#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wnu s GLN 93 N 0.00 3.63 -0.58 1.09 1.11 -1.26 -5.00 119.66 118.65 2wnu s GLN 93 Ca 0.00 -2.15 -0.23 0.00 0.01 0.00 0.00 55.36 53.00 2wnu s GLN 93 Cb 0.00 -4.68 0.06 0.00 -1.01 0.00 0.00 33.01 27.37 2wnu s GLN 93 CO 0.00 -1.53 0.89 0.15 0.01 0.00 0.00 175.29 174.81 2wnu s LYS 94 N 1.38 3.21 -0.22 2.91 1.02 -1.26 -4.97 119.74 121.80 2wnu s LYS 94 Ca 0.26 -0.61 -0.00 0.00 0.02 0.00 0.00 55.97 55.64 2wnu s LYS 94 Cb -0.07 -4.13 0.06 0.00 -0.52 0.00 0.00 37.83 33.17 2wnu s LYS 94 CO -0.09 -1.57 -0.02 0.42 -0.92 0.00 0.00 175.35 173.17 2wnu s ILE 95 N 3.74 1.20 -0.05 2.17 1.01 -1.26 -3.98 121.20 124.02 2wnu s ILE 95 Ca 0.24 -1.01 -0.23 0.00 0.00 0.00 0.00 60.65 59.65 2wnu s ILE 95 Cb -0.16 -1.55 0.05 0.00 0.01 0.00 0.00 42.46 40.82 2wnu s ILE 95 CO 0.14 -0.14 0.52 0.00 0.00 0.00 0.00 174.94 175.45 2wnu s ALA 96 N 1.55 -1.33 -0.08 9.38 0.00 -1.17 -1.34 121.76 128.77 2wnu s ALA 96 Ca -0.04 0.92 -0.11 0.00 0.00 0.00 0.00 51.96 52.73 2wnu s ALA 96 Cb -0.18 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 22.93 2wnu s ALA 96 CO -0.07 -0.32 0.28 -0.59 0.00 0.00 0.00 175.76 175.07 2wnu s PHE 97 N -1.14 -0.26 -0.05 0.00 -0.12 0.23 -1.07 117.98 115.57 2wnu s PHE 97 Ca -0.11 0.59 -0.02 0.00 -0.05 0.00 0.00 56.93 57.34 2wnu s PHE 97 Cb -0.02 0.09 0.03 0.00 -0.63 0.00 0.00 43.02 42.49 2wnu s PHE 97 CO 0.07 -0.22 0.04 -1.12 -0.05 0.00 0.00 175.22 173.94 2wnu s SER 98 N -0.31 1.26 -0.01 1.98 0.01 0.38 -0.85 113.70 116.15 2wnu s SER 98 Ca -0.04 0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.26 2wnu s SER 98 Cb -0.03 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.96 2wnu s SER 98 CO 0.01 -0.23 -0.05 0.00 0.41 0.00 0.00 173.24 173.39 2wnu s ALA 99 N 2.07 0.46 0.17 1.44 0.00 -0.18 0.07 121.76 125.79 2wnu s ALA 99 Ca 0.05 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 51.89 2wnu s ALA 99 Cb -0.12 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 2wnu s ALA 99 CO -0.04 0.08 0.18 0.95 0.00 0.00 0.00 175.76 176.93 2wnu s THR 100 N 0.12 4.69 -0.26 0.00 -4.23 0.14 -0.75 115.64 115.34 2wnu s THR 100 Ca -0.01 -1.01 -0.16 0.00 -1.18 0.00 0.00 61.69 59.33 2wnu s THR 100 Cb -0.05 -3.41 -0.03 0.00 1.34 0.00 0.00 72.50 70.35 2wnu s THR 100 CO -0.00 -0.12 0.43 -0.60 -0.54 0.00 0.00 174.62 173.79 2wnu s ARG 101 N -3.18 4.05 -0.00 3.99 3.52 -0.41 -0.87 118.95 126.05 2wnu s ARG 101 Ca 0.32 0.17 0.03 0.00 -0.13 0.00 0.00 55.73 56.11 2wnu s ARG 101 Cb -0.10 -3.64 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 2wnu s ARG 101 CO 0.25 -0.28 0.06 0.25 -0.81 0.00 0.00 175.30 174.76 2wnu n THR 102 N 5.05 0.01 -1.65 4.11 -2.24 -1.26 -4.10 114.28 114.20 2wnu n THR 102 Ca -0.07 -0.06 -0.57 0.00 -2.27 0.00 0.00 64.05 61.08 2wnu n THR 102 Cb 0.50 0.38 -0.07 0.00 -2.10 0.00 0.00 70.33 69.04 2wnu n THR 102 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2wnu n ILE 103 N -1.61 0.12 -3.06 2.28 2.08 -1.26 -4.84 119.36 113.08 2wnu n ILE 103 Ca -0.01 -0.02 -0.42 0.00 0.56 0.00 0.00 62.75 62.86 2wnu n ILE 103 Cb 0.09 -0.84 0.00 0.00 -0.75 0.00 0.00 39.64 38.14 2wnu n ILE 103 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 2wnu n ASN 104 N 3.74 6.20 -3.71 4.38 5.15 -1.26 -4.80 115.26 124.96 2wnu n ASN 104 Ca 0.23 -3.39 -0.14 0.00 -0.60 0.00 0.00 54.58 50.68 2wnu n ASN 104 Cb 0.12 -1.24 -0.14 0.00 -0.53 0.00 0.00 39.78 37.99 2wnu n ASN 104 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2wnu s VAL 105 N -2.69 -0.16 0.88 3.44 1.01 -1.26 -5.16 120.40 116.46 2wnu s VAL 105 Ca 0.32 0.23 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 2wnu s VAL 105 Cb 0.05 -0.33 0.11 0.00 0.00 0.00 0.00 36.38 36.21 2wnu s VAL 105 CO 0.09 0.10 1.10 -2.65 0.00 0.00 0.00 175.10 173.73 2wnu n PRO 106 N 4.69 -0.22 -3.75 2.72 -0.02 -1.26 -4.99 135.00 132.16 2wnu n PRO 106 Ca -0.17 0.01 -0.36 0.00 -2.02 0.00 0.00 63.50 60.95 2wnu n PRO 106 Cb 0.51 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 2wnu n PRO 106 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wnu s LEU 107 N -5.73 4.40 0.07 2.45 1.43 -1.26 -5.10 118.68 114.94 2wnu s LEU 107 Ca 0.68 0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 54.37 2wnu s LEU 107 Cb -0.25 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.50 2wnu s LEU 107 CO 0.56 0.33 0.25 0.00 0.23 0.00 0.00 176.35 177.72 2wnu s ARG 108 N -1.34 3.49 0.07 1.70 1.04 -1.26 -4.90 118.95 117.74 2wnu s ARG 108 Ca 0.22 -0.33 -0.37 