#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 1.70 0.33 1.57 1.48 -1.26 -4.61 118.94 118.14 3iai s TRP 5 Ca 0.00 1.69 -0.16 0.00 -1.06 0.00 0.00 56.10 56.57 3iai s TRP 5 Cb 0.00 -3.28 0.03 0.00 -1.16 0.00 0.00 33.47 29.06 3iai s TRP 5 CO 0.00 -2.81 0.70 -0.98 -4.06 0.00 0.00 176.95 169.80 3iai s ARG 6 N -4.66 1.96 0.03 3.25 1.70 -1.26 -5.00 118.95 114.96 3iai s ARG 6 Ca 0.66 -1.27 -0.15 0.00 -0.47 0.00 0.00 55.73 54.50 3iai s ARG 6 Cb -0.22 0.59 -0.06 0.00 -0.57 0.00 0.00 34.95 34.69 3iai s ARG 6 CO 0.58 -0.89 0.45 0.71 -1.08 0.00 0.00 175.30 175.07 3iai s TYR 7 N -3.19 3.73 -1.30 5.89 1.51 -1.26 -4.38 117.35 118.34 3iai s TYR 7 Ca 0.16 1.04 -0.03 0.00 -1.01 0.00 0.00 57.07 57.23 3iai s TYR 7 Cb -0.05 -2.33 0.00 0.00 -0.11 0.00 0.00 41.96 39.48 3iai s TYR 7 CO 0.10 0.61 0.37 0.41 -1.11 0.00 0.00 175.55 175.93 3iai n GLY 8 N 1.65 -0.30 0.00 0.71 0.00 -1.26 -4.98 105.19 101.01 3iai n GLY 8 Ca -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.29 0.62 3.63 -0.02 0.00 -1.26 -5.16 105.19 101.71 3iai n GLY 9 Ca -0.12 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 3iai n GLY 9 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iai n ASP 10 N 0.00 -0.07 -4.80 1.61 8.00 -1.26 -4.56 116.55 115.47 3iai n ASP 10 Ca 0.00 0.37 -0.34 0.00 0.71 0.00 0.00 54.79 55.53 3iai n ASP 10 Cb 0.00 -1.43 -0.03 0.00 -0.02 0.00 0.00 41.12 39.63 3iai n ASP 10 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3iai s PRO 11 N -4.51 3.81 0.17 -0.24 0.04 -1.26 -4.59 135.00 128.42 3iai s PRO 11 Ca 0.66 1.30 -0.33 0.00 0.04 0.00 0.00 61.00 62.66 3iai s PRO 11 Cb -0.23 -2.10 -0.13 0.00 0.04 0.00 0.00 34.50 32.08 3iai s PRO 11 CO 0.60 -0.41 1.61 -2.30 0.04 0.00 0.00 177.00 176.54 3iai n PRO 15 N -1.06 2.32 -0.33 0.56 -0.02 -1.26 -4.76 135.00 130.44 3iai n PRO 15 Ca 0.09 0.84 0.07 0.00 -2.02 0.00 0.00 63.50 62.48 3iai n PRO 15 Cb 0.53 -2.62 0.24 0.00 -0.02 0.00 0.00 33.50 31.62 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 6.12 0.99 0.00 6.00 4.06 -1.93 0.38 115.95 131.58 3iai h TRP 16 Ca -0.44 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.53 3iai h TRP 16 Cb 1.24 -0.30 -0.00 0.00 -1.00 0.00 0.00 29.16 29.10 3iai h TRP 16 CO 0.63 0.33 -0.04 -1.35 -3.56 0.00 0.00 178.44 174.45 3iai h PRO 17 N 0.83 0.00 -0.07 0.49 0.11 -1.88 0.37 132.00 131.85 3iai h PRO 17 Ca 0.49 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.37 3iai h PRO 17 Cb 0.58 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.70 3iai h PRO 17 CO -0.31 0.04 -0.87 0.00 -0.21 0.00 0.00 178.00 176.65 3iai h ARG 18 N 0.00 0.63 -0.31 1.05 2.47 -1.29 -2.93 114.38 114.00 3iai h ARG 18 Ca -0.00 -0.58 -0.12 0.00 -1.26 0.00 0.00 59.98 58.02 3iai h ARG 18 Cb 0.09 0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 3iai h ARG 18 CO 0.00 1.19 -0.28 0.28 0.56 0.00 0.00 179.97 181.73 3iai h VAL 19 N 0.40 1.30 -2.30 2.04 2.07 -0.55 -3.44 116.25 115.76 3iai h VAL 19 Ca -0.07 -1.44 -0.06 0.00 0.82 0.00 0.00 66.70 65.94 3iai h VAL 19 Cb 1.49 1.53 -0.26 0.00 -1.52 0.00 0.00 31.29 32.53 3iai h VAL 19 CO 0.17 0.47 -0.33 -0.55 0.02 0.00 0.00 177.57 177.34 3iai s SER 20 N -6.57 -0.41 0.42 0.57 0.15 0.11 -5.00 113.70 102.97 3iai s SER 20 Ca -0.12 1.02 0.17 0.00 0.70 0.00 0.00 55.95 57.72 3iai s SER 20 Cb 0.09 1.53 1.08 0.00 -1.71 0.00 0.00 66.02 67.01 3iai s SER 20 CO 0.83 -0.24 1.86 -0.65 1.20 0.00 0.00 173.24 176.25 3iai h PRO 21 N 8.14 0.40 -0.10 5.44 0.11 -1.76 -0.34 132.00 143.89 3iai h PRO 21 Ca -0.17 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.95 3iai h PRO 21 Cb 1.11 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3iai h PRO 21 CO 0.14 0.26 0.14 0.00 -0.21 0.00 0.00 178.00 178.33 3iai h ALA 22 N 1.61 1.57 0.00 -0.75 0.00 -1.88 -0.41 119.26 119.41 3iai h ALA 22 Ca 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3iai h ALA 22 Cb 1.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3iai h ALA 22 CO -0.17 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 178.89 3iai n ALA 24 N -1.31 2.63 -0.90 0.00 0.00 -0.16 -4.81 120.51 115.97 3iai n ALA 24 Ca 0.05 -2.00 -0.30 0.00 0.00 0.00 0.00 53.44 51.19 3iai n ALA 24 Cb 0.09 -0.55 0.15 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.79 1.66 0.42 0.00 0.00 -0.20 -4.94 107.32 102.47 3iai s GLY 25 Ca 0.33 0.32 0.23 0.00 0.00 0.00 0.00 44.72 45.60 3iai s GLY 25 CO 0.09 0.77 1.64 -0.09 0.00 0.00 0.00 173.10 175.51 3iai h ARG 26 N -1.73 0.00 -2.72 2.90 2.43 -1.96 -3.38 114.38 109.91 3iai h ARG 26 Ca -0.47 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.09 3iai h ARG 26 Cb 1.27 0.00 -0.42 0.00 -0.42 0.00 0.00 29.97 30.40 3iai h ARG 26 CO 0.47 0.13 -0.60 1.19 -1.51 0.00 0.00 179.97 179.65 3iai n PHE 27 N -3.15 3.22 -3.18 2.20 3.01 -1.26 -4.75 117.46 113.54 3iai n PHE 27 Ca 0.03 -4.22 -0.19 0.00 1.01 0.00 0.00 57.45 54.07 3iai n PHE 27 Cb 0.54 -0.57 0.02 0.00 -0.01 0.00 0.00 39.48 39.46 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 -1.79 2.53 0.17 -1.08 -1.52 -1.26 -3.92 119.66 112.78 3iai s GLN 28 Ca 0.31 -1.52 0.07 0.00 -1.95 0.00 0.00 55.36 52.27 3iai s GLN 28 Cb 0.03 -2.60 -0.04 0.00 -0.22 0.00 0.00 33.01 30.18 3iai s GLN 28 CO -0.11 -0.53 -0.14 -1.12 -0.25 0.00 0.00 175.29 173.14 3iai s SER 29 N -4.44 2.33 0.87 5.90 0.01 -1.26 -4.57 113.70 112.54 3iai s SER 29 Ca 0.55 -0.93 -0.12 0.00 1.31 0.00 0.00 55.95 56.75 3iai s SER 29 Cb -0.07 -0.10 0.15 0.00 0.21 0.00 0.00 66.02 66.21 3iai s SER 29 CO 0.33 -0.16 1.22 -2.16 0.41 0.00 0.00 173.24 172.88 3iai s PRO 30 N -3.25 1.20 0.21 12.44 0.04 -1.26 -4.51 135.00 139.88 3iai s PRO 30 Ca 0.17 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 60.81 3iai s PRO 30 Cb -0.02 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 3iai s PRO 30 CO 0.05 -2.00 0.09 0.14 0.04 0.00 0.00 177.00 175.32 3iai s VAL 31 N -3.66 0.37 -0.16 -0.36 -7.23 -1.26 0.67 120.40 108.77 3iai s VAL 31 Ca 0.69 -1.99 -0.17 0.00 -1.81 0.00 0.00 61.98 58.70 3iai s VAL 31 Cb -0.06 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 3iai s VAL 31 CO 0.50 -0.13 0.45 -0.62 -0.31 0.00 0.00 175.10 174.99 3iai s ASP 32 N -3.22 6.57 -0.26 4.85 3.68 -1.26 -2.75 116.67 124.28 3iai s ASP 32 Ca 0.34 0.68 -0.12 0.00 2.13 0.00 0.00 52.55 55.58 3iai s ASP 32 Cb 0.07 -2.26 -0.05 0.00 -1.45 0.00 0.00 42.92 39.23 3iai s ASP 32 CO 0.10 -0.05 0.25 -0.63 0.13 0.00 0.00 175.17 174.97 3iai s ILE 33 N 1.02 5.28 -0.48 4.11 1.01 0.65 -4.91 121.20 127.88 3iai s ILE 33 Ca 0.23 0.33 -0.07 0.00 0.00 0.00 0.00 60.65 61.14 3iai s ILE 33 Cb -0.15 -3.59 0.12 0.00 0.01 0.00 0.00 42.46 38.86 3iai s ILE 33 CO 0.09 0.25 0.32 -0.13 0.00 0.00 0.00 174.94 175.47 3iai s ARG 34 N 1.63 2.37 0.32 2.79 0.52 -1.26 -0.09 118.95 125.22 3iai s ARG 34 Ca 0.10 -1.87 0.08 0.00 -0.52 0.00 0.00 55.73 53.52 3iai s ARG 34 Cb -0.15 -3.82 0.92 0.00 0.52 0.00 0.00 34.95 32.41 3iai s ARG 34 CO 0.09 -1.16 1.60 -1.35 0.02 0.00 0.00 175.30 174.50 3iai h PRO 35 N 8.19 0.09 0.00 3.54 0.11 -1.96 0.12 132.00 142.08 3iai h PRO 35 Ca -0.16 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.90 3iai h PRO 35 Cb 1.05 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3iai h PRO 35 CO 0.80 0.06 -0.20 1.96 -0.21 0.00 0.00 178.00 180.41 3iai h GLN 36 N 0.09 0.00 -0.16 1.05 1.08 -2.01 -2.40 115.11 112.76 3iai h GLN 36 Ca 0.66 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.86 3iai h GLN 36 Cb 1.