#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk6 s GLN 93 N 0.00 3.83 -0.76 -0.78 -1.52 -1.26 -5.02 119.66 114.15 1pk6 s GLN 93 Ca 0.00 -2.70 -0.22 0.00 -1.95 0.00 0.00 55.36 50.49 1pk6 s GLN 93 Cb 0.00 -4.52 0.08 0.00 -0.22 0.00 0.00 33.01 28.35 1pk6 s GLN 93 CO 0.00 -1.31 1.08 0.15 -0.25 0.00 0.00 175.29 174.95 1pk6 s LYS 94 N -0.17 3.28 -0.19 2.91 1.02 -1.26 -4.98 119.74 120.34 1pk6 s LYS 94 Ca 0.24 -1.03 -0.00 0.00 0.02 0.00 0.00 55.97 55.20 1pk6 s LYS 94 Cb -0.10 -4.49 0.01 0.00 -0.52 0.00 0.00 37.83 32.74 1pk6 s LYS 94 CO -0.08 -1.87 -0.15 0.42 -0.92 0.00 0.00 175.35 172.74 1pk6 s ILE 95 N 3.97 2.43 -0.10 2.17 1.01 -1.26 -4.09 121.20 125.33 1pk6 s ILE 95 Ca 0.28 -0.83 -0.28 0.00 0.00 0.00 0.00 60.65 59.82 1pk6 s ILE 95 Cb -0.12 -2.06 0.07 0.00 0.01 0.00 0.00 42.46 40.36 1pk6 s ILE 95 CO 0.04 0.50 0.66 0.00 0.00 0.00 0.00 174.94 176.14 1pk6 s ALA 96 N 1.34 -1.69 -0.07 9.38 0.00 -1.11 -1.74 121.76 127.87 1pk6 s ALA 96 Ca 0.05 1.41 -0.12 0.00 0.00 0.00 0.00 51.96 53.29 1pk6 s ALA 96 Cb -0.13 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.75 1pk6 s ALA 96 CO -0.10 -0.35 0.30 -0.59 0.00 0.00 0.00 175.76 175.02 1pk6 s PHE 97 N -0.83 -0.25 -0.07 0.00 -0.12 0.01 -0.12 117.98 116.61 1pk6 s PHE 97 Ca -0.09 0.54 -0.03 0.00 -0.05 0.00 0.00 56.93 57.31 1pk6 s PHE 97 Cb -0.01 0.10 0.04 0.00 -0.63 0.00 0.00 43.02 42.51 1pk6 s PHE 97 CO 0.07 -0.27 0.09 -1.12 -0.05 0.00 0.00 175.22 173.95 1pk6 s SER 98 N -0.55 1.22 -0.01 1.98 0.01 -0.31 -0.89 113.70 115.16 1pk6 s SER 98 Ca -0.07 0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.25 1pk6 s SER 98 Cb -0.04 -0.05 -0.00 0.00 0.21 0.00 0.00 66.02 66.14 1pk6 s SER 98 CO 0.02 -0.26 -0.06 0.00 0.41 0.00 0.00 173.24 173.35 1pk6 s ALA 99 N 2.20 0.52 0.22 1.44 0.00 0.47 -0.39 121.76 126.21 1pk6 s ALA 99 Ca 0.04 -0.25 0.08 0.00 0.00 0.00 0.00 51.96 51.83 1pk6 s ALA 99 Cb -0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 1pk6 s ALA 99 CO -0.05 0.12 0.08 0.95 0.00 0.00 0.00 175.76 176.86 1pk6 s THR 100 N -0.08 3.97 -0.23 0.00 -4.23 0.21 -0.28 115.64 115.00 1pk6 s THR 100 Ca 0.02 -1.52 -0.14 0.00 -1.18 0.00 0.00 61.69 58.87 1pk6 s THR 100 Cb -0.03 -3.09 -0.04 0.00 1.34 0.00 0.00 72.50 70.68 1pk6 s THR 100 CO -0.00 -0.27 0.32 -0.60 -0.54 0.00 0.00 174.62 173.54 1pk6 s ARG 101 N -3.47 4.11 0.00 3.99 3.52 -0.43 -0.66 118.95 126.01 1pk6 s ARG 101 Ca 0.31 0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.94 1pk6 s ARG 101 Cb -0.08 -3.56 0.00 0.00 -1.56 0.00 0.00 34.95 29.75 1pk6 s ARG 101 CO 0.22 -0.06 0.00 0.25 -0.81 0.00 0.00 175.30 174.90 1pk6 n THR 102 N 4.48 0.00 -1.84 4.11 -2.24 -1.26 -3.77 114.28 113.76 1pk6 n THR 102 Ca -0.10 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 60.97 1pk6 n THR 102 Cb 0.51 0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 69.52 1pk6 n THR 102 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1pk6 s ILE 103 N -1.13 2.68 -1.18 2.28 1.01 -1.26 -4.85 121.20 118.75 1pk6 s ILE 103 Ca 0.00 0.29 -0.11 0.00 0.00 0.00 0.00 60.65 60.83 1pk6 s ILE 103 Cb 0.00 -3.19 0.22 0.00 0.01 0.00 0.00 42.46 39.50 1pk6 s ILE 103 CO 0.00 0.01 1.35 -3.20 0.00 0.00 0.00 174.94 173.09 1pk6 n ASN 104 N 5.08 5.37 -3.72 3.58 5.15 -1.26 -4.83 115.26 124.64 1pk6 n ASN 104 Ca 0.16 -3.02 -0.13 0.00 -0.60 0.00 0.00 54.58 50.99 1pk6 n ASN 104 Cb 0.39 -1.49 -0.10 0.00 -0.53 0.00 0.00 39.78 38.05 1pk6 n ASN 104 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1pk6 s VAL 105 N 0.29 -0.00 0.95 3.44 1.01 -1.26 -5.16 120.40 119.67 1pk6 s VAL 105 Ca 0.38 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 1pk6 s VAL 105 Cb -0.05 -0.63 0.16 0.00 0.00 0.00 0.00 36.38 35.87 1pk6 s VAL 105 CO -0.02 0.00 1.10 -2.84 0.00 0.00 0.00 175.10 173.34 1pk6 s PRO 106 N 0.32 0.76 -0.16 2.72 0.02 -1.26 -5.01 135.00 132.39 1pk6 s PRO 106 Ca -0.01 1.17 -0.09 0.00 0.02 0.00 0.00 61.00 62.09 1pk6 s PRO 106 Cb -0.03 -1.73 -0.05 0.00 0.02 0.00 0.00 34.50 32.71 1pk6 s PRO 106 CO -0.00 -2.68 0.15 -0.51 -0.33 0.00 0.00 177.00 173.63 1pk6 s LEU 107 N -6.58 4.28 0.29 -5.54 1.43 -1.26 -5.10 118.68 106.20 1pk6 s LEU 107 Ca 0.66 0.36 0.01 0.00 -1.03 0.00 0.00 54.13 54.12 1pk6 s LEU 107 Cb -0.21 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 1pk6 s LEU 107 CO 0.59 0.26 0.47 -0.13 0.23 0.00 0.00 176.35 177.77 1pk6 s ARG 108 N -0.14 3.49 0.27 1.70 1.81 -1.26 -4.81 118.95 120.01 1pk6 s ARG 108 Ca 0.12 -0.41 -0.30 