#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iai s HIS 4 N 0.00 3.26 0.86 7.33 2.46 -1.26 -4.69 115.29 123.26 3iai s HIS 4 Ca 0.00 1.49 -0.11 0.00 0.47 0.00 0.00 55.06 56.91 3iai s HIS 4 Cb 0.00 -3.53 0.12 0.00 -0.13 0.00 0.00 32.58 29.04 3iai s HIS 4 CO 0.00 -1.39 1.15 1.67 -2.47 0.00 0.00 174.74 173.70 3iai s TRP 5 N -0.99 1.81 0.31 3.88 1.48 -1.26 -4.56 118.94 119.61 3iai s TRP 5 Ca 0.48 1.73 -0.17 0.00 -1.06 0.00 0.00 56.10 57.09 3iai s TRP 5 Cb -0.37 -3.33 0.03 0.00 -1.16 0.00 0.00 33.47 28.64 3iai s TRP 5 CO 0.47 -2.65 0.69 -0.98 -4.06 0.00 0.00 176.95 170.42 3iai s ARG 6 N -4.55 1.91 0.01 3.25 1.70 -1.26 -5.01 118.95 115.00 3iai s ARG 6 Ca 0.67 -1.23 -0.16 0.00 -0.47 0.00 0.00 55.73 54.54 3iai s ARG 6 Cb -0.23 0.58 -0.06 0.00 -0.57 0.00 0.00 34.95 34.67 3iai s ARG 6 CO 0.56 -0.87 0.47 0.71 -1.08 0.00 0.00 175.30 175.08 3iai s TYR 7 N -3.34 3.73 -1.01 5.89 1.51 -1.26 -4.38 117.35 118.49 3iai s TYR 7 Ca 0.15 1.07 -0.04 0.00 -1.01 0.00 0.00 57.07 57.25 3iai s TYR 7 Cb -0.05 -2.38 0.00 0.00 -0.11 0.00 0.00 41.96 39.43 3iai s TYR 7 CO 0.10 0.58 0.49 0.41 -1.11 0.00 0.00 175.55 176.01 3iai n GLY 8 N 1.93 -0.10 0.00 0.71 0.00 -1.26 -4.99 105.19 101.48 3iai n GLY 8 Ca -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.32 0.91 3.67 -0.02 0.00 -1.26 -5.16 105.19 102.02 3iai n GLY 9 Ca -0.06 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 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 2.90 0.56 1.61 1.01 -1.26 -4.57 116.67 116.92 3iai s ASP 10 Ca 0.00 2.12 -0.18 0.00 0.71 0.00 0.00 52.55 55.21 3iai s ASP 10 Cb 0.00 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 3iai s ASP 10 CO 0.00 -3.11 1.07 -2.16 0.21 0.00 0.00 175.17 171.18 3iai s PRO 11 N -4.66 3.39 0.19 8.23 0.04 -1.26 -4.62 135.00 136.30 3iai s PRO 11 Ca 0.66 1.35 -0.32 0.00 0.04 0.00 0.00 61.00 62.74 3iai s PRO 11 Cb -0.22 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 32.17 3iai s PRO 11 CO 0.58 -0.77 1.73 -2.14 0.04 0.00 0.00 177.00 176.44 3iai s PRO 15 N -3.70 4.14 0.30 0.56 0.02 -1.26 -4.76 135.00 130.29 3iai s PRO 15 Ca 0.67 2.58 0.05 0.00 0.02 0.00 0.00 61.00 64.32 3iai s PRO 15 Cb -0.18 -3.19 0.69 0.00 0.02 0.00 0.00 34.50 31.84 3iai s PRO 15 CO 0.31 -0.76 1.79 -1.49 -0.33 0.00 0.00 177.00 176.52 3iai h TRP 16 N 7.17 1.09 0.00 6.54 4.06 -1.93 0.13 115.95 133.01 3iai h TRP 16 Ca -0.44 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.55 3iai h TRP 16 Cb 1.20 -0.33 -0.00 0.00 -1.00 0.00 0.00 29.16 29.03 3iai h TRP 16 CO 0.67 0.29 -0.01 -1.35 -3.56 0.00 0.00 178.44 174.48 3iai h PRO 17 N 0.82 0.00 0.02 0.49 0.11 -1.87 0.27 132.00 131.83 3iai h PRO 17 Ca 0.56 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.47 3iai h PRO 17 Cb 0.79 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 3iai h PRO 17 CO -0.35 0.01 -0.93 0.00 -0.21 0.00 0.00 178.00 176.52 3iai h ARG 18 N 0.00 0.14 -0.05 1.05 2.47 -1.11 -3.06 114.38 113.82 3iai h ARG 18 Ca -0.00 -0.17 -0.25 0.00 -1.26 0.00 0.00 59.98 58.30 3iai h ARG 18 Cb 0.03 0.05 0.02 0.00 -1.65 0.00 0.00 29.97 28.42 3iai h ARG 18 CO 0.00 0.97 -0.94 0.28 0.56 0.00 0.00 179.97 180.84 3iai h VAL 19 N 0.07 1.28 -2.24 2.04 2.07 -0.57 -3.45 116.25 115.45 3iai h VAL 19 Ca -0.04 -2.14 -0.02 0.00 0.82 0.00 0.00 66.70 65.31 3iai h VAL 19 Cb 1.59 2.26 -0.24 0.00 -1.52 0.00 0.00 31.29 33.37 3iai h VAL 19 CO 0.14 0.67 -0.27 -0.55 0.02 0.00 0.00 177.57 177.57 3iai s SER 20 N -7.21 -0.64 0.40 0.57 0.15 0.70 -5.00 113.70 102.68 3iai s SER 20 Ca -0.10 1.21 0.16 0.00 0.70 0.00 0.00 55.95 57.91 3iai s SER 20 Cb 0.07 1.76 1.02 0.00 -1.71 0.00 0.00 66.02 67.17 3iai s SER 20 CO 0.91 -0.23 1.86 -0.65 1.20 0.00 0.00 173.24 176.33 3iai h PRO 21 N 8.10 0.45 -0.21 5.44 0.11 -1.78 -0.82 132.00 143.29 3iai h PRO 21 Ca -0.17 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.97 3iai h PRO 21 Cb 1.11 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3iai h PRO 21 CO 0.12 0.30 0.24 0.00 -0.21 0.00 0.00 178.00 178.45 3iai h ALA 22 N 1.61 1.83 0.00 -0.75 0.00 -1.88 -0.56 119.26 119.51 3iai h ALA 22 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3iai h ALA 22 Cb 1.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3iai h ALA 22 CO -0.19 -0.34 0.00 0.00 0.00 0.00 0.00 179.25 178.72 3iai n ALA 24 N -1.18 2.34 -0.82 0.00 0.00 -0.22 -4.79 120.51 115.84 3iai n ALA 24 Ca 0.06 -1.77 -0.30 0.00 0.00 0.00 0.00 53.44 51.43 3iai n ALA 24 Cb 0.07 -0.36 0.18 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 -1.72 1.63 0.39 0.00 0.00 -0.21 -4.94 107.32 102.47 3iai s GLY 25 Ca 0.24 0.23 0.21 0.00 0.00 0.00 0.00 44.72 45.40 3iai s GLY 25 CO 0.06 0.74 1.63 -0.09 0.00 0.00 0.00 173.10 175.44 3iai h ARG 26 N -1.93 0.00 -2.54 2.90 2.43 -1.96 -3.38 114.38 109.88 3iai h ARG 26 Ca -0.49 0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.06 3iai h ARG 26 Cb 1.28 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 30.42 3iai h ARG 26 CO 0.48 0.24 -0.53 1.19 -1.51 0.00 0.00 179.97 179.84 3iai n PHE 27 N -3.21 3.52 -2.91 2.20 3.01 -1.26 -4.75 117.46 114.06 3iai n PHE 27 Ca 0.02 -4.17 -0.19 0.00 1.01 0.00 0.00 57.45 54.12 3iai n PHE 27 Cb 0.57 -0.62 0.04 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 -2.13 2.45 0.16 -1.08 -1.52 -1.26 -3.83 119.66 112.45 3iai s GLN 28 Ca 0.34 -1.30 0.06 0.00 -1.95 0.00 0.00 55.36 52.51 3iai s GLN 28 Cb 0.08 -2.63 -0.04 0.00 -0.22 0.00 0.00 33.01 30.20 3iai s GLN 28 CO -0.06 -0.70 -0.12 -1.12 -0.25 0.00 0.00 175.29 173.04 3iai s SER 29 N -4.52 2.05 0.94 5.90 0.01 -1.26 -4.55 113.70 112.27 3iai s SER 29 Ca 0.59 -0.96 -0.15 0.00 1.31 0.00 0.00 55.95 56.74 3iai s SER 29 Cb -0.08 -0.06 0.20 0.00 0.21 0.00 0.00 66.02 66.29 3iai s SER 29 CO 0.37 -0.24 1.30 -2.16 0.41 0.00 0.00 173.24 172.92 3iai s PRO 30 N -3.44 0.70 0.18 12.44 0.04 -1.26 -4.52 135.00 139.14 3iai s PRO 30 Ca 0.16 -0.50 -0.00 0.00 0.04 0.00 0.00 61.00 60.70 3iai s PRO 30 Cb -0.00 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 3iai s PRO 30 CO 0.03 -2.35 0.09 0.14 0.04 0.00 0.00 177.00 174.95 3iai s VAL 31 N -3.83 0.20 -0.18 -0.36 -7.23 -1.26 0.15 120.40 107.88 3iai s VAL 31 Ca 0.74 -1.97 -0.17 0.00 -1.81 0.00 0.00 61.98 58.76 3iai s VAL 31 Cb -0.04 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 3iai s VAL 31 CO 0.52 -0.20 0.46 -0.62 -0.31 0.00 0.00 175.10 174.95 3iai s ASP 32 N -3.15 6.53 -0.24 4.85 3.68 -1.26 -2.81 116.67 124.27 3iai s ASP 32 Ca 0.32 0.63 -0.15 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 -0.10 0.36 -0.63 0.13 0.00 0.00 175.17 175.01 3iai s ILE 33 N 1.29 5.21 -0.43 4.11 1.01 0.12 -4.91 121.20 127.60 3iai s ILE 33 Ca 0.22 0.58 -0.06 0.00 0.00 0.00 0.00 60.65 61.40 3iai s ILE 33 Cb -0.15 -3.69 0.11 0.00 0.01 0.00 0.00 42.46 38.74 3iai s ILE 33 CO 0.09 0.22 0.25 -0.13 0.00 0.00 0.00 174.94 175.37 3iai s ARG 34 N 1.64 2.23 0.29 2.79 0.52 -1.26 -0.25 118.95 124.91 3iai s ARG 34 Ca 0.16 -1.75 0.00 0.00 -0.52 0.00 0.00 55.73 53.62 3iai s ARG 34 Cb -0.15 -3.71 0.68 0.00 0.52 0.00 0.00 34.95 32.29 3iai s ARG 34 CO 0.08 -1.09 1.62 -1.35 0.02 0.00 0.00 175.30 174.58 3iai h PRO 35 N 8.22 0.12 0.00 3.54 0.11 -1.96 0.21 132.00 142.24 3iai h PRO 35 Ca -0.17 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.90 3iai h PRO 35 Cb 1.06 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3iai h PRO 35 CO 0.75 0.08 -0.14 1.96 -0.21 0.00 0.00 178.00 180.44 3iai h GLN 36 N 0.12 0.00 -0.02 1.05 1.08 -2.01 -2.27 115.11 113.06 3iai h GLN 36 Ca 0.54 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.74 3iai h GLN 36 Cb 1.