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.91 3iai h GLN 36 CO -0.78 0.20 0.00 1.28 -0.95 0.00 0.00 178.83 178.57 3iai n LEU 37 N -4.21 2.32 -4.76 1.46 4.77 0.40 -4.91 117.00 112.07 3iai n LEU 37 Ca -0.02 -0.90 -0.39 0.00 -0.03 0.00 0.00 56.01 54.66 3iai n LEU 37 Cb 0.26 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 3iai n LEU 37 CO 0.36 0.45 0.69 0.00 -1.33 0.00 0.00 177.39 177.56 3iai s ALA 38 N -1.81 3.33 -0.27 -1.18 0.00 -0.90 -4.68 121.76 116.25 3iai s ALA 38 Ca 0.34 0.68 -0.21 0.00 0.00 0.00 0.00 51.96 52.77 3iai s ALA 38 Cb 0.20 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 3iai s ALA 38 CO 0.30 0.10 0.64 0.00 0.00 0.00 0.00 175.76 176.80 3iai s ALA 39 N -1.26 3.59 0.03 0.00 0.00 0.15 -4.78 121.76 119.49 3iai s ALA 39 Ca 0.44 -0.48 -0.30 0.00 0.00 0.00 0.00 51.96 51.62 3iai s ALA 39 Cb -0.26 -3.07 -0.08 0.00 0.00 0.00 0.00 23.12 19.71 3iai s ALA 39 CO 0.33 -0.90 1.72 0.12 0.00 0.00 0.00 175.76 177.03 3iai s PHE 40 N 2.57 2.07 -0.42 0.00 5.99 -1.26 -0.52 117.98 126.41 3iai s PHE 40 Ca 0.27 0.12 0.03 0.00 0.00 0.00 0.00 56.93 57.34 3iai s PHE 40 Cb -0.15 -4.02 0.12 0.00 0.00 0.00 0.00 43.02 38.97 3iai s PHE 40 CO 0.09 -4.25 0.18 -1.12 -0.00 0.00 0.00 175.22 170.13 3iai s SER 41 N 3.07 4.19 0.66 6.13 0.01 0.14 -4.88 113.70 123.02 3iai s SER 41 Ca 0.77 -2.49 0.26 0.00 1.31 0.00 0.00 55.95 55.81 3iai s SER 41 Cb -0.39 -1.34 1.43 0.00 0.21 0.00 0.00 66.02 65.92 3iai s SER 41 CO 0.33 -0.31 1.80 -0.65 0.41 0.00 0.00 173.24 174.83 3iai h PRO 42 N 7.08 0.00 0.00 12.44 0.11 -1.90 -0.63 132.00 149.09 3iai h PRO 42 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3iai h PRO 42 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3iai h PRO 42 CO 0.56 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.35 3iai n ALA 43 N -1.85 2.03 -2.47 -0.75 0.00 -1.26 -4.64 120.51 111.57 3iai n ALA 43 Ca -0.01 -0.02 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 3iai n ALA 43 Cb 0.47 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 3iai n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3iai s LEU 44 N -3.89 3.43 0.59 0.00 1.43 -0.25 -5.01 118.68 114.98 3iai s LEU 44 Ca 0.09 0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.41 3iai s LEU 44 Cb 0.13 -3.12 0.04 0.00 0.03 0.00 0.00 46.19 43.26 3iai s LEU 44 CO 0.47 -1.60 0.84 0.00 0.23 0.00 0.00 176.35 176.29 3iai s ARG 45 N 5.24 2.51 0.35 1.70 1.70 -1.26 -4.85 118.95 124.34 3iai s ARG 45 Ca 0.49 -0.56 -0.28 0.00 -0.47 0.00 0.00 55.73 54.90 3iai s ARG 45 Cb -0.09 -2.39 -0.12 0.00 -0.57 0.00 0.00 34.95 31.78 3iai s ARG 45 CO 0.25 -0.82 1.45 -2.30 -1.08 0.00 0.00 175.30 172.80 3iai n PRO 46 N -2.50 2.52 -2.09 3.89 -0.02 -1.26 -4.92 135.00 130.63 3iai n PRO 46 Ca 0.07 0.89 -0.37 0.00 -2.02 0.00 0.00 63.50 62.06 3iai n PRO 46 Cb 0.60 -2.58 0.01 0.00 -0.02 0.00 0.00 33.50 31.50 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 -1.52 3.94 -0.16 2.45 1.43 -0.48 -4.90 118.68 119.45 3iai s LEU 47 Ca 0.56 2.47 0.02 0.00 -1.03 0.00 0.00 54.13 56.14 3iai s LEU 47 Cb -0.51 -4.27 0.01 0.00 0.03 0.00 0.00 46.19 41.46 3iai s LEU 47 CO 0.61 -1.17 -0.20 -1.61 0.23 0.00 0.00 176.35 174.21 3iai s GLU 48 N -2.80 3.03 -0.22 1.70 2.02 -1.10 -4.92 118.70 116.41 3iai s GLU 48 Ca 0.67 -0.83 -0.01 0.00 0.02 0.00 0.00 54.97 54.82 3iai s GLU 48 Cb -0.33 -2.52 0.06 0.00 0.10 0.00 0.00 34.13 31.44 3iai s GLU 48 CO 0.39 -0.10 -0.01 -0.51 0.02 0.00 0.00 175.26 175.04 3iai s LEU 49 N 1.04 2.04 0.15 1.80 1.02 -1.26 -1.15 118.68 122.33 3iai s LEU 49 Ca -0.01 -1.06 0.10 0.00 0.02 0.00 0.00 54.13 53.18 3iai s LEU 49 Cb -0.14 -0.94 -0.04 0.00 0.02 0.00 0.00 46.19 45.08 3iai s LEU 49 CO -0.07 -0.27 -0.22 -0.76 0.02 0.00 0.00 176.35 175.05 3iai s LEU 50 N 1.58 2.53 0.00 1.79 1.43 0.09 -4.66 118.68 121.43 3iai s LEU 50 Ca -0.03 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 3iai s LEU 50 Cb -0.18 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.70 3iai s LEU 50 CO -0.08 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.26 3iai n GLY 50 N 0.56 0.65 0.11 -3.19 0.00 -1.26 -1.09 105.19 100.96 3iai n GLY 50 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.00 3iai n GLY 50 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3iai h PHE 51 N 0.00 0.00 -1.66 1.61 -1.00 -1.84 -3.40 116.94 110.64 3iai h PHE 51 Ca 0.00 0.00 -0.69 0.00 2.81 0.00 0.00 57.97 60.09 3iai h PHE 51 Cb 0.00 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 39.42 3iai h PHE 51 CO 0.00 0.00 1.55 -0.65 -1.61 0.00 0.00 178.31 177.60 3iai s GLN 52 N -3.11 3.91 0.00 1.51 -0.21 -1.26 -1.33 119.66 119.17 3iai s GLN 52 Ca 0.10 -2.08 0.00 0.00 0.02 0.00 0.00 55.36 53.40 3iai s GLN 52 Cb 0.12 -5.23 0.00 0.00 1.00 0.00 0.00 33.01 28.90 3iai s GLN 52 CO 0.60 -1.98 0.00 1.28 -2.12 0.00 0.00 175.29 173.07 3iai n LEU 53 N 7.07 0.00 0.08 2.90 4.77 -1.13 -4.95 117.00 125.74 3iai n LEU 53 Ca 0.38 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 56.22 3iai n LEU 53 Cb 0.46 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.41 3iai n LEU 53 CO 0.65 -0.06 -0.13 -0.65 -1.33 0.00 0.00 177.39 175.88 3iai h PRO 54 N 0.00 0.21 -5.64 3.23 0.11 -1.96 -3.35 132.00 124.59 3iai h PRO 54 Ca 0.00 -0.35 -0.47 0.00 0.11 0.00 0.00 66.00 65.29 3iai h PRO 54 Cb 0.00 0.13 -0.22 0.00 0.11 0.00 0.00 31.00 31.02 3iai h PRO 54 CO 0.00 1.12 -0.80 -0.51 -0.21 0.00 0.00 178.00 177.60 3iai s LEU 54 N -6.97 2.27 0.84 2.35 1.43 -1.26 -1.13 118.68 116.20 3iai s LEU 54 Ca -0.05 -0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 52.32 3iai s LEU 54 Cb 0.07 -0.66 0.09 0.00 0.03 0.00 0.00 46.19 45.73 3iai s LEU 54 CO 0.86 -0.01 1.10 -2.16 0.23 0.00 0.00 176.35 176.37 3iai s PRO 55 N -1.71 1.73 0.81 1.29 0.04 -1.26 -4.97 135.00 130.93 3iai s PRO 55 Ca 0.01 0.62 -0.12 0.00 0.04 0.00 0.00 61.00 61.55 3iai s PRO 55 Cb -0.10 -1.88 0.08 0.00 0.04 0.00 0.00 34.50 32.64 3iai s PRO 55 CO 0.03 -1.86 1.12 -1.21 0.04 0.00 0.00 177.00 175.12 3iai s GLU 56 N -5.13 1.99 0.08 4.56 2.02 -1.26 -4.16 118.70 116.79 3iai s GLU 56 Ca 0.62 0.43 0.10 0.00 0.02 0.00 0.00 54.97 56.13 3iai s GLU 56 Cb -0.15 -1.92 -0.03 0.00 0.10 0.00 0.00 34.13 32.12 3iai s GLU 56 CO 0.55 -1.64 -0.26 -0.51 0.02 0.00 0.00 175.26 173.42 3iai s LEU 57 N -5.72 2.23 -0.00 1.80 1.02 0.27 -4.88 118.68 113.39 3iai s LEU 57 Ca 0.61 -0.64 -0.30 0.00 0.02 0.00 0.00 54.13 53.82 3iai s LEU 57 Cb -0.13 -1.20 -0.03 0.00 0.02 0.00 0.00 46.19 44.85 3iai s LEU 57 CO 0.53 0.21 0.97 -0.60 0.02 0.00 0.00 176.35 177.48 3iai s ARG 58 N -1.56 4.56 -0.16 1.70 3.52 -1.26 -0.27 118.95 125.47 3iai s ARG 58 Ca 0.12 1.41 0.01 0.00 -0.13 0.00 0.00 55.73 57.13 3iai s ARG 58 Cb -0.10 -3.46 0.01 0.00 -1.56 0.00 0.00 34.95 29.84 3iai s ARG 58 CO 0.04 -0.05 -0.18 -1.17 -0.81 0.00 0.00 175.30 173.12 3iai s LEU 59 N 1.02 2.26 0.03 -0.88 2.96 0.56 -1.34 118.68 123.28 3iai s LEU 59 Ca 0.52 -0.57 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 3iai s LEU 59 Cb -0.21 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 3iai s LEU 59 CO 0.28 0.05 -0.12 -0.60 -1.32 0.00 0.00 176.35 174.64 3iai s ARG 60 N 1.02 0.81 -0.52 1.98 3.52 0.03 -1.08 118.95 124.70 3iai s ARG 60 Ca -0.02 -0.64 -0.17 0.00 -0.13 0.00 0.00 55.73 54.78 3iai s ARG 60 Cb -0.15 -0.77 0.10 0.00 -1.56 0.00 0.00 34.95 32.58 3iai s ARG 60 CO -0.05 0.19 0.50 1.21 -0.81 0.00 0.00 175.30 176.34 3iai s ASN 61 N -0.96 6.18 -0.02 -2.12 3.84 -0.43 -0.34 114.94 121.09 3iai s ASN 61 Ca 0.00 -1.50 0.16 0.00 0.21 0.00 0.00 52.86 51.74 3iai s ASN 61 Cb -0.07 -2.22 0.50 0.00 -0.55 0.00 0.00 41.25 38.91 3iai s ASN 61 CO 0.01 -0.82 1.41 -0.46 -2.79 0.00 0.00 177.10 174.44 3iai n ASN 62 N 5.47 3.10 0.00 -4.21 0.23 -0.91 -0.52 115.26 118.42 3iai n ASN 62 Ca -0.12 -2.06 0.00 0.00 -0.53 0.00 0.00 54.58 51.86 3iai n ASN 62 Cb 0.42 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 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 1.29 3.03 0.00 4.83 0.00 -1.26 -4.75 105.19 108.33 3iai n GLY 63 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.47 0.00 -3.95 1.61 8.25 -1.26 -4.30 115.22 115.10 3iai n HIS 64 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 3iai n HIS 64 Cb 0.00 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.11 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 -1.57 -0.00 -0.22 0.41 0.15 -1.26 -4.85 113.70 106.36 3iai s SER 65 Ca 0.01 -0.16 -0.06 0.00 0.70 0.00 0.00 55.95 56.45 3iai s SER 65 Cb 0.04 0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.44 3iai s SER 65 CO 0.20 -0.24 0.02 0.54 1.20 0.00 0.00 173.24 174.96 3iai s VAL 66 N -2.05 4.02 -0.08 4.45 0.11 -1.26 -2.14 120.40 123.44 3iai s VAL 66 Ca 0.28 -0.28 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 3iai s VAL 66 Cb 0.00 -2.84 -0.01 0.00 -1.53 0.00 0.00 36.38 32.00 3iai s VAL 66 CO -0.02 0.40 -0.19 -1.58 -3.33 0.00 0.00 175.10 170.38 3iai s GLN 67 N 1.24 2.81 -0.23 1.54 0.74 0.53 -3.57 119.66 122.72 3iai s GLN 67 Ca 0.04 -0.80 -0.06 0.00 0.05 0.00 0.00 55.36 54.58 3iai s GLN 67 Cb -0.15 -2.35 -0.03 0.00 1.10 0.00 0.00 33.01 31.59 3iai s GLN 67 CO 0.02 0.37 0.04 -1.17 -0.55 0.00 0.00 175.29 174.00 3iai s LEU 68 