0.00 -1.72 0.00 0.00 55.73 53.41 1pk6 s ARG 108 Cb -0.12 -2.75 -0.11 0.00 -0.45 0.00 0.00 34.95 31.52 1pk6 s ARG 108 CO 0.01 0.27 1.54 0.50 -0.68 0.00 0.00 175.30 176.94 1pk6 s ARG 109 N -3.97 4.18 -0.19 3.54 3.52 -1.25 -2.11 118.95 122.67 1pk6 s ARG 109 Ca 0.38 2.47 0.00 0.00 -0.13 0.00 0.00 55.73 58.46 1pk6 s ARG 109 Cb -0.10 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.23 1pk6 s ARG 109 CO 0.32 -0.55 0.00 -0.25 -0.81 0.00 0.00 175.30 174.01 1pk6 n ASP 110 N 2.29 -4.65 -4.73 -2.12 8.00 -0.08 -4.94 116.55 110.33 1pk6 n ASP 110 Ca 0.08 0.04 -0.41 0.00 0.71 0.00 0.00 54.79 55.22 1pk6 n ASP 110 Cb 0.38 -2.31 -0.04 0.00 -0.02 0.00 0.00 41.12 39.13 1pk6 n ASP 110 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1pk6 s GLN 111 N -1.41 4.61 -0.01 -1.24 0.74 -0.90 -4.72 119.66 116.73 1pk6 s GLN 111 Ca 0.00 1.30 -0.30 0.00 0.05 0.00 0.00 55.36 56.41 1pk6 s GLN 111 Cb 0.00 -3.38 -0.07 0.00 1.10 0.00 0.00 33.01 30.66 1pk6 s GLN 111 CO 0.00 0.21 1.77 0.99 -0.55 0.00 0.00 175.29 177.71 1pk6 s THR 112 N 0.11 3.34 -0.33 -0.34 2.01 -1.26 0.17 115.64 119.33 1pk6 s THR 112 Ca 0.44 0.44 -0.29 0.00 0.31 0.00 0.00 61.69 62.59 1pk6 s THR 112 Cb -0.22 -3.28 0.01 0.00 0.01 0.00 0.00 72.50 69.01 1pk6 s THR 112 CO 0.27 -0.04 1.27 -0.63 -0.69 0.00 0.00 174.62 174.80 1pk6 s ILE 113 N 4.09 4.17 -0.07 1.82 1.01 0.65 -4.89 121.20 127.98 1pk6 s ILE 113 Ca 0.79 1.30 -0.20 0.00 0.00 0.00 0.00 60.65 62.54 1pk6 s ILE 113 Cb -0.37 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 37.82 1pk6 s ILE 113 CO 0.34 -0.55 0.56 -0.60 0.00 0.00 0.00 174.94 174.69 1pk6 s ARG 114 N 4.20 4.34 -0.66 2.79 3.52 -1.26 -4.63 118.95 127.25 1pk6 s ARG 114 Ca 0.55 0.63 -0.02 0.00 -0.13 0.00 0.00 55.73 56.75 1pk6 s ARG 114 Cb -0.15 -3.41 0.17 0.00 -1.56 0.00 0.00 34.95 30.00 1pk6 s ARG 114 CO 0.24 0.21 0.48 -0.06 -0.81 0.00 0.00 175.30 175.35 1pk6 s PHE 115 N 0.40 3.45 0.40 5.12 0.40 -1.26 -4.63 117.98 121.86 1pk6 s PHE 115 Ca 0.30 -2.79 0.22 0.00 -0.60 0.00 0.00 56.93 54.06 1pk6 s PHE 115 Cb -0.17 -3.18 1.21 0.00 0.51 0.00 0.00 43.02 41.39 1pk6 s PHE 115 CO 0.14 -0.82 2.00 0.38 0.70 0.00 0.00 175.22 177.63 1pk6 h ASP 116 N 6.83 0.00 -3.58 1.36 2.03 -1.65 -3.41 116.42 118.00 1pk6 h ASP 116 Ca 0.01 0.00 -0.69 0.00 -0.73 0.00 0.00 57.03 55.62 1pk6 h ASP 116 Cb 0.93 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 39.24 1pk6 h ASP 116 CO 0.73 0.18 -0.27 -2.28 -1.03 0.00 0.00 179.24 176.56 1pk6 s HIS 117 N -4.25 3.19 -0.13 4.15 5.04 0.16 -4.87 115.29 118.58 1pk6 s HIS 117 Ca -0.03 -0.29 -0.17 0.00 -1.54 0.00 0.00 55.06 53.03 1pk6 s HIS 117 Cb 0.14 -2.77 -0.04 0.00 0.04 0.00 0.00 32.58 29.95 1pk6 s HIS 117 CO 0.63 -0.59 0.44 0.54 -2.34 0.00 0.00 174.74 173.42 1pk6 s VAL 118 N 2.02 5.21 -0.22 0.89 0.11 -1.26 0.66 120.40 127.82 1pk6 s VAL 118 Ca 0.11 0.86 -0.05 0.00 -2.93 0.00 0.00 61.98 59.96 1pk6 s VAL 118 Cb -0.17 -3.78 -0.19 0.00 -1.53 0.00 0.00 36.38 30.71 1pk6 s VAL 118 CO 0.12 0.33 -0.03 -0.38 -3.33 0.00 0.00 175.10 171.82 1pk6 n ILE 119 N 3.71 1.59 -3.91 7.04 5.41 0.47 -4.98 119.36 128.69 1pk6 n ILE 119 Ca -0.08 -0.52 -0.11 0.00 1.00 0.00 0.00 62.75 63.04 1pk6 n ILE 119 Cb 0.52 -1.64 -0.13 0.00 -0.71 0.00 0.00 39.64 37.68 1pk6 n ILE 119 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1pk6 s THR 120 N -2.52 0.04 -0.43 1.39 2.01 -0.96 -4.96 115.64 110.21 1pk6 s THR 120 Ca -0.31 -0.29 0.07 0.00 0.31 0.00 0.00 61.69 61.47 1pk6 s THR 120 Cb 0.09 -0.09 0.35 0.00 0.01 0.00 0.00 72.50 72.85 1pk6 s THR 120 CO 0.63 -0.16 1.18 -3.20 -0.69 0.00 0.00 174.62 172.39 1pk6 n ASN 121 N 2.62 -2.04 -4.70 3.53 2.85 -1.23 -1.16 115.26 115.12 1pk6 n ASN 121 Ca -0.16 -3.26 -0.42 0.00 -0.11 0.00 0.00 54.58 50.63 1pk6 n ASN 121 Cb 0.58 1.51 -0.03 0.00 1.24 0.00 0.00 39.78 43.09 1pk6 n ASN 121 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1pk6 s MET 122 N 0.11 4.19 0.00 1.20 -1.94 0.84 -1.00 119.30 122.70 1pk6 s MET 122 Ca 0.23 2.38 0.00 0.00 -1.71 0.00 0.00 55.69 56.59 1pk6 s MET 122 Cb 0.33 -3.40 0.00 0.00 2.01 0.00 0.00 34.83 33.77 1pk6 s MET 122 CO -0.06 -0.70 0.00 -1.71 -0.01 0.00 0.00 175.02 172.54 1pk6 n ASN 123 N 4.91 -2.51 -3.77 3.03 4.05 -1.26 -2.74 115.26 116.97 1pk6 n ASN 123 Ca 0.15 0.00 -0.23 0.00 0.45 0.00 0.00 54.58 54.95 1pk6 n ASN 123 Cb 0.39 -0.65 -0.05 0.00 1.23 0.00 0.00 39.78 40.70 1pk6 n ASN 123 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1pk6 n ASN 124 N -0.07 -0.18 -0.23 1.20 3.02 -0.17 -4.80 115.26 114.02 1pk6 n ASN 124 Ca 0.00 -0.85 0.11 0.00 -0.03 0.00 0.00 54.58 53.81 1pk6 n ASN 124 Cb 0.04 -1.05 0.12 0.00 -0.61 0.00 0.00 39.78 38.27 1pk6 n ASN 124 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1pk6 n ASN 125 N -1.63 1.27 -4.69 6.41 3.02 -1.26 -4.85 115.26 113.52 1pk6 n ASN 125 Ca -0.18 -1.02 -0.35 0.00 -0.03 0.00 0.00 54.58 53.00 1pk6 n ASN 125 Cb 0.44 0.46 -0.09 0.00 -0.61 0.00 0.00 39.78 39.98 1pk6 n ASN 125 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1pk6 s TYR 126 N -2.69 3.24 -0.32 3.10 5.04 -1.26 -1.33 117.35 123.13 1pk6 s TYR 126 Ca 0.17 0.18 -0.05 0.00 -2.44 0.00 0.00 57.07 54.93 1pk6 s TYR 126 Cb 0.18 -1.89 0.04 0.00 0.35 0.00 0.00 41.96 40.64 1pk6 s TYR 126 CO 0.65 0.40 0.07 -2.00 -1.34 0.00 0.00 175.55 173.32 1pk6 s GLU 127 N -0.54 2.60 0.36 4.97 2.56 -0.70 -5.00 118.70 122.95 1pk6 s GLU 127 Ca 0.10 -1.18 0.08 0.00 0.00 0.00 0.00 54.97 53.97 1pk6 s GLU 127 Cb -0.12 -3.35 0.79 0.00 2.00 0.00 0.00 34.13 33.44 1pk6 s GLU 127 CO 0.02 -0.63 1.92 -1.35 -0.56 0.00 0.00 175.26 174.66 1pk6 h PRO 128 N 8.15 0.69 0.00 4.30 0.11 -1.88 0.14 132.00 143.51 1pk6 h PRO 128 Ca -0.23 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 1pk6 h PRO 128 Cb 1.08 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1pk6 h PRO 128 CO 0.58 0.46 -0.12 0.00 -0.21 0.00 0.00 178.00 178.71 1pk6 h ARG 129 N 0.71 0.00 0.00 1.05 3.08 -1.90 -3.30 114.38 114.03 1pk6 h ARG 129 Ca 0.37 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.28 1pk6 h ARG 129 Cb 0.47 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 1pk6 h ARG 129 CO -0.14 0.12 -1.51 -1.13 -1.07 0.00 0.00 179.97 176.24 1pk6 n SER 130 N -4.10 3.22 0.00 7.04 3.41 -1.05 -5.02 113.62 117.13 1pk6 n SER 130 Ca -0.02 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1pk6 n SER 130 Cb 0.20 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1pk6 n SER 130 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pk6 n GLY 131 N 2.70 0.63 3.56 5.00 0.00 0.46 -4.30 105.19 113.24 1pk6 n GLY 131 Ca -0.13 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 1pk6 n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pk6 s LYS 132 N -1.37 2.43 -0.13 1.61 1.02 -1.22 -4.47 119.74 117.60 1pk6 s LYS 132 Ca 0.00 -0.80 -0.06 0.00 0.02 0.00 0.00 55.97 55.13 1pk6 s LYS 132 Cb 0.00 -2.42 -0.04 0.00 -0.52 0.00 0.00 37.83 34.85 1pk6 s LYS 132 CO 0.00 0.58 0.09 0.12 -0.92 0.00 0.00 175.35 175.22 1pk6 s PHE 133 N -0.99 3.40 -0.15 3.18 5.36 0.78 -1.72 117.98 127.84 1pk6 s PHE 133 Ca 0.17 0.33 0.00 0.00 -0.96 0.00 0.00 56.93 56.47 1pk6 s PHE 133 Cb -0.11 -1.95 0.02 0.00 -0.34 0.00 0.00 43.02 40.64 1pk6 s PHE 133 CO 0.07 0.51 -0.13 0.99 -1.46 0.00 0.00 175.22 175.20 1pk6 s THR 134 N -0.57 1.53 -0.00 0.12 2.01 -0.44 -0.31 115.64 117.98 1pk6 s THR 134 Ca 0.11 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.19 1pk6 s THR 134 Cb -0.12 -1.45 -0.06 0.00 0.01 0.00 0.00 72.50 70.88 1pk6 s THR 134 CO 0.02 0.43 1.60 0.00 -0.69 0.00 0.00 174.62 175.99 1pk6 n LYS 136 N 6.29 0.56 -3.26 0.00 5.02 -1.26 0.20 118.16 125.71 1pk6 n LYS 136 Ca 0.16 0.23 -0.42 0.00 -2.02 0.00 0.00 58.31 56.27 1pk6 n LYS 136 Cb 0.42 -1.46 -0.08 0.00 -0.02 0.00 0.00 35.03 33.89 1pk6 n LYS 136 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1pk6 s VAL 137 N -2.72 5.02 0.55 -0.18 1.01 -1.26 -4.67 120.40 118.15 1pk6 s VAL 137 Ca -0.34 0.13 -0.19 0.00 0.00 0.00 0.00 61.98 61.57 1pk6 s VAL 137 Cb 0.09 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1pk6 s VAL 137 CO 0.46 -0.30 1.15 -2.16 0.00 0.00 0.00 175.10 174.25 1pk6 s PRO 138 N 2.36 3.28 0.00 2.72 0.04 -1.26 -4.86 135.00 137.28 1pk6 s PRO 138 Ca 0.17 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1pk6 s PRO 138 Cb -0.16 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1pk6 s PRO 138 CO 0.14 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.67 1pk6 n GLY 139 N 0.27 -0.30 3.71 0.56 0.00 0.63 -0.22 105.19 109.84 1pk6 n GLY 139 Ca 0.12 -1.23 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 1pk6 n GLY 139 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pk6 s LEU 140 N 0.00 4.20 0.13 0.99 1.43 0.04 0.91 118.68 126.38 1pk6 s LEU 140 Ca 0.00 0.35 0.07 0.00 -1.03 0.00 0.00 54.13 53.52 1pk6 s LEU 140 Cb 0.00 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 1pk6 s LEU 140 CO 0.00 0.09 -0.16 -0.31 0.23 0.00 0.00 176.35 176.20 