#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s8n s VAL 12 N 0.00 2.79 0.36 0.00 -7.23 -1.26 -4.97 120.40 110.09 1s8n s VAL 12 Ca 0.00 0.47 -0.28 0.00 -1.81 0.00 0.00 61.98 60.36 1s8n s VAL 12 Cb 0.00 -3.15 -0.11 0.00 0.56 0.00 0.00 36.38 33.67 1s8n s VAL 12 CO 0.00 -0.12 1.51 -2.65 -0.31 0.00 0.00 175.10 173.53 1s8n n PRO 13 N -1.67 2.69 0.00 4.82 -0.02 -1.26 -4.93 135.00 134.63 1s8n n PRO 13 Ca 0.13 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 1s8n n PRO 13 Cb 0.50 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1s8n n PRO 13 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1s8n n ARG 14 N 0.79 1.52 -3.38 -0.52 0.63 -1.26 -4.97 116.66 109.47 1s8n n ARG 14 Ca 0.03 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.56 1s8n n ARG 14 Cb 0.38 -0.95 -0.09 0.00 0.45 0.00 0.00 32.46 32.25 1s8n n ARG 14 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1s8n s ARG 15 N -1.90 3.77 -0.06 -0.14 0.52 -1.26 -0.55 118.95 119.34 1s8n s ARG 15 Ca 0.00 -0.19 0.05 0.00 -0.52 0.00 0.00 55.73 55.07 1s8n s ARG 15 Cb 0.00 -3.74 -0.01 0.00 0.52 0.00 0.00 34.95 31.73 1s8n s ARG 15 CO 0.00 -0.42 -0.21 0.14 0.02 0.00 0.00 175.30 174.82 1s8n s VAL 16 N 2.08 1.77 -0.23 3.52 -7.23 0.42 -0.17 120.40 120.55 1s8n s VAL 16 Ca 0.14 -0.90 -0.10 0.00 -1.81 0.00 0.00 61.98 59.31 1s8n s VAL 16 Cb -0.16 -1.51 -0.05 0.00 0.56 0.00 0.00 36.38 35.22 1s8n s VAL 16 CO 0.11 0.50 0.15 -0.22 -0.31 0.00 0.00 175.10 175.33 1s8n s LEU 17 N -0.01 4.10 0.09 1.32 2.96 -0.28 -0.72 118.68 126.14 1s8n s LEU 17 Ca -0.05 0.12 0.05 0.00 -0.22 0.00 0.00 54.13 54.03 1s8n s LEU 17 Cb -0.13 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1s8n s LEU 17 CO 0.03 0.09 -0.00 0.27 -1.32 0.00 0.00 176.35 175.42 1s8n s ILE 18 N 0.93 3.98 -0.15 6.68 -4.36 -0.69 -1.19 121.20 126.41 1s8n s ILE 18 Ca 0.07 -1.02 -0.04 0.00 -0.26 0.00 0.00 60.65 59.40 1s8n s ILE 18 Cb -0.13 -2.90 0.06 0.00 1.25 0.00 0.00 42.46 40.74 1s8n s ILE 18 CO 0.03 0.11 0.10 0.00 0.24 0.00 0.00 174.94 175.42 1s8n s ALA 19 N -1.32 0.32 -0.28 2.27 0.00 0.47 -0.40 121.76 122.81 1s8n s ALA 19 Ca 0.26 -0.15 -0.16 0.00 0.00 0.00 0.00 51.96 51.90 1s8n s ALA 19 Cb -0.12 -0.98 0.09 0.00 0.00 0.00 0.00 23.12 22.11 1s8n s ALA 19 CO 0.18 -1.05 0.74 -2.00 0.00 0.00 0.00 175.76 173.63 1s8n s GLU 20 N 2.16 0.65 0.20 0.00 2.56 -0.62 -1.21 118.70 122.45 1s8n s GLU 20 Ca 0.03 1.14 0.21 0.00 0.00 0.00 0.00 54.97 56.35 1s8n s GLU 20 Cb -0.15 0.15 0.01 0.00 2.00 0.00 0.00 34.13 36.13 1s8n s GLU 20 CO -0.08 -0.14 1.07 0.22 -0.56 0.00 0.00 175.26 175.76 1s8n h ASP 21 N 6.87 0.00 -3.22 -1.70 3.58 -1.82 -3.41 116.42 116.72 1s8n h ASP 21 Ca -0.29 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.57 1s8n h ASP 21 Cb 1.22 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.20 1s8n h ASP 21 CO 0.16 0.10 0.70 -1.61 -2.88 0.00 0.00 179.24 175.72 1s8n s GLU 22 N -3.27 4.17 0.29 0.28 0.41 -1.26 -4.93 118.70 114.39 1s8n s GLU 22 Ca -0.00 1.12 -0.00 0.00 -0.41 0.00 0.00 54.97 55.68 1s8n s GLU 22 Cb 0.09 -3.67 0.44 0.00 -1.78 0.00 0.00 34.13 29.21 1s8n s GLU 22 CO 0.78 -0.68 1.84 0.00 -0.49 0.00 0.00 175.26 176.72 1s8n h ALA 23 N 7.72 1.26 -0.22 5.21 0.00 -1.99 -1.27 119.26 129.97 1s8n h ALA 23 Ca -0.21 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 1s8n h ALA 23 Cb 1.07 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1s8n h ALA 23 CO 0.96 0.52 -0.35 1.25 0.00 0.00 0.00 179.25 181.63 1s8n h LEU 24 N 0.77 0.69 -0.65 0.00 5.85 -1.98 -0.27 115.31 119.72 1s8n h LEU 24 Ca 0.17 -0.52 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 1s8n h LEU 24 Cb 0.27 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1s8n h LEU 24 CO -0.00 1.08 0.34 0.40 -0.34 0.00 0.00 178.44 179.92 1s8n h ILE 25 N 0.32 1.21 -0.27 4.05 2.04 -1.93 -0.27 117.51 122.67 1s8n h ILE 25 Ca 0.02 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.36 1s8n h ILE 25 Cb 0.93 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1s8n h ILE 25 CO 0.08 0.24 0.07 -0.09 0.00 0.00 0.00 178.15 178.45 1s8n h ARG 26 N 0.90 0.17 -0.51 2.37 2.43 -1.08 0.33 114.38 118.99 1s8n h ARG 26 Ca 0.23 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.31 1s8n h ARG 26 Cb 0.07 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1s8n h ARG 26 CO -0.03 0.12 0.01 0.52 -1.51 0.00 0.00 179.97 179.07 1s8n h MET 27 N 0.18 0.89 -0.39 0.20 2.86 -0.81 -0.94 114.93 116.92 1s8n h MET 27 Ca 0.12 -0.28 -0.13 0.00 -2.06 0.00 0.00 59.70 57.35 1s8n h MET 27 Cb 0.11 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1s8n h MET 27 CO -0.14 0.92 -0.28 -0.44 1.06 0.00 0.00 176.91 178.02 1s8n h ASP 28 N 0.76 0.87 -0.25 1.22 3.32 -0.84 -1.60 116.42 119.90 1s8n h ASP 28 Ca 0.14 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 1s8n h ASP 28 Cb 0.51 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1s8n h ASP 28 CO 0.02 1.09 0.04 0.25 -1.72 0.00 0.00 179.24 178.93 1s8n h LEU 29 N 0.71 0.40 -0.73 1.55 5.85 -0.78 -1.65 115.31 120.66 1s8n h LEU 29 Ca 0.08 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1s8n h LEU 29 Cb 0.83 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 1s8n h LEU 29 CO 0.07 0.55 0.46 0.00 -0.34 0.00 0.00 178.44 179.18 1s8n h ALA 30 N 0.86 0.96 -0.16 1.25 0.00 -1.01 -1.50 119.26 119.66 1s8n h ALA 30 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1s8n h ALA 30 Cb 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1s8n h ALA 30 CO 0.00 0.23 0.06 1.49 0.00 0.00 0.00 179.25 181.04 1s8n h GLU 31 N 0.89 0.24 -0.54 0.00 4.57 -1.11 -1.17 114.58 117.46 1s8n h GLU 31 Ca 0.29 -0.04 0.11 0.00 -1.18 0.00 0.00 59.36 58.54 1s8n h GLU 31 Cb 0.03 -0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 28.49 1s8n h GLU 31 CO -0.12 0.32 -0.08 0.52 -1.18 0.00 0.00 179.01 178.47 1s8n h MET 32 N 0.11 0.04 -0.35 1.92 2.86 -1.09 -1.06 114.93 117.36 1s8n h MET 32 Ca 0.05 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.63 1s8n h MET 32 Cb 0.17 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1s8n h MET 32 CO -0.00 0.03 -0.02 -0.07 1.06 0.00 0.00 176.91 177.91 1s8n h LEU 33 N 0.04 0.62 -1.12 1.22 3.38 -1.04 -2.52 115.31 115.89 1s8n h LEU 33 Ca 0.27 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1s8n h LEU 33 Cb 0.42 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1s8n h LEU 33 CO -0.52 0.79 0.54 0.03 0.09 0.00 0.00 178.44 179.37 1s8n h ARG 34 N 0.44 1.14 0.00 1.13 3.08 -0.88 -1.07 114.38 118.21 1s8n h ARG 34 Ca 0.10 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1s8n h ARG 34 Cb 0.48 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1s8n h ARG 34 CO 0.02 0.77 -0.16 0.93 -1.07 0.00 0.00 179.97 180.47 1s8n h GLU 35 N 1.16 0.00 -0.56 0.04 5.08 -0.89 -2.28 