#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 4.92 0.49 -1.44 1.09 -1.26 -5.10 121.20 119.91 1htt s ILE 5 Ca 0.00 0.71 0.02 0.00 -1.10 0.00 0.00 60.65 60.27 1htt s ILE 5 Cb 0.00 -3.70 0.02 0.00 -1.06 0.00 0.00 42.46 37.71 1htt s ILE 5 CO 0.00 0.23 0.15 0.00 -0.10 0.00 0.00 174.94 175.22 1htt n GLN 6 N 0.77 0.79 -2.96 2.79 6.02 -1.26 -5.11 117.38 118.42 1htt n GLN 6 Ca -0.06 -3.40 -0.37 0.00 -0.01 0.00 0.00 57.00 53.17 1htt n GLN 6 Cb 0.52 0.71 -0.06 0.00 1.02 0.00 0.00 30.24 32.43 1htt n GLN 6 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1htt s ALA 7 N -2.79 3.35 0.04 -1.58 0.00 -1.26 -4.99 121.76 114.53 1htt s ALA 7 Ca 0.11 0.33 -0.36 0.00 0.00 0.00 0.00 51.96 52.04 1htt s ALA 7 Cb -0.01 -2.97 -0.15 0.00 0.00 0.00 0.00 23.12 19.99 1htt s ALA 7 CO 0.07 0.27 1.54 -0.89 0.00 0.00 0.00 175.76 176.75 1htt n ILE 8 N 0.85 0.11 -1.73 0.00 2.08 -1.26 -4.83 119.36 114.58 1htt n ILE 8 Ca -0.02 -0.02 -0.42 0.00 0.56 0.00 0.00 62.75 62.85 1htt n ILE 8 Cb 0.50 -1.24 -0.01 0.00 -0.75 0.00 0.00 39.64 38.15 1htt n ILE 8 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1htt n ARG 9 N 3.70 2.40 -1.00 0.38 3.00 -1.26 -1.33 116.66 122.56 1htt n ARG 9 Ca 0.19 0.85 0.00 0.00 -0.00 0.00 0.00 57.85 58.89 1htt n ARG 9 Cb 0.23 -2.51 0.00 0.00 0.00 0.00 0.00 32.46 30.17 1htt n ARG 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1htt n GLY 10 N 0.86 0.51 3.19 5.14 0.00 -1.26 -4.81 105.19 108.83 1htt n GLY 10 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.13 2.81 0.04 1.61 -1.94 -0.44 -1.88 119.30 119.38 1htt s MET 11 Ca 0.00 -0.99 -0.03 0.00 -1.71 0.00 0.00 55.69 52.96 1htt s MET 11 Cb 0.00 -2.97 -0.04 0.00 2.01 0.00 0.00 34.83 33.83 1htt s MET 11 CO 0.00 -0.40 0.25 -0.80 -0.01 0.00 0.00 175.02 174.06 1htt s ASN 12 N 1.31 6.42 0.12 3.03 0.01 -1.26 -4.70 114.94 119.88 1htt s ASN 12 Ca -0.00 0.43 -0.06 0.00 -0.71 0.00 0.00 52.86 52.51 1htt s ASN 12 Cb -0.17 -2.03 -0.06 0.00 0.41 0.00 0.00 41.25 39.41 1htt s ASN 12 CO -0.05 0.19 0.38 -1.81 -1.51 0.00 0.00 177.10 174.31 1htt s ASP 13 N -2.14 6.53 -0.28 -1.22 1.11 -1.26 -5.08 116.67 114.34 1htt s ASP 13 Ca 0.32 0.65 0.02 0.00 0.18 0.00 0.00 52.55 53.72 1htt s ASP 13 Cb -0.13 -2.12 0.06 0.00 1.07 0.00 0.00 42.92 41.81 1htt s ASP 13 CO 0.22 0.09 -0.07 -0.31 1.18 0.00 0.00 175.17 176.28 1htt s TYR 14 N -1.58 3.32 0.74 4.23 2.02 -1.26 -5.10 117.35 119.71 1htt s TYR 14 Ca 0.39 -2.32 -0.11 0.00 -0.37 0.00 0.00 57.07 54.66 1htt s TYR 14 Cb -0.13 -2.08 0.03 0.00 -0.40 0.00 0.00 41.96 39.39 1htt s TYR 14 CO 0.22 -0.87 1.07 -0.51 -1.57 0.00 0.00 175.55 173.89 