0.00 -1.04 0.00 0.00 55.73 54.20 2wnu s ARG 108 Cb -0.13 -3.00 -0.17 0.00 -2.04 0.00 0.00 34.95 29.60 2wnu s ARG 108 CO 0.11 0.58 1.26 -2.13 -0.04 0.00 0.00 175.30 175.08 2wnu n ARG 109 N 0.32 0.86 -1.05 3.89 0.63 -1.25 -1.76 116.66 118.30 2wnu n ARG 109 Ca -0.05 0.31 -0.02 0.00 -0.92 0.00 0.00 57.85 57.17 2wnu n ARG 109 Cb 0.51 -1.91 -0.01 0.00 0.45 0.00 0.00 32.46 31.51 2wnu n ARG 109 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2wnu n ASP 110 N 2.25 -4.26 -4.76 6.15 8.00 -0.58 -4.95 116.55 118.40 2wnu n ASP 110 Ca 0.19 0.04 -0.40 0.00 0.71 0.00 0.00 54.79 55.33 2wnu n ASP 110 Cb 0.17 -1.90 -0.05 0.00 -0.02 0.00 0.00 41.12 39.31 2wnu n ASP 110 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2wnu s GLN 111 N -1.20 4.53 0.03 -1.24 0.74 -0.72 -4.78 119.66 117.03 2wnu s GLN 111 Ca 0.00 1.12 -0.30 0.00 0.05 0.00 0.00 55.36 56.23 2wnu s GLN 111 Cb 0.00 -3.31 -0.08 0.00 1.10 0.00 0.00 33.01 30.72 2wnu s GLN 111 CO 0.00 0.43 1.74 0.99 -0.55 0.00 0.00 175.29 177.90 2wnu s THR 112 N -0.62 3.13 -0.28 -0.34 2.01 -1.26 -0.65 115.64 117.62 2wnu s THR 112 Ca 0.37 0.40 -0.29 0.00 0.31 0.00 0.00 61.69 62.48 2wnu s THR 112 Cb -0.22 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.03 2wnu s THR 112 CO 0.25 -0.02 1.29 -0.63 -0.69 0.00 0.00 174.62 174.82 2wnu s ILE 113 N 3.42 4.18 -0.13 1.82 1.01 0.99 -4.91 121.20 127.57 2wnu s ILE 113 Ca 0.78 1.34 -0.18 0.00 0.00 0.00 0.00 60.65 62.58 2wnu s ILE 113 Cb -0.39 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 37.89 2wnu s ILE 113 CO 0.34 -0.43 0.49 -0.60 0.00 0.00 0.00 174.94 174.73 2wnu s ARG 114 N 4.06 4.32 -0.54 2.79 3.52 -1.26 -4.63 118.95 127.21 2wnu s ARG 114 Ca 0.55 0.45 -0.05 0.00 -0.13 0.00 0.00 55.73 56.56 2wnu s ARG 114 Cb -0.17 -3.46 0.14 0.00 -1.56 0.00 0.00 34.95 29.90 2wnu s ARG 114 CO 0.22 0.10 0.37 -0.06 -0.81 0.00 0.00 175.30 175.12 2wnu s PHE 115 N 0.80 3.49 -0.33 5.12 0.40 -1.26 -4.66 117.98 121.55 2wnu s PHE 115 Ca 0.26 -2.38 0.21 0.00 -0.60 0.00 0.00 56.93 54.41 2wnu s PHE 115 Cb -0.15 -3.32 0.31 0.00 0.51 0.00 0.00 43.02 40.36 2wnu s PHE 115 CO 0.10 -0.93 1.58 0.38 0.70 0.00 0.00 175.22 177.06 2wnu h ASP 116 N 7.71 0.00 -3.62 1.36 2.03 -1.52 -3.41 116.42 118.97 2wnu h ASP 116 Ca -0.08 0.00 -0.69 0.00 -0.73 0.00 0.00 57.03 55.52 2wnu h ASP 116 Cb 1.01 0.00 -0.26 0.00 -0.83 0.00 0.00 39.33 39.26 2wnu h ASP 116 CO 0.75 0.15 -0.56 -2.28 -1.03 0.00 0.00 179.24 176.26 2wnu s HIS 117 N -3.16 3.22 -0.17 4.15 5.04 -0.05 -4.88 115.29 119.44 2wnu s HIS 117 Ca 0.06 -1.03 -0.21 0.00 -1.54 0.00 0.00 55.06 52.34 2wnu s HIS 117 Cb 0.06 -2.35 -0.03 0.00 0.04 0.00 0.00 32.58 30.30 2wnu s HIS 117 CO 0.69 -0.63 0.62 0.54 -2.34 0.00 0.00 174.74 173.62 2wnu s VAL 118 N 1.51 5.04 -0.17 0.89 0.11 -1.26 0.24 120.40 126.76 2wnu s VAL 118 Ca 0.02 1.19 -0.16 0.00 -2.93 0.00 0.00 61.98 60.10 2wnu s VAL 118 Cb -0.19 -3.94 -0.22 0.00 -1.53 0.00 0.00 36.38 30.50 2wnu s VAL 118 CO 0.05 0.15 0.29 0.40 -3.33 0.00 0.00 175.10 172.66 2wnu h ILE 119 N 5.08 0.80 -3.49 7.04 2.04 -0.74 -3.49 117.51 124.75 2wnu h ILE 119 Ca -0.34 -2.25 -0.20 0.00 1.00 0.00 0.00 64.86 63.07 2wnu h ILE 119 Cb 1.15 2.34 -0.27 0.00 -0.74 0.00 0.00 36.82 39.31 2wnu h ILE 119 CO 0.77 0.56 -0.60 -0.89 0.00 0.00 0.00 178.15 177.98 2wnu s THR 120 N -2.45 0.00 -0.42 -0.27 2.01 -0.72 -4.94 115.64 108.85 2wnu s THR 120 Ca -0.26 -0.01 0.08 0.00 0.31 0.00 0.00 61.69 61.82 2wnu s THR 120 Cb 0.06 -0.15 0.36 0.00 0.01 0.00 0.00 72.50 72.78 2wnu s THR 120 CO 0.67 -0.00 1.21 -3.20 -0.69 0.00 0.00 174.62 172.60 2wnu n ASN 121 N 3.01 -1.80 -4.71 3.53 5.15 -1.23 -0.47 115.26 118.74 2wnu n ASN 121 Ca -0.12 -3.02 -0.42 0.00 -0.60 0.00 0.00 54.58 50.41 2wnu n ASN 121 Cb 0.59 1.25 -0.03 0.00 -0.53 0.00 0.00 39.78 41.06 2wnu n ASN 121 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2wnu s MET 122 N -0.06 4.18 0.00 1.20 -1.94 -0.23 -1.96 119.30 120.48 2wnu s MET 122 Ca 0.23 2.45 0.00 0.00 -1.71 0.00 0.00 55.69 56.66 2wnu s MET 122 Cb 0.35 -3.20 0.00 0.00 2.01 0.00 0.00 34.83 33.99 2wnu s MET 122 CO -0.07 -0.68 0.00 -1.71 -0.01 0.00 0.00 175.02 172.56 2wnu n ASN 123 N 4.24 0.00 -3.91 3.03 4.05 -1.26 -3.02 115.26 118.39 2wnu n ASN 123 Ca 0.15 0.00 -0.29 0.00 0.45 0.00 0.00 54.58 54.89 2wnu n ASN 123 Cb 0.38 0.00 0.02 0.00 1.23 0.00 0.00 39.78 41.41 2wnu n ASN 123 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 2wnu n ASN 124 N 0.00 -3.96 -0.01 1.20 5.15 -0.83 -4.88 115.26 111.93 2wnu