#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1htt s ILE 5 N 0.00 4.45 0.51 -1.44 1.09 -1.26 -5.09 121.20 119.46 1htt s ILE 5 Ca 0.00 1.10 0.01 0.00 -1.10 0.00 0.00 60.65 60.66 1htt s ILE 5 Cb 0.00 -3.69 -0.01 0.00 -1.06 0.00 0.00 42.46 37.70 1htt s ILE 5 CO 0.00 -0.75 0.02 -1.10 -0.10 0.00 0.00 174.94 173.01 1htt s GLN 6 N -4.29 2.19 0.32 2.79 -0.21 -1.26 -5.13 119.66 114.07 1htt s GLN 6 Ca 0.59 -2.40 -0.23 0.00 0.02 0.00 0.00 55.36 53.34 1htt s GLN 6 Cb -0.11 -1.41 -0.10 0.00 1.00 0.00 0.00 33.01 32.40 1htt s GLN 6 CO 0.36 -0.40 0.89 0.00 -2.12 0.00 0.00 175.29 174.02 1htt s ALA 7 N -2.93 3.22 0.31 6.09 0.00 -1.26 -5.00 121.76 122.19 1htt s ALA 7 Ca 0.06 0.39 -0.29 0.00 0.00 0.00 0.00 51.96 52.12 1htt s ALA 7 Cb 0.01 -3.07 -0.13 0.00 0.00 0.00 0.00 23.12 19.93 1htt s ALA 7 CO 0.03 0.21 1.32 -0.89 0.00 0.00 0.00 175.76 176.43 1htt n ILE 8 N 0.28 1.69 -1.85 0.00 2.08 -1.26 -4.83 119.36 115.47 1htt n ILE 8 Ca 0.02 -0.42 -0.42 0.00 0.56 0.00 0.00 62.75 62.49 1htt n ILE 8 Cb 0.51 -1.53 -0.02 0.00 -0.75 0.00 0.00 39.64 37.85 1htt n ILE 8 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 1htt s ARG 9 N -1.43 4.17 0.00 0.38 3.52 -1.26 -1.55 118.95 122.78 1htt s ARG 9 Ca 0.59 2.49 0.00 0.00 -0.13 0.00 0.00 55.73 58.68 1htt s ARG 9 Cb -0.59 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 29.73 1htt s ARG 9 CO 0.58 -0.60 0.00 0.41 -0.81 0.00 0.00 175.30 174.89 1htt n GLY 10 N 2.65 0.48 3.07 8.12 0.00 -1.26 -4.81 105.19 113.44 1htt n GLY 10 Ca 0.10 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1htt n GLY 10 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1htt s MET 11 N -0.62 2.49 0.07 1.61 -1.94 -0.59 -0.42 119.30 119.89 1htt s MET 11 Ca 0.00 -0.95 0.01 0.00 -1.71 0.00 0.00 55.69 53.04 1htt s MET 11 Cb 0.00 -2.58 -0.04 0.00 2.01 0.00 0.00 34.83 34.22 1htt s MET 11 CO 0.00 -0.36 0.19 -0.80 -0.01 0.00 0.00 175.02 174.04 1htt s ASN 12 N 1.28 6.23 -0.03 3.03 0.01 -1.26 -4.61 114.94 119.59 1htt s ASN 12 Ca -0.00 0.22 -0.05 0.00 -0.71 0.00 0.00 52.86 52.32 1htt s ASN 12 Cb -0.16 -1.88 -0.04 0.00 0.41 0.00 0.00 41.25 39.58 1htt s ASN 12 CO -0.09 0.17 0.20 -1.81 -1.51 0.00 0.00 177.10 174.05 1htt s ASP 13 N -2.52 6.41 -0.29 -1.22 1.01 -1.26 -5.07 116.67 113.73 1htt s ASP 13 Ca 0.34 0.44 -0.00 0.00 0.71 0.00 0.00 52.55 54.03 1htt s ASP 13 Cb -0.13 -2.04 0.05 0.00 1.01 0.00 0.00 42.92 41.81 1htt s ASP 13 CO 0.27 0.30 -0.02 -0.31 0.21 0.00 0.00 175.17 175.61 1htt s TYR 14 N -1.24 3.28 0.92 4.23 2.02 -1.26 -5.09 117.35 120.21 1htt s TYR 14 Ca 0.24 -2.02 -0.12 0.00 -0.37 0.00 0.00 57.07 54.80 1htt s TYR 14 Cb -0.13 -2.10 0.14 0.00 -0.40 0.00 0.00 41.96 39.48 1htt s TYR 14 CO 0.14 -0.83 1.12 -0.51 -1.57 0.00 0.00 175.55 173.90 1htt s LEU 15 N 1.21 2.00 0.22 -1.29 1.43 -1.26 -4.72 118.68 116.27 1htt s LEU 15 Ca -0.06 1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 54.01 1htt s LEU 15 Cb -0.20 -3.42 0.29 0.00 0.03 0.00 0.00 46.19 42.89 1htt s LEU 15 CO -0.02 -2.62 1.62 -0.65 0.23 0.00 0.00 176.35 174.91 1htt h PRO 16 N -1.54 0.00 -0.85 1.29 0.11 -1.99 -1.57 132.00 127.46 1htt h PRO 16 Ca -0.51 -0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.69 1htt h PRO 16 Cb 1.32 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.37 1htt h PRO 16 CO 0.60 0.00 0.55 0.78 -0.21 0.00 0.00 178.00 179.72 1htt h GLY 17 N 0.01 1.18 0.85 -0.55 0.00 -2.02 -1.63 103.07 100.91 1htt h GLY 17 Ca 0.34 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 1htt h GLY 17 CO -0.72 0.21 -1.29 -2.21 0.00 0.00 0.00 176.54 172.54 1htt n GLU 18 N -4.51 0.62 0.16 4.80 4.07 -0.77 -3.74 120.64 121.26 1htt n GLU 18 Ca 0.14 0.12 0.01 0.00 -0.06 0.00 0.00 57.16 57.37 1htt n GLU 18 Cb 0.29 -1.78 0.27 0.00 -0.06 0.00 0.00 31.44 30.16 1htt n GLU 18 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 1htt h THR 19 N 0.00 1.26 -0.94 6.31 1.35 -0.36 -2.15 112.91 118.38 1htt h THR 19 Ca -0.07 -1.73 0.06 0.00 -0.55 0.00 0.00 66.41 64.12 1htt h THR 19 Cb 1.22 1.96 -0.06 0.00 -1.73 0.00 0.00 68.15 69.54 1htt h THR 19 CO 0.02 0.48 0.60 0.00 -0.25 0.00 0.00 175.52 176.37 1htt h ALA 20 N 1.51 1.29 -0.30 6.62 0.00 -1.57 0.94 119.26 127.75 1htt h ALA 20 Ca -0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1htt h ALA 20 Cb 0.92 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1htt h ALA 20 CO 0.06 0.39 -0.10 0.82 0.00 0.00 0.00 179.25 180.43 1htt h ILE 21 N 1.11 1.29 -0.72 0.00 2.04 -1.59 -2.98 117.51 116.65 1htt h ILE 21 Ca 0.40 -1.16 0.01 0.00 1.00 0.00 0.00 64.86 65.11 1htt h ILE 21 Cb 0.14 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 1htt h ILE 21 CO -0.16 0.37 0.47 -0.50 0.00 0.00 0.00 178.15 178.33 1htt h TRP 22 N 0.35 0.91 -0.45 1.37 4.06 -0.72 -2.00 115.95 119.48 1htt h TRP 22 Ca 0.07 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 61.01 1htt h TRP 22 Cb 0.60 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 28.43 1htt h TRP 22 CO 0.05 0.58 0.16 1.96 -3.56 0.00 0.00 178.44 177.63 1htt h GLN 23 N 0.98 0.64 -0.32 0.49 4.20 -0.86 -1.04 115.11 119.21 1htt h GLN 23 Ca 0.26 -0.09 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 1htt h GLN 23 Cb -0.11 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 1htt h GLN 23 CO -0.06 0.55 -0.01 0.00 -0.67 0.00 0.00 178.83 178.65 1htt h ARG 24 N 0.64 0.56 -0.50 1.46 2.47 -1.25 -2.25 114.38 115.51 1htt h ARG 24 Ca 0.15 -0.18 -0.12 0.00 -1.26 0.00 0.00 59.98 58.57 1htt h ARG 24 Cb 0.16 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.42 1htt h ARG 24 CO -0.01 0.70 -0.15 0.82 0.56 0.00 0.00 179.97 181.88 1htt h ILE 25 N 0.36 1.27 -0.15 2.04 2.04 -1.15 -2.93 117.51 118.98 1htt h ILE 25 Ca 0.09 -1.31 -0.18 0.00 1.00 0.00 0.00 64.86 64.46 1htt h ILE 25 Cb 0.45 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1htt h ILE 25 CO 0.02 0.45 -0.66 -0.33 0.00 0.00 0.00 178.15 177.63 1htt h GLU 26 N 0.86 0.59 -0.35 2.37 5.08 -1.19 -2.28 114.58 119.66 1htt h GLU 26 Ca 0.13 -0.43 0.07 0.00 -1.00 0.00 0.00 59.36 58.12 1htt h GLU 26 Cb 0.71 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.97 1htt h GLU 26 CO 0.05 1.05 -0.07 0.78 -1.00 0.00 0.00 179.01 179.83 1htt h GLY 27 N 0.98 0.27 0.80 -3.84 0.00 -1.38 -0.16 103.07 99.74 1htt h GLY 27 Ca -0.02 0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.45 1htt h GLY 27 CO 0.13 -0.12 0.24 -0.84 0.00 0.00 0.00 176.54 175.94 1htt h THR 28 N 0.02 0.99 -0.38 4.70 2.02 -1.40 -0.78 112.91 118.07 1htt h THR 28 Ca 0.17 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 1htt h THR 28 Cb 0.25 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1htt h THR 28 CO -0.35 0.09 0.02 -0.07 0.37 0.00 0.00 175.52 175.58 1htt h LEU 29 N 0.48 0.64 -0.87 2.58 3.38 -0.80 -2.04 115.31 118.68 1htt h LEU 29 Ca 0.19 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1htt h LEU 29 Cb 0.08 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1htt h LEU 29 CO -0.12 0.78 0.29 0.11 0.09 0.00 0.00 178.44 179.59 1htt h LYS 30 N 0.48 1.12 0.37 1.13 1.57 -0.93 -2.33 116.57 117.98 1htt h LYS 30 Ca 0.11 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1htt h LYS 30 Cb 0.44 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1htt h LYS 30 CO 0.02 0.91 -0.24 -0.97 -0.57 0.00 0.00 179.45 178.60 1htt h ASN 31 N 1.09 -0.61 -0.32 0.86 -0.73 -0.94 -0.65 115.58 114.28 1htt h ASN 31 Ca 0.25 0.04 0.08 0.00 1.87 0.00 0.00 56.30 58.54 1htt h ASN 31 Cb 0.22 0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.98 1htt h ASN 31 CO -0.02 -0.38 0.23 0.58 -0.37 0.00 0.00 177.43 177.47 1htt h VAL 32 N -0.59 0.88 0.04 2.57 2.07 -1.22 -0.62 116.25 119.38 1htt h VAL 32 Ca -0.04 -0.03 -0.23 0.00 0.82 0.00 0.00 66.70 67.23 1htt h VAL 32 Cb 0.49 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1htt h VAL 32 CO 0.03 0.01 -1.02 -0.07 0.02 0.00 0.00 177.57 176.54 1htt h LEU 33 N 0.08 0.29 -0.62 2.57 3.38 -0.85 -3.06 115.31 117.09 1htt h LEU 33 Ca 0.15 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1htt h LEU 33 Cb 0.50 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1htt h LEU 33 CO -0.01 1.14 0.27 1.23 0.09 0.00 0.00 178.44 181.16 1htt h GLY 34 N 1.92 0.98 2.00 0.83 0.00 0.07 -2.33 103.07 106.53 1htt h GLY 34 Ca -0.07 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1htt h GLY 34 CO 0.16 0.48 0.00 1.48 0.00 0.00 0.00 176.54 178.66 1htt h SER 35 N 0.86 0.00 0.04 0.19 4.64 -1.06 0.68 113.55 118.89 1htt h SER 35 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1htt h SER 35 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1htt h SER 35 CO -0.02 0.00 -0.43 -1.22 -0.87 0.00 0.00 176.83 174.29 1htt n TYR 36 N -2.66 0.00 -0.41 4.77 4.02 -0.93 -5.00 117.16 116.95 1htt n TYR 36 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1htt n TYR 36 Cb 0.11 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 1htt n TYR 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1htt n GLY 37 N 1.40 0.76 3.73 2.72 0.00 0.23 -5.05 105.19 108.99 1htt n GLY 37 Ca 0.10 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 1htt n GLY 37 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1htt s TYR 38 N -2.00 3.69 0.07 1.61 1.51 -0.92 -4.91 117.35 116.39 1htt s TYR 38 Ca 0.00 1.48 -0.05 0.00 -1.01 0.00 0.00 57.07 57.49 1htt s TYR 38 Cb 0.00 -2.89 -0.05 0.00 -0.11 0.00 0.00 41.96 38.91 1htt s TYR 38 CO 0.00 0.17 0.31 -1.12 -1.11 0.00 0.00 175.55 173.80 1htt s SER 39 N 0.36 6.49 0.20 2.29 0.01 -0.55 -4.60 113.70 117.90 1htt s SER 39 Ca 0.41 0.55 -0.30 0.00 1.31 0.00 0.00 55.95 57.93 1htt s SER 39 Cb -0.20 -2.08 -0.08 0.00 0.21 0.00 0.00 66.02 63.87 1htt s SER 39 CO 0.23 0.16 0.93 -0.70 0.41 0.00 0.00 173.24 174.27 1htt s GLU 40 N -2.19 4.79 -0.06 12.44 2.12 -1.26 -1.54 118.70 133.00 1htt s GLU 40 Ca 0.34 1.45 0.03 0.00 0.36 0.00 0.00 54.97 57.15 1htt s GLU 40 Cb -0.13 -3.30 0.01 0.00 0.26 0.00 0.00 34.13 30.97 1htt s GLU 40 CO 0.21 0.45 -0.15 -1.50 -0.54 0.00 0.00 175.26 173.73 1htt s ILE 41 N -0.90 1.35 -0.18 -3.70 2.07 -0.78 -4.90 121.20 114.16 1htt s ILE 41 Ca 0.42 -0.62 -0.05 0.00 -1.41 0.00 0.00 60.65 58.98 1htt s ILE 41 Cb -0.25 -1.20 -0.03 0.00 0.13 0.00 0.00 42.46 41.11 1htt s ILE 41 CO 0.31 0.40 0.01 -0.13 -1.91 0.00 0.00 174.94 173.62 1htt s ARG 42 N 0.43 3.73 0.17 3.50 0.52 -1.26 -4.54 118.95 121.50 1htt s ARG 42 Ca -0.12 -0.47 0.10 0.00 -0.52 0.00 0.00 55.73 54.72 1htt s ARG 42 Cb -0.15 -3.07 -0.04 0.00 0.52 0.00 0.00 34.95 32.21 1htt s ARG 42 CO 0.04 0.15 -0.22 -0.51 0.02 0.00 0.00 175.30 174.78 1htt s LEU 43 N 0.65 2.41 0.61 2.53 1.43 -1.26 -5.13 118.68 119.92 1htt s LEU 43 Ca 0.00 -0.83 -0.19 0.00 -1.03 0.00 0.00 54.13 52.08 1htt s LEU 43 Cb -0.14 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 1htt s LEU 43 CO 0.02 0.07 1.29 -0.81 0.23 0.00 0.00 176.35 177.15 1htt n PRO 44 N 0.44 1.30 0.12 1.29 -0.04 -1.26 -4.96 135.00 131.89 1htt n PRO 44 Ca -0.14 0.50 -0.02 0.00 -0.04 0.00 0.00 63.50 63.79 1htt n PRO 44 Cb 0.56 -2.52 0.09 0.00 -0.04 0.00 0.00 33.50 31.58 1htt n PRO 44 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1htt h ILE 45 N 0.83 1.43 -3.42 0.52 2.04 -1.96 -3.45 117.51 113.51 1htt h ILE 45 Ca -0.51 -2.46 -0.66 0.00 1.00 0.00 0.00 64.86 62.23 1htt h ILE 45 Cb 1.33 2.35 -0.27 0.00 -0.74 0.00 0.00 36.82 39.50 1htt h ILE 45 CO 0.54 0.69 -0.77 -0.69 0.00 0.00 0.00 178.15 177.92 1htt s VAL 46 N -3.29 2.97 0.44 1.67 1.01 -1.26 -1.49 120.40 120.45 1htt s VAL 46 Ca -0.00 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.32 1htt s VAL 46 Cb 0.11 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1htt s VAL 46 CO 0.77 0.54 0.13 -1.61 0.00 0.00 0.00 175.10 174.93 1htt s GLU 47 N 0.21 2.02 0.23 2.72 0.41 -0.54 -4.96 118.70 118.79 1htt s GLU 47 Ca -0.09 -2.26 -0.30 0.00 -0.41 0.00 0.00 54.97 51.92 1htt s GLU 47 Cb -0.15 -0.65 -0.09 0.00 -1.78 0.00 0.00 34.13 31.46 1htt s GLU 47 CO 0.05 -0.53 0.95 -0.65 -0.49 0.00 0.00 175.26 174.60 1htt s GLN 48 N -3.67 4.83 0.43 1.61 -0.21 -1.26 -1.09 119.66 120.29 1htt s GLN 48 Ca 0.20 1.51 0.13 0.00 0.02 0.00 0.00 55.36 57.22 1htt s GLN 48 Cb 0.01 -3.28 1.02 0.00 1.00 0.00 0.00 33.01 31.76 1htt s GLN 48 CO 0.14 0.47 1.99 1.15 -2.12 0.00 0.00 175.29 176.91 1htt h THR 49 N 3.23 0.91 0.00 -0.19 2.02 -1.83 -2.16 112.91 114.89 1htt h THR 49 Ca -0.45 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.57 1htt h THR 49 Cb 1.20 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1htt h THR 49 CO 0.68 0.08 -0.11 1.55 0.37 0.00 0.00 175.52 178.09 1htt h PRO 50 N 0.41 0.00 0.15 6.66 0.13 -1.93 -2.33 132.00 135.09 1htt h PRO 50 Ca 0.26 