#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o5w n ASP 3 N 0.00 1.72 -4.51 4.39 9.92 -1.26 -5.07 116.55 121.74 2o5w n ASP 3 Ca 0.00 -1.22 -0.42 0.00 -0.53 0.00 0.00 54.79 52.62 2o5w n ASP 3 Cb 0.00 0.06 -0.03 0.00 -0.64 0.00 0.00 41.12 40.51 2o5w n ASP 3 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2o5w s LYS 4 N -2.17 3.20 0.59 -1.24 1.02 -1.26 -5.03 119.74 114.85 2o5w s LYS 4 Ca 0.01 -0.55 -0.19 0.00 0.02 0.00 0.00 55.97 55.27 2o5w s LYS 4 Cb 0.00 -4.29 -0.04 0.00 -0.52 0.00 0.00 37.83 32.98 2o5w s LYS 4 CO 0.01 -2.03 1.19 0.14 -0.92 0.00 0.00 175.35 173.74 2o5w s VAL 5 N 5.02 2.72 0.41 3.17 -7.23 -1.26 -4.93 120.40 118.30 2o5w s VAL 5 Ca 0.31 0.44 -0.25 0.00 -1.81 0.00 0.00 61.98 60.67 2o5w s VAL 5 Cb -0.11 -3.16 -0.08 0.00 0.56 0.00 0.00 36.38 33.59 2o5w s VAL 5 CO 0.11 -0.10 1.19 -0.31 -0.31 0.00 0.00 175.10 175.68 2o5w s TYR 6 N -1.65 2.99 0.27 2.82 2.02 -1.26 -4.99 117.35 117.55 2o5w s TYR 6 Ca 0.76 1.53 -0.30 0.00 -0.37 0.00 0.00 57.07 58.70 2o5w s TYR 6 Cb -0.29 -3.43 -0.10 0.00 -0.40 0.00 0.00 41.96 37.74 2o5w s TYR 6 CO 0.33 -1.47 1.36 0.15 -1.57 0.00 0.00 175.55 174.34 2o5w s LYS 7 N -2.36 4.33 0.18 -0.62 1.02 -0.51 -4.97 119.74 116.81 2o5w s LYS 7 Ca 0.58 2.21 -0.30 0.00 0.02 0.00 0.00 55.97 58.48 2o5w s LYS 7 Cb -0.31 -3.11 -0.08 0.00 -0.52 0.00 0.00 37.83 33.81 2o5w s LYS 7 CO 0.39 -0.29 0.97 1.03 -0.92 0.00 0.00 175.35 176.53 2o5w s ARG 8 N -0.86 4.76 0.00 1.68 0.52 -1.26 -4.54 118.95 119.25 2o5w s ARG 8 Ca 0.55 1.51 0.05 0.00 -0.52 0.00 0.00 55.73 57.31 2o5w s ARG 8 Cb -0.40 -3.32 0.30 0.00 0.52 0.00 0.00 34.95 32.05 2o5w s ARG 8 CO 0.46 0.34 0.76 -0.35 0.02 0.00 0.00 175.30 176.52 2o5w n PRO 9 N 2.11 0.49 -3.85 3.54 -0.04 -1.26 -4.55 135.00 131.44 2o5w n PRO 9 Ca 0.00 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.11 2o5w n PRO 9 Cb 0.48 -1.16 -0.13 0.00 -0.04 0.00 0.00 33.50 32.64 2o5w n PRO 9 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2o5w s VAL 10 N -2.00 3.68 0.18 0.52 1.01 -1.26 -0.29 120.40 122.24 2o5w s VAL 10 Ca 0.07 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 2o5w s VAL 10 Cb 0.03 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2o5w s VAL 10 CO 0.06 0.34 0.10 -0.94 0.00 0.00 0.00 175.10 174.66 2o5w s SER 11 N 1.51 0.29 0.24 3.32 1.04 0.14 -1.16 113.70 119.08 2o5w s SER 11 Ca 0.05 -1.32 0.11 0.00 0.48 0.00 0.00 55.95 55.27 2o5w s SER 11 Cb -0.15 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.26 2o5w s SER 11 CO -0.01 -0.79 -0.13 0.27 0.98 0.00 0.00 173.24 173.56 2o5w s ILE 12 N -4.09 2.86 -0.05 -1.02 -5.25 -0.03 -1.51 121.20 112.11 2o5w s ILE 12 Ca 0.33 -2.06 0.01 0.00 -0.99 0.00 0.00 60.65 57.95 2o5w s ILE 12 Cb 0.07 -2.47 0.02 0.00 2.95 0.00 0.00 42.46 43.03 2o5w s ILE 12 CO 0.08 -0.28 -0.07 -0.22 -1.79 0.00 0.00 174.94 172.66 2o5w s LEU 13 N -3.26 1.43 -0.30 0.37 2.96 0.06 -2.67 118.68 117.27 2o5w s LEU 13 Ca 0.28 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 2o5w s LEU 13 Cb -0.07 -0.59 0.07 0.00 0.50 0.00 0.00 46.19 46.10 2o5w s LEU 13 CO 0.15 -0.03 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.44 2o5w s VAL 14 N 0.86 2.58 -0.79 1.68 1.01 0.12 0.07 120.40 125.94 2o5w s VAL 14 Ca -0.12 -1.68 -0.26 0.00 0.00 0.00 0.00 61.98 59.93 2o5w s VAL 14 Cb -0.15 -2.58 0.04 0.00 0.00 0.00 0.00 36.38 33.69 2o5w s VAL 14 CO 0.01 -0.19 1.29 -0.69 0.00 0.00 0.00 175.10 175.52 2o5w s VAL 15 N 1.13 3.82 0.02 2.92 1.01 0.16 -3.02 120.40 126.43 2o5w s VAL 15 Ca -0.03 0.11 -0.26 0.00 0.00 0.00 0.00 61.98 61.80 2o5w s VAL 15 Cb -0.20 -4.93 -0.05 0.00 0.00 0.00 0.00 36.38 31.21 2o5w s VAL 15 CO -0.04 -1.84 0.80 -0.63 0.00 0.00 0.00 175.10 173.39 2o5w s ILE 16 N 5.43 4.80 0.06 2.22 1.01 -1.26 -0.62 121.20 132.85 2o5w s ILE 16 Ca 0.36 1.69 -0.12 0.00 0.00 0.00 0.00 60.65 62.58 2o5w s ILE 16 Cb -0.07 -4.14 0.01 0.00 0.01 0.00 0.00 42.46 38.27 2o5w s ILE 16 CO 0.10 0.31 0.27 -0.72 0.00 0.00 0.00 174.94 174.89 2o5w s TYR 17 N 0.30 -0.03 -0.10 3.97 1.13 -0.67 -2.17 117.35 119.78 2o5w s TYR 17 Ca 0.41 -0.20 -0.21 0.00 -1.41 0.00 0.00 57.07 55.66 2o5w s TYR 17 Cb -0.20 0.05 -0.04 0.00 -1.10 0.00 0.00 41.96 40.67 2o5w s TYR 17 CO 0.23 -0.51 0.61 0.00 -2.51 0.00 0.00 175.55 173.37 2o5w s ALA 18 N -2.91 3.41 0.21 9.51 0.00 -0.24 -0.49 121.76 131.26 2o5w s ALA 18 Ca -0.02 -0.03 -0.10 0.00 0.00 0.00 0.00 51.96 51.81 2o5w s ALA 18 Cb 0.00 -2.84 0.19 0.00 0.00 0.00 0.00 23.12 20.47 2o5w s ALA 18 CO -0.06 -0.11 1.87 0.37 0.00 0.00 0.00 175.76 177.84 2o5w h GLN 19 N 6.81 0.94 -0.19 0.00 5.75 0.87 0.15 115.11 129.45 2o5w h GLN 19 Ca -0.40 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 57.95 2o5w h GLN 19 Cb 1.18 -0.21 -0.00 0.00 1.07 0.00 0.00 27.48 29.52 2o5w h GLN 19 CO 0.76 0.62 -0.25 0.38 -2.65 0.00 0.00 178.83 177.70 2o5w h ASP 20 N 0.97 0.55 0.13 -0.69 3.04 -1.73 -3.34 116.42 115.35 2o5w h ASP 20 Ca 0.29 -0.50 0.00 0.00 -3.24 0.00 0.00 57.03 53.58 2o5w h ASP 20 Cb -0.05 -0.16 0.00 0.00 -1.04 0.00 0.00 39.33 38.09 2o5w h ASP 20 CO -0.09 0.94 -1.78 0.35 -2.04 0.00 0.00 