.36 0.17 0.04 0.00 0.00 0.00 0.00 17.79 19.36 2jmw h ALA 159 CO 0.56 0.22 0.34 1.63 0.00 0.00 0.00 179.25 182.00 2jmw n LYS 160 N -4.47 0.21 -4.25 0.00 4.01 -1.26 -4.95 118.16 107.44 2jmw n LYS 160 Ca -0.15 0.08 -0.22 0.00 -0.51 0.00 0.00 58.31 57.51 2jmw n LYS 160 Cb 0.58 -1.61 -0.12 0.00 -0.51 0.00 0.00 35.03 33.38 2jmw n LYS 160 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 2jmw s MET 161 N 1.16 1.04 0.43 1.97 1.75 -1.26 -5.16 119.30 119.24 2jmw s MET 161 Ca 0.95 -1.14 0.05 0.00 -1.25 0.00 0.00 55.69 54.31 2jmw s MET 161 Cb -1.29 -1.18 0.01 0.00 2.84 0.00 0.00 34.83 35.21 2jmw s MET 161 CO 0.64 0.26 0.60 -1.12 -0.65 0.00 0.00 175.02 174.75 2jmw s SER 162 N -1.99 5.67 0.26 1.11 0.01 -1.26 -5.13 113.70 112.36 2jmw s SER 162 Ca 0.05 -0.20 0.03 0.00 1.31 0.00 0.00 55.95 57.14 2jmw s SER 162 Cb -0.09 -0.93 -0.05 0.00 0.21 0.00 0.00 66.02 65.15 2jmw s SER 162 CO 0.04 -0.76 0.05 -0.72 0.41 0.00 0.00 173.24 172.26 2jmw s TYR 163 N -2.42 1.62 0.39 2.43 1.13 -1.26 -5.17 117.35 114.07 2jmw s TYR 163 Ca 0.52 -1.03 0.07 0.00 -1.41 0.00 0.00 57.07 55.22 2jmw s TYR 163 Cb -0.10 -0.98 0.00 0.00 -1.10 0.00 0.00 41.96 39.79 2jmw s TYR 163 CO 0.34 -0.15 0.53 -0.47 -2.51 0.00 0.00 175.55 173.30 2jmw s TYR 164 N -3.53 2.94 0.83 -3.49 5.04 -1.26 -5.12 117.35 112.76 2jmw s TYR 164 Ca 0.33 -0.31 -0.09 0.00 -2.44 0.00 0.00 57.07 54.57 2jmw s TYR 164 Cb 0.07 -2.22 0.15 0.00 0.35 0.00 0.00 41.96 40.31 2jmw s TYR 164 CO 0.12 -0.26 1.15 -1.59 -1.34 0.00 0.00 175.55 173.63 2jmw s LYS 165 N -4.29 1.24 0.00 4.97 -2.85 -1.26 -5.36 119.74 112.19 2jmw s LYS 165 Ca 0.51 -0.69 0.00 0.00 -1.00 0.00 0.00 55.97 54.79 2jmw s LYS 165 Cb -0.10 -2.08 0.00 0.00 -2.06 0.00 0.00 37.83 33.59 2jmw s LYS 165 CO 0.32 -1.88 0.00 -1.91 0.10 0.00 0.00 175.35 171.98