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.40 1htt h PRO 50 Cb 0.48 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.59 1htt h PRO 50 CO -0.07 0.11 -0.22 1.25 -0.23 0.00 0.00 178.00 178.84 1htt h LEU 51 N 0.00 -0.62 -0.69 1.56 5.85 -1.79 0.42 115.31 120.04 1htt h LEU 51 Ca -0.00 0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 1htt h LEU 51 Cb 0.31 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1htt h LEU 51 CO 0.01 -0.31 -0.25 -0.26 -0.34 0.00 0.00 178.44 177.30 1htt h PHE 52 N -0.43 0.85 -0.48 1.25 0.04 -1.58 0.27 116.94 116.86 1htt h PHE 52 Ca 0.02 -0.20 -0.05 0.00 2.80 0.00 0.00 57.97 60.54 1htt h PHE 52 Cb 0.44 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 1htt h PHE 52 CO -0.19 0.92 0.12 0.87 -0.60 0.00 0.00 178.31 179.42 1htt h LYS 53 N 0.65 0.77 0.09 1.51 1.57 -1.25 -0.84 116.57 119.07 1htt h LYS 53 Ca 0.09 -0.19 -0.25 0.00 -1.87 0.00 0.00 60.65 58.43 1htt h LYS 53 Cb 0.75 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1htt h LYS 53 CO 0.06 0.75 -1.16 -0.09 -0.57 0.00 0.00 179.45 178.44 1htt h ARG 54 N 0.66 0.20 0.00 3.15 2.43 0.46 -2.82 114.38 118.45 1htt h ARG 54 Ca 0.15 -0.33 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 1htt h ARG 54 Cb 0.33 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1htt h ARG 54 CO 0.00 1.15 -0.29 0.00 -1.51 0.00 0.00 179.97 179.33 1htt h ALA 55 N 0.71 0.03 0.00 2.80 0.00 -0.48 -3.39 119.26 118.92 1htt h ALA 55 Ca -0.10 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1htt h ALA 55 Cb 1.90 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.92 1htt h ALA 55 CO 0.18 0.23 -0.15 -0.84 0.00 0.00 0.00 179.25 178.67 1htt h ILE 56 N -1.00 0.00 0.00 0.00 -0.00 -1.32 -3.39 117.51 111.79 1htt h ILE 56 Ca -0.04 -0.92 0.00 0.00 -0.00 0.00 0.00 64.86 63.91 1htt h ILE 56 Cb 0.45 1.84 0.00 0.00 -0.00 0.00 0.00 36.82 39.10 1htt h ILE 56 CO -0.02 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.74 1htt n GLY 57 N 1.15 2.77 0.14 0.16 0.00 -1.06 -1.01 105.19 107.33 1htt n GLY 57 Ca 0.04 -1.52 -0.14 0.00 0.00 0.00 0.00 46.02 44.40 1htt n GLY 57 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1htt h GLU 58 N 0.00 -0.26 -2.78 1.61 4.39 -1.89 -3.30 114.58 112.35 1htt h GLU 58 Ca 0.00 0.02 -0.73 0.00 0.34 0.00 0.00 59.36 58.99 1htt h GLU 58 Cb 0.00 0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 28.61 1htt h GLU 58 CO 0.00 -0.16 2.65 1.33 -1.16 0.00 0.00 179.01 181.67 1htt n VAL 59 N -5.20 4.98 -4.14 3.13 0.24 -1.26 -3.90 118.33 112.18 1htt n VAL 59 Ca -0.09 -4.01 -0.16 0.00 -2.04 0.00 0.00 64.34 58.04 1htt n VAL 59 Cb 0.13 -2.20 -0.12 0.00 -1.47 0.00 0.00 33.84 30.18 1htt n VAL 59 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1htt s THR 60 N -0.38 0.84 0.44 3.34 2.01 -1.24 -5.00 115.64 115.64 1htt s THR 60 Ca 0.55 -1.14 0.12 0.00 0.31 0.00 0.00 61.69 61.53 1htt s THR 60 Cb 0.18 -0.84 0.29 0.00 0.01 0.00 0.00 72.50 72.14 1htt s THR 60 CO -0.08 -0.25 2.04 0.44 -0.69 0.00 0.00 174.62 176.08 1htt h ASP 61 N 4.51 0.35 0.57 3.53 3.32 -1.89 0.64 116.42 127.45 1htt h ASP 61 Ca -0.38 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.64 1htt h ASP 61 Cb 1.19 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.67 1htt h ASP 61 CO 0.41 0.24 -0.27 0.58 -1.72 0.00 0.00 179.24 178.47 1htt h VAL 62 N 0.40 0.41 0.29 -1.35 2.07 -1.93 0.15 116.25 116.29 1htt h VAL 62 Ca 0.18 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1htt h VAL 62 Cb 0.21 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1htt h VAL 62 CO -0.04 0.02 -0.14 0.58 0.02 0.00 0.00 177.57 178.01 1htt h VAL 63 N -0.85 0.66 -0.72 2.57 2.07 -1.66 -1.03 116.25 117.28 1htt h VAL 63 Ca -0.08 -0.75 0.16 0.00 0.82 0.00 0.00 66.70 66.85 1htt h VAL 63 Cb 0.62 1.01 -0.12 0.00 -1.52 0.00 0.00 31.29 31.28 1htt h VAL 63 CO 0.13 0.13 0.05 -0.33 0.02 0.00 0.00 177.57 177.57 1htt h GLU 64 N -0.84 0.14 0.00 1.57 5.08 0.22 -3.38 114.58 117.36 1htt h GLU 64 Ca -0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1htt h GLU 64 Cb 0.52 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1htt h GLU 64 CO 0.06 0.09 0.00 1.63 -1.00 0.00 0.00 179.01 179.80 1htt n LYS 65 N -5.29 0.17 -0.01 2.33 5.02 0.49 -4.97 118.16 115.91 1htt n LYS 65 Ca 0.13 -0.01 0.08 0.00 -2.02 0.00 0.00 58.31 56.49 1htt n LYS 65 Cb 0.45 -0.21 -0.12 0.00 -0.02 0.00 0.00 35.03 35.13 1htt n LYS 65 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1htt n GLU 66 N -0.03 0.54 -2.36 1.97 4.71 -0.42 -4.80 120.64 120.25 1htt n GLU 66 Ca 0.00 -0.14 -0.36 0.00 -0.01 0.00 0.00 57.16 56.65 1htt n GLU 66 Cb 0.09 -1.37 -0.02 0.00 -1.01 0.00 0.00 31.44 29.13 1htt n GLU 66 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 1htt s MET 67 N -3.08 3.83 -0.60 3.49 -1.94 -1.02 -0.03 119.30 119.95 1htt s MET 67 Ca -0.05 1.64 -0.20 0.00 -1.71 0.00 0.00 55.69 55.37 1htt s MET 67 Cb 0.10 -2.37 0.09 0.00 2.01 0.00 0.00 34.83 34.67 1htt s MET 67 CO 0.66 -0.46 0.74 0.71 -0.01 0.00 0.00 175.02 176.67 1htt s TYR 68 N -1.64 2.94 0.14 -0.03 1.51 -1.26 -4.80 117.35 114.20 1htt s TYR 68 Ca 0.63 -0.86 0.05 0.00 -1.01 0.00 0.00 57.07 55.88 1htt s TYR 68 Cb -0.25 -4.03 -0.04 0.00 -0.11 0.00 0.00 41.96 37.53 1htt s TYR 68 CO 0.30 -1.34 0.07 0.99 -1.11 0.00 0.00 175.55 174.46 1htt s THR 69 N 2.92 4.21 0.19 -0.71 2.01 -1.26 -1.62 115.64 121.38 1htt s THR 69 Ca 0.14 -1.11 -0.23 0.00 0.31 0.00 0.00 61.69 60.80 1htt s THR 69 Cb -0.23 -3.10 0.05 0.00 0.01 0.00 0.00 72.50 69.24 1htt s THR 69 CO 0.07 -0.03 0.66 0.72 -0.69 0.00 0.00 174.62 175.35 1htt s PHE 70 N -1.61 -0.40 -0.13 4.92 -0.71 0.15 -4.98 117.98 115.21 1htt s PHE 70 Ca 0.29 0.11 -0.09 0.00 -1.04 0.00 0.00 56.93 56.20 1htt s PHE 70 Cb -0.10 0.61 -0.04 0.00 -1.21 0.00 0.00 43.02 42.27 1htt s PHE 70 CO 0.21 -0.97 0.17 -1.21 -1.34 0.00 0.00 175.22 172.08 1htt s GLU 71 N -3.77 3.74 0.49 1.99 2.02 -1.26 -0.75 118.70 121.16 1htt s GLU 71 Ca 0.05 -0.09 -0.03 0.00 0.02 0.00 0.00 54.97 54.92 1htt s GLU 71 Cb -0.03 -3.27 -0.01 0.00 0.10 0.00 0.00 34.13 30.92 1htt s GLU 71 CO -0.06 0.60 0.76 0.34 0.02 0.00 0.00 175.26 176.92 1htt s ASP 72 N -0.55 5.90 0.00 -0.19 2.15 0.95 -4.94 116.67 119.99 1htt s ASP 72 Ca 0.14 0.57 0.00 0.00 0.43 0.00 0.00 52.55 53.69 1htt s ASP 72 Cb -0.12 -1.79 0.00 0.00 -0.30 0.00 0.00 42.92 40.71 1htt s ASP 72 CO 0.03 -0.75 0.07 0.54 -0.17 0.00 0.00 175.17 174.89 1htt n ARG 73 N -2.25 0.10 -0.35 4.34 1.74 -1.26 -0.53 116.66 118.45 1htt n ARG 73 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1htt n ARG 73 Cb 0.57 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 1htt n ARG 73 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1htt n ASN 74 N 0.59 0.00 0.00 0.55 2.04 -1.26 -5.00 115.26 112.18 1htt n ASN 74 Ca 0.00 -1.44 0.00 0.00 -0.44 0.00 0.00 54.58 52.70 1htt n ASN 74 Cb 0.03 -0.09 0.00 0.00 -2.53 0.00 0.00 39.78 37.20 1htt n ASN 74 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1htt n GLY 75 N 0.00 2.84 3.62 4.83 0.00 0.31 -4.99 105.19 111.80 1htt n GLY 75 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 1htt n GLY 75 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1htt n ASP 76 N 0.43 2.05 -4.72 1.61 9.92 -1.26 -4.57 116.55 120.01 1htt n ASP 76 Ca 0.00 1.12 -0.39 0.00 -0.53 0.00 0.00 54.79 54.99 1htt n ASP 76 Cb 0.00 -1.29 -0.05 0.00 -0.64 0.00 0.00 41.12 39.14 1htt n ASP 76 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1htt s SER 77 N 0.39 6.85 -0.02 -2.24 0.15 -1.26 -0.04 113.70 117.53 1htt s SER 77 Ca 0.77 1.02 0.07 0.00 0.70 0.00 0.00 55.95 58.51 1htt s SER 77 Cb -0.81 -2.35 -0.02 0.00 -1.71 0.00 0.00 66.02 61.13 1htt s SER 77 CO 0.47 -0.06 -0.23 -0.76 1.20 0.00 0.00 173.24 173.86 1htt s LEU 78 N 0.71 2.04 -0.05 3.45 1.02 0.07 -2.85 118.68 123.08 1htt s LEU 78 Ca 0.32 -0.42 0.02 0.00 0.02 0.00 0.00 54.13 54.08 1htt s LEU 78 Cb -0.17 -1.19 0.01 0.00 0.02 0.00 0.00 46.19 44.87 1htt s LEU 78 CO 0.15 0.28 -0.10 -0.89 0.02 0.00 0.00 176.35 175.81 1htt s THR 79 N -0.52 0.93 0.15 5.49 2.01 -0.25 -0.67 115.64 122.77 1htt s THR 79 Ca 0.08 -0.38 -0.31 0.00 0.31 0.00 0.00 61.69 61.39 1htt s THR 79 Cb -0.09 -0.86 -0.08 0.00 0.01 0.00 0.00 72.50 71.48 1htt s THR 79 CO -0.01 0.30 1.39 -0.76 -0.69 0.00 0.00 174.62 174.86 1htt s LEU 80 N 0.57 4.38 0.34 4.42 1.02 -0.64 -1.47 118.68 127.30 1htt s LEU 80 Ca -0.11 2.40 -0.29 0.00 0.02 0.00 0.00 54.13 56.15 1htt s LEU 80 Cb -0.14 -3.59 -0.10 0.00 0.02 0.00 0.00 46.19 42.37 1htt s LEU 80 CO 0.02 -0.65 1.38 0.00 0.02 0.00 0.00 176.35 177.12 1htt s ARG 81 N 0.74 4.27 -0.01 1.70 1.70 -0.55 -4.39 118.95 122.41 1htt s ARG 81 Ca 0.63 2.34 0.22 0.00 -0.47 0.00 0.00 55.73 58.45 1htt s ARG 81 Cb -0.38 -3.04 -0.28 0.00 -0.57 0.00 0.00 34.95 30.68 1htt s ARG 81 CO 0.33 -0.32 0.62 -0.35 -1.08 0.00 0.00 175.30 174.49 1htt n PRO 82 N 0.87 0.51 -3.71 3.89 -0.04 -1.25 -0.33 135.00 134.94 1htt n PRO 82 Ca 0.01 -0.14 -0.10 0.00 -0.04 0.00 0.00 63.50 63.24 1htt n PRO 82 Cb 0.41 -1.53 -0.04 0.00 -0.04 0.00 0.00 33.50 32.29 1htt n PRO 82 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1htt s GLU 83 N -3.40 1.31 -0.01 0.54 4.04 -1.26 -4.50 118.70 115.42 1htt s GLU 83 Ca -0.04 -0.82 0.17 0.00 0.04 0.00 0.00 54.97 54.32 1htt s GLU 83 Cb 0.14 0.51 -0.21 0.00 0.02 0.00 0.00 34.13 34.59 1htt s GLU 83 CO 0.89 -0.55 0.63 0.41 -1.84 0.00 0.00 175.26 174.80 1htt n GLY 84 N -0.32 -0.68 0.13 -3.83 0.00 -1.26 -4.58 105.19 94.65 1htt n GLY 84 Ca -0.11 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 1htt n GLY 84 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1htt h THR 85 N 0.00 1.07 -0.23 2.61 2.02 -1.99 -1.79 112.91 114.59 1htt h THR 85 Ca 0.00 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 67.08 1htt h THR 85 Cb 0.53 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1htt h THR 85 CO 0.00 0.07 0.07 0.00 0.37 0.00 0.00 175.52 176.03 1htt h ALA 86 N 1.10 0.25 -1.00 6.16 0.00 -1.98 -0.74 119.26 123.05 1htt h ALA 86 Ca 0.10 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1htt h ALA 86 Cb -0.04 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1htt h ALA 86 CO -0.02 -0.35 0.66 0.78 0.00 0.00 0.00 179.25 180.32 1htt h GLY 87 N 0.17 1.46 0.91 0.00 0.00 -1.78 -1.16 103.07 102.67 1htt h GLY 87 Ca 0.10 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 1htt h GLY 87 CO -0.12 0.44 -0.39 0.00 0.00 0.00 0.00 176.54 176.47 1htt h VAL 89 N -1.19 0.71 -0.49 0.00 2.07 -0.97 -0.73 116.25 115.65 1htt h VAL 89 Ca -0.11 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1htt h VAL 89 Cb 0.85 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1htt h VAL 89 CO 0.18 0.12 0.21 -0.09 0.02 0.00 0.00 177.57 178.02 1htt h ARG 90 N 0.67 0.72 -0.43 1.57 2.43 -0.91 0.13 114.38 118.56 1htt h ARG 90 Ca 0.51 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 59.49 1htt h ARG 90 Cb 0.76 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 1htt h ARG 90 CO -0.38 0.63 -0.02 0.00 -1.51 0.00 0.00 179.97 178.69 1htt h ALA 91 N 1.06 1.16 0.74 2.80 0.00 -0.47 -0.84 119.26 123.71 1htt h ALA 91 Ca 0.17 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1htt h ALA 91 Cb 0.16 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1htt h ALA 91 CO -0.02 0.54 -0.35 0.78 0.00 0.00 0.00 179.25 180.20 1htt h GLY 92 N 0.95 -1.03 0.96 0.00 0.00 -0.21 -0.25 103.07 103.49 1htt h GLY 92 Ca 0.13 0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.86 1htt h GLY 92 CO 0.02 -0.38 0.46 -2.22 0.00 0.00 0.00 176.54 174.43 1htt h ILE 93 N -1.06 1.16 0.00 2.60 2.04 -1.01 -1.61 117.51 119.64 1htt h ILE 93 Ca -0.10 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.37 1htt h ILE 93 Cb 0.77 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1htt h ILE 93 CO 0.17 0.17 -0.32 -0.08 0.00 0.00 0.00 178.15 178.09 1htt h GLU 94 N 0.93 0.00 -0.01 2.37 4.81 -0.98 -3.10 114.58 118.61 1htt h GLU 94 Ca 0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1htt h GLU 94 Cb -0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1htt h GLU 94 CO -0.07 0.32 -0.62 0.72 -0.73 0.00 0.00 179.01 178.63 1htt n HIS 95 N -4.07 0.00 -0.91 0.92 8.25 -0.12 -4.99 115.22 114.30 1htt n HIS 95 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1htt n HIS 95 Cb 0.37 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.48 1htt n HIS 95 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1htt n GLY 96 N 1.44 0.45 0.16 -1.41 0.00 -0.90 -4.97 105.19 99.96 1htt n GLY 96 Ca 0.08 -0.85 0.12 0.00 0.00 0.00 0.00 46.02 45.37 1htt n GLY 96 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1htt h LEU 97 N 0.00 