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 3iai h GLN 36 CO -0.74 0.14 0.00 1.28 -0.95 0.00 0.00 178.83 178.56 3iai n LEU 37 N -4.23 2.03 -4.77 1.46 4.77 0.03 -4.91 117.00 111.38 3iai n LEU 37 Ca -0.02 -0.68 -0.39 0.00 -0.03 0.00 0.00 56.01 54.89 3iai n LEU 37 Cb 0.22 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 3iai n LEU 37 CO 0.35 0.34 0.71 0.00 -1.33 0.00 0.00 177.39 177.46 3iai s ALA 38 N -2.00 3.29 -0.25 -1.18 0.00 -0.86 -4.70 121.76 116.07 3iai s ALA 38 Ca 0.35 0.71 -0.21 0.00 0.00 0.00 0.00 51.96 52.80 3iai s ALA 38 Cb 0.21 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 20.06 3iai s ALA 38 CO 0.32 0.00 0.67 0.00 0.00 0.00 0.00 175.76 176.75 3iai s ALA 39 N -1.36 3.62 0.05 0.00 0.00 0.28 -4.78 121.76 119.57 3iai s ALA 39 Ca 0.47 -0.38 -0.31 0.00 0.00 0.00 0.00 51.96 51.75 3iai s ALA 39 Cb -0.26 -3.09 -0.08 0.00 0.00 0.00 0.00 23.12 19.70 3iai s ALA 39 CO 0.32 -0.84 1.65 0.12 0.00 0.00 0.00 175.76 177.01 3iai s PHE 40 N 2.58 2.37 -0.41 0.00 5.99 -1.26 -0.70 117.98 126.55 3iai s PHE 40 Ca 0.28 0.31 0.02 0.00 0.00 0.00 0.00 56.93 57.55 3iai s PHE 40 Cb -0.15 -3.95 0.12 0.00 0.00 0.00 0.00 43.02 39.03 3iai s PHE 40 CO 0.08 -3.83 0.17 -1.12 -0.00 0.00 0.00 175.22 170.52 3iai s SER 41 N 2.52 4.17 0.66 6.13 0.01 -0.04 -4.89 113.70 122.26 3iai s SER 41 Ca 0.74 -2.39 0.29 0.00 1.31 0.00 0.00 55.95 55.89 3iai s SER 41 Cb -0.39 -1.29 1.57 0.00 0.21 0.00 0.00 66.02 66.12 3iai s SER 41 CO 0.32 -0.32 1.89 -0.65 0.41 0.00 0.00 173.24 174.89 3iai h PRO 42 N 7.18 0.00 0.00 12.44 0.11 -1.90 -0.88 132.00 148.95 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 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3iai h PRO 42 CO 0.54 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.33 3iai n ALA 43 N -1.93 2.09 -2.51 -0.75 0.00 -1.26 -4.65 120.51 111.50 3iai n ALA 43 Ca -0.01 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 3iai n ALA 43 Cb 0.43 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 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 -3.49 3.34 0.60 0.00 1.43 -0.34 -5.00 118.68 115.22 3iai s LEU 44 Ca 0.11 -0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.17 3iai s LEU 44 Cb 0.14 -2.93 0.04 0.00 0.03 0.00 0.00 46.19 43.46 3iai s LEU 44 CO 0.47 -1.68 0.86 0.00 0.23 0.00 0.00 176.35 176.23 3iai s ARG 45 N 5.40 2.53 0.30 1.70 1.70 -1.26 -4.86 118.95 124.46 3iai s ARG 45 Ca 0.44 -0.46 -0.30 0.00 -0.47 0.00 0.00 55.73 54.94 3iai s ARG 45 Cb -0.09 -2.36 -0.12 0.00 -0.57 0.00 0.00 34.95 31.82 3iai s ARG 45 CO 0.22 -0.84 1.48 -2.30 -1.08 0.00 0.00 175.30 172.78 3iai n PRO 46 N -2.55 2.44 -1.98 3.89 -0.02 -1.26 -4.93 135.00 130.60 3iai n PRO 46 Ca 0.07 0.86 -0.37 0.00 -2.02 0.00 0.00 63.50 62.05 3iai n PRO 46 Cb 0.59 -2.58 0.03 0.00 -0.02 0.00 0.00 33.50 31.53 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 -0.70 3.75 -0.14 2.45 1.43 -0.57 -4.90 118.68 120.00 3iai s LEU 47 Ca 0.62 2.48 0.02 0.00 -1.03 0.00 0.00 54.13 56.22 3iai s LEU 47 Cb -0.54 -4.47 0.01 0.00 0.03 0.00 0.00 46.19 41.22 3iai s LEU 47 CO 0.54 -1.52 -0.19 -1.61 0.23 0.00 0.00 176.35 173.79 3iai s GLU 48 N -3.14 2.77 -0.23 1.70 2.02 -1.09 -4.91 118.70 115.82 3iai s GLU 48 Ca 0.74 -0.76 -0.00 0.00 0.02 0.00 0.00 54.97 54.98 3iai s GLU 48 Cb -0.33 -2.32 0.06 0.00 0.10 0.00 0.00 34.13 31.64 3iai s GLU 48 CO 0.37 -0.10 -0.02 -0.51 0.02 0.00 0.00 175.26 175.02 3iai s LEU 49 N 1.05 2.25 0.10 1.80 1.02 -1.26 -1.19 118.68 122.45 3iai s LEU 49 Ca -0.03 -1.12 0.09 0.00 0.02 0.00 0.00 54.13 53.10 3iai s LEU 49 Cb -0.14 -1.03 -0.04 0.00 0.02 0.00 0.00 46.19 45.00 3iai s LEU 49 CO -0.06 -0.26 -0.21 -0.76 0.02 0.00 0.00 176.35 175.08 3iai s LEU 50 N 1.51 2.52 0.00 1.79 1.43 0.21 -4.67 118.68 121.46 3iai s LEU 50 Ca -0.04 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 3iai s LEU 50 Cb -0.18 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.62 3iai s LEU 50 CO -0.07 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.32 3iai n GLY 50 N 1.06 0.61 0.06 -3.19 0.00 -1.26 -1.09 105.19 101.39 3iai n GLY 50 Ca -0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.76 0.57 -2.90 1.61 3.01 -1.26 -4.46 117.46 111.26 3iai n PHE 51 Ca 0.00 0.17 -0.44 0.00 1.01 0.00 0.00 57.45 58.19 3iai n PHE 51 Cb 0.00 -0.76 0.00 0.00 -0.01 0.00 0.00 39.48 38.71 3iai n PHE 51 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3iai n GLN 52 N -1.97 3.35 0.00 -1.08 6.02 -1.26 -1.27 117.38 121.17 3iai n GLN 52 Ca 0.06 -3.79 0.00 0.00 -0.01 0.00 0.00 57.00 53.26 3iai n GLN 52 Cb 0.40 -3.09 0.00 0.00 1.02 0.00 0.00 30.24 28.57 3iai n GLN 52 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3iai n LEU 53 N 5.91 0.00 0.10 1.08 4.77 -1.15 -4.94 117.00 122.76 3iai n LEU 53 Ca 0.38 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 56.19 3iai n LEU 53 Cb 0.43 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.38 3iai n LEU 53 CO 0.64 -0.09 -0.12 -0.65 -1.33 0.00 0.00 177.39 175.84 3iai h PRO 54 N 0.00 0.30 -5.53 3.23 0.11 -1.96 -3.34 132.00 124.81 3iai h PRO 54 Ca 0.00 -0.51 -0.47 0.00 0.11 0.00 0.00 66.00 65.13 3iai h PRO 54 Cb 0.00 0.19 -0.24 0.00 0.11 0.00 0.00 31.00 31.07 3iai h PRO 54 CO 0.00 1.23 -0.80 -0.51 -0.21 0.00 0.00 178.00 177.71 3iai s LEU 54 N -7.17 2.22 0.87 2.35 1.43 -1.26 -0.87 118.68 116.25 3iai s LEU 54 Ca -0.05 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.39 3iai s LEU 54 Cb 0.07 -0.66 0.12 0.00 0.03 0.00 0.00 46.19 45.74 3iai s LEU 54 CO 0.89 0.02 1.10 -2.16 0.23 0.00 0.00 176.35 176.42 3iai s PRO 55 N -1.41 1.44 0.76 1.29 0.04 -1.26 -4.97 135.00 130.89 3iai s PRO 55 Ca 0.02 0.68 -0.12 0.00 0.04 0.00 0.00 61.00 61.62 3iai s PRO 55 Cb -0.09 -1.84 0.05 0.00 0.04 0.00 0.00 34.50 32.66 3iai s PRO 55 CO 0.02 -2.08 1.14 -1.21 0.04 0.00 0.00 177.00 174.91 3iai s GLU 56 N -5.05 2.35 0.11 4.56 2.02 -1.26 -4.02 118.70 117.42 3iai s GLU 56 Ca 0.63 0.31 0.11 0.00 0.02 0.00 0.00 54.97 56.03 3iai s GLU 56 Cb -0.16 -1.98 -0.04 0.00 0.10 0.00 0.00 34.13 32.05 3iai s GLU 56 CO 0.56 -1.36 -0.27 -0.51 0.02 0.00 0.00 175.26 173.70 3iai s LEU 57 N -5.51 2.29 -0.01 1.80 1.02 0.38 -4.88 118.68 113.77 3iai s LEU 57 Ca 0.60 -0.72 -0.30 0.00 0.02 0.00 0.00 54.13 53.74 3iai s LEU 57 Cb -0.11 -1.24 -0.03 0.00 0.02 0.00 0.00 46.19 44.83 3iai s LEU 57 CO 0.51 0.20 0.97 -0.60 0.02 0.00 0.00 176.35 177.44 3iai s ARG 58 N -1.89 4.55 -0.15 1.70 3.52 -1.26 -0.63 118.95 124.78 3iai s ARG 58 Ca 0.14 1.39 0.01 0.00 -0.13 0.00 0.00 55.73 57.14 3iai s ARG 58 Cb -0.10 -3.46 0.02 0.00 -1.56 0.00 0.00 34.95 29.84 3iai s ARG 58 CO 0.05 -0.06 -0.18 -1.17 -0.81 0.00 0.00 175.30 173.14 3iai s LEU 59 N 1.05 1.92 0.01 -0.88 2.96 -0.19 -1.05 118.68 122.50 3iai s LEU 59 Ca 0.51 -0.56 0.04 0.00 -0.22 0.00 0.00 54.13 53.90 3iai s LEU 59 Cb -0.21 -1.32 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 3iai s LEU 59 CO 0.27 0.00 -0.12 -0.60 -1.32 0.00 0.00 176.35 174.59 3iai s ARG 60 N 1.21 0.87 -0.47 1.98 3.52 0.10 -1.26 118.95 124.90 3iai s ARG 60 Ca 0.01 -0.52 -0.17 0.00 -0.13 0.00 0.00 55.73 54.92 3iai s ARG 60 Cb -0.14 -0.84 0.05 0.00 -1.56 0.00 0.00 34.95 32.47 3iai s ARG 60 CO -0.08 0.22 0.47 1.21 -0.81 0.00 0.00 175.30 176.31 3iai s ASN 61 N -0.59 6.18 0.00 -2.12 3.84 -0.29 -0.07 114.94 121.89 3iai s ASN 61 Ca 0.03 -1.02 0.20 0.00 0.21 0.00 0.00 52.86 52.27 3iai s ASN 61 Cb -0.06 -2.22 0.55 0.00 -0.55 0.00 0.00 41.25 38.97 3iai s ASN 61 CO 0.00 -0.69 1.46 -0.46 -2.79 0.00 0.00 177.10 174.62 3iai n ASN 62 N 5.59 3.35 0.00 -4.21 0.23 -0.91 -0.27 115.26 119.03 3iai n ASN 62 Ca -0.09 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 51.97 3iai n ASN 62 Cb 0.45 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 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 1.50 3.14 0.00 4.83 0.00 -1.26 -4.76 105.19 108.64 3iai n GLY 63 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.72 0.00 -4.00 1.61 8.25 -1.26 -4.39 115.22 114.71 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 -0.01 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 -1.49 0.01 -0.18 0.41 0.15 -1.26 -4.85 113.70 106.49 3iai s SER 65 Ca 0.01 -0.25 -0.03 0.00 0.70 0.00 0.00 55.95 56.39 3iai s SER 65 Cb 0.02 0.17 -0.02 0.00 -1.71 0.00 0.00 66.02 64.49 3iai s SER 65 CO 0.14 -0.35 -0.07 0.54 1.20 0.00 0.00 173.24 174.70 3iai s VAL 66 N -2.02 3.42 -0.08 4.45 0.11 -1.26 -2.14 120.40 122.88 3iai s VAL 66 Ca 0.30 -0.51 0.05 0.00 -2.93 0.00 0.00 61.98 58.89 3iai s VAL 66 Cb -0.01 -2.51 -0.01 0.00 -1.53 0.00 0.00 36.38 32.33 3iai s VAL 66 CO 0.00 0.47 -0.24 -1.58 -3.33 0.00 0.00 175.10 170.43 3iai s GLN 67 N 0.83 2.80 -0.25 1.54 0.74 0.90 -3.63 119.66 122.60 3iai s GLN 67 Ca -0.02 -0.88 -0.08 0.00 0.05 0.00 0.00 55.36 54.43 3iai s GLN 67 Cb -0.15 -2.25 -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 3.66 -0.16 3.68 2.96 0.02 -0.72 118.68 128.17 3iai s LEU 68 Ca -0.10 -0.10 -0.28 0.00 -0.22 0.00 0.00 54.13 