1pk6 s TYR 141 N 0.66 1.55 -0.11 0.29 1.51 -0.27 0.70 117.35 121.69 1pk6 s TYR 141 Ca 0.13 -0.51 0.02 0.00 -1.01 0.00 0.00 57.07 55.70 1pk6 s TYR 141 Cb -0.13 -0.81 -0.01 0.00 -0.11 0.00 0.00 41.96 40.91 1pk6 s TYR 141 CO 0.03 0.20 -0.20 -0.47 -1.11 0.00 0.00 175.55 174.00 1pk6 s TYR 142 N -1.95 2.66 -0.02 2.71 5.04 -0.32 -0.92 117.35 124.55 1pk6 s TYR 142 Ca 0.10 -0.87 0.07 0.00 -2.44 0.00 0.00 57.07 53.94 1pk6 s TYR 142 Cb -0.06 -1.76 -0.02 0.00 0.35 0.00 0.00 41.96 40.47 1pk6 s TYR 142 CO 0.04 -0.32 -0.24 -0.06 -1.34 0.00 0.00 175.55 173.62 1pk6 s PHE 143 N 0.31 2.38 0.10 4.97 0.40 0.42 -1.40 117.98 125.17 1pk6 s PHE 143 Ca -0.15 -0.40 -0.17 0.00 -0.60 0.00 0.00 56.93 55.61 1pk6 s PHE 143 Cb -0.17 -1.51 0.04 0.00 0.51 0.00 0.00 43.02 41.89 1pk6 s PHE 143 CO 0.07 0.01 0.41 -0.08 0.70 0.00 0.00 175.22 176.34 1pk6 s THR 144 N -0.65 0.06 0.09 0.64 -1.32 -0.34 -0.33 115.64 113.79 1pk6 s THR 144 Ca 0.10 -0.51 -0.17 0.00 -1.21 0.00 0.00 61.69 59.90 1pk6 s THR 144 Cb -0.10 -1.10 0.04 0.00 -1.51 0.00 0.00 72.50 69.83 1pk6 s THR 144 CO -0.00 -0.28 0.41 -0.72 -2.21 0.00 0.00 174.62 171.81 1pk6 s TYR 145 N -3.39 -0.24 -0.11 9.09 -0.85 -0.71 -0.43 117.35 120.71 1pk6 s TYR 145 Ca 0.00 0.03 -0.02 0.00 -0.52 0.00 0.00 57.07 56.57 1pk6 s TYR 145 Cb 0.01 0.25 0.04 0.00 0.38 0.00 0.00 41.96 42.64 1pk6 s TYR 145 CO -0.09 -0.66 0.01 -1.01 -1.52 0.00 0.00 175.55 172.28 1pk6 s HIS 146 N -3.29 0.79 -0.18 -3.49 3.76 -0.62 -2.61 115.29 109.65 1pk6 s HIS 146 Ca -0.00 -0.40 -0.01 0.00 -0.15 0.00 0.00 55.06 54.49 1pk6 s HIS 146 Cb 0.01 -0.88 -0.00 0.00 1.11 0.00 0.00 32.58 32.81 1pk6 s HIS 146 CO -0.08 -0.43 -0.11 0.00 -0.85 0.00 0.00 174.74 173.27 1pk6 s ALA 147 N 1.93 2.63 0.45 -1.40 0.00 0.33 -0.78 121.76 124.93 1pk6 s ALA 147 Ca 0.03 -1.09 -0.20 0.00 0.00 0.00 0.00 51.96 50.70 1pk6 s ALA 147 Cb -0.14 -1.42 -0.10 0.00 0.00 0.00 0.00 23.12 21.46 1pk6 s ALA 147 CO -0.06 -0.20 0.95 -1.12 0.00 0.00 0.00 175.76 175.33 1pk6 s SER 148 N 1.08 6.85 0.08 0.00 0.01 -1.02 -0.93 113.70 119.76 1pk6 s SER 148 Ca 0.00 1.64 -0.25 0.00 1.31 0.00 0.00 55.95 58.65 1pk6 s SER 148 Cb -0.15 -2.52 0.07 0.00 0.21 0.00 0.00 66.02 63.63 1pk6 s SER 148 CO -0.03 -0.42 0.60 -0.55 0.41 0.00 0.00 173.24 173.26 1pk6 s SER 149 N -2.43 -0.56 0.00 2.44 0.15 0.42 -1.14 113.70 112.57 1pk6 s SER 149 Ca 0.61 0.22 0.06 0.00 0.70 0.00 0.00 55.95 57.54 1pk6 s SER 149 Cb -0.09 0.56 0.10 0.00 -1.71 0.00 0.00 66.02 64.88 1pk6 s SER 149 CO 0.18 -0.83 0.89 -1.14 1.20 0.00 0.00 173.24 173.55 1pk6 n ARG 150 N 0.11 1.14 0.00 5.44 0.63 -1.26 -0.49 116.66 122.23 1pk6 n ARG 150 Ca -0.18 -1.27 0.00 0.00 -0.92 0.00 0.00 57.85 55.48 1pk6 n ARG 150 Cb 0.62 -1.14 0.00 0.00 0.45 0.00 0.00 32.46 32.39 1pk6 n ARG 150 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pk6 n GLY 151 N 0.26 2.97 3.73 5.14 0.00 -1.26 -4.33 105.19 111.70 1pk6 n GLY 151 Ca 0.05 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 1pk6 n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pk6 s ASN 152 N 2.00 7.11 -0.02 1.61 0.01 -1.24 -3.55 114.94 120.86 1pk6 s ASN 152 Ca 0.00 2.16 0.00 0.00 -0.71 0.00 0.00 52.86 54.31 1pk6 s ASN 152 Cb 0.00 -2.60 0.03 0.00 0.41 0.00 0.00 41.25 39.09 1pk6 s ASN 152 CO 0.00 -0.38 0.03 -0.22 -1.51 0.00 0.00 177.10 175.02 1pk6 s LEU 153 N 0.09 1.08 -0.02 0.60 2.96 -0.64 -2.62 118.68 120.13 1pk6 s LEU 153 Ca 0.54 0.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.51 1pk6 s LEU 153 Cb -0.31 -0.09 -0.00 0.00 0.50 0.00 0.00 46.19 46.28 1pk6 s LEU 153 CO 0.34 -0.13 -0.10 0.00 -1.32 0.00 0.00 176.35 175.15 1pk6 s VAL 155 N 0.07 0.68 -0.17 0.00 0.11 0.33 -3.41 120.40 118.02 1pk6 s VAL 155 Ca -0.01 -0.36 -0.06 0.00 -2.93 0.00 0.00 61.98 58.61 1pk6 s VAL 155 Cb -0.08 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 1pk6 s VAL 155 CO 0.00 0.20 0.04 0.20 -3.33 0.00 0.00 175.10 172.21 1pk6 s ASN 156 N -0.13 5.48 -0.11 3.54 0.01 -0.53 -0.22 114.94 122.98 1pk6 s ASN 156 Ca 0.02 0.06 -0.22 0.00 -0.71 0.00 0.00 52.86 52.01 1pk6 s ASN 156 Cb -0.04 -1.90 -0.03 0.00 0.41 0.00 0.00 41.25 39.68 1pk6 s ASN 156 CO -0.00 0.20 0.65 -0.22 -1.51 0.00 0.00 177.10 176.21 1pk6 s LEU 157 N 0.23 4.27 0.11 0.60 2.96 -0.10 -1.41 118.68 125.35 1pk6 s LEU 157 Ca 0.03 1.04 0.08 0.00 -0.22 0.00 0.00 54.13 55.06 1pk6 s LEU 157 Cb -0.13 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.55 1pk6 s LEU 157 CO 0.01 -0.13 -0.15 -0.04 -1.32 0.00 0.00 