114.58 117.14 1s8n h GLU 35 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1s8n h GLU 35 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1s8n h GLU 35 CO -0.06 0.16 0.00 0.39 -1.00 0.00 0.00 179.01 178.50 1s8n n GLU 36 N -3.67 3.43 -0.44 2.33 -0.58 -0.76 -4.94 120.64 116.01 1s8n n GLU 36 Ca -0.02 -2.74 0.00 0.00 -0.42 0.00 0.00 57.16 53.99 1s8n n GLU 36 Cb 0.28 -1.76 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 1s8n n GLU 36 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s8n n GLY 37 N 0.86 0.74 3.87 0.62 0.00 -0.86 -5.06 105.19 105.37 1s8n n GLY 37 Ca 0.23 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 1s8n n GLY 37 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s8n s TYR 38 N -2.00 3.46 -0.21 1.61 2.02 -0.48 -4.94 117.35 116.80 1s8n s TYR 38 Ca 0.00 1.06 -0.07 0.00 -0.37 0.00 0.00 57.07 57.70 1s8n s TYR 38 Cb 0.00 -2.45 -0.03 0.00 -0.40 0.00 0.00 41.96 39.07 1s8n s TYR 38 CO 0.00 -0.09 0.05 -2.00 -1.57 0.00 0.00 175.55 171.94 1s8n s GLU 39 N -3.75 3.76 -0.39 -0.62 2.12 0.29 -4.23 118.70 115.88 1s8n s GLU 39 Ca 0.52 -0.44 -0.29 0.00 0.36 0.00 0.00 54.97 55.11 1s8n s GLU 39 Cb -0.10 -3.21 0.02 0.00 0.26 0.00 0.00 34.13 31.10 1s8n s GLU 39 CO 0.30 0.04 1.10 0.42 -0.54 0.00 0.00 175.26 176.58 1s8n s ILE 40 N 0.97 4.38 -1.98 -3.70 -1.09 -1.26 -0.44 121.20 118.08 1s8n s ILE 40 Ca 0.03 1.52 0.20 0.00 -2.23 0.00 0.00 60.65 60.17 1s8n s ILE 40 Cb -0.14 -4.50 0.02 0.00 -1.58 0.00 0.00 42.46 36.27 1s8n s ILE 40 CO 0.03 -0.70 1.03 1.33 -1.23 0.00 0.00 174.94 175.39 1s8n n VAL 41 N 6.28 0.00 -3.57 2.92 0.24 0.11 -4.91 118.33 119.40 1s8n n VAL 41 Ca 0.12 -0.33 -0.09 0.00 -2.04 0.00 0.00 64.34 62.00 1s8n n VAL 41 Cb 0.48 1.27 -0.05 0.00 -1.47 0.00 0.00 33.84 34.08 1s8n n VAL 41 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1s8n s GLY 42 N -2.17 -0.27 -0.24 7.63 0.00 -1.23 -4.97 107.32 106.07 1s8n s GLY 42 Ca 0.18 1.93 -0.01 0.00 0.00 0.00 0.00 44.72 46.82 1s8n s GLY 42 CO 0.46 0.92 0.03 -0.54 0.00 0.00 0.00 173.10 173.98 1s8n s GLU 43 N -1.42 0.95 0.09 2.90 2.02 -1.26 -1.70 118.70 120.28 1s8n s GLU 43 Ca 0.00 -0.80 -0.06 0.00 0.02 0.00 0.00 54.97 54.14 1s8n s GLU 43 Cb -0.01 -2.23 -0.05 0.00 0.10 0.00 0.00 34.13 31.94 1s8n s GLU 43 CO -0.01 -0.74 0.34 0.00 0.02 0.00 0.00 175.26 174.88 1s8n s ALA 44 N 1.64 3.81 -0.33 5.21 0.00 0.46 -4.98 121.76 127.57 1s8n s ALA 44 Ca 0.01 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.45 1s8n s ALA 44 Cb -0.18 -2.12 0.03 0.00 0.00 0.00 0.00 23.12 20.86 1s8n s ALA 44 CO -0.13 0.66 0.68 0.41 0.00 0.00 0.00 175.76 177.38 1s8n n GLY 45 N 0.50 -0.42 3.14 0.00 0.00 -1.26 -1.58 105.19 105.56 1s8n n GLY 45 Ca -0.06 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 1s8n n GLY 45 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1s8n s ASP 46 N -0.38 0.34 0.39 1.61 1.47 -1.26 -4.38 116.67 114.46 1s8n s ASP 46 Ca 0.04 -0.86 0.14 0.00 1.18 0.00 0.00 52.55 53.05 1s8n s ASP 46 Cb 0.02 0.26 0.79 0.00 -0.34 0.00 0.00 42.92 43.65 1s8n s ASP 46 CO 0.04 -0.65 1.85 1.23 0.68 0.00 0.00 175.17 178.31 1s8n h GLY 47 N 2.99 0.00 0.73 2.12 0.00 -1.37 -1.86 103.07 105.68 1s8n h GLY 47 Ca -0.34 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 1s8n h GLY 47 CO 0.62 0.00 -0.30 -1.61 0.00 0.00 0.00 176.54 175.25 1s8n h GLN 48 N 0.00 0.38 -0.71 4.80 5.75 -1.79 -2.52 115.11 121.01 1s8n h GLN 48 Ca -0.00 -0.27 0.05 0.00 -0.15 0.00 0.00 58.65 58.27 1s8n h GLN 48 Cb 0.62 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.18 1s8n h GLN 48 CO 0.04 0.89 0.47 1.49 -2.65 0.00 0.00 178.83 179.07 1s8n h GLU 49 N -0.07 0.78 -0.13 1.69 4.81 -1.89 -1.54 114.58 118.22 1s8n h GLU 49 Ca -0.01 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1s8n h GLU 49 Cb 0.92 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1s8n h GLU 49 CO 0.06 0.51 0.08 0.00 -0.73 0.00 0.00 179.01 178.94 1s8n h ALA 50 N 1.60 0.17 -0.49 2.92 0.00 -1.15 0.14 119.26 122.46 1s8n h ALA 50 Ca 0.29 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1s8n h ALA 50 Cb 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1s8n h ALA 50 CO -0.09 -0.31 0.29 0.28 0.00 0.00 0.00 179.25 179.42 1s8n h VAL 51 N 0.14 1.16 -0.47 0.00 2.07 -1.12 -1.12 116.25 116.91 1s8n h VAL 51 Ca 0.05 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1s8n h VAL 51 Cb 0.04 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1s8n h VAL 51 CO -0.01 0.16 0.25 -0.33 0.02 0.00 0.00 177.57 177.66 1s8n h GLU 52 N 0.66 0.66 -0.22 1.57 5.08 -0.77 -1.86 114.58 119.70 1s8n h GLU 52 Ca 0.18 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 1s8n h GLU 52 Cb 0.01 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1s8n h GLU 52 CO -0.03 0.54 -0.51 -0.07 -1.00 0.00 0.00 179.01 177.94 1s8n h LEU 53 N 0.62 0.67 -0.91 1.33 3.38 -0.63 0.15 115.31 119.91 1s8n h LEU 53 Ca 0.16 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1s8n h LEU 53 Cb 0.08 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1s8n h LEU 53 CO -0.02 1.06 0.51 0.00 0.09 0.00 0.00 178.44 180.08 1s8n h ALA 54 N 0.96 1.17 -0.24 1.53 0.00 -1.01 0.72 119.26 122.40 1s8n h ALA 54 Ca 0.02 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1s8n h ALA 54 Cb 1.05 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1s8n h ALA 54 CO 0.10 0.66 -0.42 0.93 0.00 0.00 0.00 179.25 180.52 1s8n h GLU 55 N 1.28 0.58 -0.04 0.00 5.08 -1.15 -1.75 114.58 118.57 1s8n h GLU 55 Ca 0.32 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1s8n h GLU 55 Cb 0.01 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1s8n h GLU 55 CO -0.05 0.89 -0.15 1.25 -1.00 0.00 0.00 179.01 179.95 1s8n h LEU 56 N 0.47 0.20 0.00 1.33 5.85 -0.24 -3.36 115.31 119.56 1s8n h LEU 56 Ca 0.04 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 58.13 1s8n h LEU 56 Cb 0.93 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1s8n h LEU 56 CO 0.08 0.79 -1.74 1.41 -0.34 0.00 0.00 178.44 178.64 1s8n n HIS 57 N -4.61 0.00 -3.73 1.25 8.25 0.18 -5.02 115.22 111.54 1s8n n HIS 57 Ca -0.08 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.10 1s8n n HIS 57 Cb 0.40 -0.38 0.02 0.00 1.12 0.00 0.00 29.99 31.15 1s8n n HIS 57 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1s8n n LYS 58 N -2.07 -1.14 -0.90 -0.41 4.76 -0.66 -4.94 118.16 112.81 1s8n n LYS 58 Ca -0.02 0.63 -0.30 0.00 -2.87 0.00 0.00 58.31 55.76 1s8n n LYS 58 Cb 0.49 -3.25 0.18 0.00 -1.84 0.00 0.00 35.03 30.61 1s8n n LYS 58 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1s8n s PRO 59 N -5.48 0.52 0.19 1.97 0.04 -1.26 -4.95 135.00 126.02 1s8n s PRO 59 Ca 0.23 0.97 0.26 0.00 0.04 0.00 0.00 61.00 62.49 1s8n s PRO 59 Cb -0.10 -1.71 0.70 0.00 0.04 0.00 0.00 34.50 33.43 1s8n s PRO 