n ASN 124 Ca 0.00 -0.81 0.12 0.00 -0.60 0.00 0.00 54.58 53.29 2wnu n ASN 124 Cb 0.00 -3.79 0.20 0.00 -0.53 0.00 0.00 39.78 35.66 2wnu n ASN 124 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2wnu n ASN 125 N -2.86 0.59 -4.82 1.20 3.02 -1.26 -4.81 115.26 106.31 2wnu n ASN 125 Ca -0.02 -0.38 -0.36 0.00 -0.03 0.00 0.00 54.58 53.79 2wnu n ASN 125 Cb 0.55 0.35 -0.07 0.00 -0.61 0.00 0.00 39.78 40.01 2wnu n ASN 125 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2wnu s TYR 126 N -2.99 3.54 -0.35 3.10 5.04 -1.26 -0.41 117.35 124.02 2wnu s TYR 126 Ca 0.11 0.50 -0.07 0.00 -2.44 0.00 0.00 57.07 55.17 2wnu s TYR 126 Cb 0.17 -2.05 0.05 0.00 0.35 0.00 0.00 41.96 40.48 2wnu s TYR 126 CO 0.72 0.57 0.13 -2.00 -1.34 0.00 0.00 175.55 173.63 2wnu s GLU 127 N -0.52 2.60 0.53 4.97 2.56 -0.14 -4.97 118.70 123.73 2wnu s GLU 127 Ca 0.13 -1.24 0.21 0.00 0.00 0.00 0.00 54.97 54.08 2wnu s GLU 127 Cb -0.12 -3.52 1.41 0.00 2.00 0.00 0.00 34.13 33.90 2wnu s GLU 127 CO 0.03 -0.72 2.14 -1.35 -0.56 0.00 0.00 175.26 174.80 2wnu h PRO 128 N 8.25 0.00 0.00 4.30 0.11 -1.87 0.32 132.00 143.10 2wnu h PRO 128 Ca -0.23 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.75 2wnu h PRO 128 Cb 1.08 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2wnu h PRO 128 CO 0.63 0.05 -0.62 0.00 -0.21 0.00 0.00 178.00 177.85 2wnu h ARG 129 N 0.00 0.00 0.00 1.05 3.08 -1.89 -3.36 114.38 113.26 2wnu h ARG 129 Ca -0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 2wnu h ARG 129 Cb 0.10 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 2wnu h ARG 129 CO 0.01 0.62 -2.21 -1.13 -1.07 0.00 0.00 179.97 176.18 2wnu n SER 130 N -3.61 2.25 0.00 7.04 3.41 -0.97 -5.01 113.62 116.72 2wnu n SER 130 Ca -0.00 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 2wnu n SER 130 Cb 0.66 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 2wnu n SER 130 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wnu n GLY 131 N 2.45 0.83 3.81 5.00 0.00 0.11 -4.36 105.19 113.02 2wnu n GLY 131 Ca -0.37 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 2wnu n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wnu s LYS 132 N -0.80 3.25 -0.07 1.61 1.02 -1.22 -4.56 119.74 118.97 2wnu s LYS 132 Ca 0.00 -0.27 -0.16 0.00 0.02 0.00 0.00 55.97 55.56 2wnu s LYS 132 Cb 0.00 -3.02 -0.05 0.00 -0.52 0.00 0.00 37.83 34.24 2wnu s LYS 132 CO 0.00 0.73 0.44 0.12 -0.92 0.00 0.00 175.35 175.72 2wnu s PHE 133 N -1.02 3.60 -0.19 3.18 5.36 0.25 -0.96 117.98 128.19 2wnu s PHE 133 Ca 0.16 0.92 0.01 0.00 -0.96 0.00 0.00 56.93 57.06 2wnu s PHE 133 Cb -0.12 -2.43 0.03 0.00 -0.34 0.00 0.00 43.02 40.17 2wnu s PHE 133 CO 0.05 0.37 -0.14 0.99 -1.46 0.00 0.00 175.22 175.04 2wnu s THR 134 N -0.11 1.85 0.14 0.12 2.01 0.45 -0.53 115.64 119.57 2wnu s THR 134 Ca 0.24 -1.03 -0.31 0.00 0.31 0.00 0.00 61.69 60.90 2wnu s THR 134 Cb -0.16 -1.82 -0.10 0.00 0.01 0.00 0.00 72.50 70.44 2wnu s THR 134 CO 0.11 0.31 1.65 0.00 -0.69 0.00 0.00 174.62 175.99 2wnu n LYS 136 N 4.67 0.36 -3.58 0.00 5.02 -1.26 -0.45 118.16 122.91 2wnu n LYS 136 Ca 0.15 0.11 -0.41 0.00 -2.02 0.00 0.00 58.31 56.15 2wnu n LYS 136 Cb 0.39 -1.20 -0.10 0.00 -0.02 0.00 0.00 35.03 34.10 2wnu n LYS 136 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2wnu s VAL 137 N -2.30 4.35 0.74 -0.18 1.01 -1.26 -4.71 120.40 118.04 2wnu s VAL 137 Ca -0.21 -1.33 -0.16 0.00 0.00 0.00 0.00 61.98 60.28 2wnu s VAL 137 Cb 0.07 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.82 2wnu s VAL 137 CO 0.32 -0.49 0.92 -0.81 0.00 0.00 0.00 175.10 175.03 2wnu n PRO 138 N 4.95 0.43 -1.10 2.72 -0.04 -1.26 -4.88 135.00 135.81 2wnu n PRO 138 Ca -0.10 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2wnu n PRO 138 Cb 0.43 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 2wnu n PRO 138 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wnu n GLY 139 N 1.13 0.48 3.68 0.55 0.00 0.10 -1.37 105.19 109.76 2wnu n GLY 139 Ca 0.12 -1.