53.43 3iai s LEU 68 Cb -0.15 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 3iai s LEU 68 CO 0.06 -0.00 0.97 -0.89 -1.32 0.00 0.00 176.35 175.17 3iai s THR 69 N 1.43 4.78 0.00 3.68 2.01 -0.21 -2.04 115.64 125.28 3iai s THR 69 Ca 0.06 1.93 -0.09 0.00 0.31 0.00 0.00 61.69 63.90 3iai s THR 69 Cb -0.15 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.04 3iai s THR 69 CO 0.05 -0.05 0.31 -0.76 -0.69 0.00 0.00 174.62 173.48 3iai s LEU 70 N 2.42 4.39 0.81 4.42 1.43 -0.54 -4.30 118.68 127.31 3iai s LEU 70 Ca 0.44 0.68 -0.12 0.00 -1.03 0.00 0.00 54.13 54.10 3iai s LEU 70 Cb -0.17 -2.64 0.09 0.00 0.03 0.00 0.00 46.19 43.51 3iai s LEU 70 CO 0.13 0.27 1.18 -2.16 0.23 0.00 0.00 176.35 176.00 3iai s PRO 71 N -1.56 1.83 0.74 1.29 0.04 -1.26 -4.76 135.00 131.32 3iai s PRO 71 Ca 0.26 -0.01 -0.13 0.00 0.04 0.00 0.00 61.00 61.16 3iai s PRO 71 Cb -0.14 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.48 3iai s PRO 71 CO 0.14 -1.65 1.13 -2.14 0.04 0.00 0.00 177.00 174.52 3iai s PRO 72 N -5.57 2.29 0.00 0.56 0.02 -1.26 -4.08 135.00 126.96 3iai s PRO 72 Ca 0.63 1.41 0.00 0.00 0.02 0.00 0.00 61.00 63.06 3iai s PRO 72 Cb -0.10 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.53 3iai s PRO 72 CO 0.49 -1.65 0.00 0.41 -0.33 0.00 0.00 177.00 175.92 3iai n GLY 76 N -0.48 0.42 3.44 0.52 0.00 -1.26 -5.03 105.19 102.80 3iai n GLY 76 Ca 0.11 0.00 -0.44 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 5.00 -0.02 0.99 1.02 -1.26 -4.34 118.68 120.07 3iai s LEU 77 Ca 0.00 -1.80 -0.17 0.00 0.02 0.00 0.00 54.13 52.17 3iai s LEU 77 Cb 0.00 -2.39 -0.05 0.00 0.02 0.00 0.00 46.19 43.77 3iai s LEU 77 CO 0.00 -1.13 0.48 -1.61 0.02 0.00 0.00 176.35 174.11 3iai s GLU 78 N 2.88 4.15 0.02 1.70 2.02 -0.25 -0.78 118.70 128.45 3iai s GLU 78 Ca 0.28 0.52 0.02 0.00 0.02 0.00 0.00 54.97 55.81 3iai s GLU 78 Cb -0.09 -3.31 -0.01 0.00 0.10 0.00 0.00 34.13 30.82 3iai s GLU 78 CO -0.04 0.48 -0.07 1.41 0.02 0.00 0.00 175.26 177.06 3iai s MET 79 N -0.45 0.48 -0.04 1.61 1.75 0.10 -0.62 119.30 122.12 3iai s MET 79 Ca 0.26 -0.48 0.02 0.00 -1.25 0.00 0.00 55.69 54.25 3iai s MET 79 Cb -0.17 -0.35 0.01 0.00 2.84 0.00 0.00 34.83 37.16 3iai s MET 79 CO 0.14 0.08 -0.10 0.00 -0.65 0.00 0.00 175.02 174.49 3iai s ALA 80 N -0.76 1.01 -0.63 4.11 0.00 -0.33 0.46 121.76 125.63 3iai s ALA 80 Ca -0.04 -0.33 0.24 0.00 0.00 0.00 0.00 51.96 51.83 3iai s ALA 80 Cb -0.06 -0.44 0.29 0.00 0.00 0.00 0.00 23.12 22.91 3iai s ALA 80 CO 0.00 0.11 1.26 1.28 0.00 0.00 0.00 175.76 178.42 3iai n LEU 81 N 3.62 0.69 0.00 0.00 4.77 -0.78 -2.67 117.00 122.63 3iai n LEU 81 Ca -0.21 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3iai n LEU 81 Cb 0.52 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3iai n LEU 81 CO 0.25 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 3iai n GLY 82 N 1.34 -0.78 3.68 -0.72 0.00 -1.25 -4.63 105.19 102.82 3iai n GLY 82 Ca 0.03 -0.99 -0.46 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.04 2.40 -1.05 1.61 -0.02 -1.26 -1.70 135.00 134.94 3iai n PRO 84 Ca 0.00 0.88 -0.02 0.00 -2.02 0.00 0.00 63.50 62.34 3iai n PRO 84 Cb 0.00 -2.75 -0.01 0.00 -0.02 0.00 0.00 33.50 30.72 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 4.34 0.48 2.83 -1.23 0.00 -1.26 -4.95 105.19 105.39 3iai n GLY 85 Ca 0.21 -0.17 -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 -1.89 1.81 -3.90 1.61 1.74 -0.69 -5.09 116.66 110.26 3iai n ARG 86 Ca -0.02 -4.44 -0.29 0.00 -0.77 0.00 0.00 57.85 52.34 3iai n ARG 86 Cb 0.19 -2.25 -0.04 0.00 -1.02 0.00 0.00 32.46 29.35 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 -1.49 3.45 0.19 5.56 2.02 -1.26 -1.87 118.70 125.31 3iai s GLU 87 Ca 0.27 -0.48 -0.03 0.00 0.02 0.00 0.00 54.97 54.75 3iai s GLU 87 Cb -0.02 -2.99 -0.03 0.00 0.10 0.00 0.00 34.13 31.19 3iai s GLU 87 CO -0.16 0.55 0.17 0.71 0.02 0.00 0.00 175.26 176.55 3iai s TYR 88 N -1.64 0.96 -0.02 1.61 1.51 0.17 -2.07 117.35 117.88 3iai s TYR 88 Ca 0.35 -1.24 0.01 0.00 -1.01 0.00 0.00 57.07 55.19 3iai s TYR 88 Cb -0.12 -0.42 0.01 0.00 -0.11 0.00 0.00 41.96 41.31 3iai s TYR 88 CO 0.28 -0.67 -0.04 -0.98 -1.11 0.00 0.00 175.55 173.03 3iai s ARG 89 N -4.11 0.54 0.34 -0.62 3.03 -0.74 -0.73 118.95 116.66 3iai s ARG 89 Ca 0.33 -0.13 -0.28 0.00 2.03 0.00 0.00 55.73 57.68 3iai s ARG 89 Cb 0.06 -0.56 -0.10 0.00 -1.03 0.00 0.00 34.95 33.33 3iai s ARG 89 CO 0.09 0.03 1.27 0.00 -1.13 0.00 0.00 175.30 175.56 3iai s ALA 90 N 0.32 3.42 -0.15 7.88 0.00 0.04 -1.45 121.76 131.82 3iai s ALA 90 Ca -0.04 1.18 -0.02 0.00 0.00 0.00 0.00 51.96 53.09 3iai s ALA 90 Cb -0.07 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.51 3iai s ALA 90 CO -0.00 -0.60 -0.15 1.28 0.00 0.00 0.00 175.76 176.29 3iai n LEU 91 N 0.67 2.37 -3.71 0.00 4.77 0.30 -4.77 117.00 116.63 3iai n LEU 91 Ca 0.01 0.01 -0.02 0.00 -0.03 0.00 0.00 56.01 55.98 3iai n LEU 91 Cb 0.43 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 41.01 3iai n LEU 91 CO 0.57 0.61 0.83 0.00 -1.33 0.00 0.00 177.39 178.07 3iai s GLN 92 N -2.29 0.93 0.03 3.23 1.03 -1.21 -1.47 119.66 119.91 3iai s GLN 92 Ca -0.20 -0.51 -0.00 0.00 0.04 0.00 0.00 55.36 54.68 3iai s GLN 92 Cb 0.06 0.32 -0.03 0.00 0.03 0.00 0.00 33.01 33.39 3iai s GLN 92 CO 0.32 -0.42 -0.04 -0.48 -2.54 0.00 0.00 175.29 172.13 3iai s LEU 93 N -2.95 2.32 0.35 2.60 0.05 -0.87 -0.58 118.68 119.62 3iai s LEU 93 Ca 0.13 -0.67 -0.12 0.00 0.05 0.00 0.00 54.13 53.52 3iai s LEU 93 Cb 0.01 0.10 0.03 0.00 -2.05 0.00 0.00 46.19 44.28 3iai s LEU 93 CO 0.00 -0.39 0.66 -1.38 -0.55 0.00 0.00 176.35 174.70 3iai s HIS 94 N -2.25 0.41 0.20 3.48 -3.43 -0.51 -0.80 115.29 112.39 3iai s HIS 94 Ca -0.08 -0.91 0.02 0.00 -0.80 0.00 0.00 55.06 53.30 3iai s HIS 94 Cb -0.04 0.50 -0.05 0.00 -1.43 0.00 0.00 32.58 31.56 3iai s HIS 94 CO -0.04 -1.37 0.02 -0.51 -2.00 0.00 0.00 174.74 170.84 3iai s LEU 95 N -3.11 2.05 -0.03 5.38 1.02 -1.24 -1.04 118.68 121.72 3iai s LEU 95 Ca 0.20 -1.22 0.02 0.00 0.02 0.00 0.00 54.13 53.16 3iai s LEU 95 Cb -0.03 -0.10 0.01 0.00 0.02 0.00 0.00 46.19 46.08 3iai s LEU 95 CO 0.14 -0.58 -0.09 -1.00 0.02 0.00 0.00 176.35 174.83 3iai s HIS 96 N -3.61 1.01 0.34 0.29 3.76 -0.35 -4.60 115.29 112.14 3iai s HIS 96 Ca 0.27 -0.27 -0.00 0.00 -0.15 0.00 0.00 55.06 54.91 3iai s HIS 96 Cb 0.06 -0.73 -0.01 0.00 1.11 0.00 0.00 32.58 33.01 3iai s HIS 96 CO 0.07 -0.12 0.42 1.67 -0.85 0.00 0.00 174.74 175.93 3iai s TRP 97 N 0.28 1.22 0.00 1.40 -2.14 -1.21 -1.17 118.94 117.32 3iai s TRP 97 Ca -0.05 -1.38 0.00 0.00 2.66 0.00 0.00 56.10 57.33 3iai s TRP 97 Cb -0.10 -0.24 0.00 0.00 -3.10 0.00 0.00 33.47 30.04 3iai s TRP 97 CO 0.01 -1.07 0.00 0.41 -2.66 0.00 0.00 176.95 173.64 3iai n GLY 98 N -0.57 0.93 3.29 3.67 0.00 -1.25 -2.36 105.19 108.90 3iai n GLY 98 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.77 -1.67 4.61 0.00 -0.51 -1.36 120.51 116.81 3iai n ALA 99 Ca 0.00 -1.04 -0.50 0.00 0.00 0.00 0.00 53.44 51.90 3iai n ALA 99 Cb 0.00 0.77 -0.05 0.00 0.00 0.00 0.00 19.45 20.17 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 -0.94 0.64 -1.27 0.00 0.00 -1.26 -0.36 120.51 117.32 3iai n ALA 100 Ca -0.14 0.37 -0.09 0.00 0.00 0.00 0.00 53.44 53.57 3iai n ALA 100 Cb 0.51 -2.37 -0.04 0.00 0.00 0.00 0.00 19.45 17.55 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 3.92 1.04 2.67 0.00 0.00 -1.26 -4.99 105.19 106.57 3iai n GLY 101 Ca 0.21 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.57 -0.06 0.64 1.61 0.52 0.51 -5.14 118.95 114.46 3iai s ARG 102 Ca 0.00 0.33 -0.16 0.00 -0.52 0.00 0.00 55.73 55.38 3iai s ARG 102 Cb 0.00 -0.64 -0.01 0.00 0.52 0.00 0.00 34.95 34.82 3iai s ARG 102 CO 0.00 -0.36 1.15 -1.25 0.02 0.00 0.00 175.30 174.85 3iai s PRO 103 N 2.16 2.78 -0.00 3.54 0.04 -1.26 -1.42 135.00 140.84 3iai s PRO 103 Ca 0.05 1.57 0.12 0.00 0.04 0.00 0.00 61.00 62.78 3iai s PRO 103 Cb -0.12 -1.93 0.20 0.00 0.04 0.00 0.00 34.50 32.69 3iai s PRO 103 CO -0.04 -1.30 1.08 0.41 0.04 0.00 0.00 177.00 177.20 3iai n GLY 104 N -0.06 0.85 3.77 0.56 0.00 0.11 -4.43 105.19 106.00 3iai n GLY 104 Ca 0.12 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.51 4.69 -0.16 1.61 1.04 -0.25 -3.31 113.70 115.82 3iai s SER 105 Ca 0.16 1.82 -0.16 0.00 0.48 0.00 0.00 55.95 58.26 3iai s SER 105 Cb 0.18 -2.52 -0.13 0.00 0.10 0.00 0.00 66.02 63.66 3iai s SER 105 CO -0.08 -1.91 0.18 -0.33 0.98 0.00 0.00 173.24 172.09 3iai h GLU 106 N -0.92 0.00 -7.17 4.02 5.08 -1.89 -3.45 114.58 110.25 3iai h GLU 106 Ca -0.44 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.45 3iai h GLU 106 Cb 1.23 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.50 3iai h GLU 106 CO 0.52 0.55 0.37 -1.01 -1.00 0.00 0.00 179.01 178.44 3iai s HIS 107 N -2.15 3.34 0.17 4.33 3.76 -1.26 -4.61 115.29 118.87 3iai s HIS 107 Ca -0.18 1.50 0.06 0.00 -0.15 0.00 0.00 55.06 56.29 3iai s HIS 107 Cb 0.02 -2.84 -0.04 0.00 1.11 0.00 0.00 32.58 30.82 3iai s HIS 107 CO 0.40 -0.47 -0.13 0.95 -0.85 0.00 0.00 174.74 174.64 3iai s THR 108 N -2.52 1.48 -0.19 1.30 -4.23 -1.12 -4.57 115.64 105.79 3iai s THR 108 Ca 0.60 -2.07 0.01 0.00 -1.18 0.00 0.00 61.69 59.04 3iai s THR 108 Cb -0.11 -1.89 0.04 0.00 1.34 0.00 0.00 72.50 71.88 3iai s THR 108 CO 0.29 -0.61 -0.09 -0.69 -0.54 0.00 0.00 174.62 172.98 3iai s VAL 109 N -2.94 1.51 -1.46 2.29 1.01 -0.64 0.11 120.40 120.28 3iai s VAL 109 Ca 0.18 -0.90 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 3iai s VAL 109 Cb -0.00 -1.60 0.03 0.00 0.00 0.00 0.00 36.38 34.80 3iai s VAL 109 CO 0.04 0.18 0.90 1.21 0.00 0.00 0.00 175.10 177.42 3iai n GLU 110 N 4.73 -6.10 0.00 2.72 4.07 0.66 -1.13 120.64 125.59 3iai n GLU 110 Ca -0.14 0.78 0.00 0.00 -0.06 0.00 0.00 57.16 57.74 3iai n GLU 110 Cb 0.47 -5.72 0.00 0.00 -0.06 0.00 0.00 31.44 26.13 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 2.59 3.67 8.31 0.00 -1.26 -5.01 105.19 111.78 3iai n GLY 111 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.60 3.42 -0.14 1.61 5.04 -0.28 -5.02 115.29 117.31 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 -3.11 -0.05 0.00 0.04 0.00 0.00 32.58 29.46 3iai s HIS 112 CO 0.00 -0.30 0.25 0.50 -2.34 0.00 0.00 174.74 172.86 3iai s ARG 113 N 2.37 4.07 0.45 2.88 3.52 -1.26 -1.62 118.95 129.37 3iai s ARG 113 Ca 0.42 0.04 -0.03 0.00 -0.13 0.00 0.00 55.73 56.02 3iai s ARG 113 Cb -0.17 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 29.84 3iai s ARG 113 CO 0.12 0.39 0.72 -0.06 -0.81 0.00 0.00 175.30 175.66 3iai s PHE 114 N 0.03 3.47 0.19 5.12 0.40 -1.26 -4.85 117.98 121.08 3iai s PHE 114 Ca 0.15 0.60 -0.17 0.00 -0.60 0.00 0.00 56.93 56.91 3iai s PHE 114 Cb -0.13 -2.25 0.16 0.00 0.51 0.00 0.00 43.02 41.32 3iai s PHE 114 CO 0.04 -0.25 1.62 -1.35 0.70 0.00 0.00 175.22 175.98 3iai h PRO 115 N 0.34 -0.09 -3.88 0.24 0.11 -1.92 -0.49 132.00 126.31 3iai h PRO 115 Ca -0.47 0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.44 3iai h PRO 115 Cb 1.22 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.28 3iai h PRO 115 CO 0.61 -0.06 -0.11 0.00 -0.21 0.00 0.00 178.00 178.22 3iai s ALA 116 N -6.14 0.38 -0.11 -0.75 0.00 -1.10 0.05 121.76 114.10 3iai s ALA 116 Ca -0.14 -1.30 -0.10 0.00 0.00 0.00 0.00 51.96 50.42 3iai s ALA 116 Cb 0.17 1.07 0.03 0.00 0.00 0.00 0.00 23.12 24.39 3iai s ALA 116 CO 0.71 -0.83 0.29 -2.00 0.00 0.00 0.00 175.76 173.93 3iai s GLU 117 N -3.10 0.33 -0.07 0.00 2.12 -0.32 -0.53 118.70 117.12 3iai s GLU 117 Ca 0.27 0.42 0.00 0.00 0.36 0.00 0.00 54.97 56.02 3iai s GLU 117 Cb -0.01 0.14 -0.03 0.00 0.26 0.00 0.00 34.13 34.48 3iai s GLU 117 CO 0.17 -0.05 -0.05 -1.50 -0.54 0.00 0.00 175.26 173.29 3iai s ILE 118 N 0.28 3.88 -0.11 -3.70 2.07 -0.05 -1.21 121.20 122.35 3iai s ILE 118 Ca -0.01 -0.41 0.02 0.00 -1.41 0.00 0.00 60.65 58.84 3iai s ILE 118 Cb -0.03 -2.60 0.01 0.00 0.13 0.00 0.00 42.46 39.97 3iai s ILE 118 CO -0.01 0.60 -0.18 -1.00 -1.91 0.00 0.00 174.94 172.44 3iai s HIS 119 N -0.82 2.23 -0.34 3.50 3.76 -0.20 -1.97 115.29 121.45 3iai s HIS 119 Ca 0.13 -1.03 -0.04 0.00 -0.15 0.00 0.00 55.06 53.97 3iai s HIS 119 Cb -0.11 -1.55 0.06 0.00 1.11 0.00 0.00 32.58 32.08 3iai s HIS 119 CO 0.02 -0.49 0.08 0.08 -0.85 0.00 0.00 174.74 173.58 3iai s VAL 120 N 0.79 3.34 -0.05 -0.90 1.01 -0.38 -1.42 120.40 122.79 3iai s VAL 120 Ca -0.10 -1.42 -0.25 0.00 0.00 0.00 0.00 61.98 60.21 3iai s VAL 120 Cb -0.16 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 3iai s VAL 120 CO 0.01 -0.25 0.75 -0.69 0.00 0.00 0.00 175.10 174.92 3iai s VAL 121 N 1.29 4.99 0.16 2.92 1.01 0.26 -1.47 120.40 129.56 3iai s VAL 121 Ca -0.01 1.56 0.09 0.00 0.00 0.00 0.00 61.98 63.62 3iai s VAL 121 Cb -0.20 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 3iai s VAL 121 CO -0.00 0.25 -0.21 -1.00 0.00 0.00 0.00 175.10 174.13 3iai s HIS 122 N 0.76 1.99 -0.11 5.22 3.76 0.88 -0.54 115.29 127.25 3iai s HIS 122 Ca 0.40 -0.42 0.02 0.00 -0.15 0.00 0.00 55.06 54.91 3iai s HIS 122 Cb -0.18 -1.01 -0.01 0.00 1.11 0.00 0.00 32.58 32.48 3iai s HIS 122 CO 0.20 0.36 -0.18 -1.17 -0.85 0.00 0.00 174.74 173.10 3iai s LEU 123 N -2.49 2.45 0.32 0.89 2.96 -0.53 -1.71 118.68 120.57 3iai s LEU 123 Ca 0.15 -0.42 -0.29 0.00 -0.22 0.00 0.00 54.13 53.35 3iai s LEU 123 Cb -0.07 -1.52 -0.12 0.00 0.50 0.00 0.00 46.19 44.98 3iai s LEU 123 CO 0.07 0.18 1.53 -0.24 -1.32 0.00 0.00 176.35 176.57 3iai n SER 124 N 3.42 3.72 0.03 3.68 2.88 -0.23 -1.79 113.62 125.33 3iai n SER 124 Ca -0.18 1.18 0.05 0.00 -1.33 0.00 0.00 58.87 58.58 3iai n SER 124 Cb 0.53 -1.59 0.22 0.00 -0.75 0.00 0.00 64.21 62.61 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 1.39 1.46 1.21 2.46 -2.24 -0.88 -1.31 114.28 116.38 3iai n THR 125 Ca 0.06 0.43 0.14 0.00 -2.27 0.00 0.00 64.05 62.41 3iai n THR 125 Cb 0.37 -1.35 0.66 0.00 -2.10 0.00 0.00 70.33 67.91 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 -1.56 2.50 -3.16 6.98 0.00 -1.26 -4.74 120.51 119.27 3iai n ALA 127 Ca 0.01 -0.15 -0.32 0.00 0.00 0.00 0.00 53.44 52.98 3iai n ALA 127 Cb 0.08 -1.45 -0.17 0.00 0.00 0.00 0.00 19.45 17.91 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 -2.78 2.55 0.15 0.00 0.40 -0.43 -5.02 117.98 112.85 3iai s PHE 128 Ca 0.21 -1.00 -0.01 0.00 -0.60 0.00 0.00 56.93 55.53 3iai s PHE 128 Cb 0.20 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 3iai s PHE 128 CO 0.51 -0.39 1.35 0.00 0.70 0.00 0.00 175.22 177.39 3iai h ALA 129 N 6.63 0.46 -2.81 5.36 0.00 -1.85 -3.45 119.26 123.60 3iai h ALA 129 Ca -0.21 -0.70 -0.32 0.00 0.00 0.00 0.00 54.91 53.69 3iai h ALA 129 Cb 1.23 -0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.79 3iai h ALA 129 CO 0.47 0.84 -0.73 1.03 0.00 0.00 0.00 179.25 180.86 3iai s ARG 130 N -3.31 0.82 0.22 0.00 0.52 -1.26 -5.05 118.95 110.89 3iai s ARG 130 Ca -0.05 -1.11 -0.08 0.00 -0.52 0.00 0.00 55.73 53.97 3iai s ARG 130 Cb 0.10 -0.53 0.24 0.00 0.52 0.00 0.00 34.95 35.28 3iai s ARG 130 CO 0.85 0.08 1.86 0.28 0.02 0.00 0.00 175.30 178.40 3iai h VAL 131 N 3.68 1.11 0.00 3.52 2.07 -1.99 -1.66 116.25 122.98 3iai h VAL 131 Ca -0.37 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 3iai h VAL 131 Cb 1.19 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3iai h VAL 131 CO 0.51 0.18 -0.01 0.44 0.02 0.00 0.00 177.57 178.71 3iai h ASP 132 N 0.98 0.00 0.99 0.57 3.32 -1.96 -0.03 116.42 120.29 3iai h ASP 132 Ca 0.32 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.17 3iai h ASP 132 Cb 0.03 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 3iai h ASP 132 CO -0.12 0.01 -1.04 -0.33 -1.72 0.00 0.00 179.24 176.03 3iai h GLU 133 N 0.00 0.00 0.00 3.56 5.08 -1.73 -3.33 114.58 118.16 3iai h GLU 133 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 3iai h GLU 133 Cb 0.