59 CO 0.89 -2.79 1.67 -0.25 0.04 0.00 0.00 177.00 176.55 1s8n n ASP 60 N -4.28 0.79 -3.63 6.66 8.00 0.76 -4.60 116.55 120.25 1s8n n ASP 60 Ca 0.07 0.47 -0.12 0.00 0.71 0.00 0.00 54.79 55.91 1s8n n ASP 60 Cb 0.54 -0.57 -0.07 0.00 -0.02 0.00 0.00 41.12 41.01 1s8n n ASP 60 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1s8n s LEU 61 N -4.45 -0.62 -0.07 0.64 2.96 -1.03 -4.15 118.68 111.95 1s8n s LEU 61 Ca 0.10 1.18 0.04 0.00 -0.22 0.00 0.00 54.13 55.23 1s8n s LEU 61 Cb 0.13 2.22 -0.00 0.00 0.50 0.00 0.00 46.19 49.04 1s8n s LEU 61 CO 0.63 -0.22 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.53 1s8n s VAL 62 N 0.26 1.84 -0.14 1.68 1.01 -0.41 -1.13 120.40 123.51 1s8n s VAL 62 Ca 0.01 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1s8n s VAL 62 Cb -0.05 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.77 1s8n s VAL 62 CO -0.02 0.51 -0.14 -0.63 0.00 0.00 0.00 175.10 174.83 1s8n s ILE 63 N 0.17 1.49 -0.02 2.22 1.01 -0.33 -0.78 121.20 124.96 1s8n s ILE 63 Ca -0.11 -0.59 -0.05 0.00 0.00 0.00 0.00 60.65 59.89 1s8n s ILE 63 Cb -0.15 -1.40 0.01 0.00 0.01 0.00 0.00 42.46 40.92 1s8n s ILE 63 CO 0.06 0.44 0.12 -0.32 0.00 0.00 0.00 174.94 175.24 1s8n s MET 64 N 1.40 0.28 0.41 2.79 1.75 -0.20 -0.40 119.30 125.34 1s8n s MET 64 Ca 0.02 -0.09 -0.24 0.00 -1.25 0.00 0.00 55.69 54.13 1s8n s MET 64 Cb -0.13 0.12 -0.08 0.00 2.84 0.00 0.00 34.83 37.57 1s8n s MET 64 CO -0.08 -0.05 1.12 0.34 -0.65 0.00 0.00 175.02 175.69 1s8n s ASP 65 N -0.56 6.52 0.43 1.11 -1.08 -0.35 -0.56 116.67 122.18 1s8n s ASP 65 Ca -0.06 2.22 0.12 0.00 -0.52 0.00 0.00 52.55 54.30 1s8n s ASP 65 Cb -0.04 -2.60 0.95 0.00 -1.46 0.00 0.00 42.92 39.77 1s8n s ASP 65 CO 0.01 -0.67 2.00 1.62 0.52 0.00 0.00 175.17 178.65 1s8n h VAL 66 N 2.15 1.12 -3.44 1.11 3.04 -1.16 -3.31 116.25 115.76 1s8n h VAL 66 Ca -0.49 -0.50 -0.64 0.00 -1.01 0.00 0.00 66.70 64.06 1s8n h VAL 66 Cb 1.23 1.11 -0.23 0.00 -2.01 0.00 0.00 31.29 31.39 1s8n h VAL 66 CO 0.62 0.16 -0.66 -0.54 -1.01 0.00 0.00 177.57 176.14 1s8n s LYS 67 N -4.87 3.62 0.02 4.17 -0.14 -1.26 -2.08 119.74 119.20 1s8n s LYS 67 Ca -0.05 -0.52 0.01 0.00 -1.36 0.00 0.00 55.97 54.05 1s8n s LYS 67 Cb 0.16 -3.09 -0.02 0.00 -1.68 0.00 0.00 37.83 33.20 1s8n s LYS 67 CO 0.71 0.00 -0.05 -1.64 -0.76 0.00 0.00 175.35 173.61 1s8n s MET 68 N 1.03 0.37 0.65 1.68 -1.94 -1.26 -4.69 119.30 115.14 1s8n s MET 68 Ca 0.02 -0.58 -0.18 0.00 -1.71 0.00 0.00 55.69 53.24 1s8n s MET 68 Cb -0.14 -0.08 -0.01 0.00 2.01 0.00 0.00 34.83 36.61 1s8n s MET 68 CO 0.02 0.00 1.27 -2.14 -0.01 0.00 0.00 175.02 174.16 1s8n s PRO 69 N -1.29 2.57 0.00 2.03 0.02 -1.26 -3.84 135.00 133.23 1s8n s PRO 69 Ca -0.11 1.99 0.00 0.00 0.02 0.00 0.00 61.00 62.90 1s8n s PRO 69 Cb -0.09 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1s8n s PRO 69 CO -0.00 -1.57 0.00 0.54 -0.33 0.00 0.00 177.00 175.64 1s8n n ARG 70 N -1.95 0.00 -3.75 5.54 1.74 -1.26 -2.03 116.66 114.95 1s8n n ARG 70 Ca 0.15 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 57.01 1s8n n ARG 70 Cb 0.49 0.00 -0.18 0.00 -1.02 0.00 0.00 32.46 31.75 1s8n n ARG 70 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1s8n s ARG 71 N 0.00 0.49 0.71 5.56 3.52 -1.26 -4.93 118.95 123.04 1s8n s ARG 71 Ca 0.00 0.15 -0.14 0.00 -0.13 0.00 0.00 55.73 55.61 1s8n s ARG 71 Cb 0.00 -0.90 0.03 0.00 -1.56 0.00 0.00 34.95 32.52 1s8n s ARG 71 CO 0.00 -0.31 1.14 0.16 -0.81 0.00 0.00 175.30 175.48 1s8n s ASP 72 N 2.01 4.62 0.36 -2.12 1.47 -1.25 -3.19 116.67 118.58 1s8n s ASP 72 Ca 0.05 2.12 0.04 0.00 1.18 0.00 0.00 52.55 55.94 1s8n s ASP 72 Cb -0.12 -2.56 0.69 0.00 -0.34 0.00 0.00 42.92 40.58 1s8n s ASP 72 CO -0.05 -1.96 1.98 1.23 0.68 0.00 0.00 175.17 177.05 1s8n h GLY 73 N -0.27 0.70 0.89 2.12 0.00 -1.50 -1.13 103.07 103.88 1s8n h GLY 73 Ca -0.47 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 46.47 1s8n h GLY 73 CO 0.52 0.30 -0.16 1.19 0.00 0.00 0.00 176.54 178.38 1s8n h ILE 74 N 0.66 1.30 -0.28 2.60 6.09 -1.77 0.65 117.51 126.76 1s8n h ILE 74 Ca 0.17 -1.27 0.02 0.00 -1.37 0.00 0.00 64.86 62.41 1s8n h ILE 74 Cb 0.05 1.56 -0.02 0.00 0.47 0.00 0.00 36.82 38.88 1s8n h ILE 74 CO -0.02 0.40 0.14 -0.78 -3.07 0.00 0.00 178.15 174.82 1s8n h ASP 75 N 0.30 0.21 -0.55 2.19 3.58 -1.81 0.32 116.42 120.67 1s8n h ASP 75 Ca 0.06 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.46 1s8n h ASP 75 Cb 0.68 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.68 1s8n h ASP 75 CO 0.05 0.16 0.10 0.00 -2.88 0.00 0.00 179.24 176.67 1s8n h ALA 76 N 1.14 0.72 -0.67 -0.78 0.00 -1.09 -2.12 119.26 116.46 1s8n h ALA 76 Ca 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1s8n h ALA 76 Cb 0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1s8n h ALA 76 CO -0.08 0.45 0.37 0.00 0.00 0.00 0.00 179.25 180.00 1s8n h ALA 77 N 1.00 0.86 -0.81 0.00 0.00 0.47 -0.70 119.26 120.08 1s8n h ALA 77 Ca 0.17 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1s8n h ALA 77 Cb 0.38 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1s8n h ALA 77 CO 0.01 0.38 0.36 0.77 0.00 0.00 0.00 179.25 180.76 1s8n h SER 78 N 0.92 1.09 -0.30 0.00 0.02 -0.77 -0.49 113.55 114.02 1s8n h SER 78 Ca 0.24 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1s8n h SER 78 Cb 0.04 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1s8n h SER 78 CO -0.04 0.94 0.06 -0.08 -1.14 0.00 0.00 176.83 176.57 1s8n h GLU 79 N 1.17 0.49 -0.73 3.45 4.57 -0.90 -1.97 114.58 120.65 1s8n h GLU 79 Ca 0.27 -0.12 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1s8n h GLU 79 Cb 0.17 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 1s8n h GLU 79 CO -0.03 0.58 0.45 0.82 -1.18 0.00 0.00 179.01 179.65 1s8n h ILE 80 N 0.32 1.20 -0.93 2.32 2.04 -0.86 -2.73 117.51 118.87 1s8n h ILE 80 Ca 0.09 -0.43 0.05 0.00 1.00 0.00 0.00 64.86 65.57 1s8n h ILE 80 Cb 0.32 0.17 -0.06 0.00 -0.74 0.00 0.00 36.82 36.51 1s8n h ILE 80 CO 0.00 0.21 0.60 0.00 0.00 0.00 0.00 178.15 178.96 1s8n h ALA 81 N 1.24 1.25 0.00 1.87 0.00 -0.99 -2.28 119.26 120.34 1s8n h ALA 81 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1s8n h ALA 81 Cb -0.05 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1s8n h ALA 81 CO -0.05 0.42 0.00 0.66 0.00 0.00 0.00 179.25 180.28 1s8n h SER 82 N 1.13 0.00 0.31 0.00 4.64 -1.04 -1.80 113.55 116.79 1s8n h SER 82 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1s8n h SER 82 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1s8n h SER 82 CO -0.14 0.00 -0.45 0.29 -0.87 0.00 0.00 176.83 175.66 1s8n n LYS 83 N -3.03 0.43 -3.80 4.77 4.76 -0.87 -4.96 118.16 115.46 1s8n n LYS 83 Ca -0.00 -0.27 -0.27 0.00 -2.87 0.00 0.00 58.31 54.89 1s8n n LYS 83 Cb 0.25 -1.49 0.04 0.00 -1.84 0.00 0.00 35.03 31.98 1s8n n