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.06 2wnu n GLY 139 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wnu s LEU 140 N 0.00 4.18 0.08 0.99 1.43 0.16 0.80 118.68 126.33 2wnu s LEU 140 Ca 0.00 0.71 0.08 0.00 -1.03 0.00 0.00 54.13 53.88 2wnu s LEU 140 Cb 0.00 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 2wnu s LEU 140 CO 0.00 -0.13 -0.20 -0.31 0.23 0.00 0.00 176.35 175.94 2wnu s TYR 141 N 1.36 1.72 -0.15 0.29 1.51 0.49 0.38 117.35 122.94 2wnu s TYR 141 Ca 0.24 -0.41 -0.03 0.00 -1.01 0.00 0.00 57.07 55.86 2wnu s TYR 141 Cb -0.15 -0.96 -0.03 0.00 -0.11 0.00 0.00 41.96 40.70 2wnu s TYR 141 CO 0.10 0.16 -0.03 -0.47 -1.11 0.00 0.00 175.55 174.20 2wnu s TYR 142 N -1.08 3.05 -0.03 2.71 5.04 -0.05 -0.54 117.35 126.44 2wnu s TYR 142 Ca 0.06 -0.21 0.07 0.00 -2.44 0.00 0.00 57.07 54.55 2wnu s TYR 142 Cb -0.10 -1.94 -0.02 0.00 0.35 0.00 0.00 41.96 40.26 2wnu s TYR 142 CO 0.03 0.04 -0.24 -0.06 -1.34 0.00 0.00 175.55 173.99 2wnu s PHE 143 N 0.18 2.22 0.05 4.97 0.40 0.73 -1.24 117.98 125.29 2wnu s PHE 143 Ca -0.01 -0.50 -0.20 0.00 -0.60 0.00 0.00 56.93 55.62 2wnu s PHE 143 Cb -0.14 -1.44 0.04 0.00 0.51 0.00 0.00 43.02 42.00 2wnu s PHE 143 CO 0.03 -0.09 0.46 -0.08 0.70 0.00 0.00 175.22 176.23 2wnu s THR 144 N -0.43 0.04 0.14 0.64 -1.32 -0.47 -0.11 115.64 114.14 2wnu s THR 144 Ca 0.05 -0.37 -0.17 0.00 -1.21 0.00 0.00 61.69 59.99 2wnu s THR 144 Cb -0.11 -0.97 0.04 0.00 -1.51 0.00 0.00 72.50 69.95 2wnu s THR 144 CO 0.00 -0.20 0.44 -0.72 -2.21 0.00 0.00 174.62 171.93 2wnu s TYR 145 N -2.52 -0.22 -0.07 9.09 -0.85 -0.84 -0.79 117.35 121.16 2wnu s TYR 145 Ca -0.05 -0.09 -0.01 0.00 -0.52 0.00 0.00 57.07 56.40 2wnu s TYR 145 Cb -0.01 0.31 0.03 0.00 0.38 0.00 0.00 41.96 42.67 2wnu s TYR 145 CO -0.03 -0.76 -0.01 -1.01 -1.52 0.00 0.00 175.55 172.23 2wnu s HIS 146 N -3.81 0.72 -0.18 -3.49 3.76 -0.74 -2.81 115.29 108.73 2wnu s HIS 146 Ca 0.04 -0.20 -0.01 0.00 -0.15 0.00 0.00 55.06 54.74 2wnu s HIS 146 Cb 0.01 -0.79 -0.00 0.00 1.11 0.00 0.00 32.58 32.91 2wnu s HIS 146 CO -0.10 -0.31 -0.12 0.00 -0.85 0.00 0.00 174.74 173.36 2wnu s ALA 147 N 1.73 2.60 0.29 -1.40 0.00 0.46 -1.18 121.76 124.27 2wnu s ALA 147 Ca 0.02 -1.11 -0.24 0.00 0.00 0.00 0.00 51.96 50.62 2wnu s ALA 147 Cb -0.13 -1.40 -0.09 0.00 0.00 0.00 0.00 23.12 21.50 2wnu s ALA 147 CO -0.04 -0.22 0.88 -1.12 0.00 0.00 0.00 175.76 175.26 2wnu s SER 148 N 1.11 7.27 0.15 0.00 0.01 -1.21 -0.66 113.70 120.38 2wnu s SER 148 Ca 0.01 1.72 -0.17 0.00 1.31 0.00 0.00 55.95 58.82 2wnu s SER 148 Cb -0.14 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.58 2wnu s SER 148 CO -0.03 -0.03 0.45 -0.55 0.41 0.00 0.00 173.24 173.48 2wnu s SER 149 N -1.61 -0.26 0.00 2.44 0.15 -0.14 -0.80 113.70 113.49 2wnu s SER 149 Ca 0.48 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.77 2wnu s SER 149 Cb -0.18 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 2wnu s SER 149 CO 0.23 -0.92 0.00 -1.14 1.20 0.00 0.00 173.24 172.61 2wnu n ARG 150 N -0.27 4.03 0.00 5.44 0.63 -1.26 -0.75 116.66 124.48 2wnu n ARG 150 Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 2wnu n ARG 150 Cb 0.63 -0.61 0.00 0.00 0.45 0.00 0.00 32.46 32.94 2wnu n ARG 150 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wnu n GLY 151 N 1.31 4.19 3.74 5.14 0.00 -1.26 -3.98 105.19 114.33 2wnu n GLY 151 Ca 0.00 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 2wnu n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wnu s ASN 152 N 1.54 6.61 -0.05 1.61 -0.87 -1.23 -3.80 114.94 118.75 2wnu s ASN 152 Ca 0.00 2.70 -0.02 0.00 -1.57 0.00 0.00 52.86 53.97 2wnu s ASN 152 Cb 0.00 -2.62 0.04 0.00 -0.02 0.00 0.00 41.25 38.65 2wnu s ASN 152 CO 0.00 -0.75 0.09 -0.22 -2.57 0.00 0.00 177.10 173.66 2wnu s LEU 153 N -0.17 0.47 -0.07 0.60 2.96 -1.09 -2.64 118.68 118.75 2wnu s LEU 153 Ca 0.61 0.18 0.04 0.00 -0.22 0.00 0.00 54.13 54.74 2wnu s LEU 153 Cb -0.43 0.09 0.00 0.00 0.50 0.00 0.00 46.19 46.35 2wnu s LEU 153 CO 0.42 -0.19 -0.19 0.00 -1.32 0.00 0.00 176.35 175.07 2wnu s VAL 155 N 0.26 1.88 -0.18 0.00 0.11 -0.30 -3.60 120.40 118.56 2wnu s VAL 155 Ca -0.11 -1.44 -0.06 0.00 -2.93 0.00 0.00 61.98 57.43 2wnu s VAL 155 Cb -0.15 -1.65 -0.03 0.00 -1.53 0.00 0.00 36.38 33.01 2wnu s VAL 155 CO 0.05 0.13 0.03 0.20 -3.33 0.00 0.00 175.10 172.18 2wnu s ASN 156 N -1.58 5.27 -0.22 3.54 0.01 -0.25 -0.67 114.94 121.04 2wnu s ASN 156 Ca 0.09 -0.03 -0.23 0.00 -0.71 0.00 0.00 52.86 51.97 2wnu s ASN 156 Cb -0.10 -1.90 -0.01 0.00 0.41 0.00 0.00 41.25 39.65 2wnu s ASN 156 CO 0.03 0.14 0.76 -0.22 -1.51 0.00 0.00 177.10 176.30 2wnu s LEU 157 N 0.56 4.11 0.08 0.60 2.96 -0.45 -0.73 118.68 125.81 2wnu s LEU 157 Ca 0.01 0.97 0.05 0.00 -0.22 0.00 0.00 54.13 54.93 2wnu s LEU 157 Cb -0.13 -3.08 -0.04 0.00 0.50 0.00 0.00 46.19 43.43 2wnu s LEU 157 CO 0.02 -0.42 -0.02 -0.04 -1.32 0.00 0.00 176.35 174.56 2wnu s MET 158 N 2.49 2.50 -0.00 1.98 -1.94 0.73 -0.38 119.30 124.68 2wnu s MET 158 Ca 0.33 -0.84 -0.06 0.00 -1.71 0.00 0.00 