#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iai s TRP 5 N 0.00 1.90 0.30 1.57 1.48 -1.26 -4.59 118.94 118.34 3iai s TRP 5 Ca 0.00 1.69 -0.13 0.00 -1.06 0.00 0.00 56.10 56.60 3iai s TRP 5 Cb 0.00 -3.36 0.01 0.00 -1.16 0.00 0.00 33.47 28.96 3iai s TRP 5 CO 0.00 -2.61 0.58 -0.98 -4.06 0.00 0.00 176.95 169.88 3iai s ARG 6 N -4.39 1.80 0.09 3.25 1.70 -1.26 -5.01 118.95 115.13 3iai s ARG 6 Ca 0.69 -1.34 -0.14 0.00 -0.47 0.00 0.00 55.73 54.47 3iai s ARG 6 Cb -0.25 0.52 -0.06 0.00 -0.57 0.00 0.00 34.95 34.59 3iai s ARG 6 CO 0.53 -0.78 0.50 0.71 -1.08 0.00 0.00 175.30 175.17 3iai s TYR 7 N -3.48 3.66 -1.28 5.89 1.51 -1.26 -4.39 117.35 118.01 3iai s TYR 7 Ca 0.20 1.04 -0.05 0.00 -1.01 0.00 0.00 57.07 57.25 3iai s TYR 7 Cb -0.02 -2.34 0.01 0.00 -0.11 0.00 0.00 41.96 39.49 3iai s TYR 7 CO 0.11 0.51 0.71 0.41 -1.11 0.00 0.00 175.55 176.19 3iai n GLY 8 N 1.18 -0.35 0.00 0.71 0.00 -1.26 -4.98 105.19 100.49 3iai n GLY 8 Ca -0.08 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3iai n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iai n GLY 9 N -1.57 0.71 3.69 -0.02 0.00 -1.26 -5.15 105.19 101.59 3iai n GLY 9 Ca -0.06 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 3iai n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iai s ASP 10 N 0.00 3.26 0.48 1.61 1.01 -1.26 -4.59 116.67 117.18 3iai s ASP 10 Ca 0.00 2.28 -0.20 0.00 0.71 0.00 0.00 52.55 55.34 3iai s ASP 10 Cb 0.00 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.27 3iai s ASP 10 CO 0.00 -2.89 1.02 -2.16 0.21 0.00 0.00 175.17 171.36 3iai s PRO 11 N -4.39 3.85 0.24 8.23 0.04 -1.26 -4.60 135.00 137.10 3iai s PRO 11 Ca 0.70 1.31 -0.31 0.00 0.04 0.00 0.00 61.00 62.73 3iai s PRO 11 Cb -0.26 -2.11 -0.13 0.00 0.04 0.00 0.00 34.50 32.05 3iai s PRO 11 CO 0.54 -0.38 1.56 -2.30 0.04 0.00 0.00 177.00 176.46 3iai n PRO 15 N -0.98 2.41 -0.27 0.56 -0.02 -1.26 -4.77 135.00 130.67 3iai n PRO 15 Ca 0.09 0.86 0.10 0.00 -2.02 0.00 0.00 63.50 62.53 3iai n PRO 15 Cb 0.53 -2.62 0.35 0.00 -0.02 0.00 0.00 33.50 31.74 3iai n PRO 15 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 3iai h TRP 16 N 5.15 0.86 0.00 6.00 4.06 -1.93 -0.21 115.95 129.88 3iai h TRP 16 Ca -0.45 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.50 3iai h TRP 16 Cb 1.24 -0.28 -0.00 0.00 -1.00 0.00 0.00 29.16 29.12 3iai h TRP 16 CO 0.59 0.36 -0.09 -1.35 -3.56 0.00 0.00 178.44 174.39 3iai h PRO 17 N 0.77 0.00 0.02 0.49 0.11 -1.87 0.18 132.00 131.69 3iai h PRO 17 Ca 0.43 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 66.30 3iai h PRO 17 Cb 0.57 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.69 3iai h PRO 17 CO -0.19 0.09 -0.99 0.00 -0.21 0.00 0.00 178.00 176.70 3iai h ARG 18 N 0.00 0.44 -0.25 1.05 2.47 -1.40 -3.15 114.38 113.54 3iai h ARG 18 Ca -0.00 -0.49 -0.14 0.00 -1.26 0.00 0.00 59.98 58.09 3iai h ARG 18 Cb 0.28 0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.75 3iai h ARG 18 CO 0.01 1.15 -0.40 0.28 0.56 0.00 0.00 179.97 181.57 3iai h VAL 19 N 0.24 1.31 -2.47 2.04 2.07 -0.90 -3.44 116.25 115.08 3iai h VAL 19 Ca -0.09 -1.60 -0.08 0.00 0.82 0.00 0.00 66.70 65.75 3iai h VAL 19 Cb 1.64 1.72 -0.27 0.00 -1.52 0.00 0.00 31.29 32.86 3iai h VAL 19 CO 0.17 0.51 -0.34 -0.55 0.02 0.00 0.00 177.57 177.38 3iai s SER 20 N -6.67 -0.36 0.37 0.57 0.15 0.52 -5.00 113.70 103.27 3iai s SER 20 Ca -0.12 1.04 0.11 0.00 0.70 0.00 0.00 55.95 57.69 3iai s SER 20 Cb 0.08 1.39 0.90 0.00 -1.71 0.00 0.00 66.02 66.68 3iai s SER 20 CO 0.84 -0.23 1.84 -0.65 1.20 0.00 0.00 173.24 176.25 3iai h PRO 21 N 8.06 0.59 -0.02 5.44 0.11 -1.79 -0.95 132.00 143.43 3iai h PRO 21 Ca -0.18 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.90 3iai h PRO 21 Cb 1.12 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 3iai h PRO 21 CO 0.13 0.39 0.07 0.00 -0.21 0.00 0.00 178.00 178.38 3iai h ALA 22 N 1.61 1.26 0.00 -0.75 0.00 -1.88 -0.78 119.26 118.71 3iai h ALA 22 Ca 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3iai h ALA 22 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3iai h ALA 22 CO -0.23 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 178.94 3iai n ALA 24 N -1.22 2.37 -0.70 0.00 0.00 -0.30 -4.79 120.51 115.88 3iai n ALA 24 Ca 0.08 -1.67 -0.30 0.00 0.00 0.00 0.00 53.44 51.54 3iai n ALA 24 Cb 0.10 -0.40 0.19 0.00 0.00 0.00 0.00 19.45 19.33 3iai n ALA 24 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3iai s GLY 25 N -1.56 1.63 0.42 0.00 0.00 -0.31 -4.94 107.32 102.56 3iai s GLY 25 Ca 0.25 0.29 0.22 0.00 0.00 0.00 0.00 44.72 45.49 3iai s GLY 25 CO 0.08 0.82 1.61 -0.09 0.00 0.00 0.00 173.10 175.52 3iai h ARG 26 N -2.09 0.00 -2.80 2.90 2.43 -1.96 -3.39 114.38 109.47 3iai h ARG 26 Ca -0.50 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.06 3iai h ARG 26 Cb 1.29 0.00 -0.42 0.00 -0.42 0.00 0.00 29.97 30.42 3iai h ARG 26 CO 0.46 0.07 -0.60 1.19 -1.51 0.00 0.00 179.97 179.59 3iai n PHE 27 N -3.12 3.20 -3.15 2.20 3.01 -1.26 -4.74 117.46 113.60 3iai n PHE 27 Ca 0.03 -4.23 -0.18 0.00 1.01 0.00 0.00 57.45 54.08 3iai n PHE 27 Cb 0.54 -0.58 0.01 0.00 -0.01 0.00 0.00 39.48 39.44 3iai n PHE 27 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3iai s GLN 28 N -1.71 2.70 0.16 -1.08 -1.52 -1.26 -3.86 119.66 113.10 3iai s GLN 28 Ca 0.29 -1.36 0.07 0.00 -1.95 0.00 0.00 55.36 52.41 3iai s GLN 28 Cb 0.02 -2.65 -0.04 0.00 -0.22 0.00 0.00 33.01 30.11 3iai s GLN 28 CO -0.13 -0.32 -0.15 -1.12 -0.25 0.00 0.00 175.29 173.32 3iai s SER 29 N -4.33 2.38 0.93 5.90 0.01 -1.26 -4.60 113.70 112.73 3iai s SER 29 Ca 0.54 -0.91 -0.14 0.00 1.31 0.00 0.00 55.95 56.75 3iai s SER 29 Cb -0.08 -0.11 0.19 0.00 0.21 0.00 0.00 66.02 66.22 3iai s SER 29 CO 0.32 -0.13 1.29 -2.16 0.41 0.00 0.00 173.24 172.97 3iai s PRO 30 N -3.10 0.82 0.19 12.44 0.04 -1.26 -4.51 135.00 139.63 3iai s PRO 30 Ca 0.16 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 60.77 3iai s PRO 30 Cb -0.03 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 3iai s PRO 30 CO 0.05 -2.28 0.07 0.14 0.04 0.00 0.00 177.00 175.02 3iai s VAL 31 N -3.81 0.36 -0.18 -0.36 -7.23 -1.26 0.10 120.40 108.03 3iai s VAL 31 Ca 0.72 -1.97 -0.17 0.00 -1.81 0.00 0.00 61.98 58.75 3iai s VAL 31 Cb -0.04 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 3iai s VAL 31 CO 0.52 -0.24 0.45 -0.62 -0.31 0.00 0.00 175.10 174.90 3iai s ASP 32 N -3.18 6.54 -0.24 4.85 3.68 -1.26 -2.94 116.67 124.12 3iai s ASP 32 Ca 0.31 0.64 -0.14 0.00 2.13 0.00 0.00 52.55 55.49 3iai s ASP 32 Cb 0.07 -2.26 -0.04 0.00 -1.45 0.00 0.00 42.92 39.24 3iai s ASP 32 CO 0.08 -0.08 0.33 -0.63 0.13 0.00 0.00 175.17 175.00 3iai s ILE 33 N 1.20 5.22 -0.43 4.11 1.01 0.12 -4.91 121.20 127.52 3iai s ILE 33 Ca 0.22 0.53 -0.05 0.00 0.00 0.00 0.00 60.65 61.35 3iai s ILE 33 Cb -0.15 -3.66 0.11 0.00 0.01 0.00 0.00 42.46 38.77 3iai s ILE 33 CO 0.09 0.23 0.25 -0.13 0.00 0.00 0.00 174.94 175.38 3iai s ARG 34 N 1.60 2.20 0.32 2.79 0.52 -1.26 0.01 118.95 125.12 3iai s ARG 34 Ca 0.15 -1.78 0.08 0.00 -0.52 0.00 0.00 55.73 53.66 3iai s ARG 34 Cb -0.15 -3.71 0.90 0.00 0.52 0.00 0.00 34.95 32.51 3iai s ARG 34 CO 0.08 -1.10 1.66 -1.35 0.02 0.00 0.00 175.30 174.60 3iai h PRO 35 N 8.21 0.26 0.00 3.54 0.11 -1.96 0.42 132.00 142.58 3iai h PRO 35 Ca -0.16 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.89 3iai h PRO 35 Cb 1.06 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3iai h PRO 35 CO 0.76 0.17 -0.21 1.96 -0.21 0.00 0.00 178.00 180.47 3iai h GLN 36 N 0.27 0.00 -0.15 1.05 1.08 -2.01 -2.49 115.11 112.86 3iai h GLN 36 Ca 0.64 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.84 3iai h GLN 36 Cb 1.