179.24 176.62 2o5w n THR 21 N -4.40 0.08 -1.87 1.15 -2.24 -1.22 -4.98 114.28 100.80 2o5w n THR 21 Ca -0.06 -0.47 -0.17 0.00 -2.27 0.00 0.00 64.05 61.09 2o5w n THR 21 Cb 0.44 0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.65 2o5w n THR 21 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2o5w n LYS 22 N -2.25 -1.29 -3.13 -0.78 4.76 0.52 -5.01 118.16 110.98 2o5w n LYS 22 Ca -0.03 1.00 -0.31 0.00 -2.87 0.00 0.00 58.31 56.10 2o5w n LYS 22 Cb 0.55 -5.34 -0.05 0.00 -1.84 0.00 0.00 35.03 28.35 2o5w n LYS 22 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2o5w s ARG 23 N -4.09 3.85 -0.08 1.97 0.52 -1.25 -4.07 118.95 115.80 2o5w s ARG 23 Ca 0.00 0.46 0.01 0.00 -0.52 0.00 0.00 55.73 55.68 2o5w s ARG 23 Cb 0.00 -2.49 -0.02 0.00 0.52 0.00 0.00 34.95 32.96 2o5w s ARG 23 CO 0.00 0.14 -0.11 0.08 0.02 0.00 0.00 175.30 175.43 2o5w s VAL 24 N -2.08 3.31 -0.25 3.52 1.01 0.25 -1.07 120.40 125.09 2o5w s VAL 24 Ca 0.51 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 2o5w s VAL 24 Cb -0.10 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.94 2o5w s VAL 24 CO 0.24 0.57 1.07 -0.22 0.00 0.00 0.00 175.10 176.76 2o5w s LEU 25 N -0.40 4.06 -0.20 3.92 0.20 -0.92 -1.71 118.68 123.62 2o5w s LEU 25 Ca 0.05 1.31 0.01 0.00 0.69 0.00 0.00 54.13 56.20 2o5w s LEU 25 Cb -0.12 -3.54 0.03 0.00 -0.43 0.00 0.00 46.19 42.13 2o5w s LEU 25 CO 0.02 -0.74 -0.16 -0.04 -0.29 0.00 0.00 176.35 175.14 2o5w s MET 26 N 3.36 2.65 0.18 1.98 -1.94 -0.83 -4.39 119.30 120.31 2o5w s MET 26 Ca 0.45 -0.96 0.04 0.00 -1.71 0.00 0.00 55.69 53.51 2o5w s MET 26 Cb -0.15 -2.62 -0.03 0.00 2.01 0.00 0.00 34.83 34.04 2o5w s MET 26 CO 0.09 -0.33 0.29 -0.51 -0.01 0.00 0.00 175.02 174.55 2o5w s LEU 27 N 1.26 4.27 -0.15 -0.03 1.43 0.13 -1.66 118.68 123.92 2o5w s LEU 27 Ca 0.01 0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.19 2o5w s LEU 27 Cb -0.15 -2.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.22 2o5w s LEU 27 CO -0.10 0.01 -0.10 -1.58 0.23 0.00 0.00 176.35 174.80 2o5w s GLN 28 N -3.49 3.40 0.34 1.70 0.74 -0.12 -0.98 119.66 121.25 2o5w s GLN 28 Ca 0.34 -0.66 -0.26 0.00 0.05 0.00 0.00 55.36 54.83 2o5w s GLN 28 Cb -0.10 -2.74 -0.09 0.00 1.10 0.00 0.00 33.01 31.17 2o5w s GLN 28 CO 0.28 0.11 1.04 1.03 -0.55 0.00 0.00 175.29 177.20 2o5w s ARG 29 N 0.63 4.41 0.25 1.67 0.52 -0.89 -0.63 118.95 124.93 2o5w s ARG 29 Ca -0.06 1.55 0.09 0.00 -0.52 0.00 0.00 55.73 56.79 2o5w s ARG 29 Cb -0.15 -2.81 0.29 0.00 0.52 0.00 0.00 34.95 32.79 2o5w s ARG 29 CO 0.03 0.07 1.57 0.07 0.02 0.00 0.00 175.30 177.06 2o5w h ARG 30 N 3.08 0.04 0.00 3.54 0.11 -1.92 -2.89 114.38 116.34 2o5w h ARG 30 Ca -0.47 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 59.57 2o5w h ARG 30 Cb 1.21 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 32.29 2o5w h ARG 30 CO 0.64 0.68 -0.97 0.38 0.10 0.00 0.00 179.97 180.81 2o5w h ASP 31 N 0.03 0.00 -2.17 0.08 3.04 -1.93 -3.40 116.42 112.07 2o5w h ASP 31 Ca -0.01 0.00 -0.49 0.00 -3.24 0.00 0.00 57.03 53.29 2o5w h ASP 31 Cb 1.16 0.00 -0.34 0.00 -1.04 0.00 0.00 39.33 39.11 2o5w h ASP 31 CO 0.09 0.02 -0.84 -0.62 -2.04 0.00 0.00 179.24 175.85 2o5w s ASP 32 N -5.42 1.38 0.00 4.15 -1.08 -1.25 -5.01 116.67 109.43 2o5w s ASP 32 Ca -0.00 -2.42 0.00 0.00 -0.52 0.00 0.00 52.55 49.61 2o5w s ASP 32 Cb 0.09 0.04 0.00 0.00 -1.46 0.00 0.00 42.92 41.60 2o5w s ASP 32 CO 0.79 -0.21 0.69 -2.65 0.52 0.00 0.00 175.17 174.31 2o5w n PRO 33 N 3.41 0.00 0.02 4.34 -0.02 -1.09 0.19 135.00 141.85 2o5w n PRO 33 Ca 0.21 0.22 0.12 0.00 -2.02 0.00 0.00 63.50 62.02 2o5w n PRO 33 Cb 0.46 -1.53 0.11 0.00 -0.02 0.00 0.00 33.50 32.52 2o5w n PRO 33 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2o5w n ASP 34 N -1.19 0.62 -4.49 2.55 8.00 -1.26 -4.78 116.55 116.00 2o5w n ASP 34 Ca 0.00 -0.23 -0.43 0.00 0.71 0.00 0.00 54.79 54.84 2o5w n ASP 34 Cb 0.03 0.51 -0.08 0.00 -0.02 0.00 0.00 41.12 41.56 2o5w n ASP 34 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2o5w s PHE 35 N -3.11 3.14 -0.10 1.24 2.19 0.13 -4.80 117.98 116.67 2o5w s PHE 35 Ca 0.07 -0.31 -0.03 0.00 0.33 0.00 0.00 56.93 56.99 2o5w s PHE 35 Cb 0.15 -3.03 -0.03 0.00 -1.31 0.00 0.00 43.02 38.80 2o5w s PHE 35 CO 0.76 -0.76 0.01 -1.58 1.83 0.00 0.00 175.22 175.48 2o5w s TRP 36 N 2.32 3.17 0.24 10.12 0.52 -1.26 -2.08 118.94 131.95 2o5w s TRP 36 Ca 0.15 0.13 -0.15 0.00 0.02 0.00 0.00 56.10 56.25 2o5w s TRP 36 Cb -0.16 -1.84 0.01 0.00 -1.15 0.00 0.00 33.47 30.32 2o5w s TRP 36 CO 0.15 0.39 0.52 1.14 0.02 0.00 0.00 176.95 179.17 2o5w s GLN 37 N -0.62 1.53 0.18 4.98 -2.07 -0.15 -4.12 119.66 119.39 2o5w s GLN 37 Ca 0.10 -1.12 -0.02 0.00 -1.82 0.00 0.00 55.36 52.50 2o5w s GLN 37 Cb -0.12 0.50 0.04 0.00 -1.09 0.00 0.00 33.01 32.34 2o5w s GLN 37 CO 0.02 -0.65 0.24 0.43 -1.32 0.00 0.00 175.29 174.02 2o5w n SER 38 N -0.38 0.10 -4.67 12.60 7.64 -1.26 0.17 113.62 127.82 2o5w n SER 38 Ca -0.04 -1.14 -0.43 0.00 1.01 0.00 0.00 58.87 58.27 2o5w n SER 38 Cb 0.62 -0.18 -0.02 0.00 -1.01 0.00 0.00 64.21 63.61 2o5w n SER 38 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2o5w