#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tx6 n PRO 6 N 0.00 0.37 -3.67 5.56 -0.02 -1.26 -4.64 135.00 131.35 1tx6 n PRO 6 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.34 1tx6 n PRO 6 Cb 0.00 -1.16 -0.08 0.00 -0.02 0.00 0.00 33.50 32.24 1tx6 n PRO 6 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1tx6 s TRP 7 N -2.00 -0.64 0.14 6.00 -2.14 -1.26 -4.00 118.94 115.04 1tx6 s TRP 7 Ca 0.06 1.54 -0.11 0.00 2.66 0.00 0.00 56.10 60.25 1tx6 s TRP 7 Cb 0.03 0.23 -0.05 0.00 -3.10 0.00 0.00 33.47 30.58 1tx6 s TRP 7 CO 0.04 -0.33 1.46 0.87 -2.66 0.00 0.00 176.95 176.34 1tx6 h LYS 8 N 5.06 0.93 -3.38 3.25 1.79 -1.97 -3.46 116.57 118.79 1tx6 h LYS 8 Ca -0.28 -0.51 -0.06 0.00 -2.18 0.00 0.00 60.65 57.61 1tx6 h LYS 8 Cb 1.17 0.03 -0.14 0.00 -1.58 0.00 0.00 32.23 31.71 1tx6 h LYS 8 CO 0.15 1.16 -0.13 0.00 -1.08 0.00 0.00 179.45 179.55 1tx6 h ASP 11 N 8.00 0.01 -2.60 0.00 3.32 -1.92 -3.38 116.42 119.85 1tx6 h ASP 11 Ca -0.20 -0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.24 1tx6 h ASP 11 Cb 1.12 -0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.27 1tx6 h ASP 11 CO 0.18 0.81 -0.81 -0.62 -1.72 0.00 0.00 179.24 177.09 1tx6 n GLU 12 N -3.58 1.00 -3.00 3.56 1.02 -1.26 -4.96 120.64 113.42 1tx6 n GLU 12 Ca -0.01 -3.77 -0.43 0.00 -0.02 0.00 0.00 57.16 52.93 1tx6 n GLU 12 Cb 0.78 -1.91 -0.06 0.00 -0.02 0.00 0.00 31.44 30.23 1tx6 n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1tx6 s ALA 13 N -0.77 3.29 -0.39 0.62 0.00 -1.26 -1.29 121.76 121.96 1tx6 s ALA 13 Ca 0.30 -1.23 -0.28 0.00 0.00 0.00 0.00 51.96 50.75 1tx6 s ALA 13 Cb 0.03 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.68 1tx6 s ALA 13 CO -0.17 -2.03 1.05 0.08 0.00 0.00 0.00 175.76 174.69 1tx6 s VAL 14 N 3.24 4.44 -0.07 0.00 1.01 0.16 -4.87 120.40 124.31 1tx6 s VAL 14 Ca 0.26 1.41 0.04 0.00 0.00 0.00 0.00 61.98 63.68 1tx6 s VAL 14 Cb -0.14 -4.45 0.00 0.00 0.00 0.00 0.00 36.38 31.79 1tx6 s VAL 14 CO 0.19 -0.67 -0.18 0.00 0.00 0.00 0.00 175.10 174.45 1tx6 s THR 16 N 0.35 3.01 -0.58 0.00 -4.23 -0.75 -4.90 115.64 108.54 1tx6 s THR 16 Ca -0.12 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 1tx6 s THR 16 Cb -0.15 -2.70 0.45 0.00 1.34 0.00 0.00 72.50 71.44 1tx6 s THR 16 CO 0.05 -0.43 1.83 0.54 -0.54 0.00 0.00 174.62 176.07 1tx6 n ARG 17 N -3.68 2.92 -2.96 3.99 1.74 -1.26 -4.13 116.66 113.27 1tx6 n ARG 17 Ca 0.10 -3.51 -0.20 0.00 -0.77 0.00 0.00 57.85 53.47 1tx6 n ARG 17 Cb 0.53 -2.29 0.07 0.00 -1.02 0.00 0.00 32.46 29.75 1tx6 n ARG 17 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1tx6 s SER 18 N -2.26 4.99 -0.25 0.55 1.04 -1.26 -5.00 113.70 111.50 1tx6 s SER 18 Ca 0.62 -0.77 0.02 0.00 0.48 0.00 0.00 55.95 56.30 1tx6 s SER 18 Cb 0.49 0.24 0.06 0.00 0.10 0.00 0.00 66.02 66.90 1tx6 s SER 18 CO 0.00 -1.42 -0.08 -0.63 0.98 0.00 0.00 173.24 172.09 1tx6 s ILE 19 N -2.74 1.91 0.64 -1.02 1.01 -1.26 -2.29 121.20 117.46 1tx6 s ILE 19 Ca 0.62 -1.49 -0.07 0.00 0.00 0.00 0.00 60.65 59.72 1tx6 s ILE 19 Cb -0.06 -2.09 0.03 0.00 0.01 0.00 0.00 42.46 