N -0.11 3.35 -0.12 3.68 2.96 0.25 -0.79 118.68 127.90 3iai s LEU 68 Ca -0.04 -0.22 -0.29 0.00 -0.22 0.00 0.00 54.13 53.36 3iai s LEU 68 Cb -0.14 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 3iai s LEU 68 CO 0.04 -0.01 1.00 -0.89 -1.32 0.00 0.00 176.35 175.17 3iai s THR 69 N 1.44 4.78 0.01 3.68 2.01 -0.45 -1.88 115.64 125.23 3iai s THR 69 Ca 0.05 2.01 -0.06 0.00 0.31 0.00 0.00 61.69 64.00 3iai s THR 69 Cb -0.15 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.02 3iai s THR 69 CO 0.02 -0.01 0.27 -0.76 -0.69 0.00 0.00 174.62 173.45 3iai s LEU 70 N 2.14 4.37 0.82 4.42 1.43 -0.45 -4.32 118.68 127.09 3iai s LEU 70 Ca 0.47 0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 54.02 3iai s LEU 70 Cb -0.18 -2.68 0.12 0.00 0.03 0.00 0.00 46.19 43.48 3iai s LEU 70 CO 0.16 0.25 1.16 -2.16 0.23 0.00 0.00 176.35 175.99 3iai s PRO 71 N -1.78 1.54 0.71 1.29 0.04 -1.26 -4.76 135.00 130.78 3iai s PRO 71 Ca 0.28 -0.33 -0.13 0.00 0.04 0.00 0.00 61.00 60.86 3iai s PRO 71 Cb -0.13 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.41 3iai s PRO 71 CO 0.16 -1.75 1.10 -2.14 0.04 0.00 0.00 177.00 174.41 3iai s PRO 72 N -5.53 2.53 0.00 0.56 0.02 -1.26 -4.13 135.00 127.18 3iai s PRO 72 Ca 0.66 1.30 0.00 0.00 0.02 0.00 0.00 61.00 62.98 3iai s PRO 72 Cb -0.08 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.52 3iai s PRO 72 CO 0.48 -1.45 0.00 0.41 -0.33 0.00 0.00 177.00 176.11 3iai n GLY 76 N -0.80 1.38 3.46 0.52 0.00 -1.26 -5.03 105.19 103.45 3iai n GLY 76 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 4.59 -0.04 0.99 1.02 -1.26 -4.35 118.68 119.62 3iai s LEU 77 Ca 0.00 -1.40 -0.16 0.00 0.02 0.00 0.00 54.13 52.60 3iai s LEU 77 Cb 0.00 -2.42 -0.05 0.00 0.02 0.00 0.00 46.19 43.74 3iai s LEU 77 CO 0.00 -1.31 0.42 -1.61 0.02 0.00 0.00 176.35 173.87 3iai s GLU 78 N 3.61 4.06 0.01 1.70 2.02 -0.25 -1.19 118.70 128.66 3iai s GLU 78 Ca 0.27 0.39 0.02 0.00 0.02 0.00 0.00 54.97 55.67 3iai s GLU 78 Cb -0.12 -3.30 -0.01 0.00 0.10 0.00 0.00 34.13 30.81 3iai s GLU 78 CO 0.02 0.51 -0.06 1.41 0.02 0.00 0.00 175.26 177.16 3iai s MET 79 N -0.50 0.43 -0.04 1.61 1.75 -0.05 -0.73 119.30 121.77 3iai s MET 79 Ca 0.24 -0.41 0.03 0.00 -1.25 0.00 0.00 55.69 54.29 3iai s MET 79 Cb -0.16 -0.32 0.00 0.00 2.84 0.00 0.00 34.83 37.20 3iai s MET 79 CO 0.12 0.07 -0.12 0.00 -0.65 0.00 0.00 175.02 174.44 3iai s ALA 80 N -0.65 1.17 -0.52 4.11 0.00 -0.30 0.64 121.76 126.21 3iai s ALA 80 Ca -0.03 -0.45 0.23 0.00 0.00 0.00 0.00 51.96 51.70 3iai s ALA 80 Cb -0.05 -0.45 0.17 0.00 0.00 0.00 0.00 23.12 22.78 3iai s ALA 80 CO 0.00 0.17 1.16 1.28 0.00 0.00 0.00 175.76 178.37 3iai n LEU 81 N 3.42 0.70 -3.92 0.00 4.77 -0.66 -2.72 117.00 118.58 3iai n LEU 81 Ca -0.20 0.18 0.04 0.00 -0.03 0.00 0.00 56.01 56.00 3iai n LEU 81 Cb 0.53 -0.13 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 3iai n LEU 81 CO 0.25 -0.06 1.16 -0.83 -1.33 0.00 0.00 177.39 176.59 3iai s GLY 82 N -3.84 -0.25 0.01 -0.72 0.00 -1.25 -4.62 107.32 96.64 3iai s GLY 82 Ca 0.04 0.29 -0.34 0.00 0.00 0.00 0.00 44.72 44.70 3iai s GLY 82 CO 0.76 5.03 1.79 -1.05 0.00 0.00 0.00 173.10 179.63 3iai n PRO 84 N -0.85 2.23 -1.06 2.90 -0.02 -1.26 -1.58 135.00 135.36 3iai n PRO 84 Ca 0.02 0.81 -0.02 0.00 -2.02 0.00 0.00 63.50 62.30 3iai n PRO 84 Cb 0.59 -2.64 -0.01 0.00 -0.02 0.00 0.00 33.50 31.42 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 4.10 0.44 2.83 -1.23 0.00 -1.26 -4.93 105.19 105.13 3iai n GLY 85 Ca 0.21 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.44 2.21 -3.84 1.61 1.74 -0.62 -5.08 116.66 111.26 3iai n ARG 86 Ca -0.02 -4.54 -0.31 0.00 -0.77 0.00 0.00 57.85 52.22 3iai n ARG 86 Cb 0.25 -2.31 -0.04 0.00 -1.02 0.00 0.00 32.46 29.34 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 -1.73 3.50 0.20 5.56 2.02 -1.26 -1.66 118.70 125.32 3iai s GLU 87 Ca 0.29 -0.34 -0.01 0.00 0.02 0.00 0.00 54.97 54.93 3iai s GLU 87 Cb -0.00 -2.97 -0.04 0.00 0.10 0.00 0.00 34.13 31.22 3iai s GLU 87 CO -0.12 0.55 0.13 0.71 0.02 0.00 0.00 175.26 176.55 3iai s TYR 88 N -1.58 1.16 -0.01 1.61 1.51 0.21 -2.15 117.35 118.09 3iai s TYR 88 Ca 0.37 -1.37 0.02 0.00 -1.01 0.00 0.00 57.07 55.08 3iai s TYR 88 Cb -0.13 -0.57 -0.00 0.00 -0.11 0.00 0.00 41.96 41.16 3iai s TYR 88 CO 0.27 -0.63 -0.08 -0.98 -1.11 0.00 0.00 175.55 173.02 3iai s ARG 89 N -4.15 0.72 0.33 -0.62 1.70 -0.69 -0.87 118.95 115.37 3iai s ARG 89 Ca 0.39 -0.26 -0.27 0.00 -0.47 0.00 0.00 55.73 55.11 3iai s ARG 89 Cb 0.07 -0.70 -0.09 0.00 -0.57 0.00 0.00 34.95 33.66 3iai s ARG 89 CO 0.12 0.13 1.10 0.00 -1.08 0.00 0.00 175.30 175.57 3iai s ALA 90 N 0.02 3.28 -0.14 7.88 0.00 -0.34 -0.95 121.76 131.51 3iai s ALA 90 Ca 0.00 0.86 -0.03 0.00 0.00 0.00 0.00 51.96 52.79 3iai s ALA 90 Cb -0.05 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 3iai s ALA 90 CO -0.00 -0.24 -0.15 1.28 0.00 0.00 0.00 175.76 176.64 3iai n LEU 91 N 0.65 2.05 -3.73 0.00 4.77 0.29 -4.77 117.00 116.26 3iai n LEU 91 Ca 0.01 0.05 -0.03 0.00 -0.03 0.00 0.00 56.01 56.01 3iai n LEU 91 Cb 0.46 -0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3iai n LEU 91 CO 0.51 0.53 0.75 0.00 -1.33 0.00 0.00 177.39 177.85 3iai s GLN 92 N -2.27 1.11 0.03 3.23 1.03 -1.21 -1.34 119.66 120.24 3iai s GLN 92 Ca -0.19 -0.61 -0.00 0.00 0.04 0.00 0.00 55.36 54.60 3iai s GLN 92 Cb 0.06 0.38 -0.03 0.00 0.03 0.00 0.00 33.01 33.46 3iai s GLN 92 CO 0.29 -0.51 -0.03 -0.48 -2.54 0.00 0.00 175.29 172.02 3iai s LEU 93 N -2.93 2.33 0.33 2.60 0.05 -0.79 -1.00 118.68 119.28 3iai s LEU 93 Ca 0.12 -0.67 -0.13 0.00 0.05 0.00 0.00 54.13 53.50 3iai s LEU 93 Cb -0.01 0.12 0.03 0.00 -2.05 0.00 0.00 46.19 44.28 3iai s LEU 93 CO 0.01 -0.40 0.65 -1.38 -0.55 0.00 0.00 176.35 174.68 3iai s HIS 94 N -2.28 0.34 0.22 3.48 -3.43 -0.64 -0.58 115.29 112.40 3iai s HIS 94 Ca -0.08 -0.82 0.04 0.00 -0.80 0.00 0.00 55.06 53.40 3iai s HIS 94 Cb -0.04 0.48 -0.05 0.00 -1.43 0.00 0.00 32.58 31.54 3iai s HIS 94 CO -0.04 -1.31 -0.02 -0.51 -2.00 0.00 0.00 174.74 170.87 3iai s LEU 95 N -3.08 2.25 -0.04 5.38 1.02 -1.23 -1.22 118.68 121.76 3iai s LEU 95 Ca 0.20 -1.19 0.02 0.00 0.02 0.00 0.00 54.13 53.18 3iai s LEU 95 Cb -0.03 -0.30 0.01 0.00 0.02 0.00 0.00 46.19 45.89 3iai s LEU 95 CO 0.12 -0.48 -0.09 -1.00 0.02 0.00 0.00 176.35 174.93 3iai s HIS 96 N -3.39 1.00 0.32 0.29 3.76 -0.37 -4.59 115.29 112.30 3iai s HIS 96 Ca 0.27 -0.29 -0.01 0.00 -0.15 0.00 0.00 55.06 54.88 3iai s HIS 96 Cb 0.05 -0.76 -0.01 0.00 1.11 0.00 0.00 32.58 32.97 3iai s HIS 96 CO 0.08 -0.16 0.39 1.67 -0.85 0.00 0.00 174.74 175.87 3iai s TRP 97 N 0.48 1.20 0.00 1.40 -2.14 -1.21 -1.15 118.94 117.52 3iai s TRP 97 Ca -0.08 -1.35 0.00 0.00 2.66 0.00 0.00 56.10 57.33 3iai s TRP 97 Cb -0.12 -0.27 0.00 0.00 -3.10 0.00 0.00 33.47 29.98 3iai s TRP 97 CO 0.01 -1.01 0.00 0.41 -2.66 0.00 0.00 176.95 173.70 3iai n GLY 98 N -0.53 0.81 2.45 3.67 0.00 -1.24 -2.25 105.19 108.09 3iai n GLY 98 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.37 -1.63 4.61 0.00 -0.30 -1.55 120.51 117.27 3iai n ALA 99 Ca 0.00 -0.76 -0.56 0.00 0.00 0.00 0.00 53.44 52.12 3iai n ALA 99 Cb 0.00 0.55 -0.07 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.47 0.19 -1.17 0.00 0.00 -1.26 -0.18 120.51 116.62 3iai n ALA 100 Ca -0.10 0.28 -0.06 0.00 0.00 0.00 0.00 53.44 53.56 3iai n ALA 100 Cb 0.38 -2.31 -0.02 0.00 0.00 0.00 0.00 19.45 17.50 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 4.89 0.69 2.79 0.00 0.00 -1.26 -4.98 105.19 107.31 3iai n GLY 101 Ca 0.31 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.09 0.80 0.75 1.61 0.52 0.75 -5.14 118.95 116.15 3iai s ARG 102 Ca 0.00 -0.10 -0.14 0.00 -0.52 0.00 0.00 55.73 54.98 3iai s ARG 102 Cb 0.00 -1.37 0.05 0.00 0.52 0.00 0.00 34.95 34.15 3iai s ARG 102 CO 0.00 -0.38 1.16 -1.25 0.02 0.00 0.00 175.30 174.85 3iai s PRO 103 N 1.89 2.10 0.00 3.54 0.04 -1.26 -1.15 135.00 140.16 3iai s PRO 103 Ca 0.03 1.58 0.09 0.00 0.04 0.00 0.00 61.00 62.74 3iai s PRO 103 Cb -0.14 -1.85 0.14 0.00 0.04 0.00 0.00 34.50 32.70 3iai s PRO 103 CO -0.06 -1.82 1.05 0.41 0.04 0.00 0.00 177.00 176.61 3iai n GLY 104 N -0.01 0.67 3.77 0.56 0.00 0.52 -4.39 105.19 106.32 3iai n GLY 104 Ca 0.12 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.31 4.62 -0.15 1.61 1.04 -0.12 -3.31 113.70 116.08 3iai