s VAL 39 N -1.20 4.14 0.27 0.44 1.01 -1.17 -4.83 120.40 119.07 2o5w s VAL 39 Ca 0.15 1.41 0.07 0.00 0.00 0.00 0.00 61.98 63.61 2o5w s VAL 39 Cb -0.01 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 2o5w s VAL 39 CO 0.10 -0.10 -0.08 0.42 0.00 0.00 0.00 175.10 175.44 2o5w s THR 40 N 3.30 1.75 0.00 3.92 -4.23 -1.26 0.14 115.64 119.25 2o5w s THR 40 Ca 0.58 -2.16 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 2o5w s THR 40 Cb -0.24 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.19 2o5w s THR 40 CO 0.18 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 2o5w n GLY 41 N -0.58 1.38 3.75 3.99 0.00 -1.09 -4.99 105.19 107.66 2o5w n GLY 41 Ca -0.06 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 2o5w n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2o5w s SER 42 N 0.00 5.08 -0.48 1.61 0.01 -1.26 -0.85 113.70 117.81 2o5w s SER 42 Ca 0.00 2.37 -0.24 0.00 1.31 0.00 0.00 55.95 59.39 2o5w s SER 42 Cb 0.00 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.66 2o5w s SER 42 CO 0.00 -1.67 0.88 -0.69 0.41 0.00 0.00 173.24 172.17 2o5w s VAL 43 N -1.67 4.52 0.80 3.43 1.01 -0.31 -4.80 120.40 123.38 2o5w s VAL 43 Ca 0.77 0.50 -0.12 0.00 0.00 0.00 0.00 61.98 63.12 2o5w s VAL 43 Cb -0.30 -4.42 0.08 0.00 0.00 0.00 0.00 36.38 31.74 2o5w s VAL 43 CO 0.35 -0.86 1.14 -1.61 0.00 0.00 0.00 175.10 174.11 2o5w s GLU 44 N 3.62 1.87 0.18 2.72 0.41 -1.26 -4.91 118.70 121.32 2o5w s GLU 44 Ca 0.33 1.46 -0.32 0.00 -0.41 0.00 0.00 54.97 56.03 2o5w s GLU 44 Cb -0.12 -1.83 -0.11 0.00 -1.78 0.00 0.00 34.13 30.30 2o5w s GLU 44 CO 0.23 -1.98 1.67 -2.00 -0.49 0.00 0.00 175.26 172.69 2o5w s GLU 45 N -4.49 4.17 -0.22 1.61 2.56 -1.26 -2.91 118.70 118.16 2o5w s GLU 45 Ca 0.67 2.49 0.00 0.00 0.00 0.00 0.00 54.97 58.13 2o5w s GLU 45 Cb -0.22 -3.18 0.00 0.00 2.00 0.00 0.00 34.13 32.73 2o5w s GLU 45 CO 0.52 -0.70 0.00 0.41 -0.56 0.00 0.00 175.26 174.93 2o5w n GLY 46 N 3.91 0.34 3.22 -1.50 0.00 -1.26 -5.05 105.19 104.85 2o5w n GLY 46 Ca 0.15 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 2o5w n GLY 46 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2o5w s GLU 47 N -3.68 0.87 0.75 1.61 -1.05 -1.15 -5.17 118.70 110.88 2o5w s GLU 47 Ca 0.00 -0.91 -0.04 0.00 -0.15 0.00 0.00 54.97 53.88 2o5w s GLU 47 Cb 0.00 0.36 0.16 0.00 -0.44 0.00 0.00 34.13 34.20 2o5w s GLU 47 CO 0.00 -0.28 1.02 0.25 0.95 0.00 0.00 175.26 177.20 2o5w n THR 48 N -0.04 0.00 -0.06 1.83 -2.24 -1.26 -4.67 114.28 107.83 2o5w n THR 48 Ca -0.15 -1.37 -0.13 0.00 -2.27 0.00 0.00 64.05 60.12 2o5w n THR 48 Cb 0.62 -1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 67.73 2o5w n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2o5w h ALA 49 N -0.88 0.23 -0.42 6.98 0.00 -1.98 -2.34 119.26 120.84 2o5w h ALA 49 Ca -0.34 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.28 2o5w h ALA 49 Cb 1.16 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 2o5w h ALA 49 CO 0.33 0.13 0.18 -1.35 0.00 0.00 0.00 179.25 178.54 2o5w h PRO 50 N 0.01 0.36 -0.87 0.00 0.11 -1.99 0.47 132.00 130.10 2o5w h PRO 50 Ca 0.02 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.13 2o5w h PRO 50 Cb 0.72 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.70 2o5w h PRO 50 CO 0.04 0.24 0.57 1.96 -0.21 0.00 0.00 178.00 180.60 2o5w h GLN 51 N 0.37 1.09 -0.44 1.05 4.20 -1.96 -1.69 115.11 117.74 2o5w h GLN 51 Ca 0.19 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 2o5w h GLN 51 Cb 0.14 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 2o5w h GLN 51 CO -0.16 0.72 0.25 0.00 -0.67 0.00 0.00 178.83 178.97 2o5w h ALA 52 N 1.34 0.56 0.16 3.87 0.00 -1.05 0.71 119.26 124.85 2o5w h ALA 52 Ca 0.33 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.18 2o5w h ALA 52 Cb -0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2o5w h ALA 52 CO -0.10 0.07 -0.34 0.00 0.00 0.00 0.00 179.25 178.88 2o5w h ALA 53 N 1.10 -0.62 -0.31 0.00 0.00 -0.60 0.34 119.26 119.17 2o5w h ALA 53 Ca 0.15 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.06 2o5w h ALA 53 Cb 0.04 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 2o5w h ALA 53 CO -0.03 -0.90 -0.08 0.52 0.00 0.00 0.00 179.25 178.76 2o5w h MET 54 N -0.60 -0.00 -0.87 0.00 2.07 -1.20 -1.14 114.93 113.18 2o5w h MET 54 Ca 0.02 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.65 2o5w h MET 54 Cb 0.61 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.30 2o5w h MET 54 CO -0.18 -0.00 0.53 -0.09 1.07 0.00 0.00 176.91 178.24 2o5w h ARG 55 N -0.00 1.18 -0.60 1.72 2.43 -0.47 -2.24 114.38 116.40 2o5w h ARG 55 Ca 0.15 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 2o5w h ARG 55 Cb 0.23 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2o5w h ARG 55 CO -0.32 0.83 0.08 0.93 -1.51 0.00 0.00 179.97 179.98 2o5w h GLU 56 N 1.20 0.98 -0.45 0.20 4.39 0.14 -2.08 114.58 118.97 2o5w h GLU 56 Ca 0.31 -0.25 -0.12 0.00 0.34 0.00 0.00 59.36 59.64 2o5w h GLU 56 Cb -0.05 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 2o5w h GLU 56 CO -0.06 0.91 -0.20 0.28 -1.16 0.00 0.00 179.01 178.78 2o5w h VAL 57 N 0.92 1.27 -0.21 3.13 2.07 -0.96 -0.36 116.25 122.10 2o5w h VAL 57 Ca 0.18 -1.