#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o5w s LYS 4 N 0.00 4.12 0.60 -1.24 1.02 -1.26 -5.07 119.74 117.91 2o5w s LYS 4 Ca 0.00 0.06 -0.19 0.00 0.02 0.00 0.00 55.97 55.86 2o5w s LYS 4 Cb 0.00 -3.56 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 2o5w s LYS 4 CO 0.00 -0.06 1.19 0.28 -0.92 0.00 0.00 175.35 175.85 2o5w n VAL 5 N 4.46 4.18 -2.14 3.17 0.31 -1.26 -4.96 118.33 122.09 2o5w n VAL 5 Ca -0.10 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.32 2o5w n VAL 5 Cb 0.51 -1.41 -0.03 0.00 -0.91 0.00 0.00 33.84 32.00 2o5w n VAL 5 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2o5w s TYR 6 N -1.40 3.17 0.71 3.52 2.02 -1.26 -4.99 117.35 119.12 2o5w s TYR 6 Ca 0.77 1.12 -0.15 0.00 -0.37 0.00 0.00 57.07 58.44 2o5w s TYR 6 Cb -0.41 -3.69 0.03 0.00 -0.40 0.00 0.00 41.96 37.49 2o5w s TYR 6 CO 0.45 -2.22 1.15 0.15 -1.57 0.00 0.00 175.55 173.51 2o5w s LYS 7 N -0.08 2.39 -0.03 -0.62 1.02 0.33 -4.92 119.74 117.83 2o5w s LYS 7 Ca 0.58 1.55 -0.16 0.00 0.02 0.00 0.00 55.97 57.97 2o5w s LYS 7 Cb -0.38 -1.88 -0.05 0.00 -0.52 0.00 0.00 37.83 34.99 2o5w s LYS 7 CO 0.39 -1.60 0.43 1.03 -0.92 0.00 0.00 175.35 174.68 2o5w s ARG 8 N -4.08 4.05 -0.02 1.68 0.52 -1.26 -4.38 118.95 115.46 2o5w s ARG 8 Ca 0.70 0.42 0.02 0.00 -0.52 0.00 0.00 55.73 56.35 2o5w s ARG 8 Cb -0.24 -3.28 0.09 0.00 0.52 0.00 0.00 34.95 32.04 2o5w s ARG 8 CO 0.45 0.54 0.80 -0.35 0.02 0.00 0.00 175.30 176.76 2o5w n PRO 9 N 2.32 1.36 -4.27 3.54 -0.04 -1.26 -4.54 135.00 132.11 2o5w n PRO 9 Ca -0.12 -0.35 -0.34 0.00 -0.04 0.00 0.00 63.50 62.66 2o5w n PRO 9 Cb 0.52 -1.39 -0.15 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.46 2.88 0.11 0.52 1.01 -1.26 0.32 120.40 122.52 2o5w s VAL 10 Ca 0.06 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 2o5w s VAL 10 Cb 0.04 -2.25 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 2o5w s VAL 10 CO 0.03 0.49 0.22 -0.94 0.00 0.00 0.00 175.10 174.89 2o5w s SER 11 N 1.05 0.09 0.20 3.32 1.04 0.17 -1.61 113.70 117.96 2o5w s SER 11 Ca -0.00 -0.70 0.07 0.00 0.48 0.00 0.00 55.95 55.80 2o5w s SER 11 Cb -0.15 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 2o5w s SER 11 CO -0.03 -0.78 0.05 0.27 0.98 0.00 0.00 173.24 173.73 2o5w s ILE 12 N -3.89 3.88 -0.08 -1.02 -5.25 -0.57 -1.50 121.20 112.77 2o5w s ILE 12 Ca 0.08 -1.47 0.03 0.00 -0.99 0.00 0.00 60.65 58.30 2o5w s ILE 12 Cb 0.04 -3.00 0.01 0.00 2.95 0.00 0.00 42.46 42.46 2o5w s ILE 12 CO -0.08 -0.19 -0.16 -0.22 -1.79 0.00 0.00 174.94 172.49 2o5w s LEU 13 N -3.23 1.79 -0.32 0.37 2.96 0.14 -3.42 118.68 116.98 2o5w s LEU 13 Ca 0.29 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 2o5w s LEU 13 Cb -0.09 -1.03 0.08 0.00 0.50 0.00 0.00 46.19 45.66 2o5w s LEU 13 CO 0.20 0.07 0.02 -0.69 -1.32 0.00 0.00 176.35 174.64 2o5w s VAL 14 N 0.57 2.55 -0.74 1.68 1.01 -0.11 0.76 120.40 126.12 2o5w s VAL 14 Ca -0.16 -1.91 -0.26 0.00 0.00 0.00 0.00 61.98 59.65 2o5w s VAL 14 Cb -0.16 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.56 2o5w s VAL 14 CO 0.05 -0.36 1.45 -0.69 0.00 0.00 0.00 175.10 175.56 2o5w s VAL 15 N 1.07 3.64 -0.07 2.92 1.01 -0.42 -3.03 120.40 125.51 2o5w s VAL 15 Ca 0.02 0.25 -0.16 0.00 0.00 0.00 0.00 61.98 62.08 2o5w s VAL 15 Cb -0.20 -4.68 -0.05 0.00 0.00 0.00 0.00 36.38 31.46 2o5w s VAL 15 CO -0.05 -1.62 0.43 -0.63 0.00 0.00 0.00 175.10 173.23 2o5w s ILE 16 N 6.59 5.13 0.05 2.22 1.01 -1.26 -2.27 121.20 132.67 2o5w s ILE 16 Ca 0.44 0.86 -0.07 0.00 0.00 0.00 0.00 60.65 61.89 2o5w s ILE 16 Cb -0.08 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 2o5w s ILE 16 CO 0.14 0.44 0.14 -0.72 0.00 0.00 0.00 174.94 174.94 2o5w s TYR 17 N -0.08 0.17 -0.12 3.97 1.13 -0.52 -1.54 117.35 120.35 2o5w s TYR 17 Ca 0.24 -0.51 -0.28 0.00 -1.41 0.00 0.00 57.07 55.11 2o5w s TYR 17 Cb -0.16 -0.11 -0.02 0.00 -1.10 0.00 0.00 41.96 40.58 2o5w s TYR 17 CO 0.11 -0.44 0.93 0.00 -2.51 0.00 0.00 175.55 173.64 2o5w s ALA 18 N -3.10 3.42 0.34 9.51 0.00 -0.70 -0.21 121.76 131.01 2o5w s ALA 18 Ca -0.01 0.26 0.08 0.00 0.00 0.00 0.00 51.96 52.29 2o5w s ALA 18 Cb 0.02 -3.33 0.61 0.00 0.00 0.00 0.00 23.12 20.41 2o5w s ALA 18 CO -0.07 -0.57 1.80 0.37 0.00 0.00 0.00 175.76 177.30 2o5w h GLN 19 N 7.13 0.23 -0.02 0.00 5.75 -0.15 0.13 115.11 128.19 2o5w h GLN 19 Ca -0.32 -0.08 -0.15 0.00 -0.15 0.00 0.00 58.65 57.95 2o5w h GLN 19 Cb 1.15 -0.02 0.01 0.00 1.07 0.00 0.00 27.48 29.69 2o5w h GLN 19 CO 0.84 0.50 -0.58 0.38 -2.65 0.00 0.00 178.83 177.32 2o5w h ASP 20 N 0.21 0.54 0.00 -0.69 2.03 -1.78 -3.36 116.42 113.36 2o5w h ASP 20 Ca 0.03 -0.74 0.00 0.00 -0.73 0.00 0.00 57.03 55.59 2o5w h ASP 20 Cb 0.61 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.94 2o5w h ASP 20 CO 0.04 1.20 -1.46 0.35 -1.03 0.00 0.00 179.24 178.35 2o5w n THR 21 N -4.23 0.00 -2.68 1.15 -2.24 -1.24 -5.01 114.28 100.04 2o5w n THR 21 Ca -0.10 -0.26 -0.21 0.00 -2.27 0.00 0.00 64.05 61.21 2o5w n THR 21 Cb 0.66 0.49 0.01 0.00 -2.10 0.00 0.00 70.33 69.39 