s SER 105 Ca 0.11 1.80 -0.13 0.00 0.48 0.00 0.00 55.95 58.21 3iai s SER 105 Cb 0.13 -2.52 -0.10 0.00 0.10 0.00 0.00 66.02 63.63 3iai s SER 105 CO -0.06 -1.96 0.12 -0.33 0.98 0.00 0.00 173.24 171.99 3iai h GLU 106 N -1.05 0.00 -7.18 4.02 5.08 -1.88 -3.45 114.58 110.11 3iai h GLU 106 Ca -0.44 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.44 3iai h GLU 106 Cb 1.23 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.52 3iai h GLU 106 CO 0.52 0.41 0.38 -1.01 -1.00 0.00 0.00 179.01 178.31 3iai s HIS 107 N -2.10 3.17 0.21 4.33 3.76 -1.26 -4.63 115.29 118.76 3iai s HIS 107 Ca -0.15 1.50 0.06 0.00 -0.15 0.00 0.00 55.06 56.31 3iai s HIS 107 Cb 0.02 -2.93 -0.05 0.00 1.11 0.00 0.00 32.58 30.73 3iai s HIS 107 CO 0.34 -0.78 -0.09 0.95 -0.85 0.00 0.00 174.74 174.31 3iai s THR 108 N -2.47 1.40 -0.18 1.30 -4.23 -1.11 -4.58 115.64 105.77 3iai s THR 108 Ca 0.62 -2.11 -0.00 0.00 -1.18 0.00 0.00 61.69 59.01 3iai s THR 108 Cb -0.14 -2.12 0.04 0.00 1.34 0.00 0.00 72.50 71.62 3iai s THR 108 CO 0.33 -0.53 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.14 3iai s VAL 109 N -3.18 1.17 -1.45 2.29 1.01 -0.58 -0.26 120.40 119.40 3iai s VAL 109 Ca 0.23 -0.73 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 3iai s VAL 109 Cb 0.02 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 35.07 3iai s VAL 109 CO 0.06 0.09 0.91 1.21 0.00 0.00 0.00 175.10 177.37 3iai n GLU 110 N 4.84 -6.09 0.00 2.72 4.07 0.87 -0.90 120.64 126.15 3iai n GLU 110 Ca -0.12 0.76 0.00 0.00 -0.06 0.00 0.00 57.16 57.74 3iai n GLU 110 Cb 0.47 -5.69 0.00 0.00 -0.06 0.00 0.00 31.44 26.16 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 -1.72 2.53 3.67 8.31 0.00 -1.26 -5.01 105.19 111.71 3iai n GLY 111 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.67 3.43 -0.19 1.61 5.04 -0.07 -5.02 115.29 117.41 3iai s HIS 112 Ca 0.00 1.38 -0.12 0.00 -1.54 0.00 0.00 55.06 54.77 3iai s HIS 112 Cb 0.00 -3.10 -0.05 0.00 0.04 0.00 0.00 32.58 29.47 3iai s HIS 112 CO 0.00 -0.28 0.23 0.50 -2.34 0.00 0.00 174.74 172.85 3iai s ARG 113 N 2.28 4.20 0.47 2.88 6.06 -1.26 -1.52 118.95 132.06 3iai s ARG 113 Ca 0.42 -0.06 -0.04 0.00 -2.50 0.00 0.00 55.73 53.54 3iai s ARG 113 Cb -0.17 -3.45 -0.03 0.00 0.06 0.00 0.00 34.95 31.36 3iai s ARG 113 CO 0.13 0.20 0.76 -0.06 -2.50 0.00 0.00 175.30 173.83 3iai s PHE 114 N 0.62 3.52 0.19 5.12 0.40 -1.26 -4.83 117.98 121.74 3iai s PHE 114 Ca 0.12 0.72 -0.18 0.00 -0.60 0.00 0.00 56.93 57.00 3iai s PHE 114 Cb -0.13 -2.28 0.16 0.00 0.51 0.00 0.00 43.02 41.28 3iai s PHE 114 CO 0.02 -0.27 1.61 -1.35 0.70 0.00 0.00 175.22 175.93 3iai h PRO 115 N 0.27 -0.10 -3.96 0.24 0.11 -1.92 -0.13 132.00 126.50 3iai h PRO 115 Ca -0.47 0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.42 3iai h PRO 115 Cb 1.21 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.27 3iai h PRO 115 CO 0.61 -0.07 -0.14 0.00 -0.21 0.00 0.00 178.00 178.19 3iai s ALA 116 N -6.11 0.51 -0.15 -0.75 0.00 -1.08 -0.36 121.76 113.82 3iai s ALA 116 Ca -0.14 -1.37 -0.13 0.00 0.00 0.00 0.00 51.96 50.32 3iai s ALA 116 Cb 0.17 1.10 0.04 0.00 0.00 0.00 0.00 23.12 24.43 3iai s ALA 116 CO 0.71 -0.82 0.38 -2.00 0.00 0.00 0.00 175.76 174.04 3iai s GLU 117 N -3.09 0.44 -0.05 0.00 2.12 -0.30 -0.76 118.70 117.05 3iai s GLU 117 Ca 0.28 0.55 0.01 0.00 0.36 0.00 0.00 54.97 56.17 3iai s GLU 117 Cb -0.01 0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.54 3iai s GLU 117 CO 0.18 -0.06 -0.05 -1.50 -0.54 0.00 0.00 175.26 173.29 3iai s ILE 118 N 0.31 3.87 -0.11 -3.70 2.07 -0.34 -1.24 121.20 122.07 3iai s ILE 118 Ca -0.01 -0.49 0.02 0.00 -1.41 0.00 0.00 60.65 58.77 3iai s ILE 118 Cb -0.03 -2.62 0.01 0.00 0.13 0.00 0.00 42.46 39.94 3iai s ILE 118 CO -0.01 0.55 -0.18 -1.00 -1.91 0.00 0.00 174.94 172.39 3iai s HIS 119 N -0.88 2.19 -0.33 3.50 3.76 -0.35 -2.15 115.29 121.02 3iai s HIS 119 Ca 0.14 -1.00 -0.03 0.00 -0.15 0.00 0.00 55.06 54.02 3iai s HIS 119 Cb -0.11 -1.53 0.06 0.00 1.11 0.00 0.00 32.58 32.11 3iai s HIS 119 CO 0.03 -0.47 0.07 0.08 -0.85 0.00 0.00 174.74 173.60 3iai s VAL 120 N 0.78 3.20 -0.08 -0.90 1.01 -0.24 -1.61 120.40 122.55 3iai s VAL 120 Ca -0.10 -1.52 -0.25 0.00 0.00 0.00 0.00 61.98 60.11 3iai s VAL 120 Cb -0.16 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 3iai s VAL 120 CO 0.01 -0.27 0.77 -0.69 0.00 0.00 0.00 175.10 174.91 3iai s VAL 121 N 1.25 4.99 0.16 2.92 1.01 -0.17 -1.34 120.40 129.22 3iai s VAL 121 Ca -0.01 1.57 0.10 0.00 0.00 0.00 0.00 61.98 63.63 3iai s VAL 121 Cb -0.20 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 3iai s VAL 121 CO -0.01 0.19 -0.22 -1.00 0.00 0.00 0.00 175.10 174.06 3iai s HIS 122 N 1.11 2.07 -0.12 5.22 3.76 0.89 -0.55 115.29 127.66 3iai s HIS 122 Ca 0.40 -0.41 0.01 0.00 -0.15 0.00 0.00 55.06 54.91 3iai s HIS 122 Cb -0.18 -1.05 -0.01 0.00 1.11 0.00 0.00 32.58 32.45 3iai s HIS 122 CO 0.18 0.38 -0.16 -1.17 -0.85 0.00 0.00 174.74 173.13 3iai s LEU 123 N -2.49 2.54 0.37 0.89 2.96 -0.12 -1.75 118.68 121.08 3iai s LEU 123 Ca 0.16 -0.39 -0.28 0.00 -0.22 0.00 0.00 54.13 53.40 3iai s LEU 123 Cb -0.08 -1.56 -0.11 0.00 0.50 0.00 0.00 46.19 44.94 3iai s LEU 123 CO 0.08 0.16 1.46 -0.24 -1.32 0.00 0.00 176.35 176.49 3iai n SER 124 N 3.55 3.64 0.03 3.68 2.88 -0.25 -1.71 113.62 125.43 3iai n SER 124 Ca -0.18 1.22 0.05 0.00 -1.33 0.00 0.00 58.87 58.63 3iai n SER 124 Cb 0.53 -1.60 0.25 0.00 -0.75 0.00 0.00 64.21 62.64 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 0.51 1.32 0.94 2.46 -2.24 -0.91 -1.57 114.28 114.79 3iai n THR 125 Ca 0.02 0.37 0.14 0.00 -2.27 0.00 0.00 64.05 62.31 3iai n THR 125 Cb 0.38 -1.24 0.58 0.00 -2.10 0.00 0.00 70.33 67.95 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 -1.55 2.30 -3.38 6.98 0.00 -1.26 -4.72 120.51 118.88 3iai n ALA 127 Ca 0.02 -0.09 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 3iai n ALA 127 Cb 0.11 -1.46 -0.17 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 -3.01 2.63 0.17 0.00 0.40 -0.61 -5.02 117.98 112.54 3iai s PHE 128 Ca 0.13 -1.12 -0.05 0.00 -0.60 0.00 0.00 56.93 55.30 3iai s PHE 128 Cb 0.18 -1.77 0.06 0.00 0.51 0.00 0.00 43.02 42.00 3iai s PHE 128 CO 0.53 -0.47 1.47 0.00 0.70 0.00 0.00 175.22 177.44 3iai h ALA 129 N 6.96 0.63 -2.73 5.36 0.00 -1.84 -3.45 119.26 124.19 3iai h ALA 129 Ca -0.25 -0.53 -0.37 0.00 0.00 0.00 0.00 54.91 53.76 3iai h ALA 129 Cb 1.22 -0.07 -0.17 0.00 0.00 0.00 0.00 17.79 18.76 3iai h ALA 129 CO 0.51 0.70 -0.74 1.03 0.00 0.00 0.00 179.25 180.75 3iai s ARG 130 N -3.95 0.97 0.24 0.00 0.52 -1.26 -5.05 118.95 110.42 3iai s ARG 130 Ca -0.08 -1.25 -0.07 0.00 -0.52 0.00 0.00 55.73 53.82 3iai s ARG 130 Cb 0.11 -0.74 0.24 0.00 0.52 0.00 0.00 34.95 35.08 3iai s ARG 130 CO 0.85 0.13 1.91 0.28 0.02 0.00 0.00 175.30 178.49 3iai h VAL 131 N 3.41 1.25 0.00 3.52 2.07 -1.99 -2.23 116.25 122.28 3iai h VAL 131 Ca -0.38 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 3iai h VAL 131 Cb 1.19 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3iai h VAL 131 CO 0.53 0.25 -0.03 -2.24 0.02 0.00 0.00 177.57 176.11 3iai h ASP 132 N 1.31 0.00 0.92 0.57 3.04 -1.96 -0.63 116.42 119.66 3iai h ASP 132 Ca 0.35 0.00 -0.22 0.00 -3.24 0.00 0.00 57.03 53.92 3iai h ASP 132 Cb -0.11 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.15 3iai h ASP 132 CO -0.07 0.03 -1.12 -0.33 -2.04 0.00 0.00 179.24 175.71 3iai h GLU 133 N 0.00 0.00 0.00 4.15 5.08 -1.83 -3.33 114.58 118.65 3iai h GLU 133 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 3iai h GLU 133 Cb 0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3iai h GLU 133 CO 0.00 0.86 -0.83 0.00 -1.00 0.00 0.00 179.01 178.05 3iai h ALA 134 N 1.03 0.61 -2.07 3.43 0.00 -0.99 -3.44 119.26 117.83 3iai h ALA 134 Ca -0.07 -0.66 -0.62 0.00 0.00 0.00 0.00 54.91 53.57 3iai h ALA 134 Cb 1.80 -0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.63 3iai h ALA 134 CO 0.12 0.84 0.78 1.28 0.00 0.00 0.00 179.25 182.26 3iai n LEU 135 N -3.17 2.80 0.00 0.00 4.77 -0.50 -1.20 117.00 119.70 3iai n LEU 135 Ca -0.01 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.04 3iai n LEU 135 Cb 0.81 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 3iai n LEU 135 CO 0.42 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3iai n GLY 136 N 3.42 2.95 3.83 -0.72 0.00 -1.21 -5.01 105.19 108.45 3iai n GLY 136 Ca 0.19 0.00 -0.38 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 -0.00 4.06 0.00 1.61 3.00 -0.34 -4.66 118.95 122.62 3iai s ARG 137 Ca 0.00 0.57 -0.31 0.00 0.00 0.00 0.00 55.73 55.99 3iai s ARG 137 Cb 0.00 -3.16 -0.10 0.00 0.00 0.00 0.00 34.95 31.69 3iai s ARG 137 CO 0.00 0.62 1.96 -0.35 0.00 0.00 0.00 175.30 177.54 3iai n PRO 138 N 1.54 2.70 -0.94 3.54 -0.04 -1.26 -1.74 135.00 138.79 3iai n PRO 138 Ca -0.10 0.98 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 3iai n PRO 138 Cb 0.51 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 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 4.56 0.41 0.36 0.55 0.00 0.05 -4.88 105.19 106.24 3iai n GLY 139 Ca 0.21 0.00 -0.03 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 1.29 -4.44 -0.02 0.00 -1.48 -3.42 103.07 95.01 3iai h GLY 140 Ca 0.00 -0.59 -0.68 0.00 0.00 0.00 0.00 47.33 46.06 3iai h GLY 140 CO 0.00 0.57 -0.88 1.08 0.00 0.00 0.00 176.54 177.31 3iai s LEU 141 N -9.86 2.13 -0.04 3.11 1.43 -1.26 -1.09 118.68 113.10 3iai s LEU 141 Ca -0.12 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.45 3iai s LEU 141 Cb 0.17 -1.25 0.02 0.00 0.03 0.00 0.00 46.19 45.16 3iai s LEU 141 CO 0.82 0.26 -0.05 0.00 0.23 0.00 0.00 176.35 177.62 3iai s ALA 142 N -0.73 0.63 -0.07 4.21 0.00 -0.71 -1.75 121.76 123.34 3iai s ALA 142 Ca 0.11 -0.07 0.05 0.00 0.00 0.00 0.00 51.96 52.04 3iai s ALA 142 Cb -0.10 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 3iai s ALA 142 CO 0.01 0.02 -0.22 0.08 0.00 0.00 0.00 175.76 175.65 3iai s VAL 143 N 0.73 2.29 -0.19 0.00 1.01 -0.55 -0.08 120.40 123.61 3iai s VAL 143 Ca -0.10 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 60.81 3iai s VAL 143 Cb -0.13 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 3iai s VAL 143 CO 0.00 0.57 0.11 -0.76 0.00 0.00 0.00 175.10 175.02 3iai s LEU 144 N -0.15 4.13 -0.03 3.92 1.43 -0.45 -1.84 118.68 125.68 3iai s LEU 144 Ca -0.03 0.21 0.05 0.00 -1.03 0.00 0.00 54.13 53.32 3iai s LEU 144 Cb -0.14 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 3iai s LEU 144 CO 0.04 0.19 -0.17 0.00 0.23 0.00 0.00 176.35 176.64 3iai s ALA 145 N 0.30 1.45 0.01 4.21 0.00 0.16 -1.08 121.76 126.81 3iai s ALA 145 Ca 0.07 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.34 3iai s ALA 145 Cb -0.11 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 3iai s ALA 145 CO -0.01 0.31 -0.06 0.00 0.00 0.00 0.00 175.76 176.01 3iai s ALA 146 N -0.21 0.44 0.18 0.00 0.00 -0.91 -1.22 121.76 120.04 3iai s ALA 146 Ca 0.02 -0.38 -0.18 0.00 0.00 0.00 0.00 51.96 51.42 3iai s ALA 146 Cb -0.09 -0.05 -0.08 0.00 0.00 0.00 0.00 23.12 22.90 3iai s ALA 146 CO 0.00 0.06 0.66 -0.06 0.00 0.00 0.00 175.76 176.42 3iai s PHE 147 N -0.51 3.66 -0.25 0.00 0.40 -1.26 -1.20 117.98 118.83 3iai s PHE 147 Ca -0.02 1.28 -0.06 0.00 -0.60 0.00 0.00 56.93 57.54 3iai s PHE 147 Cb -0.04 -2.53 -0.01 0.00 0.51 0.00 0.00 43.02 40.94 3iai s PHE 147 CO -0.00 0.40 0.03 -0.51 0.70 0.00 0.00 175.22 175.84 3iai s LEU 148 N -1.84 3.32 0.32 -0.37 1.43 0.06 -1.64 118.68 119.96 3iai s LEU 148 Ca 0.40 -0.39 0.08 0.00 -1.03 0.00 0.00 54.13 53.18 3iai s LEU 148 Cb -0.17 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 3iai s LEU 148 CO 0.20 -0.06 0.22 -1.61 0.23 0.00 0.00 176.35 175.33 3iai s GLU 149 N 1.54 2.64 0.07 1.70 2.02 0.65 -2.64 118.70 124.67 3iai s GLU 149 Ca 0.05 -1.33 -0.25 0.00 0.02 0.00 0.00 54.97 53.46 3iai s GLU 149 Cb -0.15 -2.39 -0.06 0.00 0.10 0.00 0.00 34.13 31.63 3iai s GLU 149 CO 0.01 0.16 0.76 -2.00 0.02 0.00 0.00 175.26 174.21 3iai s GLU 150 N -3.91 4.50 0.24 1.61 -6.30 -1.26 -0.55 118.70 113.04 3iai s GLU 150 Ca 0.38 1.07 -0.03 0.00 -2.50 0.00 0.00 54.97 53.89 3iai s GLU 150 Cb -0.05 -3.34 -0.03 0.00 0.00 0.00 0.00 34.13 30.71 3iai s GLU 150 CO 0.25 0.35 0.27 0.20 0.02 0.00 0.00 175.26 176.35 3iai s GLY 151 N -0.29 1.31 0.34 -1.50 0.00 0.86 -4.82 107.32 103.22 3iai s GLY 151 Ca 0.38 -1.52 0.17 0.00 0.00 0.00 0.00 44.72 43.75 3iai s GLY 151 CO 0.23 -1.17 1.67 -0.56 0.00 0.00 0.00 173.10 173.27 3iai h PRO 151 N 2.42 0.00 -5.86 2.90 0.13 -1.97 -3.36 132.00 126.26 3iai h PRO 151 Ca -0.31 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.17 3iai h PRO 151 Cb 1.25 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 3iai h PRO 151 CO 0.45 0.44 -0.52 -1.21 -0.23 0.00 0.00 178.00 176.93 3iai s GLU 152 N -3.51 3.31 0.28 0.86 2.02 -1.26 -4.93 118.70 115.47 3iai s GLU 152 Ca 0.00 -0.36 -0.29 0.00 0.02 0.00 0.00 54.97 54.34 3iai s GLU 152 Cb 0.11 -3.02 -0.10 0.00 0.10 0.00 0.00 34.13 31.22 3iai s GLU 152 CO 0.71 0.68 1.15 -2.00 0.02 0.00 0.00 175.26 175.81 3iai s GLU 153 N -1.77 4.58 -0.28 1.61 2.12 -1.26 -3.42 118.70 120.28 3iai s GLU 153 Ca 0.24 1.89 -0.20 0.00 0.36 0.00 0.00 54.97 57.27 3iai s GLU 153 Cb -0.12 -3.17 -0.02 0.00 0.26 0.00 0.00 34.13 31.08 3iai s GLU 153 CO 0.16 0.12 0.59 1.21 -0.54 0.00 0.00 175.26 176.79 3iai s ASN 154 N -0.74 6.49 0.19 -1.70 3.84 -1.26 -4.93 114.94 116.83 3iai s ASN 154 Ca 0.46 0.51 -0.08 0.00 0.21 0.00 0.00 52.86 53.96 3iai s ASN 154 Cb -0.34 -2.32 0.09 0.00 -0.55 0.00 0.00 41.25 38.14 3iai s ASN 154 CO 0.43 -0.40 1.62 0.28 -2.79 0.00 0.00 177.10 176.24 3iai h SER 155 N 8.07 0.98 0.10 -4.21 0.02 -1.94 -2.20 113.55 114.38 3iai h SER 155 Ca -0.27 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 60.35 3iai h SER 155 Cb 1.13 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.40 3iai h SER 155 CO 0.77 1.10 -0.05 0.00 -1.14 0.00 0.00 176.83 177.51 3iai h ALA 156 N 0.99 -0.13 0.00 3.77 0.00 -1.93 -2.73 119.26 119.23 3iai h ALA 156 Ca 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3iai h ALA 156 Cb 0.66 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3iai h ALA 156 CO 0.05 -0.55 -0.11 1.88 0.00 0.00 0.00 179.25 180.51 3iai h TYR 157 N -0.17 0.00 -0.32 0.00 -1.99 -1.90 -2.86 116.97 109.73 3iai h TYR 157 Ca -0.01 0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.77 3iai h TYR 157 Cb 0.14 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.85 3iai h TYR 157 CO -0.06 0.11 0.22 1.49 -0.00 0.00 0.00 178.16 179.92 3iai h GLU 158 N 0.00 0.21 0.00 4.88 4.22 -1.06 0.92 114.58 123.75 3iai h GLU 158 Ca -0.00 -0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.38 3iai h GLU 158 Cb 0.52 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3iai h GLU 158 CO 0.01 0.14 -0.23 1.96 -2.18 0.00 0.00 179.01 178.71 3iai h GLN 159 N 0.21 0.00 0.01 1.92 4.20 -1.55 -1.39 115.11 118.52 3iai h GLN 159 Ca 0.14 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.51 3iai h GLN 159 Cb 0.28 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 3iai h GLN 159 CO -0.02 0.23 -1.86 1.28 -0.67 0.00 0.00 178.83 177.79 3iai n LEU 160 N -3.93 2.05 -0.16 1.46 4.77 -0.33 -4.30 117.00 116.56 3iai n LEU 160 Ca -0.02 0.33 0.03 0.00 -0.03 0.00 0.00 56.01 56.32 3iai n LEU 160 Cb 0.32 -0.93 0.31 0.00 -2.33 0.00 0.00 43.42 40.78 3iai n LEU 160 CO 0.35 0.49 1.22 -0.07 -1.33 0.00 0.00 177.39 178.04 3iai h LEU 161 N -0.81 0.74 0.00 2.23 3.38 -0.91 -1.61 115.31 118.33 3iai h LEU 161 Ca -0.49 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3iai h LEU 161 Cb 1.53 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.10 3iai h LEU 161 CO -0.24 0.52 0.00 -1.54 0.09 0.00 0.00 178.44 177.27 3iai n SER 162 N -4.45 0.00 -0.03 -0.43 3.41 -0.53 -2.84 113.62 108.75 3iai n SER 162 Ca 0.08 0.36 0.08 0.00 -0.26 0.00 0.00 58.87 59.13 3iai n SER 162 Cb 0.08 -0.44 -0.09 0.00 -0.26 0.00 0.00 64.21 63.50 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 -1.44 1.27 -0.31 4.33 5.12 -0.61 -4.59 116.66 120.43 3iai n ARG 163 Ca 0.06 -0.07 0.01 0.00 -1.93 0.00 0.00 57.85 55.92 3iai n ARG 163 Cb 0.20 -1.32 0.15 0.00 -1.16 0.00 0.00 32.46 30.33 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 0.17 0.82 -1.54 0.55 3.38 -1.43 -1.92 115.31 115.33 3iai h LEU 164 Ca 0.00 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3iai h LEU 164 Cb 0.43 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3iai h LEU 164 CO 0.00 0.51 0.39 -0.08 0.09 0.00 0.00 178.44 179.35 3iai h GLU 165 N 0.95 0.54 0.00 1.13 4.57 -1.81 0.23 114.58 120.20 3iai h GLU 165 Ca 0.38 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.51 3iai h GLU 