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.82 3iai h GLN 36 CO -0.63 0.21 0.00 1.28 -0.95 0.00 0.00 178.83 178.73 3iai n LEU 37 N -3.95 2.56 -4.76 1.46 4.77 0.11 -4.92 117.00 112.28 3iai n LEU 37 Ca -0.02 -0.97 -0.39 0.00 -0.03 0.00 0.00 56.01 54.60 3iai n LEU 37 Cb 0.29 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 3iai n LEU 37 CO 0.34 0.48 0.68 0.00 -1.33 0.00 0.00 177.39 177.57 3iai s ALA 38 N -1.83 3.32 -0.27 -1.18 0.00 -0.94 -4.67 121.76 116.18 3iai s ALA 38 Ca 0.34 0.66 -0.21 0.00 0.00 0.00 0.00 51.96 52.75 3iai s ALA 38 Cb 0.20 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 3iai s ALA 38 CO 0.30 0.11 0.67 0.00 0.00 0.00 0.00 175.76 176.84 3iai s ALA 39 N -1.28 3.59 0.02 0.00 0.00 0.87 -4.76 121.76 120.19 3iai s ALA 39 Ca 0.44 -0.46 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 3iai s ALA 39 Cb -0.26 -3.10 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 3iai s ALA 39 CO 0.32 -0.93 1.72 0.12 0.00 0.00 0.00 175.76 176.99 3iai s PHE 40 N 2.61 2.05 -0.39 0.00 5.99 -1.26 -0.74 117.98 126.25 3iai s PHE 40 Ca 0.27 0.12 0.02 0.00 0.00 0.00 0.00 56.93 57.35 3iai s PHE 40 Cb -0.15 -4.01 0.11 0.00 0.00 0.00 0.00 43.02 38.98 3iai s PHE 40 CO 0.10 -4.21 0.14 -1.12 -0.00 0.00 0.00 175.22 170.13 3iai s SER 41 N 3.11 4.27 0.62 6.13 0.01 -0.20 -4.89 113.70 122.75 3iai s SER 41 Ca 0.77 -2.28 0.28 0.00 1.31 0.00 0.00 55.95 56.03 3iai s SER 41 Cb -0.38 -1.32 1.55 0.00 0.21 0.00 0.00 66.02 66.08 3iai s SER 41 CO 0.33 -0.34 1.86 -0.65 0.41 0.00 0.00 173.24 174.85 3iai h PRO 42 N 7.35 0.00 0.00 12.44 0.11 -1.91 -1.08 132.00 148.91 3iai h PRO 42 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3iai h PRO 42 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3iai h PRO 42 CO 0.53 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.32 3iai h ALA 43 N 1.37 1.00 -1.67 -0.75 0.00 -1.95 -3.42 119.26 113.84 3iai h ALA 43 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 3iai h ALA 43 Cb 0.60 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 3iai h ALA 43 CO 0.00 0.00 1.12 -0.51 0.00 0.00 0.00 179.25 179.86 3iai s LEU 44 N -5.52 3.46 0.46 0.00 1.43 -0.41 -5.00 118.68 113.10 3iai s LEU 44 Ca 0.05 0.55 -0.00 0.00 -1.03 0.00 0.00 54.13 53.69 3iai s LEU 44 Cb 0.09 -3.22 -0.00 0.00 0.03 0.00 0.00 46.19 43.09 3iai s LEU 44 CO 0.54 -1.66 0.69 -0.13 0.23 0.00 0.00 176.35 176.02 3iai s ARG 45 N 5.43 3.04 0.31 1.70 1.81 -1.26 -4.87 118.95 125.12 3iai s ARG 45 Ca 0.58 -0.47 -0.29 0.00 -1.72 0.00 0.00 55.73 53.84 3iai s ARG 45 Cb -0.13 -2.54 -0.13 0.00 -0.45 0.00 0.00 34.95 31.71 3iai s ARG 45 CO 0.28 -0.31 1.30 -2.30 -0.68 0.00 0.00 175.30 173.59 3iai n PRO 46 N -2.12 2.06 -2.17 3.54 -0.02 -1.26 -4.92 135.00 130.11 3iai n PRO 46 Ca 0.02 0.72 -0.37 0.00 -2.02 0.00 0.00 63.50 61.85 3iai n PRO 46 Cb 0.58 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3iai n PRO 46 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3iai s LEU 47 N -0.66 3.92 -0.16 2.45 1.43 -0.51 -4.90 118.68 120.26 3iai s LEU 47 Ca 0.59 2.36 0.01 0.00 -1.03 0.00 0.00 54.13 56.06 3iai s LEU 47 Cb -0.60 -4.33 0.02 0.00 0.03 0.00 0.00 46.19 41.31 3iai s LEU 47 CO 0.59 -1.12 -0.20 -1.61 0.23 0.00 0.00 176.35 174.24 3iai s GLU 48 N -2.87 2.95 -0.20 1.70 2.02 -1.09 -4.92 118.70 116.28 3iai s GLU 48 Ca 0.67 -0.82 -0.00 0.00 0.02 0.00 0.00 54.97 54.84 3iai s GLU 48 Cb -0.30 -2.49 0.05 0.00 0.10 0.00 0.00 34.13 31.50 3iai s GLU 48 CO 0.35 -0.14 -0.04 -0.51 0.02 0.00 0.00 175.26 174.94 3iai s LEU 49 N 1.14 1.98 0.18 1.80 1.02 -1.26 -1.12 118.68 122.42 3iai s LEU 49 Ca 0.01 -0.94 0.11 0.00 0.02 0.00 0.00 54.13 53.33 3iai s LEU 49 Cb -0.14 -0.98 -0.04 0.00 0.02 0.00 0.00 46.19 45.05 3iai s LEU 49 CO -0.09 -0.23 -0.24 -0.76 0.02 0.00 0.00 176.35 175.04 3iai s LEU 50 N 1.56 2.41 -0.00 1.79 1.43 -0.20 -4.68 118.68 120.99 3iai s LEU 50 Ca -0.03 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 3iai s LEU 50 Cb -0.17 -1.16 0.00 0.00 0.03 0.00 0.00 46.19 44.89 3iai s LEU 50 CO -0.07 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.24 3iai n GLY 50 N 0.42 0.48 0.08 -3.19 0.00 -1.26 -1.48 105.19 100.24 3iai n GLY 50 Ca -0.14 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 45.97 3iai n GLY 50 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3iai n PHE 51 N -2.96 0.72 -2.86 1.61 3.01 -1.26 -4.40 117.46 111.33 3iai n PHE 51 Ca -0.00 0.21 -0.44 0.00 1.01 0.00 0.00 57.45 58.23 3iai n PHE 51 Cb 0.02 -0.80 -0.01 0.00 -0.01 0.00 0.00 39.48 38.68 3iai n PHE 51 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3iai s GLN 52 N -3.11 3.95 0.00 -1.08 -0.21 -1.26 -1.20 119.66 116.74 3iai s GLN 52 Ca 0.09 -2.24 0.00 0.00 0.02 0.00 0.00 55.36 53.24 3iai s GLN 52 Cb 0.13 -5.13 0.00 0.00 1.00 0.00 0.00 33.01 29.01 3iai s GLN 52 CO 0.64 -1.88 0.00 1.28 -2.12 0.00 0.00 175.29 173.21 3iai n LEU 53 N 6.49 0.00 0.08 2.90 4.77 -1.19 -4.96 117.00 125.10 3iai n LEU 53 Ca 0.36 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.21 3iai n LEU 53 Cb 0.45 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.41 3iai n LEU 53 CO 0.63 -0.04 -0.03 -0.65 -1.33 0.00 0.00 177.39 175.97 3iai h PRO 54 N 0.00 0.18 -5.40 3.23 0.11 -1.96 -3.36 132.00 124.80 3iai h PRO 54 Ca 0.00 -0.31 -0.43 0.00 0.11 0.00 0.00 66.00 65.37 3iai h PRO 54 Cb 0.00 0.11 -0.22 0.00 0.11 0.00 0.00 31.00 31.00 3iai h PRO 54 CO 0.00 1.12 -0.79 -0.51 -0.21 0.00 0.00 178.00 177.62 3iai s LEU 54 N -6.97 2.26 0.92 2.35 1.43 -1.26 -1.23 118.68 116.18 3iai s LEU 54 Ca -0.03 -0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 52.36 3iai s LEU 54 Cb 0.08 -0.56 0.14 0.00 0.03 0.00 0.00 46.19 45.88 3iai s LEU 54 CO 0.86 -0.04 1.12 -2.16 0.23 0.00 0.00 176.35 176.35 3iai s PRO 55 N -1.62 1.04 0.83 1.29 0.04 -1.26 -4.97 135.00 130.35 3iai s PRO 55 Ca -0.01 0.44 -0.12 0.00 0.04 0.00 0.00 61.00 61.35 3iai s PRO 55 Cb -0.10 -1.81 0.09 0.00 0.04 0.00 0.00 34.50 32.72 3iai s PRO 55 CO 0.02 -2.30 1.16 -1.21 0.04 0.00 0.00 177.00 174.71 3iai s GLU 56 N -5.14 1.76 0.06 4.56 2.02 -1.26 -4.01 118.70 116.68 3iai s GLU 56 Ca 0.64 0.22 0.08 0.00 0.02 0.00 0.00 54.97 55.93 3iai s GLU 56 Cb -0.16 -1.92 -0.03 0.00 0.10 0.00 0.00 34.13 32.12 3iai s GLU 56 CO 0.55 -1.75 -0.23 -0.51 0.02 0.00 0.00 175.26 173.34 3iai s LEU 57 N -5.72 2.19 -0.00 1.80 1.02 0.76 -4.89 118.68 113.84 3iai s LEU 57 Ca 0.62 -0.57 -0.30 0.00 0.02 0.00 0.00 54.13 53.90 3iai s LEU 57 Cb -0.12 -1.07 -0.03 0.00 0.02 0.00 0.00 46.19 44.98 3iai s LEU 57 CO 0.51 0.18 1.02 -0.60 0.02 0.00 0.00 176.35 177.48 3iai s ARG 58 N -1.33 4.52 -0.14 1.70 3.52 -1.26 -0.18 118.95 125.77 3iai s ARG 58 Ca 0.09 1.48 0.02 0.00 -0.13 0.00 0.00 55.73 57.19 3iai s ARG 58 Cb -0.09 -3.45 0.01 0.00 -1.56 0.00 0.00 34.95 29.85 3iai s ARG 58 CO 0.02 -0.12 -0.21 -1.17 -0.81 0.00 0.00 175.30 173.01 3iai s LEU 59 N 1.16 2.16 0.02 -0.88 2.96 0.32 -1.10 118.68 123.32 3iai s LEU 59 Ca 0.53 -0.59 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 3iai s LEU 59 Cb -0.22 -1.46 -0.01 0.00 0.50 0.00 0.00 46.19 44.99 3iai s LEU 59 CO 0.27 0.08 -0.09 -0.60 -1.32 0.00 0.00 176.35 174.68 3iai s ARG 60 N 0.82 0.68 -0.49 1.98 3.52 -0.06 -1.11 118.95 124.29 3iai s ARG 60 Ca -0.07 -0.53 -0.16 0.00 -0.13 0.00 0.00 55.73 54.84 3iai s ARG 60 Cb -0.15 -0.62 0.08 0.00 -1.56 0.00 0.00 34.95 32.70 3iai s ARG 60 CO -0.02 0.15 0.45 1.21 -0.81 0.00 0.00 175.30 176.29 3iai s ASN 61 N -0.80 6.17 0.00 -2.12 3.84 -0.39 -0.41 114.94 121.23 3iai s ASN 61 Ca -0.01 -1.38 0.20 0.00 0.21 0.00 0.00 52.86 51.88 3iai s ASN 61 Cb -0.06 -2.20 0.54 0.00 -0.55 0.00 0.00 41.25 38.97 3iai s ASN 61 CO 0.00 -0.73 1.45 -0.46 -2.79 0.00 0.00 177.10 174.57 3iai n ASN 62 N 5.36 3.22 0.00 -4.21 0.23 -0.96 -0.52 115.26 118.38 3iai n ASN 62 Ca -0.12 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 51.95 3iai n ASN 62 Cb 0.43 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 3iai n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3iai n GLY 63 N 1.46 3.06 0.00 4.83 0.00 -1.26 -4.76 105.19 108.52 3iai n GLY 63 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 3iai n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3iai n HIS 64 N -0.52 0.00 -3.98 1.61 8.25 -1.26 -4.29 115.22 115.03 3iai n HIS 64 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 3iai n HIS 64 Cb 0.00 -0.09 0.01 0.00 1.12 0.00 0.00 29.99 31.03 3iai n HIS 64 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3iai s SER 65 N -2.37 0.01 -0.20 0.41 0.15 -1.26 -4.85 113.70 105.58 3iai s SER 65 Ca 0.00 -0.26 -0.05 0.00 0.70 0.00 0.00 55.95 56.34 3iai s SER 65 Cb 0.06 0.19 -0.02 0.00 -1.71 0.00 0.00 66.02 64.54 3iai s SER 65 CO 0.35 -0.38 -0.01 0.54 1.20 0.00 0.00 173.24 174.95 3iai s VAL 66 N -2.03 3.87 -0.08 4.45 0.11 -1.26 -2.26 120.40 123.20 3iai s VAL 66 Ca 0.29 -0.34 0.05 0.00 -2.93 0.00 0.00 61.98 59.05 3iai s VAL 66 Cb -0.01 -2.75 -0.01 0.00 -1.53 0.00 0.00 36.38 32.08 3iai s VAL 66 CO 0.00 0.43 -0.23 -1.58 -3.33 0.00 0.00 175.10 170.39 3iai s GLN 67 N 1.04 2.81 -0.25 1.54 0.74 0.45 -3.48 119.66 122.52 3iai s GLN 67 Ca 0.02 -0.87 -0.08 0.00 0.05 0.00 0.00 55.36 54.48 3iai s GLN 67 Cb -0.14 -2.26 -0.04 0.00 1.10 0.00 0.00 33.01 31.67 3iai s GLN 67 CO 0.01 0.30 0.10 -1.17 -0.55 0.00 0.00 175.29 173.98 3iai s LEU 68 N 0.05 3.62 -0.11 3.68 2.96 0.03 -0.88 118.68 128.03 3iai s LEU 68 Ca -0.10 -0.12 -0.30 0.00 -0.22 0.00 0.00 54.13 53.40 3iai s LEU 68 Cb -0.15 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 3iai s LEU 68 CO 0.06 -0.01 1.03 -0.89 -1.32 