176.35 174.72 1pk6 s MET 158 N 1.02 1.92 0.02 1.98 -1.94 0.25 -0.75 119.30 121.79 1pk6 s MET 158 Ca 0.33 -1.12 -0.08 0.00 -1.71 0.00 0.00 55.69 53.12 1pk6 s MET 158 Cb -0.17 -2.19 0.00 0.00 2.01 0.00 0.00 34.83 34.49 1pk6 s MET 158 CO 0.15 0.49 0.15 0.50 -0.01 0.00 0.00 175.02 176.30 1pk6 s ARG 159 N -2.16 0.56 0.00 2.03 3.52 0.78 -2.41 118.95 121.27 1pk6 s ARG 159 Ca 0.19 -0.50 0.00 0.00 -0.13 0.00 0.00 55.73 55.30 1pk6 s ARG 159 Cb -0.11 0.23 0.00 0.00 -1.56 0.00 0.00 34.95 33.51 1pk6 s ARG 159 CO 0.11 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 174.87 1pk6 n GLY 160 N 1.16 0.72 0.00 8.12 0.00 -1.03 0.12 105.19 114.29 1pk6 n GLY 160 Ca -0.21 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1pk6 n GLY 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pk6 n ARG 161 N -1.47 0.00 0.04 1.61 1.74 -1.26 0.75 116.66 118.07 1pk6 n ARG 161 Ca 0.00 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 1pk6 n ARG 161 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 1pk6 n ARG 161 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1pk6 n GLU 162 N -0.01 0.50 -3.92 5.56 -0.58 -1.26 -4.70 120.64 116.22 1pk6 n GLU 162 Ca 0.00 -0.02 -0.28 0.00 -0.42 0.00 0.00 57.16 56.45 1pk6 n GLU 162 Cb 0.00 -1.65 -0.17 0.00 -0.57 0.00 0.00 31.44 29.05 1pk6 n GLU 162 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1pk6 s ARG 163 N -3.35 1.62 0.30 3.49 1.81 -1.26 -5.13 118.95 116.43 1pk6 s ARG 163 Ca -0.01 -0.35 -0.10 0.00 -1.72 0.00 0.00 55.73 53.54 1pk6 s ARG 163 Cb 0.13 -1.75 -0.07 0.00 -0.45 0.00 0.00 34.95 32.81 1pk6 s ARG 163 CO 0.83 -0.30 0.64 0.00 -0.68 0.00 0.00 175.30 175.80 1pk6 s ALA 164 N 1.66 3.47 0.13 2.13 0.00 -1.26 -4.49 121.76 123.40 1pk6 s ALA 164 Ca 0.04 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 51.80 1pk6 s ALA 164 Cb -0.13 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 1pk6 s ALA 164 CO -0.08 0.32 -0.06 -0.65 0.00 0.00 0.00 175.76 175.28 1pk6 s GLN 165 N -3.19 0.96 -0.21 0.00 -0.21 0.33 -4.94 119.66 112.39 1pk6 s GLN 165 Ca 0.49 -1.41 -0.11 0.00 0.02 0.00 0.00 55.36 54.35 1pk6 s GLN 165 Cb -0.11 -0.34 -0.05 0.00 1.00 0.00 0.00 33.01 33.52 1pk6 s GLN 165 CO 0.24 -0.02 0.17 -1.59 -2.12 0.00 0.00 175.29 171.97 1pk6 s LYS 166 N -3.83 4.15 -0.08 2.91 -2.85 -1.26 -0.15 119.74 118.62 1pk6 s LYS 166 Ca 0.16 -0.19 -0.04 0.00 -1.00 0.00 0.00 55.97 54.90 1pk6 s LYS 166 Cb 0.05 -3.48 -0.02 0.00 -2.06 0.00 0.00 37.83 32.32 1pk6 s LYS 166 CO -0.01 0.17 0.16 0.28 0.10 0.00 0.00 175.35 176.05 1pk6 h VAL 167 N 4.84 0.00 -4.38 1.79 2.07 -1.29 -3.48 116.25 115.80 1pk6 h VAL 167 Ca -0.39 -0.89 -0.29 0.00 0.82 0.00 0.00 66.70 65.95 1pk6 h VAL 167 Cb 1.16 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.82 1pk6 h VAL 167 CO 0.71 0.00 -0.37 0.68 0.02 0.00 0.00 177.57 178.62 1pk6 s VAL 168 N -1.99 0.00 -0.08 2.57 -7.23 -1.24 -5.01 120.40 107.42 1pk6 s VAL 168 Ca -0.02 -1.78 0.02 0.00 -1.81 0.00 0.00 61.98 58.39 1pk6 s VAL 168 Cb 0.00 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.45 1pk6 s VAL 168 CO 0.06 0.00 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.85 1pk6 s THR 169 N -3.57 1.07 -0.21 5.32 2.01 -1.26 -0.92 115.64 118.08 1pk6 s THR 169 Ca 0.34 -0.41 -0.04 0.00 0.31 0.00 0.00 61.69 61.89 1pk6 s THR 169 Cb 0.02 -1.01 -0.02 0.00 0.01 0.00 0.00 72.50 71.51 1pk6 s THR 169 CO 0.19 0.35 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.08 1pk6 s PHE 170 N 0.94 2.99 0.04 4.92 0.08 0.70 -4.96 117.98 122.68 1pk6 s PHE 170 Ca -0.09 -0.71 0.09 0.00 0.12 0.00 0.00 56.93 56.33 1pk6 s PHE 170 Cb -0.15 -2.10 -0.03 0.00 -0.57 0.00 0.00 43.02 40.17 1pk6 s PHE 170 CO 0.00 -0.41 -0.26 0.00 -0.10 0.00 0.00 175.22 174.45 1pk6 s ASP 172 N -1.14 -0.39 0.14 0.00 3.68 0.44 -5.00 116.67 114.40 1pk6 s ASP 172 Ca 0.11 1.02 -0.01 0.00 2.13 0.00 0.00 52.55 55.80 1pk6 s ASP 172 Cb -0.10 1.51 -0.04 0.00 -1.45 0.00 0.00 42.92 42.84 1pk6 s ASP 172 CO 0.02 -0.24 0.32 -0.31 0.13 0.00 0.00 175.17 175.09 1pk6 s TYR 173 N 2.66 3.49 -0.11 -5.34 1.51 -1.26 -1.62 117.35 116.68 1pk6 s TYR 173 Ca -0.00 0.34 -0.05 0.00 -1.01 0.00 0.00 57.07 56.35 1pk6 s TYR 173 Cb -0.12 -1.84 0.05 0.00 -0.11 0.00 0.00 41.96 39.94 1pk6 s TYR 173 CO -0.14 0.48 0.24 0.00 -1.11 0.00 0.00 175.55 175.01 1pk6 s ALA 174 N -1.69 -0.50 -0.33 3.71 0.00 -1.23 -4.92 121.76 116.80 1pk6 s ALA 174 Ca 0.38 0.92 -0.07 0.00 0.00 0.00 0.00 51.96 53.19 1pk6 s ALA 174 Cb -0.12 -0.74 0.03 