165 Cb 0.21 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 3iai h GLU 165 CO -0.19 0.36 -0.10 0.93 -1.18 0.00 0.00 179.01 178.84 3iai h GLU 166 N 0.56 0.00 -0.17 1.92 5.08 -1.65 -2.74 114.58 117.58 3iai h GLU 166 Ca 0.25 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.47 3iai h GLU 166 Cb 0.28 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.39 3iai h GLU 166 CO -0.07 0.10 -0.64 0.44 -1.00 0.00 0.00 179.01 177.84 3iai n ILE 167 N -3.60 2.04 -0.28 3.13 -5.35 -0.04 -4.80 119.36 110.45 3iai n ILE 167 Ca -0.02 -3.24 0.06 0.00 -0.27 0.00 0.00 62.75 59.29 3iai n ILE 167 Cb 0.22 -0.27 0.28 0.00 -1.74 0.00 0.00 39.64 38.13 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 1.30 1.60 -2.65 -1.28 0.00 -0.93 -3.42 119.26 113.87 3iai h ALA 168 Ca 0.05 -0.01 -0.52 0.00 0.00 0.00 0.00 54.91 54.43 3iai h ALA 168 Cb 1.21 -0.22 0.03 0.00 0.00 0.00 0.00 17.79 18.80 3iai h ALA 168 CO 0.18 0.24 0.64 -2.00 0.00 0.00 0.00 179.25 178.30 3iai s GLU 169 N -5.83 4.40 0.20 0.00 2.12 -1.26 0.00 118.70 118.33 3iai s GLU 169 Ca -0.11 2.02 -0.32 0.00 0.36 0.00 0.00 54.97 56.91 3iai s GLU 169 Cb 0.20 -3.21 -0.13 0.00 0.26 0.00 0.00 34.13 31.25 3iai s GLU 169 CO 0.79 -0.25 1.55 -1.91 -0.54 0.00 0.00 175.26 174.90 3iai n GLU 170 N 2.82 2.26 -0.02 4.30 2.13 -1.24 -1.39 120.64 129.50 3iai n GLU 170 Ca 0.07 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.70 3iai n GLU 170 Cb 0.43 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.58 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 2.98 1.92 3.86 8.31 0.00 0.32 -4.99 105.19 117.59 3iai n GLY 171 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.30 6.42 0.18 1.61 1.04 -0.49 -4.81 113.70 114.36 3iai s SER 172 Ca 0.00 1.46 -0.06 0.00 0.48 0.00 0.00 55.95 57.83 3iai s SER 172 Cb 0.00 -2.48 -0.02 0.00 0.10 0.00 0.00 66.02 63.62 3iai s SER 172 CO 0.00 -0.72 0.24 -1.83 0.98 0.00 0.00 173.24 171.91 3iai s GLU 173 N -4.62 1.20 0.17 4.02 -1.05 -1.26 -1.32 118.70 115.85 3iai s GLU 173 Ca 0.56 -1.35 -0.20 0.00 -0.15 0.00 0.00 54.97 53.83 3iai s GLU 173 Cb -0.10 0.34 0.05 0.00 -0.44 0.00 0.00 34.13 33.98 3iai s GLU 173 CO 0.43 -0.43 0.56 -0.08 0.95 0.00 0.00 175.26 176.68 3iai s THR 174 N -4.04 0.02 -0.14 1.83 -1.32 -0.24 -4.92 115.64 106.83 3iai s THR 174 Ca 0.25 -0.37 -0.09 0.00 -1.21 0.00 0.00 61.69 60.27 3iai s THR 174 Cb 0.04 -1.25 -0.05 0.00 -1.51 0.00 0.00 72.50 69.74 3iai s THR 174 CO 0.05 -0.09 0.18 -1.10 -2.21 0.00 0.00 174.62 171.45 3iai s GLN 175 N -3.80 3.82 0.17 7.08 -1.52 -1.26 -0.33 119.66 123.82 3iai s GLN 175 Ca 0.04 -0.08 0.09 0.00 -1.95 0.00 0.00 55.36 53.45 3iai s GLN 175 Cb -0.01 -3.29 -0.04 0.00 -0.22 0.00 0.00 33.01 29.45 3iai s GLN 175 CO -0.09 0.56 -0.18 0.14 -0.25 0.00 0.00 175.29 175.46 3iai s VAL 176 N -0.42 1.87 0.75 1.09 -7.23 0.63 -4.90 120.40 112.19 3iai s VAL 176 Ca 0.14 -1.95 -0.15 0.00 -1.81 0.00 0.00 61.98 58.21 3iai s VAL 176 Cb -0.12 -1.88 0.05 0.00 0.56 0.00 0.00 36.38 34.98 3iai s VAL 176 CO 0.03 -0.32 1.24 -2.84 -0.31 0.00 0.00 175.10 172.90 3iai s PRO 177 N -2.84 1.98 0.69 4.82 0.02 -1.26 -0.56 135.00 137.84 3iai s PRO 177 Ca 0.17 1.87 -0.16 0.00 0.02 0.00 0.00 61.00 62.90 3iai s PRO 177 Cb -0.06 -1.80 0.02 0.00 0.02 0.00 0.00 34.50 32.68 3iai s PRO 177 CO 0.07 -1.98 1.20 0.20 -0.33 0.00 0.00 177.00 176.16 3iai s GLY 178 N -1.87 2.44 0.20 0.52 0.00 -0.29 -4.65 107.32 103.68 3iai s GLY 178 Ca 0.77 0.89 -0.07 0.00 0.00 0.00 0.00 44.72 46.32 3iai s GLY 178 CO 0.46 1.29 0.27 0.48 0.00 0.00 0.00 173.10 175.61 3iai s LEU 179 N -4.84 0.89 -0.71 0.66 2.34 -1.26 -4.49 118.68 111.27 3iai s LEU 179 Ca 0.75 -1.12 -0.25 0.00 0.06 0.00 0.00 54.13 53.57 3iai s LEU 179 Cb -0.29 0.99 0.05 0.00 -0.56 0.00 0.00 46.19 46.38 3iai s LEU 179 CO 0.42 -0.94 1.16 -0.62 -1.06 0.00 0.00 176.35 175.31 3iai s ASP 180 N -3.06 6.17 0.29 1.48 -1.08 -1.26 -2.83 116.67 116.37 3iai s ASP 180 Ca 0.28 -0.69 -0.02 0.00 -0.52 0.00 0.00 52.55 51.60 3iai s ASP 180 Cb 0.04 -2.50 0.43 0.00 -1.46 0.00 0.00 42.92 39.43 3iai s ASP 180 CO 0.08 -1.67 1.94 0.40 0.52 0.00 0.00 175.17 176.44 3iai h ILE 181 N 6.02 1.18 0.00 4.11 1.08 -1.58 -2.23 117.51 126.09 3iai h ILE 181 Ca -0.27 -0.39 -0.01 0.00 -0.39 0.00 0.00 64.86 63.80 3iai h ILE 181 Cb 1.06 -0.07 -0.00 0.00 -3.07 0.00 0.00 36.82 34.74 3iai h ILE 181 CO 1.24 0.21 -0.03 0.77 -0.69 0.00 0.00 178.15 179.65 3iai h SER 182 N 1.14 0.00 0.68 1.72 4.64 -1.90 -1.99 113.55 117.85 3iai h SER 182 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3iai h SER 182 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3iai h SER 182 CO -0.09 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 175.90 3iai n ALA 183 N -2.15 1.74 1.23 5.18 0.00 -0.84 -1.83 120.51 123.84 3iai n ALA 183 Ca -0.02 0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.57 3iai n ALA 183 Cb 0.18 -1.33 0.57 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.86 0.29 -4.90 0.00 4.77 -0.75 -4.82 117.00 109.73 3iai n LEU 184 Ca 0.03 0.17 -0.21 0.00 -0.03 0.00 0.00 56.01 55.97 3iai n LEU 184 Cb 0.22 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 3iai n LEU 184 CO 0.18 0.06 -0.10 -0.76 -1.33 0.00 0.00 177.39 175.44 3iai s LEU 185 N -2.72 4.08 1.17 2.23 1.43 -0.76 -4.96 118.68 119.14 3iai s LEU 185 Ca 0.22 -0.09 -0.14 0.00 -1.03 0.00 0.00 54.13 53.09 3iai s LEU 185 Cb 0.19 -2.62 0.25 0.00 0.03 0.00 0.00 46.19 44.04 3iai s LEU 185 CO 0.53 -0.06 0.74 -2.65 0.23 0.00 0.00 176.35 175.14 3iai n PRO 186 N -1.31 -2.30 -0.06 1.29 -0.02 -1.26 -4.98 135.00 126.35 3iai n PRO 186 Ca -0.08 -0.64 -0.14 0.00 -2.02 0.00 0.00 63.50 60.62 3iai n PRO 186 Cb 0.57 -2.04 -0.06 0.00 -0.02 0.00 0.00 33.50 31.95 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 -2.55 0.54 -3.55 2.55 0.87 -1.90 -3.43 113.55 106.07 3iai h SER 187 Ca -0.60 -0.51 -0.71 0.00 -1.23 0.00 0.00 61.79 58.74 3iai h SER 187 Cb 1.34 -0.15 -0.23 0.00 -0.44 0.00 0.00 62.40 62.92 3iai h SER 187 CO 0.46 0.94 -0.47 -0.62 -0.53 0.00 0.00 176.83 176.61 3iai s ASP 188 N -6.36 5.92 0.00 6.23 -1.08 -1.26 -4.94 116.67 115.18 3iai s ASP 188 Ca -0.13 -0.91 0.23 0.00 -0.52 0.00 0.00 52.55 51.22 3iai s ASP 188 Cb 0.06 -2.09 1.26 0.00 -1.46 0.00 0.00 42.92 40.69 3iai s ASP 188 CO 0.79 -0.40 1.82 0.49 0.52 0.00 0.00 175.17 178.39 3iai n PHE 189 N 5.08 0.03 0.92 -5.34 0.99 -1.26 -3.34 117.46 114.53 3iai n PHE 189 Ca -0.11 -0.01 0.10 0.00 -0.00 0.00 0.00 57.45 57.42 3iai n PHE 189 Cb 0.47 0.00 -0.04 0.00 -1.00 0.00 0.00 39.48 38.90 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 -0.65 1.55 -4.17 4.37 3.41 -1.26 -1.38 113.62 115.48 3iai n SER 189 Ca 0.17 -1.27 -0.37 0.00 -0.26 0.00 0.00 58.87 57.13 3iai n SER 189 Cb 0.12 0.67 -0.11 0.00 -0.26 0.00 0.00 64.21 64.63 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 -2.50 2.24 0.20 4.33 1.81 -1.21 -4.62 118.95 119.20 3iai s ARG 190 Ca 0.13 -1.65 -0.19 0.00 -1.72 0.00 0.00 55.73 52.30 3iai s ARG 190 Cb 0.16 -3.60 0.03 0.00 -0.45 0.00 0.00 34.95 31.09 3iai s ARG 190 CO 0.62 -0.99 0.57 1.52 -0.68 0.00 0.00 175.30 176.34 3iai s TYR 191 N 1.24 -0.20 0.10 -0.53 -0.85 -1.26 -1.10 117.35 114.75 3iai s TYR 191 Ca 0.05 -0.14 0.04 0.00 -0.52 0.00 0.00 57.07 56.50 3iai s TYR 191 Cb -0.23 0.48 -0.04 0.00 0.38 0.00 0.00 41.96 42.55 3iai s TYR 191 CO -0.02 -0.96 0.06 -0.06 -1.52 0.00 0.00 175.55 173.05 3iai s PHE 192 N -3.86 3.10 -0.11 -3.49 0.40 0.05 -1.00 117.98 113.08 3iai s PHE 192 Ca 0.08 0.02 -0.10 0.00 -0.60 0.00 0.00 56.93 56.33 3iai s PHE 192 Cb -0.02 -1.56 0.03 0.00 0.51 0.00 0.00 43.02 41.98 3iai s PHE 192 CO -0.03 0.51 0.28 -1.14 0.70 0.00 0.00 175.22 175.54 3iai s GLN 193 N -2.53 0.32 0.23 0.44 0.74 0.49 -0.57 119.66 118.79 3iai s GLN 193 Ca 0.28 0.40 -0.22 0.00 0.05 0.00 0.00 55.36 55.88 3iai s GLN 193 Cb -0.11 0.14 0.04 0.00 1.10 0.00 0.00 33.01 34.18 3iai s GLN 193 CO 0.21 -0.05 0.69 1.52 -0.55 0.00 0.00 175.29 177.11 3iai s TYR 194 N 0.22 -0.32 -0.16 1.67 -0.85 -0.77 -0.70 117.35 116.43 3iai s TYR 194 Ca -0.01 -0.04 -0.07 0.00 -0.52 0.00 0.00 57.07 56.44 3iai s TYR 194 Cb -0.02 0.65 -0.04 0.00 0.38 0.00 0.00 41.96 42.93 3iai s TYR 194 CO -0.00 -1.07 0.07 -2.00 -1.52 0.00 0.00 175.55 171.03 3iai s GLU 195 N -3.82 3.79 0.00 -3.49 2.12 -1.26 -0.66 118.70 115.37 3iai s GLU 195 Ca 0.07 -0.31 