0.00 0.00 176.35 175.22 3iai s THR 69 N 1.48 4.72 -0.08 3.68 2.01 -0.25 -2.14 115.64 125.06 3iai s THR 69 Ca 0.06 2.00 -0.06 0.00 0.31 0.00 0.00 61.69 64.00 3iai s THR 69 Cb -0.15 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.03 3iai s THR 69 CO 0.05 -0.01 0.16 -0.76 -0.69 0.00 0.00 174.62 173.37 3iai s LEU 70 N 2.14 4.39 0.87 4.42 1.43 -0.60 -4.30 118.68 127.03 3iai s LEU 70 Ca 0.49 0.44 -0.13 0.00 -1.03 0.00 0.00 54.13 53.90 3iai s LEU 70 Cb -0.19 -2.26 0.12 0.00 0.03 0.00 0.00 46.19 43.89 3iai s LEU 70 CO 0.17 0.36 1.19 -2.16 0.23 0.00 0.00 176.35 176.14 3iai s PRO 71 N -1.33 1.44 0.78 1.29 0.04 -1.26 -4.75 135.00 131.20 3iai s PRO 71 Ca 0.19 0.07 -0.11 0.00 0.04 0.00 0.00 61.00 61.19 3iai s PRO 71 Cb -0.12 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.58 3iai s PRO 71 CO 0.09 -1.95 1.10 -2.14 0.04 0.00 0.00 177.00 174.13 3iai s PRO 72 N -5.55 2.19 0.00 0.56 0.02 -1.26 -4.12 135.00 126.84 3iai s PRO 72 Ca 0.65 1.20 0.00 0.00 0.02 0.00 0.00 61.00 62.86 3iai s PRO 72 Cb -0.11 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.52 3iai s PRO 72 CO 0.51 -1.69 0.00 0.41 -0.33 0.00 0.00 177.00 175.89 3iai n GLY 76 N -1.11 0.50 3.45 0.52 0.00 -1.26 -5.02 105.19 102.27 3iai n GLY 76 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 3iai n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iai s LEU 77 N 0.00 5.03 0.03 0.99 1.02 -1.26 -4.33 118.68 120.16 3iai s LEU 77 Ca 0.00 -1.95 -0.20 0.00 0.02 0.00 0.00 54.13 52.00 3iai s LEU 77 Cb 0.00 -2.40 -0.06 0.00 0.02 0.00 0.00 46.19 43.76 3iai s LEU 77 CO 0.00 -1.09 0.59 -1.61 0.02 0.00 0.00 176.35 174.26 3iai s GLU 78 N 2.77 4.28 0.02 1.70 2.02 -0.55 -0.98 118.70 127.95 3iai s GLU 78 Ca 0.31 0.74 0.01 0.00 0.02 0.00 0.00 54.97 56.06 3iai s GLU 78 Cb -0.06 -3.30 -0.01 0.00 0.10 0.00 0.00 34.13 30.85 3iai s GLU 78 CO -0.07 0.48 -0.05 1.41 0.02 0.00 0.00 175.26 177.05 3iai s MET 79 N -0.58 0.35 -0.05 1.61 1.75 0.05 -1.03 119.30 121.41 3iai s MET 79 Ca 0.30 -0.43 0.02 0.00 -1.25 0.00 0.00 55.69 54.33 3iai s MET 79 Cb -0.19 -0.17 0.01 0.00 2.84 0.00 0.00 34.83 37.32 3iai s MET 79 CO 0.18 0.03 -0.09 0.00 -0.65 0.00 0.00 175.02 174.49 3iai s ALA 80 N -0.81 0.99 -0.70 4.11 0.00 -0.28 0.67 121.76 125.76 3iai s ALA 80 Ca -0.06 -0.27 0.24 0.00 0.00 0.00 0.00 51.96 51.86 3iai s ALA 80 Cb -0.06 -0.47 0.34 0.00 0.00 0.00 0.00 23.12 22.93 3iai s ALA 80 CO -0.00 0.08 1.30 1.28 0.00 0.00 0.00 175.76 178.42 3iai n LEU 81 N 3.78 0.65 0.00 0.00 4.77 -0.66 -2.68 117.00 122.86 3iai n LEU 81 Ca -0.23 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3iai n LEU 81 Cb 0.52 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3iai n LEU 81 CO 0.25 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3iai n GLY 82 N 1.37 -0.43 3.66 -0.72 0.00 -1.25 -4.61 105.19 103.20 3iai n GLY 82 Ca 0.03 -0.97 -0.50 0.00 0.00 0.00 0.00 46.02 44.58 3iai n GLY 82 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3iai n PRO 84 N -0.12 1.88 -1.05 1.61 -0.02 -1.26 -1.22 135.00 134.82 3iai n PRO 84 Ca 0.00 0.68 -0.02 0.00 -2.02 0.00 0.00 63.50 62.14 3iai n PRO 84 Cb 0.00 -2.55 -0.01 0.00 -0.02 0.00 0.00 33.50 30.92 3iai n PRO 84 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iai n GLY 85 N 4.63 0.50 2.81 -1.23 0.00 -1.26 -4.95 105.19 105.68 3iai n GLY 85 Ca 0.25 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 3iai n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iai n ARG 86 N -2.06 1.94 -3.95 1.61 1.74 -0.36 -5.08 116.66 110.50 3iai n ARG 86 Ca -0.02 -4.51 -0.29 0.00 -0.77 0.00 0.00 57.85 52.26 3iai n ARG 86 Cb 0.17 -2.27 -0.04 0.00 -1.02 0.00 0.00 32.46 29.30 3iai n ARG 86 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3iai s GLU 87 N -1.63 3.36 0.21 5.56 2.02 -1.26 -1.66 118.70 125.30 3iai s GLU 87 Ca 0.28 -0.53 -0.01 0.00 0.02 0.00 0.00 54.97 54.73 3iai s GLU 87 Cb -0.01 -2.97 -0.04 0.00 0.10 0.00 0.00 34.13 31.21 3iai s GLU 87 CO -0.14 0.58 0.16 0.71 0.02 0.00 0.00 175.26 176.58 3iai s TYR 88 N -1.57 1.15 -0.01 1.61 1.51 0.21 -2.15 117.35 118.09 3iai s TYR 88 Ca 0.34 -1.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.06 3iai s TYR 88 Cb -0.12 -0.52 0.00 0.00 -0.11 0.00 0.00 41.96 41.21 3iai s TYR 88 CO 0.27 -0.67 -0.05 -0.98 -1.11 0.00 0.00 175.55 173.01 3iai s ARG 89 N -4.11 0.51 0.30 -0.62 3.03 -0.63 -0.77 118.95 116.65 3iai s ARG 89 Ca 0.38 -0.17 -0.29 0.00 2.03 0.00 0.00 55.73 57.68 3iai s ARG 89 Cb 0.06 -0.51 -0.10 0.00 -1.03 0.00 0.00 34.95 33.37 3iai s ARG 89 CO 0.13 0.07 1.18 0.00 -1.13 0.00 0.00 175.30 175.55 3iai s ALA 90 N 0.12 3.44 -0.15 7.88 0.00 -0.16 -0.85 121.76 132.04 3iai s ALA 90 Ca -0.01 1.04 -0.01 0.00 0.00 0.00 0.00 51.96 52.97 3iai s ALA 90 Cb -0.05 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 3iai s ALA 90 CO -0.00 -0.35 -0.15 1.28 0.00 0.00 0.00 175.76 176.54 3iai n LEU 91 N 1.10 2.49 -3.69 0.00 4.77 0.50 -4.77 117.00 117.41 3iai n LEU 91 Ca -0.00 -0.01 -0.02 0.00 -0.03 0.00 0.00 56.01 55.94 3iai n LEU 91 Cb 0.44 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 3iai n LEU 91 CO 0.56 0.64 0.83 0.00 -1.33 0.00 0.00 177.39 178.09 3iai s GLN 92 N -2.30 0.90 0.03 3.23 1.03 -1.20 -1.55 119.66 119.80 3iai s GLN 92 Ca -0.21 -0.48 0.01 0.00 0.04 0.00 0.00 55.36 54.72 3iai s GLN 92 Cb 0.06 0.32 -0.02 0.00 0.03 0.00 0.00 33.01 33.40 3iai s GLN 92 CO 0.33 -0.41 -0.05 -0.48 -2.54 0.00 0.00 175.29 172.14 3iai s LEU 93 N -2.88 2.27 0.30 2.60 0.05 -0.91 -0.45 118.68 119.66 3iai s LEU 93 Ca 0.12 -0.56 -0.10 0.00 0.05 0.00 0.00 54.13 53.63 3iai s LEU 93 Cb 0.00 0.00 0.01 0.00 -2.05 0.00 0.00 46.19 44.16 3iai s LEU 93 CO -0.01 -0.29 0.54 -1.38 -0.55 0.00 0.00 176.35 174.67 3iai s HIS 94 N -1.64 0.52 0.21 3.48 -3.43 -0.44 -0.79 115.29 113.21 3iai s HIS 94 Ca -0.12 -0.90 0.07 0.00 -0.80 0.00 0.00 55.06 53.31 3iai s HIS 94 Cb -0.08 0.24 -0.05 0.00 -1.43 0.00 0.00 32.58 31.26 3iai s HIS 94 CO -0.01 -1.16 -0.12 -0.51 -2.00 0.00 0.00 174.74 170.94 3iai s LEU 95 N -3.09 2.53 -0.05 5.38 2.01 -1.23 -0.95 118.68 123.28 3iai s LEU 95 Ca 0.23 -1.06 0.02 0.00 0.01 0.00 0.00 54.13 53.34 3iai s LEU 95 Cb -0.02 -0.63 0.01 0.00 0.01 0.00 0.00 46.19 45.57 3iai s LEU 95 CO 0.13 -0.22 -0.09 -1.00 1.01 0.00 0.00 176.35 176.17 3iai s HIS 96 N -3.02 1.12 0.29 0.29 3.76 -0.43 -4.59 115.29 112.71 3iai s HIS 96 Ca 0.23 -0.35 -0.03 0.00 -0.15 0.00 0.00 55.06 54.77 3iai s HIS 96 Cb 0.00 -0.84 -0.02 0.00 1.11 0.00 0.00 32.58 32.84 3iai s HIS 96 CO 0.07 -0.19 0.36 1.67 -0.85 0.00 0.00 174.74 175.80 3iai s TRP 97 N 0.56 1.06 0.00 1.40 -2.14 -1.22 -1.45 118.94 117.14 3iai s TRP 97 Ca -0.10 -1.26 0.00 0.00 2.66 0.00 0.00 56.10 57.40 3iai s TRP 97 Cb -0.13 -0.25 0.00 0.00 -3.10 0.00 0.00 33.47 29.98 3iai s TRP 97 CO 0.02 -0.94 0.00 0.41 -2.66 0.00 0.00 176.95 173.78 3iai n GLY 98 N -0.46 0.69 3.48 3.67 0.00 -1.24 -2.13 105.19 109.20 3iai n GLY 98 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 3iai n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iai n ALA 99 N -3.00 -1.75 -1.70 4.61 0.00 -0.56 -1.24 120.51 116.88 3iai n ALA 99 Ca 0.00 -1.14 -0.53 0.00 0.00 0.00 0.00 53.44 51.77 3iai n ALA 99 Cb 0.00 0.88 -0.06 0.00 0.00 0.00 0.00 19.45 20.27 3iai n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iai n ALA 100 N -0.78 0.32 -1.15 0.00 0.00 -1.26 -0.30 120.51 117.35 3iai n ALA 100 Ca -0.15 0.34 -0.05 0.00 0.00 0.00 0.00 53.44 53.58 3iai n ALA 100 Cb 0.55 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.62 3iai n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iai n GLY 101 N 4.29 0.71 2.68 0.00 0.00 -1.26 -5.00 105.19 106.61 3iai n GLY 101 Ca 0.25 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 3iai n GLY 101 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iai s ARG 102 N -1.90 -0.02 0.76 1.61 0.52 0.59 -5.15 118.95 115.37 3iai s ARG 102 Ca 0.00 0.34 -0.13 0.00 -0.52 0.00 0.00 55.73 55.43 3iai s ARG 102 Cb 0.00 -0.58 0.06 0.00 0.52 0.00 0.00 34.95 34.94 3iai s ARG 102 CO 0.00 -0.34 1.14 -1.25 0.02 0.00 0.00 175.30 174.88 3iai s PRO 103 N 2.15 2.10 -0.00 3.54 0.04 -1.26 -1.50 135.00 140.07 3iai s PRO 103 Ca 0.05 1.48 0.02 0.00 0.04 0.00 0.00 61.00 62.59 3iai s PRO 103 Cb -0.12 -1.86 0.04 0.00 0.04 0.00 0.00 34.50 32.60 3iai s PRO 103 CO -0.03 -1.81 1.02 0.41 0.04 0.00 0.00 177.00 176.63 3iai n GLY 104 N -0.28 0.68 3.73 0.56 0.00 0.97 -4.37 105.19 106.49 3iai n GLY 104 Ca 0.11 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3iai n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iai s SER 105 N -1.13 3.90 -0.16 1.61 1.04 -0.35 -3.43 