0.00 0.00 0.99 3.38 -1.60 -3.39 115.31 114.68 1htt h LEU 97 Ca 0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1htt h LEU 97 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1htt h LEU 97 CO 0.00 0.01 -1.77 0.18 0.09 0.00 0.00 178.44 176.95 1htt n LEU 98 N -2.70 0.00 -4.65 1.67 4.77 -1.25 -4.70 117.00 110.15 1htt n LEU 98 Ca 0.04 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.59 1htt n LEU 98 Cb 0.49 0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 1htt n LEU 98 CO 0.34 0.04 1.18 -0.47 -1.33 0.00 0.00 177.39 177.15 1htt s TYR 99 N -3.05 2.55 -1.67 -1.77 5.04 -1.26 -2.75 117.35 114.45 1htt s TYR 99 Ca -0.06 0.76 -0.02 0.00 -2.44 0.00 0.00 57.07 55.31 1htt s TYR 99 Cb 0.10 -3.69 0.00 0.00 0.35 0.00 0.00 41.96 38.72 1htt s TYR 99 CO 0.67 -2.32 0.20 0.09 -1.34 0.00 0.00 175.55 172.85 1htt n ASN 100 N 7.04 -5.88 -4.28 4.32 5.03 -1.26 -4.97 115.26 115.25 1htt n ASN 100 Ca 0.15 -0.11 -0.15 0.00 0.87 0.00 0.00 54.58 55.35 1htt n ASN 100 Cb 0.45 -4.83 -0.10 0.00 -1.02 0.00 0.00 39.78 34.27 1htt n ASN 100 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1htt s GLN 101 N -5.24 1.26 -0.04 3.52 -0.21 -1.11 -5.15 119.66 112.69 1htt s GLN 101 Ca 0.10 -1.65 0.05 0.00 0.02 0.00 0.00 55.36 53.89 1htt s GLN 101 Cb -0.04 -0.25 -0.01 0.00 1.00 0.00 0.00 33.01 33.70 1htt s GLN 101 CO 0.12 -0.21 -0.20 -2.00 -2.12 0.00 0.00 175.29 170.88 1htt s GLU 102 N -3.98 1.89 -0.04 2.91 2.12 -1.26 -4.17 118.70 116.18 1htt s GLU 102 Ca 0.31 -0.70 -0.02 0.00 0.36 0.00 0.00 54.97 54.92 1htt s GLU 102 Cb 0.07 -1.68 0.02 0.00 0.26 0.00 0.00 34.13 32.80 1htt s GLU 102 CO 0.09 0.32 0.08 -0.65 -0.54 0.00 0.00 175.26 174.57 1htt s GLN 103 N -0.15 0.06 -0.36 4.30 -1.52 -0.55 -4.98 119.66 116.47 1htt s GLN 103 Ca -0.01 0.19 0.03 0.00 -1.95 0.00 0.00 55.36 53.62 1htt s GLN 103 Cb -0.11 -0.07 0.11 0.00 -0.22 0.00 0.00 33.01 32.72 1htt s GLN 103 CO 0.02 -0.08 0.11 1.03 -0.25 0.00 0.00 175.29 176.11 1htt s ARG 104 N 0.53 1.31 0.34 2.91 0.52 -1.26 -1.08 118.95 122.23 1htt s ARG 104 Ca -0.04 -1.76 0.10 0.00 -0.52 0.00 0.00 55.73 53.50 1htt s ARG 104 Cb -0.06 -2.81 -0.06 0.00 0.52 0.00 0.00 34.95 32.54 1htt s ARG 104 CO -0.02 -0.99 -0.10 -0.51 0.02 0.00 0.00 175.30 173.70 1htt s LEU 105 N 0.90 2.74 0.11 2.53 2.01 0.31 -1.48 118.68 125.80 1htt s LEU 105 Ca 0.12 -1.17 -0.05 0.00 0.01 0.00 0.00 54.13 53.05 1htt s LEU 105 Cb -0.20 -1.04 -0.02 0.00 0.01 0.00 0.00 46.19 44.94 1htt s LEU 105 CO -0.11 -0.18 0.12 -1.66 1.01 0.00 0.00 176.35 175.53 1htt s TRP 106 N -2.59 0.53 0.03 0.29 1.48 -0.59 -1.51 118.94 116.59 1htt s TRP 106 Ca 0.32 -0.95 -0.14 0.00 -1.06 0.00 0.00 56.10 54.27 1htt s TRP 106 Cb 0.02 -0.27 0.02 0.00 -1.16 0.00 0.00 33.47 32.08 1htt s TRP 106 CO 0.17 -0.55 0.31 1.52 -4.06 0.00 0.00 176.95 174.34 1htt s TYR 107 N -3.97 -0.13 -0.03 1.66 -0.85 0.14 -1.86 117.35 112.32 1htt s TYR 107 Ca 0.15 0.04 -0.01 0.00 -0.52 0.00 0.00 57.07 56.74 1htt s TYR 107 Cb 0.06 0.10 0.03 0.00 0.38 0.00 0.00 41.96 42.53 1htt s TYR 107 CO -0.04 -0.48 0.06 -1.50 -1.52 0.00 0.00 175.55 172.07 1htt s ILE 108 N -2.29 -0.06 0.00 -3.49 2.07 -1.26 -1.80 121.20 114.38 1htt s ILE 108 Ca -0.07 0.20 0.00 0.00 -1.41 0.00 0.00 60.65 59.38 1htt s ILE 108 Cb -0.02 -0.12 0.00 0.00 0.13 0.00 0.00 42.46 42.45 1htt s ILE 108 CO -0.02 0.08 0.00 0.61 -1.91 0.00 0.00 174.94 173.71 1htt n GLY 109 N 4.16 -0.82 3.78 1.50 0.00 -0.78 -5.01 105.19 108.02 1htt n GLY 109 Ca -0.27 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.26 1htt n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1htt s PRO 110 N -2.00 4.63 0.25 1.61 0.05 -1.26 -1.31 135.00 136.97 1htt s PRO 110 Ca 0.00 1.35 0.10 0.00 0.05 0.00 0.00 61.00 62.50 1htt s PRO 110 Cb 0.00 -2.89 -0.05 0.00 0.05 0.00 0.00 34.50 31.61 1htt s PRO 110 CO 0.00 0.32 -0.16 -1.64 0.05 0.00 0.00 177.00 175.57 1htt s MET 111 N -1.90 1.54 -0.06 4.56 -1.94 0.82 -4.91 119.30 117.41 1htt s MET 111 Ca 0.48 -1.71 0.02 0.00 -1.71 0.00 0.00 55.69 52.78 1htt s MET 111 Cb -0.20 -1.46 0.01 0.00 2.01 0.00 0.00 34.83 35.20 1htt s MET 111 CO 0.25 0.24 -0.11 -0.06 -0.01 0.00 0.00 175.02 175.33 1htt s PHE 112 N -2.74 1.37 -0.09 -0.03 0.40 0.55 -1.86 117.98 115.58 1htt s PHE 112 Ca 0.27 -0.50 -0.04 0.00 -0.60 0.00 0.00 56.93 56.06 1htt s PHE 112 Cb -0.02 -1.02 0.05 0.00 0.51 0.00 0.00 43.02 42.53 1htt s PHE 112 CO 0.12 -0.27 0.21 1.03 0.70 0.00 0.00 175.22 177.00 1htt s ARG 113 N 0.71 0.15 -1.02 0.44 0.52 0.09 -3.96 118.95 115.89 1htt s ARG 113 Ca -0.14 0.50 -0.23 0.00 -0.52 0.00 0.00 55.73 55.34 1htt s ARG 113 Cb -0.16 -0.14 0.05 0.00 0.52 0.00 0.00 34.95 35.22 1htt s ARG 113 CO 0.03 -0.18 1.45 -1.58 0.02 0.00 0.00 175.30 175.04 1htt s HIS 114 N 1.40 2.53 0.20 -0.53 5.65 0.96 -4.25 115.29 121.24 1htt s HIS 114 Ca -0.08 -0.84 -0.03 0.00 0.25 0.00 0.00 55.06 54.36 1htt s HIS 114 Cb -0.11 -4.70 -0.03 0.00 -1.18 0.00 0.00 32.58 26.56 1htt s HIS 114 CO -0.08 -1.94 0.19 -1.83 -0.65 0.00 0.00 174.74 170.43 1htt s GLU 115 N 4.98 1.23 -0.20 2.88 -1.05 -1.26 -4.55 118.70 120.72 1htt s GLU 115 Ca 0.46 -1.52 -0.29 0.00 -0.15 0.00 0.00 54.97 53.47 1htt s GLU 115 Cb -0.00 0.31 -0.02 0.00 -0.44 0.00 0.00 34.13 33.98 1htt s GLU 115 CO -0.10 -0.42 1.43 0.50 0.95 0.00 0.00 175.26 177.62 1htt s ARG 116 N -4.11 4.01 0.00 -4.83 3.00 -1.26 -4.75 118.95 111.01 1htt s ARG 116 Ca 0.33 1.62 -0.38 0.00 -1.00 0.00 0.00 55.73 56.30 1htt s ARG 116 Cb 0.06 -3.91 -0.17 0.00 0.00 0.00 0.00 34.95 30.93 1htt s ARG 116 CO 0.10 -1.01 1.39 -2.30 0.00 0.00 0.00 175.30 173.47 1htt n PRO 117 N 7.18 1.02 -1.23 5.12 -0.02 -1.26 -4.88 135.00 140.93 1htt n PRO 117 Ca 0.16 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1htt n PRO 117 Cb 0.45 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1htt n PRO 117 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1htt n GLN 118 N 2.93 0.05 0.10 -0.52 1.13 -0.75 -4.99 117.38 115.34 1htt n GLN 118 Ca 0.20 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 55.09 1htt n GLN 118 Cb 0.16 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.37 1htt n GLN 118 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1htt h LYS 119 N 0.00 0.31 0.00 -1.09 3.64 -2.04 -3.30 116.57 114.08 1htt h LYS 119 Ca 0.00 -0.53 -0.21 0.00 -1.27 0.00 0.00 60.65 58.65 1htt h LYS 119 Cb 0.00 0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1htt h LYS 119 CO 0.00 1.23 -1.22 0.78 -2.27 0.00 0.00 179.45 177.97 1htt h GLY 120 N 1.39 0.00 -5.93 5.01 0.00 -1.98 -3.45 103.07 98.11 1htt h GLY 120 Ca -0.19 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.51 1htt h GLY 120 CO 0.20 0.00 -0.59 0.50 0.00 0.00 0.00 176.54 176.66 1htt s ARG 121 N -2.77 3.78 0.33 4.80 0.52 -1.24 -4.66 118.95 119.71 1htt s ARG 121 Ca -0.01 -0.37 0.03 0.00 -0.52 0.00 0.00 55.73 54.86 1htt s ARG 121 Cb 0.09 -3.10 -0.05 0.00 0.52 0.00 0.00 34.95 32.40 1htt s ARG 121 CO 0.81 0.35 0.09 0.71 0.02 0.00 0.00 175.30 177.27 1htt s TYR 122 N 0.14 1.82 -0.13 -0.53 2.02 -1.26 -1.80 117.35 117.61 1htt s TYR 122 Ca 0.03 -1.10 0.18 0.00 -0.37 0.00 0.00 57.07 55.81 1htt s TYR 122 Cb -0.13 -1.16 -0.23 0.00 -0.40 0.00 0.00 41.96 40.05 1htt s TYR 122 CO 0.01 -0.16 0.43 0.54 -1.57 0.00 0.00 175.55 174.80 1htt n ARG 123 N -0.69 0.66 -4.09 -0.62 1.74 0.44 -4.60 116.66 109.50 1htt n ARG 123 Ca -0.03 0.06 -0.32 0.00 -0.77 0.00 0.00 57.85 56.79 1htt n ARG 123 Cb 0.66 -1.64 -0.15 0.00 -1.02 0.00 0.00 32.46 30.31 1htt n ARG 123 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1htt s GLN 124 N -2.80 2.52 0.36 5.56 0.74 -1.18 -0.73 119.66 124.12 1htt s GLN 124 Ca -0.07 -1.14 0.03 0.00 0.05 0.00 0.00 55.36 54.24 1htt s GLN 124 Cb 0.08 -2.76 -0.04 0.00 1.10 0.00 0.00 33.01 31.39 1htt s GLN 124 CO 0.84 -0.43 0.09 -0.59 -0.55 0.00 0.00 175.29 174.65 1htt s PHE 125 N 1.18 1.84 -0.02 1.67 -0.71 -0.78 -4.61 117.98 116.55 1htt s PHE 125 Ca -0.03 -1.13 0.03 0.00 -1.04 0.00 0.00 56.93 54.76 1htt s PHE 125 Cb -0.17 -1.19 -0.00 0.00 -1.21 0.00 0.00 43.02 40.44 1htt s PHE 125 CO -0.08 -0.16 -0.11 -1.01 -1.34 0.00 0.00 175.22 172.52 1htt s HIS 126 N -3.30 1.05 0.09 3.49 3.76 -1.26 -0.13 115.29 118.99 1htt s HIS 126 Ca 0.30 -0.23 0.09 0.00 -0.15 0.00 0.00 55.06 55.07 1htt s HIS 126 Cb 0.06 -0.71 -0.03 0.00 1.11 0.00 0.00 32.58 33.01 1htt s HIS 126 CO 0.15 -0.06 -0.23 -0.65 -0.85 0.00 0.00 174.74 173.10 1htt s GLN 127 N -0.06 1.32 -0.09 1.40 -0.21 -0.42 -1.76 119.66 119.83 1htt s GLN 127 Ca 0.01 -1.14 -0.01 0.00 0.02 0.00 0.00 55.36 54.24 1htt s GLN 127 Cb -0.07 -1.58 -0.03 0.00 1.00 0.00 0.00 33.01 32.33 1htt s GLN 127 CO 0.00 0.38 -0.05 -1.17 -2.12 0.00 0.00 175.29 172.34 1htt s LEU 128 N -1.67 3.26 0.03 2.90 1.98 -0.80 -1.86 118.68 122.52 1htt s LEU 128 Ca 0.09 -0.02 -0.20 0.00 -2.89 0.00 0.00 54.13 51.11 1htt s LEU 128 Cb -0.10 -1.74 0.04 0.00 0.66 0.00 0.00 46.19 45.06 1htt s LEU 128 CO 0.04 0.32 0.45 -0.83 -1.89 0.00 0.00 176.35 174.43 1htt s GLY 129 N -0.52 -0.32 0.03 7.98 0.00 -0.74 0.06 107.32 113.80 1htt s GLY 129 Ca 0.08 0.46 0.08 0.00 0.00 0.00 0.00 44.72 45.34 1htt s GLY 129 CO 0.02 0.18 -0.23 0.00 0.00 0.00 0.00 173.10 173.07 1htt s GLU 131 N -1.06 0.15 -0.17 0.00 0.41 -0.57 -1.28 118.70 116.20 1htt s GLU 131 Ca 0.09 0.08 0.01 0.00 -0.41 0.00 0.00 54.97 54.74 1htt s GLU 131 Cb -0.09 -0.32 0.03 0.00 -1.78 0.00 0.00 34.13 31.96 1htt s GLU 131 CO 0.01 -0.10 -0.13 0.08 -0.49 0.00 0.00 175.26 174.62 1htt s VAL 132 N 0.78 1.63 -0.07 2.63 1.01 -0.27 -0.53 120.40 125.58 1htt s VAL 132 Ca -0.07 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1htt s VAL 132 Cb -0.10 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1htt s VAL 132 CO -0.02 0.38 -0.09 -0.36 0.00 0.00 0.00 175.10 175.01 1htt s PHE 133 N 1.45 2.87 0.00 5.22 0.08 -0.24 -2.09 117.98 125.27 1htt s PHE 133 Ca 0.03 -0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.04 1htt s PHE 133 Cb -0.14 -1.70 0.00 0.00 -0.57 0.00 0.00 43.02 40.62 1htt s PHE 133 CO -0.10 0.28 0.00 0.41 -0.10 0.00 0.00 175.22 175.71 1htt n GLY 134 N 2.29 1.41 3.45 4.36 0.00 0.16 -1.48 105.19 115.39 1htt n GLY 134 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 1htt n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1htt s LEU 135 N 0.00 2.61 -0.13 0.99 1.43 -1.26 -4.80 118.68 117.52 1htt s LEU 135 Ca 0.00 -0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 52.77 1htt s LEU 135 Cb 0.00 -1.52 -0.06 0.00 0.03 0.00 0.00 46.19 44.65 1htt s LEU 135 CO 0.00 0.34 -0.19 1.67 0.23 0.00 0.00 176.35 178.40 1htt n GLN 136 N 2.28 0.30 -0.97 1.70 7.27 -1.26 -4.36 117.38 122.34 1htt n GLN 136 Ca -0.17 0.13 -0.29 0.00 0.07 0.00 0.00 57.00 56.74 1htt n GLN 136 Cb 0.52 -1.01 0.23 0.00 2.41 0.00 0.00 30.24 32.39 1htt n GLN 136 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1htt s GLY 137 N -5.16 1.55 0.42 1.69 0.00 -1.26 -4.91 107.32 99.65 1htt s GLY 137 Ca -0.19 -0.66 0.29 0.00 0.00 0.00 0.00 44.72 44.16 1htt s GLY 137 CO 0.25 0.14 1.88 -0.56 0.00 0.00 0.00 173.10 174.81 1htt h PRO 138 N -2.47 0.00 -0.50 2.90 0.13 -1.96 -3.26 132.00 126.83 1htt h PRO 138 Ca -0.50 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 1htt h PRO 138 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 1htt h PRO 138 CO 0.44 0.00 0.14 0.38 -0.23 0.00 0.00 178.00 178.72 1htt h ASP 139 N 0.00 0.70 0.55 1.44 2.03 -1.94 -1.12 116.42 118.08 1htt h ASP 139 Ca 0.00 -0.11 -0.14 0.00 -0.73 0.00 0.00 57.03 56.05 1htt h ASP 139 Cb 0.25 -0.18 -0.02 0.00 -0.83 0.00 0.00 39.33 38.56 1htt h ASP 139 CO 0.00 0.68 -0.64 -0.29 -1.03 0.00 0.00 179.24 177.96 1htt h ILE 140 N 0.74 1.44 -0.54 4.15 6.09 -1.93 -0.95 117.51 126.50 1htt h ILE 140 Ca 0.17 -2.14 -0.05 0.00 -1.37 0.00 0.00 64.86 61.47 1htt h ILE 140 Cb 0.25 2.13 -0.02 0.00 0.47 0.00 0.00 36.82 39.65 1htt h ILE 140 CO -0.01 0.62 0.14 0.44 -3.07 0.00 0.00 178.15 176.27 1htt h ASP 141 N 0.06 0.81 -0.23 2.19 5.19 -1.58 -1.59 116.42 121.28 1htt h ASP 141 Ca -0.01 -0.23 -0.09 0.00 -0.62 0.00 0.00 57.03 56.09 1htt h ASP 141 Cb 1.14 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.42 1htt h ASP 141 CO 0.09 0.82 -0.15 0.00 -3.12 0.00 0.00 179.24 176.88 1htt h ALA 142 N 1.02 1.08 -0.81 3.45 0.00 -0.89 -2.11 119.26 120.99 1htt h ALA 142 Ca 0.17 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1htt h ALA 142 Cb 0.32 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1htt h ALA 142 CO -0.00 0.57 0.34 1.49 0.00 0.00 0.00 179.25 181.65 1htt h GLU 143 N 0.58 1.20 -0.57 0.00 4.81 -0.35 -0.64 114.58 119.61 1htt h GLU 143 Ca 0.10 -0.21 -0.10 0.00 -0.13 0.00 0.00 59.36 59.02 1htt h GLU 143 Cb 0.58 