#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o5w s ARG 8 N 0.00 4.25 -0.10 1.64 3.03 -1.26 -4.53 118.95 121.98 2o5w s ARG 8 Ca 0.00 0.42 -0.01 0.00 2.03 0.00 0.00 55.73 58.17 2o5w s ARG 8 Cb 0.00 -3.51 0.03 0.00 -1.03 0.00 0.00 34.95 30.44 2o5w s ARG 8 CO 0.00 -0.02 2.21 -0.35 -1.13 0.00 0.00 175.30 176.01 2o5w n PRO 9 N 4.32 1.36 -3.85 3.89 -0.04 -1.26 -4.74 135.00 134.68 2o5w n PRO 9 Ca -0.06 -0.58 -0.22 0.00 -0.04 0.00 0.00 63.50 62.60 2o5w n PRO 9 Cb 0.51 -1.30 -0.17 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.54 0.37 0.09 0.52 1.01 -1.26 -1.15 120.40 119.43 2o5w s VAL 10 Ca 0.17 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 2o5w s VAL 10 Cb 0.11 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 2o5w s VAL 10 CO -0.01 0.24 0.01 -0.94 0.00 0.00 0.00 175.10 174.40 2o5w s SER 11 N 1.71 0.41 0.43 3.32 1.04 0.70 -1.82 113.70 119.49 2o5w s SER 11 Ca 0.01 -1.10 0.07 0.00 0.48 0.00 0.00 55.95 55.42 2o5w s SER 11 Cb -0.13 0.24 -0.02 0.00 0.10 0.00 0.00 66.02 66.21 2o5w s SER 11 CO -0.04 -0.66 0.34 0.27 0.98 0.00 0.00 173.24 174.13 2o5w s ILE 12 N -3.98 2.48 -0.09 -1.02 -5.25 0.11 -1.49 121.20 111.96 2o5w s ILE 12 Ca 0.15 -1.44 -0.04 0.00 -0.99 0.00 0.00 60.65 58.33 2o5w s ILE 12 Cb 0.08 -2.92 0.05 0.00 2.95 0.00 0.00 42.46 42.62 2o5w s ILE 12 CO -0.05 0.00 0.18 -0.22 -1.79 0.00 0.00 174.94 173.07 2o5w s LEU 13 N -4.09 0.11 -0.33 0.37 2.96 0.10 -3.60 118.68 114.20 2o5w s LEU 13 Ca 0.45 0.39 0.04 0.00 -0.22 0.00 0.00 54.13 54.79 2o5w s LEU 13 Cb -0.01 0.42 0.09 0.00 0.50 0.00 0.00 46.19 47.19 2o5w s LEU 13 CO 0.26 -0.21 0.02 -0.69 -1.32 0.00 0.00 176.35 174.41 2o5w s VAL 14 N 1.96 2.29 -0.83 1.68 1.01 0.30 0.24 120.40 127.04 2o5w s VAL 14 Ca -0.01 -2.21 -0.22 0.00 0.00 0.00 0.00 61.98 59.54 2o5w s VAL 14 Cb -0.12 -2.63 0.08 0.00 0.00 0.00 0.00 36.38 33.71 2o5w s VAL 14 CO -0.07 -0.49 1.16 -0.69 0.00 0.00 0.00 175.10 175.01 2o5w s VAL 15 N 0.95 4.28 0.03 2.92 1.01 -0.74 -2.74 120.40 126.11 2o5w s VAL 15 Ca 0.07 -0.71 -0.26 0.00 0.00 0.00 0.00 61.98 61.08 2o5w s VAL 15 Cb -0.19 -4.82 -0.05 0.00 0.00 0.00 0.00 36.38 31.32 2o5w s VAL 15 CO -0.07 -1.63 0.80 -0.63 0.00 0.00 0.00 175.10 173.57 2o5w s ILE 16 N 4.05 4.78 0.06 2.22 1.01 -1.26 -2.58 121.20 129.48 2o5w s ILE 16 Ca 0.32 1.69 -0.13 0.00 0.00 0.00 0.00 60.65 62.52 2o5w s ILE 16 Cb -0.09 -4.14 0.02 0.00 0.01 0.00 0.00 42.46 38.26 2o5w s ILE 16 CO 0.01 0.32 0.30 -0.72 0.00 0.00 0.00 174.94 174.85 2o5w s TYR 17 N 0.22 -0.09 0.13 3.97 1.13 -0.11 -1.69 117.35 120.92 2o5w s TYR 17 Ca 0.41 -0.11 -0.20 0.00 -1.41 0.00 0.00 57.07 55.75 2o5w s TYR 17 Cb -0.20 0.10 -0.07 0.00 -1.10 0.00 0.00 41.96 40.68 2o5w s TYR 17 CO 0.23 -0.53 0.65 0.00 -2.51 0.00 0.00 175.55 173.39 2o5w s ALA 18 N -2.87 3.52 0.01 9.51 0.00 -0.78 0.31 121.76 131.46 2o5w s ALA 18 Ca -0.03 0.12 -0.19 0.00 0.00 0.00 0.00 51.96 51.87 2o5w s ALA 18 Cb 0.00 -2.74 -0.24 0.00 0.00 0.00 0.00 23.12 20.15 2o5w s ALA 18 CO -0.05 0.37 1.11 1.96 0.00 0.00 0.00 175.76 179.14 2o5w h GLN 19 N 4.17 0.45 0.19 0.00 4.20 -0.43 -2.39 115.11 121.30 2o5w h GLN 19 Ca -0.49 -0.49 -0.01 0.00 0.06 0.00 0.00 58.65 57.73 2o5w h GLN 19 Cb 1.21 0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.13 2o5w h GLN 19 CO 0.65 1.14 -0.09 0.38 -0.67 0.00 0.00 178.83 180.24 2o5w h ASP 20 N -0.04 -0.21 1.09 1.46 2.03 -1.81 -3.32 116.42 115.62 2o5w h ASP 20 Ca -0.08 -0.32 -0.04 0.00 -0.73 0.00 0.00 57.03 55.86 2o5w h ASP 20 Cb 1.38 0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 39.92 2o5w h ASP 20 CO 0.13 0.31 -0.19 0.71 -1.03 0.00 0.00 179.24 179.17 2o5w h THR 21 N -0.86 0.44 -1.73 1.15 1.35 -1.89 -3.47 112.91 107.91 2o5w h THR 21 Ca -0.03 -1.11 -0.39 0.00 -0.55 0.00 0.00 66.41 64.33 2o5w h THR 21 Cb 0.52 1.81 -0.10 0.00 -1.73 0.00 0.00 68.15 68.65 2o5w h THR 21 CO 0.04 0.19 -0.42 0.29 -0.25 0.00 0.00 175.52 175.37 2o5w n LYS 22 N -3.30 -1.44 -2.84 4.72 4.76 -0.90 -4.97 118.16 114.19 2o5w n LYS 22 Ca 0.01 1.08 -0.24 0.00 -2.87 0.00 0.00 58.31 56.29 2o5w n LYS 22 Cb 0.45 -5.52 0.02 0.00 -1.84 0.00 0.00 35.03 28.14 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 -4.22 3.01 -0.04 1.97 0.52 -1.25 -3.71 118.95 115.23 2o5w s ARG 23 Ca 0.00 -0.40 0.06 0.00 -0.52 0.00 0.00 55.73 54.87 2o5w s ARG 23 Cb 0.00 -2.50 -0.01 0.00 0.52 0.00 0.00 34.95 32.96 2o5w s ARG 23 CO 0.00 -0.38 -0.23 0.08 0.02 0.00 0.00 175.30 174.79 2o5w s VAL 24 N -2.65 1.90 -0.31 3.52 1.01 0.25 -1.87 120.40 122.25 2o5w s VAL 24 Ca 0.50 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.19 2o5w s VAL 24 Cb -0.10 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.68 2o5w s VAL 24 CO 0.39 0.53 1.24 -0.22 0.00 0.00 0.00 175.10 177.04 2o5w s LEU 25 N -0.27 3.89 -0.04 3.92 2.96 -0.68 -1.40 118.68 127.07 2o5w s LEU 25 Ca 0.01 1.15 0.02 0.00 -0.22 0.00 0.00 54.13 55.09 2o5w s LEU 25 Cb -0.12 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 2o5w s LEU 25 CO 0.02 -1.02 -0.08 -0.04 -1.32 0.00 0.00 176.35 173.91 2o5w s MET 26 N 4.02 2.65 -0.13 1.98 -1.94 -0.41 -4.47 119.30 121.00 2o5w s MET 26 Ca 0.53 -0.63 0.02 0.00 -1.71 0.00 0.00 55.69 53.90 2o5w s MET 26 Cb -0.15 -2.53 0.02 0.00 2.01 0.00 0.00 34.83 34.17 2o5w s MET 26 CO 0.21 0.64 -0.17 -0.51 -0.01 0.00 0.00 175.02 175.18 2o5w s LEU 27 N -1.04 1.84 0.04 -0.03 1.43 0.89 -1.84 118.68 119.97 2o5w s LEU 27 Ca 0.14 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.44 2o5w s LEU 27 Cb -0.11 -1.23 -0.06 0.00 0.03 0.00 0.00 46.19 44.83 2o5w s LEU 27 CO 0.04 0.02 1.28 -1.58 0.23 0.00 0.00 176.35 176.33 2o5w s GLN 28 N 1.06 4.36 0.62 1.70 0.74 -0.89 -1.21 119.66 126.05 2o5w s GLN 28 Ca -0.04 1.85 -0.14 0.00 0.05 0.00 0.00 55.36 57.09 2o5w s GLN 28 Cb -0.15 -3.42 -0.03 0.00 1.10 0.00 0.00 33.01 30.52 2o5w s GLN 28 CO -0.04 -0.39 1.05 1.03 -0.55 0.00 0.00 175.29 176.38 2o5w s ARG 29 N 1.58 3.28 -0.16 1.67 0.52 -0.28 -2.23 118.95 123.33 2o5w s ARG 29 Ca 0.60 1.04 -0.23 0.00 -0.52 0.00 0.00 55.73 56.63 2o5w s ARG 29 Cb -0.30 -2.03 -0.24 0.00 0.52 0.00 0.00 34.95 32.90 2o5w s ARG 29 CO 0.27 -0.83 0.51 -0.09 0.02 0.00 0.00 175.30 175.18 2o5w h ARG 30 N 0.01 0.06 -0.08 3.54 2.43 -1.91 -3.27 114.38 115.15 2o5w h ARG 30 Ca -0.45 -0.10 -0.13 0.00 -0.81 0.00 0.00 59.98 58.49 2o5w h ARG 30 Cb 1.21 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 2o5w h ARG 30 CO 0.58 1.05 -0.52 0.38 -1.51 0.00 0.00 179.97 179.95 2o5w h ASP 31 N -0.84 0.25 -2.95 -3.80 3.04 -1.95 -3.40 116.42 106.78 2o5w h ASP 31 Ca -0.20 -0.13 -0.54 0.00 -3.24 0.00 0.00 57.03 52.92 2o5w h ASP 31 Cb 1.30 -0.07 -0.40 0.00 -1.04 0.00 0.00 39.33 39.11 2o5w h ASP 31 CO -0.07 0.73 -0.77 -0.62 -2.04 0.00 0.00 179.24 176.47 2o5w s ASP 32 N -6.89 3.51 0.01 4.15 2.15 -1.26 -5.02 116.67 113.32 2o5w s ASP 32 Ca -0.04 -1.28 0.12 0.00 0.43 0.00 0.00 52.55 51.78 2o5w s ASP 32 Cb 0.13 -0.49 0.50 0.00 -0.30 0.00 0.00 42.92 42.76 2o5w s ASP 32 CO 0.79 -0.41 1.37 -2.65 -0.17 0.00 0.00 175.17 174.09 2o5w n PRO 33 N 5.13 0.01 0.10 4.34 -0.02 -1.23 -1.71 135.00 141.62 2o5w n PRO 33 Ca -0.05 0.31 -0.14 0.00 -2.02 0.00 0.00 63.50 61.59 2o5w n PRO 33 Cb 0.43 -1.51 -0.12 0.00 -0.02 0.00 0.00 33.50 32.28 2o5w n PRO 33 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2o5w h ASP 34 N 0.00 0.39 -2.64 2.55 3.32 -1.95 -3.44 116.42 114.65 2o5w h ASP 34 Ca 0.00 -0.40 -0.56 0.00 0.02 0.00 0.00 57.03 56.09 2o5w h ASP 34 Cb 0.20 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 2o5w h ASP 34 CO 0.00 1.29 1.27 0.12 -1.72 0.00 0.00 179.24 180.19 2o5w s PHE 35 N -2.76 1.85 -0.10 4.55 2.19 -0.69 -4.87 117.98 118.15 2o5w s PHE 35 Ca -0.04 0.66 -0.02 0.00 0.33 0.00 0.00 56.93 57.86 2o5w s PHE 35 Cb 0.08 -4.14 -0.03 0.00 -1.31 0.00 0.00 43.02 37.61 2o5w s PHE 35 CO 0.87 -2.76 -0.01 -1.58 1.83 0.00 0.00 175.22 173.58 2o5w s TRP 36 N 7.04 3.13 0.12 10.12 0.52 -1.26 -1.13 118.94 137.49 2o5w s TRP 36 Ca 0.76 0.12 -0.25 0.00 0.02 0.00 0.00 56.10 56.76 2o5w s TRP 36 Cb -0.20 -1.81 0.07 0.00 -1.15 0.00 0.00 33.47 30.38 2o5w s TRP 36 CO 0.32 0.39 0.62 1.14 0.02 0.00 0.00 176.95 179.44 2o5w s GLN 37 N -0.69 1.23 0.99 4.98 -2.07 -0.35 -4.25 119.66 119.51 2o5w s GLN 37 Ca 0.11 -0.33 -0.16 0.00 -1.82 0.00 0.00 55.36 53.15 2o5w s GLN 37 Cb -0.12 0.57 0.21 0.00 -1.09 0.00 0.00 33.01 32.58 2o5w s GLN 37 CO 0.02 -0.51 1.30 -1.12 -1.32 0.00 0.00 175.29 173.66 2o5w s SER 38 N -2.46 2.86 0.10 12.60 0.01 -1.26 -0.08 113.70 125.47 2o5w s SER 38 Ca -0.01 0.30 -0.31 0.00 1.31 0.00 0.00 55.95 57.24 2o5w s SER 38 Cb -0.01 -0.36 -0.09 0.00 0.21 0.00 0.00 66.02 65.77 2o5w s SER 38 CO -0.09 -2.89 1.67 -0.69 0.41 0.00 0.00 173.24 171.65 2o5w s VAL 39 N -3.80 2.85 0.10 3.43 1.01 -1.11 -4.87 120.40 118.02 2o5w s VAL 39 Ca 0.74 0.40 0.03 0.00 0.00 0.00 0.00 61.98 63.14 2o5w s VAL 39 Cb -0.04 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 2o5w s VAL 39 CO 0.53 0.01 -0.08 0.42 0.00 0.00 0.00 175.10 175.98 2o5w s THR 40 N 2.34 0.83 0.00 3.92 -4.23 -1.26 -0.54 115.64 116.70 2o5w s THR 40 Ca 0.74 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 2o5w s THR 40 Cb -0.42 -1.59 0.00 0.00 1.34 0.00 0.00 72.50 71.83 2o5w s THR 40 CO 0.33 -0.76 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 2o5w n GLY 41 N 0.13 0.64 3.95 3.99 0.00 -1.24 -5.01 105.19 107.65 2o5w n GLY 41 Ca -0.13 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 2o5w n GLY 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2o5w s SER 42 N 0.00 5.94 -0.19 1.61 1.04 -1.26 0.06 113.70 120.90 2o5w s SER 42 