1htt s LEU 15 N 1.11 3.00 0.24 -1.29 2.01 -1.26 -4.73 118.68 117.76 1htt s LEU 15 Ca -0.06 1.62 -0.15 0.00 0.01 0.00 0.00 54.13 55.54 1htt s LEU 15 Cb -0.20 -4.40 0.29 0.00 0.01 0.00 0.00 46.19 41.88 1htt s LEU 15 CO -0.05 -1.70 1.56 -0.65 1.01 0.00 0.00 176.35 176.52 1htt h PRO 16 N -0.90 -0.01 -0.89 1.29 0.11 -2.00 -1.58 132.00 128.03 1htt h PRO 16 Ca -0.44 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.79 1htt h PRO 16 Cb 1.23 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 1htt h PRO 16 CO 0.56 -0.01 0.51 0.78 -0.21 0.00 0.00 178.00 179.63 1htt h GLY 17 N -0.01 1.42 1.31 -0.55 0.00 -2.02 -2.78 103.07 100.44 1htt h GLY 17 Ca 0.37 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1htt h GLY 17 CO -0.98 0.09 -0.66 -2.09 0.00 0.00 0.00 176.54 172.89 1htt h GLU 18 N 0.80 0.00 0.00 4.80 4.57 -1.67 -3.21 114.58 119.87 1htt h GLU 18 Ca 0.45 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.51 1htt h GLU 18 Cb 0.50 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 1htt h GLU 18 CO -0.29 0.00 -0.59 1.79 -1.18 0.00 0.00 179.01 178.75 1htt h THR 19 N 0.00 1.29 -0.66 0.32 1.35 -1.18 -2.03 112.91 112.00 1htt h THR 19 Ca 0.00 -2.10 0.12 0.00 -0.55 0.00 0.00 66.41 63.88 1htt h THR 19 Cb 0.96 2.18 -0.09 0.00 -1.73 0.00 0.00 68.15 69.46 1htt h THR 19 CO 0.00 0.57 0.19 0.00 -0.25 0.00 0.00 175.52 176.03 1htt h ALA 20 N 1.41 0.83 -0.27 6.62 0.00 -1.52 0.31 119.26 126.64 1htt h ALA 20 Ca -0.01 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1htt h ALA 20 Cb 1.13 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1htt h ALA 20 CO 0.08 -0.27 -0.21 0.82 0.00 0.00 0.00 179.25 179.67 1htt h ILE 21 N 0.33 1.30 -0.75 0.00 2.04 -1.62 -2.99 117.51 115.82 1htt h ILE 21 Ca 0.35 -1.35 0.07 0.00 1.00 0.00 0.00 64.86 64.93 1htt h ILE 21 Cb 0.52 1.57 -0.06 0.00 -0.74 0.00 0.00 36.82 38.11 1htt h ILE 21 CO -0.40 0.43 0.43 -0.50 0.00 0.00 0.00 178.15 178.11 1htt h TRP 22 N 0.36 0.80 -0.16 1.37 4.06 -0.49 -1.61 115.95 120.27 1htt h TRP 22 Ca 0.05 0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.96 1htt h TRP 22 Cb 0.75 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.65 1htt h TRP 22 CO 0.07 0.38 -0.19 1.96 -3.56 0.00 0.00 178.44 177.10 1htt h GLN 23 N 0.78 0.27 0.01 0.49 4.20 -0.41 -1.80 115.11 118.66 1htt h GLN 23 Ca 0.34 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1htt h GLN 23 Cb 0.22 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1htt h GLN 23 CO -0.19 0.46 -0.01 -0.09 -0.67 0.00 0.00 178.83 178.33 1htt h ARG 24 N 0.25 -0.02 -0.86 1.46 9.65 -1.17 -1.76 114.38 121.94 1htt h ARG 