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1htt h GLU 143 CO 0.04 0.96 -0.05 -0.07 -0.73 0.00 0.00 179.01 179.16 1htt h LEU 144 N 1.18 1.02 -0.71 1.64 3.38 -1.04 -0.21 115.31 120.55 1htt h LEU 144 Ca 0.27 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1htt h LEU 144 Cb 0.19 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1htt h LEU 144 CO -0.03 1.10 -0.27 0.40 0.09 0.00 0.00 178.44 179.73 1htt h ILE 145 N 0.93 1.28 -0.63 1.22 2.04 -1.23 -2.35 117.51 118.76 1htt h ILE 145 Ca 0.16 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.62 1htt h ILE 145 Cb 0.61 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1htt h ILE 145 CO 0.04 0.45 0.32 0.24 0.00 0.00 0.00 178.15 179.20 1htt h MET 146 N 0.60 0.88 -0.53 2.37 2.86 -0.77 -2.20 114.93 118.14 1htt h MET 146 Ca 0.08 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1htt h MET 146 Cb 0.77 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1htt h MET 146 CO 0.06 0.67 0.20 1.25 1.06 0.00 0.00 176.91 180.15 1htt h LEU 147 N 0.89 0.74 -0.69 1.22 6.46 -0.72 -1.75 115.31 121.46 1htt h LEU 147 Ca 0.22 -0.18 -0.14 0.00 -0.12 0.00 0.00 57.88 57.67 1htt h LEU 147 Cb 0.06 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.79 1htt h LEU 147 CO -0.03 0.71 -0.49 0.71 -0.62 0.00 0.00 178.44 178.72 1htt h THR 148 N 0.71 1.33 -0.24 1.05 1.35 -1.19 -2.38 112.91 113.54 1htt h THR 148 Ca 0.17 -1.71 -0.05 0.00 -0.55 0.00 0.00 66.41 64.28 1htt h THR 148 Cb 0.22 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.36 1htt h THR 148 CO -0.01 0.52 -0.06 0.00 -0.25 0.00 0.00 175.52 175.72 1htt h ALA 149 N 1.14 1.45 -0.47 6.62 0.00 -1.15 -1.22 119.26 125.63 1htt h ALA 149 Ca 0.02 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1htt h ALA 149 Cb 0.98 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1htt h ALA 149 CO 0.09 0.39 -0.19 -0.09 0.00 0.00 0.00 179.25 179.44 1htt h ARG 150 N 0.36 0.97 -0.67 0.00 2.43 -0.98 -2.31 114.38 114.18 1htt h ARG 150 Ca 0.08 -0.40 0.05 0.00 -0.81 0.00 0.00 59.98 58.89 1htt h ARG 150 Cb 0.34 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 1htt h ARG 150 CO 0.01 1.07 0.38 -1.49 -1.51 0.00 0.00 179.97 178.44 1htt h TRP 151 N 0.82 0.71 -0.44 2.20 6.55 -0.78 0.56 115.95 125.56 1htt h TRP 151 Ca 0.11 0.02 -0.07 0.00 0.95 0.00 0.00 58.89 59.91 1htt h TRP 151 Cb 0.76 -0.22 -0.02 0.00 -0.86 0.00 0.00 29.16 28.82 1htt h TRP 151 CO 0.05 0.36 0.02 -1.49 -1.05 0.00 0.00 178.44 176.33 1htt h TRP 152 N 0.72 0.83 -0.53 0.49 -0.00 -1.03 -0.38 115.95 116.05 1htt h TRP 152 Ca 0.29 -0.14 0.03 0.00 -0.00 0.00 0.00 58.89 59.07 1htt h TRP 152 Cb 0.14 -0.22 -0.04 0.00 -0.00 0.00 0.00 29.16 29.04 1htt h TRP 152 CO -0.07 0.81 0.30 0.00 -0.00 0.00 0.00 178.44 179.48 1htt h ARG 153 N 0.61 0.58 -0.11 0.49 3.08 -0.99 0.32 114.38 118.35 1htt h ARG 153 Ca 0.13 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 1htt h ARG 153 Cb 0.47 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1htt h ARG 153 CO 0.02 0.38 -0.19 0.00 -1.07 0.00 0.00 179.97 179.11 1htt h ALA 154 N 1.25 1.47 -0.02 0.04 0.00 -0.25 -2.23 119.26 119.52 1htt h ALA 154 Ca 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1htt h ALA 154 Cb 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1htt h ALA 154 CO -0.12 0.38 -0.09 1.28 0.00 0.00 0.00 179.25 180.70 1htt n LEU 155 N -4.23 2.25 -0.61 0.00 4.77 -0.21 -4.98 117.00 113.98 1htt n LEU 155 Ca -0.01 -0.75 -0.07 0.00 -0.03 0.00 0.00 56.01 55.14 1htt n LEU 155 Cb 0.30 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1htt n LEU 155 CO 0.38 0.38 -0.07 0.61 -1.33 0.00 0.00 177.39 177.36 1htt n GLY 156 N 1.31 0.73 0.54 -0.72 0.00 -0.02 -4.90 105.19 102.13 1htt n GLY 156 Ca 0.15 -0.69 0.05 0.00 0.00 0.00 0.00 46.02 45.52 1htt n GLY 156 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1htt n ILE 157 N -3.08 1.05 -0.27 -0.61 -5.35 -0.49 -4.73 119.36 105.89 1htt n ILE 157 Ca -0.07 -1.04 0.08 0.00 -0.27 0.00 0.00 62.75 61.44 1htt n ILE 157 Cb 0.31 0.47 0.21 0.00 -1.74 0.00 0.00 39.64 38.89 1htt n ILE 157 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1htt h SER 158 N 1.68 -0.15 -0.21 7.28 4.64 -1.87 -0.99 113.55 123.93 1htt h SER 158 Ca 0.00 0.18 -0.13 0.00 -0.47 0.00 0.00 61.79 61.37 1htt h SER 158 Cb 0.72 0.28 -0.06 0.00 -0.31 0.00 0.00 62.40 63.04 1htt h SER 158 CO 0.01 -0.14 0.17 -0.62 -0.87 0.00 0.00 176.83 175.38 1htt n GLU 159 N -5.26 1.32 -0.04 4.77 -0.58 -1.26 -3.43 120.64 116.16 1htt n GLU 159 Ca 0.16 -0.67 0.00 0.00 -0.42 0.00 0.00 57.16 56.23 1htt n GLU 159 Cb 0.54 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 1htt n GLU 159 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1htt n HIS 160 N 0.69 0.00 -4.17 -0.32 8.25 -0.38 -5.09 115.22 114.21 1htt n HIS 160 Ca 0.13 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.41 1htt n HIS 160 Cb 0.61 0.09 -0.15 0.00 1.12 0.00 0.00 29.99 31.66 1htt n HIS 160 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1htt s VAL 161 N 0.00 0.47 0.00 1.59 -7.23 -1.22 -4.31 120.40 109.70 1htt s VAL 161 Ca 0.00 -0.17 0.04 0.00 -1.81 0.00 0.00 61.98 60.04 1htt s VAL 161 Cb 0.00 -0.45 -0.03 0.00 0.56 0.00 0.00 36.38 36.46 1htt s VAL 161 CO 0.00 0.17 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.95 1htt s THR 162 N 0.36 3.25 -0.22 5.32 2.01 0.08 -4.92 115.64 121.53 1htt s THR 162 Ca -0.04 -0.88 -0.10 0.00 0.31 0.00 0.00 61.69 60.98 1htt s THR 162 Cb -0.08 -2.37 -0.05 0.00 0.01 0.00 0.00 72.50 70.01 1htt s THR 162 CO -0.00 0.43 0.13 -0.22 -0.69 0.00 0.00 174.62 174.26 1htt s LEU 163 N -1.26 4.04 -0.04 4.42 2.96 -1.26 -1.16 118.68 126.39 1htt s LEU 163 Ca 0.15 0.12 0.04 0.00 -0.22 0.00 0.00 54.13 54.22 1htt s LEU 163 Cb -0.11 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 1htt s LEU 163 CO 0.05 0.12 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.45 1htt s GLU 164 N 0.74 2.48 0.06 1.98 2.02 -0.47 -0.87 118.70 124.65 1htt s GLU 164 Ca 0.07 -0.71 -0.03 0.00 0.02 0.00 0.00 54.97 54.31 1htt s GLU 164 Cb -0.13 -2.39 -0.03 0.00 0.10 0.00 0.00 34.13 31.68 1htt s GLU 164 CO 0.02 0.62 0.02 -0.51 0.02 0.00 0.00 175.26 175.42 1htt s LEU 165 N -0.88 2.25 -0.08 1.80 1.02 0.78 -2.15 118.68 121.41 1htt s LEU 165 Ca 0.12 -0.92 -0.32 0.00 0.02 0.00 0.00 54.13 53.03 1htt s LEU 165 Cb -0.11 0.39 0.14 0.00 0.02 0.00 0.00 46.19 46.63 1htt s LEU 165 CO 0.02 -0.63 1.34 0.54 0.02 0.00 0.00 176.35 177.64 1htt s ASN 166 N -2.91 -0.04 -0.04 2.29 6.03 -1.00 -0.62 114.94 118.64 1htt s ASN 166 Ca 0.07 -0.07 0.03 0.00 -1.03 0.00 0.00 52.86 51.86 1htt s ASN 166 Cb 0.07 0.10 -0.03 0.00 -3.03 0.00 0.00 41.25 38.36 1htt s ASN 166 CO -0.10 -0.18 -0.11 -0.55 -2.03 0.00 0.00 177.10 174.13 1htt s SER 167 N -2.82 4.26 0.00 3.54 0.15 -1.26 -2.01 113.70 115.57 1htt s SER 167 Ca 0.14 -0.16 0.16 0.00 0.70 0.00 0.00 55.95 56.79 1htt s SER 167 Cb 0.05 -0.95 0.38 0.00 -1.71 0.00 0.00 66.02 63.79 1htt s SER 167 CO -0.05 0.34 1.30 -0.38 1.20 0.00 0.00 173.24 175.64 1htt n ILE 168 N 2.12 0.75 -4.59 6.45 5.41 -0.90 -4.99 119.36 123.60 1htt n ILE 168 Ca -0.17 -0.88 0.00 0.00 1.00 0.00 0.00 62.75 62.70 1htt n ILE 168 Cb 0.52 0.71 0.00 0.00 -0.71 0.00 0.00 39.64 40.17 1htt n ILE 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1htt n GLY 169 N 1.01 1.13 1.76 7.39 0.00 -1.17 -4.61 105.19 110.70 1htt n GLY 169 Ca 0.16 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 1htt n GLY 169 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1htt n SER 170 N 0.30 2.16 0.21 1.61 3.41 -1.26 -3.64 113.62 116.41 1htt n SER 170 Ca 0.00 -1.96 -0.15 0.00 -0.26 0.00 0.00 58.87 56.50 1htt n SER 170 Cb 0.00 0.06 -0.08 0.00 -0.26 0.00 0.00 64.21 63.93 1htt n SER 170 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1htt h LEU 171 N 0.00 -0.40 -0.51 1.04 -0.00 -1.97 -2.38 115.31 111.10 1htt h LEU 171 Ca -0.18 -0.01 0.10 0.00 -0.00 0.00 0.00 57.88 57.80 1htt h LEU 171 Cb 0.60 0.10 -0.10 0.00 -0.00 0.00 0.00 40.66 41.26 1htt h LEU 171 CO 0.29 -0.26 -0.14 -0.33 -0.00 0.00 0.00 178.44 178.01 1htt h GLU 172 N -0.50 -0.01 -0.79 1.13 3.07 -1.97 0.30 114.58 115.82 1htt h GLU 172 Ca -0.05 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.79 1htt h GLU 172 Cb 0.38 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.26 1htt h GLU 172 CO 0.08 -0.01 0.39 0.00 -1.40 0.00 0.00 179.01 178.07 1htt h ALA 173 N 1.49 1.01 -0.09 3.43 0.00 -1.92 0.05 119.26 123.23 1htt h ALA 173 Ca 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1htt h ALA 173 Cb 0.38 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1htt h ALA 173 CO -0.53 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1htt h ARG 174 N 1.11 0.16 0.00 0.00 3.08 -0.62 -0.80 114.38 117.31 1htt h ARG 174 Ca 0.27 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 1htt h ARG 174 Cb 0.10 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1htt h ARG 174 CO -0.04 0.41 -0.01 0.00 -1.07 0.00 0.00 179.97 179.27 1htt h ALA 175 N 0.74 1.24 0.19 0.04 0.00 -0.10 0.46 119.26 121.84 1htt h ALA 175 Ca 0.03 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.62 1htt h ALA 175 Cb 0.34 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.15 1htt h ALA 175 CO 0.00 0.01 -1.37 -0.91 0.00 0.00 0.00 179.25 176.99 1htt h ASN 176 N 0.00 0.67 0.00 0.00 2.35 -0.51 -3.50 115.58 114.59 1htt h ASN 176 Ca -0.00 -0.71 0.00 0.00 -0.55 0.00 0.00 56.30 55.04 1htt h ASN 176 Cb 0.03 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.18 1htt h ASN 176 CO 0.00 1.55 0.00 0.00 -1.65 0.00 0.00 177.43 177.33 1htt n TYR 177 N -3.64 0.00 -4.56 1.19 9.36 0.15 -5.11 117.16 114.55 1htt n TYR 177 Ca -0.13 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.76 1htt n TYR 177 Cb 1.06 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 39.64 1htt n TYR 177 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1htt s LEU 229 N 0.00 3.03 0.60 2.98 1.02 -1.26 -5.06 118.68 119.99 1htt s LEU 229 Ca 0.00 -0.21 -0.17 0.00 0.02 0.00 0.00 54.13 53.77 1htt s LEU 229 Cb 0.00 -1.71 -0.03 0.00 0.02 0.00 0.00 46.19 44.47 1htt s LEU 229 CO 0.00 0.17 1.13 1.51 0.02 0.00 0.00 176.35 179.18 1htt s ASP 230 N 0.33 5.39 0.30 2.29 -4.77 -1.26 -4.79 116.67 114.17 1htt s ASP 230 Ca -0.07 2.12 0.06 0.00 -3.30 0.00 0.00 52.55 51.36 1htt s ASP 230 Cb -0.15 -2.57 0.75 0.00 -1.09 0.00 0.00 42.92 39.86 1htt s ASP 230 CO 0.04 -1.44 1.78 -0.08 0.70 0.00 0.00 175.17 176.17 1htt h GLU 231 N 0.65 0.74 -0.34 2.11 4.57 -2.05 0.11 114.58 120.36 1htt h GLU 231 Ca -0.49 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 57.59 1htt h GLU 231 Cb 1.26 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.66 1htt h GLU 231 CO 0.55 0.49 -0.06 0.93 -1.18 0.00 0.00 179.01 179.74 1htt h GLU 232 N 0.76 0.55 -0.00 1.92 5.08 -2.00 0.55 114.58 121.44 1htt h GLU 232 Ca 0.58 -0.14 -0.17 0.00 -1.00 0.00 0.00 59.36 58.63 1htt h GLU 232 Cb 0.91 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1htt h GLU 232 CO -0.38 0.62 -0.81 0.77 -1.00 0.00 0.00 179.01 178.20 1htt h SER 233 N 0.52 0.07 0.09 1.42 0.02 -1.23 -1.96 113.55 112.47 1htt h SER 233 Ca 0.10 -0.06 -0.17 0.00 -0.84 0.00 0.00 61.79 60.82 1htt h SER 233 Cb 0.42 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 1htt h SER 233 CO 0.02 0.85 -0.63 0.03 -1.14 0.00 0.00 176.83 175.96 1htt h ARG 234 N 0.03 0.53 0.16 3.45 3.08 -0.15 -0.58 114.38 120.90 1htt h ARG 234 Ca -0.02 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.65 1htt h ARG 234 Cb 1.43 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.54 1htt h ARG 234 CO 0.11 0.99 -0.08 0.93 -1.07 0.00 0.00 179.97 180.85 1htt h GLU 235 N 0.39 -0.21 -0.47 0.04 5.08 -0.89 -0.39 114.58 118.12 1htt h GLU 235 Ca -0.01 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1htt h GLU 235 Cb 1.19 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 1htt h GLU 235 CO 0.12 -0.12 0.30 1.25 -1.00 0.00 0.00 179.01 179.56 1htt h HIS 236 N -0.25 0.57 -0.28 4.33 2.76 -1.33 -0.05 115.15 120.90 1htt h HIS 236 Ca -0.02 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1htt h HIS 236 Cb 0.19 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 1htt h HIS 236 CO -0.06 0.34 0.08 0.35 -1.30 0.00 0.00 177.93 177.35 1htt h PHE 237 N 0.61 0.47 0.00 5.26 3.57 -1.08 -2.60 116.94 123.16 1htt h PHE 237 Ca 0.18 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.65 1htt h PHE 237 Cb -0.04 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1htt h PHE 237 CO -0.05 0.51 -0.10 0.00 -2.23 0.00 0.00 178.31 176.43 1htt h ALA 238 N 0.91 -0.12 -0.87 2.41 0.00 -0.54 0.86 119.26 121.91 1htt h ALA 