Ca 0.00 0.30 -0.21 0.00 0.48 0.00 0.00 55.95 56.52 2o5w s SER 42 Cb 0.00 -1.63 -0.03 0.00 0.10 0.00 0.00 66.02 64.47 2o5w s SER 42 CO 0.00 -0.60 0.64 -0.69 0.98 0.00 0.00 173.24 173.56 2o5w s VAL 43 N -2.49 5.02 1.09 5.02 1.01 -0.76 -4.81 120.40 124.49 2o5w s VAL 43 Ca 0.46 1.21 -0.18 0.00 0.00 0.00 0.00 61.98 63.47 2o5w s VAL 43 Cb -0.10 -3.95 0.25 0.00 0.00 0.00 0.00 36.38 32.58 2o5w s VAL 43 CO 0.37 0.12 1.21 -1.61 0.00 0.00 0.00 175.10 175.19 2o5w s GLU 44 N 1.85 -0.39 0.22 2.72 2.02 -1.26 -4.93 118.70 118.93 2o5w s GLU 44 Ca 0.29 -0.25 -0.30 0.00 0.02 0.00 0.00 54.97 54.74 2o5w s GLU 44 Cb -0.16 -1.71 -0.09 0.00 0.10 0.00 0.00 34.13 32.27 2o5w s GLU 44 CO 0.11 -3.13 1.23 -2.00 0.02 0.00 0.00 175.26 171.49 2o5w s GLU 45 N -5.65 4.46 0.00 1.61 2.56 -1.26 -3.41 118.70 117.01 2o5w s GLU 45 Ca 0.73 1.97 0.00 0.00 0.00 0.00 0.00 54.97 57.66 2o5w s GLU 45 Cb -0.07 -3.20 0.00 0.00 2.00 0.00 0.00 34.13 32.87 2o5w s GLU 45 CO 0.55 -0.11 0.00 0.41 -0.56 0.00 0.00 175.26 175.55 2o5w n GLY 46 N 1.92 2.13 3.83 -1.50 0.00 -1.26 -5.00 105.19 105.31 2o5w n GLY 46 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 2o5w n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2o5w s GLU 47 N -0.03 4.03 0.80 1.61 2.02 -1.22 -5.11 118.70 120.80 2o5w s GLU 47 Ca 0.00 0.54 -0.09 0.00 0.02 0.00 0.00 54.97 55.44 2o5w s GLU 47 Cb 0.00 -3.20 0.12 0.00 0.10 0.00 0.00 34.13 31.15 2o5w s GLU 47 CO 0.00 0.66 1.13 0.95 0.02 0.00 0.00 175.26 178.01 2o5w s THR 48 N -1.12 2.13 0.06 3.63 -4.23 -1.26 -4.72 115.64 110.12 2o5w s THR 48 Ca 0.27 -0.22 -0.24 0.00 -1.18 0.00 0.00 61.69 60.32 2o5w s THR 48 Cb -0.18 -2.91 -0.16 0.00 1.34 0.00 0.00 72.50 70.60 2o5w s THR 48 CO 0.16 0.00 1.62 0.00 -0.54 0.00 0.00 174.62 175.86 2o5w h ALA 49 N -0.98 -0.02 0.00 3.99 0.00 -1.98 0.77 119.26 121.04 2o5w h ALA 49 Ca -0.43 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 2o5w h ALA 49 Cb 1.28 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2o5w h ALA 49 CO 0.49 -0.45 -0.15 -1.35 0.00 0.00 0.00 179.25 177.79 2o5w h PRO 50 N -0.14 0.00 -0.32 0.00 0.11 -1.99 0.13 132.00 129.80 2o5w h PRO 50 Ca -0.00 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.95 2o5w h PRO 50 Cb 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 2o5w h PRO 50 CO 0.00 0.15 -0.43 1.96 -0.21 0.00 0.00 178.00 179.47 2o5w h GLN 51 N 0.00 0.80 -0.36 1.05 4.20 -1.90 -1.17 115.11 117.73 2o5w h GLN 51 Ca -0.00 -0.44 -0.06 0.00 0.06 0.00 0.00 58.65 58.21 2o5w h GLN 51 Cb 0.55 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 2o5w h GLN 51 CO 0.02 1.07 0.01 0.00 -0.67 0.00 0.00 178.83 179.26 2o5w h ALA 52 N 0.86 0.49 0.30 3.87 0.00 -0.26 -2.77 119.26 121.75 2o5w h ALA 52 Ca 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2o5w h ALA 52 Cb 1.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2o5w h ALA 52 CO 0.10 0.25 -0.21 0.00 0.00 0.00 0.00 179.25 179.39 2o5w h ALA 53 N 0.87 -0.49 -0.88 0.00 0.00 -0.72 -0.50 119.26 117.54 2o5w h ALA 53 Ca 0.10 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.07 2o5w h ALA 53 Cb 0.45 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 2o5w h ALA 53 CO 0.02 -0.79 0.57 0.52 0.00 0.00 0.00 179.25 179.56 2o5w h MET 54 N -0.50 0.65 -0.06 0.00 2.07 -1.25 -0.50 114.93 115.33 2o5w h MET 54 Ca -0.03 -0.04 -0.20 0.00 -2.07 0.00 0.00 59.70 57.37 2o5w h MET 54 Cb 0.43 -0.15 0.01 0.00 -1.87 0.00 0.00 31.60 30.03 2o5w h MET 54 CO 0.01 0.43 -0.74 -0.09 1.07 0.00 0.00 176.91 177.59 2o5w h ARG 55 N 0.67 0.60 -0.50 1.72 2.43 -1.35 -3.14 114.38 114.82 2o5w h ARG 55 Ca 0.44 -0.57 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 2o5w h ARG 55 Cb 0.73 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 2o5w h ARG 55 CO -0.20 1.19 0.19 0.93 -1.51 0.00 0.00 179.97 180.57 2o5w h GLU 56 N 0.22 0.75 -0.64 0.20 4.39 -0.31 -0.75 114.58 118.44 2o5w h GLU 56 Ca -0.08 -0.14 0.01 0.00 0.34 0.00 0.00 59.36 59.49 2o5w h GLU 56 Cb 1.40 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.90 2o5w h GLU 56 CO 0.15 0.68 0.42 0.28 -1.16 0.00 0.00 179.01 179.38 2o5w h VAL 57 N 0.66 1.15 0.06 3.13 2.07 -1.22 0.80 116.25 122.90 2o5w h VAL 57 Ca 0.16 -0.29 -0.19 0.00 0.82 0.00 0.00 66.70 67.21 2o5w h VAL 57 Cb 0.21 0.23 0.02 0.00 -1.52 0.00 0.00 31.29 30.23 2o5w h VAL 57 CO -0.01 0.16 -0.77 0.50 0.02 0.00 0.00 177.57 177.47 2o5w h LYS 58 N 0.85 0.42 0.05 1.57 3.64 -1.46 -2.31 116.57 119.32 2o5w h LYS 58 Ca 0.24 -0.53 -0.00 0.00 -1.27 0.00 0.00 60.65 59.09 2o5w h LYS 58 Cb -0.08 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2o5w h LYS 58 CO -0.05 1.19 -0.02 0.93 -2.27 0.00 0.00 179.45 179.22 2o5w h GLU 59 N -0.11 -0.06 0.20 1.90 5.08 -0.77 -2.75 114.58 118.07 2o5w h GLU 59 Ca -0.11 