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.34 2o5w h VAL 57 Cb 0.42 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2o5w h VAL 57 CO 0.01 0.45 -0.00 0.50 0.02 0.00 0.00 177.57 178.55 2o5w h LYS 58 N 0.77 0.38 0.25 1.57 3.64 -1.33 -2.58 116.57 119.28 2o5w h LYS 58 Ca 0.11 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2o5w h LYS 58 Cb 0.74 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2o5w h LYS 58 CO 0.06 0.58 -0.12 0.93 -2.27 0.00 0.00 179.45 178.63 2o5w h GLU 59 N 0.14 -0.33 -0.14 1.90 5.08 -1.35 -2.07 114.58 117.81 2o5w h GLU 59 Ca 0.06 0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.26 2o5w h GLU 59 Cb 0.41 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2o5w h GLU 59 CO 0.01 0.02 -0.67 0.93 -1.00 0.00 0.00 179.01 178.30 2o5w h GLU 60 N -0.75 0.58 0.00 2.33 5.08 -1.16 -3.37 114.58 117.28 2o5w h GLU 60 Ca -0.03 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2o5w h GLU 60 Cb 0.50 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2o5w h GLU 60 CO 0.06 1.05 -0.08 1.33 -1.00 0.00 0.00 179.01 180.37 2o5w n VAL 61 N -3.91 0.56 -3.65 3.13 0.24 -0.99 -2.62 118.33 111.09 2o5w n VAL 61 Ca -0.05 -0.61 -0.20 0.00 -2.04 0.00 0.00 64.34 61.44 2o5w n VAL 61 Cb 0.68 0.60 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 2o5w n VAL 61 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2o5w n THR 62 N -0.35 -4.76 -3.64 3.34 -1.04 -0.78 -4.15 114.28 102.91 2o5w n THR 62 Ca 0.02 -0.09 -0.18 0.00 -2.04 0.00 0.00 64.05 61.76 2o5w n THR 62 Cb 0.47 -3.76 -0.16 0.00 -1.82 0.00 0.00 70.33 65.07 2o5w n THR 62 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2o5w s ILE 63 N -3.01 -0.24 -0.59 12.58 1.01 -1.21 -4.82 121.20 124.92 2o5w s ILE 63 Ca 0.02 0.25 -0.20 0.00 0.00 0.00 0.00 60.65 60.73 2o5w s ILE 63 Cb -0.01 -0.36 0.09 0.00 0.01 0.00 0.00 42.46 42.19 2o5w s ILE 63 CO 0.87 0.07 0.73 -0.62 0.00 0.00 0.00 174.94 175.99 2o5w s ASP 64 N 2.28 6.19 0.24 3.58 -1.08 -1.26 -3.50 116.67 123.11 2o5w s ASP 64 Ca 0.04 -1.25 -0.08 0.00 -0.52 0.00 0.00 52.55 50.74 2o5w s ASP 64 Cb -0.13 -2.32 0.41 0.00 -1.46 0.00 0.00 42.92 39.42 2o5w s ASP 64 CO -0.07 -1.13 1.63 0.58 0.52 0.00 0.00 175.17 176.71 2o5w h VAL 65 N 5.92 0.34 -0.18 1.11 2.07 -1.94 0.82 116.25 124.40 2o5w h VAL 65 Ca -0.29 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 2o5w h VAL 65 Cb 1.09 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2o5w h VAL 65 CO 1.09 0.02 -0.04 0.58 0.02 0.00 0.00 177.57 179.24 2o5w h VAL 66 N 0.09 1.28 -0.60 2.57 2.07 -1.90 -0.59 116.25 119.18 2o5w h VAL 66 Ca 0.40 -0.99 -0.09 0.00 0.82 0.00 0.00 66.70 66.84 2o5w h VAL 66 Cb 0.68 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 2o5w h VAL 66 CO -0.67 0.29 0.02 0.00 0.02 0.00 0.00 177.57 177.24 2o5w h ALA 67 N 0.73 0.92 -0.24 1.67 0.00 -1.83 -2.72 119.26 117.79 2o5w h ALA 67 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2o5w h ALA 67 Cb 0.47 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2o5w h ALA 67 CO 0.02 0.65 0.00 0.39 0.00 0.00 0.00 179.25 180.31 2o5w n GLU 68 N -4.19 1.70 -3.82 0.00 1.02 0.23 -4.94 120.64 110.64 2o5w n GLU 68 Ca 0.03 -1.08 -0.37 0.00 -0.02 0.00 0.00 57.16 55.72 2o5w n GLU 68 Cb 0.33 -1.31 0.04 0.00 -0.02 0.00 0.00 31.44 30.47 2o5w n GLU 68 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2o5w n GLN 69 N 0.34 -0.86 -4.14 3.49 3.00 -0.88 -5.00 117.38 113.33 2o5w n GLN 69 Ca 0.13 0.33 -0.23 0.00 -0.01 0.00 0.00 57.00 57.22 2o5w n GLN 69 Cb 0.29 -3.54 -0.06 0.00 0.00 0.00 0.00 30.24 26.92 2o5w n GLN 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2o5w s LEU 70 N -6.80 3.26 -0.40 1.08 1.43 -0.28 -5.05 118.68 111.91 2o5w s LEU 70 Ca 0.48 -0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 52.71 2o5w s LEU 70 Cb -0.21 -1.74 0.04 0.00 0.03 0.00 0.00 46.19 44.31 2o5w s LEU 70 CO 0.90 -0.24 0.26 -0.89 0.23 0.00 0.00 176.35 176.61 2o5w s THR 71 N -2.40 4.78 -0.82 5.49 2.01 -1.26 -4.81 115.64 118.63 2o5w s THR 71 Ca 0.36 -0.90 -0.22 0.00 0.31 0.00 0.00 61.69 61.25 2o5w s THR 71 Cb -0.03 -3.72 0.08 0.00 0.01 0.00 0.00 72.50 68.84 2o5w s THR 71 CO 0.22 -0.33 1.13 -0.22 -0.69 0.00 0.00 174.62 174.74 2o5w s LEU 72 N 1.58 4.33 0.05 4.42 2.96 -1.26 -4.46 118.68 126.29 2o5w s LEU 72 Ca 0.03 -1.36 -0.30 0.00 -0.22 0.00 0.00 54.13 52.28 2o5w s LEU 72 Cb -0.20 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 43.98 2o5w s LEU 72 CO 0.07 -1.37 1.20 -0.63 -1.32 0.00 0.00 176.35 174.30 2o5w s ILE 73 N 3.94 4.07 -0.57 6.68 1.01 -0.80 -4.96 121.20 130.57 2o5w s ILE 73 Ca 0.31 1.48 -0.28 0.00 0.00 0.00 0.00 60.65 62.16 2o5w s ILE 73 Cb -0.09 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.44 2o5w s ILE 73 CO 0.01 0.10 1.41 -0.62 0.00 0.00 0.00 174.94 175.83 2o5w s ASP 74 N 1.12 6.13 0.00 3.58 -1.08 -1.26 -1.91 116.67 123.26 2o5w s ASP 74 Ca 0.58 0.26 0.24 0.00 -0.52 0.00 0.00 52.55 53.11 2o5w s ASP 74 Cb -0.29 -2.55 1.46 