0.00 0.00 0.36 0.00 0.00 54.97 55.09 3iai s GLU 195 Cb -0.04 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.18 3iai s GLU 195 CO -0.01 0.40 0.00 0.41 -0.54 0.00 0.00 175.26 175.53 3iai n GLY 196 N 3.13 4.33 3.29 -1.50 0.00 0.18 -4.92 105.19 109.69 3iai n GLY 196 Ca -0.17 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.23 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 1.47 1.67 0.48 1.61 1.04 -1.25 -1.13 113.70 117.59 3iai s SER 197 Ca 0.00 -1.75 -0.21 0.00 0.48 0.00 0.00 55.95 54.46 3iai s SER 197 Cb 0.00 0.55 -0.08 0.00 0.10 0.00 0.00 66.02 66.59 3iai s SER 197 CO 0.00 -1.06 1.07 -0.76 0.98 0.00 0.00 173.24 173.47 3iai s LEU 198 N -3.37 3.90 0.00 2.42 1.43 -0.80 -4.35 118.68 117.91 3iai s LEU 198 Ca 0.41 2.04 0.21 0.00 -1.03 0.00 0.00 54.13 55.75 3iai s LEU 198 Cb 0.02 -4.46 0.78 0.00 0.03 0.00 0.00 46.19 42.57 3iai s LEU 198 CO 0.27 -0.82 1.56 0.35 0.23 0.00 0.00 176.35 177.95 3iai n THR 199 N -0.80 0.19 -4.09 5.49 -2.24 -1.26 -4.35 114.28 107.22 3iai n THR 199 Ca 0.09 -0.32 -0.10 0.00 -2.27 0.00 0.00 64.05 61.45 3iai n THR 199 Cb 0.51 0.32 -0.10 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.81 0.41 0.46 4.28 -4.23 -1.26 -4.73 115.64 108.75 3iai s THR 200 Ca 0.32 -1.56 -0.22 0.00 -1.18 0.00 0.00 61.69 59.05 3iai s THR 200 Cb 0.17 -1.18 -0.10 0.00 1.34 0.00 0.00 72.50 72.72 3iai s THR 200 CO 0.26 -0.76 0.80 -2.65 -0.54 0.00 0.00 174.62 171.73 3iai n PRO 201 N 0.57 0.94 0.00 3.99 -0.02 -1.26 -0.74 135.00 138.49 3iai n PRO 201 Ca -0.17 0.34 0.07 0.00 -2.02 0.00 0.00 63.50 61.72 3iai n PRO 201 Cb 0.59 -1.84 0.39 0.00 -0.02 0.00 0.00 33.50 32.62 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 0.14 0.64 -2.86 0.52 -0.04 -1.26 -4.98 135.00 127.16 3iai n PRO 202 Ca 0.11 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.38 3iai n PRO 202 Cb 0.41 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 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 -2.93 1.82 -2.18 0.00 0.00 -1.26 -4.27 120.51 111.69 3iai n ALA 204 Ca -0.11 0.37 -0.20 0.00 0.00 0.00 0.00 53.44 53.50 3iai n ALA 204 Cb 0.60 -2.35 0.15 0.00 0.00 0.00 0.00 19.45 17.85 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 1.38 -0.63 -0.70 0.00 6.02 -1.26 -1.91 117.38 120.29 3iai n GLN 205 Ca 0.07 -2.12 0.00 0.00 -0.01 0.00 0.00 57.00 54.94 3iai n GLN 205 Cb 0.36 -0.92 0.00 0.00 1.02 0.00 0.00 30.24 30.69 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 -2.33 0.66 3.72 1.08 0.00 -0.28 -3.30 105.19 104.73 3iai n GLY 206 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.05 5.01 -0.29 1.61 1.01 -0.28 -0.77 120.40 124.64 3iai s VAL 207 Ca 0.00 1.57 -0.20 0.00 0.00 0.00 0.00 61.98 63.35 3iai s VAL 207 Cb 0.00 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 3iai s VAL 207 CO 0.00 0.23 0.62 -0.63 0.00 0.00 0.00 175.10 175.32 3iai s ILE 208 N 0.85 4.96 -0.18 2.22 1.01 -0.72 0.47 121.20 129.81 3iai s ILE 208 Ca 0.40 0.94 -0.08 0.00 0.00 0.00 0.00 60.65 61.91 3iai s ILE 208 Cb -0.18 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 3iai s ILE 208 CO 0.20 -0.08 0.10 0.26 0.00 0.00 0.00 174.94 175.42 3iai s TRP 209 N 2.56 3.36 -0.21 3.97 0.52 0.16 -1.48 118.94 127.82 3iai s TRP 209 Ca 0.25 0.24 0.01 0.00 0.02 0.00 0.00 56.10 56.62 3iai s TRP 209 Cb -0.15 -2.08 0.05 0.00 -1.15 0.00 0.00 33.47 30.14 3iai s TRP 209 CO 0.11 0.30 -0.08 0.99 0.02 0.00 0.00 176.95 178.29 3iai s THR 210 N 0.11 1.56 -0.29 2.01 2.01 -0.77 -1.86 115.64 118.42 3iai s THR 210 Ca 0.07 -1.07 -0.06 0.00 0.31 0.00 0.00 61.69 60.94 3iai s THR 210 Cb -0.12 -1.72 0.01 0.00 0.01 0.00 0.00 72.50 70.69 3iai s THR 210 CO -0.00 0.06 0.07 -0.69 -0.69 0.00 0.00 174.62 173.36 3iai s VAL 211 N 1.41 3.87 0.38 3.82 1.01 0.27 -0.66 120.40 130.50 3iai s VAL 211 Ca -0.03 -0.71 -0.27 0.00 0.00 0.00 0.00 61.98 60.97 3iai s VAL 211 Cb -0.17 -2.99 -0.11 0.00 0.00 0.00 0.00 36.38 33.11 3iai s VAL 211 CO -0.07 0.10 1.41 0.49 0.00 0.00 0.00 175.10 177.03 3iai n PHE 212 N 4.85 2.70 0.11 5.22 3.01 -0.36 -0.77 117.46 132.22 3iai n PHE 212 Ca -0.15 0.48 -0.02 0.00 1.01 0.00 0.00 57.45 58.77 3iai n PHE 212 Cb 0.48 -2.48 -0.01 0.00 -0.01 0.00 0.00 39.48 37.46 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 2.69 0.00 -3.21 4.37 -0.00 -1.45 -3.45 115.58 114.53 3iai h ASN 213 Ca -0.49 0.00 -0.57 0.00 -0.00 0.00 0.00 56.30 55.23 3iai h ASN 213 Cb 1.26 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 39.54 3iai h ASN 213 CO 0.63 0.73 -0.23 -1.10 -0.00 0.00 0.00 177.43 177.46 3iai s GLN 214 N -2.93 3.74 0.45 6.67 -0.21 -1.26 -5.07 119.66 121.05 3iai s GLN 214 Ca 0.02 0.14 0.08 0.00 0.02 0.00 0.00 55.36 55.61 3iai s GLN 214 Cb 0.09 -2.87 0.01 0.00 1.00 0.00 0.00 33.01 31.24 3iai s GLN 214 CO 0.78 0.47 0.48 0.95 -2.12 0.00 0.00 175.29 175.85 3iai s THR 215 N -1.58 2.56 0.03 -0.19 -4.23 -1.26 -4.62 115.64 106.34 3iai s THR 215 Ca 0.39 -1.24 0.06 0.00 -1.18 0.00 0.00 61.69 59.72 3iai s THR 215 Cb -0.13 -2.79 -0.03 0.00 1.34 0.00 0.00 72.50 70.89 3iai s THR 215 CO 0.21 0.00 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.44 3iai s VAL 216 N -2.50 2.96 -0.13 2.29 1.01 -0.65 -4.76 120.40 118.61 3iai s VAL 216 Ca 0.50 -1.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 3iai s VAL 216 Cb -0.05 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3iai s VAL 216 CO 0.30 0.37 0.02 -0.04 0.00 0.00 0.00 175.10 175.75 3iai s MET 217 N -1.38 3.49 0.12 2.72 -1.94 -1.26 -0.25 119.30 120.80 3iai s MET 217 Ca 0.15 -0.39 0.07 0.00 -1.71 0.00 0.00 55.69 53.81 3iai s MET 217 Cb -0.11 -2.99 -0.04 0.00 2.01 0.00 0.00 34.83 33.71 3iai s MET 217 CO 0.05 0.47 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.85 3iai s LEU 218 N -0.23 2.36 0.77 -0.03 1.02 0.29 -4.39 118.68 118.48 3iai s LEU 218 Ca 0.06 -0.76 -0.11 0.00 0.02 0.00 0.00 54.13 53.35 3iai s LEU 218 Cb -0.12 -0.74 0.06 0.00 0.02 0.00 0.00 46.19 45.41 3iai s LEU 218 CO 0.02 -0.04 1.09 -0.94 0.02 0.00 0.00 176.35 176.50 3iai s SER 219 N -2.23 4.70 0.25 2.29 1.04 -1.22 -0.10 113.70 118.44 3iai s SER 219 Ca 0.08 1.36 -0.05 0.00 0.48 0.00 0.00 55.95 57.82 3iai s SER 219 Cb -0.08 -2.13 0.29 0.00 0.10 0.00 0.00 66.02 64.21 3iai s SER 219 CO 0.04 -1.84 1.92 0.00 0.98 0.00 0.00 173.24 174.34 3iai h ALA 220 N -1.00 1.30 -0.63 5.32 0.00 -1.93 -1.15 119.26 121.17 3iai h ALA 220 Ca -0.46 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 3iai h ALA 220 Cb 1.26 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3iai h ALA 220 CO 0.59 0.63 0.31 -0.22 0.00 0.00 0.00 179.25 180.56 3iai h LYS 221 N 1.33 0.91 -0.48 0.00 3.64 -1.94 -1.66 116.57 118.37 3iai h LYS 221 Ca 0.38 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 3iai h LYS 221 Cb -0.11 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.53 3iai h LYS 221 CO -0.09 0.72 0.14 1.96 -2.27 0.00 0.00 179.45 179.91 3iai h GLN 222 N 0.87 0.75 -0.00 1.90 4.20 -1.72 -1.04 115.11 120.07 3iai h GLN 222 Ca 0.22 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 3iai h GLN 222 Cb 0.11 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3iai h GLN 222 CO -0.03 0.72 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.57 3iai h LEU 223 N 0.65 0.01 -0.25 1.46 3.38 -1.02 -0.60 115.31 118.93 3iai h LEU 223 Ca 0.15 -0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.92 3iai h LEU 223 Cb 0.28 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3iai h LEU 223 CO -0.00 0.22 -0.69 -0.74 0.09 0.00 0.00 178.44 177.31 3iai h HIS 224 N 0.01 1.00 -0.68 1.13 2.76 -0.85 -2.42 115.15 116.09 3iai h HIS 224 Ca -0.00 -0.41 -0.06 0.00 -2.20 0.00 0.00 60.37 57.70 3iai h HIS 224 Cb 0.37 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.14 3iai h HIS 224 CO 0.00 1.23 0.21 1.15 -1.30 0.00 0.00 177.93 179.22 3iai h THR 225 N 0.55 1.26 -0.63 6.26 2.02 -0.40 -1.78 112.91 120.19 3iai h THR 225 Ca -0.03 -0.88 -0.07 0.00 0.77 0.00 0.00 66.41 66.20 3iai h THR 225 Cb 1.30 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 3iai h THR 225 CO 0.14 0.34 0.11 0.25 0.37 0.00 0.00 175.52 176.73 3iai h LEU 226 N 1.00 0.97 -2.70 2.58 5.85 -1.09 -3.18 115.31 118.74 3iai h LEU 226 Ca 0.22 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3iai h LEU 226 Cb 0.31 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3iai h