55.69 53.41 2wnu s MET 158 Cb -0.16 -2.51 -0.00 0.00 2.01 0.00 0.00 34.83 34.17 2wnu s MET 158 CO 0.09 0.55 0.11 0.50 -0.01 0.00 0.00 175.02 176.25 2wnu s ARG 159 N -2.17 0.40 0.00 2.03 3.52 -0.01 -2.43 118.95 120.30 2wnu s ARG 159 Ca 0.24 -0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 2wnu s ARG 159 Cb -0.12 0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.44 2wnu s ARG 159 CO 0.16 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 174.97 2wnu n GLY 160 N 1.71 4.32 0.00 8.12 0.00 -1.02 0.12 105.19 118.44 2wnu n GLY 160 Ca -0.21 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2wnu n GLY 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wnu n ARG 161 N -1.78 0.00 -0.04 1.61 1.74 -1.26 -1.88 116.66 115.06 2wnu n ARG 161 Ca 0.00 0.50 -0.21 0.00 -0.77 0.00 0.00 57.85 57.37 2wnu n ARG 161 Cb 0.00 -1.07 -0.13 0.00 -1.02 0.00 0.00 32.46 30.24 2wnu n ARG 161 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 2wnu h GLU 162 N 0.00 0.14 -4.41 5.56 9.09 -1.96 -3.45 114.58 119.55 2wnu h GLU 162 Ca 0.00 -0.25 -0.56 0.00 0.05 0.00 0.00 59.36 58.60 2wnu h GLU 162 Cb 0.00 0.09 -0.37 0.00 -1.65 0.00 0.00 28.75 26.83 2wnu h GLU 162 CO 0.00 1.12 -0.81 0.50 0.05 0.00 0.00 179.01 179.86 2wnu s ARG 163 N -2.43 1.85 0.17 1.06 3.52 -1.26 -5.11 118.95 116.76 2wnu s ARG 163 Ca -0.23 -0.41 -0.30 0.00 -0.13 0.00 0.00 55.73 54.66 2wnu s ARG 163 Cb 0.05 -1.85 -0.08 0.00 -1.56 0.00 0.00 34.95 31.51 2wnu s ARG 163 CO 0.70 -0.27 1.32 0.00 -0.81 0.00 0.00 175.30 176.24 2wnu s ALA 164 N 1.61 3.53 -0.06 6.12 0.00 -1.26 -4.49 121.76 127.21 2wnu s ALA 164 Ca 0.05 1.10 0.05 0.00 0.00 0.00 0.00 51.96 53.15 2wnu s ALA 164 Cb -0.13 -3.49 -0.00 0.00 0.00 0.00 0.00 23.12 19.50 2wnu s ALA 164 CO -0.09 -0.54 -0.20 1.14 0.00 0.00 0.00 175.76 176.06 2wnu s GLN 165 N 0.19 2.21 0.04 0.00 -2.07 0.32 -4.90 119.66 115.45 2wnu s GLN 165 Ca 0.58 -0.72 -0.30 0.00 -1.82 0.00 0.00 55.36 53.10 2wnu s GLN 165 Cb -0.36 -1.84 -0.05 0.00 -1.09 0.00 0.00 33.01 29.67 2wnu s GLN 165 CO 0.36 0.25 1.16 -1.59 -1.32 0.00 0.00 175.29 174.15 2wnu s LYS 166 N 0.10 4.45 -0.14 9.60 -2.85 -1.26 -0.83 119.74 128.82 2wnu s LYS 166 Ca -0.08 1.70 -0.11 0.00 -1.00 0.00 0.00 55.97 56.49 2wnu s LYS 166 Cb -0.14 -3.38 -0.08 0.00 -2.06 0.00 0.00 37.83 32.17 2wnu s LYS 166 CO 0.04 -0.24 0.07 0.28 0.10 0.00 0.00 175.35 175.61 2wnu h VAL 167 N 4.60 0.39 -4.45 1.79 2.07 -1.07 -3.48 116.25 116.09 2wnu h VAL 167 Ca -0.41 -1.37 -0.20 0.00 0.82 0.00 0.00 66.70 65.54 2wnu h VAL 167 Cb 1.21 0.81 -0.15 0.00 -1.52 0.00 0.00 31.29 31.64 2wnu h VAL 167 CO 0.81 0.13 -0.61 0.68 0.02 0.00 0.00 177.57 178.59 2wnu s VAL 168 N -2.02 0.06 -0.07 2.57 -7.23 -1.24 -5.02 120.40 107.45 2wnu s VAL 168 Ca -0.12 -1.91 0.05 0.00 -1.81 0.00 0.00 61.98 58.18 2wnu s VAL 168 Cb 0.01 -2.21 -0.01 0.00 0.56 0.00 0.00 36.38 34.73 2wnu s VAL 168 CO 0.27 -0.27 -0.24 -0.89 -0.31 0.00 0.00 175.10 173.66 2wnu s THR 169 N -4.09 1.98 -0.20 5.32 2.01 -1.26 -1.34 115.64 118.05 2wnu s THR 169 Ca 0.30 -1.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.27 2wnu s THR 169 Cb 0.07 -1.69 0.00 0.00 0.01 0.00 0.00 72.50 70.89 2wnu s THR 169 CO 0.06 0.55 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.08 2wnu s PHE 170 N 0.03 2.89 -0.06 4.92 0.08 0.16 -4.97 117.98 121.03 2wnu s PHE 170 Ca -0.09 -1.17 0.06 0.00 0.12 0.00 0.00 56.93 55.85 2wnu s PHE 170 Cb -0.15 -2.03 -0.01 0.00 -0.57 0.00 0.00 43.02 40.26 2wnu s PHE 170 CO 0.05 -0.62 -0.23 0.00 -0.10 0.00 0.00 175.22 174.32 2wnu s ASP 172 N -0.21 0.95 0.17 0.00 3.68 -0.37 -5.01 116.67 115.89 2wnu s ASP 172 Ca -0.02 0.12 -0.07 0.00 2.13 0.00 0.00 52.55 54.71 2wnu s ASP 172 Cb -0.13 0.46 -0.06 0.00 -1.45 0.00 0.00 42.92 41.73 2wnu s ASP 172 CO 0.03 -0.29 0.45 -0.31 0.13 0.00 0.00 175.17 175.19 2wnu s TYR 173 N 2.35 3.46 -0.08 -5.34 1.51 -1.26 -2.66 117.35 115.34 2wnu s TYR 173 Ca 0.05 0.71 -0.04 0.00 -1.01 0.00 0.00 57.07 56.77 2wnu s TYR 173 Cb -0.14 -2.12 0.04 0.00 -0.11 0.00 0.00 41.96 39.63 2wnu s TYR 173 CO -0.10 0.38 0.17 0.00 -1.11 0.00 0.00 175.55 174.89 2wnu s ALA 174 N -1.70 -0.36 -0.32 3.71 0.00 -1.25 -4.92 121.76 116.92 2wnu s ALA 174 Ca 0.43 0.74 -0.04 0.00 0.00 0.00 0.00 51.96 53.09 2wnu s ALA 174 Cb -0.12 -0.48 0.05 0.00 0.00 0.00 0.00 23.12 22.57 2wnu s ALA 174 CO 0.23 -0.16 0.05 -0.47 0.00 0.00 0.00 175.76 175.41 2wnu s TYR 175 N 1.07 3.27 -1.23 0.00 5.04 -1.26 -3.47 117.35 120.77 2wnu s TYR 175 Ca -0.08 -1.69 -0.12 0.00 -2.44 0.00 0.00 57.07 52.73 2wnu s TYR 175 Cb -0.10 -2.23 -0.01 0.00 0.35 0.00 0.00 41.96 39.98 2wnu s TYR 175 CO -0.06 -0.78 0.69 -1.71 -1.34 0.00 0.00 175.55 172.35 2wnu n ASN 176 N 4.71 -3.48 -3.75 4.32 5.15 -1.26 -4.96 115.26 115.98 2wnu n ASN 176 Ca -0.12 -0.98 -0.04 0.00 -0.60 0.00 0.00 54.58 52.84 2wnu n ASN 176 Cb 0.44 -3.45 -0.01 0.00 -0.53 0.00 0.00 39.78 36.22 2wnu n ASN 176 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2wnu s THR 177 N -3.62 0.00 -0.09 -0.44 -1.32 -1.26 -5.15 115.64 103.77 2wnu s THR 177 Ca 0.29 -0.66 -0.02 0.00 -1.21 0.00 0.00 61.69 60.09 2wnu s THR 177 Cb -0.10 -1.96 -0.03 0.00 -1.51 0.00 0.00 72.50 68.90 2wnu s THR 177 CO 0.86 0.00 0.01 -0.36 -2.21 0.00 0.00 174.62 172.92 2wnu s PHE 178 N -3.31 3.19 0.11 9.09 0.40 -1.26 -4.33 117.98 121.88 2wnu s PHE 178 Ca 0.12 0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.68 2wnu s PHE 178 Cb -0.02 -1.80 -0.04 0.00 0.51 0.00 0.00 43.02 41.67 2wnu s PHE 178 CO 0.02 0.49 -0.05 1.14 0.70 0.00 0.00 175.22 177.52 2wnu s GLN 179 N -0.91 0.89 -0.10 0.44 -2.07 0.07 -5.00 119.66 112.99 2wnu s GLN 179 Ca 0.14 -1.38 0.01 0.00 -1.82 0.00 0.00 55.36 52.31 2wnu s GLN 179 Cb -0.11 -0.22 0.02 0.00 -1.09 0.00 0.00 33.01 31.60 2wnu s GLN 179 CO 0.03 -0.04 -0.12 0.54 -1.32 0.00 0.00 175.29 174.37 2wnu s VAL 180 N -3.63 1.27 0.34 3.63 0.11 -1.26 -0.96 120.40 119.90 2wnu s VAL 180 Ca 0.14 -0.50 0.08 0.00 -2.93 0.00 0.00 61.98 58.77 2wnu s VAL 180 Cb 0.05 -1.19 -0.07 0.00 -1.53 0.00 0.00 36.38 33.64 2wnu s VAL 180 CO -0.03 0.40 -0.04 0.28 -3.33 0.00 0.00 175.10 172.37 2wnu s THR 181 N 1.09 1.93 0.04 5.04 -1.32 0.17 -4.94 115.64 117.65 2wnu s THR 181 Ca -0.06 -2.11 -0.08 0.00 -1.21 0.00 0.00 61.69 58.23 2wnu s THR 181 Cb -0.14 -2.71 -0.00 0.00 -1.51 0.00 0.00 72.50 68.14 2wnu s THR 181 CO -0.02 -0.15 0.17 0.28 -2.21 0.00 0.00 174.62 172.69 2wnu s THR 182 N -2.80 0.12 0.13 5.08 -1.32 -1.26 -0.40 115.64 115.18 2wnu s THR 182 Ca 0.33 -0.97 -0.11 0.00 -1.21 0.00 0.00 61.69 59.72 2wnu s THR 182 Cb 0.05 -0.95 0.01 0.00 -1.51 0.00 0.00 72.50 70.10 2wnu s THR 182 CO 0.16 -0.54 0.29 -0.83 -2.21 0.00 0.00 174.62 171.49 2wnu s GLY 183 N -2.17 0.12 -0.15 6.08 0.00 -1.12 -5.02 107.32 105.06 2wnu s GLY 183 Ca -0.04 -0.55 -0.30 0.00 0.00 0.00 0.00 44.72 43.84 2wnu s GLY 183 CO -0.05 -0.66 0.90 -0.32 0.00 0.00 0.00 173.10 172.98 2wnu s GLY 184 N -2.88 -0.35 -0.28 0.20 0.00 -1.26 -1.98 107.32 100.77 2wnu s GLY 184 Ca 0.09 1.90 -0.19 0.00 0.00 0.00 0.00 44.72 46.51 2wnu s GLY 184 CO -0.07 1.12 0.73 -0.29 0.00 0.00 0.00 173.10 174.59 2wnu s MET 185 N -0.94 0.72 -0.14 2.90 1.75 0.85 -4.98 119.30 119.45 2wnu s MET 185 Ca -0.04 1.09 -0.22 0.00 -1.25 0.00 0.00 55.69 55.28 2wnu s MET 185 Cb -0.01 0.23 -0.03 0.00 2.84 0.00 0.00 34.83 37.86 2wnu s MET 185 CO 0.03 -0.13 0.66 0.08 -0.65 0.00 0.00 175.02 175.01 2wnu s VAL 186 N 1.16 5.04 -0.03 10.11 1.01 -1.26 -0.19 120.40 136.23 2wnu s VAL 186 Ca -0.06 1.29 0.04 0.00 0.00 0.00 0.00 61.98 63.25 2wnu s VAL 186 Cb -0.05 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 2wnu s VAL 186 CO -0.12 0.18 -0.16 -0.76 0.00 0.00 0.00 175.10 174.24 2wnu s LEU 187 N 1.40 1.92 -0.17 3.92 1.43 0.29 -4.98 118.68 122.50 2wnu s LEU 187 Ca 0.32 -0.31 -0.25 0.00 -1.03 0.00 0.00 54.13 52.87 2wnu s LEU 187 Cb -0.16 -0.87 -0.02 0.00 0.03 0.00 0.00 46.19 45.17 2wnu s LEU 187 CO 0.13 0.15 0.80 -0.75 0.23 0.00 0.00 176.35 176.91 2wnu s LYS 188 N -0.03 4.29 -0.05 1.70 2.20 -1.26 -0.38 119.74 126.20 2wnu s LYS 188 Ca -0.01 0.96 0.04 0.00 -0.36 0.00 0.00 55.97 56.60 2wnu s LYS 188 Cb -0.10 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.63 2wnu s LYS 188 CO 0.01 -0.30 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.03 2wnu s LEU 189 N 2.06 2.59 0.21 5.43 1.02 0.24 -4.95 118.68 125.28 2wnu s LEU 189 Ca 0.37 -0.27 0.01 0.00 0.02 0.00 0.00 54.13 54.26 2wnu s LEU 189 Cb -0.17 -1.52 -0.04 0.00 0.02 0.00 0.00 46.19 44.49 2wnu s LEU 189 CO 0.12 0.32 0.38 -1.61 0.02 0.00 0.00 176.35 175.58 2wnu s GLU 190 N -0.58 3.49 0.28 1.70 2.02 -1.26 -0.72 118.70 123.64 2wnu s GLU 190 Ca 0.08 -0.45 -0.30 0.00 0.02 0.00 0.00 54.97 54.32 2wnu s GLU 190 Cb -0.11 -2.85 -0.12 0.00 0.10 0.00 0.00 34.13 31.15 2wnu s GLU 190 CO 0.01 0.40 1.56 0.94 0.02 0.00 0.00 175.26 178.20 2wnu n GLN 191 N -0.85 2.59 0.00 1.61 7.27 -1.26 -2.08 117.38 124.65 2wnu n GLN 191 Ca -0.06 0.92 0.00 0.00 0.07 0.00 0.00 57.00 57.93 2wnu n GLN 191 Cb 0.54 -2.68 0.00 