238 Ca 0.09 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.16 1htt h ALA 238 Cb 0.27 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.14 1htt h ALA 238 CO -0.00 -0.60 0.46 0.78 0.00 0.00 0.00 179.25 179.89 1htt h GLY 239 N -0.18 1.43 0.93 0.00 0.00 -1.05 0.53 103.07 104.73 1htt h GLY 239 Ca 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1htt h GLY 239 CO -0.10 -0.04 0.13 -2.00 0.00 0.00 0.00 176.54 174.52 1htt h LEU 240 N 0.64 0.39 -1.29 3.11 7.12 -0.80 -0.98 115.31 123.49 1htt h LEU 240 Ca 0.48 -0.14 -0.04 0.00 0.13 0.00 0.00 57.88 58.30 1htt h LEU 240 Cb 0.69 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.70 1htt h LEU 240 CO -0.37 0.42 0.01 0.00 -0.13 0.00 0.00 178.44 178.37 1htt h LYS 242 N 0.47 0.70 -0.62 0.00 3.11 -0.38 -2.28 116.57 117.58 1htt h LYS 242 Ca 0.10 -0.24 0.04 0.00 -2.81 0.00 0.00 60.65 57.74 1htt h LYS 242 Cb 0.29 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.43 1htt h LYS 242 CO 0.01 0.82 0.41 -0.07 -2.81 0.00 0.00 179.45 177.80 1htt h LEU 243 N 0.51 0.60 -0.01 5.20 3.38 -0.43 -0.67 115.31 123.89 1htt h LEU 243 Ca 0.10 -0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.86 1htt h LEU 243 Cb 0.53 -0.14 0.02 0.00 0.09 0.00 0.00 40.66 41.16 1htt h LEU 243 CO 0.03 0.41 -0.81 -0.07 0.09 0.00 0.00 178.44 178.09 1htt h LEU 244 N 0.70 0.73 -0.28 1.67 4.07 -1.28 -3.08 115.31 117.84 1htt h LEU 244 Ca 0.25 -0.74 0.00 0.00 0.08 0.00 0.00 57.88 57.47 1htt h LEU 244 Cb 0.12 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 1htt h LEU 244 CO -0.07 1.37 0.17 -0.33 -1.08 0.00 0.00 178.44 178.51 1htt h GLU 245 N 0.16 0.37 0.00 1.13 5.08 -1.20 0.40 114.58 120.53 1htt h GLU 245 Ca -0.10 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1htt h GLU 245 Cb 1.49 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1htt h GLU 245 CO 0.16 0.28 0.00 0.43 -1.00 0.00 0.00 179.01 178.88 1htt n SER 246 N -4.87 0.00 0.00 1.42 7.64 -0.28 -0.50 113.62 117.03 1htt n SER 246 Ca -0.02 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.55 1htt n SER 246 Cb 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1htt n SER 246 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1htt n ALA 247 N -0.80 1.57 -1.09 -0.43 0.00 -0.35 -5.01 120.51 114.39 1htt n ALA 247 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1htt n ALA 247 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1htt n ALA 247 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1htt n GLY 248 N 0.74 0.48 3.63 0.00 0.00 0.35 -5.01 105.19 105.37 1htt n GLY 248 Ca 0.00 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1htt n GLY 248 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1htt s ILE 249 N -2.00 4.73 -0.19 -0.61 1.01 -0.51 -5.01 121.20 118.62 1htt s ILE 249 Ca 0.00 1.46 -0.29 0.00 0.00 0.00 0.00 60.65 61.82 1htt s ILE 249 Cb 0.00 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.26 1htt s ILE 249 CO 0.00 -0.26 1.08 0.00 0.00 0.00 0.00 174.94 175.76 1htt s ALA 250 N 3.10 3.64 0.33 9.38 0.00 -1.26 -4.40 121.76 132.55 1htt s ALA 250 Ca 0.37 0.27 0.04 0.00 0.00 0.00 0.00 51.96 52.64 1htt s ALA 250 Cb -0.14 -3.54 -0.06 0.00 0.00 0.00 0.00 23.12 19.37 1htt s ALA 250 CO 0.11 -1.00 0.06 1.52 0.00 0.00 0.00 175.76 176.45 1htt s TYR 251 N 3.05 1.98 -0.09 0.00 1.13 -1.26 -4.12 117.35 118.04 1htt s TYR 251 Ca 0.47 -0.96 0.02 0.00 -1.41 0.00 0.00 57.07 55.20 1htt s TYR 251 Cb -0.17 -1.30 0.01 0.00 -1.10 0.00 0.00 41.96 39.40 1htt s TYR 251 CO 0.10 0.02 -0.15 0.99 -2.51 0.00 0.00 175.55 173.99 1htt s THR 252 N -3.27 1.40 -0.27 -3.49 2.01 -0.05 -4.99 115.64 106.97 1htt s THR 252 Ca 0.36 -0.61 -0.22 0.00 0.31 0.00 0.00 61.69 61.53 1htt s THR 252 Cb 0.09 -1.26 -0.01 0.00 0.01 0.00 0.00 72.50 71.32 1htt s THR 252 CO 0.16 0.42 0.70 -0.69 -0.69 0.00 0.00 174.62 174.51 1htt s VAL 253 N 0.74 4.91 -0.28 3.82 1.01 -1.26 -0.15 120.40 129.19 1htt s VAL 253 Ca -0.12 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.02 1htt s VAL 253 Cb -0.16 -4.02 0.05 0.00 0.00 0.00 0.00 36.38 32.25 1htt s VAL 253 CO 0.03 -0.08 -0.05 0.21 0.00 0.00 0.00 175.10 175.21 1htt s ASN 254 N 1.51 4.69 0.39 3.32 2.47 0.21 -4.91 114.94 122.63 1htt s ASN 254 Ca 0.29 -1.32 0.15 0.00 0.42 0.00 0.00 52.86 52.40 1htt s ASN 254 Cb -0.15 -1.64 0.81 0.00 -1.45 0.00 0.00 41.25 38.82 1htt s ASN 254 CO 0.10 -0.23 1.85 -0.61 -3.72 0.00 0.00 177.10 174.49 1htt h GLN 255 N 7.90 0.00 0.00 0.43 -0.00 -1.95 -2.41 115.11 119.08 1htt h GLN 255 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.45 1htt h GLN 255 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.53 1htt h GLN 255 CO 0.50 0.34 0.00 0.54 0.00 0.00 0.00 178.83 180.21 1htt n ARG 256 N -3.99 0.98 -2.58 1.69 3.00 -1.26 -4.64 116.66 109.86 1htt n ARG 256 Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.41 1htt n ARG 256 Cb 0.39 -1.22 -0.02 0.00 0.00 0.00 0.00 32.46 31.60 1htt n ARG 256 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1htt s LEU 257 N -1.45 3.64 0.13 0.55 1.98 -0.91 -4.93 118.68 117.69 1htt s LEU 257 Ca 0.21 -1.70 0.05 0.00 -2.89 0.00 0.00 54.13 49.80 1htt s LEU 257 Cb 0.10 -2.56 -0.04 0.00 0.66 0.00 0.00 46.19 44.34 1htt s LEU 257 CO 0.16 -1.41 0.07 0.68 -1.89 0.00 0.00 176.35 173.96 1htt s VAL 258 N 4.70 4.28 0.59 1.68 -7.23 -1.26 -4.84 120.40 118.32 1htt s VAL 258 Ca 0.47 -1.03 0.03 0.00 -1.81 0.00 0.00 61.98 59.64 1htt s VAL 258 Cb 0.01 -3.12 0.07 0.00 0.56 0.00 0.00 36.38 33.89 1htt s VAL 258 CO -0.06 -0.00 0.82 -0.13 -0.31 0.00 0.00 175.10 175.41 1htt s ARG 259 N -2.73 2.29 -0.03 4.82 0.52 -1.26 -5.00 118.95 117.57 1htt s ARG 259 Ca 0.29 -1.06 0.09 0.00 -0.52 0.00 0.00 55.73 54.52 1htt s ARG 259 Cb -0.11 -2.50 0.29 0.00 0.52 0.00 0.00 34.95 33.15 1htt s ARG 259 CO 0.21 -0.89 1.17 0.41 0.02 0.00 0.00 175.30 176.22 1htt n GLY 260 N -2.41 0.87 3.18 -3.53 0.00 -1.26 -4.85 105.19 97.19 1htt n GLY 260 Ca 0.11 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 1htt n GLY 260 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1htt s LEU 261 N -1.04 2.13 -1.05 0.99 1.43 -1.26 -4.75 118.68 115.14 1htt s LEU 261 Ca 0.21 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.86 1htt s LEU 261 Cb 0.12 -0.79 0.31 0.00 0.03 0.00 0.00 46.19 45.87 1htt s LEU 261 CO 0.12 0.12 1.80 0.47 0.23 0.00 0.00 176.35 179.09 1htt n ASP 262 N 2.08 7.25 0.00 2.29 9.92 -0.18 -4.27 116.55 133.64 1htt n ASP 262 Ca -0.17 -3.64 0.00 0.00 -0.53 0.00 0.00 54.79 50.46 1htt n ASP 262 Cb 0.54 -1.19 0.00 0.00 -0.64 0.00 0.00 41.12 39.83 1htt n ASP 262 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1htt n TYR 263 N 0.19 0.00 -2.51 1.24 0.18 -1.26 -4.69 117.16 110.31 1htt n TYR 263 Ca 0.44 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.88 1htt n TYR 263 Cb 0.27 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.20 1htt n TYR 263 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 1htt s TYR 264 N -0.07 2.98 0.00 -3.48 2.02 -1.26 -4.44 117.35 113.10 1htt s TYR 264 Ca 0.00 1.58 0.00 0.00 -0.37 0.00 0.00 57.07 58.28 1htt s TYR 264 Cb 0.00 -3.10 0.00 0.00 -0.40 0.00 0.00 41.96 38.46 1htt s TYR 264 CO 0.00 -0.90 0.00 0.27 -1.57 0.00 0.00 175.55 173.35 1htt n ASN 265 N -0.92 0.00 0.00 2.29 6.94 0.07 -4.92 115.26 118.72 1htt n ASN 265 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.65 1htt n ASN 265 Cb 0.52 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.94 1htt n ASN 265 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1htt n ARG 266 N -2.16 0.00 -2.03 -3.83 1.74 -1.24 -3.03 116.66 106.11 1htt n ARG 266 Ca 0.00 0.09 -0.42 0.00 -0.77 0.00 0.00 57.85 56.75 1htt n ARG 266 Cb 0.00 -0.45 -0.03 0.00 -1.02 0.00 0.00 32.46 30.96 1htt n ARG 266 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1htt s THR 267 N -0.30 3.17 -0.03 0.55 2.01 -1.26 -2.12 115.64 117.65 1htt s THR 267 Ca 0.00 0.68 0.02 0.00 0.31 0.00 0.00 61.69 62.70 1htt s THR 267 Cb 0.00 -3.44 0.01 0.00 0.01 0.00 0.00 72.50 69.08 1htt s THR 267 CO 0.00 0.01 -0.08 0.68 -0.69 0.00 0.00 174.62 174.54 1htt s VAL 268 N 2.17 0.72 0.04 3.82 -7.23 -0.85 0.24 120.40 119.31 1htt s VAL 268 Ca 0.70 -0.30 -0.11 0.00 -1.81 0.00 0.00 61.98 60.46 1htt s VAL 268 Cb -0.38 -0.67 0.01 0.00 0.56 0.00 0.00 36.38 35.90 1htt s VAL 268 CO 0.30 0.24 0.23 0.72 -0.31 0.00 0.00 175.10 176.28 1htt s PHE 269 N 0.41 0.00 -0.05 2.82 -0.71 -0.60 -2.39 117.98 117.46 1htt s PHE 269 Ca -0.06 -0.19 -0.04 0.00 -1.04 0.00 0.00 56.93 55.60 1htt s PHE 269 Cb -0.10 0.01 0.02 0.00 -1.21 0.00 0.00 43.02 41.74 1htt s PHE 269 CO 0.01 -0.45 0.13 -1.21 -1.34 0.00 0.00 175.22 172.36 1htt s GLU 270 N -2.53 0.12 -0.27 1.99 2.02 -0.91 -1.49 118.70 117.62 1htt s GLU 270 Ca -0.05 0.26 -0.09 0.00 0.02 0.00 0.00 54.97 55.11 1htt s GLU 270 Cb -0.01 -0.05 -0.03 0.00 0.10 0.00 0.00 34.13 34.14 1htt s GLU 270 CO -0.04 -0.09 0.12 -1.58 0.02 0.00 0.00 175.26 173.70 1htt s TRP 271 N 0.58 3.15 0.18 1.61 0.52 -0.26 -1.37 118.94 123.34 1htt s TRP 271 Ca -0.04 -0.29 0.08 0.00 0.02 0.00 0.00 56.10 55.87 1htt s TRP 271 Cb -0.06 -2.31 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 1htt s TRP 271 CO -0.03 -0.32 -0.06 0.08 0.02 0.00 0.00 176.95 176.64 1htt s VAL 272 N 1.66 3.37 0.19 4.03 1.01 -0.31 -1.20 120.40 129.16 1htt s VAL 272 Ca 0.06 -1.59 0.07 0.00 0.00 0.00 0.00 61.98 60.53 1htt s VAL 272 Cb -0.16 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 1htt s VAL 272 CO 0.06 -0.12 -0.13 0.28 0.00 0.00 0.00 175.10 175.19 1htt s THR 273 N -1.73 1.60 -0.81 3.92 -1.32 0.28 -0.74 115.64 116.85 1htt s THR 273 Ca 0.26 -2.17 0.02 0.00 -1.21 0.00 0.00 61.69 58.59 1htt s THR 273 Cb -0.09 -1.99 0.23 0.00 -1.51 0.00 0.00 72.50 69.14 1htt s THR 273 CO 0.16 -0.63 0.83 -3.20 -2.21 0.00 0.00 174.62 169.57 1htt n ASN 274 N -0.32 4.18 -2.99 8.08 2.85 -1.26 -4.51 115.26 121.29 1htt n ASN 274 Ca -0.09 -3.29 -0.07 0.00 -0.11 0.00 0.00 54.58 51.02 1htt n ASN 274 Cb 0.60 -0.91 -0.01 0.00 1.24 0.00 0.00 39.78 40.71 1htt n ASN 274 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1htt n GLN 279 N 1.62 0.72 0.00 1.20 -0.06 -1.26 -5.12 117.38 114.47 1htt n GLN 279 Ca 0.25 -0.78 0.00 0.00 -2.00 0.00 0.00 57.00 54.47 1htt n GLN 279 Cb 0.37 -2.10 0.00 0.00 -4.06 0.00 0.00 30.24 24.45 1htt n GLN 279 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1htt n GLY 280 N 3.81 2.20 3.68 1.69 0.00 -1.26 -4.88 105.19 110.43 1htt n GLY 280 Ca 0.15 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1htt n GLY 280 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1htt s THR 281 N 0.00 3.96 -0.21 2.61 2.01 -1.26 -0.55 115.64 122.20 1htt s THR 281 Ca 0.00 1.29 0.16 0.00 0.31 0.00 0.00 61.69 63.44 1htt s THR 281 Cb 0.00 -3.83 -0.24 0.00 0.01 0.00 0.00 72.50 68.44 1htt s THR 281 CO 0.00 -0.03 0.03 0.52 -0.69 0.00 0.00 174.62 174.45 1htt n VAL 282 N 4.82 1.41 -3.86 3.82 0.31 -0.34 -4.87 118.33 119.62 1htt n VAL 282 Ca 0.13 -0.82 -0.12 0.00 -0.01 0.00 0.00 64.34 63.52 1htt n VAL 282 Cb 0.45 -0.60 -0.12 0.00 -0.91 0.00 0.00 33.84 32.65 1htt n VAL 282 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1htt s ALA 284 N -0.48 -1.04 0.02 0.00 0.00 -0.61 -1.10 121.76 118.55 1htt s ALA 284 Ca -0.06 0.70 -0.05 0.00 0.00 0.00 0.00 51.96 52.56 1htt s ALA 284 Cb -0.04 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.00 1htt s ALA 284 CO 0.00 -0.27 0.21 0.41 0.00 0.00 0.00 175.76 176.11 1htt n GLY 285 N 1.51 0.92 0.00 0.00 0.00 -0.56 -1.26 105.19 105.81 1htt n GLY 285 Ca -0.19 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1htt n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1htt n GLY 286 N -0.15 -0.87 3.93 -0.02 0.00 -0.78 -1.55 105.19 105.74 1htt n GLY 286 Ca 0.00 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 1htt n GLY 286 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1htt s ARG 287 N -0.35 3.45 -0.41 1.61 3.52 0.14 -2.33 118.95 124.58 1htt s ARG 287 Ca 0.00 -0.49 0.09 0.00 -0.13 0.00 0.00 55.73 55.21 1htt s ARG 287 Cb 0.00 -2.98 0.34 0.00 -1.56 0.00 0.00 34.95 30.75 1htt s ARG 287 CO 0.00 0.55 0.96 2.48 -0.81 0.00 0.00 175.30 178.48 1htt n TYR 288 N -0.16 -1.40 0.30 5.12 0.18 -0.20 -0.75 117.16 120.24 1htt n TYR 288 Ca -0.06 -2.86 0.15 0.00 1.88 0.00 0.00 57.90 57.01 1htt n TYR 288 Cb 0.53 0.69 0.90 0.00 -0.38 0.00 0.00 39.34 41.07 1htt n TYR 288 CO 0.00 0.00 0.00 -0.44 -2.08 0.00 0.00 176.86 174.34 1htt h ASP 289 N 2.95 0.00 1.01 9.48 3.32 -1.80 -2.76 116.42 128.61 1htt h ASP 289 Ca -0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1htt h ASP 289 Cb 1.