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 -1.86 -3.17 -3.23 -0.78 4.76 0.46 -5.02 118.16 109.31 2o5w n LYS 22 Ca -0.00 0.93 -0.30 0.00 -2.87 0.00 0.00 58.31 56.07 2o5w n LYS 22 Cb 0.43 -5.63 -0.04 0.00 -1.84 0.00 0.00 35.03 27.95 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 -5.33 3.70 -0.12 1.97 0.52 -1.24 -4.13 118.95 114.31 2o5w s ARG 23 Ca 0.15 0.17 -0.03 0.00 -0.52 0.00 0.00 55.73 55.49 2o5w s ARG 23 Cb -0.06 -2.58 -0.03 0.00 0.52 0.00 0.00 34.95 32.79 2o5w s ARG 23 CO 0.18 0.17 0.00 0.08 0.02 0.00 0.00 175.30 175.75 2o5w s VAL 24 N -2.11 4.27 -0.46 3.52 1.01 0.44 -1.73 120.40 125.33 2o5w s VAL 24 Ca 0.46 -0.24 -0.26 0.00 0.00 0.00 0.00 61.98 61.94 2o5w s VAL 24 Cb -0.11 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.46 2o5w s VAL 24 CO 0.29 0.55 0.99 -0.22 0.00 0.00 0.00 175.10 176.71 2o5w s LEU 25 N -0.32 3.90 -0.08 3.92 2.96 -0.59 -1.45 118.68 127.02 2o5w s LEU 25 Ca 0.07 0.23 0.00 0.00 -0.22 0.00 0.00 54.13 54.21 2o5w s LEU 25 Cb -0.12 -3.30 -0.03 0.00 0.50 0.00 0.00 46.19 43.24 2o5w s LEU 25 CO 0.02 -1.11 -0.07 -0.04 -1.32 0.00 0.00 176.35 173.83 2o5w s MET 26 N 3.96 2.91 -0.03 1.98 -1.94 -0.61 -4.46 119.30 121.11 2o5w s MET 26 Ca 0.40 -0.56 0.07 0.00 -1.71 0.00 0.00 55.69 53.89 2o5w s MET 26 Cb -0.09 -2.62 -0.02 0.00 2.01 0.00 0.00 34.83 34.10 2o5w s MET 26 CO 0.28 0.57 -0.25 -0.51 -0.01 0.00 0.00 175.02 175.09 2o5w s LEU 27 N -0.55 2.08 -0.24 -0.03 1.43 0.54 -0.75 118.68 121.16 2o5w s LEU 27 Ca 0.08 -0.47 -0.24 0.00 -1.03 0.00 0.00 54.13 52.47 2o5w s LEU 27 Cb -0.12 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.74 2o5w s LEU 27 CO 0.02 0.30 0.80 -1.58 0.23 0.00 0.00 176.35 176.13 2o5w s GLN 28 N -0.52 4.18 0.39 1.70 0.74 -0.59 -1.63 119.66 123.94 2o5w s GLN 28 Ca 0.07 0.90 -0.26 0.00 0.05 0.00 0.00 55.36 56.12 2o5w s GLN 28 Cb -0.11 -3.64 -0.09 0.00 1.10 0.00 0.00 33.01 30.28 2o5w s GLN 28 CO 0.00 -0.49 1.20 1.03 -0.55 0.00 0.00 175.29 176.48 2o5w s ARG 29 N 2.74 4.11 0.37 1.67 0.52 -1.05 -0.39 118.95 126.92 2o5w s ARG 29 Ca 0.34 1.91 0.20 0.00 -0.52 0.00 0.00 55.73 57.66 2o5w s ARG 29 Cb -0.15 -2.76 0.34 0.00 0.52 0.00 0.00 34.95 32.90 2o5w s ARG 29 CO 0.08 -0.30 1.58 0.07 0.02 0.00 0.00 175.30 176.75 2o5w h ARG 30 N 2.78 0.00 0.00 3.54 0.11 -1.92 -2.87 114.38 116.02 2o5w h ARG 30 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2o5w h ARG 30 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 2o5w h ARG 30 CO 0.63 0.26 -1.26 -0.40 0.10 0.00 0.00 179.97 179.30 2o5w n ASP 31 N -3.20 0.72 -3.33 0.08 5.75 -1.26 -4.66 116.55 110.65 2o5w n ASP 31 Ca 0.02 -0.71 -0.16 0.00 -0.01 0.00 0.00 54.79 53.94 2o5w n ASP 31 Cb 0.60 1.25 -0.07 0.00 -1.03 0.00 0.00 41.12 41.87 2o5w n ASP 31 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2o5w s ASP 32 N -3.42 0.89 0.00 -1.12 -1.08 -1.23 -5.03 116.67 105.68 2o5w s ASP 32 Ca 0.04 -1.63 0.00 0.00 -0.52 0.00 0.00 52.55 50.43 2o5w s ASP 32 Cb 0.15 0.66 0.00 0.00 -1.46 0.00 0.00 42.92 42.27 2o5w s ASP 32 CO 0.88 -0.24 0.64 -2.65 0.52 0.00 0.00 175.17 174.33 2o5w n PRO 33 N 4.10 0.00 0.00 4.34 -0.02 -1.09 -0.15 135.00 142.18 2o5w n PRO 33 Ca 0.13 0.19 0.08 0.00 -2.02 0.00 0.00 63.50 61.88 2o5w n PRO 33 Cb 0.46 -1.53 0.01 0.00 -0.02 0.00 0.00 33.50 32.42 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 -1.14 1.77 -4.24 2.55 8.00 -1.26 -4.81 116.55 117.42 2o5w n ASP 34 Ca 0.00 -1.38 -0.42 0.00 0.71 0.00 0.00 54.79 53.69 2o5w n ASP 34 Cb 0.03 0.42 -0.07 0.00 -0.02 0.00 0.00 41.12 41.48 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 -1.92 3.38 0.02 1.24 2.19 0.78 -4.76 117.98 118.92 2o5w s PHE 35 Ca 0.15 -1.73 -0.08 0.00 0.33 0.00 0.00 56.93 55.60 2o5w s PHE 35 Cb 0.14 -3.58 -0.05 0.00 -1.31 0.00 0.00 43.02 38.21 2o5w s PHE 35 CO 0.40 -1.00 0.31 -1.58 1.83 0.00 0.00 175.22 175.18 2o5w s TRP 36 N 1.40 3.59 0.25 10.12 0.52 -1.26 -2.53 118.94 131.02 2o5w s TRP 36 Ca 0.05 0.66 -0.22 0.00 0.02 0.00 0.00 56.10 56.61 2o5w s TRP 36 Cb -0.27 -2.05 0.04 0.00 -1.15 0.00 0.00 33.47 30.04 2o5w s TRP 36 CO 0.00 0.59 0.82 1.14 0.02 0.00 0.00 176.95 179.53 2o5w s GLN 37 N -1.74 1.63 1.00 4.98 -2.07 -0.64 -4.02 119.66 118.80 2o5w s GLN 37 Ca 0.28 -0.94 -0.17 0.00 -1.82 0.00 0.00 55.36 52.72 2o5w s GLN 37 Cb -0.14 0.53 0.22 0.00 -1.09 0.00 0.00 33.01 32.54 2o5w s GLN 37 CO 0.16 -0.75 1.31 -1.12 -1.32 0.00 0.00 175.29 173.57 2o5w s SER 38 N -2.98 2.80 0.18 12.60 0.01 -1.26 -0.34 113.70 124.71 2o5w s SER 38 Ca 0.13 0.27 -0.32 0.00 1.31 0.00 0.00 55.95 57.33 2o5w s SER 38 Cb -0.04 -0.29 -0.11 0.00 0.21 0.00 0.00 66.02 65.79 2o5w s SER 38 CO 0.06 -2.93 1.64 -0.69 0.41 0.00 0.00 173.24 171.73 2o5w s VAL 39 N -3.83 2.37 0.05 3.43 1.01 -1.17 -4.87 120.40 117.40 2o5w s VAL 39 Ca 0.75 0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.96 2o5w s VAL 39 Cb -0.04 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 2o5w s VAL 39 CO 0.54 0.02 0.00 0.42 0.00 0.00 0.00 175.10 176.08 2o5w s THR 40 