24 Ca 0.05 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1htt h ARG 24 Cb 0.48 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.03 1htt h ARG 24 CO 0.03 0.43 0.56 0.82 2.80 0.00 0.00 179.97 184.61 1htt h ILE 25 N -0.47 1.23 -0.47 1.20 2.04 -1.40 -2.21 117.51 117.43 1htt h ILE 25 Ca -0.00 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 1htt h ILE 25 Cb 0.46 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1htt h ILE 25 CO 0.00 0.22 0.04 -0.33 0.00 0.00 0.00 178.15 178.09 1htt h GLU 26 N 1.17 0.80 -0.83 2.37 5.08 -1.28 -2.04 114.58 119.85 1htt h GLU 26 Ca 0.31 -0.23 0.08 0.00 -1.00 0.00 0.00 59.36 58.52 1htt h GLU 26 Cb -0.11 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 28.99 1htt h GLU 26 CO -0.07 0.83 0.50 0.78 -1.00 0.00 0.00 179.01 180.05 1htt h GLY 27 N 0.66 1.28 0.98 -3.84 0.00 -0.99 0.04 103.07 101.21 1htt h GLY 27 Ca 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1htt h GLY 27 CO 0.02 0.19 0.28 -0.84 0.00 0.00 0.00 176.54 176.18 1htt h THR 28 N 0.86 1.16 -0.45 4.70 2.02 -1.11 -1.74 112.91 118.37 1htt h THR 28 Ca 0.38 -0.39 -0.14 0.00 0.77 0.00 0.00 66.41 67.03 1htt h THR 28 Cb 0.28 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1htt h THR 28 CO -0.21 0.17 -0.27 -0.07 0.37 0.00 0.00 175.52 175.50 1htt h LEU 29 N 0.65 1.00 -0.90 2.58 3.38 -0.43 -1.96 115.31 119.63 1htt h LEU 29 Ca 0.17 -0.41 -0.11 0.00 0.09 0.00 0.00 57.88 57.62 1htt h LEU 29 Cb 0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1htt h LEU 29 CO -0.03 1.20 -0.49 0.11 0.09 0.00 0.00 178.44 179.32 1htt h LYS 30 N 0.82 0.15 0.05 1.13 1.57 -0.98 -1.87 116.57 117.43 1htt h LYS 30 Ca 0.09 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1htt h LYS 30 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1htt h LYS 30 CO 0.08 0.61 -0.02 -0.97 -0.57 0.00 0.00 179.45 178.57 1htt h ASN 31 N 0.12 -0.05 -0.03 0.86 -0.73 -0.92 -0.31 115.58 114.51 1htt h ASN 31 Ca 0.00 -0.29 0.01 0.00 1.87 0.00 0.00 56.30 57.89 1htt h ASN 31 Cb 0.91 0.01 -0.00 0.00 0.27 0.00 0.00 38.32 39.51 1htt h ASN 31 CO 0.07 0.27 0.02 0.58 -0.37 0.00 0.00 177.43 178.00 1htt h VAL 32 N -0.38 0.82 0.02 2.57 2.07 -1.27 -0.97 116.25 119.11 1htt h VAL 32 Ca -0.01 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.27 1htt h VAL 32 Cb 0.34 0.98 0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1htt h VAL 32 CO 0.01 0.00 -1.00 -0.07 0.02 0.00 0.00 177.57 176.53 1htt h LEU 33 N 0.00 0.59 -0.44 2.57 3.38 -0.95 -3.25 115.31 117.21 1htt h LEU 33 Ca 0.01 -0.49 0.03 0.00 0.09 0.00 0.00 57.88 57.53 1htt h LEU 33 Cb 0.06 