113.70 115.19 3iai s SER 105 Ca 0.03 1.84 -0.15 0.00 0.48 0.00 0.00 55.95 58.16 3iai s SER 105 Cb 0.04 -2.47 -0.11 0.00 0.10 0.00 0.00 66.02 63.57 3iai s SER 105 CO -0.01 -2.42 0.14 -0.33 0.98 0.00 0.00 173.24 171.59 3iai h GLU 106 N -1.40 0.00 -7.29 4.02 5.08 -1.89 -3.46 114.58 109.66 3iai h GLU 106 Ca -0.45 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.42 3iai h GLU 106 Cb 1.25 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.55 3iai h GLU 106 CO 0.50 0.49 0.40 -1.01 -1.00 0.00 0.00 179.01 178.38 3iai s HIS 107 N -2.15 3.47 0.13 4.33 3.76 -1.26 -4.61 115.29 118.95 3iai s HIS 107 Ca -0.17 1.38 0.05 0.00 -0.15 0.00 0.00 55.06 56.17 3iai s HIS 107 Cb 0.02 -2.78 -0.04 0.00 1.11 0.00 0.00 32.58 30.89 3iai s HIS 107 CO 0.38 -0.65 -0.11 0.95 -0.85 0.00 0.00 174.74 174.45 3iai s THR 108 N -2.91 1.14 -0.20 1.30 -4.23 -1.15 -4.58 115.64 105.01 3iai s THR 108 Ca 0.57 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 59.19 3iai s THR 108 Cb -0.11 -1.68 0.04 0.00 1.34 0.00 0.00 72.50 72.09 3iai s THR 108 CO 0.45 -0.65 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.09 3iai s VAL 109 N -2.92 1.60 -1.45 2.29 1.01 -0.56 0.11 120.40 120.48 3iai s VAL 109 Ca 0.13 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 61.03 3iai s VAL 109 Cb 0.00 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.74 3iai s VAL 109 CO 0.01 0.17 1.00 1.21 0.00 0.00 0.00 175.10 177.49 3iai n GLU 110 N 4.70 -6.48 -0.05 2.72 4.07 0.10 -1.17 120.64 124.54 3iai n GLU 110 Ca -0.14 0.74 0.00 0.00 -0.06 0.00 0.00 57.16 57.70 3iai n GLU 110 Cb 0.47 -5.70 0.00 0.00 -0.06 0.00 0.00 31.44 26.15 3iai n GLU 110 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3iai n GLY 111 N -1.79 2.50 3.69 8.31 0.00 -1.26 -5.01 105.19 111.62 3iai n GLY 111 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3iai n GLY 111 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3iai s HIS 112 N -2.91 3.48 -0.16 1.61 5.04 -0.31 -5.03 115.29 117.01 3iai s HIS 112 Ca 0.00 1.28 -0.10 0.00 -1.54 0.00 0.00 55.06 54.70 3iai s HIS 112 Cb 0.00 -2.96 -0.05 0.00 0.04 0.00 0.00 32.58 29.62 3iai s HIS 112 CO 0.00 -0.12 0.17 0.50 -2.34 0.00 0.00 174.74 172.94 3iai s ARG 113 N 1.66 3.98 0.46 2.88 3.52 -1.26 -1.50 118.95 128.68 3iai s ARG 113 Ca 0.39 -0.12 -0.02 0.00 -0.13 0.00 0.00 55.73 55.85 3iai s ARG 113 Cb -0.17 -3.35 -0.02 0.00 -1.56 0.00 0.00 34.95 29.85 3iai s ARG 113 CO 0.15 0.44 0.71 -0.06 -0.81 0.00 0.00 175.30 175.74 3iai s PHE 114 N -0.07 3.40 0.20 5.12 0.40 -1.26 -4.84 117.98 120.93 3iai s PHE 114 Ca 0.12 0.51 -0.14 0.00 -0.60 0.00 0.00 56.93 56.82 3iai s PHE 114 Cb -0.12 -2.28 0.20 0.00 0.51 0.00 0.00 43.02 41.34 3iai s PHE 114 CO 0.01 -0.29 1.64 -1.35 0.70 0.00 0.00 175.22 175.93 3iai h PRO 115 N 0.34 0.02 -3.74 0.24 0.11 -1.92 -0.69 132.00 126.35 3iai h PRO 115 Ca -0.47 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.46 3iai h PRO 115 Cb 1.23 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.28 3iai h PRO 115 CO 0.60 0.01 -0.05 0.00 -0.21 0.00 0.00 178.00 178.35 3iai s ALA 116 N -6.22 0.21 -0.14 -0.75 0.00 -1.09 -0.02 121.76 113.76 3iai s ALA 116 Ca -0.14 -1.22 -0.12 0.00 0.00 0.00 0.00 51.96 50.48 3iai s ALA 116 Cb 0.18 1.01 0.04 0.00 0.00 0.00 0.00 23.12 24.34 3iai s ALA 116 CO 0.73 -0.86 0.37 -2.00 0.00 0.00 0.00 175.76 174.00 3iai s GLU 117 N -2.97 0.42 -0.04 0.00 2.12 -0.53 -0.44 118.70 117.26 3iai s GLU 117 Ca 0.25 0.52 0.01 0.00 0.36 0.00 0.00 54.97 56.12 3iai s GLU 117 Cb -0.02 0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.53 3iai s GLU 117 CO 0.16 -0.06 -0.05 -1.50 -0.54 0.00 0.00 175.26 173.28 3iai s ILE 118 N 0.27 3.85 -0.10 -3.70 2.07 -0.29 -1.31 121.20 121.99 3iai s ILE 118 Ca -0.01 -0.54 0.02 0.00 -1.41 0.00 0.00 60.65 58.72 3iai s ILE 118 Cb -0.03 -2.63 0.01 0.00 0.13 0.00 0.00 42.46 39.94 3iai s ILE 118 CO -0.00 0.51 -0.17 -1.00 -1.91 0.00 0.00 174.94 172.37 3iai s HIS 119 N -0.91 2.10 -0.32 3.50 3.76 -0.12 -2.19 115.29 121.11 3iai s HIS 119 Ca 0.15 -0.93 -0.02 0.00 -0.15 0.00 0.00 55.06 54.10 3iai s HIS 119 Cb -0.11 -1.47 0.06 0.00 1.11 0.00 0.00 32.58 32.17 3iai s HIS 119 CO 0.04 -0.44 0.04 0.08 -0.85 0.00 0.00 174.74 173.61 3iai s VAL 120 N 0.75 3.09 -0.07 -0.90 1.01 -0.38 -1.32 120.40 122.59 3iai s VAL 120 Ca -0.11 -1.46 -0.24 0.00 0.00 0.00 0.00 61.98 60.17 3iai s VAL 120 Cb -0.16 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 3iai s VAL 120 CO 0.02 -0.20 0.75 -0.69 0.00 0.00 0.00 175.10 174.98 3iai s VAL 121 N 1.25 5.01 0.16 2.92 1.01 0.40 -1.45 120.40 129.71 3iai s VAL 121 Ca -0.03 1.54 0.11 0.00 0.00 0.00 0.00 61.98 63.60 3iai s VAL 121 Cb -0.20 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 3iai s VAL 121 CO -0.01 0.22 -0.24 -1.00 0.00 0.00 0.00 175.10 174.06 3iai s HIS 122 N 0.97 2.22 -0.12 5.22 3.76 0.46 -0.37 115.29 127.43 3iai s HIS 122 Ca 0.39 -0.38 0.01 0.00 -0.15 0.00 0.00 55.06 54.93 3iai s HIS 122 Cb -0.18 -1.14 -0.01 0.00 1.11 0.00 0.00 32.58 32.36 3iai s HIS 122 CO 0.19 0.41 -0.16 -1.17 -0.85 0.00 0.00 174.74 173.16 3iai s LEU 123 N -2.41 2.54 0.33 0.89 2.96 -0.03 -2.02 118.68 120.94 3iai s LEU 123 Ca 0.17 -0.39 -0.29 0.00 -0.22 0.00 0.00 54.13 53.40 3iai s LEU 123 Cb -0.09 -1.56 -0.12 0.00 0.50 0.00 0.00 46.19 44.93 3iai s LEU 123 CO 0.08 0.16 1.48 -0.24 -1.32 0.00 0.00 176.35 176.51 3iai n SER 124 N 3.54 3.56 0.01 3.68 2.88 -0.29 -1.61 113.62 125.39 3iai n SER 124 Ca -0.18 1.19 0.04 0.00 -1.33 0.00 0.00 58.87 58.59 3iai n SER 124 Cb 0.53 -1.57 0.17 0.00 -0.75 0.00 0.00 64.21 62.59 3iai n SER 124 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3iai n THR 125 N 1.06 1.48 0.92 2.46 -2.24 -0.92 -1.56 114.28 115.49 3iai n THR 125 Ca 0.05 0.39 0.14 0.00 -2.27 0.00 0.00 64.05 62.35 3iai n THR 125 Cb 0.37 -1.27 0.55 0.00 -2.10 0.00 0.00 70.33 67.88 3iai n THR 125 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iai n ALA 127 N -1.52 2.39 -2.93 6.98 0.00 -1.26 -4.74 120.51 119.42 3iai n ALA 127 Ca 0.02 -0.10 -0.32 0.00 0.00 0.00 0.00 53.44 53.04 3iai n ALA 127 Cb 0.09 -1.45 -0.16 0.00 0.00 0.00 0.00 19.45 17.93 3iai n ALA 127 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3iai s PHE 128 N -3.02 2.57 0.14 0.00 0.40 -0.60 -5.02 117.98 112.45 3iai s PHE 128 Ca 0.13 -0.77 -0.01 0.00 -0.60 0.00 0.00 56.93 55.69 3iai s PHE 128 Cb 0.17 -1.68 -0.07 0.00 0.51 0.00 0.00 43.02 41.95 3iai s PHE 128 CO 0.55 -0.25 1.32 0.00 0.70 0.00 0.00 175.22 177.55 3iai h ALA 129 N 6.33 0.41 -2.55 5.36 0.00 -1.85 -3.45 119.26 123.52 3iai h ALA 129 Ca -0.28 -0.74 -0.28 0.00 0.00 0.00 0.00 54.91 53.61 3iai h ALA 129 Cb 1.20 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 18.78 3iai h ALA 129 CO 0.49 0.89 -0.72 1.03 0.00 0.00 0.00 179.25 180.94 3iai s ARG 130 N -3.17 0.84 0.22 0.00 0.52 -1.26 -5.06 118.95 111.05 3iai s ARG 130 Ca -0.04 -1.21 -0.09 0.00 -0.52 0.00 0.00 55.73 53.86 3iai s ARG 130 Cb 0.09 -0.42 0.19 0.00 0.52 0.00 0.00 34.95 35.34 3iai s ARG 130 CO 0.85 0.05 1.89 0.28 0.02 0.00 0.00 175.30 178.38 3iai h VAL 131 N 3.36 1.19 0.00 3.52 2.07 -1.99 -2.19 116.25 122.21 3iai h VAL 131 Ca -0.36 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 3iai h VAL 131 Cb 1.18 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3iai h VAL 131 CO 0.57 0.20 -0.00 -2.24 0.02 0.00 0.00 177.57 176.11 3iai h ASP 132 N 1.08 0.00 1.04 0.57 3.04 -1.96 0.22 116.42 120.40 3iai h ASP 132 Ca 0.30 0.00 -0.19 0.00 -3.24 0.00 0.00 57.03 53.90 3iai h ASP 132 Cb -0.10 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.16 3iai h ASP 132 CO -0.08 0.00 -1.00 -0.33 -2.04 0.00 0.00 179.24 175.80 3iai h GLU 133 N 0.00 0.00 0.00 4.15 5.08 -1.82 -3.34 114.58 118.65 3iai h GLU 133 Ca -0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 3iai h GLU 133 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3iai h GLU 133 CO 0.00 0.73 -1.13 0.00 -1.00 0.00 0.00 179.01 177.61 3iai h ALA 134 N 1.17 0.61 -1.97 3.43 0.00 -0.85 -3.44 119.26 118.21 3iai h ALA 134 Ca -0.06 -0.89 -0.64 0.00 0.00 0.00 0.00 54.91 53.33 3iai h ALA 134 Cb 1.68 0.12 0.04 0.00 0.00 0.00 0.00 17.79 19.63 3iai h ALA 134 CO 0.10 1.06 0.80 1.28 0.00 0.00 0.00 179.25 182.49 3iai n LEU 135 N -3.13 2.74 0.00 0.00 4.77 -0.50 -1.01 117.00 119.87 3iai n LEU 135 Ca -0.06 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.99 3iai n LEU 135 Cb 0.88 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 3iai n LEU 135 CO 0.44 -0.43 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 3iai n GLY 136 N 3.55 2.82 3.79 -0.72 0.00 -1.20 -5.01 105.19 108.43 3iai n GLY 