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 1htt h ASP 289 CO 0.29 0.01 -1.00 1.23 -1.72 0.00 0.00 179.24 178.05 1htt h GLY 290 N 0.05 0.00 1.84 2.75 0.00 -1.83 -3.37 103.07 102.50 1htt h GLY 290 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1htt h GLY 290 CO 0.00 0.00 0.09 -2.00 0.00 0.00 0.00 176.54 174.63 1htt h LEU 291 N 0.00 0.13 -1.24 3.11 5.85 -1.75 -2.10 115.31 119.31 1htt h LEU 291 Ca -0.02 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1htt h LEU 291 Cb 1.06 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1htt h LEU 291 CO 0.00 0.09 -0.05 0.58 -0.34 0.00 0.00 178.44 178.72 1htt h VAL 292 N 0.15 1.20 0.07 1.05 2.07 -1.80 -2.24 116.25 116.75 1htt h VAL 292 Ca 0.05 -0.82 -0.27 0.00 0.82 0.00 0.00 66.70 66.48 1htt h VAL 292 Cb 0.03 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1htt h VAL 292 CO -0.01 0.27 -1.36 1.05 0.02 0.00 0.00 177.57 177.54 1htt h GLU 293 N 0.43 0.14 -0.34 1.57 4.11 -1.51 0.78 114.58 119.77 1htt h GLU 293 Ca 0.09 -0.25 0.07 0.00 0.07 0.00 0.00 59.36 59.35 1htt h GLU 293 Cb 0.37 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.63 1htt h GLU 293 CO 0.02 1.01 -0.17 1.96 0.07 0.00 0.00 179.01 181.89 1htt h GLN 294 N 0.04 -0.12 -0.95 1.06 1.08 -1.30 0.18 115.11 115.10 1htt h GLN 294 Ca -0.17 0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.00 1htt h GLN 294 Cb 1.94 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 29.37 1htt h GLN 294 CO 0.15 -0.08 0.05 1.28 -0.95 0.00 0.00 178.83 179.28 1htt n LEU 295 N -5.35 2.61 0.00 1.46 4.32 -0.87 -4.85 117.00 114.32 1htt n LEU 295 Ca 0.01 -1.33 0.00 0.00 -0.02 0.00 0.00 56.01 54.67 1htt n LEU 295 Cb 0.26 -0.55 0.00 0.00 -1.62 0.00 0.00 43.42 41.51 1htt n LEU 295 CO 0.14 0.43 0.00 0.61 -1.22 0.00 0.00 177.39 177.35 1htt n GLY 296 N 0.14 0.80 0.00 -0.72 0.00 0.05 -4.99 105.19 100.47 1htt n GLY 296 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1htt n GLY 296 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1htt n GLY 297 N -2.10 2.71 3.87 -0.02 0.00 0.27 -4.97 105.19 104.94 1htt n GLY 297 Ca 0.00 -2.13 -0.30 0.00 0.00 0.00 0.00 46.02 43.58 1htt n GLY 297 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1htt s ARG 298 N -1.33 3.80 0.15 1.61 1.81 -1.26 -3.97 118.95 119.76 1htt s ARG 298 Ca 0.00 0.52 -0.31 0.00 -1.72 0.00 0.00 55.73 54.22 1htt s ARG 298 Cb 0.00 -2.36 -0.09 0.00 -0.45 0.00 0.00 34.95 32.05 1htt s ARG 298 CO 0.00 -0.06 1.47 0.00 -0.68 0.00 0.00 175.30 176.03 1htt s ALA 299 N -2.40 3.68 -0.14 2.13 0.00 -1.26 -4.26 121.76 119.50 1htt s ALA 299 Ca 0.52 1.24 -0.12 0.00 0.00 0.00 0.00 51.96 53.61 1htt s ALA 299 Cb -0.10 -3.58 0.04 0.00 0.00 0.00 0.00 23.12 19.48 1htt s ALA 299 CO 0.31 -0.69 0.37 0.99 0.00 0.00 0.00 175.76 176.74 1htt s THR 300 N 1.04 -0.01 0.35 0.00 2.01 -1.26 -4.99 115.64 112.79 1htt s THR 300 Ca 0.67 0.03 -0.26 0.00 0.31 0.00 0.00 61.69 62.43 1htt s THR 300 Cb -0.40 -0.53 -0.09 0.00 0.01 0.00 0.00 72.50 71.49 1htt s THR 300 CO 0.31 0.01 1.07 -2.84 -0.69 0.00 0.00 174.62 172.49 1htt s PRO 301 N 0.50 4.33 -0.00 4.92 0.02 -1.26 -4.66 135.00 138.86 1htt s PRO 301 Ca -0.02 1.64 -0.13 0.00 0.02 0.00 0.00 61.00 62.51 1htt s PRO 301 Cb -0.04 -2.79 0.02 0.00 0.02 0.00 0.00 34.50 31.70 1htt s PRO 301 CO -0.03 -0.02 0.26 0.00 -0.33 0.00 0.00 177.00 176.88 1htt s ALA 302 N -1.46 -0.64 0.02 -1.55 0.00 -1.26 -0.66 121.76 116.21 1htt s ALA 302 Ca 0.53 0.14 -0.14 0.00 0.00 0.00 0.00 51.96 52.49 1htt s ALA 302 Cb -0.26 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.00 1htt s ALA 302 CO 0.33 -0.27 0.31 0.08 0.00 0.00 0.00 175.76 176.21 1htt s VAL 303 N -1.53 0.07 -0.01 0.00 1.01 -0.89 -1.03 120.40 118.01 1htt s VAL 303 Ca -0.13 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 1htt s VAL 303 Cb -0.05 -0.80 0.02 0.00 0.00 0.00 0.00 36.38 35.55 1htt s VAL 303 CO 0.02 -0.32 0.24 0.61 0.00 0.00 0.00 175.10 175.65 1htt n GLY 304 N 0.88 0.41 3.76 4.51 0.00 -0.98 -1.12 105.19 112.64 1htt n GLY 304 Ca -0.20 -0.85 -0.07 0.00 0.00 0.00 0.00 46.02 44.90 1htt n GLY 304 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1htt s PHE 305 N -2.29 -0.23 -0.01 1.61 -0.12 -0.40 -1.86 117.98 114.67 1htt s PHE 305 Ca 0.06 -0.14 -0.09 0.00 -0.05 0.00 0.00 56.93 56.71 1htt s PHE 305 Cb -0.00 0.67 0.01 0.00 -0.63 0.00 0.00 43.02 43.06 1htt s PHE 305 CO -0.00 -1.06 0.18 0.00 -0.05 0.00 0.00 175.22 174.28 1htt s ALA 306 N -3.71 -0.43 -0.01 1.99 0.00 -0.38 -0.47 121.76 118.73 1htt s ALA 306 Ca 0.10 0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.12 1htt s ALA 306 Cb -0.04 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 1htt s ALA 306 CO 0.02 -0.21 -0.13 1.41 0.00 0.00 0.00 175.76 176.85 1htt s MET 307 N -1.22 1.12 -0.68 0.00 0.00 0.11 -1.58 119.30 117.04 1htt s MET 307 Ca -0.13 -0.48 -0.27 0.00 0.00 0.00 0.00 55.69 54.82 1htt s MET 307 Cb -0.07 -1.07 0.04 0.00 0.00 0.00 0.00 34.83 33.73 1htt s MET 307 CO 0.02 0.28 1.21 0.20 0.00 0.00 0.00 175.02 176.72 1htt s GLY 308 N -0.27 1.02 0.54 2.11 0.00 -0.39 -1.90 107.32 108.44 1htt s GLY 308 Ca 0.04 -1.29 0.36 0.00 0.00 0.00 0.00 44.72 43.83 1htt s GLY 308 CO -0.00 2.52 2.10 1.41 0.00 0.00 0.00 173.10 179.13 1htt h LEU 309 N 12.48 0.00 -0.07 0.66 3.38 -1.66 -0.67 115.31 129.43 1htt h LEU 309 Ca -0.27 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.45 1htt h LEU 309 Cb 1.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.82 1htt h LEU 309 CO 1.24 0.00 -0.99 -0.33 0.09 0.00 0.00 178.44 178.45 1htt h GLU 310 N 0.00 0.62 -0.12 1.13 3.07 -1.90 -2.45 114.58 114.92 1htt h GLU 310 Ca 0.00 -0.65 -0.16 0.00 -0.50 0.00 0.00 59.36 58.05 1htt h GLU 310 Cb 0.05 0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 1htt h GLU 310 CO 0.00 1.25 -0.61 0.00 -1.40 0.00 0.00 179.01 178.25 1htt h ARG 311 N 0.36 0.41 0.03 2.33 3.08 -1.48 -1.99 114.38 117.12 1htt h ARG 311 Ca -0.11 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.66 1htt h ARG 311 Cb 1.63 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.72 1htt h ARG 311 CO 0.19 0.89 -0.02 1.25 -1.07 0.00 0.00 179.97 181.21 1htt h LEU 312 N 0.30 -0.04 -1.34 3.04 5.85 -1.39 0.12 115.31 121.86 1htt h LEU 312 Ca -0.01 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1htt h LEU 312 Cb 1.14 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1htt h LEU 312 CO 0.10 0.20 0.19 0.58 -0.34 0.00 0.00 178.44 179.18 1htt h VAL 313 N -0.28 1.17 -0.24 1.05 2.07 -1.42 -0.18 116.25 118.41 1htt h VAL 313 Ca -0.00 -0.51 -0.17 0.00 0.82 0.00 0.00 66.70 66.84 1htt h VAL 313 Cb 0.26 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1htt h VAL 313 CO 0.01 0.20 -0.53 -0.07 0.02 0.00 0.00 177.57 177.20 1htt h LEU 314 N 0.64 0.77 -0.29 2.57 -0.00 -1.18 -2.69 115.31 115.13 1htt h LEU 314 Ca 0.16 -0.40 -0.13 0.00 -0.00 0.00 0.00 57.88 57.50 1htt h LEU 314 Cb 0.12 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 40.55 1htt h LEU 314 CO -0.02 1.15 -0.33 0.25 -0.00 0.00 0.00 178.44 179.49 1htt h LEU 315 N 0.54 0.79 0.97 1.67 5.85 0.21 -2.60 115.31 122.74 1htt h LEU 315 Ca 0.02 -0.49 -0.05 0.00 0.84 0.00 0.00 57.88 58.20 1htt h LEU 315 Cb 1.10 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.91 1htt h LEU 315 CO 0.11 1.12 -0.48 0.58 -0.34 0.00 0.00 178.44 179.42 1htt h VAL 316 N 0.48 0.00 -1.36 1.05 2.07 -1.11 -0.52 116.25 116.86 1htt h VAL 316 Ca 0.04 0.00 0.40 0.00 0.82 0.00 0.00 66.70 67.96 1htt h VAL 316 Cb 0.91 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.61 1htt h VAL 316 CO 0.08 0.00 0.95 1.56 0.02 0.00 0.00 177.57 180.18 1htt h GLN 317 N -1.32 0.07 0.00 1.57 4.20 -1.53 0.53 115.11 118.64 1htt h GLN 317 Ca -0.13 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.50 1htt h GLN 317 Cb 1.02 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 1htt h GLN 317 CO 0.21 0.05 -0.52 0.00 -0.67 0.00 0.00 178.83 177.90 1htt h ALA 318 N 1.39 0.08 0.00 3.87 0.00 -1.15 -3.24 119.26 120.21 1htt h ALA 318 Ca 0.70 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1htt h ALA 318 Cb 2.53 0.35 0.00 0.00 0.00 0.00 0.00 17.79 20.68 1htt h ALA 318 CO -0.13 0.34 0.00 0.28 0.00 0.00 0.00 179.25 179.74 1htt n VAL 319 N -4.59 0.58 -2.43 0.00 0.31 -0.23 -3.65 118.33 108.32 1htt n VAL 319 Ca -0.14 -0.09 -0.10 0.00 -0.01 0.00 0.00 64.34 63.99 1htt n VAL 319 Cb 0.40 -0.73 0.04 0.00 -0.91 0.00 0.00 33.84 32.63 1htt n VAL 319 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1htt n ASN 320 N -2.10 3.05 0.00 4.52 2.85 0.18 -5.00 115.26 118.76 1htt n ASN 320 Ca 0.05 -2.84 0.00 0.00 -0.11 0.00 0.00 54.58 51.68 1htt n ASN 320 Cb 0.35 -0.41 0.00 0.00 1.24 0.00 0.00 39.78 40.96 1htt n ASN 320 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1htt n PRO 321 N -0.63 0.00 -2.17 1.20 -0.04 -1.22 -0.75 135.00 131.38 1htt n PRO 321 Ca 0.24 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.42 1htt n PRO 321 Cb 0.88 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.36 1htt n PRO 321 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1htt n GLU 322 N -1.67 3.40 -2.27 0.54 1.02 -1.26 -4.93 120.64 115.47 1htt n GLU 322 Ca 0.00 -4.21 -0.42 0.00 -0.02 0.00 0.00 57.16 52.51 1htt n GLU 322 Cb 0.00 -2.27 -0.03 0.00 -0.02 0.00 0.00 31.44 29.13 1htt n GLU 322 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1htt s PHE 323 N -3.63 2.16 0.14 -0.32 2.19 0.07 -4.98 117.98 113.61 1htt s PHE 323 Ca 0.51 0.59 0.02 0.00 0.33 0.00 0.00 56.93 58.38 1htt s PHE 323 Cb 0.41 -4.29 -0.04 0.00 -1.31 0.00 0.00 43.02 37.80 1htt s PHE 323 CO -0.10 -2.17 0.25 0.15 1.83 0.00 0.00 175.22 175.17 1htt s LYS 324 N 5.59 3.36 0.34 10.12 -0.14 -1.26 -5.02 119.74 132.73 1htt s LYS 324 Ca 0.61 -0.61 0.07 0.00 -1.36 0.00 0.00 55.97 54.68 1htt s LYS 324 Cb -0.14 -2.93 -0.02 0.00 -1.68 0.00 0.00 37.83 33.07 1htt s LYS 324 CO 0.28 0.53 0.37 0.00 -0.76 0.00 0.00 175.35 175.77 1htt s ALA 325 N -1.70 4.03 0.49 5.17 0.00 -1.26 -5.02 121.76 123.47 1htt s ALA 325 Ca 0.34 -1.58 -0.23 0.00 0.00 0.00 0.00 51.96 50.49 1htt s ALA 325 Cb -0.11 -1.38 -0.08 0.00 0.00 0.00 0.00 23.12 21.55 1htt s ALA 325 CO 0.28 -0.02 1.14 -0.40 0.00 0.00 0.00 175.76 176.75 1htt n ASP 326 N -1.50 1.78 -4.82 0.00 5.75 -1.26 -5.01 116.55 111.49 1htt n ASP 326 Ca -0.01 0.98 -0.34 0.00 -0.01 0.00 0.00 54.79 55.42 1htt n ASP 326 Cb 0.59 -1.45 -0.07 0.00 -1.03 0.00 0.00 41.12 39.17 1htt n ASP 326 CO 0.00 0.00 0.00 -2.84 -0.11 0.00 0.00 177.20 174.25 1htt s PRO 327 N -2.44 4.21 0.00 0.11 0.02 -1.26 -4.98 135.00 130.67 1htt s PRO 327 Ca 0.67 0.99 0.25 0.00 0.02 0.00 0.00 61.00 62.94 1htt s PRO 327 Cb -0.48 -2.40 0.45 0.00 0.02 0.00 0.00 34.50 32.09 1htt s PRO 327 CO 0.53 0.11 1.37 1.33 -0.33 0.00 0.00 177.00 180.01 1htt n VAL 328 N -0.27 0.00 -4.46 3.83 0.24 -1.26 -4.80 118.33 111.61 1htt n VAL 328 Ca 0.04 -0.15 -0.20 0.00 -2.04 0.00 0.00 64.34 61.99 1htt n VAL 328 Cb 0.53 0.69 -0.15 0.00 -1.47 0.00 0.00 33.84 33.44 1htt n VAL 328 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1htt s VAL 329 N -2.55 0.85 -0.19 3.34 1.01 -1.25 -4.83 120.40 116.78 1htt s VAL 329 Ca 0.21 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 1htt s VAL 329 Cb 0.19 -0.72 -0.11 0.00 0.00 0.00 0.00 36.38 35.74 1htt s VAL 329 CO 0.57 0.25 -0.19 0.47 0.00 0.00 0.00 175.10 176.19 1htt n ASP 330 N 2.96 2.12 -4.14 3.32 8.00 0.81 -3.79 116.55 125.83 1htt n ASP 330 Ca -0.15 0.03 -0.28 0.00 0.71 0.00 0.00 54.79 55.10 1htt n ASP 330 Cb 0.56 -0.40 -0.17 0.00 -0.02 0.00 0.00 41.12 41.10 1htt n ASP 330 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1htt s ILE 331 N -2.36 1.60 -0.15 0.53 1.01 -0.83 -0.66 121.20 120.34 1htt s ILE 331 Ca -0.25 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.60 1htt s ILE 331 Cb 0.08 -1.40 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 1htt s ILE 331 CO 0.39 0.46 -0.08 -0.47 0.00 0.00 0.00 174.94 175.23 1htt s TYR 332 N 0.32 2.92 -0.52 3.97 5.04 -0.80 -1.16 117.35 127.12 1htt s TYR 332 Ca -0.12 -0.52 -0.16 0.00 -2.44 0.00 0.00 57.07 53.82 1htt s TYR 332 Cb -0.15 -1.92 0.10 0.00 0.35 0.00 0.00 41.96 40.34 1htt s TYR 332 CO 0.05 -0.17 0.51 -1.17 -1.34 0.00 0.00 175.55 173.43 1htt s LEU 333 N 0.46 5.82 0.10 6.97 0.20 0.38 -1.39 118.68 131.22 1htt s LEU 333 Ca -0.07 -1.54 -0.25 0.00 0.69 0.00 0.00 54.13 52.97 1htt s LEU 333 Cb -0.15 -2.23 -0.07 0.00 -0.43 0.00 0.00 46.19 43.31 1htt s LEU 333 CO 0.04 -0.83 0.75 -0.69 -0.29 0.00 0.00 176.35 175.33 1htt s VAL 334 N 1.84 4.59 -0.19 1.68 1.01 0.36 -1.15 120.40 128.53 1htt s VAL 334 Ca 0.05 1.62 -0.08 0.00 0.00 0.00 0.00 61.98 63.57 1htt s VAL 334 Cb -0.27 -4.10 0.08 0.00 0.00 0.00 0.00 36.38 32.09 1htt s