LYS 83 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1s8n n ARG 84 N -1.04 -5.88 -0.00 1.97 3.00 -0.68 -4.91 116.66 109.12 1s8n n ARG 84 Ca 0.08 0.65 -0.17 0.00 -0.01 0.00 0.00 57.85 58.40 1s8n n ARG 84 Cb 0.35 -5.51 -0.13 0.00 0.00 0.00 0.00 32.46 27.17 1s8n n ARG 84 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1s8n h ILE 85 N -2.15 1.59 -2.29 0.55 2.04 -1.83 -3.50 117.51 111.92 1s8n h ILE 85 Ca -0.59 -2.34 0.06 0.00 1.00 0.00 0.00 64.86 62.99 1s8n h ILE 85 Cb 1.37 3.13 -0.16 0.00 -0.74 0.00 0.00 36.82 40.42 1s8n h ILE 85 CO 0.63 0.65 0.41 0.00 0.00 0.00 0.00 178.15 179.83 1s8n s ALA 86 N -2.56 -1.79 0.61 1.87 0.00 -1.26 -4.87 121.76 113.76 1s8n s ALA 86 Ca -0.15 1.02 -0.18 0.00 0.00 0.00 0.00 51.96 52.64 1s8n s ALA 86 Cb -0.00 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 1s8n s ALA 86 CO 0.78 -0.61 1.24 -1.25 0.00 0.00 0.00 175.76 175.91 1s8n s PRO 87 N -2.74 2.83 -0.07 0.00 0.04 -1.26 -4.84 135.00 128.96 1s8n s PRO 87 Ca 0.01 1.91 0.01 0.00 0.04 0.00 0.00 61.00 62.97 1s8n s PRO 87 Cb -0.01 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.65 1s8n s PRO 87 CO -0.06 -1.34 -0.09 0.42 0.04 0.00 0.00 177.00 175.97 1s8n s ILE 88 N -1.53 0.96 -0.17 0.56 1.01 -1.26 -1.29 121.20 119.48 1s8n s ILE 88 Ca 0.79 -0.34 -0.06 0.00 0.00 0.00 0.00 60.65 61.04 1s8n s ILE 88 Cb -0.33 -0.92 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 1s8n s ILE 88 CO 0.35 0.33 0.02 -0.69 0.00 0.00 0.00 174.94 174.95 1s8n s VAL 89 N 0.96 4.40 -0.23 2.92 1.01 0.04 -1.61 120.40 127.88 1s8n s VAL 89 Ca -0.09 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 61.66 1s8n s VAL 89 Cb -0.15 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 1s8n s VAL 89 CO 0.00 0.47 -0.01 -0.69 0.00 0.00 0.00 175.10 174.88 1s8n s VAL 90 N 0.40 3.63 0.07 2.92 1.01 0.58 -1.03 120.40 127.98 1s8n s VAL 90 Ca 0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 1s8n s VAL 90 Cb -0.13 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 1s8n s VAL 90 CO 0.01 0.37 1.02 -0.76 0.00 0.00 0.00 175.10 175.74 1s8n s LEU 91 N 1.51 4.43 -0.02 3.92 1.43 0.28 -0.89 118.68 129.34 1s8n s LEU 91 Ca 0.06 1.81 -0.15 0.00 -1.03 0.00 0.00 54.13 54.82 1s8n s LEU 91 Cb -0.15 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.51 1s8n s LEU 91 CO -0.01 -0.22 0.31 0.28 0.23 0.00 0.00 176.35 176.94 1s8n s THR 92 N 0.52 0.05 0.62 5.49 -1.32 -0.34 -0.58 115.64 120.08 1s8n s THR 92 Ca 0.51 -0.45 -0.18 0.00 -1.21 0.00 0.00 61.69 60.36 1s8n s THR 92 Cb -0.24 -0.60 -0.02 0.00 -1.51 0.00 0.00 72.50 70.12 1s8n s THR 92 CO 0.30 -0.25 1.23 0.00 -2.21 0.00 0.00 174.62 173.69 1s8n s ALA 93 N -1.24 2.47 0.24 11.08 0.00 -1.26 -0.77 121.76 132.28 1s8n s ALA 93 Ca -0.13 1.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.83 1s8n s ALA 93 Cb -0.05 -3.48 0.46 0.00 0.00 0.00 0.00 23.12 20.05 1s8n s ALA 93 CO 0.04 -1.32 1.70 0.35 0.00 0.00 0.00 175.76 176.53 1s8n h PHE 94 N 0.70 0.38 0.00 0.00 3.57 -1.96 -1.05 116.94 118.58 1s8n h PHE 94 Ca -0.50 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1s8n h PHE 94 Cb 1.31 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.99 1s8n h PHE 94 CO 0.45 -0.02 0.00 -1.13 -2.23 0.00 0.00 178.31 175.38 1s8n n SER 95 N -5.09 0.17 -0.77 0.41 3.41 -1.26 -2.17 113.62 108.33 1s8n n SER 95 Ca 0.14 0.54 0.08 0.00 -0.26 0.00 0.00 58.87 59.36 1s8n n SER 95 Cb 0.44 -0.57 0.15 0.00 -0.26 0.00 0.00 64.21 63.97 1s8n n SER 95 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s8n n GLN 96 N -1.68 2.13 -0.01 4.33 6.02 -0.41 -4.62 117.38 123.13 1s8n n GLN 96 Ca 0.04 -1.91 0.22 0.00 -0.01 0.00 0.00 57.00 55.34 1s8n n GLN 96 Cb 0.22 -1.34 0.72 0.00 1.02 0.00 0.00 30.24 30.86 1s8n n GLN 96 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1s8n h ARG 97 N 2.87 0.00 0.00 -1.09 0.11 -1.27 -1.13 114.38 113.87 1s8n h ARG 97 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 1s8n h ARG 97 Cb 0.74 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.82 1s8n h ARG 97 CO 0.00 0.00 -0.14 -0.44 0.10 0.00 0.00 179.97 179.49 1s8n h ASP 98 N 0.00 0.00 -0.19 0.08 3.32 -1.83 -1.51 116.42 116.28 1s8n h ASP 98 Ca 0.27 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 1s8n h ASP 98 Cb 1.17 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 1s8n h ASP 98 CO -0.00 0.14 0.04 -0.07 -1.72 0.00 0.00 179.24 177.63 1s8n h LEU 99 N 0.00 0.36 0.21 1.55 3.38 -1.56 -0.60 115.31 118.65 1s8n h LEU 99 Ca -0.00 -0.05 -0.34 0.00 0.09 0.00 0.00 57.88 57.58 1s8n h LEU 99 Cb 0.55 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 41.23 1s8n h LEU 99 CO 0.02 0.39 -1.64 0.58 0.09 0.00 0.00 178.44 177.88 1s8n h VAL 100 N 0.39 1.08 -0.97 1.22 2.07 -1.44 -3.25 116.25 115.36 1s8n h VAL 100 Ca 0.09 -2.61 0.20 0.00 0.82 0.00 0.00 66.70 65.20 1s8n h VAL 100 Cb 0.19 2.87 -0.11 0.00 -1.52 0.00 0.00 31.29 32.72 1s8n h VAL 100 CO -0.00 0.84 0.56 -0.33 0.02 0.00 0.00 177.57 178.66 1s8n h GLU 101 N 0.12 0.65 -0.37 1.57 4.39 -1.22 -1.99 114.58 117.72 1s8n h GLU 101 Ca -0.30 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1s8n h GLU 101 Cb 2.12 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.62 1s8n h GLU 101 CO 0.21 0.43 0.00 0.54 -1.16 0.00 0.00 179.01 179.03 1s8n n ARG 102 N -4.84 1.75 0.00 2.33 1.74 -0.25 -3.81 116.66 113.59 1s8n n ARG 102 Ca 0.23 -0.98 0.00 0.00 -0.77 0.00 0.00 57.85 56.33 1s8n n ARG 102 Cb 0.60 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.73 1s8n n ARG 102 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s8n n ALA 103 N 0.26 0.71 0.52 7.54 0.00 -0.81 -4.53 120.51 124.21 1s8n n ALA 103 Ca 0.09 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.59 1s8n n ALA 103 Cb 0.29 0.01 0.28 0.00 0.00 0.00 0.00 19.45 20.04 1s8n n ALA 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1s8n n ARG 104 N -0.53 0.14 0.11 0.00 1.74 -0.85 -1.30 116.66 115.97 1s8n n ARG 104 Ca 0.00 0.20 0.04 0.00 -0.77 0.00 0.00 57.85 57.32 1s8n n ARG 104 Cb 0.02 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.17 1s8n n ARG 104 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1s8n n ASP 105 N -1.32 0.20 -0.00 0.55 9.92 -1.26 -2.16 116.55 122.47 1s8n n ASP 105 Ca 0.05 0.43 0.06 0.00 -0.53 0.00 0.00 54.79 54.81 1s8n n ASP 105 Cb 0.10 -0.38 -0.09 0.00 -0.64 0.00 0.00 41.12 40.11 1s8n n ASP 105 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1s8n n ALA 106 N -1.44 3.13 0.00 2.24 0.00 -0.42 -5.10 120.51 118.93 1s8n n ALA 106 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1s8n n ALA 106 Cb 0.33 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1s8n n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s8n n GLY 107 N 1.51 0.46 3.58 0.00 0.00 -0.92 -4.38 105.19 105.44 