40.35 1tx6 s ILE 19 CO 0.40 -0.07 0.97 -2.16 0.00 0.00 0.00 174.94 174.07 1tx6 s PRO 20 N 1.22 2.68 0.42 2.79 0.04 -1.26 -5.13 135.00 135.76 1tx6 s PRO 20 Ca -0.07 -0.00 -0.24 0.00 0.04 0.00 0.00 61.00 60.73 1tx6 s PRO 20 Cb -0.20 -2.20 -0.08 0.00 0.04 0.00 0.00 34.50 32.07 1tx6 s PRO 20 CO -0.06 -0.92 1.15 -1.25 0.04 0.00 0.00 177.00 175.96 1tx6 s PRO 21 N -5.13 3.96 -0.32 0.56 0.04 -0.97 -4.83 135.00 128.30 1tx6 s PRO 21 Ca 0.56 1.75 -0.04 0.00 0.04 0.00 0.00 61.00 63.31 1tx6 s PRO 21 Cb -0.11 -2.54 0.04 0.00 0.04 0.00 0.00 34.50 31.93 1tx6 s PRO 21 CO 0.46 -0.38 0.06 0.42 0.04 0.00 0.00 177.00 177.60 1tx6 s ILE 22 N -1.51 3.44 0.22 0.56 1.01 -1.26 -0.57 121.20 123.09 1tx6 s ILE 22 Ca 0.60 -1.24 0.08 0.00 0.00 0.00 0.00 60.65 60.08 1tx6 s ILE 22 Cb -0.28 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 1tx6 s ILE 22 CO 0.35 -0.14 0.07 0.00 0.00 0.00 0.00 174.94 175.21 1tx6 s THR 24 N -2.01 -0.02 -0.23 0.00 2.01 -0.28 0.78 115.64 115.90 1tx6 s THR 24 Ca 0.30 0.07 -0.19 0.00 0.31 0.00 0.00 61.69 62.19 1tx6 s THR 24 Cb -0.08 -0.15 -0.03 0.00 0.01 0.00 0.00 72.50 72.25 1tx6 s THR 24 CO 0.21 0.03 0.55 0.00 -0.69 0.00 0.00 174.62 174.72 1tx6 n MET 26 N 5.19 2.10 -1.67 0.00 2.81 -0.41 -4.03 117.12 121.12 1tx6 n MET 26 Ca -0.03 -1.67 -0.46 0.00 -1.81 0.00 0.00 57.70 53.73 1tx6 n MET 26 Cb 0.50 -1.44 -0.04 0.00 -0.71 0.00 0.00 33.22 31.52 1tx6 n MET 26 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1tx6 n ASP 27 N 0.89 3.18 -4.76 7.83 8.00 -1.26 -4.90 116.55 125.53 1tx6 n ASP 27 Ca 0.17 1.08 -0.41 0.00 0.71 0.00 0.00 54.79 56.35 1tx6 n ASP 27 Cb 0.46 -1.44 -0.03 0.00 -0.02 0.00 0.00 41.12 40.09 1tx6 n ASP 27 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1tx6 s GLU 28 N 1.01 4.45 0.16 -1.24 2.12 -1.26 -4.32 118.70 119.62 1tx6 s GLU 28 Ca 0.79 2.06 0.04 0.00 0.36 0.00 0.00 54.97 58.22 1tx6 s GLU 28 Cb -0.66 -3.13 -0.05 0.00 0.26 0.00 0.00 34.13 30.55 1tx6 s GLU 28 CO 0.38 -0.07 -0.08 0.14 -0.54 0.00 0.00 175.26 175.08 1tx6 s VAL 29 N -0.95 1.10 0.03 3.70 -7.23 0.21 -4.97 120.40 112.28 1tx6 s VAL 29 Ca 0.49 -2.05 -0.01 0.00 -1.81 0.00 0.00 61.98 58.60 1tx6 s VAL 29 Cb -0.37 -1.94 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 1tx6 s VAL 29 CO 0.47 -0.66 -0.02 0.49 -0.31 0.00 0.00 175.10 175.06 1tx6 n PHE 30 N -0.23 0.00 -0.19 2.82 3.01 -1.26 -4.16 117.46 117.44 1tx6 n PHE 30 Ca -0.09 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.44 1tx6 n PHE 30 Cb 0.61 -0.05 0.36 0.00 -0.01 0.00 0.00 39.48 40.40 1tx6 n PHE 30 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1tx6 h GLU 31 N -0.06 0.71 0.00 -1.08 5.08 -2.01 -3.51 114.58 113.71 1tx6 h GLU 31 Ca -0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1tx6 h GLU 31 Cb 0.60 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1tx6 h GLU 31 CO -0.01 0.47 0.00 0.00 -1.00 0.00 0.00 179.01 178.47 1tx6 n LYS 37 N 0.89 0.61 -3.97 0.00 4.81 -1.26 -4.89 118.16 114.35 1tx6 n LYS 37 Ca 0.00 0.41 -0.31 0.00 -0.87 0.00 0.00 58.31 57.54 1tx6 n LYS 37 Cb 0.00 -1.65 -0.16 0.00 0.02 0.00 0.00 35.03 33.24 1tx6 n LYS 37 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1tx6 s SER 38 N -7.04 3.87 -0.12 3.14 0.15 -1.26 -5.10 113.70 107.33 1tx6 s SER 38 Ca -0.31 -1.16 -0.07 0.00 0.70 0.00 0.00 55.95 55.10 1tx6 s SER 38 Cb 0.09 -1.24 -0.04 0.00 -1.71 0.00 0.00 66.02 63.12 1tx6 s SER 38 CO 0.59 -0.22 0.14 0.00 1.20 0.00 0.00 173.24 174.96 1tx6 n GLY 40 N 2.09 2.34 3.85 0.00 0.00 -0.07 -4.91 105.19 108.48 1tx6 n GLY 40 Ca -0.20 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 1tx6 n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1tx6 s PRO 41 N -2.05 3.90 0.45 1.61 0.04 -1.26 0.07 135.00 137.76 1tx6 s PRO 41 Ca 0.03 0.37 -0.14 0.00 0.04 0.00 0.00 61.00 61.30 1tx6 s PRO 41 Cb -0.00 -2.95 -0.07 0.00 0.04 0.00 0.00 34.50 31.51 1tx6 s PRO 41 CO 0.02 0.51 0.88 0.45 0.04 0.00 0.00 177.00 178.89 1tx6 s SER 42 N -1.74 6.61 0.21 6.66 0.15 0.95 -4.84 113.70 121.69 1tx6 s SER 42 Ca 0.36 1.37 -0.31 0.00 0.70 0.00 0.00 55.95 58.08 1tx6 s SER 42 Cb -0.15 -2.42 -0.16 0.00 -1.71 0.00 0.00 66.02 61.58 1tx6 s SER 42 CO 0.19 -0.47 0.96 0.23 1.20 0.00 0.00 173.24 175.35 1tx6 n MET 43 N -1.33 0.90 0.00 5.44 2.81 -1.26 -4.11 117.12 119.56 1tx6 n MET 43 Ca 0.05 0.32 0.00 0.00 -1.81 0.00 0.00 57.70 56.25 1tx6 n MET 43 Cb 0.54 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 1tx6 n MET 43 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1tx6 n GLY 44 N 1.71 1.10 3.43 3.03 0.00 -1.26 -4.89 105.19 108.32 1tx6 n GLY 44 Ca 0.14 -0.81 -0.54 0.00 0.00 0.00 0.00 46.02 44.81 1tx6 n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1tx6 n ASP 45 N 5.38 1.82 0.00 1.61 3.85 -1.26 -4.77 116.55 123.18 1tx6 n ASP 45 Ca 0.00 0.56 0.09 0.00 -0.71 0.00 0.00 54.79 54.73 1tx6 n ASP 45 Cb 0.00 -1.16 0.43 0.00 -1.35 0.00 0.00 41.12 39.04 1tx6 n ASP 45 CO 0.00 0.00 0.00 -0.81 -1.01 0.00 0.00 177.20 175.38 1tx6 n PRO 46 N 7.69 0.15 0.08 0.11 -0.04 -1.26 -1.73 135.00 139.99 1tx6 n PRO 46 Ca 0.43 0.15 0.13 0.00 -0.04 0.00 0.00 63.50 64.17 1tx6 n PRO 46 Cb 0.15 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.50 1tx6 n PRO 46 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1tx6 n SER 47 N -1.37 0.65 -4.38 3.54 2.88 -1.26 -4.54 113.62 109.14 1tx6 n SER 47 Ca 0.07 0.44 -0.45 0.00 -1.33 0.00 0.00 58.87 57.60 1tx6 n SER 47 Cb 0.17 -0.52 -0.03 0.00 -0.75 0.00 0.00 64.21 63.08 1tx6 n SER 47 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1tx6 s ARG 48 N -3.09 3.41 0.35 -1.46 3.52 -0.70 -5.03 118.95 115.95 1tx6 s ARG 48 Ca 0.10 -1.85 -0.26 0.00 -0.13 0.00 0.00 55.73 53.60 1tx6 s ARG 48 Cb 0.14 -4.54 -0.09 0.00 -1.56 0.00 0.00 34.95 28.90 1tx6 s ARG 48 CO 0.61 -1.53 1.03 1.03 -0.81 0.00 0.00 175.30 175.63 1tx6 s ARG 49 N 1.84 4.38 0.12 5.12 0.52 -1.26 -0.04 118.95 129.63 1tx6 s ARG 49 Ca 0.21 1.52 -0.09 0.00 -0.52 0.00 0.00 55.73 56.84 1tx6 s ARG 49 Cb -0.13 -2.75 -0.00 0.00 0.52 0.00 0.00 34.95 32.59 1tx6 s ARG 49 CO -0.04 0.05 0.25 0.96 0.02 0.00 0.00 175.30 176.54 1tx6 s ILE 50 N -1.54 0.11 -0.18 1.52 -4.36 0.11 -0.62 121.20 116.23 1tx6 s ILE 50 Ca 0.53 -1.21 -0.22 0.00 -0.26 0.00 0.00 60.65 59.48 1tx6 s ILE 50 Cb -0.23 -1.53 -0.02 0.00 1.25 0.00 0.00 42.46 41.93 1tx6 s ILE 50 CO 0.29 -0.48 0.70 0.00 0.24 0.00 0.00 174.94 175.69 1tx6 n GLN 52 N 5.06 1.86 -2.57 0.00 6.02 -0.02 -4.33 117.38 123.40 1tx6 n GLN 52 Ca 0.01 -1.19 -0.42 0.00 -0.01 0.00 0.00 57.00 55.39 1tx6 n GLN 52 Cb 0.49 -1.32 -0.03 0.00 1.02 0.00 0.00 30.24 30.41 1tx6 n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1tx6 s ASP 53 N -0.92 7.22 0.13 1.08 1.01 -1.26 -4.98 116.67 118.94 1tx6 s ASP 53 Ca 0.22 1.80 -0.02 0.00 0.71 0.00 0.00 52.55 55.26 1tx6 s ASP 53 Cb 0.12 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.43 1tx6 s ASP 53 CO 0.14 -0.39 0.33 -1.10 0.21 0.00 0.00 175.17 174.36 1tx6 s GLN 54 N 1.23 3.54 -0.00 8.23 -0.21 -1.26 -4.16 119.66 127.03 1tx6 s GLN 54 Ca 0.55 -0.26 0.03 0.00 0.02 0.00 0.00 55.36 55.70 1tx6 s GLN 54 Cb -0.24 -2.90 -0.01 0.00 1.00 0.00 0.00 33.01 30.85 1tx6 s GLN 54 CO 0.27 0.50 -0.10 -0.47 -2.12 0.00 0.00 175.29 173.37 1tx6 s TYR 55 N -1.66 0.89 -0.40 0.91 5.04 0.23 -4.95 117.35 117.41 1tx6 s TYR 55 Ca 0.39 -0.19 -0.17 0.00 -2.44 0.00 0.00 57.07 54.66 1tx6 s TYR 55 Cb -0.12 -0.57 0.01 0.00 0.35 0.00 0.00 41.96 41.64 1tx6 s TYR 55 CO 0.27 -0.01 0.44 0.08 -1.34 0.00 0.00 175.55 174.98 1tx6 s VAL 56 N -0.31 5.08 -2.68 3.14 1.01 -1.26 -0.08 120.40 125.29 1tx6 s VAL 56 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1tx6 s VAL 56 Cb -0.04 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1tx6 s VAL 56 CO -0.00 -0.36 0.00 0.61 0.00 0.00 0.00 175.10 175.35 1tx6 n GLY 57 N 5.05 0.96 3.66 4.51 0.00 0.27 -4.98 105.19 114.66 1tx6 n GLY 57 Ca -0.07 -2.13 -0.44 0.00 0.00 0.00 0.00 46.02 43.38 1tx6 n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tx6 n ASP 58 N 1.61 2.37 0.16 1.61 2.03 -1.26 -4.60 116.55 118.47 1tx6 n ASP 58 Ca 0.00 1.17 0.01 0.00 0.52 0.00 0.00 54.79 56.50 1tx6 n ASP 58 Cb 0.00 -1.41 0.27 0.00 -0.72 0.00 0.00 41.12 39.26 1tx6 n ASP 58 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1tx6 h PRO 59 N 3.08 0.00 0.00 -0.67 0.13 -1.96 -3.50 132.00 129.08 1tx6 h PRO 59 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1tx6 h PRO 59 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1tx6 h PRO 59 CO 0.67 0.49 0.00 0.41 -0.23 0.00 0.00 178.00 179.34 1tx6 n GLY 60 N -0.08 -1.50 3.77 1.56 0.00 -1.26 -4.78 105.19 102.91 1tx6 n GLY 60 Ca -0.01 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.62 1tx6 n GLY 60 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1tx6 s PRO 61 N 0.00 2.69 -0.14 1.61 0.02 -1.26 -4.87 135.00 133.05 1tx6 s PRO 61 Ca 0.00 1.30 -0.17 0.00 0.02 0.00 0.00 61.00 62.14 1tx6 s PRO 61 Cb 0.00 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 1tx6 s PRO 61 CO 0.00 -1.32 0.45 0.42 -0.33 0.00 0.00 177.00 176.21 1tx6 s ILE 62 N -2.53 5.20 0.13 2.83 1.01 -1.26 -1.78 121.20 124.80 1tx6 s ILE 62 Ca 0.65 0.87 -0.25 0.00 0.00 0.00 0.00 60.65 61.92 1tx6 s ILE 62 Cb -0.19 