VAL 334 CO 0.05 0.45 0.43 0.00 0.00 0.00 0.00 175.10 176.02 1htt s ALA 335 N -0.58 -1.16 0.16 5.51 0.00 -1.26 -1.05 121.76 123.37 1htt s ALA 335 Ca 0.36 1.55 -0.02 0.00 0.00 0.00 0.00 51.96 53.85 1htt s ALA 335 Cb -0.21 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 1htt s ALA 335 CO 0.24 -0.61 0.12 0.45 0.00 0.00 0.00 175.76 175.96 1htt s SER 336 N 2.25 0.22 0.00 0.00 0.15 -0.73 -4.90 113.70 110.67 1htt s SER 336 Ca -0.04 -1.22 0.00 0.00 0.70 0.00 0.00 55.95 55.39 1htt s SER 336 Cb -0.11 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1htt s SER 336 CO -0.13 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.12 1htt n GLY 337 N -0.17 2.08 3.62 9.45 0.00 -1.26 -3.99 105.19 114.91 1htt n GLY 337 Ca -0.03 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 1htt n GLY 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1htt s ALA 338 N -2.19 3.05 -1.46 4.61 0.00 -1.26 -3.19 121.76 121.33 1htt s ALA 338 Ca 0.00 0.59 -0.08 0.00 0.00 0.00 0.00 51.96 52.47 1htt s ALA 338 Cb 0.00 -3.95 0.04 0.00 0.00 0.00 0.00 23.12 19.20 1htt s ALA 338 CO 0.00 -2.32 0.74 -0.25 0.00 0.00 0.00 175.76 173.93 1htt n ASP 339 N 9.70 -5.30 -0.06 0.00 8.00 -1.26 -4.91 116.55 122.72 1htt n ASP 339 Ca 0.23 -0.45 -0.09 0.00 0.71 0.00 0.00 54.79 55.19 1htt n ASP 339 Cb 0.45 -4.27 0.06 0.00 -0.02 0.00 0.00 41.12 37.34 1htt n ASP 339 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1htt h THR 340 N -1.61 1.29 -0.96 -3.53 2.02 -1.85 -3.38 112.91 104.89 1htt h THR 340 Ca -0.52 -1.54 0.16 0.00 0.77 0.00 0.00 66.41 65.27 1htt h THR 340 Cb 1.35 1.46 -0.10 0.00 -1.74 0.00 0.00 68.15 69.12 1htt h THR 340 CO 0.58 0.50 0.57 1.56 0.37 0.00 0.00 175.52 179.10 1htt h GLN 341 N 0.59 0.76 -0.60 6.66 1.08 -1.91 0.14 115.11 121.84 1htt h GLN 341 Ca 0.05 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.16 1htt h GLN 341 Cb 0.92 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 28.15 1htt h GLN 341 CO 0.08 0.50 0.17 0.77 -0.95 0.00 0.00 178.83 179.41 1htt h SER 342 N 0.79 0.85 -0.16 1.46 0.02 -2.00 -0.42 113.55 114.09 1htt h SER 342 Ca 0.52 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 1htt h SER 342 Cb 0.72 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1htt h SER 342 CO -0.34 0.81 0.06 0.00 -1.14 0.00 0.00 176.83 176.21 1htt h ALA 343 N 1.31 0.20 -0.39 3.77 0.00 -1.07 0.13 119.26 123.21 1htt h ALA 343 Ca 0.20 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1htt h ALA 343 Cb 0.28 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1htt h ALA 343 CO -0.01 -0.20 0.08 0.00 0.00 0.00 0.00 179.25 179.12 1htt h ALA 344 N 0.90 0.42 -0.00 0.00 0.00 -0.53 -0.11 119.26 119.94 1htt h ALA 344 Ca 0.05 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1htt h ALA 344 Cb 0.18 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1htt h ALA 344 CO -0.00 -0.32 -0.51 0.52 0.00 0.00 0.00 179.25 178.94 1htt h MET 345 N 0.21 0.00 -0.24 0.00 2.86 -0.90 -1.50 114.93 115.36 1htt h MET 345 Ca 0.19 -0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.78 1htt h MET 345 Cb 0.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1htt h MET 345 CO -0.24 0.51 -0.04 0.00 1.06 0.00 0.00 176.91 178.21 1htt h ALA 346 N 1.49 0.33 -0.51 6.32 0.00 0.19 -0.90 119.26 126.18 1htt h ALA 346 Ca -0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1htt h ALA 346 Cb 0.90 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1htt h ALA 346 CO 0.07 0.10 0.01 1.25 0.00 0.00 0.00 179.25 180.68 1htt h LEU 347 N 0.20 0.81 0.13 0.00 5.85 -0.97 -2.13 115.31 119.20 1htt h LEU 347 Ca 0.06 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1htt h LEU 347 Cb 0.48 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1htt h LEU 347 CO 0.02 0.86 -0.07 0.00 -0.34 0.00 0.00 178.44 178.92 1htt h ALA 348 N 1.23 -0.18 -0.68 1.25 0.00 -1.04 -1.60 119.26 118.24 1htt h ALA 348 Ca 0.15 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1htt h ALA 348 Cb 0.45 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1htt h ALA 348 CO 0.02 -0.60 0.45 0.93 0.00 0.00 0.00 179.25 180.04 1htt h GLU 349 N -0.18 0.70 0.03 0.00 4.39 -0.82 -2.00 114.58 116.70 1htt h GLU 349 Ca -0.01 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1htt h GLU 349 Cb 0.14 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1htt h GLU 349 CO 0.02 0.46 -0.01 -0.09 -1.16 0.00 0.00 179.01 178.23 1htt h ARG 350 N 0.72 -0.03 -0.05 2.33 1.12 -1.19 -2.60 114.38 114.67 1htt h ARG 350 Ca 0.29 0.00 0.02 0.00 -1.11 0.00 0.00 59.98 59.17 1htt h ARG 350 Cb 0.21 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.18 1htt h ARG 350 CO -0.09 0.52 0.07 -0.07 -3.11 0.00 0.00 179.97 177.29 1htt h LEU 351 N -0.61 0.00 -0.31 3.80 3.38 -1.03 0.50 115.31 121.03 1htt h LEU 351 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1htt h LEU 351 Cb 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1htt h LEU 351 CO 0.01 0.00 -0.51 0.03 0.09 0.00 0.00 178.44 178.06 1htt h ARG 352 N 0.00 0.89 -0.63 1.13 2.47 -1.24 0.12 114.38 117.12 1htt h ARG 352 Ca 0.03 -0.54 -0.03 0.00 -1.26 0.00 0.00 59.98 58.18 1htt h ARG 352 Cb 0.16 0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.51 1htt h ARG 352 CO -0.00 1.18 0.30 -0.44 0.56 0.00 0.00 179.97 181.57 1htt h ASP 353 N 0.69 0.83 0.70 7.04 3.32 -0.57 -3.27 116.42 125.16 1htt h ASP 353 Ca 0.02 -0.14 -0.26 0.00 0.02 0.00 0.00 57.03 56.67 1htt h ASP 353 Cb 1.11 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 1htt h ASP 353 CO 0.12 0.74 -1.25 -0.33 -1.72 0.00 0.00 179.24 176.80 1htt h GLU 354 N 0.87 0.18 -3.37 3.56 5.08 -1.04 -3.39 114.58 116.47 1htt h GLU 354 Ca 0.22 -0.31 -0.66 0.00 -1.00 0.00 0.00 59.36 57.61 1htt h GLU 354 Cb 0.13 0.11 -0.39 0.00 0.50 0.00 0.00 28.75 29.11 1htt h GLU 354 CO -0.03 1.11 -0.47 -0.51 -1.00 0.00 0.00 179.01 178.11 1htt s LEU 355 N -6.95 4.85 0.23 1.33 1.02 0.41 -5.08 118.68 114.49 1htt s LEU 355 Ca -0.03 -3.22 -0.32 0.00 0.02 0.00 0.00 54.13 50.58 1htt s LEU 355 Cb 0.08 -1.74 -0.12 0.00 0.02 0.00 0.00 46.19 44.43 1htt s LEU 355 CO 0.86 -0.24 1.66 -2.65 0.02 0.00 0.00 176.35 176.00 1htt n PRO 356 N 2.90 2.66 -2.22 1.29 -0.02 -1.25 -2.62 135.00 135.74 1htt n PRO 356 Ca 0.11 0.95 -0.14 0.00 -2.02 0.00 0.00 63.50 62.40 1htt n PRO 356 Cb 0.35 -2.77 -0.01 0.00 -0.02 0.00 0.00 33.50 31.05 1htt n PRO 356 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1htt n GLY 357 N 3.28 -0.12 3.88 -1.23 0.00 -1.26 -5.04 105.19 104.70 1htt n GLY 357 Ca 0.14 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1htt n GLY 357 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1htt s VAL 358 N -2.69 5.42 -0.51 1.61 -7.23 -1.08 -5.06 120.40 110.87 1htt s VAL 358 Ca 0.00 0.27 -0.20 0.00 -1.81 0.00 0.00 61.98 60.24 1htt s VAL 358 Cb 0.00 -3.47 0.05 0.00 0.56 0.00 0.00 36.38 33.52 1htt s VAL 358 CO 0.00 0.57 0.70 -0.54 -0.31 0.00 0.00 175.10 175.52 1htt s LYS 359 N -1.16 3.19 -0.15 4.82 1.02 -1.26 -4.99 119.74 121.21 1htt s LYS 359 Ca 0.18 -0.69 0.01 0.00 0.02 0.00 0.00 55.97 55.49 1htt s LYS 359 Cb -0.13 -4.07 -0.00 0.00 -0.52 0.00 0.00 37.83 33.11 1htt s LYS 359 CO 0.07 -1.26 -0.16 -1.17 -0.92 0.00 0.00 175.35 171.91 1htt s LEU 360 N 2.95 2.42 -0.13 3.17 0.20 -1.26 -0.13 118.68 125.90 1htt s LEU 360 Ca 0.19 -0.49 0.01 0.00 0.69 0.00 0.00 54.13 54.54 1htt s LEU 360 Cb -0.17 -1.54 -0.00 0.00 -0.43 0.00 0.00 46.19 44.04 1htt s LEU 360 CO 0.14 0.09 -0.18 -0.32 -0.29 0.00 0.00 176.35 175.79 1htt s MET 361 N 0.81 3.20 -0.20 1.98 -2.45 -0.31 -5.00 119.30 117.32 1htt s MET 361 Ca -0.06 -0.78 -0.24 0.00 -1.25 0.00 0.00 55.69 53.36 1htt s MET 361 Cb -0.15 -2.52 -0.01 0.00 1.25 0.00 0.00 34.83 33.39 1htt s MET 361 CO -0.00 0.11 0.81 0.99 1.05 0.00 0.00 175.02 177.97 1htt s THR 362 N 0.57 4.88 0.43 10.11 2.01 -1.26 -0.47 115.64 131.91 1htt s THR 362 Ca -0.10 1.56 -0.26 0.00 0.31 0.00 0.00 61.69 63.20 1htt s THR 362 Cb -0.16 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 68.15 1htt s THR 362 CO 0.04 -0.00 1.32 -3.20 -0.69 0.00 0.00 174.62 172.09 1htt n ASN 363 N 5.51 2.81 -4.13 3.53 5.15 -0.30 -4.92 115.26 122.91 1htt n ASN 363 Ca 0.04 1.12 -0.09 0.00 -0.60 0.00 0.00 54.58 55.05 1htt n ASN 363 Cb 0.48 -1.53 -0.10 0.00 -0.53 0.00 0.00 39.78 38.10 1htt n ASN 363 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1htt s HIS 364 N -1.19 0.74 -0.75 1.20 3.76 -1.26 -4.86 115.29 112.92 1htt s HIS 364 Ca 0.61 -1.05 0.00 0.00 -0.15 0.00 0.00 55.06 54.46 1htt s HIS 364 Cb -0.49 -0.47 0.00 0.00 1.11 0.00 0.00 32.58 32.73 1htt s HIS 364 CO 0.58 -0.33 0.00 0.41 -0.85 0.00 0.00 174.74 174.55 1htt n GLY 365 N 0.00 0.55 7.00 -2.22 0.00 -1.26 -4.81 105.19 104.45 1htt n GLY 365 Ca -0.11 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1htt n GLY 365 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1htt n GLY 366 N -1.57 0.68 0.00 -0.02 0.00 -1.26 -5.03 105.19 97.99 1htt n GLY 366 Ca -0.08 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1htt n GLY 366 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1htt n GLY 367 N 0.00 3.17 3.77 -0.02 0.00 -1.26 -4.89 105.19 105.96 1htt n GLY 367 Ca 0.00 -1.58 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 1htt n GLY 367 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1htt s ASN 368 N 0.00 4.17 0.32 1.61 2.20 -1.26 -4.76 114.94 117.22 1htt s ASN 368 Ca 0.00 1.45 0.06 0.00 -0.94 0.00 0.00 52.86 53.43 1htt s ASN 368 Cb 0.00 -2.17 0.73 0.00 -2.00 0.00 0.00 41.25 37.81 1htt s ASN 368 CO 0.00 -2.19 1.83 -0.26 -2.94 0.00 0.00 177.10 173.54 1htt h PHE 369 N -1.24 0.98 -0.33 1.54 0.04 -1.97 -1.00 116.94 114.95 1htt h PHE 369 Ca -0.47 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.34 1htt h PHE 369 Cb 1.27 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 39.09 1htt h PHE 369 CO 0.47 0.33 0.20 0.87 -0.60 0.00 0.00 178.31 179.58 1htt h LYS 370 N 0.79 0.40 0.62 1.51 1.79 -1.99 0.29 116.57 119.98 1htt h LYS 370 Ca 0.50 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.92 1htt h LYS 370 Cb 0.72 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 31.29 1htt h LYS 370 CO -0.27 0.26 -0.30 0.87 -1.08 0.00 0.00 179.45 178.94 1htt h LYS 371 N 0.41 -0.80 -0.91 3.15 1.57 -1.64 -1.97 116.57 116.38 1htt h LYS 371 Ca 0.13 0.05 0.19 0.00 -1.87 0.00 0.00 60.65 59.14 1htt h LYS 371 Cb -0.02 0.18 -0.07 0.00 0.08 0.00 0.00 32.23 32.40 1htt h LYS 371 CO -0.05 -0.52 0.59 1.96 -0.57 0.00 0.00 179.45 180.86 1htt h GLN 372 N -0.85 0.52 -0.17 3.15 4.20 -0.79 0.78 115.11 121.95 1htt h GLN 372 Ca -0.08 -0.03 -0.18 0.00 0.06 0.00 0.00 58.65 58.42 1htt h GLN 372 Cb 0.64 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 1htt h GLN 372 CO 0.14 0.34 -0.62 0.74 -0.67 0.00 0.00 178.83 178.76 1htt h PHE 373 N 0.53 0.76 -0.40 2.96 0.04 -0.15 -1.23 116.94 119.46 1htt h PHE 373 Ca 0.48 -0.29 -0.07 0.00 2.80 0.00 0.00 57.97 60.88 1htt h PHE 373 Cb 1.01 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 39.01 1htt h PHE 373 CO -0.00 1.05 -0.06 0.00 -0.60 0.00 0.00 178.31 178.70 1htt h ALA 374 N 0.88 1.16 -0.47 2.45 0.00 -0.18 -1.29 119.26 121.81 1htt h ALA 374 Ca -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1htt h ALA 374 Cb 1.