N 1.21 0.20 -0.14 3.92 -4.23 -1.26 -0.94 115.64 114.40 2o5w s THR 40 Ca 0.72 -1.63 -0.33 0.00 -1.18 0.00 0.00 61.69 59.27 2o5w s THR 40 Cb -0.46 -1.37 0.13 0.00 1.34 0.00 0.00 72.50 72.13 2o5w s THR 40 CO 0.32 -0.90 1.12 -0.83 -0.54 0.00 0.00 174.62 173.79 2o5w s GLY 41 N -2.76 -0.34 0.76 3.99 0.00 -1.22 -5.03 107.32 102.72 2o5w s GLY 41 Ca 0.04 1.43 -0.11 0.00 0.00 0.00 0.00 44.72 46.09 2o5w s GLY 41 CO -0.09 0.47 1.08 -0.56 0.00 0.00 0.00 173.10 174.00 2o5w s SER 42 N -2.27 4.76 -0.45 1.64 0.01 -1.26 -1.52 113.70 114.61 2o5w s SER 42 Ca 0.08 1.62 -0.17 0.00 1.31 0.00 0.00 55.95 58.79 2o5w s SER 42 Cb -0.01 -2.39 0.04 0.00 0.21 0.00 0.00 66.02 63.87 2o5w s SER 42 CO -0.06 -1.84 0.44 -0.69 0.41 0.00 0.00 173.24 171.50 2o5w s VAL 43 N -3.01 5.11 1.11 3.43 1.01 -0.64 -4.80 120.40 122.62 2o5w s VAL 43 Ca 0.60 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 2o5w s VAL 43 Cb -0.15 -4.10 0.25 0.00 0.00 0.00 0.00 36.38 32.38 2o5w s VAL 43 CO 0.55 -0.53 1.06 -1.61 0.00 0.00 0.00 175.10 174.57 2o5w s GLU 44 N 2.02 -0.47 0.27 2.72 0.41 -1.26 -4.94 118.70 117.46 2o5w s GLU 44 Ca 0.09 0.61 -0.29 0.00 -0.41 0.00 0.00 54.97 54.96 2o5w s GLU 44 Cb -0.20 -1.63 -0.10 0.00 -1.78 0.00 0.00 34.13 30.43 2o5w s GLU 44 CO 0.11 -3.36 1.25 -1.21 -0.49 0.00 0.00 175.26 171.56 2o5w s GLU 45 N -4.73 4.45 -0.79 1.61 2.02 -1.26 -3.30 118.70 116.69 2o5w s GLU 45 Ca 0.67 2.05 -0.04 0.00 0.02 0.00 0.00 54.97 57.67 2o5w s GLU 45 Cb -0.21 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 30.88 2o5w s GLU 45 CO 0.61 -0.10 0.54 0.41 0.02 0.00 0.00 175.26 176.75 2o5w n GLY 46 N 1.42 0.08 2.94 -1.39 0.00 -1.26 -5.02 105.19 101.96 2o5w n GLY 46 Ca 0.02 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 2o5w n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2o5w s GLU 47 N -5.53 0.08 0.57 1.61 2.12 -1.21 -5.14 118.70 111.20 2o5w s GLU 47 Ca 0.27 0.11 -0.03 0.00 0.36 0.00 0.00 54.97 55.68 2o5w s GLU 47 Cb -0.12 0.02 0.02 0.00 0.26 0.00 0.00 34.13 34.31 2o5w s GLU 47 CO 0.33 -0.02 0.84 0.95 -0.54 0.00 0.00 175.26 176.82 2o5w s THR 48 N 0.14 3.32 0.12 -1.70 -4.23 -1.26 -4.81 115.64 107.21 2o5w s THR 48 Ca -0.01 -0.29 -0.19 0.00 -1.18 0.00 0.00 61.69 60.02 2o5w s THR 48 Cb -0.02 -3.30 -0.07 0.00 1.34 0.00 0.00 72.50 70.46 2o5w s THR 48 CO -0.00 -0.27 1.74 0.00 -0.54 0.00 0.00 174.62 175.55 2o5w h ALA 49 N -0.06 0.28 -0.75 3.99 0.00 -1.98 0.21 119.26 120.95 2o5w h ALA 49 Ca -0.45 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.44 2o5w h ALA 49 Cb 1.27 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 2o5w h ALA 49 CO 0.58 -0.21 0.49 -1.35 0.00 0.00 0.00 179.25 178.76 2o5w h PRO 50 N 0.27 0.94 -0.63 0.00 0.11 -1.98 0.46 132.00 131.17 2o5w h PRO 50 Ca 0.08 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 66.19 2o5w h PRO 50 Cb 0.03 -0.21 -0.06 0.00 0.11 0.00 0.00 31.00 30.87 2o5w h PRO 50 CO -0.01 0.62 0.33 1.96 -0.21 0.00 0.00 178.00 180.69 2o5w h GLN 51 N 0.97 0.59 -0.42 1.05 4.20 -1.91 0.28 115.11 119.87 2o5w h GLN 51 Ca 0.29 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.88 2o5w h GLN 51 Cb -0.05 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 2o5w h GLN 51 CO -0.08 0.39 -0.09 0.00 -0.67 0.00 0.00 178.83 178.38 2o5w h ALA 52 N 1.35 1.06 -0.06 3.87 0.00 0.34 -1.14 119.26 124.67 2o5w h ALA 52 Ca 0.29 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2o5w h ALA 52 Cb 0.21 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2o5w h ALA 52 CO -0.20 0.58 0.01 0.00 0.00 0.00 0.00 179.25 179.64 2o5w h ALA 53 N 1.23 0.09 -0.65 0.00 0.00 0.28 -0.66 119.26 119.55 2o5w h ALA 53 Ca 0.12 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2o5w h ALA 53 Cb 0.54 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2o5w h ALA 53 CO 0.03 -0.28 0.40 0.52 0.00 0.00 0.00 179.25 179.93 2o5w h MET 54 N -0.13 0.76 -0.57 0.00 2.07 -0.83 -1.83 114.93 114.41 2o5w h MET 54 Ca 0.02 -0.05 -0.11 0.00 -2.07 0.00 0.00 59.70 57.50 2o5w h MET 54 Cb 0.27 -0.17 -0.02 0.00 -1.87 0.00 0.00 31.60 29.81 2o5w h MET 54 CO 0.00 0.50 -0.06 -0.09 1.07 0.00 0.00 176.91 178.33 2o5w h ARG 55 N 0.79 1.04 -0.73 1.72 2.43 -1.10 -2.36 114.38 116.17 2o5w h ARG 55 Ca 0.26 -0.36 0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2o5w h ARG 55 Cb 0.02 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.45 2o5w h ARG 55 CO -0.11 1.05 0.45 0.93 -1.51 0.00 0.00 179.97 180.79 2o5w h GLU 56 N 0.93 0.86 -0.24 0.20 4.39 -0.88 0.15 114.58 120.00 2o5w h GLU 56 Ca 0.15 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.62 2o5w h GLU 56 Cb 0.63 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2o5w h GLU 56 CO 0.04 0.57 -0.57 0.28 -1.16 0.00 0.00 179.01 178.17 2o5w h VAL 57 N 0.88 1.29 -0.38 3.13 2.07 -1.23 0.46 116.25 122.47 2o5w h VAL 57 Ca 0.29 -1.79 -0.06 0.00 0.82 0.00 0.00 66.70 65.97 2o5w h VAL 57 Cb 0.03 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2o5w h VAL 57 CO -0.11 0.57 0.00 0.50 0.02 