LEU 226 CO -0.01 0.97 0.00 -1.54 -0.34 0.00 0.00 178.44 177.52 3iai n SER 227 N -4.22 3.94 -0.89 1.25 3.41 -0.92 -4.51 113.62 111.68 3iai n SER 227 Ca 0.04 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 3iai n SER 227 Cb 0.28 -0.48 -0.00 0.00 -0.26 0.00 0.00 64.21 63.74 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 1.66 0.20 -0.06 4.04 2.03 -0.68 -4.76 116.55 118.98 3iai n ASP 227 Ca 0.24 -1.85 -0.12 0.00 0.52 0.00 0.00 54.79 53.59 3iai n ASP 227 Cb 0.62 -0.14 -0.04 0.00 -0.72 0.00 0.00 41.12 40.84 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 0.16 0.61 -2.52 5.18 -1.04 -1.20 -4.99 114.28 110.48 3iai n THR 228 Ca -0.02 -0.16 -0.36 0.00 -2.04 0.00 0.00 64.05 61.47 3iai n THR 228 Cb 0.82 -1.59 -0.04 0.00 -1.82 0.00 0.00 70.33 67.70 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 -6.52 4.07 -0.15 -4.42 1.43 -1.26 -4.74 118.68 107.08 3iai s LEU 229 Ca -0.16 2.03 -0.09 0.00 -1.03 0.00 0.00 54.13 54.89 3iai s LEU 229 Cb 0.06 -4.27 -0.05 0.00 0.03 0.00 0.00 46.19 41.96 3iai s LEU 229 CO 0.20 -0.58 0.17 0.26 0.23 0.00 0.00 176.35 176.62 3iai s TRP 230 N -1.72 3.52 0.00 0.29 0.52 0.10 -0.55 118.94 121.10 3iai s TRP 230 Ca 0.60 0.49 0.00 0.00 0.02 0.00 0.00 56.10 57.21 3iai s TRP 230 Cb -0.21 -2.08 0.00 0.00 -1.15 0.00 0.00 33.47 30.02 3iai s TRP 230 CO 0.26 0.51 0.00 0.41 0.02 0.00 0.00 176.95 178.16 3iai n GLY 231 N 2.70 1.95 3.65 0.98 0.00 0.15 -3.64 105.19 110.98 3iai n GLY 231 Ca -0.17 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 3iai n GLY 231 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iai s PRO 232 N 3.65 4.20 0.00 1.61 0.04 -1.26 -4.43 135.00 138.81 3iai s PRO 232 Ca 0.00 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.28 3iai s PRO 232 Cb 0.00 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.87 3iai s PRO 232 CO 0.00 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.76 3iai n GLY 237 N 3.50 0.70 4.00 0.56 0.00 -1.26 -4.53 105.19 108.17 3iai n GLY 237 Ca 0.11 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.47 0.55 -3.77 1.61 8.00 -1.26 -4.90 116.55 116.31 3iai n ASP 238 Ca 0.00 -1.05 -0.13 0.00 0.71 0.00 0.00 54.79 54.32 3iai n ASP 238 Cb 0.18 -1.31 -0.13 0.00 -0.02 0.00 0.00 41.12 39.84 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 -4.01 -0.21 0.24 -2.24 0.15 -1.26 -5.06 113.70 101.31 3iai s SER 239 Ca 0.07 0.42 -0.31 0.00 0.70 0.00 0.00 55.95 56.83 3iai s SER 239 Cb -0.04 0.37 -0.13 0.00 -1.71 0.00 0.00 66.02 64.50 3iai s SER 239 CO 0.83 -0.11 1.39 0.54 1.20 0.00 0.00 173.24 177.09 3iai n ARG 240 N 3.58 2.00 -2.04 5.44 5.12 -1.26 -0.67 116.66 128.83 3iai n ARG 240 Ca -0.19 0.71 -0.42 0.00 -1.93 0.00 0.00 57.85 56.02 3iai n ARG 240 Cb 0.56 -2.36 -0.03 0.00 -1.16 0.00 0.00 32.46 29.47 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 0.07 3.48 0.17 0.55 0.20 0.28 -4.50 118.68 118.93 3iai s LEU 241 Ca 0.68 1.08 -0.02 0.00 0.69 0.00 0.00 54.13 56.56 3iai s LEU 241 Cb -0.65 -3.34 -0.04 0.00 -0.43 0.00 0.00 46.19 41.73 3iai s LEU 241 CO 0.50 -1.80 0.12 -1.10 -0.29 0.00 0.00 176.35 173.78 3iai s GLN 242 N 5.83 1.09 -1.59 1.98 -0.21 -1.26 -4.74 119.66 120.75 3iai s GLN 242 Ca 0.76 -1.50 -0.10 0.00 0.02 0.00 0.00 55.36 54.54 3iai s GLN 242 Cb -0.20 0.27 0.08 0.00 1.00 0.00 0.00 33.01 34.17 3iai s GLN 242 CO 0.31 -0.34 0.54 1.28 -2.12 0.00 0.00 175.29 174.96 3iai n LEU 243 N -0.19 -1.76 -3.52 2.90 4.77 -0.59 -4.82 117.00 113.79 3iai n LEU 243 Ca -0.02 -1.06 -0.40 0.00 -0.03 0.00 0.00 56.01 54.50 3iai n LEU 243 Cb 0.65 -2.05 -0.01 0.00 -2.33 0.00 0.00 43.42 39.68 3iai n LEU 243 CO 0.31 0.36 2.48 -0.46 -1.33 0.00 0.00 177.39 178.75 3iai n ASN 244 N -2.80 7.61 -4.04 -1.43 6.94 -0.95 -4.88 115.26 115.71 3iai n ASN 244 Ca -0.12 -3.05 -0.08 0.00 -0.02 0.00 0.00 54.58 51.31 3iai n ASN 244 Cb 0.59 -1.41 -0.10 0.00 -2.36 0.00 0.00 39.78 36.49 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 -0.39 0.41 0.02 -2.53 -0.12 -1.26 -4.36 117.98 109.75 3iai s PHE 245 Ca 0.54 -0.85 -0.03 0.00 -0.05 0.00 0.00 56.93 56.53 3iai s PHE 245 Cb 0.17 -0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.21 3iai s PHE 245 CO -0.07 -0.33 0.23 0.50 -0.05 0.00 0.00 175.22 175.50 3iai s ARG 246 N -3.08 3.49 0.63 1.99 3.52 -1.26 -4.98 118.95 119.25 3iai s ARG 246 Ca -0.01 -0.25 -0.18 0.00 -0.13 0.00 0.00 55.73 55.15 3iai s ARG 246 Cb 0.02 -3.06 -0.02 0.00 -1.56 0.00 0.00 34.95 30.33 3iai s ARG 246 CO -0.07 0.64 1.26 0.00 -0.81 0.00 0.00 175.30 176.32 3iai s ALA 247 N -1.38 2.45 0.52 6.12 0.00 -1.26 -4.75 121.76 123.45 3iai s ALA 247 Ca 0.30 1.14 -0.22 0.00 0.00 0.00 0.00 51.96 53.17 3iai s ALA 247 Cb -0.13 -3.51 -0.06 0.00 0.00 0.00 0.00 23.12 19.42 3iai s ALA 247 CO 0.20 -1.42 1.30 0.95 0.00 0.00 0.00 175.76 176.79 3iai s THR 248 N -1.47 2.39 0.05 0.00 -4.23 -1.26 -4.47 115.64 106.66 3iai s THR 248 Ca 0.81 0.30 0.04 0.00 -1.18 0.00 0.00 61.69 61.65 3iai s THR 248 Cb -0.35 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.30 3iai s THR 248 CO 0.37 -0.00 -0.03 -1.10 -0.54 0.00 0.00 174.62 173.32 3iai s GLN 249 N -2.84 2.54 0.40 3.99 -1.52 0.21 -4.96 119.66 117.49 3iai s GLN 249 Ca 0.69 -0.79 -0.26 0.00 -1.95 0.00 0.00 55.36 53.05 3iai s GLN 249 Cb -0.37 -2.53 -0.09 0.00 -0.22 0.00 0.00 33.01 29.81 3iai s GLN 249 CO 0.44 0.57 1.31 -1.25 -0.25 0.00 0.00 175.29 176.11 3iai s PRO 250 N -1.93 4.01 0.38 2.91 0.04 -1.26 -4.37 135.00 134.78 3iai s PRO 250 Ca 0.22 2.19 0.09 0.00 0.04 0.00 0.00 61.00 63.54 3iai s PRO 250 Cb -0.11 -2.80 0.75 0.00 0.04 0.00 0.00 34.50 32.38 3iai s PRO 250 CO 0.13 -0.47 1.90 -0.07 0.04 0.00 0.00 177.00 178.53 3iai h LEU 251 N 2.76 0.22 -1.43 -3.56 3.38 -1.91 -3.43 115.31 111.34 3iai h LEU 251 Ca -0.50 -0.05 -0.48 0.00 0.09 0.00 0.00 57.88 56.94 3iai h LEU 251 Cb 1.24 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.89 3iai h LEU 251 CO 0.63 0.40 -0.82 0.59 0.09 0.00 0.00 178.44 179.33 3iai n ASN 252 N -4.25 -2.54 0.00 -0.43 3.02 -1.26 -2.05 115.26 107.75 3iai n ASN 252 Ca -0.01 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 3iai n ASN 252 Cb 0.29 -3.52 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 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 -1.69 3.25 3.76 7.41 0.00 -1.26 -5.05 105.19 111.61 3iai n GLY 253 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.69 3.44 -0.21 1.61 0.52 -0.87 -5.00 118.95 117.75 3iai s ARG 254 Ca 0.00 2.14 -0.02 0.00 -0.52 0.00 0.00 55.73 57.33 3iai s ARG 254 Cb 0.00 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 33.08 3iai s ARG 254 CO 0.00 -0.92 -0.09 0.08 0.02 0.00 0.00 175.30 174.39 3iai s VAL 255 N -1.34 2.96 0.26 3.52 1.01 -1.26 -4.92 120.40 120.63 3iai s VAL 255 Ca 0.67 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 3iai s VAL 255 Cb -0.38 -2.33 -0.09 0.00 0.00 0.00 0.00 36.38 33.58 3iai s VAL 255 CO 0.46 0.45 1.12 -0.63 0.00 0.00 0.00 175.10 176.50 3iai s ILE 256 N 1.42 3.52 0.08 2.22 1.01 -1.26 -4.88 121.20 123.30 3iai s ILE 256 Ca 0.05 1.47 0.02 0.00 0.00 0.00 0.00 60.65 62.19 3iai s ILE 256 Cb -0.14 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 3iai s ILE 256 CO -0.06 0.32 0.16 -1.61 0.00 0.00 0.00 174.94 173.75 3iai s GLU 257 N -1.17 3.21 -0.03 2.79 2.02 0.12 -0.67 118.70 124.96 3iai s GLU 257 Ca 0.46 -0.56 0.05 0.00 0.02 0.00 0.00 54.97 54.94 3iai s GLU 257 Cb -0.32 -2.90 -0.01 0.00 0.10 0.00 0.00 34.13 31.00 3iai s GLU 257 CO 0.40 0.58 -0.20 0.00 0.02 0.00 0.00 175.26 176.06 3iai s ALA 258 N -1.49 1.72 -2.13 5.21 0.00 0.33 -0.38 121.76 125.02 3iai s ALA 258 Ca 0.33 -0.84 0.23 0.00 0.00 0.00 0.00 51.96 51.68 3iai s ALA 258 Cb -0.12 -0.51 1.17 0.00 0.00 0.00 0.00 23.12 23.66 3iai s ALA 258 CO 0.26 0.36 1.78 -1.13 0.00 0.00 0.00 175.76 177.03 3iai n SER 259 N 2.86 0.60 -4.02 0.00 3.41 -0.17 -0.68 113.62 115.62 3iai n SER 259 Ca -0.17 -1.42 -0.10 0.00 -0.26 0.00 0.00 58.87 56.93 3iai n SER 259 Cb 0.53 -0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.34 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 -1.95 0.44 -2.00 7.33 -0.71 -1.26 -4.87 117.98 114.96 3iai s PHE 260 Ca 0.34 -0.59 0.01 0.00 -1.04 0.00 0.00 56.93 55.65 3iai s PHE 260 Cb 0.17 -0.29 0.03 0.00 -1.21 0.00 0.00 43.02 41.72 3iai s PHE 260 CO 0.27 -0.17 0.53 -2.30 -1.34 0.00 0.00 175.22 172.21