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.93 2o5w h GLU 59 Cb 1.50 0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.79 2o5w h GLU 59 CO 0.15 0.07 -1.46 0.93 -1.00 0.00 0.00 179.01 177.70 2o5w h GLU 60 N -0.18 0.42 0.00 2.33 5.08 0.52 -3.40 114.58 119.34 2o5w h GLU 60 Ca -0.01 -0.71 -0.02 0.00 -1.00 0.00 0.00 59.36 57.62 2o5w h GLU 60 Cb 0.16 0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 2o5w h GLU 60 CO 0.01 1.33 -0.36 1.33 -1.00 0.00 0.00 179.01 180.32 2o5w n VAL 61 N -3.62 0.97 -3.91 3.13 0.24 -0.88 -2.95 118.33 111.30 2o5w n VAL 61 Ca -0.15 -1.33 -0.25 0.00 -2.04 0.00 0.00 64.34 60.57 2o5w n VAL 61 Cb 1.07 0.19 -0.01 0.00 -1.47 0.00 0.00 33.84 33.62 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 -0.63 -3.29 -4.26 3.34 -1.04 -1.03 -4.30 114.28 103.07 2o5w n THR 62 Ca 0.09 -0.51 -0.30 0.00 -2.04 0.00 0.00 64.05 61.30 2o5w n THR 62 Cb 0.72 -2.83 -0.17 0.00 -1.82 0.00 0.00 70.33 66.24 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 -3.92 1.60 -0.88 12.58 1.01 -1.19 -4.88 121.20 125.53 2o5w s ILE 63 Ca 0.01 -0.68 -0.16 0.00 0.00 0.00 0.00 60.65 59.82 2o5w s ILE 63 Cb -0.00 -1.47 0.18 0.00 0.01 0.00 0.00 42.46 41.18 2o5w s ILE 63 CO 0.88 0.46 0.93 -0.62 0.00 0.00 0.00 174.94 176.59 2o5w s ASP 64 N 1.21 6.73 0.34 3.58 2.15 -1.26 -3.30 116.67 126.11 2o5w s ASP 64 Ca -0.01 -2.46 0.12 0.00 0.43 0.00 0.00 52.55 50.63 2o5w s ASP 64 Cb -0.14 -2.29 0.93 0.00 -0.30 0.00 0.00 42.92 41.12 2o5w s ASP 64 CO -0.06 -0.76 1.75 0.58 -0.17 0.00 0.00 175.17 176.50 2o5w h VAL 65 N 5.17 0.55 0.21 1.11 2.07 -1.92 -0.74 116.25 122.71 2o5w h VAL 65 Ca 0.13 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2o5w h VAL 65 Cb 1.03 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2o5w h VAL 65 CO 0.91 0.10 -0.10 0.58 0.02 0.00 0.00 177.57 179.08 2o5w h VAL 66 N 0.55 0.86 -0.50 2.57 2.07 -1.90 0.26 116.25 120.17 2o5w h VAL 66 Ca 0.62 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.73 2o5w h VAL 66 Cb 1.27 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 2o5w h VAL 66 CO -0.42 0.08 0.14 0.00 0.02 0.00 0.00 177.57 177.40 2o5w h ALA 67 N 0.28 0.65 -0.10 1.67 0.00 -1.71 -2.80 119.26 117.26 2o5w h ALA 67 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2o5w h ALA 67 Cb 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2o5w h ALA 67 CO 0.05 0.32 0.00 0.39 0.00 0.00 0.00 179.25 180.01 2o5w n GLU 68 N -4.49 1.52 -2.96 0.00 1.02 -0.38 -4.86 120.64 110.49 2o5w n GLU 68 Ca 0.01 -0.49 -0.14 0.00 -0.02 0.00 0.00 57.16 56.53 2o5w n GLU 68 Cb 0.20 -1.45 -0.01 0.00 -0.02 0.00 0.00 31.44 30.16 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 0.02 -2.63 -2.35 3.49 6.02 -1.06 -4.91 117.38 115.96 2o5w n GLN 69 Ca 0.04 0.27 -0.32 0.00 -0.01 0.00 0.00 57.00 56.98 2o5w n GLN 69 Cb 0.31 -4.85 -0.03 0.00 1.02 0.00 0.00 30.24 26.68 2o5w n GLN 69 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2o5w s LEU 70 N -5.80 3.59 -0.48 1.08 1.43 0.06 -5.03 118.68 113.54 2o5w s LEU 70 Ca 0.21 1.56 -0.14 0.00 -1.03 0.00 0.00 54.13 54.73 2o5w s LEU 70 Cb -0.12 -4.51 0.09 0.00 0.03 0.00 0.00 46.19 41.69 2o5w s LEU 70 CO 0.25 -0.61 0.40 -0.89 0.23 0.00 0.00 176.35 175.73 2o5w s THR 71 N -2.67 4.98 -0.65 5.49 2.01 -1.26 -4.73 115.64 118.82 2o5w s THR 71 Ca 0.59 -1.29 -0.25 0.00 0.31 0.00 0.00 61.69 61.04 2o5w s THR 71 Cb -0.10 -4.07 0.04 0.00 0.01 0.00 0.00 72.50 68.38 2o5w s THR 71 CO 0.33 -0.66 1.10 -0.22 -0.69 0.00 0.00 174.62 174.48 2o5w s LEU 72 N 1.57 3.76 -0.14 4.42 2.96 -1.26 -4.59 118.68 125.40 2o5w s LEU 72 Ca 0.04 -0.47 -0.23 0.00 -0.22 0.00 0.00 54.13 53.25 2o5w s LEU 72 Cb -0.26 -2.70 -0.03 0.00 0.50 0.00 0.00 46.19 43.71 2o5w s LEU 72 CO 0.04 -1.53 0.73 -0.63 -1.32 0.00 0.00 176.35 173.65 2o5w s ILE 73 N 4.74 4.98 -0.88 6.68 1.01 -1.13 -4.94 121.20 131.66 2o5w s ILE 73 Ca 0.32 1.44 -0.27 0.00 0.00 0.00 0.00 60.65 62.15 2o5w s ILE 73 Cb -0.11 -4.05 -0.23 0.00 0.01 0.00 0.00 42.46 38.08 2o5w s ILE 73 CO 0.17 0.14 1.97 -0.67 0.00 0.00 0.00 174.94 176.54 2o5w n ASP 74 N 4.62 1.69 -4.55 3.58 -0.08 -1.26 -3.07 116.55 117.49 2o5w n ASP 74 Ca 0.01 -2.55 -0.46 0.00 -1.51 0.00 0.00 54.79 50.28 2o5w n ASP 74 Cb 0.50 -1.46 -0.02 0.00 2.34 0.00 0.00 41.12 42.48 2o5w n ASP 74 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2o5w n GLN 76 N 0.90 0.00 -1.65 0.00 7.27 -1.26 -4.59 117.38 118.05 2o5w n GLN 76 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.19 2o5w n GLN 76 Cb 0.29 -0.12 0.00 0.00 2.41 0.00 0.00 30.24 32.82 2o5w n GLN 76 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2o5w n ARG 77 N 0.00 -0.67 -4.43 3.69 5.12 -1.26 -4.17 116.66 114.95 2o5w n ARG 77 Ca 0.00 0.65 -0.33 0.00 -1.93 0.00 0.00 57.85 56.24 2o5w n ARG 77 Cb 0.00 -0.44 -0.16 0.00 -1.16 0.00 0.00 32.46 30.70 2o5w n ARG 77 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2o5w s THR 78 N -0.02 2.36 0.33 0.55 2.01 -1.26 -1.15 115.64 118.46 2o5w s THR 78 Ca 0.00 -0.86 0.10 0.00 0.31 0.00 0.00 61.69 61.23 2o5w s THR 78 Cb 0.00 -1.98 -0.06 0.00 0.01 0.00 0.00 72.50 70.46 2o5w s THR 78 CO 0.00 0.53 -0.11 0.68 -0.69 0.00 0.00 174.62 175.02 2o5w s VAL 79 N 0.99 2.27 -0.06 3.82 -7.23 -0.17 -4.95 120.40 115.06 2o5w s VAL 79 Ca -0.02 -2.24 0.03 0.00 -1.81 0.00 0.00 61.98 57.94 2o5w s VAL 79 Cb -0.15 -2.58 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 2o5w s VAL 79 CO -0.04 -0.24 -0.15 -1.61 -0.31 0.00 0.00 175.10 172.74 2o5w s GLU 80 N -3.59 2.60 0.05 4.82 2.02 -1.26 0.36 118.70 123.70 2o5w s GLU 80 Ca 0.32 -0.72 0.05 0.00 0.02 0.00 0.00 54.97 54.64 2o5w s GLU 80 Cb 0.01 -2.38 -0.02 0.00 0.10 0.00 0.00 34.13 31.84 2o5w s GLU 80 CO 0.16 0.55 -0.15 -0.59 0.02 0.00 0.00 175.26 175.25 2o5w s PHE 81 N -0.54 1.26 0.16 1.61 -0.12 -0.67 -4.95 117.98 114.73 2o5w s PHE 81 Ca 0.07 -0.39 -0.34 0.00 -0.05 0.00 0.00 56.93 56.23 2o5w s PHE 81 Cb -0.11 -0.73 -0.13 0.00 -0.63 0.00 0.00 43.02 41.41 2o5w s PHE 81 CO 0.01 0.05 1.61 -1.91 -0.05 0.00 0.00 175.22 174.93 2o5w n GLU 82 N 1.67 2.24 -2.29 1.99 2.13 -1.26 -0.93 120.64 124.19 2o5w n GLU 82 Ca -0.19 0.81 -0.42 0.00 0.66 0.00 0.00 57.16 58.02 2o5w n GLU 82 Cb 0.54 -2.59 -0.03 0.00 0.27 0.00 0.00 31.44 29.63 2o5w n GLU 82 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2o5w s ILE 83 N 1.11 3.62 0.08 6.31 1.01 0.37 -4.86 121.20 128.83 2o5w s ILE 83 Ca 0.79 1.18 -0.36 0.00 0.00 0.00 0.00 60.65 62.26 2o5w s ILE 83 Cb -0.66 -3.76 -0.18 0.00 0.01 0.00 0.00 42.46 37.87 2o5w s ILE 83 CO 0.38 0.10 1.05 0.49 0.00 0.00 0.00 174.94 176.96 2o5w n PHE 84 N 3.77 0.73 -0.04 3.97 3.72 -1.26 -4.74 117.46 123.60 2o5w n PHE 84 Ca 0.10 0.91 0.10 0.00 -0.05 0.00 0.00 57.45 58.51 2o5w n PHE 84 Cb 0.44 -2.14 0.50 0.00 -0.94 0.00 0.00 39.48 37.34 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 3.01 0.35 0.96 4.37 4.64 -2.00 -0.67 113.55 124.23 2o5w h SER 85 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2o5w h SER 85 Cb 1.40 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2o5w h SER 85 CO 0.67 0.23 -0.09 0.00 -0.87 0.00 0.00 176.83 176.77 2o5w n HIS 86 N -4.47 0.09 0.62 4.77 1.44 -1.26 -3.39 115.22 113.01 2o5w n HIS 86 Ca 0.08 0.03 0.11 0.00 -2.01 0.00 0.00 57.72 55.92 2o5w n HIS 86 Cb 0.29 -0.50 -0.10 0.00 0.12 0.00 0.00 29.99 29.80 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 -1.58 0.62 0.31 2.39 4.32 -0.30 -4.65 117.00 118.12 2o5w n LEU 87 Ca 0.07 -0.26 0.18 0.00 -0.02 0.00 0.00 56.01 55.98 2o5w n LEU 87 Cb 0.35 -0.02 0.94 0.00 -1.62 0.00 0.00 43.42 43.07 2o5w n LEU 87 CO 0.29 0.14 1.11 -0.09 -1.22 0.00 0.00 177.39 177.61 2o5w h ARG 88 N 0.00 0.00 0.00 3.23 2.43 -1.46 -1.59 114.38 116.99 2o5w h ARG 88 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2o5w h ARG 88 Cb 0.69 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2o5w h ARG 88 CO 0.00 0.00 -0.84 -2.39 -1.51 0.00 0.00 179.97 175.23 2o5w n HIS 89 N -2.87 0.18 1.41 2.20 1.44 -1.26 -3.54 115.22 112.78 2o5w n HIS 89 Ca -0.02 0.05 0.14 0.00 -2.01 0.00 0.00 57.72 55.88 2o5w n HIS 89 Cb 0.22 -0.34 0.75 0.00 0.12 0.00 0.00 29.99 30.74 2o5w n HIS 89 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 2o5w n ARG 90 N -1.78 0.45 -3.90 -1.40 0.63 -0.60 -4.80 116.66 105.26 2o5w n ARG 90 Ca 0.03 0.01 -0.22 0.00 -0.92 0.00 0.00 57.85 56.76 2o5w n ARG 90 Cb 0.39 -1.50 -0.05 0.00 0.45 0.00 0.00 32.46 31.76 2o5w n ARG 90 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2o5w s TYR 91 N -2.53 2.82 0.37 -0.14 1.51 -1.23 -3.77 117.35 114.38 2o5w s TYR 91 Ca 0.29 -0.34 -0.28 0.00 -1.01 0.00 0.00 57.07 55.73 2o5w s TYR 91 Cb 0.20 -1.76 -0.11 0.00 -0.11 0.00 0.00 41.96 40.18 2o5w s TYR 91 CO 0.44 0.22 1.45 0.00 -1.11 0.00 0.00 175.55 176.55 2o5w s ALA 92 N -2.36 3.54 0.05 3.71 0.00 -1.26 -4.89 121.76 120.55 2o5w s ALA 92 Ca 0.40 1.51 -0.37 0.00 0.00 0.00 0.00 51.96 53.50 2o5w s ALA 92 Cb -0.04 -3.58 -0.17 0.00 0.00 0.00 0.00 23.12 19.32 2o5w s ALA 92 CO 0.25 -0.99 1.36 -2.30 0.00 0.00 0.00 175.76 174.08 2o5w n PRO 93 N 0.47 1.08 -0.33 0.00 -0.02 -1.26 -2.14 135.00 132.80 2o5w n PRO 93 Ca 0.01 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2o5w n PRO 93 Cb 0.40 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 2.59 0.77 3.40 -1.23 0.00 -1.26 -5.07 105.19 104.40 2o5w n GLY 94 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2o5w n GLY 94 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2o5w s VAL 95 N -2.26 4.29 -0.63 1.61 -7.23 -0.91 -4.95 120.40 110.32 2o5w s VAL 95 Ca 0.00 -0.47 0.06 0.00 -1.81 0.00 0.00 61.98 59.76 