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1tx6 s ILE 62 CO 0.46 0.32 1.63 0.00 0.00 0.00 0.00 174.94 177.35 1tx6 s ARG 64 N -6.06 1.45 0.00 0.00 1.70 -1.26 -4.93 118.95 109.85 1tx6 s ARG 64 Ca -0.15 1.69 0.21 0.00 -0.47 0.00 0.00 55.73 57.01 1tx6 s ARG 64 Cb 0.10 -1.76 1.24 0.00 -0.57 0.00 0.00 34.95 33.95 1tx6 s ARG 64 CO 0.66 -2.34 1.68 -2.30 -1.08 0.00 0.00 175.30 171.92 1tx6 n PRO 65 N -3.59 0.81 -3.91 3.89 -0.02 -1.26 -4.76 135.00 126.17 1tx6 n PRO 65 Ca 0.13 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.50 1tx6 n PRO 65 Cb 0.51 -1.40 -0.11 0.00 -0.02 0.00 0.00 33.50 32.48 1tx6 n PRO 65 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1tx6 s TRP 66 N -2.00 0.09 0.25 6.00 0.51 -1.26 -3.68 118.94 118.85 1tx6 s TRP 66 Ca 0.31 -0.19 -0.03 0.00 -2.12 0.00 0.00 56.10 54.07 1tx6 s TRP 66 Cb 0.14 -0.08 0.30 0.00 -0.81 0.00 0.00 33.47 33.02 1tx6 s TRP 66 CO 0.24 -0.17 1.73 1.49 -0.51 0.00 0.00 176.95 179.73 1tx6 h GLU 67 N 4.96 0.79 -2.54 4.98 4.81 -1.97 -3.46 114.58 122.15 1tx6 h GLU 67 Ca -0.29 -0.24 0.14 0.00 -0.13 0.00 0.00 59.36 58.84 1tx6 h GLU 67 Cb 1.20 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.44 1tx6 h GLU 67 CO 0.43 0.83 0.44 0.00 -0.73 0.00 0.00 179.01 179.98 1tx6 n ASP 70 N 4.14 2.10 -4.18 0.00 10.43 -1.26 -3.66 116.55 124.13 1tx6 n ASP 70 Ca -0.21 0.20 -0.39 0.00 2.57 0.00 0.00 54.79 56.96 1tx6 n ASP 70 Cb 0.57 -0.84 -0.05 0.00 1.84 0.00 0.00 41.12 42.64 1tx6 n ASP 70 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1tx6 s LYS 71 N -2.55 3.37 -0.15 -1.24 1.02 -1.26 -4.99 119.74 113.94 1tx6 s LYS 71 Ca -0.24 -3.01 -0.05 0.00 0.02 0.00 0.00 55.97 52.69 1tx6 s LYS 71 Cb 0.07 -4.10 -0.03 0.00 -0.52 0.00 0.00 37.83 33.24 1tx6 s LYS 71 CO 0.75 -1.25 0.02 0.00 -0.92 0.00 0.00 175.35 173.95 1tx6 s ALA 72 N -0.88 3.26 -0.17 5.17 0.00 -1.26 -1.60 121.76 126.28 1tx6 s ALA 72 Ca 0.25 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 1tx6 s ALA 72 Cb -0.11 -1.72 -0.00 0.00 0.00 0.00 0.00 23.12 21.29 1tx6 s ALA 72 CO -0.09 0.28 -0.12 0.42 0.00 0.00 0.00 175.76 176.25 1tx6 s ILE 73 N 0.10 2.88 0.11 0.00 1.01 -1.01 -4.99 121.20 119.30 1tx6 s ILE 73 Ca 0.03 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1tx6 s ILE 73 Cb -0.13 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1tx6 s ILE 73 CO 0.02 0.49 -0.04 0.00 0.00 0.00 0.00 174.94 175.40 1tx6 s THR 75 N -3.68 3.72 -0.47 0.00 -4.23 -0.88 -4.97 115.64 105.13 1tx6 s THR 75 Ca 0.14 0.56 0.03 0.00 -1.18 0.00 0.00 61.69 61.24 1tx6 s THR 75 Cb 0.06 -3.52 0.57 0.00 1.34 0.00 0.00 72.50 70.95 1tx6 s THR 75 CO -0.03 -0.73 1.83 0.54 -0.54 0.00 0.00 174.62 175.69 1tx6 n ARG 76 N -2.99 2.37 -2.44 3.99 1.74 -1.26 -4.39 116.66 113.68 1tx6 n ARG 76 Ca 0.07 -3.18 -0.23 0.00 -0.77 0.00 0.00 57.85 53.73 1tx6 n ARG 76 Cb 0.56 -2.15 0.06 0.00 -1.02 0.00 0.00 32.46 29.91 1tx6 n ARG 76 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1tx6 s SER 77 N -1.79 4.92 -0.16 0.55 1.04 -1.26 -4.98 113.70 112.01 1tx6 s SER 77 Ca 0.57 0.14 -0.02 0.00 0.48 0.00 0.00 