1s8n n GLY 107 Ca 0.00 -1.85 -0.40 0.00 0.00 0.00 0.00 46.02 43.77 1s8n n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s8n s ALA 108 N -1.14 3.53 0.18 4.61 0.00 -1.26 -4.39 121.76 123.29 1s8n s ALA 108 Ca 0.00 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 50.89 1s8n s ALA 108 Cb 0.00 -2.78 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 1s8n s ALA 108 CO 0.00 -0.87 0.28 0.00 0.00 0.00 0.00 175.76 175.17 1s8n s MET 109 N 2.08 1.20 0.07 0.00 0.23 -1.26 -4.24 119.30 117.37 1s8n s MET 109 Ca 0.14 -1.24 0.05 0.00 -1.03 0.00 0.00 55.69 53.60 1s8n s MET 109 Cb -0.16 0.37 -0.03 0.00 -1.53 0.00 0.00 34.83 33.48 1s8n s MET 109 CO 0.11 -0.44 -0.14 0.00 -2.03 0.00 0.00 175.02 172.52 1s8n s ALA 110 N -4.00 1.16 0.28 3.16 0.00 -0.63 -4.89 121.76 116.84 1s8n s ALA 110 Ca 0.20 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 1s8n s ALA 110 Cb 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1s8n s ALA 110 CO 0.02 0.17 0.51 1.52 0.00 0.00 0.00 175.76 177.99 1s8n s TYR 111 N -1.21 3.49 -0.08 0.00 -0.85 -1.26 -0.31 117.35 117.13 1s8n s TYR 111 Ca -0.02 0.49 -0.00 0.00 -0.52 0.00 0.00 57.07 57.02 1s8n s TYR 111 Cb -0.10 -1.98 0.02 0.00 0.38 0.00 0.00 41.96 40.28 1s8n s TYR 111 CO 0.02 0.21 -0.05 -1.17 -1.52 0.00 0.00 175.55 173.05 1s8n s LEU 112 N -3.69 1.06 0.09 -3.49 2.96 -0.06 -4.84 118.68 110.70 1s8n s LEU 112 Ca 0.41 -0.18 -0.30 0.00 -0.22 0.00 0.00 54.13 53.84 1s8n s LEU 112 Cb -0.10 -0.60 -0.06 0.00 0.50 0.00 0.00 46.19 45.93 1s8n s LEU 112 CO 0.31 -0.11 1.09 -0.69 -1.32 0.00 0.00 176.35 175.63 1s8n s VAL 113 N 1.50 4.23 0.17 1.68 1.01 -1.26 -1.20 120.40 126.53 1s8n s VAL 113 Ca -0.01 1.71 -0.05 0.00 0.00 0.00 0.00 61.98 63.63 1s8n s VAL 113 Cb -0.13 -4.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 1s8n s VAL 113 CO -0.04 0.20 0.41 -0.54 0.00 0.00 0.00 175.10 175.13 1s8n s LYS 114 N 0.50 3.63 0.61 2.72 1.02 0.05 -3.98 119.74 124.29 1s8n s LYS 114 Ca 0.53 -0.06 -0.17 0.00 0.02 0.00 0.00 55.97 56.30 1s8n s LYS 114 Cb -0.27 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.21 1s8n s LYS 114 CO 0.31 0.43 1.11 -1.25 -0.92 0.00 0.00 175.35 175.03 1s8n s PRO 115 N -2.78 3.05 0.09 -1.68 0.04 -1.26 -4.40 135.00 128.06 1s8n s PRO 115 Ca 0.42 1.47 0.02 0.00 0.04 0.00 0.00 61.00 62.94 1s8n s PRO 115 Cb -0.12 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1s8n s PRO 115 CO 0.25 -1.07 -0.07 -0.59 0.04 0.00 0.00 177.00 175.56 1s8n s PHE 116 N -2.12 0.86 0.47 0.56 -0.12 -1.26 -5.13 117.98 111.24 1s8n s PHE 116 Ca 0.69 -0.83 0.02 0.00 -0.05 0.00 0.00 56.93 56.76 1s8n s PHE 116 Cb -0.22 -0.50 -0.02 0.00 -0.63 0.00 0.00 43.02 41.65 1s8n s PHE 116 CO 0.35 -0.13 0.03 -1.54 -0.05 0.00 0.00 175.22 173.88 1s8n s SER 117 N -2.75 3.78 0.39 1.98 1.04 -1.26 -5.02 113.70 111.85 1s8n s SER 117 Ca 0.08 -1.62 0.08 0.00 0.48 0.00 0.00 55.95 54.97 1s8n s SER 117 Cb 0.02 0.39 0.83 0.00 0.10 0.00 0.00 66.02 67.37 1s8n s SER 117 CO -0.04 -0.81 1.99 -0.29 0.98 0.00 0.00 173.24 175.07 1s8n h ILE 118 N 1.51 1.01 0.00 -1.02 6.09 -1.98 -0.38 117.51 122.75 1s8n h ILE 118 Ca -0.42 -0.22 -0.02 0.00 -1.37 0.00 0.00 64.86 62.83 1s8n h ILE 118 Cb 1.30 0.32 -0.00 0.00 0.47 0.00 0.00 36.82 38.91 1s8n h ILE 118 CO 0.71 0.12 -0.09 0.77 -3.07 0.00 0.00 178.15 176.59 1s8n h SER 119 N 0.63 0.00 0.24 2.19 4.64 -2.01 -1.82 113.55 117.42 1s8n h SER 119 Ca 0.27 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.24 1s8n h SER 119 Cb 0.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1s8n h SER 119 CO -0.08 0.09 -1.85 0.44 -0.87 0.00 0.00 176.83 174.56 1s8n h ASP 120 N 0.00 0.37 -0.43 4.97 3.32 -1.52 -3.40 116.42 119.73 1s8n h ASP 120 Ca -0.00 -0.74 -0.14 0.00 0.02 0.00 0.00 57.03 56.18 1s8n h ASP 120 Cb 0.33 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1s8n h ASP 120 CO 0.01 1.65 -0.27 0.25 -1.72 0.00 0.00 179.24 179.16 1s8n h LEU 121 N 0.07 0.98 -0.15 1.55 5.85 -0.74 -3.05 115.31 119.81 1s8n h LEU 121 Ca -0.36 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 57.92 1s8n h LEU 121 Cb 2.04 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.79 1s8n h LEU 121 CO 0.11 1.19 0.06 0.40 -0.34 0.00 0.00 178.44 179.86 1s8n h ILE 122 N 0.77 1.16 -0.41 4.05 1.08 -1.55 0.11 117.51 122.71 1s8n h ILE 122 Ca 0.09 -0.49 -0.01 0.00 -0.39 0.00 0.00 64.86 64.07 1s8n h ILE 122 Cb 0.85 1.21 -0.02 0.00 -3.07 0.00 0.00 36.82 35.79 1s8n h ILE 122 CO 0.07 0.15 0.23 -0.65 -0.69 0.00 0.00 178.15 177.27 1s8n h PRO 123 N 0.08 0.56 -0.58 2.37 0.11 -1.77 -1.34 132.00 131.44 1s8n h PRO 123 Ca 0.05 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 1s8n h PRO 123 Cb 0.18 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 1s8n h PRO 123 CO -0.00 0.41 0.05 0.00 -0.21 0.00 0.00 178.00 178.24 1s8n h ALA 124 N 1.69 1.00 -0.46 -0.75 0.00 -1.23 -1.07 119.26 118.44 1s8n h ALA 124 Ca 0.15 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1s8n h ALA 124 Cb 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1s8n h ALA 124 CO -0.03 0.62 0.12 0.82 0.00 0.00 0.00 179.25 180.78 1s8n h ILE 125 N 0.90 1.23 -0.99 0.00 2.04 -0.65 -0.52 117.51 119.52 1s8n h ILE 125 Ca 0.17 -0.82 0.01 0.00 1.00 0.00 0.00 64.86 65.22 1s8n h ILE 125 Cb 0.46 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 1s8n h ILE 125 CO 0.02 0.29 0.64 -0.33 0.00 0.00 0.00 178.15 178.77 1s8n h GLU 126 N 0.62 1.31 -0.31 2.37 5.08 -0.99 0.24 114.58 122.90 1s8n h GLU 126 Ca 0.15 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1s8n h GLU 126 Cb 0.32 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1s8n h GLU 126 CO 0.00 0.88 -0.01 1.25 -1.00 0.00 0.00 179.01 180.13 1s8n h LEU 127 N 1.35 0.55 -0.57 1.33 5.85 -0.94 -1.27 115.31 121.61 1s8n h LEU 127 Ca 0.36 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1s8n h LEU 127 Cb -0.13 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1s8n h LEU 127 CO -0.08 0.74 0.19 0.00 -0.34 0.00 0.00 178.44 178.95 1s8n h ALA 128 N 0.84 0.75 -0.63 1.25 0.00 -0.57 -1.80 119.26 119.09 1s8n h ALA 128 Ca 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1s8n h ALA 128 Cb 0.46 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1s8n h ALA 128 CO 0.02 0.40 0.37 0.28 0.00 0.00 0.00 179.25 180.32 1s8n h VAL 129 N 0.80 1.19 -0.23 0.00 2.07 -0.92 -1.45 116.25 117.71 1s8n h VAL 129 Ca 0.18 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1s8n h VAL 129 Cb 0.27 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1s8n h VAL 129 CO -0.01 0.20 0.15 -1.28 0.02 0.00 0.00 177.57 176.65 1s8n h SER 130 N 0.86 0.26 -0.53 0.57 0.87 -0.94 -0.05 113.55 114.58 1s8n h SER 130 Ca 0.23 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.72 1s8n h SER 130 Cb -0.00 