0.00 -1.46 0.00 0.00 42.92 40.08 2o5w s ASP 74 CO 0.28 -1.71 1.83 0.00 0.52 0.00 0.00 175.17 176.09 2o5w n GLN 76 N -0.98 -3.41 -4.77 0.00 6.02 -1.24 -4.93 117.38 108.07 2o5w n GLN 76 Ca 0.18 0.40 -0.24 0.00 -0.01 0.00 0.00 57.00 57.33 2o5w n GLN 76 Cb 0.08 -4.94 -0.15 0.00 1.02 0.00 0.00 30.24 26.25 2o5w n GLN 76 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2o5w s ARG 77 N -6.80 1.43 -0.11 -1.09 3.00 -1.26 -5.02 118.95 109.10 2o5w s ARG 77 Ca 0.50 -0.57 0.01 0.00 0.00 0.00 0.00 55.73 55.67 2o5w s ARG 77 Cb -0.27 -1.34 0.02 0.00 0.00 0.00 0.00 34.95 33.36 2o5w s ARG 77 CO 0.91 0.31 -0.14 0.99 0.00 0.00 0.00 175.30 177.37 2o5w s THR 78 N -0.23 1.41 0.34 0.02 2.01 -1.26 -0.91 115.64 117.04 2o5w s THR 78 Ca 0.03 -0.58 0.09 0.00 0.31 0.00 0.00 61.69 61.54 2o5w s THR 78 Cb -0.08 -1.32 -0.07 0.00 0.01 0.00 0.00 72.50 71.05 2o5w s THR 78 CO 0.00 0.43 -0.09 0.68 -0.69 0.00 0.00 174.62 174.95 2o5w s VAL 79 N 1.15 2.18 -0.03 3.82 -7.23 -0.24 -4.95 120.40 115.11 2o5w s VAL 79 Ca -0.04 -2.19 0.02 0.00 -1.81 0.00 0.00 61.98 57.97 2o5w s VAL 79 Cb -0.14 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.15 2o5w s VAL 79 CO -0.04 -0.20 -0.09 -0.70 -0.31 0.00 0.00 175.10 173.77 2o5w s GLU 80 N -3.62 0.96 0.07 4.82 2.12 -1.26 -0.62 118.70 121.16 2o5w s GLU 80 Ca 0.32 -0.30 -0.06 0.00 0.36 0.00 0.00 54.97 55.30 2o5w s GLU 80 Cb 0.03 -0.90 -0.02 0.00 0.26 0.00 0.00 34.13 33.51 2o5w s GLU 80 CO 0.16 0.11 0.10 -0.59 -0.54 0.00 0.00 175.26 174.50 2o5w s PHE 81 N 0.20 0.29 0.14 5.30 -0.12 -0.52 -4.96 117.98 118.32 2o5w s PHE 81 Ca -0.03 -0.76 -0.31 0.00 -0.05 0.00 0.00 56.93 55.77 2o5w s PHE 81 Cb -0.09 -0.19 -0.09 0.00 -0.63 0.00 0.00 43.02 42.03 2o5w s PHE 81 CO 0.00 -0.47 1.43 -2.00 -0.05 0.00 0.00 175.22 174.13 2o5w s GLU 82 N -3.81 4.30 0.34 1.99 2.56 -1.26 -0.91 118.70 121.90 2o5w s GLU 82 Ca 0.05 2.16 -0.27 0.00 0.00 0.00 0.00 54.97 56.90 2o5w s GLU 82 Cb 0.06 -3.21 -0.09 0.00 2.00 0.00 0.00 34.13 32.88 2o5w s GLU 82 CO -0.10 -0.47 1.15 0.42 -0.56 0.00 0.00 175.26 175.70 2o5w s ILE 83 N 0.98 3.28 0.02 -3.70 1.01 -0.25 -4.89 121.20 117.65 2o5w s ILE 83 Ca 0.65 1.19 -0.33 0.00 0.00 0.00 0.00 60.65 62.15 2o5w s ILE 83 Cb -0.39 -3.72 -0.12 0.00 0.01 0.00 0.00 42.46 38.25 2o5w s ILE 83 CO 0.32 0.21 1.79 0.49 0.00 0.00 0.00 174.94 177.75 2o5w n PHE 84 N 0.64 2.37 -0.27 3.97 3.72 -1.26 -4.83 117.46 121.80 2o5w n PHE 84 Ca 0.01 0.02 0.17 0.00 -0.05 0.00 0.00 57.45 57.61 2o5w n PHE 84 Cb 0.45 -2.65 0.32 0.00 -0.94 0.00 0.00 39.48 36.66 2o5w n PHE 84 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2o5w n SER 85 N 5.63 0.03 -0.24 4.37 7.64 -1.26 0.17 113.62 129.97 2o5w n SER 85 Ca 0.20 1.37 0.12 0.00 1.01 0.00 0.00 58.87 61.57 2o5w n SER 85 Cb 0.31 -0.55 0.57 0.00 -1.01 0.00 0.00 64.21 63.52 2o5w n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2o5w n HIS 86 N -5.05 0.06 -0.09 1.43 1.44 -1.26 -3.22 115.22 108.52 2o5w n HIS 86 Ca 0.23 -0.03 0.00 0.00 -2.01 0.00 0.00 57.72 55.91 2o5w n HIS 86 Cb 0.77 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.88 2o5w n HIS 86 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2o5w n LEU 87 N -0.35 0.83 -0.04 2.39 4.77 0.13 -4.75 117.00 119.97 2o5w n LEU 87 Ca 0.17 -0.86 0.01 0.00 -0.03 0.00 0.00 56.01 55.30 2o5w n LEU 87 Cb 0.20 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.60 2o5w n LEU 87 CO 0.13 0.21 1.04 -0.09 -1.33 0.00 0.00 177.39 177.35 2o5w h ARG 88 N 0.00 0.62 -0.27 3.23 2.43 -1.45 -2.54 114.38 116.40 2o5w h ARG 88 Ca 0.00 -0.09 0.08 0.00 -0.81 0.00 0.00 59.98 59.16 2o5w h ARG 88 Cb 0.05 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2o5w h ARG 88 CO 0.00 0.53 0.45 1.12 -1.51 0.00 0.00 179.97 180.56 2o5w h HIS 89 N 0.61 0.00 0.00 2.20 2.07 -1.85 0.11 115.15 118.29 2o5w h HIS 89 Ca 0.15 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.67 2o5w h HIS 89 Cb 0.16 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.14 2o5w h HIS 89 CO 0.01 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.41 2o5w n ARG 90 N -3.35 0.79 -4.70 5.12 5.12 -0.95 -4.77 116.66 113.92 2o5w n ARG 90 Ca 0.04 0.01 -0.30 0.00 -1.93 0.00 0.00 57.85 55.66 2o5w n ARG 90 Cb 0.58 -1.50 -0.13 0.00 -1.16 0.00 0.00 32.46 30.25 2o5w n ARG 90 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2o5w s TYR 91 N -2.10 2.48 0.37 -1.55 1.51 0.39 -1.42 117.35 117.03 2o5w s TYR 91 Ca 0.39 -0.31 -0.24 0.00 -1.01 0.00 0.00 57.07 55.91 2o5w s TYR 91 Cb 0.19 -1.43 -0.13 0.00 -0.11 0.00 0.00 41.96 40.48 2o5w s TYR 91 CO 0.34 0.23 0.63 0.00 -1.11 0.00 0.00 175.55 175.64 2o5w n ALA 92 N 1.55 -1.42 -1.57 3.71 0.00 -1.26 -4.80 120.51 116.72 2o5w n ALA 92 Ca -0.16 0.24 -0.50 0.00 0.00 0.00 0.00 53.44 53.01 2o5w n ALA 92 Cb 0.52 -1.80 -0.05 0.00 0.00 0.00 0.00 19.45 18.13 2o5w n ALA 92 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2o5w n PRO 93 N 0.66 1.05 0.00 0.00 -0.02 -1.26 -1.64 135.00 133.80 2o5w n PRO 93 Ca 0.12 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2o5w n PRO 93 Cb 0.37 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 