0.00 2.41 0.00 0.00 30.24 30.51 2wnu n GLN 191 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2wnu n GLY 192 N 2.18 2.13 3.75 1.69 0.00 0.40 -5.01 105.19 110.33 2wnu n GLY 192 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2wnu n GLY 192 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wnu s GLU 193 N -0.66 4.47 0.07 1.61 2.02 -0.89 -4.47 118.70 120.86 2wnu s GLU 193 Ca 0.00 1.99 0.07 0.00 0.02 0.00 0.00 54.97 57.05 2wnu s GLU 193 Cb 0.00 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 2wnu s GLU 193 CO 0.00 -0.08 -0.15 0.54 0.02 0.00 0.00 175.26 175.59 2wnu s ASN 194 N -0.23 4.02 -0.08 -0.19 2.20 -0.79 0.11 114.94 119.98 2wnu s ASN 194 Ca 0.51 -0.43 0.03 0.00 -0.94 0.00 0.00 52.86 52.03 2wnu s ASN 194 Cb -0.35 -0.68 0.01 0.00 -2.00 0.00 0.00 41.25 38.22 2wnu s ASN 194 CO 0.42 0.22 -0.18 -0.69 -2.94 0.00 0.00 177.10 173.94 2wnu s VAL 195 N -1.05 1.57 0.21 3.54 1.01 0.31 -2.43 120.40 123.56 2wnu s VAL 195 Ca 0.17 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.24 2wnu s VAL 195 Cb -0.11 -1.39 0.03 0.00 0.00 0.00 0.00 36.38 34.92 2wnu s VAL 195 CO 0.08 0.45 0.55 0.72 0.00 0.00 0.00 175.10 176.91 2wnu s PHE 196 N 0.53 -0.12 -0.16 5.22 -0.12 -1.02 -0.59 117.98 121.73 2wnu s PHE 196 Ca -0.16 -0.23 -0.08 0.00 -0.05 0.00 0.00 56.93 56.41 2wnu s PHE 196 Cb -0.17 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.61 2wnu s PHE 196 CO 0.06 -0.96 0.11 -0.51 -0.05 0.00 0.00 175.22 173.87 2wnu s LEU 197 N -2.88 4.16 -0.07 -1.99 1.43 -1.26 -0.19 118.68 117.88 2wnu s LEU 197 Ca 0.10 0.29 0.04 0.00 -1.03 0.00 0.00 54.13 53.53 2wnu s LEU 197 Cb -0.02 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.17 2wnu s LEU 197 CO -0.01 0.29 -0.19 -1.58 0.23 0.00 0.00 176.35 175.08 2wnu s GLN 198 N -0.30 2.22 0.79 1.70 0.74 0.10 -0.01 119.66 124.90 2wnu s GLN 198 Ca 0.10 -0.68 -0.11 0.00 0.05 0.00 0.00 55.36 54.72 2wnu s GLN 198 Cb -0.12 -1.81 0.07 0.00 1.10 0.00 0.00 33.01 32.25 2wnu s GLN 198 CO 0.01 0.20 1.09 0.00 -0.55 0.00 0.00 175.29 176.04 2wnu s ALA 199 N 0.22 2.14 0.00 1.58 0.00 0.17 -1.09 121.76 124.78 2wnu s ALA 199 Ca -0.10 0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2wnu s ALA 199 Cb -0.14 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2wnu s ALA 199 CO 0.05 -1.84 0.00 0.25 0.00 0.00 0.00 175.76 174.22 2wnu n THR 200 N -3.55 0.00 -0.27 0.00 -2.24 -1.24 -1.53 114.28 105.45 2wnu n THR 200 Ca 0.08 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.90 2wnu n THR 200 Cb 0.54 0.00 0.17 0.00 -2.10 0.00 0.00 70.33 68.94 2wnu n THR 200 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2wnu h ASP 201 N 0.00 0.47 -3.02 3.42 3.58 -1.94 -3.34 116.42 115.58 2wnu h ASP 201 Ca 0.00 0.08 -0.68 0.00 0.42 0.00 0.00 57.03 56.85 2wnu h ASP 201 Cb 0.00 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 40.88 2wnu h ASP 201 CO 0.00 0.23 0.19 -0.54 -2.88 0.00 0.00 179.24 176.25 2wnu s LYS 202 N -6.02 3.11 -0.09 0.28 3.01 -1.26 -4.89 119.74 113.87 2wnu s LYS 202 Ca -0.12 -0.99 0.14 0.00 -1.01 0.00 0.00 55.97 53.99 2wnu s LYS 202 Cb 0.20 -4.18 0.30 0.00 -1.01 0.00 0.00 37.83 33.14 2wnu s LYS 202 CO 0.77 -1.46 1.14 0.27 0.51 0.00 0.00 175.35 176.59 2wnu n ASN 203 N 6.58 1.29 -4.57 2.83 6.94 -1.20 -1.51 115.26 125.61 2wnu n ASN 203 Ca -0.07 -2.79 -0.42 0.00 -0.02 0.00 0.00 54.58 51.29 2wnu n ASN 203 Cb 0.44 -0.37 -0.03 0.00 -2.36 0.00 0.00 39.78 37.46 2wnu n ASN 203 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2wnu s SER 204 N -2.34 6.16 -0.03 0.53 0.15 -1.08 -4.49 113.70 112.61 2wnu s SER 204 Ca 0.27 0.23 -0.01 0.00 0.70 0.00 0.00 55.95 57.15 2wnu s SER 204 Cb 0.27 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 62.07 2wnu s SER 204 CO -0.06 -1.69 0.03 -0.22 1.20 0.00 0.00 173.24 172.50 2wnu s LEU 205 N 5.93 0.75 -0.04 3.45 0.20 -1.26 -4.28 118.68 123.42 2wnu s LEU 205 Ca 0.50 0.03 -0.03 0.00 0.69 0.00 0.00 54.13 55.33 2wnu s LEU 205 Cb -0.10 -0.15 -0.04 0.00 -0.43 0.00 0.00 46.19 45.47 2wnu s LEU 205 CO 0.25 -0.17 0.12 -0.76 -0.29 0.00 0.00 176.35 175.50 2wnu s LEU 206 N 1.49 4.13 -0.35 -0.68 1.43 0.02 -4.97 118.68 119.76 2wnu s LEU 206 Ca -0.04 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 2wnu s LEU 206 Cb -0.13 -2.29 0.14 0.00 0.03 0.00 0.00 46.19 43.95 2wnu s LEU 206 CO -0.03 0.31 0.29 -0.83 0.23 0.00 0.00 176.35 176.33 2wnu s GLY 207 N -1.56 0.26 0.17 -3.19 0.00 -1.25 -3.74 107.32 98.02 2wnu s GLY 207 Ca 0.21 -1.16 -0.22 0.00 0.00 0.00 0.00 