2o5w s VAL 95 Cb 0.00 -3.15 0.02 0.00 0.56 0.00 0.00 36.38 33.81 2o5w s VAL 95 CO 0.00 0.14 0.57 0.35 -0.31 0.00 0.00 175.10 175.85 2o5w n THR 96 N 4.92 0.00 -4.53 5.32 -2.24 -1.26 -4.89 114.28 111.60 2o5w n THR 96 Ca -0.15 -0.47 -0.27 0.00 -2.27 0.00 0.00 64.05 60.90 2o5w n THR 96 Cb 0.49 1.09 -0.13 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.77 1.39 -0.12 -0.78 3.00 -1.26 -0.48 118.95 119.93 2o5w s ARG 97 Ca 0.06 -1.13 0.03 0.00 0.00 0.00 0.00 55.73 54.69 2o5w s ARG 97 Cb 0.05 -1.65 0.01 0.00 0.00 0.00 0.00 34.95 33.36 2o5w s ARG 97 CO 0.11 0.40 -0.20 1.21 0.00 0.00 0.00 175.30 176.83 2o5w s ASN 98 N -1.60 2.89 -0.16 0.23 3.84 -0.11 -4.84 114.94 115.19 2o5w s ASN 98 Ca 0.09 -0.54 -0.26 0.00 0.21 0.00 0.00 52.86 52.36 2o5w s ASN 98 Cb -0.10 -1.33 -0.01 0.00 -0.55 0.00 0.00 41.25 39.26 2o5w s ASN 98 CO 0.03 0.07 0.88 -0.89 -2.79 0.00 0.00 177.10 174.41 2o5w s THR 99 N 0.79 4.85 -0.14 -5.21 2.01 -0.30 -1.66 115.64 115.97 2o5w s THR 99 Ca -0.09 1.74 0.00 0.00 0.31 0.00 0.00 61.69 63.65 2o5w s THR 99 Cb -0.16 -4.18 0.02 0.00 0.01 0.00 0.00 72.50 68.19 2o5w s THR 99 CO -0.00 0.00 -0.13 -0.70 -0.69 0.00 0.00 174.62 173.10 2o5w s GLU 100 N 2.21 2.17 -0.12 4.92 2.12 0.16 -0.22 118.70 129.95 2o5w s GLU 100 Ca 0.41 -0.51 -0.13 0.00 0.36 0.00 0.00 54.97 55.10 2o5w s GLU 100 Cb -0.17 -2.01 -0.05 0.00 0.26 0.00 0.00 34.13 32.17 2o5w s GLU 100 CO 0.13 -0.23 0.30 -1.12 -0.54 0.00 0.00 175.26 173.79 2o5w s SER 101 N 1.49 6.52 -0.07 -1.70 0.01 -0.56 -1.00 113.70 118.39 2o5w s SER 101 Ca 0.04 0.61 -0.14 0.00 1.31 0.00 0.00 55.95 57.78 2o5w s SER 101 Cb -0.13 -2.18 -0.05 0.00 0.21 0.00 0.00 66.02 63.87 2o5w s SER 101 CO -0.10 0.20 0.34 0.26 0.41 0.00 0.00 173.24 174.36 2o5w s TRP 102 N -0.13 3.62 0.18 2.43 0.51 -0.30 -0.73 118.94 124.52 2o5w s TRP 102 Ca 0.18 0.81 0.06 0.00 -2.12 0.00 0.00 56.10 55.02 2o5w s TRP 102 Cb -0.14 -2.28 -0.05 0.00 -0.81 0.00 0.00 33.47 30.20 2o5w s TRP 102 CO 0.06 0.50 -0.11 -0.06 -0.51 0.00 0.00 176.95 176.84 2o5w s PHE 103 N -0.48 1.48 0.09 -1.98 0.08 0.14 -3.58 117.98 113.73 2o5w s PHE 103 Ca 0.21 -0.70 0.05 0.00 0.12 0.00 0.00 56.93 56.61 2o5w s PHE 103 Cb -0.15 -0.74 -0.03 0.00 -0.57 0.00 0.00 43.02 41.53 2o5w s PHE 103 CO 0.09 0.19 -0.14 0.00 -0.10 0.00 0.00 175.22 175.25 2o5w s LEU 105 N -2.03 0.23 -0.11 0.00 2.96 -1.07 -2.84 118.68 115.82 2o5w s LEU 105 Ca 0.03 -1.26 -0.27 0.00 -0.22 0.00 0.00 54.13 52.41 2o5w s LEU 105 Cb -0.08 0.09 -0.02 0.00 0.50 0.00 0.00 46.19 46.68 2o5w s LEU 105 CO 0.02 -0.38 0.86 0.00 -1.32 0.00 0.00 176.35 175.54 2o5w s ALA 106 N 1.96 3.40 0.07 5.97 0.00 -1.25 -0.94 121.76 130.97 2o5w s ALA 106 Ca 0.11 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.30 2o5w s ALA 106 Cb -0.16 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 2o5w s ALA 106 CO -0.26 -0.45 0.13 -0.51 0.00 0.00 0.00 175.76 174.67 2o5w s LEU 107 N 1.64 4.02 0.16 0.00 1.43 0.15 -4.85 118.68 121.24 2o5w s LEU 107 Ca 0.42 0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.51 2o5w s LEU 107 Cb -0.18 -2.67 0.05 0.00 0.03 0.00 0.00 46.19 43.42 2o5w s LEU 107 CO 0.17 0.17 1.65 1.55 0.23 0.00 0.00 176.35 180.12 2o5w h PRO 108 N 3.21 0.92 -5.18 1.29 0.13 -1.96 0.34 132.00 130.76 2o5w h PRO 108 Ca -0.46 -0.25 -0.35 0.00 -0.87 0.00 0.00 66.00 64.06 2o5w h PRO 108 Cb 1.16 -0.10 -0.15 0.00 0.13 0.00 0.00 31.00 32.04 2o5w h PRO 108 CO 0.70 0.89 -0.72 -1.01 -0.23 0.00 0.00 178.00 177.63 2o5w s HIS 109 N -5.18 1.37 1.10 1.56 3.76 -1.26 -3.57 115.29 113.07 2o5w s HIS 109 Ca -0.12 -0.71 -0.12 0.00 -0.15 0.00 0.00 55.06 53.95 2o5w s HIS 109 Cb 0.12 -0.68 0.24 0.00 1.11 0.00 0.00 32.58 33.37 2o5w s HIS 109 CO 0.82 0.15 1.00 0.39 -0.85 0.00 0.00 174.74 176.24 2o5w n GLU 110 N -0.23 -1.82 -3.61 1.40 1.02 -1.26 -4.85 120.64 111.29 2o5w n GLU 110 Ca -0.10 -0.49 -0.07 0.00 -0.02 0.00 0.00 57.16 56.48 2o5w n GLU 110 Cb 0.61 -2.20 -0.02 0.00 -0.02 0.00 0.00 31.44 29.80 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 -4.41 1.03 0.30 3.49 1.70 -1.26 -5.13 118.95 114.67 2o5w s ARG 111 Ca 0.67 -0.48 -0.29 0.00 -0.47 0.00 0.00 55.73 55.17 2o5w s ARG 111 Cb -0.24 0.41 -0.10 0.00 -0.57 0.00 0.00 34.95 34.45 2o5w s ARG 111 CO 0.63 -0.46 1.35 -1.14 -1.08 0.00 0.00 175.30 174.60 2o5w s GLN 112 N -3.26 4.32 -0.11 3.89 2.00 -1.26 -5.03 119.66 120.21 2o5w s GLN 112 Ca 0.08 2.24 0.02 0.00 -2.00 0.00 0.00 55.36 55.69 2o5w s GLN 112 Cb -0.01 -3.09 -0.01 0.00 0.80 0.00 0.00 33.01 30.70 2o5w s GLN 112 CO -0.04 -0.27 -0.17 0.42 -0.50 0.00 0.00 175.29 174.72 2o5w s ILE 113 N -0.68 2.71 -1.14 -2.34 1.09 -1.26 -5.05 121.20 114.52 2o5w s ILE 113 Ca 0.53 -0.79 -0.15 0.00 -1.10 0.00 0.00 60.65 59.14 2o5w s ILE 113 Cb -0.40 -2.10 0.17 0.00 -1.06 0.00 0.00 42.46 39.06 