0.00 0.00 177.57 178.55 2o5w h LYS 58 N 0.57 0.67 -0.04 1.57 3.64 -1.36 -2.73 116.57 118.91 2o5w h LYS 58 Ca 0.01 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 2o5w h LYS 58 Cb 1.16 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2o5w h LYS 58 CO 0.12 0.77 0.00 0.93 -2.27 0.00 0.00 179.45 179.00 2o5w h GLU 59 N 0.50 0.07 0.00 1.90 5.08 -0.89 -3.03 114.58 118.21 2o5w h GLU 59 Ca 0.11 -0.02 -0.26 0.00 -1.00 0.00 0.00 59.36 58.19 2o5w h GLU 59 Cb 0.47 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 2o5w h GLU 59 CO 0.02 0.34 -1.80 0.39 -1.00 0.00 0.00 179.01 176.96 2o5w n GLU 60 N -4.90 0.64 -0.04 2.33 1.02 0.14 -4.41 120.64 115.43 2o5w n GLU 60 Ca -0.07 0.18 0.01 0.00 -0.02 0.00 0.00 57.16 57.26 2o5w n GLU 60 Cb 0.17 -1.72 0.01 0.00 -0.02 0.00 0.00 31.44 29.88 2o5w n GLU 60 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2o5w n VAL 61 N -2.90 0.61 -3.88 2.62 0.24 -1.05 -2.93 118.33 111.04 2o5w n VAL 61 Ca -0.18 -0.64 -0.39 0.00 -2.04 0.00 0.00 64.34 61.09 2o5w n VAL 61 Cb 1.00 0.64 0.03 0.00 -1.47 0.00 0.00 33.84 34.03 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 -0.34 -4.22 -3.76 3.34 -1.04 -1.09 -4.10 114.28 103.06 2o5w n THR 62 Ca 0.01 -0.72 -0.29 0.00 -2.04 0.00 0.00 64.05 61.01 2o5w n THR 62 Cb 0.41 -3.28 -0.16 0.00 -1.82 0.00 0.00 70.33 65.48 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 -3.46 0.75 -0.38 12.58 1.01 -1.13 -4.86 121.20 125.71 2o5w s ILE 63 Ca 0.46 -0.88 -0.29 0.00 0.00 0.00 0.00 60.65 59.94 2o5w s ILE 63 Cb -0.21 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 40.95 2o5w s ILE 63 CO 0.92 -0.33 1.50 -0.62 0.00 0.00 0.00 174.94 176.41 2o5w s ASP 64 N 1.73 6.26 0.06 3.58 -1.08 -1.26 -3.90 116.67 122.07 2o5w s ASP 64 Ca 0.01 0.98 -0.27 0.00 -0.52 0.00 0.00 52.55 52.75 2o5w s ASP 64 Cb -0.17 -2.54 -0.17 0.00 -1.46 0.00 0.00 42.92 38.58 2o5w s ASP 64 CO -0.13 -1.46 1.60 0.58 0.52 0.00 0.00 175.17 176.28 2o5w h VAL 65 N 6.49 0.73 0.81 1.11 2.07 -1.90 -2.00 116.25 123.56 2o5w h VAL 65 Ca -0.29 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 2o5w h VAL 65 Cb 1.12 0.81 0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2o5w h VAL 65 CO 1.07 0.03 -0.39 0.58 0.02 0.00 0.00 177.57 178.88 2o5w h VAL 66 N -0.47 0.03 -0.79 2.57 2.07 -1.90 -0.88 116.25 116.87 2o5w h VAL 66 Ca -0.04 -0.20 0.11 0.00 0.82 0.00 0.00 66.70 67.39 2o5w h VAL 66 Cb 0.35 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.10 2o5w h VAL 66 CO 0.07 0.00 0.52 0.00 0.02 0.00 0.00 177.57 178.18 2o5w h ALA 67 N -1.25 1.81 -0.01 1.67 0.00 -1.97 0.16 119.26 119.68 2o5w h ALA 67 Ca -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2o5w h ALA 67 Cb 0.83 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2o5w h ALA 67 CO 0.18 0.01 -0.06 0.39 0.00 0.00 0.00 179.25 179.78 2o5w n GLU 68 N -4.51 1.13 -3.09 0.00 1.02 -0.75 -4.93 120.64 109.50 2o5w n GLU 68 Ca 0.14 -0.46 -0.23 0.00 -0.02 0.00 0.00 57.16 56.59 2o5w n GLU 68 Cb 0.36 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.33 2o5w n GLU 68 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2o5w n GLN 69 N -0.54 -5.06 -3.22 3.49 7.27 0.56 -4.99 117.38 114.90 2o5w n GLN 69 Ca 0.18 0.88 -0.31 0.00 0.07 0.00 0.00 57.00 57.82 2o5w n GLN 69 Cb 0.27 -5.75 -0.05 0.00 2.41 0.00 0.00 30.24 27.12 2o5w n GLN 69 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2o5w s LEU 70 N -6.74 4.05 -0.24 1.69 1.43 -0.45 -5.04 118.68 113.39 2o5w s LEU 70 Ca 0.33 1.00 -0.08 0.00 -1.03 0.00 0.00 54.13 54.36 2o5w s LEU 70 Cb -0.15 -3.81 -0.03 0.00 0.03 0.00 0.00 46.19 42.22 2o5w s LEU 70 CO 0.41 -0.20 0.09 0.42 0.23 0.00 0.00 176.35 177.30 2o5w s THR 71 N -2.03 4.55 -0.17 5.49 -4.23 -1.26 -4.62 115.64 113.37 2o5w s THR 71 Ca 0.49 -0.09 -0.26 0.00 -1.18 0.00 0.00 61.69 60.65 2o5w s THR 71 Cb -0.11 -3.12 -0.01 0.00 1.34 0.00 0.00 72.50 70.60 2o5w s THR 71 CO 0.24 0.35 0.86 -0.22 -0.54 0.00 0.00 174.62 175.30 2o5w s LEU 72 N 1.42 4.17 -0.28 4.79 2.96 -1.26 -4.59 118.68 125.88 2o5w s LEU 72 Ca 0.06 1.20 -0.10 0.00 -0.22 0.00 0.00 54.13 55.07 2o5w s LEU 72 Cb -0.15 -3.27 -0.04 0.00 0.50 0.00 0.00 46.19 43.24 2o5w s LEU 72 CO 0.04 -0.43 0.16 -0.63 -1.32 0.00 0.00 176.35 174.18 2o5w s ILE 73 N 2.24 4.97 -0.25 6.68 1.01 0.01 -4.97 121.20 130.88 2o5w s ILE 73 Ca 0.39 -0.04 -0.28 0.00 0.00 0.00 0.00 60.65 60.72 2o5w s ILE 73 Cb -0.16 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 2o5w s ILE 73 CO 0.12 0.22 2.06 -0.62 0.00 0.00 0.00 174.94 176.72 2o5w s ASP 74 N 1.70 5.63 -0.18 3.58 -1.08 -1.26 -0.45 116.67 124.62 2o5w s ASP 74 Ca 0.06 1.70 0.03 0.00 -0.52 0.00 0.00 52.55 53.82 2o5w s ASP 74 Cb -0.16 -2.52 0.32 0.00 -1.46 0.00 0.00 42.92 39.11 2o5w s ASP 74 CO 0.08 -1.85 1.33 0.00 0.52 0.00 0.00 175.17 175.26 2o5w n GLN 76 N -0.12 -0.09 -3.66 0.00 6.02 -1.24 -4.81 117.38 113.48 2o5w n GLN 76 Ca 0.24 0.04 -0.07 0.00 -0.01 0.00 0.00 57.00 57.20 2o5w n GLN 76 Cb 0.95 -0.12 -0.08 0.00 1.02 0.00 0.00 30.24 