136 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3iai n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iai s ARG 137 N -0.06 4.20 -0.04 1.61 3.00 -0.18 -4.64 118.95 122.85 3iai s ARG 137 Ca 0.00 0.67 -0.34 0.00 0.00 0.00 0.00 55.73 56.06 3iai s ARG 137 Cb 0.00 -3.28 -0.12 0.00 0.00 0.00 0.00 34.95 31.55 3iai s ARG 137 CO 0.00 0.54 1.83 -0.35 0.00 0.00 0.00 175.30 177.32 3iai n PRO 138 N 2.16 2.22 -0.95 3.54 -0.04 -1.26 -1.33 135.00 139.34 3iai n PRO 138 Ca -0.10 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 3iai n PRO 138 Cb 0.51 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 3iai n PRO 138 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iai n GLY 139 N 4.23 0.27 0.34 0.55 0.00 0.30 -4.87 105.19 106.02 3iai n GLY 139 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 3iai n GLY 139 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3iai h GLY 140 N 0.00 1.22 -4.44 -0.02 0.00 -1.33 -3.42 103.07 95.08 3iai h GLY 140 Ca 0.00 -0.63 -0.70 0.00 0.00 0.00 0.00 47.33 46.00 3iai h GLY 140 CO 0.00 0.60 -0.88 1.08 0.00 0.00 0.00 176.54 177.34 3iai s LEU 141 N -9.70 2.15 -0.04 3.11 1.43 -1.26 -1.14 118.68 113.22 3iai s LEU 141 Ca -0.12 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.46 3iai s LEU 141 Cb 0.16 -1.32 0.02 0.00 0.03 0.00 0.00 46.19 45.08 3iai s LEU 141 CO 0.83 0.28 -0.03 0.00 0.23 0.00 0.00 176.35 177.66 3iai s ALA 142 N -0.73 0.55 -0.07 4.21 0.00 -0.86 -1.55 121.76 123.31 3iai s ALA 142 Ca 0.11 0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.13 3iai s ALA 142 Cb -0.10 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 3iai s ALA 142 CO 0.01 -0.02 -0.19 0.08 0.00 0.00 0.00 175.76 175.64 3iai s VAL 143 N 0.91 2.58 -0.21 0.00 1.01 -0.43 -0.40 120.40 123.86 3iai s VAL 143 Ca -0.11 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 60.90 3iai s VAL 143 Cb -0.14 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 3iai s VAL 143 CO -0.00 0.57 0.12 -0.76 0.00 0.00 0.00 175.10 175.02 3iai s LEU 144 N -0.26 4.04 -0.03 3.92 1.43 -0.53 -1.82 118.68 125.44 3iai s LEU 144 Ca 0.00 0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.30 3iai s LEU 144 Cb -0.13 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 3iai s LEU 144 CO 0.03 0.13 -0.21 0.00 0.23 0.00 0.00 176.35 176.53 3iai s ALA 145 N 0.64 1.81 -0.00 4.21 0.00 0.39 -1.25 121.76 127.56 3iai s ALA 145 Ca 0.06 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.15 3iai s ALA 145 Cb -0.12 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 3iai s ALA 145 CO 0.01 0.39 -0.05 0.00 0.00 0.00 0.00 175.76 176.11 3iai s ALA 146 N -0.30 0.44 0.16 0.00 0.00 -0.93 -1.24 121.76 119.89 3iai s ALA 146 Ca 0.03 -0.27 -0.24 0.00 0.00 0.00 0.00 51.96 51.48 3iai s ALA 146 Cb -0.10 -0.10 -0.08 0.00 0.00 0.00 0.00 23.12 22.84 3iai s ALA 146 CO 0.01 0.10 0.74 -0.06 0.00 0.00 0.00 175.76 176.54 3iai s PHE 147 N -0.22 3.86 -0.24 0.00 0.40 -1.26 -1.14 117.98 119.38 3iai s PHE 147 Ca 0.01 1.55 -0.08 0.00 -0.60 0.00 0.00 56.93 57.81 3iai s PHE 147 Cb -0.03 -2.71 -0.03 0.00 0.51 0.00 0.00 43.02 40.77 3iai s PHE 147 CO -0.00 0.50 0.08 -0.51 0.70 0.00 0.00 175.22 175.99 3iai s LEU 148 N -1.25 3.53 0.26 -0.37 1.43 0.42 -1.99 118.68 120.71 3iai s LEU 148 Ca 0.36 -0.16 0.09 0.00 -1.03 0.00 0.00 54.13 53.39 3iai s LEU 148 Cb -0.22 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 3iai s LEU 148 CO 0.24 -0.01 0.05 -1.61 0.23 0.00 0.00 176.35 175.25 3iai s GLU 149 N 1.48 2.45 0.08 1.70 2.02 0.59 -2.66 118.70 124.36 3iai s GLU 149 Ca 0.06 -1.33 -0.30 0.00 0.02 0.00 0.00 54.97 53.42 3iai s GLU 149 Cb -0.15 -2.26 -0.05 0.00 0.10 0.00 0.00 34.13 31.77 3iai s GLU 149 CO 0.04 0.37 0.97 -2.00 0.02 0.00 0.00 175.26 174.66 3iai s GLU 150 N -3.72 4.66 0.13 1.61 -6.30 -1.26 -0.44 118.70 113.37 3iai s GLU 150 Ca 0.32 1.45 -0.01 0.00 -2.50 0.00 0.00 54.97 54.23 3iai s GLU 150 Cb -0.07 -3.40 -0.04 0.00 0.00 0.00 0.00 34.13 30.63 3iai s GLU 150 CO 0.21 0.14 0.05 0.20 0.02 0.00 0.00 175.26 175.88 3iai s GLY 151 N 0.27 0.97 0.45 -1.50 0.00 0.16 -4.81 107.32 102.86 3iai s GLY 151 Ca 0.48 -1.46 0.26 0.00 0.00 0.00 0.00 44.72 44.00 3iai s GLY 151 CO 0.29 -1.36 1.80 -0.56 0.00 0.00 0.00 173.10 173.27 3iai h PRO 151 N 2.88 0.00 -5.70 2.90 0.13 -1.97 -3.35 132.00 126.89 3iai h PRO 151 Ca -0.35 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.11 3iai h PRO 151 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 3iai h PRO 151 CO 0.59 0.16 -0.50 -2.00 -0.23 0.00 0.00 178.00 176.03 3iai s GLU 152 N -3.53 3.40 0.25 0.86 2.12 -1.26 -4.94 118.70 115.60 3iai s GLU 152 Ca 0.02 -0.19 -0.30 0.00 0.36 0.00 0.00 54.97 54.86 3iai s GLU 152 Cb 0.09 -3.14 -0.09 0.00 0.26 0.00 0.00 34.13 31.25 3iai s GLU 152 CO 0.63 0.75 0.98 -1.83 -0.54 0.00 0.00 175.26 175.25 3iai s GLU 153 N -1.19 4.80 -0.27 4.30 -1.05 -1.26 -3.42 118.70 120.60 3iai s GLU 153 Ca 0.17 1.55 -0.21 0.00 -0.15 0.00 0.00 54.97 56.33 3iai s GLU 153 Cb -0.12 -3.24 -0.01 0.00 -0.44 0.00 0.00 34.13 30.32 3iai s GLU 153 CO 0.07 0.44 0.69 1.21 0.95 0.00 0.00 175.26 178.62 3iai s ASN 154 N -1.13 6.62 0.15 0.83 3.84 -1.26 -4.92 114.94 119.06 3iai s ASN 154 Ca 0.42 0.70 -0.11 0.00 0.21 0.00 0.00 52.86 54.08 3iai s ASN 154 Cb -0.27 -2.36 0.01 0.00 -0.55 0.00 0.00 41.25 38.08 3iai s ASN 154 CO 0.34 -0.45 1.57 0.28 -2.79 0.00 0.00 177.10 176.04 3iai h SER 155 N 7.95 0.93 -0.06 -4.21 0.02 -1.95 -2.07 113.55 114.17 3iai h SER 155 Ca -0.26 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 3iai h SER 155 Cb 1.11 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.40 3iai h SER 155 CO 0.81 1.06 0.04 0.00 -1.14 0.00 0.00 176.83 177.60 3iai h ALA 156 N 0.90 0.07 0.00 3.77 0.00 -1.93 -2.48 119.26 119.59 3iai h ALA 156 Ca 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3iai h ALA 156 Cb 0.65 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3iai h ALA 156 CO 0.04 -0.43 -0.04 1.88 0.00 0.00 0.00 179.25 180.69 3iai h TYR 157 N 0.07 0.00 -0.13 0.00 -1.99 -1.90 -2.83 116.97 110.21 3iai h TYR 157 Ca 0.02 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.76 3iai h TYR 157 Cb -0.01 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.72 3iai h TYR 157 CO -0.07 0.04 0.08 1.49 -0.00 0.00 0.00 178.16 179.70 3iai h GLU 158 N 0.00 0.14 0.00 4.88 4.22 -0.88 0.42 114.58 123.36 3iai h GLU 158 Ca -0.00 -0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.39 3iai h GLU 158 Cb 0.54 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3iai h GLU 158 CO 0.01 0.10 -0.20 1.96 -2.18 0.00 0.00 179.01 178.69 3iai h GLN 159 N 0.15 0.00 0.01 1.92 4.20 -1.52 -2.17 115.11 117.70 3iai h GLN 159 Ca 0.05 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.38 3iai h GLN 159 Cb 0.02 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 3iai h GLN 159 CO -0.01 0.20 -2.15 1.28 -0.67 0.00 0.00 178.83 177.48 3iai n LEU 160 N -3.94 2.21 -0.14 1.46 4.77 -0.38 -4.35 117.00 116.63 3iai n LEU 160 Ca -0.02 0.25 0.02 0.00 -0.03 0.00 0.00 56.01 56.24 3iai n LEU 160 Cb 0.29 -0.91 0.32 0.00 -2.33 0.00 0.00 43.42 40.78 3iai n LEU 160 CO 0.34 0.61 1.21 -0.07 -1.33 0.00 0.00 177.39 178.15 3iai h LEU 161 N -0.68 0.71 0.00 2.23 3.38 -1.02 -1.52 115.31 118.41 3iai h LEU 161 Ca -0.56 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.39 3iai h LEU 161 Cb 1.64 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.22 3iai h LEU 161 CO -0.25 0.51 0.00 -1.54 0.09 0.00 0.00 178.44 177.25 3iai n SER 162 N -4.45 0.00 -0.05 -0.43 3.41 -0.82 -2.71 113.62 108.58 3iai n SER 162 Ca 0.07 0.18 0.08 0.00 -0.26 0.00 0.00 58.87 58.93 3iai n SER 162 Cb 0.06 -0.36 -0.08 0.00 -0.26 0.00 0.00 64.21 63.56 3iai n SER 162 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3iai n ARG 163 N -1.36 1.48 -0.28 4.33 5.12 -0.58 -4.55 116.66 120.81 3iai n ARG 163 Ca 0.08 -0.10 -0.01 0.00 -1.93 0.00 0.00 57.85 55.89 3iai n ARG 163 Cb 0.19 -1.29 0.11 0.00 -1.16 0.00 0.00 32.46 30.31 3iai n ARG 163 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3iai h LEU 164 N 0.22 0.77 -1.72 0.55 3.38 -1.39 -1.89 115.31 115.22 3iai h LEU 164 Ca 0.00 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.06 3iai h LEU 164 Cb 0.42 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3iai h LEU 164 CO 0.00 0.50 0.33 -0.08 0.09 0.00 0.00 178.44 179.28 3iai h GLU 165 N 0.90 0.32 0.00 1.13 4.57 -1.80 0.45 114.58 120.16 3iai h GLU 165 Ca 0.34 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.46 3iai h GLU 165 Cb 0.12 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 3iai h GLU 165 CO -0.15 0.21 -0.16 0.93 -1.18 0.00 0.00 179.01 178.66 3iai h GLU 166 N 0.33 0.00 -0.34 1.92 5.08 -1.64 -2.94 114.58 116.99 3iai h GLU 166 Ca 0.22 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.32 3iai h GLU 166 Cb 0.43 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.47 3iai h GLU 166 CO -0.05 0.16 -0.67 0.44 -1.00 0.00 0.00 179.01 177.89 3iai n ILE 167 N -3.63 2.29 -0.21 3.13 -5.35 0.07 -4.83 119.36 110.82 3iai n ILE 167 Ca -0.01 -3.63 -0.02 0.00 -0.27 0.00 0.00 62.75 58.82 3iai n ILE 167 Cb 0.28 -0.58 0.09 0.00 -1.74 0.00 0.00 39.64 37.69 3iai n ILE 167 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3iai h ALA 168 N 1.56 0.82 -2.71 -1.28 0.00 -1.16 -3.43 119.26 113.05 3iai h ALA 168 Ca 0.16 0.04 -0.51 0.00 0.00 0.00 0.00 54.91 54.59 3iai h ALA 168 Cb 1.27 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.01 3iai h ALA 168 CO 0.34 -0.06 0.52 -1.83 0.00 0.00 0.00 179.25 178.22 3iai s GLU 169 N -6.10 4.56 0.22 0.00 -1.05 -1.26 0.22 118.70 115.29 3iai s GLU 169 Ca -0.13 1.83 -0.31 0.00 -0.15 0.00 0.00 54.97 56.21 3iai s GLU 169 Cb 0.16 -3.23 -0.14 0.00 -0.44 0.00 0.00 34.13 30.48 3iai s GLU 169 CO 0.75 0.04 1.27 -1.91 0.95 0.00 0.00 175.26 176.36 3iai n GLU 170 N 2.02 1.64 0.00 -4.83 2.13 -1.23 -1.80 120.64 118.57 3iai n GLU 170 Ca 0.02 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.42 3iai n GLU 170 Cb 0.45 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 30.01 3iai n GLU 170 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3iai n GLY 171 N 1.97 2.02 3.86 8.31 0.00 0.32 -4.99 105.19 116.68 3iai n GLY 171 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3iai n GLY 171 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iai s SER 172 N -3.34 6.44 0.19 1.61 1.04 -0.74 -4.82 113.70 114.08 3iai s SER 172 Ca 0.00 1.42 -0.05 0.00 0.48 0.00 0.00 55.95 57.80 3iai s SER 172 Cb 0.00 -2.46 -0.03 0.00 0.10 0.00 0.00 66.02 63.64 3iai s SER 172 CO 0.00 -0.67 0.22 -1.83 0.98 0.00 0.00 173.24 171.94 3iai s GLU 173 N -4.51 1.23 0.12 4.02 -1.05 -1.26 -1.26 118.70 115.98 3iai s GLU 173 Ca 0.56 -1.43 -0.24 0.00 -0.15 0.00 0.00 54.97 53.70 3iai s GLU 173 Cb -0.10 0.33 0.07 0.00 -0.44 0.00 0.00 34.13 33.99 3iai s GLU 173 CO 0.41 -0.43 0.61 -0.08 0.95 0.00 0.00 175.26 176.72 3iai s THR 174 N -4.07 0.00 -0.09 1.83 -1.32 -0.26 -4.91 115.64 106.81 3iai s THR 174 Ca 0.29 -0.01 -0.14 0.00 -1.21 0.00 0.00 61.69 60.62 3iai s THR 174 Cb 0.05 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.99 3iai s THR 174 CO 0.07 -0.00 0.34 -1.10 -2.21 0.00 0.00 174.62 171.72 3iai s GLN 175 N -3.28 4.03 0.16 7.08 -1.52 -1.26 -0.52 119.66 124.35 3iai s GLN 175 Ca -0.01 0.22 0.09 0.00 -1.95 0.00 0.00 55.36 53.71 3iai s GLN 175 Cb -0.01 -3.32 -0.04 0.00 -0.22 0.00 0.00 33.01 29.42 3iai s GLN 175 CO -0.09 0.47 -0.21 0.14 -0.25 0.00 0.00 175.29 175.35 3iai s VAL 176 N -0.28 1.97 0.74 1.09 -7.23 0.74 -4.90 120.40 112.54 3iai s VAL 176 Ca 0.20 -1.89 -0.15 0.00 -1.81 0.00 0.00 61.98 58.32 3iai s VAL 176 Cb -0.14 -1.89 0.05 0.00 0.56 0.00 0.00 36.38 34.95 3iai s VAL 176 CO 0.08 -0.21 1.24 -2.84 -0.31 0.00 0.00 175.10 173.06 3iai s PRO 177 N -2.61 1.99 0.68 4.82 0.02 -1.26 -0.17 135.00 138.47 3iai s PRO 177 Ca 0.16 1.88 -0.17 0.00 0.02 0.00 0.00 61.00 62.88 3iai s PRO 177 Cb -0.07 -1.80 0.01 0.00 0.02 0.00 0.00 34.50 32.66 3iai s PRO 177 CO 0.07 -1.98 1.26 0.20 -0.33 0.00 0.00 177.00 176.22 3iai s GLY 178 N -1.86 2.66 0.16 0.52 0.00 -0.37 -4.64 107.32 103.79 3iai s GLY 178 Ca 0.77 1.08 -0.07 0.00 0.00 0.00 0.00 44.72 46.50 3iai s GLY 178 CO 0.46 1.50 0.23 0.48 0.00 0.00 0.00 173.10 175.77 3iai s LEU 179 N -4.67 1.13 -0.68 0.66 2.34 -1.26 -4.49 118.68 111.72 3iai s LEU 179 Ca 0.79 -1.00 -0.27 0.00 0.06 0.00 0.00 54.13 53.72 3iai s LEU 179 Cb -0.34 0.95 0.04 0.00 -0.56 0.00 0.00 46.19 46.28 3iai s LEU 179 CO 0.41 -0.87 1.20 -0.62 -1.06 0.00 0.00 176.35 175.42 3iai s ASP 180 N -3.01 6.25 0.31 1.48 -1.08 -1.26 -3.14 116.67 116.22 3iai s ASP 180 Ca 0.21 -0.36 0.00 0.00 -0.52 0.00 0.00 52.55 51.88 3iai s ASP 180 Cb 0.04 -2.54 0.49 0.00 -1.46 0.00 0.00 42.92 39.46 3iai s ASP 180 CO 0.02 -1.67 1.91 0.40 0.52 0.00 0.00 175.17 176.35 3iai h ILE 181 N 6.06 1.20 0.00 4.11 1.08 -1.53 -2.44 117.51 125.99 3iai h ILE 181 Ca -0.27 -0.59 0.00 0.00 -0.39 0.00 0.00 64.86 63.61 3iai h ILE 181 Cb 1.06 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 35.26 3iai h ILE 181 CO 1.23 0.24 0.00 0.77 -0.69 0.00 0.00 178.15 179.70 3iai h SER 182 N 0.84 0.00 0.71 1.72 4.64 -1.90 -2.14 113.55 117.43 3iai h SER 182 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3iai h SER 182 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3iai h SER 182 CO -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 3iai n ALA 183 N -2.07 1.88 1.29 5.18 0.00 -0.92 -2.13 120.51 123.73 3iai n ALA 183 Ca -0.01 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.52 3iai n ALA 183 Cb 0.21 -1.33 0.53 0.00 0.00 0.00 0.00 19.45 18.86 3iai n ALA 183 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3iai n LEU 184 N -1.63 0.51 -4.87 0.00 4.77 -0.80 -4.81 117.00 110.17 3iai n LEU 184 Ca 0.04 0.01 -0.21 0.00 -0.03 0.00 0.00 56.01 55.83 3iai n LEU 184 Cb 0.24 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3iai n LEU 184 CO 0.19 0.10 -0.10 -0.76 -1.33 0.00 0.00 177.39 175.48 3iai s LEU 185 N -2.60 3.88 1.09 2.23 1.43 -0.91 -4.97 118.68 118.84 3iai s LEU 185 Ca 0.24 -0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 52.96 3iai s LEU 185 Cb 0.19 -2.46 0.16 0.00 0.03 0.00 0.00 46.19 44.11 3iai s LEU 185 CO 0.52 -0.15 0.54 -2.65 0.23 0.00 0.00 176.35 174.84 3iai n PRO 186 N -1.31 -1.52 -0.06 1.29 -0.02 -1.26 -4.97 135.00 127.16 3iai n PRO 186 Ca -0.06 -0.41 -0.15 0.00 -2.02 0.00 0.00 63.50 60.86 3iai n PRO 186 Cb 0.58 -1.96 -0.04 0.00 -0.02 0.00 0.00 33.50 32.06 3iai n PRO 186 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3iai h SER 187 N -2.16 0.94 -3.61 2.55 0.87 -1.90 -3.43 113.55 106.80 3iai h SER 187 Ca -0.53 -0.54 -0.70 0.00 -1.23 0.00 0.00 61.79 58.79 3iai h SER 187 Cb 1.33 -0.27 -0.25 0.00 -0.44 0.00 0.00 62.40 62.76 3iai h SER 187 CO 0.41 1.33 -0.55 -0.62 -0.53 0.00 0.00 176.83 176.88 3iai s ASP 188 N -7.00 5.58 0.00 6.23 -1.08 -1.26 -4.96 116.67 114.18 3iai s ASP 188 Ca -0.10 -0.95 0.21 0.00 -0.52 0.00 0.00 52.55 51.19 3iai s ASP 188 Cb 0.10 -1.98 1.07 0.00 -1.46 0.00 0.00 42.92 40.65 3iai s ASP 188 CO 0.89 -0.34 1.71 0.49 0.52 0.00 0.00 175.17 178.45 3iai n PHE 189 N 4.95 0.06 0.91 -5.34 0.99 -1.26 -3.53 117.46 114.23 3iai n PHE 189 Ca -0.12 -0.03 0.09 0.00 -0.00 0.00 0.00 57.45 57.39 3iai n PHE 189 Cb 0.46 0.00 -0.09 0.00 -1.00 0.00 0.00 39.48 38.86 3iai n PHE 189 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3iai n SER 189 N -0.45 1.13 -4.20 4.37 3.41 -1.26 -1.42 113.62 115.19 3iai n SER 189 Ca 0.16 -1.07 -0.37 0.00 -0.26 0.00 0.00 58.87 57.33 3iai n SER 189 Cb 0.16 0.89 -0.12 0.00 -0.26 0.00 0.00 64.21 64.87 3iai n SER 189 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3iai s ARG 190 N -2.71 2.38 0.22 4.33 0.52 -1.23 -4.60 118.95 117.86 3iai s ARG 190 Ca 0.09 -1.47 -0.21 0.00 -0.52 0.00 0.00 55.73 53.63 3iai s ARG 190 Cb 0.15 -3.51 0.04 0.00 0.52 0.00 0.00 34.95 32.15 3iai s ARG 190 CO 0.74 -0.85 0.65 1.52 0.02 0.00 0.00 175.30 177.38 3iai s TYR 191 N 1.29 -0.32 0.11 -0.53 -0.85 -1.26 -1.27 117.35 114.52 3iai s TYR 191 Ca 0.02 -0.03 0.05 0.00 -0.52 0.00 0.00 57.07 56.58 3iai s TYR 191 Cb -0.21 0.61 -0.04 0.00 0.38 0.00 0.00 41.96 42.70 3iai s TYR 191 CO -0.00 -1.05 0.03 -0.06 -1.52 0.00 0.00 175.55 172.95 3iai s PHE 192 N -3.85 3.04 -0.05 -3.49 0.40 0.06 -1.08 117.98 113.00 3iai s PHE 192 Ca 0.07 -0.02 -0.06 0.00 -0.60 0.00 0.00 56.93 56.33 3iai s PHE 192 Cb -0.03 -1.53 0.01 0.00 0.51 0.00 0.00 43.02 41.98 3iai s PHE 192 CO -0.02 0.50 0.16 -1.14 0.70 0.00 0.00 175.22 175.41 3iai s GLN 193 N -2.50 0.24 0.19 0.44 0.74 0.51 -0.75 119.66 118.52 3iai s GLN 193 Ca 0.27 0.11 -0.23 0.00 0.05 0.00 0.00 55.36 55.56 3iai s GLN 193 Cb -0.11 0.11 0.05 0.00 1.10 0.00 0.00 33.01 34.16 3iai s GLN 193 CO 0.20 -0.04 0.78 1.52 -0.55 0.00 0.00 175.29 177.20 3iai s TYR 194 N -0.17 -0.26 -0.17 1.67 -0.85 -0.77 -0.99 117.35 115.80 3iai s TYR 194 Ca -0.03 -0.07 -0.07 0.00 -0.52 0.00 0.00 57.07 56.38 3iai s TYR 194 Cb -0.02 0.64 -0.04 0.00 0.38 0.00 0.00 41.96 42.92 3iai s TYR 194 CO 0.00 -0.98 0.06 -2.00 -1.52 0.00 0.00 175.55 171.12 3iai s GLU 195 N -3.63 3.83 0.00 -3.49 2.12 -1.26 -0.84 118.70 115.42 3iai s GLU 195 Ca 0.09 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.09 