2o5w s ILE 113 CO 0.49 0.54 1.35 -0.69 -0.10 0.00 0.00 174.94 176.53 2o5w s VAL 114 N 0.26 5.01 0.90 2.92 1.01 -1.26 -5.02 120.40 124.21 2o5w s VAL 114 Ca -0.12 -2.44 -0.12 0.00 0.00 0.00 0.00 61.98 59.30 2o5w s VAL 114 Cb -0.16 -4.87 0.13 0.00 0.00 0.00 0.00 36.38 31.48 2o5w s VAL 114 CO 0.06 -1.58 1.14 0.72 0.00 0.00 0.00 175.10 175.45 2o5w s PHE 115 N 1.71 2.57 0.22 5.22 -0.71 -1.26 -3.69 117.98 122.03 2o5w s PHE 115 Ca 0.40 0.84 0.00 0.00 -1.04 0.00 0.00 56.93 57.13 2o5w s PHE 115 Cb -0.04 -3.40 0.00 0.00 -1.21 0.00 0.00 43.02 38.37 2o5w s PHE 115 CO -0.02 -2.30 0.00 0.25 -1.34 0.00 0.00 175.22 171.81 2o5w n THR 116 N -3.71 0.36 -0.24 -4.49 -2.24 -1.15 -4.90 114.28 97.90 2o5w n THR 116 Ca 0.07 0.12 0.11 0.00 -2.27 0.00 0.00 64.05 62.08 2o5w n THR 116 Cb 0.59 -0.84 0.31 0.00 -2.10 0.00 0.00 70.33 68.30 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 -3.43 2.69 -4.24 -0.78 1.02 -1.26 -4.91 120.64 109.72 2o5w n GLU 117 Ca 0.00 -2.52 -0.25 0.00 -0.02 0.00 0.00 57.16 54.37 2o5w n GLU 117 Cb 0.01 -1.57 -0.07 0.00 -0.02 0.00 0.00 31.44 29.80 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 -1.12 2.80 0.13 -0.32 3.76 -1.26 -4.44 115.29 114.83 2o5w s HIS 118 Ca 0.47 -0.17 0.02 0.00 -0.15 0.00 0.00 55.06 55.23 2o5w s HIS 118 Cb 0.25 -1.30 -0.15 0.00 1.11 0.00 0.00 32.58 32.49 2o5w s HIS 118 CO 0.31 0.56 1.28 -0.07 -0.85 0.00 0.00 174.74 175.97 2o5w h LEU 119 N 2.24 0.20 -7.67 0.89 3.38 -1.69 -3.49 115.31 109.17 2o5w h LEU 119 Ca -0.46 -0.20 0.20 0.00 0.09 0.00 0.00 57.88 57.52 2o5w h LEU 119 Cb 1.23 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 2o5w h LEU 119 CO 0.59 1.09 0.57 0.00 0.09 0.00 0.00 178.44 180.79 2o5w s ALA 120 N -2.87 -1.74 0.12 1.53 0.00 -1.26 -5.03 121.76 112.50 2o5w s ALA 120 Ca -0.02 0.10 -0.02 0.00 0.00 0.00 0.00 51.96 52.02 2o5w s ALA 120 Cb 0.09 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 2o5w s ALA 120 CO 0.84 -1.05 0.06 1.52 0.00 0.00 0.00 175.76 177.13 2o5w s TYR 121 N -2.85 0.75 0.09 0.00 1.13 -1.26 -2.10 117.35 113.12 2o5w s TYR 121 Ca 0.15 -1.16 -0.17 0.00 -1.41 0.00 0.00 57.07 54.48 2o5w s TYR 121 Cb -0.01 -0.42 0.04 0.00 -1.10 0.00 0.00 41.96 40.47 2o5w s TYR 121 CO 0.02 -0.51 0.42 0.15 -2.51 0.00 0.00 175.55 173.12 2o5w s LYS 122 N -4.02 1.01 -0.24 -3.49 1.02 -0.76 -5.01 119.74 108.26 2o5w s LYS 122 Ca 0.20 -0.54 -0.06 0.00 0.02 0.00 0.00 55.97 55.60 2o5w s LYS 122 Cb 0.07 0.45 -0.01 0.00 -0.52 0.00 0.00 37.83 37.82 2o5w s LYS 122 CO -0.01 -0.38 0.02 -1.58 -0.92 0.00 0.00 175.35 172.48 2o5w s TRP 123 N -3.20 3.03 -0.03 3.18 0.52 -1.26 -1.28 118.94 119.90 2o5w s TRP 123 Ca -0.01 -0.74 0.05 0.00 0.02 0.00 0.00 56.10 55.42 2o5w s TRP 123 Cb 0.01 -2.18 -0.01 0.00 -1.15 0.00 0.00 33.47 30.14 2o5w s TRP 123 CO -0.08 -0.48 -0.19 -0.51 0.02 0.00 0.00 176.95 175.72 2o5w s LEU 124 N 1.54 1.98 0.51 2.99 1.43 -0.49 -4.86 118.68 121.77 2o5w s LEU 124 Ca 0.06 -0.37 -0.23 0.00 -1.03 0.00 0.00 54.13 52.56 2o5w s LEU 124 Cb -0.15 -1.02 -0.06 0.00 0.03 0.00 0.00 46.19 44.99 2o5w s LEU 124 CO 0.00 0.20 1.38 -0.90 0.23 0.00 0.00 176.35 177.26 2o5w n ASP 125 N 2.90 2.92 -0.26 2.29 5.75 -1.26 0.85 116.55 129.73 2o5w n ASP 125 Ca -0.17 1.04 -0.03 0.00 -0.01 0.00 0.00 54.79 55.61 2o5w n ASP 125 Cb 0.53 -1.58 0.02 0.00 -1.03 0.00 0.00 41.12 39.06 2o5w n ASP 125 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2o5w h ALA 126 N 1.77 0.06 0.00 2.12 0.00 -1.91 -1.62 119.26 119.67 2o5w h ALA 126 Ca -0.51 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2o5w h ALA 126 Cb 1.29 0.84 0.00 0.00 0.00 0.00 0.00 17.79 19.93 2o5w h ALA 126 CO 0.59 -0.64 0.00 -1.35 0.00 0.00 0.00 179.25 177.84 2o5w h PRO 127 N -0.10 0.00 0.17 0.00 0.11 -1.94 0.30 132.00 130.54 2o5w h PRO 127 Ca 0.28 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 2o5w h PRO 127 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 2o5w h PRO 127 CO -0.79 0.00 -0.08 0.00 -0.21 0.00 0.00 178.00 176.92 2o5w h ALA 128 N 2.11 -0.23 -0.68 -0.75 0.00 -1.65 -2.51 119.26 115.54 2o5w h ALA 128 Ca 0.00 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.76 2o5w h ALA 128 Cb 0.52 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 2o5w h ALA 128 CO 0.00 -0.36 0.36 0.00 0.00 0.00 0.00 179.25 179.25 2o5w h ALA 129 N -0.13 0.92 -0.36 0.00 0.00 -1.28 -0.83 119.26 117.58 2o5w h ALA 129 Ca -0.02 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2o5w h ALA 129 Cb 0.52 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 2o5w h ALA 129 CO 0.04 0.01 -0.14 0.00 0.00 0.00 0.00 179.25 179.15 2o5w h ALA 130 N 1.38 0.15 0.00 0.00 0.00 -1.01 -2.63 119.26 117.15 2o5w h ALA 130 Ca 0.32 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2o5w h ALA 130 Cb 0.25 