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1htt h ALA 374 CO 0.12 0.54 0.23 0.00 0.00 0.00 0.00 179.25 180.14 1htt h ARG 375 N 0.62 0.67 -0.90 0.00 3.08 -0.69 -0.66 114.38 116.49 1htt h ARG 375 Ca 0.12 -0.09 0.10 0.00 0.07 0.00 0.00 59.98 60.18 1htt h ARG 375 Cb 0.47 -0.12 -0.08 0.00 0.08 0.00 0.00 29.97 30.32 1htt h ARG 375 CO 0.02 0.56 0.54 0.00 -1.07 0.00 0.00 179.97 180.02 1htt h ALA 376 N 1.08 1.32 0.00 0.04 0.00 -0.13 -1.06 119.26 120.51 1htt h ALA 376 Ca 0.16 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1htt h ALA 376 Cb 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1htt h ALA 376 CO -0.02 0.16 -0.56 -0.44 0.00 0.00 0.00 179.25 178.39 1htt h ASP 377 N 0.89 0.00 -0.83 0.00 3.32 -0.83 -2.31 116.42 116.65 1htt h ASP 377 Ca 0.44 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.51 1htt h ASP 377 Cb 0.41 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.91 1htt h ASP 377 CO -0.25 0.56 0.54 0.50 -1.72 0.00 0.00 179.24 178.87 1htt h LYS 378 N 0.00 1.05 0.00 3.56 3.64 0.20 -2.83 116.57 122.19 1htt h LYS 378 Ca -0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1htt h LYS 378 Cb 1.03 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1htt h LYS 378 CO 0.07 0.69 -0.22 0.91 -2.27 0.00 0.00 179.45 178.64 1htt n TRP 379 N -4.54 0.25 -1.89 1.91 7.02 -1.05 -4.95 117.44 114.19 1htt n TRP 379 Ca 0.09 0.07 0.00 0.00 -1.02 0.00 0.00 57.50 56.65 1htt n TRP 379 Cb 0.05 -0.54 0.00 0.00 -2.42 0.00 0.00 31.31 28.41 1htt n TRP 379 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1htt n GLY 380 N 1.44 0.61 3.76 6.99 0.00 -1.04 -3.77 105.19 113.18 1htt n GLY 380 Ca 0.06 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 1htt n GLY 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1htt s ALA 381 N -2.17 3.33 -0.05 4.61 0.00 -0.90 -4.66 121.76 121.91 1htt s ALA 381 Ca 0.00 0.91 -0.03 0.00 0.00 0.00 0.00 51.96 52.85 1htt s ALA 381 Cb 0.00 -3.34 -0.27 0.00 0.00 0.00 0.00 23.12 19.51 1htt s ALA 381 CO 0.00 -0.27 0.63 0.00 0.00 0.00 0.00 175.76 176.12 1htt h ARG 382 N 3.40 0.24 -4.75 0.00 3.08 -1.14 -3.45 114.38 111.77 1htt h ARG 382 Ca -0.47 -0.41 -0.34 0.00 0.07 0.00 0.00 59.98 58.83 1htt h ARG 382 Cb 1.22 0.15 -0.24 0.00 0.08 0.00 0.00 29.97 31.18 1htt h ARG 382 CO 0.65 1.08 -0.76 0.08 -1.07 0.00 0.00 179.97 179.96 1htt s VAL 383 N -2.59 0.70 -0.06 2.04 1.01 -1.13 -1.03 120.40 119.35 1htt s VAL 383 Ca -0.14 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.03 1htt s VAL 383 Cb 0.07 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 1htt s VAL 383 CO 0.82 -0.15 -0.24 0.00 0.00 0.00 0.00 175.10 175.52 1htt s ALA 384 N -0.94 2.11 -0.22 5.51 0.00 -0.27 -1.90 121.76 126.06 1htt s ALA 384 Ca -0.04 -1.02 -0.08 0.00 0.00 0.00 0.00 51.96 50.82 1htt s ALA 384 Cb -0.08 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 1htt s ALA 384 CO 0.01 0.41 0.09 0.08 0.00 0.00 0.00 175.76 176.35 1htt s VAL 385 N -0.16 4.86 -0.06 0.00 1.01 -0.48 -0.85 120.40 124.71 1htt s VAL 385 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 1htt s VAL 385 Cb -0.13 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1htt s VAL 385 CO 0.03 0.39 0.01 -0.69 0.00 0.00 0.00 175.10 174.85 1htt s VAL 386 N 0.88 4.35 -0.19 2.92 1.01 0.13 -0.49 120.40 129.01 1htt s VAL 386 Ca 0.05 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.66 1htt s VAL 386 Cb -0.13 -2.87 0.06 0.00 0.00 0.00 0.00 36.38 33.44 1htt s VAL 386 CO 0.03 0.53 0.09 -0.76 0.00 0.00 0.00 175.10 174.99 1htt s LEU 387 N -1.11 0.42 0.00 3.92 1.02 -0.22 -2.16 118.68 120.54 1htt s LEU 387 Ca 0.16 -0.70 0.00 0.00 0.02 0.00 0.00 54.13 53.61 1htt s LEU 387 Cb -0.11 -0.27 0.00 0.00 0.02 0.00 0.00 46.19 45.82 1htt s LEU 387 CO 0.05 -0.36 0.00 0.61 0.02 0.00 0.00 176.35 176.67 1htt n GLY 388 N 5.26 1.69 0.26 -3.19 0.00 -1.26 -1.78 105.19 106.18 1htt n GLY 388 Ca -0.07 -2.07 -0.11 0.00 0.00 0.00 0.00 46.02 43.77 1htt n GLY 388 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1htt h GLU 389 N 0.00 0.87 0.15 1.61 4.22 -1.92 -2.90 114.58 116.61 1htt h GLU 389 Ca 0.00 -0.42 0.01 0.00 0.08 0.00 0.00 59.36 59.04 1htt h GLU 389 Cb 0.00 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1htt h GLU 389 CO 0.00 1.06 -0.27 0.77 -2.18 0.00 0.00 179.01 178.39 1htt h SER 390 N 0.73 -0.77 -0.85 1.04 0.02 -1.95 -1.37 113.55 110.39 1htt h SER 390 Ca 0.07 0.09 0.13 0.00 -0.84 0.00 0.00 61.79 61.24 1htt h SER 390 Cb 0.89 0.29 -0.06 0.00 0.14 0.00 0.00 62.40 63.65 1htt h SER 390 CO 0.08 -0.37 0.55 -0.33 -1.14 0.00 0.00 176.83 175.62 1htt h GLU 391 N -0.51 0.66 0.06 3.45 3.07 -1.85 -0.08 114.58 119.37 1htt h GLU 391 Ca 0.02 -0.04 -0.26 0.00 -0.50 0.00 0.00 59.36 58.58 1htt h GLU 391 Cb 0.52 -0.15 0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1htt h GLU 391 CO -0.14 0.44 -1.09 -0.39 -1.40 0.00 0.00 179.01 176.43 1htt h VAL 392 N 0.68 1.38 -0.40 3.13 -1.51 -1.21 -0.82 116.25 117.50 1htt h VAL 392 Ca 0.42 -2.55 -0.11 0.00 -1.23 0.00 0.00 66.70 63.23 1htt h VAL 392 Cb 0.65 2.58 -0.01 0.00 -2.13 0.00 0.00 31.29 32.38 1htt h VAL 392 CO -0.18 0.76 -0.18 0.00 -1.23 0.00 0.00 177.57 176.75 1htt h ALA 393 N 0.56 0.56 0.00 5.19 0.00 -0.53 -3.16 119.26 121.88 1htt h ALA 393 Ca -0.12 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1htt h ALA 393 Cb 1.75 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1htt h ALA 393 CO 0.19 0.50 0.00 0.09 0.00 0.00 0.00 179.25 180.04 1htt n ASN 394 N -4.25 0.00 -1.03 0.00 3.02 -0.11 -4.91 115.26 107.97 1htt n ASN 394 Ca -0.01 -1.12 -0.13 0.00 -0.03 0.00 0.00 54.58 53.28 1htt n ASN 394 Cb 0.42 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.53 1htt n ASN 394 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1htt n GLY 395 N 0.86 1.41 4.00 7.41 0.00 -0.85 -5.01 105.19 113.01 1htt n GLY 395 Ca 0.20 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 1htt n GLY 395 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1htt s THR 396 N -2.47 2.20 -0.12 2.61 -4.23 -0.37 -1.83 115.64 111.43 1htt s THR 396 Ca 0.00 -1.11 -0.14 0.00 -1.18 0.00 0.00 61.69 59.26 1htt s THR 396 Cb 0.00 -2.31 0.04 0.00 1.34 0.00 0.00 72.50 71.57 1htt s THR 396 CO 0.00 0.00 0.38 0.00 -0.54 0.00 0.00 174.62 174.46 1htt s ALA 397 N -2.63 -0.94 -0.08 3.99 0.00 -0.54 -4.50 121.76 117.06 1htt s ALA 397 Ca 0.55 0.97 -0.14 0.00 0.00 0.00 0.00 51.96 53.34 1htt s ALA 397 Cb -0.05 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 1htt s ALA 397 CO 0.34 -0.20 0.34 0.08 0.00 0.00 0.00 175.76 176.32 1htt s VAL 398 N -0.06 5.20 -0.38 0.00 1.01 -0.92 -1.31 120.40 123.94 1htt s VAL 398 Ca -0.02 0.67 -0.05 0.00 0.00 0.00 0.00 61.98 62.57 1htt s VAL 398 Cb -0.03 -3.65 0.08 0.00 0.00 0.00 0.00 36.38 32.78 1htt s VAL 398 CO 0.01 0.50 0.18 -0.69 0.00 0.00 0.00 175.10 175.10 1htt s VAL 399 N -0.44 3.62 -0.34 2.92 1.01 -0.18 -0.70 120.40 126.29 1htt s VAL 399 Ca 0.20 -1.60 -0.17 0.00 0.00 0.00 0.00 61.98 60.41 1htt s VAL 399 Cb -0.15 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 1htt s VAL 399 CO 0.09 -0.46 0.48 -0.54 0.00 0.00 0.00 175.10 174.66 1htt s LYS 400 N 1.29 3.65 -0.69 2.72 -0.14 -0.03 -1.79 119.74 124.75 1htt s LYS 400 Ca 0.03 -0.18 -0.27 0.00 -1.36 0.00 0.00 55.97 54.19 1htt s LYS 400 Cb -0.22 -3.79 0.03 0.00 -1.68 0.00 0.00 37.83 32.17 1htt s LYS 400 CO -0.01 -0.58 1.28 0.34 -0.76 0.00 0.00 175.35 175.62 1htt s ASP 401 N 1.74 6.21 0.54 2.83 -1.08 0.10 -1.11 116.67 125.89 1htt s ASP 401 Ca 0.17 -0.25 0.23 0.00 -0.52 0.00 0.00 52.55 52.19 1htt s ASP 401 Cb -0.16 -2.56 1.50 0.00 -1.46 0.00 0.00 42.92 40.25 1htt s ASP 401 CO 0.13 -1.76 2.16 -0.07 0.52 0.00 0.00 175.17 176.15 1htt h LEU 402 N 12.85 0.00 -1.43 -1.34 3.38 -1.40 0.42 115.31 127.79 1htt h LEU 402 Ca -0.27 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 1htt h LEU 402 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1htt h LEU 402 CO 1.25 0.05 -0.22 0.03 0.09 0.00 0.00 178.44 179.63 1htt h ARG 403 N 0.00 0.09 0.00 1.13 3.08 -1.88 -3.32 114.38 113.48 1htt h ARG 403 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1htt h ARG 403 Cb 0.10 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1htt h ARG 403 CO 0.01 0.31 0.00 -1.13 -1.07 0.00 0.00 179.97 178.09 1htt n SER 404 N -4.24 0.12 0.00 7.04 3.41 -0.62 -5.01 113.62 114.32 1htt n SER 404 Ca -0.02 -0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 1htt n SER 404 Cb 0.30 0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 1htt n SER 404 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1htt n GLY 405 N 0.42 3.07 3.51 5.00 0.00 0.14 -4.99 105.19 112.33 1htt n GLY 405 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1htt n GLY 405 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1htt n GLU 406 N -0.99 1.25 -5.00 1.61 0.28 -1.24 -4.46 120.64 112.08 1htt n GLU 406 Ca 0.00 0.29 -0.32 0.00 -0.16 0.00 0.00 57.16 56.97 1htt n GLU 406 Cb 0.00 -2.78 -0.15 0.00 1.43 0.00 0.00 31.44 29.94 1htt n GLU 406 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 1htt s GLN 407 N 6.76 2.79 0.04 3.44 -2.07 -1.26 -0.72 119.66 128.64 1htt s GLN 407 Ca 1.07 -0.77 0.05 0.00 -1.82 0.00 0.00 55.36 53.88 1htt s GLN 407 Cb -0.63 -2.37 -0.02 0.00 -1.09 0.00 0.00 33.01 28.90 1htt s GLN 407 CO 0.41 0.41 -0.13 0.95 -1.32 0.00 0.00 175.29 175.61 1htt s THR 408 N -0.18 1.06 -0.09 3.63 -4.23 -0.74 -4.93 115.64 110.16 1htt s THR 408 Ca -0.01 -0.96 -0.27 0.00 -1.18 0.00 0.00 61.69 59.27 1htt s THR 408 Cb -0.13 -0.96 -0.02 0.00 1.34 0.00 0.00 72.50 72.72 1htt s THR 408 CO 0.03 0.00 0.87 0.00 -0.54 0.00 0.00 174.62 174.98 1htt s ALA 409 N -0.83 3.35 0.07 3.99 0.00 -1.26 -1.01 121.76 126.07 1htt s ALA 409 Ca 0.01 0.26 0.09 0.00 0.00 0.00 0.00 51.96 52.32 1htt s ALA 409 Cb -0.08 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1htt s ALA 409 CO 0.01 -0.39 -0.25 0.08 0.00 0.00 0.00 175.76 175.21 1htt s VAL 410 N 1.47 2.03 0.44 0.00 1.01 -0.43 -4.97 120.40 119.95 1htt s VAL 410 Ca 0.43 -1.43 -0.25 0.00 0.00 0.00 0.00 61.98 60.74 1htt s VAL 410 Cb -0.18 -1.76 -0.08 0.00 0.00 0.00 0.00 36.38 34.36 1htt s VAL 410 CO 0.19 0.25 1.29 0.00 0.00 0.00 0.00 175.10 176.83 1htt s ALA 411 N -0.88 3.14 0.47 5.51 0.00 -1.26 -1.47 121.76 127.28 1htt s ALA 411 Ca 0.11 1.21 0.18 0.00 0.00 0.00 0.00 51.96 53.46 1htt s ALA 411 Cb -0.10 -3.49 1.17 0.00 0.00 0.00 0.00 23.12 20.71 1htt s ALA 411 CO 0.03 -0.90 2.00 1.96 0.00 0.00 0.00 175.76 178.85 1htt h GLN 412 N 2.37 0.23 0.00 0.00 4.20 -1.64 0.24 115.11 120.51 1htt h GLN 412 Ca -0.50 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.16 1htt h GLN 412 Cb 1.26 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.98 1htt h GLN 412 CO 0.61 0.15 -0.16 -0.44 -0.67 0.00 0.00 178.83 178.32 1htt h ASP 413 N 0.24 0.00 -0.10 1.46 5.19 -1.90 -2.78 116.42 118.54 1htt h ASP 413 Ca 0.25 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 1htt h ASP 413 Cb 0.67 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.18 1htt h ASP 413 CO -0.05 0.16 0.00 -1.20 -3.12 0.00 0.00 179.24 175.03 1htt n SER 414 N -3.46 2.99 -0.15 6.45 7.64 0.80 -4.59 113.62 123.29 1htt n SER 414 Ca -0.01 -1.95 -0.11 0.00 1.01 0.00 0.00 58.87 57.82 1htt n SER 414 Cb 0.33 -0.05 -0.01 0.00 -1.01 0.00 0.00 64.21 63.48 1htt n SER 414 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1htt h VAL 415 N 4.42 1.27 -0.45 0.44 -1.51 -1.17 -2.71 116.25 116.54 1htt h VAL 415 Ca 0.00 -1.15 0.08 0.00 -1.23 0.00 0.00 66.70 64.41 1htt h VAL 415 Cb 0.95 1.11 -0.07 0.00 -2.13 0.00 0.00 31.29 31.14 1htt h VAL 415 CO 0.00 0.39 0.03 0.00 -1.23 0.00 0.00 177.57 176.76 1htt h ALA 416 N 0.88 0.45 -0.87 5.19 0.00 -1.81 0.10 119.26 123.21 1htt h ALA 416 Ca 0.12 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1htt h ALA 416 Cb 0.58 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1htt h ALA 416 CO 0.03 -0.37 0.48 0.00 0.00 0.00 0.00 179.25 179.40 1htt h ALA 417 N 1.39 1.12 -0.44 0.00 0.00 -1.86 0.60 119.26 120.06 1htt h ALA 417 Ca 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1htt h ALA 417 Cb 0.32 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1htt h ALA 417 CO -0.35 0.63 0.22 1.25 0.00 0.00 0.00 179.25 181.00 1htt h HIS 418 N 1.22 0.60 0.10 0.00 6.17 -0.60 -1.89 115.15 120.76 1htt h HIS 418 Ca 0.31 -0.01 -0.29 0.00 0.71 0.00 0.00 60.37 61.09 1htt h HIS 418 Cb 0.03 -0.19 0.02 0.00 2.52 0.00 0.00 27.41 29.79 1htt h HIS 418 CO 0.01 0.44 -1.21 -0.07 0.71 0.00 0.00 177.93 177.81 1htt h LEU 419 N 0.62 0.80 -0.94 0.26 3.38 0.52 -2.89 115.31 117.06 1htt h LEU 419 Ca 0.16 -0.73 0.13 0.00 0.09 0.00 0.00 57.88 57.53 1htt h LEU 419 Cb 0.06 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 40.47 1htt h LEU 419 CO -0.02 1.54 0.56 0.03 0.09 0.00 0.00 178.44 180.64 1htt h ARG 420 N 0.26 0.81 -0.04 1.13 3.08 -0.30 0.19 114.38 119.51 1htt h ARG 420 Ca -0.17 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 1htt h ARG 420 Cb 1.88 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 31.75 1htt h ARG 420 CO 0.23 0.53 0.02 1.15 -1.07 0.00 0.00 179.97 180.83 1htt h THR 421 N 0.83 1.13 0.00 2.04 2.02 -1.40 -2.07 112.91 115.46 1htt h THR 421 Ca 0.49 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 67.22 1htt h THR 421 Cb 0.58 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1htt h THR 421 CO -0.31 0.11 -0.28 -0.07 0.37 0.00 0.00 175.52 175.34 1htt h LEU 422 N -0.09 0.00 0.00 2.58 3.38 -0.49 -3.33 115.31 117.36 1htt h LEU 422 Ca 0.01 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.73 1htt h LEU 422 Cb 0.16 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1htt h LEU 422 CO -0.00 0.28 -1.51 0.18 0.09 0.00 0.00 178.44 177.48 1htt n LEU 423 N -4.21 1.88 0.00 1.67 4.77 -0.13 -5.07 117.00 115.92 1htt n LEU 423 Ca -0.02 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1htt n LEU 423 Cb 0.33 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1htt n LEU 423 CO 0.38 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.29