32.00 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 -2.06 0.49 -0.17 -1.09 1.81 -1.26 -5.02 118.95 111.65 2o5w s ARG 77 Ca 0.00 1.08 -0.01 0.00 -1.72 0.00 0.00 55.73 55.08 2o5w s ARG 77 Cb -0.00 0.26 0.05 0.00 -0.45 0.00 0.00 34.95 34.81 2o5w s ARG 77 CO 0.05 -0.19 -0.03 0.99 -0.68 0.00 0.00 175.30 175.45 2o5w s THR 78 N 2.01 0.92 0.27 0.02 2.01 -1.26 -1.24 115.64 118.38 2o5w s THR 78 Ca -0.07 -0.58 0.09 0.00 0.31 0.00 0.00 61.69 61.44 2o5w s THR 78 Cb -0.09 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 2o5w s THR 78 CO -0.16 0.04 0.00 0.68 -0.69 0.00 0.00 174.62 174.50 2o5w s VAL 79 N 1.70 3.47 -0.02 3.82 -7.23 -0.60 -4.95 120.40 116.60 2o5w s VAL 79 Ca 0.00 -1.90 0.07 0.00 -1.81 0.00 0.00 61.98 58.34 2o5w s VAL 79 Cb -0.16 -2.86 -0.02 0.00 0.56 0.00 0.00 36.38 33.91 2o5w s VAL 79 CO -0.07 -0.37 -0.23 -0.70 -0.31 0.00 0.00 175.10 173.41 2o5w s GLU 80 N -3.68 1.91 0.17 4.82 2.12 -1.26 -1.30 118.70 121.47 2o5w s GLU 80 Ca 0.31 -0.82 -0.11 0.00 0.36 0.00 0.00 54.97 54.71 2o5w s GLU 80 Cb -0.06 -1.82 0.00 0.00 0.26 0.00 0.00 34.13 32.50 2o5w s GLU 80 CO 0.20 0.48 0.34 -0.59 -0.54 0.00 0.00 175.26 175.15 2o5w s PHE 81 N -0.50 0.25 0.17 5.30 -0.12 -0.90 -5.00 117.98 117.18 2o5w s PHE 81 Ca 0.08 -0.61 -0.30 0.00 -0.05 0.00 0.00 56.93 56.05 2o5w s PHE 81 Cb -0.09 0.06 -0.08 0.00 -0.63 0.00 0.00 43.02 42.28 2o5w s PHE 81 CO -0.01 -0.76 1.13 -2.00 -0.05 0.00 0.00 175.22 173.53 2o5w s GLU 82 N -3.94 4.56 0.18 1.99 2.56 -1.26 -1.62 118.70 121.18 2o5w s GLU 82 Ca 0.14 1.76 -0.30 0.00 0.00 0.00 0.00 54.97 56.57 2o5w s GLU 82 Cb 0.02 -3.27 -0.08 0.00 2.00 0.00 0.00 34.13 32.81 2o5w s GLU 82 CO -0.02 0.02 0.99 0.42 -0.56 0.00 0.00 175.26 176.11 2o5w s ILE 83 N -0.14 4.14 0.17 -3.70 1.01 -1.10 -4.89 121.20 116.70 2o5w s ILE 83 Ca 0.51 1.94 -0.33 0.00 0.00 0.00 0.00 60.65 62.77 2o5w s ILE 83 Cb -0.30 -4.24 -0.13 0.00 0.01 0.00 0.00 42.46 37.80 2o5w s ILE 83 CO 0.35 0.38 1.65 0.49 0.00 0.00 0.00 174.94 177.81 2o5w n PHE 84 N 2.11 2.46 -0.33 3.97 3.72 -1.26 -4.78 117.46 123.35 2o5w n PHE 84 Ca 0.01 0.16 0.06 0.00 -0.05 0.00 0.00 57.45 57.63 2o5w n PHE 84 Cb 0.47 -2.60 0.22 0.00 -0.94 0.00 0.00 39.48 36.63 2o5w n PHE 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2o5w h SER 85 N 6.39 0.79 0.00 4.37 4.64 -1.99 0.26 113.55 128.00 2o5w h SER 85 Ca -0.44 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2o5w h SER 85 Cb 1.23 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2o5w h SER 85 CO 0.92 0.41 0.00 0.00 -0.87 0.00 0.00 176.83 177.28 2o5w n HIS 86 N -4.70 0.00 0.00 4.77 1.44 -1.26 -2.23 115.22 113.24 2o5w n HIS 86 Ca 0.17 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.88 2o5w n HIS 86 Cb 0.36 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.47 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 -0.96 0.00 -0.19 2.39 4.32 0.81 -4.85 117.00 118.52 2o5w n LEU 87 Ca 0.09 -0.18 -0.00 0.00 -0.02 0.00 0.00 56.01 55.89 2o5w n LEU 87 Cb 0.04 0.00 0.10 0.00 -1.62 0.00 0.00 43.42 41.94 2o5w n LEU 87 CO 0.06 0.00 0.90 -0.09 -1.22 0.00 0.00 177.39 177.05 2o5w h ARG 88 N 0.00 0.23 0.00 3.23 2.43 -0.79 -2.28 114.38 117.20 2o5w h ARG 88 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2o5w h ARG 88 Cb 0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2o5w h ARG 88 CO 0.00 0.15 0.02 -2.39 -1.51 0.00 0.00 179.97 176.24 2o5w n HIS 89 N -5.14 0.00 1.25 2.20 1.44 -1.26 0.03 115.22 113.74 2o5w n HIS 89 Ca 0.08 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.93 2o5w n HIS 89 Cb 0.30 -0.17 0.53 0.00 0.12 0.00 0.00 29.99 30.77 2o5w n HIS 89 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2o5w n ARG 90 N -1.13 0.45 -4.20 -1.40 5.12 -0.86 -4.87 116.66 109.77 2o5w n ARG 90 Ca 0.00 -0.17 -0.23 0.00 -1.93 0.00 0.00 57.85 55.52 2o5w n ARG 90 Cb 0.02 -1.50 -0.07 0.00 -1.16 0.00 0.00 32.46 29.76 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 -2.66 2.74 0.65 -1.55 1.51 0.11 -0.51 117.35 117.63 2o5w s TYR 91 Ca 0.23 -0.28 -0.17 0.00 -1.01 0.00 0.00 57.07 55.84 2o5w s TYR 91 Cb 0.19 -1.39 -0.08 0.00 -0.11 0.00 0.00 41.96 40.57 2o5w s TYR 91 CO 0.53 0.50 0.35 0.00 -1.11 0.00 0.00 175.55 175.82 2o5w n ALA 92 N -1.02 -1.85 -2.04 3.71 0.00 -1.26 -4.83 120.51 113.21 2o5w n ALA 92 Ca -0.05 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 2o5w n ALA 92 Cb 0.60 -1.73 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 2o5w n ALA 92 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2o5w s PRO 93 N -2.20 4.25 0.00 0.00 0.02 -1.26 -1.86 135.00 133.95 2o5w s PRO 93 Ca 0.64 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.87 2o5w s PRO 93 Cb -0.40 -3.39 0.00 0.00 0.02 0.00 0.00 34.50 30.73 2o5w s PRO 93 CO 0.59 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 177.07 2o5w n GLY 94 N 3.75 2.48 3.61 0.52 0.00 -1.26 -5.04 105.19 109.24 2o5w n GLY 94 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.65 3.87 0.00 1.61 1.01 -0.78 -4.85 