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2o5w h ALA 130 CO -0.21 -0.52 0.00 0.00 0.00 0.00 0.00 179.25 178.52 2o5w h ALA 131 N 1.23 1.00 0.20 0.00 0.00 -0.89 -3.30 119.26 117.49 2o5w h ALA 131 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.75 2o5w h ALA 131 Cb 0.35 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.16 2o5w h ALA 131 CO -0.41 0.00 -1.64 1.25 0.00 0.00 0.00 179.25 178.45 2o5w h LEU 132 N 0.00 0.65 -9.88 0.00 5.85 -0.97 -3.48 115.31 107.49 2o5w h LEU 132 Ca 0.00 -0.86 -0.52 0.00 0.84 0.00 0.00 57.88 57.34 2o5w h LEU 132 Cb 0.82 -0.21 0.06 0.00 0.37 0.00 0.00 40.66 41.70 2o5w h LEU 132 CO 0.00 1.71 0.62 0.28 -0.34 0.00 0.00 178.44 180.71 2o5w s THR 133 N -2.59 2.80 -1.17 1.05 -1.32 -1.01 -4.74 115.64 108.66 2o5w s THR 133 Ca -0.13 0.81 0.27 0.00 -1.21 0.00 0.00 61.69 61.43 2o5w s THR 133 Cb 0.05 -3.51 0.16 0.00 -1.51 0.00 0.00 72.50 67.69 2o5w s THR 133 CO 0.88 0.19 1.63 0.29 -2.21 0.00 0.00 174.62 175.40 2o5w n LYS 134 N 0.81 0.19 -3.43 7.08 5.02 -1.26 -4.73 118.16 121.85 2o5w n LYS 134 Ca -0.00 -0.08 -0.39 0.00 -2.02 0.00 0.00 58.31 55.81 2o5w n LYS 134 Cb 0.42 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.84 2o5w n LYS 134 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2o5w s SER 135 N -2.87 6.19 0.36 4.39 0.15 -1.26 -4.95 113.70 115.71 2o5w s SER 135 Ca 0.16 0.10 0.03 0.00 0.70 0.00 0.00 55.95 56.95 2o5w s SER 135 Cb 0.18 -2.19 0.68 0.00 -1.71 0.00 0.00 66.02 62.98 2o5w s SER 135 CO 0.60 -0.20 2.01 4.11 1.20 0.00 0.00 173.24 180.96 2o5w h TRP 136 N 8.28 0.76 -0.47 3.44 5.08 -1.98 -2.00 115.95 129.07 2o5w h TRP 136 Ca -0.32 0.02 -0.10 0.00 1.08 0.00 0.00 58.89 59.58 2o5w h TRP 136 Cb 1.16 -0.26 -0.02 0.00 -3.00 0.00 0.00 29.16 27.05 2o5w h TRP 136 CO 0.74 0.47 -0.08 0.66 -1.28 0.00 0.00 178.44 178.95 2o5w h SER 137 N 0.81 0.88 0.47 0.11 4.64 -1.98 -1.10 113.55 117.37 2o5w h SER 137 Ca 0.23 -0.35 -0.06 0.00 -0.47 0.00 0.00 61.79 61.15 2o5w h SER 137 Cb -0.04 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.80 2o5w h SER 137 CO -0.06 1.02 -0.28 -1.13 -0.87 0.00 0.00 176.83 175.52 2o5w h ASN 138 N 0.72 0.00 0.10 4.97 -0.00 -1.91 -2.62 115.58 116.85 2o5w h ASN 138 Ca 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.42 2o5w h ASN 138 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.94 2o5w h ASN 138 CO 0.04 0.28 -0.05 -0.09 -0.00 0.00 0.00 177.43 177.61 2o5w h ARG 139 N 0.00 -0.13 -0.51 6.67 2.43 -1.03 -3.01 114.38 118.79 2o5w h ARG 139 Ca -0.00 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 2o5w h ARG 139 Cb 0.58 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.10 2o5w h ARG 139 CO 0.04 0.31 0.13 1.96 -1.51 0.00 0.00 179.97 180.89 2o5w h GLN 140 N -0.64 0.27 -0.10 0.20 4.20 -1.14 -0.27 115.11 117.64 2o5w h GLN 140 Ca -0.01 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.70 2o5w h GLN 140 Cb 0.50 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 2o5w h GLN 140 CO 0.02 0.18 -0.05 0.00 -0.67 0.00 0.00 178.83 178.31 2o5w h ALA 141 N 1.38 0.04 -0.91 3.87 0.00 -1.55 0.61 119.26 122.71 2o5w h ALA 141 Ca 0.26 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.31 2o5w h ALA 141 Cb 0.33 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 2o5w h ALA 141 CO -0.31 -0.51 0.55 0.82 0.00 0.00 0.00 179.25 179.80 2o5w h ILE 142 N -0.04 0.93 -0.17 0.00 2.04 -1.34 0.33 117.51 119.26 2o5w h ILE 142 Ca 0.05 -0.31 -0.11 0.00 1.00 0.00 0.00 64.86 65.49 2o5w h ILE 142 Cb 0.12 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 2o5w h ILE 142 CO -0.12 0.17 -0.34 -0.33 0.00 0.00 0.00 178.15 177.52 2o5w h GLU 143 N 0.91 0.54 0.08 2.37 5.08 -0.01 -2.10 114.58 121.44 2o5w h GLU 143 Ca 0.44 -0.35 -0.25 0.00 -1.00 0.00 0.00 59.36 58.20 2o5w h GLU 143 Cb 0.38 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2o5w h GLU 143 CO -0.24 0.96 -1.15 1.96 -1.00 0.00 0.00 179.01 179.53 2o5w h GLN 144 N 0.19 0.19 -0.00 2.33 4.20 0.49 -3.07 115.11 119.43 2o5w h GLN 144 Ca 0.01 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.40 2o5w h GLN 144 Cb 0.94 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.83 2o5w h GLN 144 CO 0.08 1.14 -0.21 1.19 -0.67 0.00 0.00 178.83 180.36 2o5w n PHE 145 N -3.49 0.00 -0.04 2.96 3.72 0.11 -4.65 117.46 116.08 2o5w n PHE 145 Ca -0.06 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.28 2o5w n PHE 145 Cb 0.99 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.49 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 -0.68 0.43 1.66 -4.37 0.31 -0.92 -5.02 118.33 109.74 2o5w n VAL 146 Ca 0.02 -0.15 0.15 0.00 -0.01 0.00 0.00 64.34 64.35 2o5w n VAL 146 Cb 0.12 -0.98 0.66 0.00 -0.91 0.00 0.00 33.84 32.74 2o5w n VAL 146 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13