2o5w n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2o5w n GLY 94 N 2.07 3.19 3.64 -1.23 0.00 -1.26 -5.01 105.19 106.59 2o5w n GLY 94 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2o5w n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2o5w s VAL 95 N -2.28 3.97 0.00 1.61 1.01 -0.65 -4.84 120.40 119.22 2o5w s VAL 95 Ca 0.00 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.10 2o5w s VAL 95 Cb 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.48 2o5w s VAL 95 CO 0.00 -0.29 0.00 0.35 0.00 0.00 0.00 175.10 175.16 2o5w n THR 96 N 6.00 0.00 -5.02 3.92 -2.24 -1.26 -4.88 114.28 110.80 2o5w n THR 96 Ca 0.16 -0.16 -0.30 0.00 -2.27 0.00 0.00 64.05 61.47 2o5w n THR 96 Cb 0.45 0.65 -0.15 0.00 -2.10 0.00 0.00 70.33 69.18 2o5w n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2o5w s ARG 97 N -1.27 1.89 0.04 -0.78 0.52 -1.26 -1.09 118.95 116.99 2o5w s ARG 97 Ca 0.00 -1.06 0.09 0.00 -0.52 0.00 0.00 55.73 54.24 2o5w s ARG 97 Cb 0.00 -2.00 -0.03 0.00 0.52 0.00 0.00 34.95 33.45 2o5w s ARG 97 CO 0.00 0.53 -0.26 1.21 0.02 0.00 0.00 175.30 176.80 2o5w s ASN 98 N -1.07 3.08 -0.20 0.23 2.47 -0.09 -4.84 114.94 114.52 2o5w s ASN 98 Ca 0.11 -0.57 -0.03 0.00 0.42 0.00 0.00 52.86 52.79 2o5w s ASN 98 Cb -0.10 -0.28 -0.01 0.00 -1.45 0.00 0.00 41.25 39.41 2o5w s ASN 98 CO 0.01 0.25 -0.06 -0.89 -3.72 0.00 0.00 177.10 172.69 2o5w s THR 99 N -0.79 3.27 -0.08 -5.21 2.01 0.60 -1.44 115.64 114.01 2o5w s THR 99 Ca 0.11 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.59 2o5w s THR 99 Cb -0.10 -2.46 0.02 0.00 0.01 0.00 0.00 72.50 69.96 2o5w s THR 99 CO 0.02 0.45 -0.10 -0.70 -0.69 0.00 0.00 174.62 173.59 2o5w s GLU 100 N 1.24 1.57 -0.11 4.92 2.12 0.21 -0.68 118.70 127.97 2o5w s GLU 100 Ca 0.03 -0.34 -0.02 0.00 0.36 0.00 0.00 54.97 55.00 2o5w s GLU 100 Cb -0.14 -1.40 -0.03 0.00 0.26 0.00 0.00 34.13 32.81 2o5w s GLU 100 CO -0.02 -0.06 -0.02 -1.12 -0.54 0.00 0.00 175.26 173.49 2o5w s SER 101 N 0.97 5.02 -0.01 -1.70 0.01 -0.57 -1.07 113.70 116.35 2o5w s SER 101 Ca -0.09 0.03 -0.09 0.00 1.31 0.00 0.00 55.95 57.11 2o5w s SER 101 Cb -0.15 -1.53 -0.05 0.00 0.21 0.00 0.00 66.02 64.51 2o5w s SER 101 CO 0.00 0.30 0.29 0.26 0.41 0.00 0.00 173.24 174.51 2o5w s TRP 102 N -0.44 3.61 -0.00 2.43 0.51 -0.08 -0.76 118.94 124.20 2o5w s TRP 102 Ca 0.08 0.68 0.01 0.00 -2.12 0.00 0.00 56.10 54.74 2o5w s TRP 102 Cb -0.12 -2.06 -0.00 0.00 -0.81 0.00 0.00 33.47 30.48 2o5w s TRP 102 CO 0.02 0.63 -0.03 -0.06 -0.51 0.00 0.00 176.95 177.00 2o5w s PHE 103 N -1.22 0.30 -0.01 -1.98 0.40 0.11 -2.50 117.98 113.09 2o5w s PHE 103 Ca 0.25 -0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.58 2o5w s PHE 103 Cb -0.14 -0.21 -0.03 0.00 0.51 0.00 0.00 43.02 43.16 2o5w s PHE 103 CO 0.14 -0.01 -0.17 0.00 0.70 0.00 0.00 175.22 175.87 2o5w s LEU 105 N -1.01 0.44 -0.35 0.00 2.96 0.21 -1.90 118.68 119.03 2o5w s LEU 105 Ca 0.13 -0.29 -0.12 0.00 -0.22 0.00 0.00 54.13 53.62 2o5w s LEU 105 Cb -0.10 -0.30 -0.00 0.00 0.50 0.00 0.00 46.19 46.28 2o5w s LEU 105 CO 0.02 -0.28 0.23 0.00 -1.32 0.00 0.00 176.35 175.01 2o5w s ALA 106 N 2.07 3.42 0.28 5.97 0.00 -1.26 -1.66 121.76 130.58 2o5w s ALA 106 Ca 0.03 -1.49 -0.21 0.00 0.00 0.00 0.00 51.96 50.29 2o5w s ALA 106 Cb -0.14 -2.64 -0.09 0.00 0.00 0.00 0.00 23.12 20.25 2o5w s ALA 106 CO -0.06 -1.11 0.80 -0.51 0.00 0.00 0.00 175.76 174.88 2o5w s LEU 107 N 1.67 4.27 0.21 0.00 1.43 0.36 -4.81 118.68 121.81 2o5w s LEU 107 Ca 0.05 1.52 -0.10 0.00 -1.03 0.00 0.00 54.13 54.58 2o5w s LEU 107 Cb -0.18 -3.85 0.16 0.00 0.03 0.00 0.00 46.19 42.35 2o5w s LEU 107 CO 0.09 -0.06 1.85 1.55 0.23 0.00 0.00 176.35 180.01 2o5w h PRO 108 N 3.06 1.04 -4.73 1.29 0.13 -1.95 0.97 132.00 131.81 2o5w h PRO 108 Ca -0.48 -0.09 -0.26 0.00 -0.87 0.00 0.00 66.00 64.30 2o5w h PRO 108 Cb 1.19 -0.22 -0.15 0.00 0.13 0.00 0.00 31.00 31.95 2o5w h PRO 108 CO 0.65 0.73 -0.67 -1.01 -0.23 0.00 0.00 178.00 177.47 2o5w s HIS 109 N -5.98 1.11 0.55 1.56 3.76 -1.26 -2.87 115.29 112.16 2o5w s HIS 109 Ca -0.13 -1.02 -0.21 0.00 -0.15 0.00 0.00 55.06 53.55 2o5w s HIS 109 Cb 0.15 -0.63 -0.05 0.00 1.11 0.00 0.00 32.58 33.16 2o5w s HIS 109 CO 0.79 -0.23 1.25 -1.21 -0.85 0.00 0.00 174.74 174.49 2o5w s GLU 110 N -3.91 3.19 0.22 1.40 2.02 -1.26 -4.85 118.70 115.51 2o5w s GLU 110 Ca 0.21 1.96 -0.06 0.00 0.02 0.00 0.00 54.97 57.11 2o5w s GLU 110 Cb 0.06 -2.15 -0.03 0.00 0.10 0.00 0.00 34.13 32.12 2o5w s GLU 110 CO 0.02 -1.06 0.27 -0.98 0.02 0.00 0.00 175.26 173.53 2o5w s ARG 111 N -3.04 1.34 0.23 1.61 1.70 -1.26 -5.14 118.95 114.39 2o5w s ARG 111 Ca 0.72 -1.47 -0.30 0.00 -0.47 0.00 0.00 55.73 54.22 2o5w s ARG 111 Cb -0.34 0.35 -0.09 0.00 -0.57 0.00 0.00 34.95 34.31 2o5w s ARG 111 CO 0.39 -0.49 1.16 1.14 -1.08 0.00 0.00 175.30 176.41 2o5w s GLN 112 N -4.10 4.55 -0.13 3.89 -2.07 -1.26 -5.04 119.66 115.50 2o5w s GLN 112 Ca 0.32 1.85 -0.01 0.00 -1.82 0.00 0.00 55.36 55.69 2o5w s GLN 112 Cb 0.04 -3.21 -0.02 0.00 -1.09 0.00 0.00 33.01 28.72 2o5w s GLN 112 CO 0.10 0.04 -0.09 0.42 -1.32 0.00 0.00 175.29 