44.72 43.55 2wnu s GLY 207 CO 0.12 2.47 0.60 -3.16 0.00 0.00 0.00 173.10 173.14 2wnu s MET 208 N 1.51 1.33 -0.22 2.90 0.23 -0.87 -4.39 119.30 119.79 2wnu s MET 208 Ca 0.15 -0.54 -0.37 0.00 -1.03 0.00 0.00 55.69 53.90 2wnu s MET 208 Cb -0.17 0.59 -0.13 0.00 -1.53 0.00 0.00 34.83 33.58 2wnu s MET 208 CO -0.09 -0.58 1.87 -1.91 -2.03 0.00 0.00 175.02 172.28 2wnu n GLU 209 N -0.38 1.52 -0.02 3.16 4.07 -1.26 -1.00 120.64 126.73 2wnu n GLU 209 Ca -0.15 0.54 0.00 0.00 -0.06 0.00 0.00 57.16 57.49 2wnu n GLU 209 Cb 0.64 -2.36 0.00 0.00 -0.06 0.00 0.00 31.44 29.66 2wnu n GLU 209 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wnu n GLY 210 N 4.66 0.58 2.72 8.31 0.00 -1.26 -4.94 105.19 115.27 2wnu n GLY 210 Ca 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.22 2wnu n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wnu s ALA 211 N -2.22 -1.64 0.33 4.61 0.00 -0.17 -5.16 121.76 117.52 2wnu s ALA 211 Ca 0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 51.16 2wnu s ALA 211 Cb 0.00 -2.57 -0.07 0.00 0.00 0.00 0.00 23.12 20.48 2wnu s ALA 211 CO 0.00 -2.20 0.70 -0.80 0.00 0.00 0.00 175.76 173.46 2wnu s ASN 212 N 0.78 6.63 -0.16 0.00 0.02 -1.19 -2.06 114.94 118.96 2wnu s ASN 212 Ca 0.30 1.11 0.01 0.00 -1.02 0.00 0.00 52.86 53.26 2wnu s ASN 212 Cb 0.00 -2.31 0.02 0.00 0.02 0.00 0.00 41.25 38.99 2wnu s ASN 212 CO -0.07 -0.25 -0.16 -0.44 0.02 0.00 0.00 177.10 176.19 2wnu s SER 213 N -2.70 2.84 0.13 -1.22 0.01 -1.25 -3.28 113.70 108.23 2wnu s SER 213 Ca 0.51 -0.54 0.11 0.00 1.31 0.00 0.00 55.95 57.33 2wnu s SER 213 Cb -0.10 -1.29 -0.04 0.00 0.21 0.00 0.00 66.02 64.80 2wnu s SER 213 CO 0.24 -0.03 -0.26 -0.51 0.41 0.00 0.00 173.24 173.09 2wnu s ILE 214 N 1.38 2.33 -0.09 1.44 2.07 -0.32 -1.28 121.20 126.73 2wnu s ILE 214 Ca 0.04 -1.72 0.00 0.00 -1.41 0.00 0.00 60.65 57.56 2wnu s ILE 214 Cb -0.13 -2.04 0.02 0.00 0.13 0.00 0.00 42.46 40.44 2wnu s ILE 214 CO -0.11 0.09 -0.08 0.12 -1.91 0.00 0.00 174.94 173.06 2wnu s PHE 215 N -1.07 1.31 0.12 3.50 5.36 0.07 -1.79 117.98 125.49 2wnu s PHE 215 Ca 0.14 -0.57 0.05 0.00 -0.96 0.00 0.00 56.93 55.60 2wnu s PHE 215 Cb -0.10 -1.08 -0.04 0.00 -0.34 0.00 0.00 43.02 41.46 2wnu s PHE 215 CO 0.06 -0.39 -0.12 -1.12 -1.46 0.00 0.00 175.22 172.19 2wnu s SER 216 N 1.33 1.84 -0.08 6.13 0.01 0.03 -1.01 113.70 121.96 2wnu s SER 216 Ca -0.03 -0.85 -0.30 0.00 1.31 0.00 0.00 55.95 56.08 2wnu s SER 216 Cb -0.14 -0.04 0.08 0.00 0.21 0.00 0.00 66.02 66.13 2wnu s SER 216 CO -0.04 -0.21 0.72 -0.83 0.41 0.00 0.00 173.24 173.29 2wnu s GLY 217 N -2.61 -0.54 0.01 3.44 0.00 -0.03 -1.37 107.32 106.21 2wnu s GLY 217 Ca 0.10 1.45 -0.18 0.00 0.00 0.00 0.00 44.72 46.09 2wnu s GLY 217 CO 0.02 1.03 0.39 -0.11 0.00 0.00 0.00 173.10 174.43 2wnu s PHE 218 N -1.05 -0.26 0.02 1.90 -0.12 -0.38 -0.60 117.98 117.50 2wnu s PHE 218 Ca -0.09 0.30 -0.30 0.00 -0.05 0.00 0.00 56.93 56.79 2wnu s PHE 218 Cb -0.00 0.18 -0.05 0.00 -0.63 0.00 0.00 43.02 42.52 2wnu s PHE 218 CO 0.08 -0.50 1.20 -1.17 -0.05 0.00 0.00 175.22 174.78 2wnu s LEU 219 N -1.69 4.34 -0.16 -1.99 2.96 -0.45 -0.87 118.68 120.82 2wnu s LEU 219 Ca -0.09 1.95 -0.12 0.00 -0.22 0.00 0.00 54.13 55.65 2wnu s LEU 219 Cb -0.02 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 43.03 2wnu s LEU 219 CO 0.01 -0.50 -0.11 0.18 -1.32 0.00 0.00 176.35 174.61 2wnu n LEU 220 N 4.35 1.83 -3.74 -0.68 4.77 0.16 -4.91 117.00 118.77 2wnu n LEU 220 Ca 0.10 0.57 -0.12 0.00 -0.03 0.00 0.00 56.01 56.52 2wnu n LEU 220 Cb 0.46 -0.88 -0.13 0.00 -2.33 0.00 0.00 43.42 40.54 2wnu n LEU 220 CO 0.55 -0.29 -0.13 -0.36 -1.33 0.00 0.00 177.39 175.84 2wnu s PHE 221 N -2.31 -0.31 0.65 -1.77 0.40 -1.10 -5.01 117.98 108.53 2wnu s PHE 221 Ca -0.19 0.74 -0.12 0.00 -0.60 0.00 0.00 56.93 56.76 2wnu s PHE 221 Cb 0.03 0.05 -0.02 0.00 0.51 0.00 0.00 43.02 43.59 2wnu s PHE 221 CO 0.31 -0.21 1.05 -2.14 0.70 0.00 0.00 175.22 174.93 2wnu s PRO 222 N 1.07 3.22 0.00 0.24 0.02 -1.26 0.40 135.00 138.69 2wnu s PRO 222 Ca -0.08 0.97 0.00 0.00 0.02 0.00 0.00 61.00 61.91 2wnu s PRO 222 Cb -0.09 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.40 2wnu s PRO 222 CO -0.07 -0.88 0.00 -0.25 -0.33 0.00 0.00 177.00 175.47 2wnu n ASP 223 N -2.72 0.00 0.00 2.53 8.00 -0.47 -4.84 116.55 119.05 2wnu n ASP 223 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 2wnu n ASP 223 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 2wnu n ASP 223 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61