55.95 57.11 1tx6 s SER 77 Cb 0.47 -0.85 0.05 0.00 0.10 0.00 0.00 66.02 65.79 1tx6 s SER 77 CO 0.05 -1.45 0.02 0.21 0.98 0.00 0.00 173.24 173.05 1tx6 s ASN 78 N -4.51 2.57 0.72 7.02 2.47 -1.26 -1.93 114.94 120.02 1tx6 s ASN 78 Ca 0.60 -0.63 -0.13 0.00 0.42 0.00 0.00 52.86 53.12 1tx6 s ASN 78 Cb -0.10 -0.57 0.03 0.00 -1.45 0.00 0.00 41.25 39.17 1tx6 s ASN 78 CO 0.42 -0.27 1.11 -2.84 -3.72 0.00 0.00 177.10 171.79 1tx6 s PRO 79 N 1.88 2.46 0.09 0.43 0.02 -1.26 -5.18 135.00 133.44 1tx6 s PRO 79 Ca 0.01 1.30 0.01 0.00 0.02 0.00 0.00 61.00 62.33 1tx6 s PRO 79 Cb -0.16 -1.91 0.02 0.00 0.02 0.00 0.00 34.50 32.46 1tx6 s PRO 79 CO -0.07 -1.50 0.12 -0.35 -0.33 0.00 0.00 177.00 174.87 1tx6 n PRO 80 N -3.01 0.70 -4.73 5.54 -0.04 -0.82 -4.84 135.00 127.80 1tx6 n PRO 80 Ca 0.10 -0.37 -0.26 0.00 -0.04 0.00 0.00 63.50 62.92 1tx6 n PRO 80 Cb 0.52 -0.06 -0.17 0.00 -0.04 0.00 0.00 33.50 33.75 1tx6 n PRO 80 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1tx6 s THR 81 N 0.11 1.35 0.11 0.52 2.01 -1.26 -1.75 115.64 116.72 1tx6 s THR 81 Ca 0.08 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.53 1tx6 s THR 81 Cb -0.01 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 1tx6 s THR 81 CO 0.05 0.40 -0.13 0.00 -0.69 0.00 0.00 174.62 174.26 1tx6 s ARG 83 N -2.62 1.03 -0.20 0.00 3.52 -0.81 -0.78 118.95 119.09 1tx6 s ARG 83 Ca 0.07 -0.08 -0.23 0.00 -0.13 0.00 0.00 55.73 55.36 1tx6 s ARG 83 Cb -0.05 -1.21 -0.02 0.00 -1.56 0.00 0.00 34.95 32.11 1tx6 s ARG 83 CO 0.02 -0.25 0.72 0.00 -0.81 0.00 0.00 175.30 174.98 1tx6 n VAL 85 N 4.85 1.58 -1.94 0.00 0.24 -0.63 -4.46 118.33 117.97 1tx6 n VAL 85 Ca 0.02 -1.04 -0.42 0.00 -2.04 0.00 0.00 64.34 60.86 1tx6 n VAL 85 Cb 0.49 0.11 -0.02 0.00 -1.47 0.00 0.00 33.84 32.94 1tx6 n VAL 85 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1tx6 s ASP 86 N -0.86 6.57 -0.28 -1.34 1.11 -1.26 -4.98 116.67 115.64 1tx6 s ASP 86 Ca 0.46 2.73 -0.16 0.00 0.18 0.00 0.00 52.55 55.76 1tx6 s ASP 86 Cb 0.29 -2.62 -0.03 0.00 1.07 0.00 0.00 42.92 41.63 1tx6 s ASP 86 CO 0.23 -0.78 0.42 -1.61 1.18 0.00 0.00 175.17 174.61 1tx6 s GLU 87 N -0.12 3.98 0.48 8.23 2.02 -1.26 -4.45 118.70 127.58 1tx6 s GLU 87 Ca 0.62 0.08 0.04 0.00 0.02 0.00 0.00 54.97 55.73 1tx6 s GLU 87 Cb -0.44 -3.67 -0.03 0.00 0.10 0.00 0.00 34.13 30.09 1tx6 s GLU 87 CO 0.42 -0.33 0.07 0.08 0.02 0.00 0.00 175.26 175.52 1tx6 s VAL 88 N 2.15 1.57 -0.70 2.63 1.01 0.26 -4.93 120.40 122.38 1tx6 s VAL 88 Ca 0.17 -1.91 0.23 0.00 0.00 0.00 0.00 61.98 60.47 1tx6 s VAL 88 Cb -0.16 -2.48 -0.11 0.00 0.00 0.00 0.00 36.38 33.63 1tx6 s VAL 88 CO 0.10 0.00 1.06 0.29 0.00 0.00 0.00 175.10 176.55 1tx6 n LYS 89 N -1.24 0.22 -3.64 2.72 4.76 -1.26 -1.17 118.16 118.55 1tx6 n LYS 89 Ca -0.11 -0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.27 1tx6 n LYS 89 Cb 0.66 -1.57 -0.07 0.00 -1.84 0.00 0.00 35.03 32.22 1tx6 n LYS 89 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1tx6 s LYS 90 N -3.15 0.60 0.91 1.97 2.20 -1.26 -4.81 119.74 116.19 1tx6 s LYS 90 Ca 0.05 1.04 -0.13 0.00 -0.36 0.00 0.00 55.97 56.57 1tx6 s LYS 90 Cb 0.15 0.14 0.14 0.00 -1.51 0.00 0.00 37.83 36.75 1tx6 s LYS 90 CO 0.80 -0.13 1.17 0.00 -0.36 0.00 0.00 175.35 176.82 1tx6 s ALA 92 N -3.40 3.09 -1.24 0.00 0.00 -1.26 -4.91 121.76 114.04 1tx6 s ALA 92 Ca 0.65 0.40 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1tx6 s ALA 92 Cb -0.12 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1tx6 s ALA 92 CO 0.52 0.15 0.87 -0.35 0.00 0.00 0.00 175.76 176.95 1tx6 n PRO 93 N -0.40 0.00 0.00 0.00 -0.04 -1.26 -0.53 135.00 132.77 1tx6 n PRO 93 Ca 0.06 0.37 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 1tx6 n PRO 93 Cb 0.53 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.59 1tx6 n PRO 93 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1tx6 n THR 94 N -1.37 0.00 -2.83 0.52 -2.24 -1.26 -4.89 114.28 102.22 1tx6 n THR 94 Ca 0.00 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.05 1tx6 n THR 94 Cb 0.00 1.18 -0.04 0.00 -2.10 0.00 0.00 70.33 69.38 1tx6 n THR 94 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tx6 h LYS 96 N 7.26 -0.10 -4.81 0.00 3.64 -1.90 -3.43 116.57 117.24 1tx6 h LYS 96 Ca -0.29 0.01 -0.68 0.00 -1.27 0.00 0.00 60.65 58.41 1tx6 h LYS 96 Cb 1.13 0.02 -0.32 0.00 -0.41 0.00 0.00 32.23 32.65 1tx6 h LYS 96 CO 0.85 0.40 -0.71 0.99 -2.27 0.00 0.00 179.45 178.71 1tx6 s THR 97 N -3.93 2.98 -0.42 1.00 2.01 -1.26 -5.06 115.64 110.96 1tx6 s THR 97 Ca -0.15 -1.25 -0.03 0.00 0.31 0.00 0.00 61.69 60.57 1tx6 s THR 97 Cb 0.01 -2.65 0.11 0.00 0.01 0.00 0.00 72.50 69.98 1tx6 s THR 97 CO 0.61 -0.01 0.22 0.00 -0.69 0.00 0.00 174.62 174.76 1tx6 n LEU 99 N 4.54 6.11 -4.27 0.00 4.77 -1.26 -4.85 117.00 122.04 1tx6 n LEU 99 Ca -0.02 -4.73 -0.15 0.00 -0.03 0.00 0.00 56.01 51.08 1tx6 n LEU 99 Cb 0.41 -0.67 -0.10 0.00 -2.33 0.00 0.00 43.42 40.73 1tx6 n LEU 99 CO 0.33 1.90 -0.41 0.00 -1.33 0.00 0.00 177.39 177.88 1tx6 s ARG 108 N -3.73 1.12 0.01 3.23 3.03 -0.32 -5.02 118.95 117.27 1tx6 s ARG 108 Ca 0.54 -1.49 -0.03 0.00 2.03 0.00 0.00 55.73 56.79 1tx6 s ARG 108 Cb 0.44 -0.71 -0.01 0.00 -1.03 0.00 0.00 34.95 33.65 1tx6 s ARG 108 CO -0.10 0.08 0.04 0.08 -1.13 0.00 0.00 175.30 174.27 1tx6 s VAL 109 N -3.27 0.09 -0.27 4.99 1.01 -1.26 -0.58 120.40 121.10 1tx6 s VAL 109 Ca 0.18 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.31 1tx6 s VAL 109 Cb 0.02 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1tx6 s VAL 109 CO 0.02 -0.40 0.29 0.00 0.00 0.00 0.00 175.10 175.01 1tx6 n ILE 111 N 5.07 0.00 -1.54 0.00 -5.35 -0.90 -4.50 119.36 112.14 1tx6 n ILE 111 Ca -0.11 -0.15 -0.41 0.00 -0.27 0.00 0.00 62.75 61.81 1tx6 n ILE 111 Cb 0.51 0.37 0.02 0.00 -1.74 0.00 0.00 39.64 38.80 1tx6 n ILE 111 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1tx6 n ASP 112 N -0.51 0.19 -4.01 7.28 9.92 -1.26 -4.96 116.55 123.21 1tx6 n ASP 112 Ca 0.14 0.94 -0.32 0.00 -0.53 0.00 0.00 54.79 55.02 1tx6 n ASP 112 Cb 0.34 -1.25 -0.13 0.00 -0.64 0.00 0.00 41.12 39.45 1tx6 n ASP 112 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1tx6 s SER 113 N -0.90 