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 1s8n h SER 130 CO -0.04 0.19 0.11 0.03 -0.53 0.00 0.00 176.83 176.58 1s8n h ARG 131 N 0.31 0.91 -0.27 2.24 3.08 -1.20 -0.51 114.38 118.94 1s8n h ARG 131 Ca 0.09 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1s8n h ARG 131 Cb -0.03 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1s8n h ARG 131 CO -0.02 0.84 0.11 0.35 -1.07 0.00 0.00 179.97 180.18 1s8n h PHE 132 N 0.87 0.40 -0.48 3.04 3.57 -1.05 -1.59 116.94 121.71 1s8n h PHE 132 Ca 0.18 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1s8n h PHE 132 Cb 0.36 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1s8n h PHE 132 CO 0.02 0.41 0.17 0.00 -2.23 0.00 0.00 178.31 176.68 1s8n h ARG 133 N 0.28 0.69 -0.43 1.11 3.08 -0.66 0.05 114.38 118.50 1s8n h ARG 133 Ca 0.09 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1s8n h ARG 133 Cb 0.17 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1s8n h ARG 133 CO -0.01 0.59 0.16 1.49 -1.07 0.00 0.00 179.97 181.13 1s8n h GLU 134 N 0.68 0.65 -0.22 0.04 4.81 -0.85 0.13 114.58 119.83 1s8n h GLU 134 Ca 0.16 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1s8n h GLU 134 Cb 0.17 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1s8n h GLU 134 CO -0.01 0.61 0.13 0.82 -0.73 0.00 0.00 179.01 179.83 1s8n h ILE 135 N 0.55 1.09 -0.09 2.32 1.08 -0.58 -1.28 117.51 120.59 1s8n h ILE 135 Ca 0.14 -0.23 -0.14 0.00 -0.39 0.00 0.00 64.86 64.24 1s8n h ILE 135 Cb 0.21 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 1s8n h ILE 135 CO -0.01 0.09 -0.56 0.71 -0.69 0.00 0.00 178.15 177.70 1s8n h THR 136 N 0.26 1.36 -0.65 -0.27 1.35 -0.90 -0.08 112.91 113.97 1s8n h THR 136 Ca 0.08 -1.86 -0.05 0.00 -0.55 0.00 0.00 66.41 64.03 1s8n h THR 136 Cb 0.03 1.91 -0.03 0.00 -1.73 0.00 0.00 68.15 68.33 1s8n h THR 136 CO -0.01 0.55 0.22 0.00 -0.25 0.00 0.00 175.52 176.03 1s8n h ALA 137 N 1.21 0.86 -0.08 6.62 0.00 -0.83 -2.29 119.26 124.74 1s8n h ALA 137 Ca 0.00 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 1s8n h ALA 137 Cb 1.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1s8n h ALA 137 CO 0.09 0.52 -0.65 -0.07 0.00 0.00 0.00 179.25 179.13 1s8n h LEU 138 N 0.94 0.39 -1.49 0.00 3.38 -0.88 -0.54 115.31 117.11 1s8n h LEU 138 Ca 0.21 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1s8n h LEU 138 Cb 0.28 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1s8n h LEU 138 CO -0.01 0.93 0.30 -0.33 0.09 0.00 0.00 178.44 179.43 1s8n h GLU 139 N 0.24 0.65 0.02 1.13 4.39 -0.85 -2.60 114.58 117.56 1s8n h GLU 139 Ca -0.01 -0.05 -0.30 0.00 0.34 0.00 0.00 59.36 59.34 1s8n h GLU 139 Cb 1.19 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.65 1s8n h GLU 139 CO 0.11 0.45 -1.73 0.78 -1.16 0.00 0.00 179.01 177.45 1s8n h GLY 140 N 0.69 0.04 0.64 -3.84 0.00 -1.06 -3.40 103.07 96.14 1s8n h GLY 140 Ca 0.18 -0.11 -0.33 0.00 0.00 0.00 0.00 47.33 47.06 1s8n h GLY 140 CO -0.04 0.10 -1.96 -2.21 0.00 0.00 0.00 176.54 172.43 1s8n n GLU 141 N -3.11 0.68 -3.73 4.80 2.13 -0.24 -4.88 120.64 116.28 1s8n n GLU 141 Ca -0.19 0.23 -0.35 0.00 0.66 0.00 0.00 57.16 57.51 1s8n n GLU 141 Cb 1.05 -1.70 -0.09 0.00 0.27 0.00 0.00 31.44 30.97 1s8n n GLU 141 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1s8n s VAL 142 N -2.56 5.35 0.13 6.31 1.01 -0.98 -5.01 120.40 124.64 1s8n s VAL 142 Ca -0.13 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 61.89 1s8n s VAL 142 Cb 0.07 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1s8n s VAL 142 CO 0.79 0.41 1.52 0.00 0.00 0.00 0.00 175.10 177.82 1s8n h ALA 143 N 6.94 0.56 -3.00 5.51 0.00 -1.90 -3.46 119.26 123.92 1s8n h ALA 143 Ca -0.40 -0.34 -0.61 0.00 0.00 0.00 0.00 54.91 53.57 1s8n h ALA 143 Cb 1.16 -0.14 -0.18 0.00 0.00 0.00 0.00 17.79 18.63 1s8n h ALA 143 CO 0.72 0.47 -0.80 0.95 0.00 0.00 0.00 179.25 180.59 1s8n s THR 144 N -4.72 2.19 0.20 0.00 -4.23 -1.26 -5.05 115.64 102.78 1s8n s THR 144 Ca -0.12 -2.03 -0.10 0.00 -1.18 0.00 0.00 61.69 58.25 1s8n s THR 144 Cb 0.10 -2.05 0.14 0.00 1.34 0.00 0.00 72.50 72.04 1s8n s THR 144 CO 0.83 -0.21 1.84 0.25 -0.54 0.00 0.00 174.62 176.79 1s8n h LEU 145 N 3.12 0.89 -0.47 4.79 5.85 -1.98 -0.14 115.31 127.36 1s8n h LEU 145 Ca -0.44 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.12 1s8n h LEU 145 Cb 1.21 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1s8n h LEU 145 CO 0.50 0.69 -0.05 0.77 -0.34 0.00 0.00 178.44 180.02 1s8n h SER 146 N 1.00 0.86 -0.93 1.25 4.64 -2.00 -0.59 113.55 117.78 1s8n h SER 146 Ca 0.26 -0.33 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1s8n h SER 146 Cb -0.03 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 61.78 1s8n h SER 146 CO -0.05 0.99 0.57 -0.33 -0.87 0.00 0.00 176.83 177.14 1s8n h GLU 147 N 0.72 1.26 -0.48 4.77 5.08 -1.94 -3.05 114.58 120.95 1s8n h GLU 147 Ca 0.13 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1s8n h GLU 147 Cb 0.57 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1s8n h GLU 147 CO 0.03 0.88 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.80 1s8n h ARG 148 N 1.29 0.87 -0.63 2.33 2.43 -0.10 0.13 114.38 120.68 1s8n h ARG 148 Ca 0.34 -0.29 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1s8n h ARG 148 Cb -0.06 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 1s8n h ARG 148 CO -0.06 0.92 0.40 -0.07 -1.51 0.00 0.00 179.97 179.65 1s8n h LEU 149 N 0.72 0.68 -0.21 3.80 3.38 -1.06 0.73 115.31 123.35 1s8n h LEU 149 Ca 0.13 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 1s8n h LEU 149 Cb 0.55 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1s8n h LEU 149 CO 0.03 0.48 -0.70 -0.33 0.09 0.00 0.00 178.44 178.01 1s8n h GLU 150 N 0.81 0.00 -0.30 1.13 4.39 -1.38 -2.29 114.58 116.93 1s8n h GLU 150 Ca 0.24 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.83 1s8n h GLU 150 Cb -0.