3iai s GLU 195 Cb -0.03 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.19 3iai s GLU 195 CO -0.00 0.37 0.00 0.41 -0.54 0.00 0.00 175.26 175.50 3iai n GLY 196 N 3.24 4.49 3.30 -1.50 0.00 0.52 -4.91 105.19 110.33 3iai n GLY 196 Ca -0.17 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.19 3iai n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iai s SER 197 N 1.45 1.59 0.51 1.61 1.04 -1.25 -1.42 113.70 117.23 3iai s SER 197 Ca 0.00 -1.70 -0.20 0.00 0.48 0.00 0.00 55.95 54.53 3iai s SER 197 Cb 0.00 0.52 -0.07 0.00 0.10 0.00 0.00 66.02 66.57 3iai s SER 197 CO 0.00 -1.01 1.10 -0.76 0.98 0.00 0.00 173.24 173.55 3iai s LEU 198 N -3.37 3.81 0.00 2.42 1.43 -0.64 -4.34 118.68 117.99 3iai s LEU 198 Ca 0.39 2.11 0.26 0.00 -1.03 0.00 0.00 54.13 55.85 3iai s LEU 198 Cb 0.03 -4.54 1.02 0.00 0.03 0.00 0.00 46.19 42.73 3iai s LEU 198 CO 0.24 -1.04 1.72 0.35 0.23 0.00 0.00 176.35 177.85 3iai n THR 199 N -1.10 0.06 -4.12 5.49 -2.24 -1.26 -4.38 114.28 106.73 3iai n THR 199 Ca 0.10 -0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 3iai n THR 199 Cb 0.51 0.37 -0.11 0.00 -2.10 0.00 0.00 70.33 69.01 3iai n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3iai s THR 200 N -1.94 0.63 0.46 4.28 -4.23 -1.26 -4.72 115.64 108.86 3iai s THR 200 Ca 0.37 -1.51 -0.22 0.00 -1.18 0.00 0.00 61.69 59.15 3iai s THR 200 Cb 0.20 -1.15 -0.11 0.00 1.34 0.00 0.00 72.50 72.78 3iai s THR 200 CO 0.31 -0.62 0.66 -2.65 -0.54 0.00 0.00 174.62 171.79 3iai n PRO 201 N 0.71 0.74 0.00 3.99 -0.02 -1.26 -0.86 135.00 138.31 3iai n PRO 201 Ca -0.17 0.27 0.05 0.00 -2.02 0.00 0.00 63.50 61.63 3iai n PRO 201 Cb 0.58 -1.69 0.28 0.00 -0.02 0.00 0.00 33.50 32.64 3iai n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3iai n PRO 202 N 0.29 0.65 -2.67 0.52 -0.04 -1.26 -4.97 135.00 127.51 3iai n PRO 202 Ca 0.11 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.42 3iai n PRO 202 Cb 0.41 -1.22 -0.00 0.00 -0.04 0.00 0.00 33.50 32.65 3iai n PRO 202 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iai n ALA 204 N -2.57 0.91 -2.29 0.00 0.00 -1.26 -4.20 120.51 111.10 3iai n ALA 204 Ca -0.12 0.36 -0.17 0.00 0.00 0.00 0.00 53.44 53.50 3iai n ALA 204 Cb 0.60 -2.20 0.11 0.00 0.00 0.00 0.00 19.45 17.96 3iai n ALA 204 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3iai n GLN 205 N 0.54 -0.23 -0.76 0.00 6.02 -1.26 -1.62 117.38 120.07 3iai n GLN 205 Ca 0.06 -1.90 0.00 0.00 -0.01 0.00 0.00 57.00 55.15 3iai n GLN 205 Cb 0.35 -0.65 0.00 0.00 1.02 0.00 0.00 30.24 30.97 3iai n GLN 205 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iai n GLY 206 N -0.98 0.63 3.72 1.08 0.00 -0.51 -3.21 105.19 105.91 3iai n GLY 206 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3iai n GLY 206 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iai s VAL 207 N -2.04 4.97 -0.31 1.61 1.01 -0.60 -0.54 120.40 124.50 3iai s VAL 207 Ca 0.00 1.55 -0.20 0.00 0.00 0.00 0.00 61.98 63.33 3iai s VAL 207 Cb 0.00 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 3iai s VAL 207 CO 0.00 0.26 0.62 -0.63 0.00 0.00 0.00 175.10 175.35 3iai s ILE 208 N 0.67 4.95 -0.18 2.22 1.01 -0.60 -0.35 121.20 128.91 3iai s ILE 208 Ca 0.39 0.81 -0.09 0.00 0.00 0.00 0.00 60.65 61.76 3iai s ILE 208 Cb -0.19 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 3iai s ILE 208 CO 0.20 -0.14 0.12 0.26 0.00 0.00 0.00 174.94 175.38 3iai s TRP 209 N 2.58 3.43 -0.19 3.97 0.52 -0.02 -1.31 118.94 127.92 3iai s TRP 209 Ca 0.24 0.35 0.00 0.00 0.02 0.00 0.00 56.10 56.72 3iai s TRP 209 Cb -0.15 -2.10 0.04 0.00 -1.15 0.00 0.00 33.47 30.11 3iai s TRP 209 CO 0.12 0.37 -0.09 0.99 0.02 0.00 0.00 176.95 178.36 3iai s THR 210 N 0.06 1.49 -0.27 2.01 2.01 -0.75 -1.85 115.64 118.33 3iai s THR 210 Ca 0.09 -0.87 -0.04 0.00 0.31 0.00 0.00 61.69 61.17 3iai s THR 210 Cb -0.11 -1.58 0.02 0.00 0.01 0.00 0.00 72.50 70.83 3iai s THR 210 CO -0.01 0.18 0.01 -0.69 -0.69 0.00 0.00 174.62 173.43 3iai s VAL 211 N 1.47 3.46 0.41 3.82 1.01 0.07 -0.46 120.40 130.18 3iai s VAL 211 Ca -0.00 -0.84 -0.27 0.00 0.00 0.00 0.00 61.98 60.87 3iai s VAL 211 Cb -0.16 -2.77 -0.10 0.00 0.00 0.00 0.00 36.38 33.36 3iai s VAL 211 CO -0.08 0.14 1.47 0.49 0.00 0.00 0.00 175.10 177.11 3iai n PHE 212 N 4.77 2.87 0.09 5.22 3.01 -0.38 -0.76 117.46 132.29 3iai n PHE 212 Ca -0.15 0.44 -0.04 0.00 1.01 0.00 0.00 57.45 58.71 3iai n PHE 212 Cb 0.48 -2.50 -0.03 0.00 -0.01 0.00 0.00 39.48 37.41 3iai n PHE 212 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 3iai h ASN 213 N 2.64 0.00 -3.16 4.37 -0.00 -1.51 -3.44 115.58 114.48 3iai h ASN 213 Ca -0.51 0.00 -0.58 0.00 -0.00 0.00 0.00 56.30 55.21 3iai h ASN 213 Cb 1.25 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 39.53 3iai h ASN 213 CO 0.63 0.83 -0.26 -1.10 -0.00 0.00 0.00 177.43 177.53 3iai s GLN 214 N -2.92 3.71 0.52 6.67 -0.21 -1.26 -5.07 119.66 121.11 3iai s GLN 214 Ca 0.01 0.09 0.08 0.00 0.02 0.00 0.00 55.36 55.56 3iai s GLN 214 Cb 0.10 -2.91 0.04 0.00 1.00 0.00 0.00 33.01 31.24 3iai s GLN 214 CO 0.79 0.51 0.55 0.95 -2.12 0.00 0.00 175.29 175.97 3iai s THR 215 N -1.53 2.10 0.09 -0.19 -4.23 -1.26 -4.64 115.64 105.98 3iai s THR 215 Ca 0.37 -1.25 0.09 0.00 -1.18 0.00 0.00 61.69 59.72 3iai s THR 215 Cb -0.13 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 3iai s THR 215 CO 0.21 0.00 -0.25 0.68 -0.54 0.00 0.00 174.62 174.72 3iai s VAL 216 N -2.65 2.04 -0.08 2.29 -7.23 -0.84 -4.72 120.40 109.20 3iai s VAL 216 Ca 0.48 -1.54 -0.01 0.00 -1.81 0.00 0.00 61.98 59.10 3iai s VAL 216 Cb -0.04 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 3iai s VAL 216 CO 0.30 0.14 -0.03 -0.04 -0.31 0.00 0.00 175.10 175.16 3iai s MET 217 N -1.70 2.89 0.16 4.82 -1.94 -1.26 -0.30 119.30 121.96 3iai s MET 217 Ca 0.11 -0.48 0.08 0.00 -1.71 0.00 0.00 55.69 53.69 3iai s MET 217 Cb -0.10 -2.70 -0.04 0.00 2.01 0.00 0.00 34.83 34.00 3iai s MET 217 CO 0.04 0.67 -0.17 -0.51 -0.01 0.00 0.00 175.02 175.05 3iai s LEU 218 N -0.82 2.44 0.74 -0.03 1.02 0.41 -4.34 118.68 118.10 3iai s LEU 218 Ca 0.12 -0.87 -0.11 0.00 0.02 0.00 0.00 54.13 53.29 3iai s LEU 218 Cb -0.11 -0.74 0.04 0.00 0.02 0.00 0.00 46.19 45.39 3iai s LEU 218 CO 0.02 -0.08 1.08 -0.94 0.02 0.00 0.00 176.35 176.45 3iai s SER 219 N -2.69 5.01 0.30 2.29 1.04 -1.22 0.37 113.70 118.81 3iai s SER 219 Ca 0.15 1.40 0.01 0.00 0.48 0.00 0.00 55.95 57.99 3iai s SER 219 Cb -0.05 -2.21 0.53 0.00 0.10 0.00 0.00 66.02 64.39 3iai s SER 219 CO 0.06 -1.65 1.92 0.00 0.98 0.00 0.00 173.24 174.55 3iai h ALA 220 N -0.87 1.51 -0.51 5.32 0.00 -1.92 -1.12 119.26 121.67 3iai h ALA 220 Ca -0.45 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 3iai h ALA 220 Cb 1.24 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3iai h ALA 220 CO 0.59 0.37 0.08 -0.22 0.00 0.00 0.00 179.25 180.08 3iai h LYS 221 N 1.03 0.85 -0.56 0.00 3.64 -1.93 -1.60 116.57 118.00 3iai h LYS 221 Ca 0.37 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 3iai h LYS 221 Cb 0.15 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3iai h LYS 221 CO -0.13 0.84 0.17 1.96 -2.27 0.00 0.00 179.45 180.02 3iai h GLN 222 N 0.73 0.87 -0.34 1.90 4.20 -1.69 -0.49 115.11 120.30 3iai h GLN 222 Ca 0.16 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 3iai h GLN 222 Cb 0.40 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 3iai h GLN 222 CO 0.01 0.80 0.04 -0.07 -0.67 0.00 0.00 178.83 178.94 3iai h LEU 223 N 0.79 0.46 -0.39 1.46 3.38 -1.09 0.05 115.31 119.97 3iai h LEU 223 Ca 0.18 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 3iai h LEU 223 Cb 0.29 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3iai h LEU 223 CO -0.00 0.50 -0.18 -0.74 0.09 0.00 0.00 178.44 178.11 3iai h HIS 224 N 0.49 0.94 -0.83 1.13 2.76 -0.76 -2.31 115.15 116.57 3iai h HIS 224 Ca 0.11 -0.23 -0.04 0.00 -2.20 0.00 0.00 60.37 58.02 3iai h HIS 224 Cb 0.25 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 28.96 3iai h HIS 224 CO 0.01 0.98 0.38 1.15 -1.30 0.00 0.00 177.93 179.15 3iai h THR 225 N 0.62 1.26 -0.49 6.26 2.02 -0.34 -1.85 112.91 120.39 3iai h THR 225 Ca 0.09 -0.76 -0.10 0.00 0.77 0.00 0.00 66.41 66.42 3iai h THR 225 Cb 0.73 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 3iai h THR 225 CO 0.06 0.32 -0.09 0.25 0.37 0.00 0.00 175.52 176.43 3iai h LEU 226 N 1.19 0.86 -2.82 2.58 5.85 -0.86 -3.22 115.31 118.90 3iai h LEU 226 Ca 0.28 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3iai h LEU 226 Cb 0.15 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.95 3iai h LEU 226 CO -0.03 0.97 0.00 -1.54 -0.34 0.00 0.00 178.44 