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3iai h GLU 133 CO 0.00 0.80 -1.18 0.00 -1.00 0.00 0.00 179.01 177.63 3iai h ALA 134 N 1.11 0.59 -1.92 3.43 0.00 -0.89 -3.44 119.26 118.15 3iai h ALA 134 Ca -0.06 -0.96 -0.65 0.00 0.00 0.00 0.00 54.91 53.25 3iai h ALA 134 Cb 1.73 0.12 0.04 0.00 0.00 0.00 0.00 17.79 19.68 3iai h ALA 134 CO 0.11 1.15 0.78 1.28 0.00 0.00 0.00 179.25 182.56 3iai n LEU 135 N -3.15 2.62 0.00 0.00 4.77 -0.55 -0.88 117.00 119.81 3iai n LEU 135 Ca -0.06 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.99 3iai n LEU 135 Cb 0.91 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 3iai n LEU 135 CO 0.44 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 3iai n GLY 136 N 3.50 2.68 3.78 -0.72 0.00 -1.20 -5.01 105.19 108.22 3iai n GLY 136 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.14 4.20 -0.02 1.61 3.00 -0.06 -4.65 118.95 122.88 3iai s ARG 137 Ca 0.00 0.61 -0.33 0.00 0.00 0.00 0.00 55.73 56.00 3iai s ARG 137 Cb 0.00 -3.30 -0.12 0.00 0.00 0.00 0.00 34.95 31.53 3iai s ARG 137 CO 0.00 0.48 1.85 -0.35 0.00 0.00 0.00 175.30 177.28 3iai n PRO 138 N 2.42 2.32 -0.91 3.54 -0.04 -1.26 -1.31 135.00 139.76 3iai n PRO 138 Ca -0.09 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.21 3iai n PRO 138 Cb 0.51 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 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 4.28 0.44 0.33 0.55 0.00 0.16 -4.88 105.19 106.07 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 1.23 -4.38 -0.02 0.00 -1.33 -3.42 103.07 95.16 3iai h GLY 140 Ca 0.00 -0.55 -0.70 0.00 0.00 0.00 0.00 47.33 46.09 3iai h GLY 140 CO 0.00 0.53 -0.87 1.08 0.00 0.00 0.00 176.54 177.28 3iai s LEU 141 N -9.95 2.21 -0.04 3.11 1.43 -1.26 -1.07 118.68 113.11 3iai s LEU 141 Ca -0.13 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 3iai s LEU 141 Cb 0.16 -1.33 0.02 0.00 0.03 0.00 0.00 46.19 45.07 3iai s LEU 141 CO 0.81 0.27 -0.04 0.00 0.23 0.00 0.00 176.35 177.62 3iai s ALA 142 N -0.79 0.58 -0.09 4.21 0.00 -0.70 -1.68 121.76 123.30 3iai s ALA 142 Ca 0.12 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.09 3iai s ALA 142 Cb -0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 3iai s ALA 142 CO 0.02 0.00 -0.22 0.08 0.00 0.00 0.00 175.76 175.64 3iai s VAL 143 N 0.79 2.25 -0.21 0.00 1.01 -0.57 -0.09 120.40 123.57 3iai s VAL 143 Ca -0.10 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.79 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 0.56 0.20 -0.76 0.00 0.00 0.00 175.10 175.10 3iai s LEU 144 N 0.11 4.16 -0.04 3.92 1.43 -0.54 -1.62 118.68 126.11 3iai s LEU 144 Ca -0.11 0.25 0.06 0.00 -1.03 0.00 0.00 54.13 53.30 3iai s LEU 144 Cb -0.16 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 3iai s LEU 144 CO 0.06 0.08 -0.22 0.00 0.23 0.00 0.00 176.35 176.51 3iai s ALA 145 N 0.83 1.87 -0.00 4.21 0.00 0.63 -1.25 121.76 128.04 3iai s ALA 145 Ca 0.10 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.16 3iai s ALA 145 Cb -0.13 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 3iai s ALA 145 CO 0.03 0.40 -0.06 0.00 0.00 0.00 0.00 175.76 176.13 3iai s ALA 146 N -0.26 0.47 0.20 0.00 0.00 -0.83 -1.10 121.76 120.24 3iai s ALA 146 Ca 0.02 -0.26 -0.24 0.00 0.00 0.00 0.00 51.96 51.47 3iai s ALA 146 Cb -0.11 -0.11 -0.08 0.00 0.00 0.00 0.00 23.12 22.82 3iai s ALA 146 CO 0.01 0.11 0.78 -0.06 0.00 0.00 0.00 175.76 176.60 3iai s PHE 147 N -0.19 3.81 -0.24 0.00 0.40 -1.26 -0.87 117.98 119.64 3iai s PHE 147 Ca 0.02 1.59 -0.07 0.00 -0.60 0.00 0.00 56.93 57.86 3iai s PHE 147 Cb -0.02 -2.75 -0.03 0.00 0.51 0.00 0.00 43.02 40.73 3iai s PHE 147 CO -0.00 0.43 0.06 -0.51 0.70 0.00 0.00 175.22 175.89 3iai s LEU 148 N -1.50 3.44 0.25 -0.37 1.43 0.31 -1.90 118.68 120.33 3iai s LEU 148 Ca 0.40 -0.18 0.10 0.00 -1.03 0.00 0.00 54.13 53.41 3iai s LEU 148 Cb -0.21 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 3iai s LEU 148 CO 0.24 -0.00 -0.05 -1.61 0.23 0.00 0.00 176.35 175.16 3iai s GLU 149 N 1.43 2.16 0.24 1.70 2.02 0.22 -2.71 118.70 123.76 3iai s GLU 149 Ca 0.05 -1.42 -0.30 0.00 0.02 0.00 0.00 54.97 53.32 3iai s GLU 149 Cb -0.15 -2.11 -0.09 0.00 0.10 0.00 0.00 34.13 31.88 3iai s GLU 149 CO 0.03 0.38 0.99 -2.00 0.02 0.00 0.00 175.26 174.68 3iai s GLU 150 N -3.45 4.78 0.20 1.61 2.12 -1.26 -0.35 118.70 122.35 3iai s GLU 150 Ca 0.30 1.59 -0.03 0.00 0.36 0.00 0.00 54.97 57.18 3iai s GLU 150 Cb -0.07 -3.26 -0.03 0.00 0.26 0.00 0.00 34.13 31.03 3iai s GLU 150 CO 0.18 0.40 0.18 0.20 -0.54 0.00 0.00 175.26 175.68 3iai s GLY 151 N -0.99 1.22 0.44 -1.50 0.00 0.14 -4.78 107.32 101.86 3iai s GLY 151 Ca 0.43 -1.52 0.28 0.00 0.00 0.00 0.00 44.72 43.90 3iai s GLY 151 CO 0.35 -1.26 1.79 -0.56 0.00 0.00 0.00 173.10 173.42 3iai h PRO 151 N 2.59 0.00 -6.16 2.90 0.13 -1.97 -3.35 132.00 126.14 3iai h PRO 151 Ca -0.34 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.16 3iai h PRO 151 Cb 1.24 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.29 3iai h PRO 151 CO 0.51 0.00 -0.58 -1.21 -0.23 0.00 0.00 178.00 176.49 3iai s GLU 152 N -3.40 2.95 0.08 0.86 2.02 -1.26 -4.94 118.70 115.02 3iai s GLU 152 Ca 0.05 -0.69 -0.31 0.00 0.02 0.00 0.00 54.97 54.04 3iai s GLU 152 Cb 0.08 -2.75 -0.06 0.00 0.10 0.00 0.00 34.13 31.49 3iai s GLU 152 CO 0.58 0.56 1.26 -2.00 0.02 0.00 0.00 175.26 175.68 3iai s GLU 153 N -2.53 4.40 -0.36 1.61 2.56 -1.26 -3.04 118.70 120.07 3iai s GLU 153 Ca 0.30 1.87 -0.21 0.00 0.00 0.00 0.00 54.97 56.94 3iai s GLU 153 Cb -0.12 -3.31 0.00 0.00 2.00 0.00 0.00 34.13 32.71 3iai s GLU 153 CO 0.23 -0.31 0.65 1.21 -0.56 0.00 0.00 175.26 176.48 3iai s ASN 154 N 1.04 6.43 0.21 -1.70 3.84 -1.26 -4.95 114.94 118.55 3iai s ASN 154 Ca 0.60 0.13 -0.08 0.00 0.21 0.00 0.00 52.86 53.72 3iai s ASN 154 Cb -0.32 -2.33 0.15 0.00 -0.55 0.00 0.00 41.25 38.20 3iai s ASN 154 CO 0.30 -0.62 1.79 0.28 -2.79 0.00 0.00 177.10 176.05 3iai h SER 155 N 8.50 1.05 0.05 -4.21 0.02 -1.94 -2.59 113.55 114.43 3iai h SER 155 Ca -0.26 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3iai h SER 155 Cb 1.11 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.38 3iai h SER 155 CO 0.85 0.91 -0.02 0.00 -1.14 0.00 0.00 176.83 177.42 3iai h ALA 156 N 1.18 -0.07 0.00 3.77 0.00 -1.93 -2.73 119.26 119.49 3iai h ALA 156 Ca 0.26 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3iai h ALA 156 Cb 0.16 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3iai h ALA 156 CO -0.03 -0.52 -0.01 1.88 0.00 0.00 0.00 179.25 180.57 3iai h TYR 157 N -0.11 0.00 -0.05 0.00 -1.99 -1.89 -2.72 116.97 110.21 3iai h TYR 157 Ca -0.01 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 3iai h TYR 157 Cb 0.09 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.82 3iai h TYR 157 CO -0.06 0.01 0.01 1.49 -0.00 0.00 0.00 178.16 179.61 3iai h GLU 158 N 0.00 0.07 -0.12 4.88 4.22 -1.13 0.18 114.58 122.68 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 0.39 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3iai h GLU 158 CO 0.00 0.07 -0.16 1.96 -2.18 0.00 0.00 179.01 178.70 3iai h GLN 159 N 0.07 0.19 0.03 1.92 4.20 -1.56 -1.60 115.11 118.37 3iai h GLN 159 Ca 0.02 -0.05 -0.32 0.00 0.06 0.00 0.00 58.65 58.37 3iai h GLN 159 Cb 0.03 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 3iai h GLN 159 CO -0.00 0.36 -1.74 1.28 -0.67 0.00 0.00 178.83 178.06 3iai n LEU 160 N -4.26 2.13 -0.16 1.46 4.77 -0.65 -4.28 117.00 116.02 3iai n LEU 160 Ca -0.01 0.32 0.01 0.00 -0.03 0.00 0.00 56.01 56.30 3iai n LEU 160 Cb 0.28 -0.97 0.28 0.00 -2.33 0.00 0.00 43.42 40.67 3iai n LEU 160 CO 0.38 0.51 1.18 -0.07 -1.33 0.00 0.00 177.39 178.06 3iai h LEU 161 N -0.68 0.76 -0.07 2.23 3.38 -1.03 -1.69 115.31 118.21 3iai h LEU 161 Ca -0.45 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3iai h LEU 161 Cb 1.57 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3iai h LEU 161 CO -0.17 0.58 0.00 -1.54 0.09 0.00 0.00 178.44 177.40 3iai n SER 162 N -4.41 0.08 -0.08 -0.43 3.41 -0.60 -2.70 113.62 108.89 3iai n SER 162 Ca 0.06 0.52 0.09 0.00 -0.26 0.00 0.00 58.87 59.28 3iai n SER 162 Cb 0.07 -0.54 -0.09 0.00 -0.26 0.00 0.00 64.21 63.40 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 -1.59 1.06 -0.33 4.33 5.12 -0.65 -4.57 116.66 120.04 3iai n ARG 163 Ca 0.04 -0.17 -0.02 0.00 -1.93 0.00 0.00 57.85 55.77 3iai n ARG 163 Cb 0.20 -1.36 0.10 0.00 -1.16 0.00 0.00 32.46 30.24 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 0.39 1.00 -0.92 0.55 3.38 -1.38 -2.88 115.31 115.45 3iai h LEU 164 Ca 0.00 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.04 3iai h LEU 164 Cb 0.47 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 3iai h LEU 164 CO 0.00 0.71 0.57 -0.08 0.09 0.00 0.00 178.44 179.73 3iai h GLU 165 N 1.18 0.95 0.00 1.13 4.57 -1.80 -0.77 114.58 119.84 3iai h GLU 165 Ca 0.34 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.44 3iai h GLU 165 Cb -0.09 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 28.28 3iai h GLU 165 CO -0.09 0.63 -0.07 1.49 -1.18 0.00 0.00 179.01 179.79 3iai h GLU 166 N 0.98 0.00 -0.27 1.92 4.57 -1.82 -2.41 114.58 117.56 3iai h GLU 166 Ca 0.42 