120.40 118.61 2o5w s VAL 95 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.90 2o5w s VAL 95 Cb 0.00 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.31 2o5w s VAL 95 CO 0.00 -0.61 0.18 0.35 0.00 0.00 0.00 175.10 175.03 2o5w n THR 96 N 6.88 0.00 -4.25 3.92 -2.24 -1.26 -4.87 114.28 112.45 2o5w n THR 96 Ca 0.17 -0.36 -0.19 0.00 -2.27 0.00 0.00 64.05 61.40 2o5w n THR 96 Cb 0.47 1.15 -0.16 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.35 0.82 -0.02 -0.78 1.81 -1.26 -2.72 118.95 116.45 2o5w s ARG 97 Ca 0.00 -0.19 0.02 0.00 -1.72 0.00 0.00 55.73 53.84 2o5w s ARG 97 Cb 0.00 -0.79 -0.03 0.00 -0.45 0.00 0.00 34.95 33.68 2o5w s ARG 97 CO 0.00 0.02 -0.06 1.21 -0.68 0.00 0.00 175.30 175.80 2o5w s ASN 98 N 0.47 4.72 -0.16 0.23 2.47 -0.64 -4.83 114.94 117.20 2o5w s ASN 98 Ca -0.06 -0.08 -0.02 0.00 0.42 0.00 0.00 52.86 53.12 2o5w s ASN 98 Cb -0.10 -1.15 -0.02 0.00 -1.45 0.00 0.00 41.25 38.52 2o5w s ASN 98 CO 0.00 0.31 -0.07 -0.89 -3.72 0.00 0.00 177.10 172.73 2o5w s THR 99 N -0.94 3.48 -0.06 -5.21 2.01 0.15 -2.11 115.64 112.96 2o5w s THR 99 Ca 0.16 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.68 2o5w s THR 99 Cb -0.11 -2.51 0.02 0.00 0.01 0.00 0.00 72.50 69.90 2o5w s THR 99 CO 0.06 0.49 -0.09 -0.70 -0.69 0.00 0.00 174.62 173.69 2o5w s GLU 100 N 0.54 1.37 -0.12 4.92 2.12 -0.42 -0.66 118.70 126.45 2o5w s GLU 100 Ca -0.05 -0.29 -0.04 0.00 0.36 0.00 0.00 54.97 54.95 2o5w s GLU 100 Cb -0.15 -1.20 -0.03 0.00 0.26 0.00 0.00 34.13 33.00 2o5w s GLU 100 CO 0.03 -0.03 0.02 -1.12 -0.54 0.00 0.00 175.26 173.63 2o5w s SER 101 N 0.81 5.39 -0.10 -1.70 0.01 -0.56 -1.55 113.70 116.01 2o5w s SER 101 Ca -0.12 0.14 -0.12 0.00 1.31 0.00 0.00 55.95 57.15 2o5w s SER 101 Cb -0.15 -1.67 -0.05 0.00 0.21 0.00 0.00 66.02 64.36 2o5w s SER 101 CO 0.02 0.32 0.30 0.26 0.41 0.00 0.00 173.24 174.54 2o5w s TRP 102 N -0.52 3.59 0.20 2.43 0.51 -0.37 0.27 118.94 125.05 2o5w s TRP 102 Ca 0.09 0.72 0.08 0.00 -2.12 0.00 0.00 56.10 54.87 2o5w s TRP 102 Cb -0.12 -2.23 -0.05 0.00 -0.81 0.00 0.00 33.47 30.27 2o5w s TRP 102 CO 0.02 0.50 -0.15 -0.06 -0.51 0.00 0.00 176.95 176.75 2o5w s PHE 103 N -0.42 1.72 -0.05 -1.98 0.40 0.23 -1.98 117.98 115.90 2o5w s PHE 103 Ca 0.19 -0.56 0.02 0.00 -0.60 0.00 0.00 56.93 55.97 2o5w s PHE 103 Cb -0.14 -0.80 0.02 0.00 0.51 0.00 0.00 43.02 42.60 2o5w s PHE 103 CO 0.07 0.36 -0.08 0.00 0.70 0.00 0.00 175.22 176.27 2o5w s LEU 105 N 0.71 1.38 -0.28 0.00 2.96 -0.96 -0.81 118.68 121.67 2o5w s LEU 105 Ca -0.12 -0.35 -0.11 0.00 -0.22 0.00 0.00 54.13 53.33 2o5w s LEU 105 Cb -0.14 -0.93 -0.05 0.00 0.50 0.00 0.00 46.19 45.57 2o5w s LEU 105 CO 0.02 -0.08 0.20 0.00 -1.32 0.00 0.00 176.35 175.17 2o5w s ALA 106 N 1.50 3.53 0.15 5.97 0.00 -1.26 -1.44 121.76 130.21 2o5w s ALA 106 Ca 0.02 -1.07 -0.22 0.00 0.00 0.00 0.00 51.96 50.70 2o5w s ALA 106 Cb -0.13 -2.50 -0.08 0.00 0.00 0.00 0.00 23.12 20.42 2o5w s ALA 106 CO -0.07 -0.56 0.70 -0.51 0.00 0.00 0.00 175.76 175.32 2o5w s LEU 107 N 1.78 4.51 0.53 0.00 1.43 0.70 -4.86 118.68 122.77 2o5w s LEU 107 Ca 0.08 1.46 0.24 0.00 -1.03 0.00 0.00 54.13 54.88 2o5w s LEU 107 Cb -0.16 -3.24 1.45 0.00 0.03 0.00 0.00 46.19 44.27 2o5w s LEU 107 CO 0.11 0.19 2.12 1.55 0.23 0.00 0.00 176.35 180.54 2o5w h PRO 108 N 4.15 0.00 -3.35 1.29 0.13 -1.95 0.50 132.00 132.77 2o5w h PRO 108 Ca -0.48 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 2o5w h PRO 108 Cb 1.21 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.16 2o5w h PRO 108 CO 0.65 0.09 -0.31 -1.01 -0.23 0.00 0.00 178.00 177.19 2o5w s HIS 109 N -4.51 -0.06 0.63 1.56 3.76 -1.26 -3.48 115.29 111.93 2o5w s HIS 109 Ca -0.04 -0.07 -0.18 0.00 -0.15 0.00 0.00 55.06 54.63 2o5w s HIS 109 Cb 0.15 0.05 -0.03 0.00 1.11 0.00 0.00 32.58 33.86 2o5w s HIS 109 CO 0.61 -0.45 1.09 0.39 -0.85 0.00 0.00 174.74 175.52 2o5w n GLU 110 N 0.77 0.93 -3.61 1.40 1.02 -1.26 -4.83 120.64 115.06 2o5w n GLU 110 Ca -0.19 0.37 -0.11 0.00 -0.02 0.00 0.00 57.16 57.21 2o5w n GLU 110 Cb 0.58 -2.31 -0.04 0.00 -0.02 0.00 0.00 31.44 29.65 2o5w n GLU 110 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2o5w s ARG 111 N -3.05 1.10 0.14 3.49 1.70 -1.26 -5.13 118.95 115.95 2o5w s ARG 111 Ca 0.79 -0.68 -0.31 0.00 -0.47 0.00 0.00 55.73 55.06 2o5w s ARG 111 Cb -0.39 0.49 -0.08 0.00 -0.57 0.00 0.00 34.95 34.39 2o5w s ARG 111 CO 0.44 -0.44 1.41 -1.14 -1.08 0.00 0.00 175.30 174.49 2o5w s GLN 112 N -3.80 4.31 -0.11 3.89 2.00 -1.26 -5.02 119.66 119.68 2o5w s GLN 112 Ca 0.03 2.12 -0.02 0.00 -2.00 0.00 0.00 55.36 55.49 2o5w s GLN 112 Cb 0.01 -3.22 -0.03 0.00 0.80 0.00 0.00 33.01 30.57 2o5w s GLN 112 CO -0.12 -0.43 -0.02 0.42 -0.50 0.00 0.00 175.29 174.64 2o5w s ILE 113 N 0.91 4.10 -0.90 -2.34 -1.09 -1.26 -5.06 121.20 115.56 2o5w s ILE 113 Ca 0.64 -0.31 -0.16 0.00 -2.23 0.00 0.00 60.65 58.59 2o5w s ILE 113 Cb -0.38 -2.74 0.18 0.00 -1.58 0.00 0.00 42.46 37.94 2o5w s ILE 113 CO 0.32 0.56 0.97 -0.69 -1.23 0.00 0.00 174.94 174.87 2o5w s VAL 