0.00 0.00 0.00 0.00 23.12 22.28 1pk6 s ALA 174 CO 0.27 -0.35 0.11 -0.47 0.00 0.00 0.00 175.76 175.33 1pk6 s TYR 175 N 1.66 3.21 -1.41 0.00 5.04 -1.26 -3.61 117.35 120.99 1pk6 s TYR 175 Ca -0.05 -1.18 -0.01 0.00 -2.44 0.00 0.00 57.07 53.38 1pk6 s TYR 175 Cb -0.11 -2.30 0.00 0.00 0.35 0.00 0.00 41.96 39.90 1pk6 s TYR 175 CO -0.08 -0.66 0.40 -1.71 -1.34 0.00 0.00 175.55 172.16 1pk6 n ASN 176 N 4.86 -0.40 -3.63 4.32 5.15 -1.26 -4.94 115.26 119.35 1pk6 n ASN 176 Ca -0.13 -1.03 -0.05 0.00 -0.60 0.00 0.00 54.58 52.77 1pk6 n ASN 176 Cb 0.46 -2.93 -0.01 0.00 -0.53 0.00 0.00 39.78 36.77 1pk6 n ASN 176 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1pk6 s THR 177 N -3.98 0.00 0.02 -0.44 -1.32 -1.26 -5.15 115.64 103.51 1pk6 s THR 177 Ca 0.02 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 59.71 1pk6 s THR 177 Cb -0.01 -2.22 -0.04 0.00 -1.51 0.00 0.00 72.50 68.72 1pk6 s THR 177 CO 0.90 0.00 0.08 -0.36 -2.21 0.00 0.00 174.62 173.03 1pk6 s PHE 178 N -3.21 3.26 0.13 9.09 0.40 -1.26 -4.14 117.98 122.26 1pk6 s PHE 178 Ca 0.14 0.17 -0.07 0.00 -0.60 0.00 0.00 56.93 56.57 1pk6 s PHE 178 Cb -0.03 -1.71 -0.02 0.00 0.51 0.00 0.00 43.02 41.77 1pk6 s PHE 178 CO 0.05 0.54 0.20 1.14 0.70 0.00 0.00 175.22 177.85 1pk6 s GLN 179 N -1.90 1.01 -0.07 0.44 -2.07 0.36 -5.00 119.66 112.42 1pk6 s GLN 179 Ca 0.25 -1.18 0.00 0.00 -1.82 0.00 0.00 55.36 52.61 1pk6 s GLN 179 Cb -0.12 0.33 0.02 0.00 -1.09 0.00 0.00 33.01 32.15 1pk6 s GLN 179 CO 0.16 -0.34 -0.06 0.54 -1.32 0.00 0.00 175.29 174.27 1pk6 s VAL 180 N -3.96 0.76 0.35 3.63 0.11 -1.26 -0.43 120.40 119.60 1pk6 s VAL 180 Ca 0.15 -0.19 0.09 0.00 -2.93 0.00 0.00 61.98 59.10 1pk6 s VAL 180 Cb 0.05 -0.79 -0.07 0.00 -1.53 0.00 0.00 36.38 34.04 1pk6 s VAL 180 CO -0.03 0.30 -0.07 0.28 -3.33 0.00 0.00 175.10 172.25 1pk6 s THR 181 N 1.31 2.11 0.08 5.04 -1.32 -0.11 -4.94 115.64 117.82 1pk6 s THR 181 Ca -0.04 -2.16 -0.08 0.00 -1.21 0.00 0.00 61.69 58.21 1pk6 s THR 181 Cb -0.14 -2.69 -0.01 0.00 -1.51 0.00 0.00 72.50 68.15 1pk6 s THR 181 CO -0.03 -0.17 0.16 0.28 -2.21 0.00 0.00 174.62 172.65 1pk6 s THR 182 N -2.68 0.15 0.10 5.08 -1.32 -1.26 -0.51 115.64 115.19 1pk6 s THR 182 Ca 0.33 -1.23 -0.17 0.00 -1.21 0.00 0.00 61.69 59.41 1pk6 s THR 182 Cb 0.04 -1.31 0.04 0.00 -1.51 0.00 0.00 72.50 69.76 1pk6 s THR 182 CO 0.16 -0.68 0.41 -0.83 -2.21 0.00 0.00 174.62 171.47 1pk6 s GLY 183 N -2.78 -0.28 0.04 6.08 0.00 -1.07 -5.02 107.32 104.29 1pk6 s GLY 183 Ca 0.04 0.09 -0.27 0.00 0.00 0.00 0.00 44.72 44.59 1pk6 s GLY 183 CO -0.10 -0.17 0.72 -0.32 0.00 0.00 0.00 173.10 173.23 1pk6 s GLY 184 N -2.51 -0.55 -0.25 0.20 0.00 -1.26 -1.75 107.32 101.21 1pk6 s GLY 184 Ca -0.00 0.96 -0.26 0.00 0.00 0.00 0.00 44.72 45.42 1pk6 s GLY 184 CO -0.08 0.49 0.73 -0.29 0.00 0.00 0.00 173.10 173.94 1pk6 s MET 185 N -2.69 0.85 -0.20 2.90 0.00 0.55 -4.99 119.30 115.71 1pk6 s MET 185 Ca -0.02 0.91 -0.12 0.00 0.00 0.00 0.00 55.69 56.46 1pk6 s MET 185 Cb -0.01 0.41 -0.05 0.00 0.00 0.00 0.00 34.83 35.19 1pk6 s MET 185 CO -0.05 -0.12 0.24 0.08 0.00 0.00 0.00 175.02 175.17 1pk6 s VAL 186 N 0.23 5.33 -0.02 10.11 1.01 -1.26 -0.43 120.40 135.36 1pk6 s VAL 186 Ca -0.01 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.39 1pk6 s VAL 186 Cb -0.05 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1pk6 s VAL 186 CO 0.02 0.36 -0.08 -0.76 0.00 0.00 0.00 175.10 174.64 1pk6 s LEU 187 N 0.77 1.86 -0.21 3.92 1.43 -0.10 -5.00 118.68 121.36 1pk6 s LEU 187 Ca 0.13 -0.16 -0.21 0.00 -1.03 0.00 0.00 54.13 52.86 1pk6 s LEU 187 Cb -0.13 -0.47 -0.02 0.00 0.03 0.00 0.00 46.19 45.59 1pk6 s LEU 187 CO 0.03 0.07 0.62 -0.75 0.23 0.00 0.00 176.35 176.56 1pk6 s LYS 188 N 0.06 4.19 -0.07 1.70 2.20 -1.26 -1.11 119.74 125.45 1pk6 s LYS 188 Ca -0.01 0.59 0.01 0.00 -0.36 0.00 0.00 55.97 56.20 1pk6 s LYS 188 Cb -0.06 -3.59 -0.03 0.00 -1.51 0.00 0.00 37.83 32.63 1pk6 s LYS 188 CO 0.00 -0.28 -0.08 -0.51 -0.36 0.00 0.00 175.35 174.13 1pk6 s LEU 189 N 2.04 3.13 0.14 5.43 1.02 0.26 -4.98 118.68 125.72 1pk6 s LEU 189 Ca 0.28 -0.04 0.03 0.00 0.02 0.00 0.00 54.13 54.42 1pk6 s LEU 189 Cb -0.16 -1.68 -0.04 0.00 0.02 0.00 0.00 46.19 44.34 1pk6 s LEU 189 CO 0.10 0.36 0.21 -1.61 0.02 0.00 0.00 176.35 175.42 1pk6 s GLU 190 N -0.78 3.20 0.32 1.70 2.02 -1.26 -0.27 118.70 123.63 1pk6 s GLU 190 Ca 0.12 -0.69 -0.29 0.00 0.02 0.00 0.00 54.97 54.14 1pk6 s GLU 190 Cb -0.11 -2.84 -0.13 0.00 0.10 0.00 0.00 34.13 31.15 1pk6 s