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.45 3iai h GLU 166 Cb 0.29 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 28.78 3iai h GLU 166 CO -0.21 0.07 -0.30 0.44 -1.18 0.00 0.00 179.01 177.83 3iai n ILE 167 N -3.91 2.45 -0.21 2.32 -5.35 -0.38 -4.75 119.36 109.52 3iai n ILE 167 Ca -0.02 -3.10 0.09 0.00 -0.27 0.00 0.00 62.75 59.44 3iai n ILE 167 Cb 0.17 -0.39 0.37 0.00 -1.74 0.00 0.00 39.64 38.05 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 1.13 1.77 -2.50 -1.28 0.00 -0.78 -3.42 119.26 114.19 3iai h ALA 168 Ca 0.16 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.53 3iai h ALA 168 Cb 1.37 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.00 3iai h ALA 168 CO 0.30 0.08 0.61 -2.00 0.00 0.00 0.00 179.25 178.24 3iai s GLU 169 N -5.66 4.40 0.13 0.00 2.12 -1.26 -0.18 118.70 118.25 3iai s GLU 169 Ca -0.10 1.86 -0.35 0.00 0.36 0.00 0.00 54.97 56.75 3iai s GLU 169 Cb 0.20 -3.33 -0.15 0.00 0.26 0.00 0.00 34.13 31.12 3iai s GLU 169 CO 0.78 -0.32 1.50 -1.91 -0.54 0.00 0.00 175.26 174.77 3iai n GLU 170 N 3.98 1.83 -0.17 4.30 2.13 -1.23 -1.26 120.64 130.22 3iai n GLU 170 Ca 0.10 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.58 3iai n GLU 170 Cb 0.45 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.77 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 3.14 1.02 3.88 8.31 0.00 0.62 -4.97 105.19 117.18 3iai n GLY 171 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3iai n GLY 171 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iai s SER 172 N -2.90 6.40 0.14 1.61 0.01 -0.38 -4.86 113.70 113.72 3iai s SER 172 Ca 0.00 1.22 -0.12 0.00 1.31 0.00 0.00 55.95 58.36 3iai s SER 172 Cb 0.00 -2.37 0.01 0.00 0.21 0.00 0.00 66.02 63.87 3iai s SER 172 CO 0.00 -0.59 0.32 -1.83 0.41 0.00 0.00 173.24 171.55 3iai s GLU 173 N -4.43 1.10 0.08 12.44 -1.05 -1.26 -1.14 118.70 124.44 3iai s GLU 173 Ca 0.52 -0.99 -0.17 0.00 -0.15 0.00 0.00 54.97 54.19 3iai s GLU 173 Cb -0.10 0.41 0.03 0.00 -0.44 0.00 0.00 34.13 34.03 3iai s GLU 173 CO 0.40 -0.41 0.40 -0.08 0.95 0.00 0.00 175.26 176.52 3iai s THR 174 N -3.90 0.06 -0.10 1.83 -1.32 -0.39 -4.94 115.64 106.88 3iai s THR 174 Ca 0.10 -0.52 -0.15 0.00 -1.21 0.00 0.00 61.69 59.92 3iai s THR 174 Cb 0.03 -1.04 -0.05 0.00 -1.51 0.00 0.00 72.50 69.93 3iai s THR 174 CO -0.05 -0.28 0.36 -1.10 -2.21 0.00 0.00 174.62 171.34 3iai s GLN 175 N -3.02 4.12 0.18 7.08 -1.52 -1.26 -1.02 119.66 124.22 3iai s GLN 175 Ca -0.02 0.26 0.10 0.00 -1.95 0.00 0.00 55.36 53.75 3iai s GLN 175 Cb 0.00 -3.35 -0.04 0.00 -0.22 0.00 0.00 33.01 29.40 3iai s GLN 175 CO -0.06 0.39 -0.20 0.14 -0.25 0.00 0.00 175.29 175.31 3iai s VAL 176 N -0.05 2.04 0.72 1.09 -7.23 0.20 -4.90 120.40 112.26 3iai s VAL 176 Ca 0.21 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.22 3iai s VAL 176 Cb -0.15 -1.97 0.03 0.00 0.56 0.00 0.00 36.38 34.85 3iai s VAL 176 CO 0.08 -0.27 1.24 -2.84 -0.31 0.00 0.00 175.10 173.00 3iai s PRO 177 N -2.84 2.14 0.68 4.82 0.02 -1.26 -0.47 135.00 138.09 3iai s PRO 177 Ca 0.19 1.87 -0.17 0.00 0.02 0.00 0.00 61.00 62.91 3iai s PRO 177 Cb -0.06 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.65 3iai s PRO 177 CO 0.08 -1.86 1.25 0.20 -0.33 0.00 0.00 177.00 176.34 3iai s GLY 178 N -1.83 2.62 0.17 0.52 0.00 -0.05 -4.65 107.32 104.11 3iai s GLY 178 Ca 0.77 1.06 -0.07 0.00 0.00 0.00 0.00 44.72 46.48 3iai s GLY 178 CO 0.45 1.48 0.25 0.48 0.00 0.00 0.00 173.10 175.75 3iai s LEU 179 N -4.71 1.05 -0.70 0.66 2.34 -1.25 -4.48 118.68 111.59 3iai s LEU 179 Ca 0.79 -1.00 -0.25 0.00 0.06 0.00 0.00 54.13 53.73 3iai s LEU 179 Cb -0.33 1.00 0.05 0.00 -0.56 0.00 0.00 46.19 46.35 3iai s LEU 179 CO 0.42 -0.89 1.14 -0.62 -1.06 0.00 0.00 176.35 175.35 3iai s ASP 180 N -3.01 6.17 0.32 1.48 -1.08 -1.26 -2.94 116.67 116.35 3iai s ASP 180 Ca 0.22 -0.67 0.01 0.00 -0.52 0.00 0.00 52.55 51.58 3iai s ASP 180 Cb 0.04 -2.50 0.55 0.00 -1.46 0.00 0.00 42.92 39.55 3iai s ASP 180 CO 0.03 -1.67 1.94 0.40 0.52 0.00 0.00 175.17 176.39 3iai h ILE 181 N 6.01 1.19 0.00 4.11 1.08 -1.56 -2.29 117.51 126.05 3iai h ILE 181 Ca -0.28 -0.49 -0.01 0.00 -0.39 0.00 0.00 64.86 63.69 3iai h ILE 181 Cb 1.06 0.39 -0.00 0.00 -3.07 0.00 0.00 36.82 35.19 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 0.84 0.00 0.67 1.72 4.64 -1.90 -2.07 113.55 117.46 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 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3iai h SER 182 CO -0.03 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3iai n ALA 183 N -2.12 1.69 1.18 5.18 0.00 -0.86 -1.71 120.51 123.87 3iai n ALA 183 Ca -0.01 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.60 3iai n ALA 183 Cb 0.25 -1.34 0.50 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 -1.97 0.39 -4.90 0.00 4.77 -0.78 -4.81 117.00 109.71 3iai n LEU 184 Ca 0.03 0.11 -0.21 0.00 -0.03 0.00 0.00 56.01 55.91 3iai n LEU 184 Cb 0.22 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3iai n LEU 184 CO 0.18 0.08 -0.09 -0.76 -1.33 0.00 0.00 177.39 175.47 3iai s LEU 185 N -2.75 4.05 1.08 2.23 1.43 -0.69 -4.97 118.68 119.06 3iai s LEU 185 Ca 0.20 -0.11 -0.15 0.00 -1.03 0.00 0.00 54.13 53.04 3iai s LEU 185 Cb 0.19 -2.60 0.16 0.00 0.03 0.00 0.00 46.19 43.97 3iai s LEU 185 CO 0.55 -0.09 0.55 -2.65 0.23 0.00 0.00 176.35 174.95 3iai n PRO 186 N -1.32 -1.52 -0.12 1.29 -0.02 -1.26 -4.96 135.00 127.09 3iai n PRO 186 Ca -0.08 -0.41 -0.12 0.00 -2.02 0.00 0.00 63.50 60.87 3iai n PRO 186 Cb 0.58 -1.97 -0.03 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 -2.17 0.74 -3.67 2.55 0.87 -1.91 -3.43 113.55 106.53 3iai h SER 187 Ca -0.53 -0.40 -0.66 0.00 -1.23 0.00 0.00 61.79 58.97 3iai h SER 187 Cb 1.33 -0.20 -0.22 0.00 -0.44 0.00 0.00 62.40 62.86 3iai h SER 187 CO 0.41 0.97 -0.59 -0.62 -0.53 0.00 0.00 176.83 176.47 3iai s ASP 188 N -6.40 5.34 0.00 6.23 -1.08 -1.26 -4.96 116.67 114.54 3iai s ASP 188 Ca -0.13 -0.31 0.23 0.00 -0.52 0.00 0.00 52.55 51.83 3iai s ASP 188 Cb 0.09 -1.96 0.87 0.00 -1.46 0.00 0.00 42.92 40.46 3iai s ASP 188 CO 0.81 -0.09 1.62 0.49 0.52 0.00 0.00 175.17 178.53 3iai n PHE 189 N 4.95 0.14 0.82 -5.34 0.99 -1.26 -3.94 117.46 113.81 3iai n PHE 189 Ca -0.15 -0.07 0.10 0.00 -0.00 0.00 0.00 57.45 57.33 3iai n PHE 189 Cb 0.51 0.00 -0.12 0.00 -1.00 0.00 0.00 39.48 38.87 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 0.23 0.81 -4.26 4.37 3.41 -1.26 -1.52 113.62 115.41 3iai n SER 189 Ca 0.17 -0.79 -0.38 0.00 -0.26 0.00 0.00 58.87 57.61 3iai n SER 189 Cb 0.33 1.15 -0.12 0.00 -0.26 0.00 0.00 64.21 65.31 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 -3.09 2.56 0.23 4.33 0.52 -1.25 -4.64 118.95 117.59 3iai s ARG 190 Ca 0.05 -1.31 -0.22 0.00 -0.52 0.00 0.00 55.73 53.74 3iai s ARG 190 Cb 0.16 -3.54 0.04 0.00 0.52 0.00 0.00 34.95 32.12 3iai s ARG 190 CO 0.87 -0.77 0.66 1.52 0.02 0.00 0.00 175.30 177.60 3iai s TYR 191 N 1.38 -0.33 0.14 -0.53 -0.85 -1.26 -1.14 117.35 114.76 3iai s TYR 191 Ca 0.00 -0.02 0.06 0.00 -0.52 0.00 0.00 57.07 56.58 3iai s TYR 191 Cb -0.21 0.64 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 3iai s TYR 191 CO 0.02 -1.07 0.05 -0.06 -1.52 0.00 0.00 175.55 172.97 3iai s PHE 192 N -3.85 3.01 -0.12 -3.49 0.40 -0.13 -1.06 117.98 112.74 3iai s PHE 192 Ca 0.07 -0.05 -0.10 0.00 -0.60 0.00 0.00 56.93 56.25 3iai s PHE 192 Cb -0.04 -1.48 0.03 0.00 0.51 0.00 0.00 43.02 42.04 3iai s PHE 192 CO -0.02 0.51 0.30 -1.14 0.70 0.00 0.00 175.22 175.58 3iai s GLN 193 N -2.78 0.34 0.26 0.44 0.74 0.37 -0.83 119.66 118.20 3iai s GLN 193 Ca 0.28 0.46 -0.20 0.00 0.05 0.00 0.00 55.36 55.96 3iai s GLN 193 Cb -0.10 0.12 0.02 0.00 1.10 0.00 0.00 33.01 34.14 3iai s GLN 193 CO 0.20 -0.07 0.67 1.52 -0.55 0.00 0.00 175.29 177.06 3iai s TYR 194 N 0.40 -0.13 -0.15 1.67 -0.85 -0.75 -0.68 117.35 116.86 3iai s TYR 194 Ca -0.02 -0.29 -0.04 0.00 -0.52 0.00 0.00 57.07 56.20 3iai s TYR 194 Cb -0.04 0.61 -0.03 0.00 0.38 0.00 0.00 41.96 42.88 3iai s TYR 194 CO -0.02 -1.16 0.01 -2.00 -1.52 0.00 0.00 175.55 170.86 3iai s GLU 195 N -3.92 3.61 0.00 -3.49 2.12 -1.26 -0.73 118.70 115.03 3iai s GLU 195 Ca 0.12 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 55.02 3iai s GLU 195 Cb -0.05 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 31.36 3iai s GLU 