114 N -0.44 5.23 0.20 2.92 1.01 -1.26 -5.04 120.40 123.03 2o5w s VAL 114 Ca 0.07 -2.15 -0.29 0.00 0.00 0.00 0.00 61.98 59.62 2o5w s VAL 114 Cb -0.12 -4.63 -0.08 0.00 0.00 0.00 0.00 36.38 31.55 2o5w s VAL 114 CO 0.02 -1.27 0.90 0.72 0.00 0.00 0.00 175.10 175.47 2o5w s PHE 115 N 1.22 3.94 -0.11 5.22 -0.71 -1.26 -3.76 117.98 122.52 2o5w s PHE 115 Ca 0.26 1.82 -0.02 0.00 -1.04 0.00 0.00 56.93 57.95 2o5w s PHE 115 Cb -0.07 -2.93 -0.06 0.00 -1.21 0.00 0.00 43.02 38.74 2o5w s PHE 115 CO -0.09 0.44 -0.11 -2.37 -1.34 0.00 0.00 175.22 171.74 2o5w n THR 116 N 1.72 0.62 0.80 -4.49 5.66 -1.15 -4.76 114.28 112.68 2o5w n THR 116 Ca -0.02 -0.21 0.09 0.00 -3.05 0.00 0.00 64.05 60.86 2o5w n THR 116 Cb 0.48 -1.17 -0.00 0.00 -1.55 0.00 0.00 70.33 68.09 2o5w n THR 116 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2o5w n GLU 117 N -3.08 1.54 -4.28 1.09 1.02 -1.26 -4.99 120.64 110.69 2o5w n GLU 117 Ca -0.20 -0.89 -0.28 0.00 -0.02 0.00 0.00 57.16 55.76 2o5w n GLU 117 Cb 0.69 -1.34 -0.10 0.00 -0.02 0.00 0.00 31.44 30.67 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 -2.06 2.63 0.15 -0.32 3.76 -1.26 -4.17 115.29 114.03 2o5w s HIS 118 Ca 0.15 -0.22 -0.11 0.00 -0.15 0.00 0.00 55.06 54.73 2o5w s HIS 118 Cb 0.15 -1.34 0.01 0.00 1.11 0.00 0.00 32.58 32.51 2o5w s HIS 118 CO 0.45 0.46 1.57 -0.07 -0.85 0.00 0.00 174.74 176.30 2o5w h LEU 119 N 3.28 0.93 0.00 0.89 3.38 -0.98 -3.48 115.31 119.33 2o5w h LEU 119 Ca -0.48 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.08 2o5w h LEU 119 Cb 1.19 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2o5w h LEU 119 CO 0.52 1.06 0.09 0.00 0.09 0.00 0.00 178.44 180.20 2o5w n ALA 120 N -2.48 -0.81 -2.95 1.53 0.00 -1.25 -5.00 120.51 109.55 2o5w n ALA 120 Ca 0.01 -0.81 -0.11 0.00 0.00 0.00 0.00 53.44 52.53 2o5w n ALA 120 Cb 0.38 0.65 -0.06 0.00 0.00 0.00 0.00 19.45 20.42 2o5w n ALA 120 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2o5w s TYR 121 N -4.64 -0.13 0.07 0.00 1.13 -1.26 -1.54 117.35 110.98 2o5w s TYR 121 Ca 0.12 -0.11 0.01 0.00 -1.41 0.00 0.00 57.07 55.67 2o5w s TYR 121 Cb -0.02 0.16 -0.04 0.00 -1.10 0.00 0.00 41.96 40.96 2o5w s TYR 121 CO 0.09 -0.61 -0.05 0.15 -2.51 0.00 0.00 175.55 172.62 2o5w s LYS 122 N -3.29 0.67 -0.32 -3.49 1.02 0.07 -4.98 119.74 109.41 2o5w s LYS 122 Ca -0.00 -1.18 -0.09 0.00 0.02 0.00 0.00 55.97 54.72 2o5w s LYS 122 Cb 0.01 -0.02 0.01 0.00 -0.52 0.00 0.00 37.83 37.31 2o5w s LYS 122 CO -0.08 -0.05 0.15 -1.58 -0.92 0.00 0.00 175.35 172.87 2o5w s TRP 123 N -3.37 3.19 0.06 3.18 0.52 -1.26 -1.58 118.94 119.68 2o5w s TRP 123 Ca 0.06 -0.78 0.08 0.00 0.02 0.00 0.00 56.10 55.48 2o5w s TRP 123 Cb 0.04 -2.35 -0.03 0.00 -1.15 0.00 0.00 33.47 29.97 2o5w s TRP 123 CO -0.06 -0.54 -0.21 -0.51 0.02 0.00 0.00 176.95 175.65 2o5w s LEU 124 N 1.57 2.47 0.57 2.99 1.43 -0.53 -4.86 118.68 122.31 2o5w s LEU 124 Ca 0.03 -0.52 -0.20 0.00 -1.03 0.00 0.00 54.13 52.41 2o5w s LEU 124 Cb -0.18 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 2o5w s LEU 124 CO 0.05 0.24 1.13 -0.90 0.23 0.00 0.00 176.35 177.10 2o5w n ASP 125 N 1.45 1.58 0.07 2.29 5.68 -1.26 0.16 116.55 126.52 2o5w n ASP 125 Ca -0.16 0.89 -0.11 0.00 -0.50 0.00 0.00 54.79 54.90 2o5w n ASP 125 Cb 0.52 -1.46 -0.05 0.00 -1.14 0.00 0.00 41.12 38.99 2o5w n ASP 125 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2o5w h ALA 126 N 0.92 -0.21 -1.00 2.12 0.00 -1.94 -2.15 119.26 117.00 2o5w h ALA 126 Ca -0.49 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 54.60 2o5w h ALA 126 Cb 1.34 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 19.29 2o5w h ALA 126 CO 0.54 -0.66 0.61 -1.35 0.00 0.00 0.00 179.25 178.39 2o5w h PRO 127 N -0.28 0.71 -0.26 0.00 0.11 -1.96 0.43 132.00 130.76 2o5w h PRO 127 Ca 0.04 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.98 2o5w h PRO 127 Cb 0.32 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.27 2o5w h PRO 127 CO -0.13 0.47 -0.33 0.00 -0.21 0.00 0.00 178.00 177.81 2o5w h ALA 128 N 1.63 0.39 -0.38 -0.75 0.00 -1.85 -1.29 119.26 117.01 2o5w h ALA 128 Ca 0.56 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2o5w h ALA 128 Cb 0.92 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2o5w h ALA 128 CO -0.35 0.43 0.23 0.00 0.00 0.00 0.00 179.25 179.57 2o5w h ALA 129 N 0.67 0.49 -0.12 0.00 0.00 -0.64 -0.52 119.26 119.14 2o5w h ALA 129 Ca 0.03 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2o5w h ALA 129 Cb 0.91 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2o5w h ALA 129 CO 0.08 -0.02 -0.19 0.00 0.00 0.00 0.00 179.25 179.12 2o5w h ALA 130 N 1.10 1.47 0.00 0.00 0.00 -0.08 -2.07 119.26 119.68 2o5w h ALA 130 Ca 0.14 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 2o5w h ALA 130 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2o5w h ALA 130 CO -0.03 0.38 -0.72 0.00 0.00 0.00 0.00 179.25 178.88 2o5w h ALA 131 N 1.63 0.67 0.14 0.00 0.00 -1.05 -3.36 119.26 117.29 2o5w h ALA 131 Ca 0.03 -0.51 -0.31 0.00 0.00 