177.50 3iai n SER 227 N -4.16 3.97 -0.95 1.25 3.41 -0.88 -4.52 113.62 111.73 3iai n SER 227 Ca 0.02 -2.06 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 3iai n SER 227 Cb 0.37 -0.48 -0.00 0.00 -0.26 0.00 0.00 64.21 63.83 3iai n SER 227 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3iai n ASP 227 N 1.48 0.22 -0.05 4.04 2.03 -0.71 -4.74 116.55 118.81 3iai n ASP 227 Ca 0.24 -1.86 -0.12 0.00 0.52 0.00 0.00 54.79 53.56 3iai n ASP 227 Cb 0.64 -0.14 -0.04 0.00 -0.72 0.00 0.00 41.12 40.86 3iai n ASP 227 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3iai n THR 228 N 0.19 0.63 -2.47 5.18 -1.04 -1.22 -4.98 114.28 110.57 3iai n THR 228 Ca -0.02 -0.14 -0.36 0.00 -2.04 0.00 0.00 64.05 61.48 3iai n THR 228 Cb 0.84 -1.66 -0.03 0.00 -1.82 0.00 0.00 70.33 67.66 3iai n THR 228 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3iai s LEU 229 N -6.62 4.09 -0.16 -4.42 1.43 -1.26 -4.75 118.68 106.98 3iai s LEU 229 Ca -0.15 2.10 -0.09 0.00 -1.03 0.00 0.00 54.13 54.95 3iai s LEU 229 Cb 0.06 -4.22 -0.05 0.00 0.03 0.00 0.00 46.19 42.01 3iai s LEU 229 CO 0.20 -0.62 0.16 0.26 0.23 0.00 0.00 176.35 176.57 3iai s TRP 230 N -1.65 3.49 0.00 0.29 0.52 0.13 -0.67 118.94 121.05 3iai s TRP 230 Ca 0.60 0.45 0.00 0.00 0.02 0.00 0.00 56.10 57.16 3iai s TRP 230 Cb -0.23 -2.11 0.00 0.00 -1.15 0.00 0.00 33.47 29.98 3iai s TRP 230 CO 0.29 0.45 0.00 0.41 0.02 0.00 0.00 176.95 178.12 3iai n GLY 231 N 2.92 1.92 3.77 0.98 0.00 0.21 -3.50 105.19 111.48 3iai n GLY 231 Ca -0.17 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.41 3iai n GLY 231 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3iai s PRO 232 N 2.17 4.18 -0.08 1.61 0.02 -1.26 -3.95 135.00 137.68 3iai s PRO 232 Ca 0.00 1.88 -0.00 0.00 0.02 0.00 0.00 61.00 62.90 3iai s PRO 232 Cb 0.00 -2.80 0.00 0.00 0.02 0.00 0.00 34.50 31.72 3iai s PRO 232 CO 0.00 -0.22 0.06 0.41 -0.33 0.00 0.00 177.00 176.92 3iai n GLY 237 N 0.73 0.79 4.11 0.52 0.00 -1.26 -4.06 105.19 106.02 3iai n GLY 237 Ca 0.03 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 3iai n GLY 237 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iai n ASP 238 N 1.31 -0.41 -3.97 1.61 8.00 -1.25 -4.96 116.55 116.88 3iai n ASP 238 Ca -0.00 -1.09 -0.11 0.00 0.71 0.00 0.00 54.79 54.30 3iai n ASP 238 Cb 0.50 -2.56 -0.12 0.00 -0.02 0.00 0.00 41.12 38.92 3iai n ASP 238 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3iai s SER 239 N -4.19 0.29 0.22 -2.24 0.15 -1.26 -5.02 113.70 101.65 3iai s SER 239 Ca 0.13 -0.38 -0.32 0.00 0.70 0.00 0.00 55.95 56.08 3iai s SER 239 Cb -0.07 0.06 -0.13 0.00 -1.71 0.00 0.00 66.02 64.17 3iai s SER 239 CO 0.93 -0.21 1.50 0.54 1.20 0.00 0.00 173.24 177.20 3iai n ARG 240 N 1.96 2.20 -2.19 5.44 5.12 -1.26 0.65 116.66 128.58 3iai n ARG 240 Ca -0.21 0.79 -0.41 0.00 -1.93 0.00 0.00 57.85 56.09 3iai n ARG 240 Cb 0.56 -2.50 -0.03 0.00 -1.16 0.00 0.00 32.46 29.33 3iai n ARG 240 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3iai s LEU 241 N 0.30 3.42 0.15 0.55 0.20 0.15 -4.45 118.68 119.00 3iai s LEU 241 Ca 0.71 0.64 -0.04 0.00 0.69 0.00 0.00 54.13 56.13 3iai s LEU 241 Cb -0.63 -3.10 -0.03 0.00 -0.43 0.00 0.00 46.19 42.00 3iai s LEU 241 CO 0.45 -1.85 0.15 -1.10 -0.29 0.00 0.00 176.35 173.71 3iai s GLN 242 N 5.88 1.04 -1.61 1.98 -0.21 -1.26 -4.74 119.66 120.75 3iai s GLN 242 Ca 0.65 -1.37 -0.15 0.00 0.02 0.00 0.00 55.36 54.51 3iai s GLN 242 Cb -0.15 0.29 0.11 0.00 1.00 0.00 0.00 33.01 34.27 3iai s GLN 242 CO 0.27 -0.34 0.83 1.28 -2.12 0.00 0.00 175.29 175.21 3iai n LEU 243 N -0.16 -2.10 -3.60 2.90 4.77 -0.37 -4.83 117.00 113.62 3iai n LEU 243 Ca -0.05 -0.92 -0.41 0.00 -0.03 0.00 0.00 56.01 54.60 3iai n LEU 243 Cb 0.64 -2.29 -0.01 0.00 -2.33 0.00 0.00 43.42 39.43 3iai n LEU 243 CO 0.29 0.37 2.50 -0.46 -1.33 0.00 0.00 177.39 178.76 3iai n ASN 244 N -2.76 6.69 -3.97 -1.43 6.94 -0.90 -4.88 115.26 114.95 3iai n ASN 244 Ca 0.02 -2.98 -0.09 0.00 -0.02 0.00 0.00 54.58 51.51 3iai n ASN 244 Cb 0.53 -1.48 -0.10 0.00 -2.36 0.00 0.00 39.78 36.37 3iai n ASN 244 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3iai s PHE 245 N 0.57 0.27 0.08 -2.53 -0.12 -1.26 -4.34 117.98 110.64 3iai s PHE 245 Ca 0.52 -0.61 -0.07 0.00 -0.05 0.00 0.00 56.93 56.71 3iai s PHE 245 Cb 0.15 -0.20 -0.05 0.00 -0.63 0.00 0.00 43.02 42.29 3iai s PHE 245 CO -0.06 -0.33 0.35 0.50 -0.05 0.00 0.00 175.22 175.63 3iai s ARG 246 N -2.62 3.66 0.60 1.99 3.52 -1.26 -4.99 118.95 119.85 3iai s ARG 246 Ca -0.05 0.01 -0.18 0.00 -0.13 0.00 0.00 55.73 55.37 3iai s ARG 246 Cb -0.01 -2.97 -0.03 0.00 -1.56 0.00 0.00 34.95 30.37 3iai s ARG 246 CO -0.05 0.56 1.20 0.00 -0.81 0.00 0.00 175.30 176.20 3iai s ALA 247 N -1.46 2.52 0.52 6.12 0.00 -1.26 -4.75 121.76 123.46 3iai s ALA 247 Ca 0.34 0.98 -0.22 0.00 0.00 0.00 0.00 51.96 53.06 3iai s ALA 247 Cb -0.13 -3.45 -0.06 0.00 0.00 0.00 0.00 23.12 19.49 3iai s ALA 247 CO 0.20 -1.20 1.29 0.95 0.00 0.00 0.00 175.76 177.01 3iai s THR 248 N -1.64 2.41 0.05 0.00 -4.23 -1.26 -4.46 115.64 106.50 3iai s THR 248 Ca 0.77 0.30 0.03 0.00 -1.18 0.00 0.00 61.69 61.62 3iai s THR 248 Cb -0.30 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.35 3iai s THR 248 CO 0.34 -0.01 -0.00 -1.10 -0.54 0.00 0.00 174.62 173.31 3iai s GLN 249 N -2.86 2.64 0.43 3.99 -1.52 0.28 -4.94 119.66 117.68 3iai s GLN 249 Ca 0.69 -0.74 -0.25 0.00 -1.95 0.00 0.00 55.36 53.11 3iai s GLN 249 Cb -0.36 -2.59 -0.08 0.00 -0.22 0.00 0.00 33.01 29.76 3iai s GLN 249 CO 0.43 0.58 1.32 -1.25 -0.25 0.00 0.00 175.29 176.12 3iai s PRO 250 N -1.96 3.82 0.39 2.91 0.04 -1.26 -4.41 135.00 134.53 3iai s PRO 250 Ca 0.23 2.17 0.14 0.00 0.04 0.00 0.00 61.00 63.58 3iai s PRO 250 Cb -0.12 -2.66 0.81 0.00 0.04 0.00 0.00 34.50 32.57 3iai s PRO 250 CO 0.15 -0.62 1.87 -0.07 0.04 0.00 0.00 177.00 178.36 3iai h LEU 251 N 2.44 0.00 -1.59 -3.56 3.38 -1.91 -3.42 115.31 110.64 3iai h LEU 251 Ca -0.50 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 56.96 3iai h LEU 251 Cb 1.25 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.92 3iai h LEU 251 CO 0.62 0.32 -0.86 0.59 0.09 0.00 0.00 178.44 179.20 3iai n ASN 252 N -4.10 -1.60 0.00 -0.43 3.02 -1.26 -1.63 115.26 109.25 3iai n ASN 252 Ca -0.02 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 3iai n ASN 252 Cb 0.37 -3.11 0.00 0.00 -0.61 0.00 0.00 39.78 36.44 3iai n ASN 252 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iai n GLY 253 N -1.78 3.41 3.76 7.41 0.00 -1.26 -5.04 105.19 111.69 3iai n GLY 253 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 3iai n GLY 253 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iai s ARG 254 N -0.85 3.60 -0.19 1.61 0.52 -0.65 -5.00 118.95 117.98 3iai s ARG 254 Ca 0.00 2.07 -0.02 0.00 -0.52 0.00 0.00 55.73 57.25 3iai s ARG 254 Cb 0.00 -2.47 -0.01 0.00 0.52 0.00 0.00 34.95 33.00 3iai s ARG 254 CO 0.00 -0.77 -0.08 0.08 0.02 0.00 0.00 175.30 174.55 3iai s VAL 255 N -1.37 3.16 0.18 3.52 1.01 -1.26 -4.90 120.40 120.74 3iai s VAL 255 Ca 0.64 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 3iai s VAL 255 Cb -0.36 -2.40 -0.08 0.00 0.00 0.00 0.00 36.38 33.54 3iai s VAL 255 CO 0.44 0.46 0.99 -0.63 0.00 0.00 0.00 175.10 176.37 3iai s ILE 256 N 1.15 4.13 0.03 2.22 1.01 -1.26 -4.88 121.20 123.61 3iai s ILE 256 Ca 0.01 1.94 -0.00 0.00 0.00 0.00 0.00 60.65 62.60 3iai s ILE 256 Cb -0.14 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 3iai s ILE 256 CO -0.02 0.38 0.15 -1.61 0.00 0.00 0.00 174.94 173.84 3iai s GLU 257 N -0.62 3.25 -0.04 2.79 2.02 -0.16 -0.09 118.70 125.85 3iai s GLU 257 Ca 0.45 -0.47 0.07 0.00 0.02 0.00 0.00 54.97 55.03 3iai s GLU 257 Cb -0.26 -2.95 -0.02 0.00 0.10 0.00 0.00 34.13 31.00 3iai s GLU 257 CO 0.33 0.62 -0.24 0.00 0.02 0.00 0.00 175.26 175.99 3iai s ALA 258 N -1.37 2.23 -2.16 5.21 0.00 0.08 -0.37 121.76 125.39 3iai s ALA 258 Ca 0.29 -1.07 0.23 0.00 0.00 0.00 0.00 51.96 51.41 3iai s ALA 258 Cb -0.13 -0.66 1.11 0.00 0.00 0.00 0.00 23.12 23.44 3iai s ALA 258 CO 0.22 0.48 1.74 -1.13 0.00 0.00 0.00 175.76 177.07 3iai n SER 259 N 2.66 0.74 -3.98 0.00 3.41 -0.24 -1.04 113.62 115.18 3iai n SER 259 Ca -0.17 -1.46 -0.10 0.00 -0.26 0.00 0.00 58.87 56.89 3iai n SER 259 Cb 0.52 -0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.32 3iai n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3iai s PHE 260 N -1.93 0.27 -2.00 7.33 -0.71 -1.26 -4.86 117.98 114.81 3iai s PHE 260 Ca 0.34 -0.49 0.14 0.00 -1.04 0.00 0.00 56.93 55.88 3iai s PHE 260 Cb 0.17 -0.19 0.84 0.00 -1.21 0.00 0.00 43.02 42.62 3iai s PHE 260 CO 0.27 -0.17 1.26 -0.35 -1.34 0.00 0.00 175.22 174.89