195 CO 0.05 0.37 0.00 0.41 -0.54 0.00 0.00 175.26 175.55 3iai n GLY 196 N 3.18 4.32 3.29 -1.50 0.00 0.74 -4.92 105.19 110.30 3iai n GLY 196 Ca -0.17 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 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 1.76 0.51 1.61 1.04 -1.25 -1.41 113.70 117.43 3iai s SER 197 Ca 0.00 -1.78 -0.20 0.00 0.48 0.00 0.00 55.95 54.45 3iai s SER 197 Cb 0.00 0.56 -0.07 0.00 0.10 0.00 0.00 66.02 66.61 3iai s SER 197 CO 0.00 -1.07 1.08 -0.76 0.98 0.00 0.00 173.24 173.46 3iai s LEU 198 N -3.38 3.80 0.00 2.42 1.43 -0.81 -4.32 118.68 117.81 3iai s LEU 198 Ca 0.41 2.03 0.20 0.00 -1.03 0.00 0.00 54.13 55.74 3iai s LEU 198 Cb 0.02 -4.57 0.70 0.00 0.03 0.00 0.00 46.19 42.37 3iai s LEU 198 CO 0.29 -0.98 1.51 0.35 0.23 0.00 0.00 176.35 177.75 3iai n THR 199 N -1.13 0.24 -4.08 5.49 -2.24 -1.26 -4.40 114.28 106.90 3iai n THR 199 Ca 0.10 -0.36 -0.09 0.00 -2.27 0.00 0.00 64.05 61.43 3iai n THR 199 Cb 0.52 0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 69.00 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 -1.76 0.33 0.42 4.28 -4.23 -1.26 -4.72 115.64 108.70 3iai s THR 200 Ca 0.31 -1.57 -0.24 0.00 -1.18 0.00 0.00 61.69 59.02 3iai s THR 200 Cb 0.17 -1.19 -0.11 0.00 1.34 0.00 0.00 72.50 72.71 3iai s THR 200 CO 0.25 -0.80 0.88 -2.65 -0.54 0.00 0.00 174.62 171.76 3iai n PRO 201 N 0.54 1.11 0.00 3.99 -0.02 -1.26 -0.44 135.00 138.91 3iai n PRO 201 Ca -0.17 0.40 0.06 0.00 -2.02 0.00 0.00 63.50 61.77 3iai n PRO 201 Cb 0.59 -1.89 0.36 0.00 -0.02 0.00 0.00 33.50 32.54 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 0.22 0.64 -2.87 0.52 -0.04 -1.26 -4.98 135.00 127.23 3iai n PRO 202 Ca 0.10 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.38 3iai n PRO 202 Cb 0.39 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 -2.90 1.52 -2.30 0.00 0.00 -1.26 -4.23 120.51 111.33 3iai n ALA 204 Ca -0.10 0.37 -0.22 0.00 0.00 0.00 0.00 53.44 53.49 3iai n ALA 204 Cb 0.59 -2.30 0.15 0.00 0.00 0.00 0.00 19.45 17.90 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 0.94 -0.62 -0.61 0.00 6.02 -1.26 -1.92 117.38 119.93 3iai n GLN 205 Ca 0.06 -2.41 0.00 0.00 -0.01 0.00 0.00 57.00 54.64 3iai n GLN 205 Cb 0.36 -0.96 0.00 0.00 1.02 0.00 0.00 30.24 30.66 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 -3.02 0.72 3.71 1.08 0.00 -0.50 -3.24 105.19 103.94 3iai n GLY 206 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.30 4.96 -0.33 1.61 1.01 -0.61 -0.67 120.40 124.07 3iai s VAL 207 Ca 0.00 1.74 -0.20 0.00 0.00 0.00 0.00 61.98 63.52 3iai s VAL 207 Cb 0.00 -4.17 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 3iai s VAL 207 CO 0.00 0.20 0.63 -0.63 0.00 0.00 0.00 175.10 175.31 3iai s ILE 208 N 0.92 4.91 -0.18 2.22 1.01 -0.68 -0.19 121.20 129.21 3iai s ILE 208 Ca 0.44 0.70 -0.11 0.00 0.00 0.00 0.00 60.65 61.68 3iai s ILE 208 Cb -0.19 -4.04 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 3iai s ILE 208 CO 0.23 -0.24 0.18 0.26 0.00 0.00 0.00 174.94 175.37 3iai s TRP 209 N 2.67 3.44 -0.19 3.97 0.52 0.09 -1.51 118.94 127.92 3iai s TRP 209 Ca 0.25 0.43 0.01 0.00 0.02 0.00 0.00 56.10 56.80 3iai s TRP 209 Cb -0.15 -2.21 0.04 0.00 -1.15 0.00 0.00 33.47 30.00 3iai s TRP 209 CO 0.14 0.29 -0.12 0.99 0.02 0.00 0.00 176.95 178.27 3iai s THR 210 N 0.33 1.68 -0.25 2.01 2.01 -0.64 -1.80 115.64 118.97 3iai s THR 210 Ca 0.11 -0.94 -0.04 0.00 0.31 0.00 0.00 61.69 61.13 3iai s THR 210 Cb -0.12 -1.70 0.01 0.00 0.01 0.00 0.00 72.50 70.71 3iai s THR 210 CO 0.00 0.25 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.48 3iai s VAL 211 N 1.40 3.33 0.37 3.82 1.01 -0.01 -0.27 120.40 130.05 3iai s VAL 211 Ca 0.00 -0.78 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 3iai s VAL 211 Cb -0.15 -2.65 -0.11 0.00 0.00 0.00 0.00 36.38 33.46 3iai s VAL 211 CO -0.09 0.22 1.51 0.49 0.00 0.00 0.00 175.10 177.23 3iai n PHE 212 N 4.76 3.00 0.11 5.22 3.01 -0.26 -0.95 117.46 132.35 3iai n PHE 212 Ca -0.16 0.42 -0.02 0.00 1.01 0.00 0.00 57.45 58.70 3iai n PHE 212 Cb 0.48 -2.54 0.02 0.00 -0.01 0.00 0.00 39.48 37.43 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 3.16 0.00 -3.18 4.37 -0.00 -1.47 -3.45 115.58 115.03 3iai h ASN 213 Ca -0.50 0.00 -0.58 0.00 -0.00 0.00 0.00 56.30 55.22 3iai h ASN 213 Cb 1.24 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 39.52 3iai h ASN 213 CO 0.66 0.71 -0.26 -1.10 -0.00 0.00 0.00 177.43 177.44 3iai s GLN 214 N -3.01 3.69 0.49 6.67 -0.21 -1.26 -5.06 119.66 120.97 3iai s GLN 214 Ca 0.02 0.06 0.08 0.00 0.02 0.00 0.00 55.36 55.53 3iai s GLN 214 Cb 0.10 -2.88 0.03 0.00 1.00 0.00 0.00 33.01 31.25 3iai s GLN 214 CO 0.77 0.49 0.56 0.95 -2.12 0.00 0.00 175.29 175.94 3iai s THR 215 N -1.57 2.41 0.03 -0.19 -4.23 -1.26 -4.64 115.64 106.18 3iai s THR 215 Ca 0.39 -1.18 0.09 0.00 -1.18 0.00 0.00 61.69 59.81 3iai s THR 215 Cb -0.13 -2.59 -0.03 0.00 1.34 0.00 0.00 72.50 71.10 3iai s THR 215 CO 0.21 0.00 -0.26 0.68 -0.54 0.00 0.00 174.62 174.71 3iai s VAL 216 N -2.55 2.13 -0.11 2.29 -7.23 -0.80 -4.73 120.40 109.40 3iai s VAL 216 Ca 0.52 -1.34 -0.04 0.00 -1.81 0.00 0.00 61.98 59.30 3iai s VAL 216 Cb -0.05 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 3iai s VAL 216 CO 0.31 0.41 0.07 -0.04 -0.31 0.00 0.00 175.10 175.54 3iai s MET 217 N -1.13 3.23 0.13 4.82 -1.94 -1.26 -0.61 119.30 122.55 3iai s MET 217 Ca 0.11 -0.27 0.08 0.00 -1.71 0.00 0.00 55.69 53.90 3iai s MET 217 Cb -0.10 -2.99 -0.04 0.00 2.01 0.00 0.00 34.83 33.71 3iai s MET 217 CO 0.01 0.72 -0.18 -0.51 -0.01 0.00 0.00 175.02 175.06 3iai s LEU 218 N -0.90 2.38 0.85 -0.03 1.02 0.52 -4.49 118.68 118.03 3iai s LEU 218 Ca 0.14 -0.78 -0.12 0.00 0.02 0.00 0.00 54.13 53.39 3iai s LEU 218 Cb -0.12 -0.77 0.10 0.00 0.02 0.00 0.00 46.19 45.43 3iai s LEU 218 CO 0.03 -0.03 1.10 -0.94 0.02 0.00 0.00 176.35 176.53 3iai s SER 219 N -2.34 3.98 0.24 2.29 1.04 -1.17 0.29 113.70 118.03 3iai s SER 219 Ca 0.10 1.31 -0.07 0.00 0.48 0.00 0.00 55.95 57.77 3iai s SER 219 Cb -0.07 -2.00 0.24 0.00 0.10 0.00 0.00 66.02 64.29 3iai s SER 219 CO 0.05 -2.29 1.92 0.00 0.98 0.00 0.00 173.24 173.89 3iai h ALA 220 N -1.31 1.23 -0.44 5.32 0.00 -1.92 -1.50 119.26 120.64 3iai h ALA 220 Ca -0.49 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 3iai h ALA 220 Cb 1.28 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3iai h ALA 220 CO 0.58 0.61 0.21 0.87 0.00 0.00 0.00 179.25 181.53 3iai h LYS 221 N 1.30 0.63 -0.85 0.00 1.57 -1.94 -1.66 116.57 115.63 3iai h LYS 221 Ca 0.35 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3iai h LYS 221 Cb -0.15 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.01 3iai h LYS 221 CO -0.08 0.54 0.51 1.96 -0.57 0.00 0.00 179.45 181.81 3iai h GLN 222 N 0.57 1.15 -0.22 3.15 4.20 -1.79 0.45 115.11 122.62 3iai h GLN 222 Ca 0.15 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 3iai h GLN 222 Cb 0.12 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 3iai h GLN 222 CO -0.02 0.81 -0.12 -0.07 -0.67 0.00 0.00 178.83 178.75 3iai h LEU 223 N 1.16 0.35 -0.36 1.46 3.38 -1.02 -0.28 115.31 120.00 3iai h LEU 223 Ca 0.30 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 58.03 3iai h LEU 223 Cb -0.05 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3iai h LEU 223 CO -0.06 0.51 -0.41 -0.74 0.09 0.00 0.00 178.44 177.83 3iai h HIS 224 N 0.34 1.10 -0.69 1.13 2.76 -0.38 -2.37 115.15 117.05 3iai h HIS 224 Ca 0.07 -0.34 -0.02 0.00 -2.20 0.00 0.00 60.37 57.87 3iai h HIS 224 Cb 0.43 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.13 3iai h HIS 224 CO 0.01 1.17 0.36 1.15 -1.30 0.00 0.00 177.93 179.32 3iai h THR 225 N 0.72 1.22 -0.50 6.26 2.02 -0.25 -0.84 112.91 121.54 3iai h THR 225 Ca 0.05 -0.60 -0.07 0.00 0.77 0.00 0.00 66.41 66.57 3iai h THR 225 Cb 1.01 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3iai h THR 225 CO 0.10 0.25 0.04 0.25 0.37 0.00 0.00 175.52 176.53 3iai h LEU 226 N 0.96 0.77 -2.55 2.58 5.85 -0.98 -3.07 115.31 118.87 3iai h LEU 226 Ca 0.24 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3iai h LEU 226 Cb 0.08 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.91 3iai h LEU 226 CO -0.03 0.81 0.00 -1.54 -0.34 0.00 0.00 178.44 177.34 3iai n SER 227 N -4.23 3.41 -0.11 1.25 3.41 -0.90 -4.55 113.62 111.90 3iai n SER 227 Ca 0.03 -1.