GLU 190 CO 0.01 0.52 1.29 0.94 0.02 0.00 0.00 175.26 178.05 1pk6 n GLN 191 N -0.32 2.07 0.00 1.61 7.27 -1.26 -2.03 117.38 124.72 1pk6 n GLN 191 Ca -0.07 0.73 0.00 0.00 0.07 0.00 0.00 57.00 57.72 1pk6 n GLN 191 Cb 0.54 -2.31 0.00 0.00 2.41 0.00 0.00 30.24 30.88 1pk6 n GLN 191 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1pk6 n GLY 192 N 1.04 2.61 3.79 1.69 0.00 0.13 -4.99 105.19 109.46 1pk6 n GLY 192 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1pk6 n GLY 192 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pk6 s GLU 193 N -0.35 4.15 0.02 1.61 2.02 -0.86 -4.66 118.70 120.63 1pk6 s GLU 193 Ca 0.00 1.39 0.08 0.00 0.02 0.00 0.00 54.97 56.46 1pk6 s GLU 193 Cb 0.00 -2.42 -0.02 0.00 0.10 0.00 0.00 34.13 31.78 1pk6 s GLU 193 CO 0.00 -0.13 -0.23 0.54 0.02 0.00 0.00 175.26 175.46 1pk6 s ASN 194 N -1.76 2.71 -0.05 -0.19 2.20 0.23 -0.09 114.94 117.99 1pk6 s ASN 194 Ca 0.59 -0.49 0.06 0.00 -0.94 0.00 0.00 52.86 52.08 1pk6 s ASN 194 Cb -0.18 -0.26 -0.02 0.00 -2.00 0.00 0.00 41.25 38.79 1pk6 s ASN 194 CO 0.23 0.23 -0.23 -0.69 -2.94 0.00 0.00 177.10 173.70 1pk6 s VAL 195 N -0.69 2.30 0.18 3.54 1.01 0.58 -2.47 120.40 124.85 1pk6 s VAL 195 Ca 0.09 -0.99 -0.24 0.00 0.00 0.00 0.00 61.98 60.84 1pk6 s VAL 195 Cb -0.09 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.49 1pk6 s VAL 195 CO 0.01 0.57 0.82 0.72 0.00 0.00 0.00 175.10 177.22 1pk6 s PHE 196 N -0.35 -0.23 -0.10 5.22 -0.12 -1.01 -0.16 117.98 121.23 1pk6 s PHE 196 Ca 0.02 -0.10 -0.05 0.00 -0.05 0.00 0.00 56.93 56.75 1pk6 s PHE 196 Cb -0.12 0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 1pk6 s PHE 196 CO 0.02 -0.95 0.08 -0.51 -0.05 0.00 0.00 175.22 173.81 1pk6 s LEU 197 N -2.86 4.03 -0.08 -1.99 1.43 -1.26 -0.59 118.68 117.36 1pk6 s LEU 197 Ca 0.10 0.33 0.04 0.00 -1.03 0.00 0.00 54.13 53.56 1pk6 s LEU 197 Cb -0.03 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1pk6 s LEU 197 CO 0.01 0.39 -0.20 -1.58 0.23 0.00 0.00 176.35 175.20 1pk6 s GLN 198 N -0.98 2.54 0.80 1.70 0.74 -0.50 -0.25 119.66 123.70 1pk6 s GLN 198 Ca 0.14 -0.73 -0.11 0.00 0.05 0.00 0.00 55.36 54.72 1pk6 s GLN 198 Cb -0.12 -1.98 0.07 0.00 1.10 0.00 0.00 33.01 32.08 1pk6 s GLN 198 CO 0.03 0.15 1.09 0.00 -0.55 0.00 0.00 175.29 176.02 1pk6 s ALA 199 N 0.38 2.12 0.00 1.58 0.00 0.13 -1.45 121.76 124.51 1pk6 s ALA 199 Ca -0.16 0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1pk6 s ALA 199 Cb -0.17 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1pk6 s ALA 199 CO 0.07 -1.86 0.00 0.25 0.00 0.00 0.00 175.76 174.21 1pk6 n THR 200 N -3.58 0.00 0.21 0.00 -2.24 -1.22 -0.90 114.28 106.55 1pk6 n THR 200 Ca 0.08 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.93 1pk6 n THR 200 Cb 0.54 0.00 0.47 0.00 -2.10 0.00 0.00 70.33 69.23 1pk6 n THR 200 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1pk6 h ASP 201 N 0.00 0.00 -3.11 3.42 3.58 -1.92 -3.35 116.42 115.05 1pk6 h ASP 201 Ca 0.00 0.00 -0.75 0.00 0.42 0.00 0.00 57.03 56.70 1pk6 h ASP 201 Cb 0.00 0.00 -0.24 0.00 1.72 0.00 0.00 39.33 40.81 1pk6 h ASP 201 CO 0.00 0.29 -0.21 -0.54 -2.88 0.00 0.00 179.24 175.89 1pk6 s LYS 202 N -4.11 2.99 -0.16 0.28 3.01 -1.26 -4.91 119.74 115.58 1pk6 s LYS 202 Ca -0.02 -1.64 0.18 0.00 -1.01 0.00 0.00 55.97 53.48 1pk6 s LYS 202 Cb 0.13 -4.28 0.42 0.00 -1.01 0.00 0.00 37.83 33.10 1pk6 s LYS 202 CO 0.68 -1.30 1.30 0.27 0.51 0.00 0.00 175.35 176.80 1pk6 n ASN 203 N 5.31 3.17 -4.55 2.83 6.94 -1.25 -1.79 115.26 125.93 1pk6 n ASN 203 Ca -0.14 -3.06 -0.35 0.00 -0.02 0.00 0.00 54.58 51.02 1pk6 n ASN 203 Cb 0.41 -0.49 -0.04 0.00 -2.36 0.00 0.00 39.78 37.30 1pk6 n ASN 203 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1pk6 s SER 204 N -2.38 5.28 -0.04 0.53 0.15 -1.08 -4.52 113.70 111.64 1pk6 s SER 204 Ca 0.38 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1pk6 s SER 204 Cb 0.31 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 62.11 1pk6 s SER 204 CO 0.06 -2.47 -0.01 -0.22 1.20 0.00 0.00 173.24 171.80 1pk6 s LEU 205 N 9.23 1.11 -0.13 3.45 0.20 -1.26 -4.32 118.68 126.95 1pk6 s LEU 205 Ca 0.67 -0.06 -0.06 0.00 0.69 0.00 0.00 54.13 55.37 1pk6 s LEU 205 Cb -0.10 -0.32 -0.04 0.00 -0.43 0.00 0.00 46.19 45.29 1pk6 s LEU 205 CO 0.13 -0.10 0.08 -0.76 -0.29 0.00 0.00 176.35 175.41 1pk6 s LEU 206 N 1.15 3.99 -0.36 -0.68 1.43 -0.30 -4.96 118.68 118.95 1pk6 s LEU 206 Ca -0.08 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1pk6 s LEU 