174.45 2o5w s ILE 113 N -0.57 3.45 -1.14 3.63 -1.09 -1.26 -5.04 121.20 119.18 2o5w s ILE 113 Ca 0.49 -0.52 -0.08 0.00 -2.23 0.00 0.00 60.65 58.30 2o5w s ILE 113 Cb -0.32 -2.47 0.26 0.00 -1.58 0.00 0.00 42.46 38.34 2o5w s ILE 113 CO 0.39 0.52 1.37 0.52 -1.23 0.00 0.00 174.94 176.51 2o5w n VAL 114 N 3.41 4.72 -2.26 2.92 0.31 -1.26 -5.02 118.33 121.15 2o5w n VAL 114 Ca -0.18 -5.32 -0.38 0.00 -0.01 0.00 0.00 64.34 58.46 2o5w n VAL 114 Cb 0.53 -2.39 -0.02 0.00 -0.91 0.00 0.00 33.84 31.05 2o5w n VAL 114 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 2o5w s PHE 115 N -1.03 3.00 -0.02 3.52 -0.71 -1.26 -3.81 117.98 117.67 2o5w s PHE 115 Ca 0.34 1.53 0.03 0.00 -1.04 0.00 0.00 56.93 57.79 2o5w s PHE 115 Cb -0.02 -3.42 -0.04 0.00 -1.21 0.00 0.00 43.02 38.33 2o5w s PHE 115 CO -0.00 -1.44 0.02 0.25 -1.34 0.00 0.00 175.22 172.71 2o5w n THR 116 N -0.03 0.14 0.32 -4.49 -2.24 -1.08 -4.75 114.28 102.16 2o5w n THR 116 Ca 0.05 -0.11 0.03 0.00 -2.27 0.00 0.00 64.05 61.75 2o5w n THR 116 Cb 0.46 -0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 2o5w n THR 116 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2o5w n GLU 117 N -1.98 4.17 -3.92 -0.78 1.02 -1.26 -5.04 120.64 112.86 2o5w n GLU 117 Ca -0.04 -0.12 -0.23 0.00 -0.02 0.00 0.00 57.16 56.76 2o5w n GLU 117 Cb 0.46 -0.86 -0.05 0.00 -0.02 0.00 0.00 31.44 30.97 2o5w n GLU 117 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2o5w s HIS 118 N -1.53 2.71 -0.02 -0.32 3.76 -1.26 -4.31 115.29 114.33 2o5w s HIS 118 Ca 0.03 -0.45 -0.07 0.00 -0.15 0.00 0.00 55.06 54.43 2o5w s HIS 118 Cb 0.05 -1.88 -0.29 0.00 1.11 0.00 0.00 32.58 31.57 2o5w s HIS 118 CO 0.26 0.16 0.79 -0.07 -0.85 0.00 0.00 174.74 175.03 2o5w h LEU 119 N 1.34 0.51 -7.33 0.89 4.07 -1.15 -3.48 115.31 110.15 2o5w h LEU 119 Ca -0.43 -0.72 0.09 0.00 0.08 0.00 0.00 57.88 56.91 2o5w h LEU 119 Cb 1.26 -0.17 -0.11 0.00 1.08 0.00 0.00 40.66 42.72 2o5w h LEU 119 CO 0.62 1.60 0.38 0.00 -1.08 0.00 0.00 178.44 179.97 2o5w s ALA 120 N -2.60 -1.63 0.09 1.53 0.00 -1.26 -4.99 121.76 112.90 2o5w s ALA 120 Ca -0.12 0.45 0.07 0.00 0.00 0.00 0.00 51.96 52.36 2o5w s ALA 120 Cb 0.06 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 2o5w s ALA 120 CO 0.86 -0.86 -0.18 1.52 0.00 0.00 0.00 175.76 177.10 2o5w s TYR 121 N -3.43 1.53 0.02 0.00 1.13 -1.26 -0.94 117.35 114.40 2o5w s TYR 121 Ca 0.07 -0.44 0.04 0.00 -1.41 0.00 0.00 57.07 55.33 2o5w s TYR 121 Cb -0.02 -0.85 -0.02 0.00 -1.10 0.00 0.00 41.96 39.98 2o5w s TYR 121 CO -0.04 0.14 -0.12 0.15 -2.51 0.00 0.00 175.55 173.17 2o5w s LYS 122 N -1.87 0.82 -0.40 -3.49 1.02 -0.66 -5.01 119.74 110.14 2o5w s LYS 122 Ca 0.03 -0.60 -0.16 0.00 0.02 0.00 0.00 55.97 55.26 2o5w s LYS 122 Cb -0.10 -0.78 0.02 0.00 -0.52 0.00 0.00 37.83 36.44 2o5w s LYS 122 CO 0.03 0.20 0.35 -1.58 -0.92 0.00 0.00 175.35 173.43 2o5w s TRP 123 N -0.69 3.21 0.22 3.18 0.52 -1.26 -1.96 118.94 122.16 2o5w s TRP 123 Ca 0.01 -0.45 0.09 0.00 0.02 0.00 0.00 56.10 55.77 2o5w s TRP 123 Cb -0.07 -2.69 -0.04 0.00 -1.15 0.00 0.00 33.47 29.52 2o5w s TRP 123 CO 0.01 -0.60 -0.04 -0.51 0.02 0.00 0.00 176.95 175.83 2o5w s LEU 124 N 1.86 3.13 0.50 2.99 1.43 -0.69 -4.84 118.68 123.07 2o5w s LEU 124 Ca 0.08 -0.59 -0.22 0.00 -1.03 0.00 0.00 54.13 52.37 2o5w s LEU 124 Cb -0.18 -1.73 -0.06 0.00 0.03 0.00 0.00 46.19 44.25 2o5w s LEU 124 CO 0.11 0.05 1.20 1.51 0.23 0.00 0.00 176.35 179.46 2o5w s ASP 125 N -3.29 5.82 0.16 2.29 1.47 -1.26 0.86 116.67 122.73 2o5w s ASP 125 Ca 0.29 2.39 -0.18 0.00 1.18 0.00 0.00 52.55 56.22 2o5w s ASP 125 Cb -0.08 -2.61 0.08 0.00 -0.34 0.00 0.00 42.92 39.98 2o5w s ASP 125 CO 0.18 -1.16 1.65 0.00 0.68 0.00 0.00 175.17 176.52 2o5w h ALA 126 N 1.68 0.16 -0.75 2.11 0.00 -1.94 0.16 119.26 120.68 2o5w h ALA 126 Ca -0.50 0.14 0.14 0.00 0.00 0.00 0.00 54.91 54.69 2o5w h ALA 126 Cb 1.27 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 19.34 2o5w h ALA 126 CO 0.59 -0.51 0.31 -1.35 0.00 0.00 0.00 179.25 178.28 2o5w h PRO 127 N -0.07 0.45 -0.40 0.00 0.11 -1.94 0.34 132.00 130.49 2o5w h PRO 127 Ca 0.18 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 2o5w h PRO 127 Cb 0.35 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 2o5w h PRO 127 CO -0.42 0.30 0.11 0.00 -0.21 0.00 0.00 178.00 177.78 2o5w h ALA 128 N 1.53 0.53 0.18 -0.75 0.00 -1.63 -2.18 119.26 116.94 2o5w h ALA 128 Ca 0.41 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2o5w h ALA 128 Cb 0.60 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2o5w h ALA 128 CO -0.39 0.19 -0.45 0.00 0.00 0.00 0.00 179.25 178.60 2o5w h ALA 129 N 0.96 -0.86 -0.85 0.00 0.00 -0.18 -2.02 119.26 116.31 2o5w h ALA 129 Ca 0.13 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.05 2o5w h ALA 129 Cb 0.29 0.74 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 2o5w h ALA 129 CO -0.00 -1.04 0.55 0.00 0.00 0.00 0.00 179.25 178.75 2o5w h ALA 130 N -0.35 1.75 -0.06 0.00 0.00 -0.81 -0.74 119.26 119.04 2o5w h ALA 130 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2o5w h ALA 130 Cb 0.73 