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1s8n h GLU 150 CO -0.08 0.70 -0.24 1.15 -1.16 0.00 0.00 179.01 179.38 1s8n h THR 151 N 0.00 1.30 -0.44 1.13 2.02 -0.34 -1.42 112.91 115.15 1s8n h THR 151 Ca -0.01 -1.39 0.07 0.00 0.77 0.00 0.00 66.41 65.86 1s8n h THR 151 Cb 1.44 1.52 -0.06 0.00 -1.74 0.00 0.00 68.15 69.31 1s8n h THR 151 CO 0.09 0.45 0.09 -0.09 0.37 0.00 0.00 175.52 176.43 1s8n h ARG 152 N 0.45 0.22 -0.92 6.66 2.43 -0.75 0.47 114.38 122.94 1s8n h ARG 152 Ca 0.06 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1s8n h ARG 152 Cb 0.80 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.25 1s8n h ARG 152 CO 0.06 0.15 0.56 0.87 -1.51 0.00 0.00 179.97 180.10 1s8n h LYS 153 N 0.23 1.25 -0.28 0.20 1.57 -1.19 -0.22 116.57 118.12 1s8n h LYS 153 Ca 0.22 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1s8n h LYS 153 Cb 0.27 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1s8n h LYS 153 CO -0.28 0.87 0.04 1.25 -0.57 0.00 0.00 179.45 180.76 1s8n h LEU 154 N 1.27 0.46 -0.80 2.94 5.85 -0.70 -1.32 115.31 123.01 1s8n h LEU 154 Ca 0.33 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1s8n h LEU 154 Cb -0.06 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 1s8n h LEU 154 CO -0.06 0.61 0.52 0.58 -0.34 0.00 0.00 178.44 179.74 1s8n h VAL 155 N 0.29 1.15 -0.74 1.05 2.07 -0.56 -0.27 116.25 119.24 1s8n h VAL 155 Ca 0.09 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 1s8n h VAL 155 Cb 0.35 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 1s8n h VAL 155 CO 0.01 0.19 0.25 -0.33 0.02 0.00 0.00 177.57 177.70 1s8n h GLU 156 N 1.03 1.14 -0.61 1.57 4.39 -0.83 0.12 114.58 121.39 1s8n h GLU 156 Ca 0.31 -0.24 -0.05 0.00 0.34 0.00 0.00 59.36 59.73 1s8n h GLU 156 Cb -0.03 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.42 1s8n h GLU 156 CO -0.10 0.96 0.19 0.00 -1.16 0.00 0.00 179.01 178.90 1s8n h ARG 157 N 1.09 0.95 -0.37 2.33 3.08 -0.77 -1.64 114.38 119.05 1s8n h ARG 157 Ca 0.24 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 1s8n h ARG 157 Cb 0.29 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1s8n h ARG 157 CO -0.01 0.85 -0.05 0.00 -1.07 0.00 0.00 179.97 179.69 1s8n h ALA 158 N 1.06 0.51 -0.42 0.04 0.00 -0.61 -2.01 119.26 117.82 1s8n h ALA 158 Ca 0.20 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.91 1s8n h ALA 158 Cb 0.30 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 1s8n h ALA 158 CO -0.01 0.33 -0.09 0.87 0.00 0.00 0.00 179.25 180.35 1s8n h LYS 159 N 0.50 0.01 -1.00 0.00 1.57 -0.71 -1.11 116.57 115.84 1s8n h LYS 159 Ca 0.10 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1s8n h LYS 159 Cb 0.54 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.79 1s8n h LYS 159 CO 0.03 0.01 0.65 0.78 -0.57 0.00 0.00 179.45 180.35 1s8n h GLY 160 N 0.02 1.47 1.00 3.86 0.00 -0.97 0.40 103.07 108.85 1s8n h GLY 160 Ca 0.21 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 1s8n h GLY 160 CO -0.42 0.41 -0.20 1.41 0.00 0.00 0.00 176.54 177.74 1s8n h LEU 161 N 1.25 0.82 -0.98 3.11 3.38 -0.85 -0.87 115.31 121.17 1s8n h LEU 161 Ca 0.40 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1s8n h LEU 161 Cb 0.04 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1s8n h LEU 161 CO -0.13 1.05 0.37 -0.07 0.09 0.00 0.00 178.44 179.74 1s8n h LEU 162 N 0.58 1.00 0.17 1.67 3.38 -0.67 0.22 115.31 121.65 1s8n h LEU 162 Ca 0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1s8n h LEU 162 Cb 0.75 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1s8n h LEU 162 CO 0.06 0.84 -0.08 1.56 0.09 0.00 0.00 178.44 180.91 1s8n h GLN 163 N 1.09 -0.21 -0.08 1.13 4.20 -0.73 -1.86 115.11 118.65 1s8n h GLN 163 Ca 0.27 0.01 -0.19 0.00 0.06 0.00 0.00 58.65 58.80 1s8n h GLN 163 Cb 0.11 0.05 0.01 0.00 0.30 0.00 0.00 27.48 27.95 1s8n h GLN 163 CO -0.03 -0.02 -0.68 1.79 -0.67 0.00 0.00 178.83 179.22 1s8n h THR 164 N -0.37 1.34 0.00 -0.54 1.35 -1.02 -1.42 112.91 112.26 1s8n h THR 164 Ca -0.02 -1.98 -0.18 0.00 -0.55 0.00 0.00 66.41 63.68 1s8n h THR 164 Cb 0.29 2.25 -0.03 0.00 -1.73 0.00 0.00 68.15 68.93 1s8n h THR 164 CO 0.04 0.60 -1.10 0.11 -0.25 0.00 0.00 175.52 174.92 1s8n h LYS 165 N 0.22 0.00 -0.02 4.72 1.79 -0.66 -3.35 116.57 119.27 1s8n h LYS 165 Ca -0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1s8n h LYS 165 Cb 1.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 1s8n h LYS 165 CO 0.14 0.55 0.00 0.72 -1.08 0.00 0.00 179.45 179.78 1s8n n HIS 166 N -3.12 0.03 -1.45 -1.35 8.25 -0.71 -5.02 115.22 111.85 1s8n n HIS 166 Ca -0.05 -0.10 -0.02 0.00 -0.26 0.00 0.00 57.72 57.29 1s8n n HIS 166 Cb 0.87 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.97 1s8n n HIS 166 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s8n n GLY 167 N 0.09 0.44 3.86 -1.41 0.00 -0.55 -4.97 105.19 102.65 1s8n n GLY 167 Ca 0.02 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 1s8n n GLY 167 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s8n s MET 168 N -2.95 3.91 0.86 1.61 -1.94 -1.13 -5.00 119.30 114.65 1s8n s MET 168 Ca 0.00 0.55 -0.12 0.00 -1.71 0.00 0.00 55.69 54.42 1s8n s MET 168 Cb 0.00 -2.45 0.11 0.00 2.01 0.00 0.00 34.83 34.50 1s8n s MET 168 CO 0.00 0.12 1.10 0.95 -0.01 0.00 0.00 175.02 177.17 1s8n s THR 169 N -2.08 2.75 0.12 2.05 -4.23 -1.26 -4.30 115.64 108.68 1s8n s THR 169 Ca 0.52 0.24 -0.18 0.00 -1.18 0.00 0.00 61.69 61.09 1s8n s THR 169 Cb -0.10 -2.85 -0.04 0.00 1.34 0.00 0.00 72.50 70.84 1s8n s THR 169 CO 0.22 -0.32 1.71 -0.08 -0.54 0.00 0.00 174.62 175.61 1s8n h GLU 170 N -1.38 0.40 -0.87 3.99 4.81 -1.98 -0.16 114.58 119.40 1s8n h GLU 170 Ca -0.49 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1s8n h GLU 170 Cb 1.28 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.54 1s8n h GLU 170 CO 0.57 0.36 0.53 -1.35 -0.73 0.00 0.00 179.01 178.39 1s8n h PRO 171 N 0.34 1.17 -0.18 0.92 0.11 -1.93 -1.96 132.00 130.48 1s8n h PRO 171 Ca 0.10 -0.10 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 1s8n h PRO 171 Cb 0.08 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 1s8n h PRO 171 CO -0.01 0.82 -0.27 -0.44 -0.21 0.00 0.00 178.00 177.88 1s8n h ASP 172 N 1.19 0.33 -0.22 -2.05 3.32 -1.86 -1.32 116.42 115.81 1s8n h ASP 172 Ca 0.31 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1s8n h ASP 172 Cb -0.06 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1s8n h ASP 172 CO -0.06 0.60 0.05 0.00 -1.72 0.00 0.00 179.24 178.11 1s8n h ALA 173 N 1.42 0.29 -0.52 3.45 0.00 -0.65 -0.74 119.26 122.52 1s8n h ALA 173 Ca 0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1s8n h ALA 173 Cb 0.64 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1s8n h ALA 173 CO 0.05 -0.05 0.17 0.35 0.00 0.00 0.00 179.25 179.76 1s8n h PHE 174 N 0.17 0.82 -0.99 0.00 3.57 -1.26 -2.50 116.94 116.76 1s8n h PHE 174 Ca 0.07 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1s8n h PHE 174 Cb 0.29 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 1s8n h PHE 174 CO 0.01 0.70 0.65 -0.22 -2.23 0.00 0.00 178.31 177.23 1s8n h LYS 175 N 0.70 1.27 -0.12 1.11 1.63 -1.13 -1.07 116.57 118.97 1s8n h LYS 175 Ca 0.17 -0.08 0.04 0.00 -0.85 0.00 0.00 60.65 59.93 1s8n h LYS 175 Cb 0.26 -0.29 -0.04 0.00 -0.60 0.00 0.00 32.23 31.56 1s8n h LYS 175 CO -0.01 0.84 -0.13 2.35 -3.45 0.00 0.00 179.45 179.06 1s8n h TRP 176 N 1.31 -0.32 -0.34 1.91 7.01 -0.89 0.49 115.95 125.12 1s8n h TRP 176 Ca 0.37 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.41 1s8n h TRP 176 Cb -0.11 0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.09 1s8n h TRP 176 CO -0.00 -0.19 0.17 0.82 -2.79 0.00 0.00 178.44 176.45 1s8n h ILE 177 N -0.16 0.99 -0.31 2.65 2.04 -0.95 0.13 117.51 121.90 1s8n h ILE 177 Ca 0.09 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1s8n h ILE 177 Cb 0.28 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1s8n h ILE 177 CO -0.21 0.06 0.19 -0.61 0.00 0.00 0.00 178.15 177.58 1s8n h GLN 178 N 0.35 0.42 -0.26 2.37 4.15 -0.97 -1.08 115.11 120.09 1s8n h GLN 178 Ca 0.14 -0.04 -0.15 0.00 0.77 0.00 0.00 58.65 59.37 1s8n h GLN 178 Cb 0.05 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 1s8n h GLN 178 CO -0.10 0.32 -0.46 0.00 -1.93 0.00 0.00 178.83 176.66 1s8n h ARG 179 N 0.40 0.67 -0.20 1.69 3.08 -0.73 -1.55 114.38 117.74 1s8n h ARG 179 Ca 0.11 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1s8n h ARG 179 Cb 0.01 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1s8n h ARG 179 CO -0.02 0.99 0.13 0.00 -1.07 0.00 0.00 179.97 180.00 1s8n h ALA 180 N 0.95 0.25 -0.84 0.04 0.00 -0.84 -0.07 119.26 118.75 1s8n h ALA 180 Ca 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1s8n h ALA 180 Cb 1.01 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1s8n h ALA 180 CO 0.09 -0.25 0.43 0.00 0.00 0.00 0.00 179.25 179.52 1s8n h ALA 181 N 1.05 1.09 -0.29 0.00 0.00 -1.03 -0.66 119.26 119.43 1s8n h ALA 181 Ca 0.07 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1s8n h ALA 181 Cb -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1s8n h ALA 181 CO -0.01 0.62 -0.11 0.52 0.00 0.00 0.00 179.25 180.27 1s8n h MET 182 N 1.19 0.58 -0.22 0.00 2.07 -1.10 -0.70 114.93 116.75 1s8n h MET 182 Ca 0.29 -0.24 -0.12 0.00 -2.07 0.00 0.00 59.70 57.56 1s8n h MET 182 Cb 0.08 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 29.77 1s8n h MET 182 CO -0.04 0.80 -0.39 0.22 1.07 0.00 0.00 176.91 178.57 1s8n h ASP 183 N 0.33 0.52 0.39 1.22 3.58 -0.77 -2.36 116.42 119.34 1s8n h ASP 183 Ca 0.07 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1s8n h ASP 183 Cb 0.61 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1s8n h ASP 183 CO 0.04 0.86 -0.06 0.54 -2.88 0.00 0.00 179.24 177.73 1s8n n ARG 184 N -4.04 0.64 -3.68 0.28 1.74 -0.27 -4.93 116.66 106.40 1s8n n ARG 184 Ca -0.01 -0.15 -0.22 0.00 -0.77 0.00 0.00 57.85 56.69 1s8n n ARG 184 Cb 0.50 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.47 1s8n n ARG 184 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1s8n n ARG 185 N -1.05 -4.09 0.00 5.56 1.74 -0.67 -4.98 116.66 113.18 1s8n n ARG 185 Ca 0.15 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.83 1s8n n ARG 185 Cb 0.25 -5.04 0.00 0.00 -1.02 0.00 0.00 32.46 26.66 1s8n n ARG 185 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1s8n n THR 186 N -4.19 0.00 -4.32 0.55 5.66 -0.36 -5.05 114.28 106.57 1s8n n THR 186 Ca -0.26 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.49 1s8n n THR 186 Cb 0.66 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.35 1s8n n THR 186 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1s8n s THR 187 N 0.21 3.10 0.28 1.09 -4.23 -1.26 -4.59 115.64 110.24 1s8n s THR 187 Ca 0.00 -1.84 -0.01 0.00 -1.18 0.00 0.00 61.69 58.66 1s8n s THR 187 Cb 0.00 -2.58 0.28 0.00 1.34 0.00 0.00 72.50 71.54 1s8n s THR 187 CO 0.00 -0.21 1.89 0.24 -0.54 0.00 0.00 174.62 176.00 1s8n h MET 188 N 2.61 1.09 -0.33 3.99 2.86 -1.91 -1.80 114.93 121.44 1s8n h MET 188 Ca -0.45 -0.07 0.07 0.00 -2.06 0.00 0.00 59.70 57.19 1s8n h MET 188 Cb 1.22 -0.25 -0.07 0.00 0.06 0.00 0.00 31.60 32.57 1s8n h MET 188 CO 0.56 0.72 -0.11 -0.22 1.06 0.00 0.00 176.91 178.92 1s8n h LYS 189 N 1.13 -0.04 -0.46 1.72 3.64 -1.95 0.12 116.57 120.73 1s8n h LYS 189 Ca 0.43 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.68 1s8n h LYS 189 Cb 0.21 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1s8n h LYS 189 CO -0.17 -0.03 -0.22 0.00 -2.27 0.00 0.00 179.45 176.76 1s8n h ARG 190 N -0.04 0.96 -0.40 1.90 3.08 -1.81 -0.23 114.38 117.83 1s8n h ARG 190 Ca 0.16 -0.42 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 1s8n h ARG 190 Cb 0.29 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1s8n h ARG 190 CO -0.36 1.09 0.23 0.28 -1.07 0.00 0.00 179.97 180.14 1s8n h VAL 191 N 0.80 1.14 -0.74 2.04 2.07 -1.07 -2.09 116.25 118.41 1s8n h VAL 191 Ca 0.10 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 1s8n h VAL 191 Cb 0.80 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1s8n h VAL 191 CO 0.07 0.14 0.26 0.00 0.02 0.00 0.00 177.57 178.06 1s8n h ALA 192 N 1.09 0.96 -0.65 1.67 0.00 -0.52 -0.89 119.26 120.93 1s8n h ALA 192 Ca 0.14 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1s8n h ALA 192 Cb 0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1s8n h ALA 192 CO -0.03 0.62 0.40 1.49 0.00 0.00 0.00 179.25 181.73 1s8n h GLU 193 N 1.08 0.76 -0.28 0.00 4.81 -0.86 -1.09 114.58 119.00 1s8n h GLU 193 Ca 0.24 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.30 1s8n h GLU 193 Cb 0.27 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1s8n h GLU 193 CO -0.01 0.50 -0.34 0.28 -0.73 0.00 0.00 179.01 178.71 1s8n h VAL 194 N 0.79 1.29 -0.35 0.32 2.07 -0.96 -1.40 116.25 118.00 1s8n h VAL 194 Ca 0.26 -1.47 0.03 0.00 0.82 0.00 0.00 66.70 66.34 1s8n h VAL 194 Cb 0.03 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1s8n h VAL 194 CO -0.11 0.47 0.17 0.58 0.02 0.00 0.00 177.57 178.70 1s8n h VAL 195 N 0.51 0.97 -0.58 2.57 2.07 -0.71 -0.39 116.25 120.70 1s8n h VAL 195 Ca 0.06 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.50 1s8n h VAL 195 Cb 0.83 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1s8n h VAL 195 CO 0.07 0.06 0.33 -0.07 0.02 0.00 0.00 177.57 177.98 1s8n h LEU 196 N 0.35 0.50 -1.03 2.57 -0.00 -0.85 0.41 115.31 117.26 1s8n h LEU 196 Ca 0.15 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 58.05 1s8n h LEU 196 Cb 0.07 -0.08 -0.04 0.00 -0.00 0.00 0.00 40.66 40.60 1s8n h LEU 196 CO -0.11 0.34 0.56 -0.33 -0.00 0.00 0.00 178.44 178.90 1s8n h GLU 197 N 0.63 1.22 0.21 1.13 5.08 -0.78 0.79 114.58 122.86 1s8n h GLU 197 Ca 0.25 -0.10 -0.33 0.00 -1.00 0.00 0.00 59.36 58.17 1s8n h GLU 197 Cb 0.11 -0.26 0.02 0.00 0.50 0.00 0.00 28.75 29.12 1s8n h GLU 197 CO -0.14 0.85 -1.58 1.15 -1.00 0.00 0.00 179.01 178.28 1s8n h THR 198 N 1.25 1.11 0.00 1.13 2.02 -0.55 -3.39 112.91 114.47 1s8n h THR 198 Ca 0.33 -2.58 0.00 0.00 0.77 0.00 0.00 66.41 64.93 1s8n h THR 198 Cb -0.07 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 1s8n h THR 198 CO -0.06 0.82 -1.26 0.18 0.37 0.00 0.00 175.52 175.57 1s8n n LEU 199 N -3.69 0.14 -0.06 2.58 4.77 0.09 -5.10 117.00 115.72 1s8n n LEU 199 Ca -0.21 -0.13 0.16 0.00 -0.03 0.00 0.00 56.01 55.79 1s8n n LEU 199 Cb 1.07 0.00 0.90 0.00 -2.33 0.00 0.00 43.42 43.05 1s8n n LEU 199 CO 0.55 0.03 1.08 0.61 -1.33 0.00 0.00 177.39 178.33