4.67 -0.00 -2.24 0.15 -1.26 -4.37 113.70 109.74 1tx6 s SER 113 Ca 0.65 -2.89 -0.28 0.00 0.70 0.00 0.00 55.95 54.13 1tx6 s SER 113 Cb -0.56 -1.71 -0.03 0.00 -1.71 0.00 0.00 66.02 62.01 1tx6 s SER 113 CO 0.56 -0.29 0.91 -0.47 1.20 0.00 0.00 173.24 175.15 1tx6 s TYR 114 N -0.11 3.66 -0.32 3.44 5.04 0.04 -4.78 117.35 124.33 1tx6 s TYR 114 Ca 0.16 1.60 -0.16 0.00 -2.44 0.00 0.00 57.07 56.24 1tx6 s TYR 114 Cb -0.24 -3.03 -0.02 0.00 0.35 0.00 0.00 41.96 39.02 1tx6 s TYR 114 CO -0.02 0.04 0.40 0.12 -1.34 0.00 0.00 175.55 174.75 1tx6 s PHE 115 N 0.83 3.22 -4.81 4.97 2.19 -1.26 -0.40 117.98 122.72 1tx6 s PHE 115 Ca 0.48 0.17 0.00 0.00 0.33 0.00 0.00 56.93 57.91 1tx6 s PHE 115 Cb -0.20 -2.69 0.00 0.00 -1.31 0.00 0.00 43.02 38.81 1tx6 s PHE 115 CO 0.26 -0.39 0.00 0.41 1.83 0.00 0.00 175.22 177.33 1tx6 n GLY 116 N 4.83 -0.56 3.65 13.12 0.00 -0.72 -5.02 105.19 120.49 1tx6 n GLY 116 Ca -0.08 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 1tx6 n GLY 116 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1tx6 n PRO 117 N 0.00 0.11 -2.09 1.61 -0.02 -1.26 -3.50 135.00 129.85 1tx6 n PRO 117 Ca 0.00 0.11 -0.41 0.00 -2.02 0.00 0.00 63.50 61.18 1tx6 n PRO 117 Cb 0.00 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.12 1tx6 n PRO 117 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1tx6 s VAL 118 N -2.16 2.91 0.41 -1.45 1.01 -1.26 -4.93 120.40 114.93 1tx6 s VAL 118 Ca 0.71 0.73 -0.26 0.00 0.00 0.00 0.00 61.98 63.16 1tx6 s VAL 118 Cb -0.29 -3.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 1tx6 s VAL 118 CO 0.53 0.10 1.35 -2.16 0.00 0.00 0.00 175.10 174.92 1tx6 s PRO 119 N 0.03 3.91 0.53 2.72 0.04 -1.26 -4.98 135.00 135.99 1tx6 s PRO 119 Ca 0.60 2.26 -0.20 0.00 0.04 0.00 0.00 61.00 63.70 1tx6 s PRO 119 Cb -0.40 -2.75 -0.06 0.00 0.04 0.00 0.00 34.50 31.33 1tx6 s PRO 119 CO 0.39 -0.58 1.14 -1.25 0.04 0.00 0.00 177.00 176.74 1tx6 s PRO 120 N -2.28 3.40 0.32 0.56 0.04 -1.26 -4.65 135.00 131.13 1tx6 s PRO 120 Ca 0.58 1.66 -0.27 0.00 0.04 0.00 0.00 61.00 63.01 1tx6 s PRO 120 Cb -0.40 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 31.97 1tx6 s PRO 120 CO 0.52 -0.82 1.03 1.03 0.04 0.00 0.00 177.00 178.80 1tx6 s ARG 121 N -3.17 4.51 0.11 4.56 3.00 -1.24 -0.33 118.95 126.39 1tx6 s ARG 121 Ca 0.71 1.58 -0.09 0.00 0.00 0.00 0.00 55.73 57.93 1tx6 s ARG 121 Cb -0.25 -2.92 -0.14 0.00 0.00 0.00 0.00 34.95 31.63 1tx6 s ARG 121 CO 0.29 0.16 1.28 0.00 0.00 0.00 0.00 175.30 177.02 1tx6 s THR 123 N -3.41 2.69 0.63 0.00 2.01 -1.26 -5.07 115.64 111.24 1tx6 s THR 123 Ca -0.08 -0.75 -0.18 0.00 0.31 0.00 0.00 61.69 60.99 1tx6 s THR 123 Cb 0.08 -2.20 -0.01 0.00 0.01 0.00 0.00 72.50 70.38 1tx6 s THR 123 CO 0.89 0.47 1.21 -2.16 -0.69 0.00 0.00 174.62 174.33 1tx6 s PRO 124 N 1.37 2.73 0.00 4.92 0.04 -1.26 -4.98 135.00 137.82 1tx6 s PRO 124 Ca 0.05 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1tx6 s PRO 124 Cb -0.14 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1tx6 s PRO 124 CO -0.08 -1.39 0.00 0.54 0.04 0.00 0.00 177.00 176.11