0.00 0.00 54.91 54.13 2o5w h ALA 131 Cb 0.45 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.28 2o5w h ALA 131 CO 0.03 0.64 -1.29 1.25 0.00 0.00 0.00 179.25 179.88 2o5w h LEU 132 N 0.00 0.88 -9.92 0.00 5.85 -0.44 -3.46 115.31 108.22 2o5w h LEU 132 Ca -0.04 -0.83 -0.53 0.00 0.84 0.00 0.00 57.88 57.32 2o5w h LEU 132 Cb 1.40 -0.28 0.09 0.00 0.37 0.00 0.00 40.66 42.24 2o5w h LEU 132 CO 0.05 1.63 0.69 0.28 -0.34 0.00 0.00 178.44 180.75 2o5w s THR 133 N -2.92 2.43 -0.14 1.05 -1.32 -0.84 -4.57 115.64 109.32 2o5w s THR 133 Ca -0.09 0.42 0.25 0.00 -1.21 0.00 0.00 61.69 61.05 2o5w s THR 133 Cb 0.05 -3.26 0.29 0.00 -1.51 0.00 0.00 72.50 68.07 2o5w s THR 133 CO 0.94 0.09 1.72 0.11 -2.21 0.00 0.00 174.62 175.27 2o5w h LYS 134 N 3.07 0.00 -5.95 7.08 1.57 -1.86 -3.45 116.57 117.03 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 1.24 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.46 2o5w h LYS 134 CO 0.64 0.12 0.56 0.45 -0.57 0.00 0.00 179.45 180.65 2o5w s SER 135 N -6.11 6.78 0.40 0.86 0.15 -1.26 -4.93 113.70 109.58 2o5w s SER 135 Ca 0.04 0.83 0.07 0.00 0.70 0.00 0.00 55.95 57.60 2o5w s SER 135 Cb 0.07 -2.46 0.81 0.00 -1.71 0.00 0.00 66.02 62.74 2o5w s SER 135 CO 0.64 -0.69 2.00 4.11 1.20 0.00 0.00 173.24 180.50 2o5w h TRP 136 N 8.05 0.44 -0.04 3.44 5.08 -1.98 -0.48 115.95 130.47 2o5w h TRP 136 Ca -0.23 -0.01 -0.02 0.00 1.08 0.00 0.00 58.89 59.71 2o5w h TRP 136 Cb 1.08 -0.14 0.00 0.00 -3.00 0.00 0.00 29.16 27.10 2o5w h TRP 136 CO 0.79 0.36 -0.07 0.66 -1.28 0.00 0.00 178.44 178.90 2o5w h SER 137 N 0.45 0.12 -0.86 0.11 4.64 -1.99 -2.15 113.55 113.87 2o5w h SER 137 Ca 0.11 -0.56 0.11 0.00 -0.47 0.00 0.00 61.79 60.98 2o5w h SER 137 Cb 0.11 -0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 62.08 2o5w h SER 137 CO -0.01 0.66 0.50 -1.13 -0.87 0.00 0.00 176.83 175.97 2o5w h ASN 138 N -0.41 0.70 -0.53 4.97 -0.00 -1.93 0.15 115.58 118.53 2o5w h ASN 138 Ca 0.00 0.05 0.06 0.00 -0.00 0.00 0.00 56.30 56.41 2o5w h ASN 138 Cb 0.64 -0.08 -0.05 0.00 -0.00 0.00 0.00 38.32 38.83 2o5w h ASN 138 CO 0.02 0.38 0.24 -0.09 -0.00 0.00 0.00 177.43 177.98 2o5w h ARG 139 N 0.81 0.44 -0.17 6.67 2.43 -1.05 -2.10 114.38 121.41 2o5w h ARG 139 Ca 0.42 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 59.37 2o5w h ARG 139 Cb 0.42 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2o5w h ARG 139 CO -0.26 0.29 -0.68 0.37 -1.51 0.00 0.00 179.97 178.18 2o5w h GLN 140 N 0.46 0.68 -0.99 0.20 4.15 -0.45 -1.62 115.11 117.54 2o5w h GLN 140 Ca 0.24 -0.50 0.04 0.00 0.77 0.00 0.00 58.65 59.20 2o5w h GLN 140 Cb 0.20 0.09 -0.06 0.00 0.21 0.00 0.00 27.48 27.92 2o5w h GLN 140 CO -0.20 1.12 0.65 0.00 -1.93 0.00 0.00 178.83 178.47 2o5w h ALA 141 N 0.75 1.33 -0.05 3.38 0.00 -0.62 -0.16 119.26 123.89 2o5w h ALA 141 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2o5w h ALA 141 Cb 1.27 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2o5w h ALA 141 CO 0.13 0.52 -0.01 0.82 0.00 0.00 0.00 179.25 180.71 2o5w h ILE 142 N 1.24 1.29 -0.77 0.00 2.04 -1.19 -1.12 117.51 119.00 2o5w h ILE 142 Ca 0.40 -0.90 0.03 0.00 1.00 0.00 0.00 64.86 65.39 2o5w h ILE 142 Cb 0.03 1.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 2o5w h ILE 142 CO -0.13 0.25 0.49 -0.33 0.00 0.00 0.00 178.15 178.42 2o5w h GLU 143 N -0.25 0.92 0.04 2.37 5.08 -0.90 0.29 114.58 122.13 2o5w h GLU 143 Ca 0.01 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 2o5w h GLU 143 Cb 0.40 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.45 2o5w h GLU 143 CO 0.00 0.61 -0.48 1.96 -1.00 0.00 0.00 179.01 180.10 2o5w h GLN 144 N 0.95 0.25 -0.02 2.33 4.20 -1.09 -1.79 115.11 119.94 2o5w h GLN 144 Ca 0.31 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2o5w h GLN 144 Cb 0.02 0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2o5w h GLN 144 CO -0.11 1.07 -0.45 1.19 -0.67 0.00 0.00 178.83 179.86 2o5w n PHE 145 N -4.33 0.00 0.05 2.96 3.72 -0.42 -3.35 117.46 116.08 2o5w n PHE 145 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 2o5w n PHE 145 Cb 0.64 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 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 -0.01 0.94 0.08 -4.37 0.31 0.03 -4.61 118.33 110.70 2o5w n VAL 146 Ca 0.10 0.31 -0.13 0.00 -0.01 0.00 0.00 64.34 64.61 2o5w n VAL 146 Cb 0.47 -1.47 -0.08 0.00 -0.91 0.00 0.00 33.84 31.84 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 0.00 0.97 -0.00 2.52 2.04 -1.42 -3.25 117.51 118.37 2o5w h ILE 147 Ca 0.00 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2o5w h ILE 147 Cb 0.15 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2o5w h ILE 147 CO 0.00 0.06 -0.46 0.59 0.00 0.00 0.00 178.15 178.34 2o5w n ASN 148 N -5.09 0.61 0.00 1.72 3.02 -0.67 -5.04 115.26 109.80 2o5w n ASN 148 Ca -0.08 -0.39 0.15 0.00 -0.03 0.00 0.00 54.58 54.23 2o5w n ASN 148 Cb 0.12 0.24 0.91 0.00 -0.61 0.00 0.00 39.78 40.45 2o5w n ASN 148 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64