206 Cb -0.14 -1.97 0.12 0.00 0.03 0.00 0.00 46.19 44.24 1pk6 s LEU 206 CO -0.02 0.33 0.18 -0.83 0.23 0.00 0.00 176.35 176.24 1pk6 s GLY 207 N -0.55 1.16 0.23 -3.19 0.00 -1.26 -3.90 107.32 99.81 1pk6 s GLY 207 Ca 0.11 -1.98 -0.22 0.00 0.00 0.00 0.00 44.72 42.62 1pk6 s GLY 207 CO 0.02 1.76 0.77 -3.16 0.00 0.00 0.00 173.10 172.50 1pk6 s MET 208 N 1.08 1.58 0.09 2.90 0.23 -0.94 -4.37 119.30 119.87 1pk6 s MET 208 Ca 0.15 -0.85 -0.31 0.00 -1.03 0.00 0.00 55.69 53.65 1pk6 s MET 208 Cb -0.21 0.55 -0.09 0.00 -1.53 0.00 0.00 34.83 33.55 1pk6 s MET 208 CO -0.10 -0.72 1.73 -2.00 -2.03 0.00 0.00 175.02 171.89 1pk6 s GLU 209 N -3.73 4.17 0.00 3.16 2.56 -1.26 -1.76 118.70 121.84 1pk6 s GLU 209 Ca 0.10 2.43 0.00 0.00 0.00 0.00 0.00 54.97 57.51 1pk6 s GLU 209 Cb -0.04 -3.62 0.00 0.00 2.00 0.00 0.00 34.13 32.47 1pk6 s GLU 209 CO 0.04 -0.78 0.00 0.41 -0.56 0.00 0.00 175.26 174.37 1pk6 n GLY 210 N 4.10 0.74 2.71 -1.50 0.00 -1.26 -4.90 105.19 105.08 1pk6 n GLY 210 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 1pk6 n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pk6 n ALA 211 N 0.04 -2.68 -1.97 4.61 0.00 -0.72 -5.17 120.51 114.62 1pk6 n ALA 211 Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 53.44 52.48 1pk6 n ALA 211 Cb 0.00 -2.35 0.02 0.00 0.00 0.00 0.00 19.45 17.11 1pk6 n ALA 211 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1pk6 s ASN 212 N -0.03 6.04 -0.11 0.00 0.02 -1.16 -2.21 114.94 117.49 1pk6 s ASN 212 Ca 0.28 1.22 -0.02 0.00 -1.02 0.00 0.00 52.86 53.31 1pk6 s ASN 212 Cb 0.14 -2.27 0.04 0.00 0.02 0.00 0.00 41.25 39.18 1pk6 s ASN 212 CO -0.12 -0.92 0.02 -0.44 0.02 0.00 0.00 177.10 175.66 1pk6 s SER 213 N -4.21 1.95 0.08 -1.22 0.01 -1.25 -2.44 113.70 106.62 1pk6 s SER 213 Ca 0.54 -0.30 0.08 0.00 1.31 0.00 0.00 55.95 57.58 1pk6 s SER 213 Cb -0.11 -0.43 -0.03 0.00 0.21 0.00 0.00 66.02 65.66 1pk6 s SER 213 CO 0.51 -0.24 -0.21 -0.51 0.41 0.00 0.00 173.24 173.20 1pk6 s ILE 214 N 1.98 1.68 -0.06 1.44 2.07 0.04 -1.31 121.20 127.03 1pk6 s ILE 214 Ca 0.03 -1.43 0.01 0.00 -1.41 0.00 0.00 60.65 57.86 1pk6 s ILE 214 Cb -0.14 -1.51 0.02 0.00 0.13 0.00 0.00 42.46 40.96 1pk6 s ILE 214 CO -0.06 0.01 -0.09 0.12 -1.91 0.00 0.00 174.94 173.02 1pk6 s PHE 215 N -1.05 1.19 0.11 3.50 5.36 0.61 -1.58 117.98 126.12 1pk6 s PHE 215 Ca 0.06 -0.43 0.02 0.00 -0.96 0.00 0.00 56.93 55.62 1pk6 s PHE 215 Cb -0.10 -0.94 -0.04 0.00 -0.34 0.00 0.00 43.02 41.60 1pk6 s PHE 215 CO 0.03 -0.27 -0.06 -1.12 -1.46 0.00 0.00 175.22 172.34 1pk6 s SER 216 N 0.89 1.15 -0.14 6.13 0.01 0.43 -0.40 113.70 121.77 1pk6 s SER 216 Ca -0.11 -1.03 -0.29 0.00 1.31 0.00 0.00 55.95 55.84 1pk6 s SER 216 Cb -0.15 0.10 0.08 0.00 0.21 0.00 0.00 66.02 66.26 1pk6 s SER 216 CO 0.01 -0.48 0.76 -0.83 0.41 0.00 0.00 173.24 173.11 1pk6 s GLY 217 N -3.06 -0.49 0.04 3.44 0.00 -0.07 -1.20 107.32 105.98 1pk6 s GLY 217 Ca 0.13 1.72 -0.15 0.00 0.00 0.00 0.00 44.72 46.42 1pk6 s GLY 217 CO -0.04 1.26 0.34 -0.11 0.00 0.00 0.00 173.10 174.56 1pk6 s PHE 218 N -0.63 -0.17 0.02 1.90 -0.12 -0.49 -0.81 117.98 117.68 1pk6 s PHE 218 Ca -0.06 0.09 -0.30 0.00 -0.05 0.00 0.00 56.93 56.61 1pk6 s PHE 218 Cb -0.02 0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.47 1pk6 s PHE 218 CO 0.05 -0.52 0.99 -1.17 -0.05 0.00 0.00 175.22 174.53 1pk6 s LEU 219 N -1.97 4.39 -0.15 -1.99 2.96 -0.71 -1.17 118.68 120.04 1pk6 s LEU 219 Ca -0.06 1.71 -0.11 0.00 -0.22 0.00 0.00 54.13 55.45 1pk6 s LEU 219 Cb -0.01 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.06 1pk6 s LEU 219 CO -0.02 -0.24 -0.17 0.18 -1.32 0.00 0.00 176.35 174.78 1pk6 n LEU 220 N 3.71 1.83 -3.74 -0.68 4.77 0.22 -4.90 117.00 118.21 1pk6 n LEU 220 Ca 0.06 0.58 -0.13 0.00 -0.03 0.00 0.00 56.01 56.49 1pk6 n LEU 220 Cb 0.50 -0.86 -0.14 0.00 -2.33 0.00 0.00 43.42 40.59 1pk6 n LEU 220 CO 0.52 -0.38 -0.20 -0.36 -1.33 0.00 0.00 177.39 175.65 1pk6 s PHE 221 N -2.33 -0.21 0.31 -1.77 0.40 -1.09 -5.01 117.98 108.28 1pk6 s PHE 221 Ca -0.18 0.57 -0.29 0.00 -0.60 0.00 0.00 56.93 56.44 1pk6 s PHE 221 Cb 0.03 -0.04 -0.10 0.00 0.51 0.00 0.00 43.02 43.42 1pk6 s PHE 221 CO 0.28 -0.19 1.17 -2.14 0.70 0.00 0.00 175.22 175.04 1pk6 s PRO 222 N 1.18 4.48 0.00 0.24 0.02 -1.26 -0.78 135.00 138.89 1pk6 s PRO 222 Ca -0.09 1.93 0.17 0.00 0.02 0.00 0.00 61.00 63.03 1pk6 s PRO 222 Cb -0.11 -3.08 1.02 0.00 0.02 0.00 0.00 34.50 32.35 1pk6 s PRO 222 CO -0.07 0.03 1.43 -0.25 -0.33 0.00 0.00 177.00 177.80