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2o5w h ALA 130 CO -0.22 0.06 -0.55 0.00 0.00 0.00 0.00 179.25 178.53 2o5w h ALA 131 N 1.59 0.95 -0.01 0.00 0.00 -1.23 -3.33 119.26 117.24 2o5w h ALA 131 Ca 0.40 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2o5w h ALA 131 Cb 0.52 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2o5w h ALA 131 CO -0.17 0.69 -0.01 1.25 0.00 0.00 0.00 179.25 181.02 2o5w h LEU 132 N 0.15 0.01-10.02 0.00 6.46 -0.39 -3.46 115.31 108.07 2o5w h LEU 132 Ca -0.00 -0.51 -0.53 0.00 -0.12 0.00 0.00 57.88 56.72 2o5w h LEU 132 Cb 1.02 -0.00 0.11 0.00 -0.73 0.00 0.00 40.66 41.05 2o5w h LEU 132 CO 0.08 0.52 0.58 0.28 -0.62 0.00 0.00 178.44 179.29 2o5w s THR 133 N -4.17 2.43 -0.52 1.05 -1.32 -1.01 -4.67 115.64 107.44 2o5w s THR 133 Ca -0.16 0.33 0.24 0.00 -1.21 0.00 0.00 61.69 60.89 2o5w s THR 133 Cb 0.02 -3.18 0.19 0.00 -1.51 0.00 0.00 72.50 68.02 2o5w s THR 133 CO 0.68 0.01 1.46 0.11 -2.21 0.00 0.00 174.62 174.67 2o5w h LYS 134 N 1.84 0.00 -6.03 7.08 1.57 -1.87 -3.46 116.57 115.69 2o5w h LYS 134 Ca -0.50 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.69 2o5w h LYS 134 Cb 1.28 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.51 2o5w h LYS 134 CO 0.59 0.00 0.64 0.45 -0.57 0.00 0.00 179.45 180.56 2o5w s SER 135 N -5.14 6.85 0.35 0.86 0.15 -1.26 -4.93 113.70 110.59 2o5w s SER 135 Ca 0.06 0.96 0.11 0.00 0.70 0.00 0.00 55.95 57.79 2o5w s SER 135 Cb 0.10 -2.48 0.66 0.00 -1.71 0.00 0.00 66.02 62.59 2o5w s SER 135 CO 0.69 -0.72 1.80 4.11 1.20 0.00 0.00 173.24 180.32 2o5w h TRP 136 N 7.96 0.07 0.01 3.44 5.08 -1.98 -1.50 115.95 129.02 2o5w h TRP 136 Ca -0.22 -0.02 -0.00 0.00 1.08 0.00 0.00 58.89 59.74 2o5w h TRP 136 Cb 1.08 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 27.22 2o5w h TRP 136 CO 0.79 0.43 -0.00 0.66 -1.28 0.00 0.00 178.44 179.03 2o5w h SER 137 N 0.06 -0.01 -0.96 0.11 4.64 -1.99 -1.27 113.55 114.14 2o5w h SER 137 Ca 0.00 -0.46 0.14 0.00 -0.47 0.00 0.00 61.79 61.01 2o5w h SER 137 Cb 0.68 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.68 2o5w h SER 137 CO 0.05 0.46 0.58 -1.13 -0.87 0.00 0.00 176.83 175.92 2o5w h ASN 138 N -0.48 0.79 -0.61 4.97 -0.00 -1.94 0.40 115.58 118.72 2o5w h ASN 138 Ca -0.00 0.07 -0.02 0.00 -0.00 0.00 0.00 56.30 56.35 2o5w h ASN 138 Cb 0.47 -0.08 -0.03 0.00 -0.00 0.00 0.00 38.32 38.68 2o5w h ASN 138 CO 0.00 0.37 0.29 -0.09 -0.00 0.00 0.00 177.43 178.01 2o5w h ARG 139 N 0.85 0.88 -0.08 6.67 2.43 -1.18 -2.49 114.38 121.46 2o5w h ARG 139 Ca 0.51 -0.13 -0.19 0.00 -0.81 0.00 0.00 59.98 59.35 2o5w h ARG 139 Cb 0.62 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2o5w h ARG 139 CO -0.31 0.71 -0.76 0.37 -1.51 0.00 0.00 179.97 178.46 2o5w h GLN 140 N 0.84 0.45 -0.58 0.20 4.15 0.22 -2.64 115.11 117.76 2o5w h GLN 140 Ca 0.21 -0.39 -0.00 0.00 0.77 0.00 0.00 58.65 59.24 2o5w h GLN 140 Cb 0.12 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 2o5w h GLN 140 CO -0.03 1.02 0.35 0.00 -1.93 0.00 0.00 178.83 178.25 2o5w h ALA 141 N 0.86 0.74 -0.17 3.38 0.00 -0.12 -0.02 119.26 123.94 2o5w h ALA 141 Ca -0.04 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 2o5w h ALA 141 Cb 1.36 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2o5w h ALA 141 CO 0.13 0.23 -0.45 0.82 0.00 0.00 0.00 179.25 179.99 2o5w h ILE 142 N 0.79 1.32 0.15 0.00 2.04 -1.45 -1.27 117.51 119.09 2o5w h ILE 142 Ca 0.21 -1.63 -0.01 0.00 1.00 0.00 0.00 64.86 64.43 2o5w h ILE 142 Cb -0.01 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2o5w h ILE 142 CO -0.04 0.50 -0.07 -0.33 0.00 0.00 0.00 178.15 178.21 2o5w h GLU 143 N 0.34 -0.20 -0.23 2.37 5.08 -1.13 -1.14 114.58 119.68 2o5w h GLU 143 Ca 0.02 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2o5w h GLU 143 Cb 0.92 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 2o5w h GLU 143 CO 0.08 0.18 0.07 1.96 -1.00 0.00 0.00 179.01 180.31 2o5w h GLN 144 N -0.64 0.17 -0.02 2.33 4.20 -1.00 -1.40 115.11 118.75 2o5w h GLN 144 Ca -0.02 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2o5w h GLN 144 Cb 0.48 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2o5w h GLN 144 CO 0.03 0.11 0.00 1.19 -0.67 0.00 0.00 178.83 179.50 2o5w n PHE 145 N -5.05 0.01 0.01 2.96 3.72 -0.48 -3.73 117.46 114.90 2o5w n PHE 145 Ca -0.02 -0.02 -0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2o5w n PHE 145 Cb 0.08 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.62 2o5w n PHE 145 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2o5w n VAL 146 N 0.40 0.33 -0.21 -4.37 0.31 -0.53 -4.72 118.33 109.55 2o5w n VAL 146 Ca 0.04 0.15 0.22 0.00 -0.01 0.00 0.00 64.34 64.75 2o5w n VAL 146 Cb 0.19 -1.24 0.58 0.00 -0.91 0.00 0.00 33.84 32.46 2o5w n VAL 146 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2o5w h ILE 147 N -0.04 0.64 0.00 2.52 2.04 -1.37 -3.50 117.51 117.81 2o5w h ILE 147 Ca 0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2o5w h ILE 147 Cb 0.04 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2o5w h ILE 147 CO 0.00 0.05 0.00 -3.20 0.00 0.00 0.00 178.15 175.00