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 3iai n SER 227 Cb 0.28 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 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 1.25 0.07 -0.13 4.04 2.03 -0.34 -4.66 116.55 118.81 3iai n ASP 227 Ca 0.18 -1.26 -0.24 0.00 0.52 0.00 0.00 54.79 53.99 3iai n ASP 227 Cb 0.55 -0.05 -0.10 0.00 -0.72 0.00 0.00 41.12 40.80 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 -0.02 1.41 -2.62 5.18 -1.04 -1.16 -5.01 114.28 111.01 3iai n THR 228 Ca 0.00 -0.41 -0.34 0.00 -2.04 0.00 0.00 64.05 61.26 3iai n THR 228 Cb 0.54 -1.70 -0.05 0.00 -1.82 0.00 0.00 70.33 67.30 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 -7.10 3.94 0.11 -4.42 1.43 -1.26 -4.76 118.68 106.62 3iai s LEU 229 Ca -0.35 1.89 0.07 0.00 -1.03 0.00 0.00 54.13 54.70 3iai s LEU 229 Cb 0.12 -4.47 -0.04 0.00 0.03 0.00 0.00 46.19 41.84 3iai s LEU 229 CO 0.48 -0.59 -0.08 0.26 0.23 0.00 0.00 176.35 176.65 3iai s TRP 230 N -1.96 2.78 0.00 0.29 0.52 0.75 -0.45 118.94 120.87 3iai s TRP 230 Ca 0.64 -0.14 0.00 0.00 0.02 0.00 0.00 56.10 56.62 3iai s TRP 230 Cb -0.16 -1.43 0.00 0.00 -1.15 0.00 0.00 33.47 30.73 3iai s TRP 230 CO 0.20 0.45 0.00 0.41 0.02 0.00 0.00 176.95 178.03 3iai n GLY 231 N 0.56 5.31 3.70 0.98 0.00 0.41 -3.47 105.19 112.67 3iai n GLY 231 Ca -0.12 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.16 3iai n GLY 231 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3iai n PRO 232 N 0.00 0.54 -1.91 1.61 -0.02 -1.26 -3.66 135.00 130.30 3iai n PRO 232 Ca 0.00 0.25 -0.09 0.00 -2.02 0.00 0.00 63.50 61.64 3iai n PRO 232 Cb 0.00 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.01 3iai n PRO 232 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iai n GLY 237 N 0.73 0.32 4.01 -1.23 0.00 -1.26 -3.72 105.19 104.03 3iai n GLY 237 Ca 0.14 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.36 3iai n GLY 237 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3iai n ASP 238 N 0.29 -0.56 -4.03 1.61 2.03 -1.24 -4.96 116.55 109.69 3iai n ASP 238 Ca -0.11 -1.07 -0.10 0.00 0.52 0.00 0.00 54.79 54.03 3iai n ASP 238 Cb 0.50 -2.75 -0.07 0.00 -0.72 0.00 0.00 41.12 38.08 3iai n ASP 238 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3iai s SER 239 N -4.28 0.02 0.42 1.67 1.04 -1.24 -5.04 113.70 106.28 3iai s SER 239 Ca 0.05 -1.01 -0.25 0.00 0.48 0.00 0.00 55.95 55.22 3iai s SER 239 Cb -0.02 0.48 -0.08 0.00 0.10 0.00 0.00 66.02 66.49 3iai s SER 239 CO 0.91 -0.97 1.25 -0.13 0.98 0.00 0.00 173.24 175.28 3iai s ARG 240 N -4.03 3.92 -0.58 4.02 0.52 -1.26 -0.45 118.95 121.09 3iai s ARG 240 Ca 0.24 2.03 -0.28 0.00 -0.52 0.00 0.00 55.73 57.20 3iai s ARG 240 Cb 0.03 -2.67 0.03 0.00 0.52 0.00 0.00 34.95 32.86 3iai s ARG 240 CO 0.06 -0.49 1.19 -1.17 0.02 0.00 0.00 175.30 174.91 3iai s LEU 241 N -2.57 3.46 0.16 2.53 0.20 0.40 -4.51 118.68 118.35 3iai s LEU 241 Ca 0.58 0.09 -0.00 0.00 0.69 0.00 0.00 54.13 55.49 3iai s LEU 241 Cb -0.35 -3.15 -0.04 0.00 -0.43 0.00 0.00 46.19 42.22 3iai s LEU 241 CO 0.44 -1.48 0.06 -1.10 -0.29 0.00 0.00 176.35 173.98 3iai s GLN 242 N 4.95 1.03 -1.63 1.98 -0.21 -1.26 -4.76 119.66 119.75 3iai s GLN 242 Ca 0.43 -1.51 -0.17 0.00 0.02 0.00 0.00 55.36 54.13 3iai s GLN 242 Cb -0.08 0.13 0.13 0.00 1.00 0.00 0.00 33.01 34.19 3iai s GLN 242 CO 0.25 -0.26 0.87 1.28 -2.12 0.00 0.00 175.29 175.31 3iai n LEU 243 N -0.17 -2.06 -3.50 2.90 4.77 -0.47 -4.83 117.00 113.64 3iai n LEU 243 Ca -0.04 -0.91 -0.40 0.00 -0.03 0.00 0.00 56.01 54.62 3iai n LEU 243 Cb 0.64 -2.28 -0.01 0.00 -2.33 0.00 0.00 43.42 39.44 3iai n LEU 243 CO 0.32 0.37 2.74 -0.46 -1.33 0.00 0.00 177.39 179.03 3iai n ASN 244 N -2.73 7.40 -4.05 -1.43 6.94 -0.99 -4.86 115.26 115.52 3iai n ASN 244 Ca 0.06 -2.90 -0.09 0.00 -0.02 0.00 0.00 54.58 51.64 3iai n ASN 244 Cb 0.51 -1.49 -0.11 0.00 -2.36 0.00 0.00 39.78 36.33 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 0.78 0.47 0.05 -2.53 -0.12 -1.26 -4.36 117.98 111.01 3iai s PHE 245 Ca 0.57 -0.78 -0.06 0.00 -0.05 0.00 0.00 56.93 56.61 3iai s PHE 245 Cb 0.17 -0.32 -0.05 0.00 -0.63 0.00 0.00 43.02 42.18 3iai s PHE 245 CO -0.07 -0.25 0.30 0.50 -0.05 0.00 0.00 175.22 175.65 3iai s ARG 246 N -2.70 3.59 0.59 1.99 3.52 -1.26 -4.99 118.95 119.69 3iai s ARG 246 Ca -0.03 -0.09 -0.19 0.00 -0.13 0.00 0.00 55.73 55.29 3iai s ARG 246 Cb -0.01 -3.02 -0.04 0.00 -1.56 0.00 0.00 34.95 30.32 3iai s ARG 246 CO -0.05 0.60 1.22 0.00 -0.81 0.00 0.00 175.30 176.27 3iai s ALA 247 N -1.40 2.58 0.54 6.12 0.00 -1.26 -4.75 121.76 123.58 3iai s ALA 247 Ca 0.31 1.05 -0.22 0.00 0.00 0.00 0.00 51.96 53.11 3iai s ALA 247 Cb -0.13 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 3iai s ALA 247 CO 0.19 -1.18 1.33 0.95 0.00 0.00 0.00 175.76 177.05 3iai s THR 248 N -1.55 2.20 0.06 0.00 -4.23 -1.26 -4.50 115.64 106.36 3iai s THR 248 Ca 0.77 0.15 0.04 0.00 -1.18 0.00 0.00 61.69 61.47 3iai s THR 248 Cb -0.32 -3.07 -0.04 0.00 1.34 0.00 0.00 72.50 70.41 3iai s THR 248 CO 0.35 -0.00 -0.03 -1.10 -0.54 0.00 0.00 174.62 173.29 3iai s GLN 249 N -2.91 2.50 0.45 3.99 -1.52 0.12 -4.96 119.66 117.33 3iai s GLN 249 Ca 0.71 -0.81 -0.24 0.00 -1.95 0.00 0.00 55.36 53.06 3iai s GLN 249 Cb -0.39 -2.50 -0.07 0.00 -0.22 0.00 0.00 33.01 29.82 3iai s GLN 249 CO 0.46 0.56 1.28 -1.25 -0.25 0.00 0.00 175.29 176.09 3iai s PRO 250 N -1.98 3.73 0.40 2.91 0.04 -1.26 -4.41 135.00 134.43 3iai s PRO 250 Ca 0.22 2.08 0.12 0.00 0.04 0.00 0.00 61.00 63.46 3iai s PRO 250 Cb -0.11 -2.56 0.85 0.00 0.04 0.00 0.00 34.50 32.72 3iai s PRO 250 CO 0.14 -0.67 1.92 -0.07 0.04 0.00 0.00 177.00 178.36 3iai h LEU 251 N 2.24 0.11 -1.51 -3.56 3.38 -1.91 -3.43 115.31 110.63 3iai h LEU 251 Ca -0.50 -0.02 -0.50 0.00 0.09 0.00 0.00 57.88 56.94 3iai h LEU 251 Cb 1.26 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.90 3iai h LEU 251 CO 0.61 0.31 -0.84 0.59 0.09 0.00 0.00 178.44 179.19 3iai n ASN 252 N -4.26 -2.01 0.00 -0.43 3.02 -1.26 -1.87 115.26 108.45 3iai n ASN 252 Ca -0.02 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 3iai n ASN 252 Cb 0.29 -3.20 0.00 0.00 -0.61 0.00 0.00 39.78 36.25 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 -1.73 3.16 3.77 7.41 0.00 -1.26 -5.04 105.19 111.49 3iai n GLY 253 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.95 3.76 -0.21 1.61 0.52 -0.78 -5.01 118.95 117.89 3iai s ARG 254 Ca 0.00 1.98 -0.03 0.00 -0.52 0.00 0.00 55.73 57.16 3iai s ARG 254 Cb 0.00 -2.53 -0.01 0.00 0.52 0.00 0.00 34.95 32.93 3iai s ARG 254 CO 0.00 -0.61 -0.06 0.08 0.02 0.00 0.00 175.30 174.73 3iai s VAL 255 N -1.39 3.26 0.13 3.52 1.01 -1.26 -4.92 120.40 120.76 3iai s VAL 255 Ca 0.62 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 3iai s VAL 255 Cb -0.34 -2.47 -0.07 0.00 0.00 0.00 0.00 36.38 33.50 3iai s VAL 255 CO 0.42 0.44 1.07 -0.63 0.00 0.00 0.00 175.10 176.40 3iai s ILE 256 N 1.39 4.10 0.14 2.22 1.01 -1.26 -4.87 121.20 123.92 3iai s ILE 256 Ca 0.05 1.73 -0.03 0.00 0.00 0.00 0.00 60.65 62.40 3iai s ILE 256 Cb -0.14 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 3iai s ILE 256 CO -0.04 0.26 0.34 -1.61 0.00 0.00 0.00 174.94 173.89 3iai s GLU 257 N -0.00 3.55 -0.03 2.79 2.02 0.14 -0.56 118.70 126.61 3iai s GLU 257 Ca 0.50 -0.23 0.06 0.00 0.02 0.00 0.00 54.97 55.32 3iai s GLU 257 Cb -0.27 -2.89 -0.01 0.00 0.10 0.00 0.00 34.13 31.05 3iai s GLU 257 CO 0.32 0.48 -0.22 0.00 0.02 0.00 0.00 175.26 175.87 3iai s ALA 258 N -1.68 1.84 -2.22 5.21 0.00 0.12 -0.48 121.76 124.56 3iai s ALA 258 Ca 0.39 -0.92 0.25 0.00 0.00 0.00 0.00 51.96 51.68 3iai s ALA 258 Cb -0.12 -0.52 1.18 0.00 0.00 0.00 0.00 23.12 23.67 3iai s ALA 258 CO 0.26 0.41 1.80 -1.13 0.00 0.00 0.00 175.76 177.10 3iai n SER 259 N 2.74 0.88 -4.05 0.00 3.41 -0.23 -0.86 113.62 115.50 3iai n SER 259 Ca -0.16 -1.42 -0.13 0.00 -0.26 0.00 0.00 58.87 56.90 3iai n SER 259 Cb 0.52 -0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 64.33 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 -1.94 0.62 -2.00 7.33 -0.71 -1.26 -4.88 117.98 115.14 3iai s PHE 260 Ca 0.37 -0.48 0.18 0.00 -1.04 0.00 0.00 56.93 55.96 3iai s PHE 260 Cb 0.19 -0.38 1.05 0.00 -1.21 0.00 0.00 43.02 42.67 3iai s PHE 260 CO 0.30 -0.09 1.45 -0.35 -1.34 0.00 0.00 175.22 175.19