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1htt h LEU 33 CO -0.00 1.30 0.23 1.23 0.09 0.00 0.00 178.44 181.29 1htt h GLY 34 N 1.11 0.61 2.00 0.83 0.00 0.06 -2.35 103.07 105.33 1htt h GLY 34 Ca -0.10 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1htt h GLY 34 CO 0.18 0.12 0.00 1.48 0.00 0.00 0.00 176.54 178.32 1htt h SER 35 N 0.46 0.00 0.06 0.19 4.64 -1.26 0.12 113.55 117.76 1htt h SER 35 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1htt h SER 35 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1htt h SER 35 CO -0.12 0.00 -0.13 -1.22 -0.87 0.00 0.00 176.83 174.49 1htt n TYR 36 N -2.67 0.00 -1.44 4.77 4.02 -0.91 -4.98 117.16 115.95 1htt n TYR 36 Ca -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.88 1htt n TYR 36 Cb 0.15 -0.04 -0.00 0.00 -0.02 0.00 0.00 39.34 39.43 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 1.28 0.39 3.71 2.72 0.00 0.43 -5.03 105.19 108.69 1htt n GLY 37 Ca 0.15 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.02 3.53 0.30 1.61 1.51 -1.04 -4.91 117.35 116.32 1htt s TYR 38 Ca 0.00 1.08 -0.13 0.00 -1.01 0.00 0.00 57.07 57.00 1htt s TYR 38 Cb 0.00 -2.71 -0.08 0.00 -0.11 0.00 0.00 41.96 39.05 1htt s TYR 38 CO 0.00 0.08 0.69 -1.12 -1.11 0.00 0.00 175.55 174.09 1htt s SER 39 N 0.79 6.72 0.12 2.29 0.01 -0.48 -4.60 113.70 118.54 1htt s SER 39 Ca 0.32 1.17 -0.23 0.00 1.31 0.00 0.00 55.95 58.52 1htt s SER 39 Cb -0.16 -2.33 -0.07 0.00 0.21 0.00 0.00 66.02 63.67 1htt s SER 39 CO 0.14 -0.18 0.71 -0.70 0.41 0.00 0.00 173.24 173.63 1htt s GLU 40 N -2.99 4.45 -0.06 12.44 2.12 -1.26 -1.20 118.70 132.20 1htt s GLU 40 Ca 0.52 1.02 0.04 0.00 0.36 0.00 0.00 54.97 56.91 1htt s GLU 40 Cb -0.10 -3.27 0.00 0.00 0.26 0.00 0.00 34.13 31.02 1htt s GLU 40 CO 0.19 0.54 -0.17 -1.50 -0.54 0.00 0.00 175.26 173.78 1htt s ILE 41 N -0.95 1.50 -0.20 -3.70 2.07 -0.77 -4.90 121.20 114.25 1htt s ILE 41 Ca 0.34 -0.72 -0.05 0.00 -1.41 0.00 0.00 60.65 58.80 1htt s ILE 41 Cb -0.22 -1.32 -0.03 0.00 0.13 0.00 0.00 42.46 41.03 1htt s ILE 41 CO 0.24 0.43 0.01 -0.13 -1.91 0.00 0.00 174.94 173.58 1htt s ARG 42 N 0.31 3.66 0.14 3.50 0.52 -1.26 -4.53 118.95 121.30 1htt s ARG 42 Ca -0.11 -0.50 0.11 0.00 -0.52 0.00 0.00 55.73 54.71 1htt s ARG 42 Cb -0.15 -3.11 -0.04 0.00 0.52 0.00 0.00 34.95 32.17 1htt s ARG 42 CO 0.04 0.03 -0.26 -0.51 0.02 0.00 0.00 175.30 174.63 1htt s LEU 43 N 0.96 2.37 0.57 2.53 1.43 -1.26 -5.12 118.68 120.16 1htt s LEU 43 Ca 0.02 -0.77 -0.21 0.00 -1.03 0.00 0.00 54.13 52.15 1htt s LEU 43 Cb -0.14 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 1htt s LEU 43 CO 0.02 0.17 1.30 -2.65 0.23 0.00 0.00 176.35 175.42 1htt n PRO 44 N 0.75 1.47 0.15 1.29 -0.02 -1.26 -4.93 135.00 132.45 1htt n PRO 44 Ca -0.17 0.55 0.01 0.00 -2.02 0.00 0.00 63.50 61.87 1htt n PRO 44 Cb 0.54 -2.52 0.24 0.00 -0.02 0.00 0.00 33.50 31.74 1htt n PRO 44 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1htt h ILE 45 N 1.12 1.33 -3.54 4.25 1.08 -1.96 -3.44 117.51 116.34 1htt h ILE 45 Ca -0.50 -1.85 -0.68 0.00 -0.39 0.00 0.00 64.86 61.44 1htt h ILE 45 Cb 1.32 2.01 -0.30 0.00 -3.07 0.00 0.00 36.82 36.78 1htt h ILE 45 CO 0.55 0.52 -0.84 -0.69 -0.69 0.00 0.00 178.15 177.01 1htt s VAL 46 N -3.74 2.44 0.42 1.67 1.01 -1.26 -2.04 120.40 118.89 1htt s VAL 46 Ca -0.01 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1htt s VAL 46 Cb 0.13 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1htt s VAL 46 CO 0.74 0.55 0.10 -1.61 0.00 0.00 0.00 175.10 174.88 1htt s GLU 47 N 0.14 1.94 0.22 2.72 0.41 -0.77 -4.97 118.70 118.39 1htt s GLU 47 Ca -0.11 -2.18 -0.30 0.00 -0.41 0.00 0.00 54.97 51.97 1htt s GLU 47 Cb -0.16 -0.81 -0.08 0.00 -1.78 0.00 0.00 34.13 31.29 1htt s GLU 47 CO 0.06 -0.42 1.08 -0.65 -0.49 0.00 0.00 175.26 174.85 1htt s GLN 48 N -3.76 4.64 0.37 1.61 -0.21 -1.26 -1.08 119.66 119.97 1htt s GLN 48 Ca 0.22 1.72 0.12 0.00 0.02 0.00 0.00 55.36 57.44 1htt s GLN 48 Cb 0.03 -3.25 0.90 0.00 1.00 0.00 0.00 33.01 31.70 1htt s GLN 48 CO 0.13 0.17 1.85 1.15 -2.12 0.00 0.00 175.29 176.46 1htt h THR 49 N 3.46 0.76 0.00 -0.19 2.02 -1.85 -1.97 112.91 115.13 1htt h THR 49 Ca -0.45 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 66.50 1htt h THR 49 Cb 1.21 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1htt h THR 49 CO 0.70 0.11 -0.12 1.55 0.37 0.00 0.00 175.52 178.13 1htt h PRO 50 N 0.60 0.00 -0.32 6.66 0.13 -1.93 -2.36 132.00 134.79 1htt h PRO 50 Ca 0.48 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.65 1htt h PRO 50 Cb 0.91 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.01 1htt h PRO 50 CO -0.22 0.12 0.09 1.25 -0.23 0.00 0.00 178.00 179.01 1htt h LEU 51 N 0.00 0.07 -0.44 1.56 5.85 -1.75 0.38 115.31 120.98 1htt h LEU 51 Ca -0.00 0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.58 1htt h LEU 51 Cb 0.26 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1htt h LEU 51 CO 0.02 0.08 -0.75 -0.26 -0.34 0.00 0.00 178.44 177.19 1htt h PHE 52 N 0.22 0.36 -0.33 1.25 0.04 -1.60 0.69 116.94 117.56 1htt h PHE 52 Ca 0.15 -0.17 -0.08 0.00 2.80 0.00 0.00 57.97 60.67 1htt h PHE 52 Cb 0.13 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 1htt h PHE 52 CO -0.15 0.91 -0.12 0.87 -0.60 0.00 0.00 178.31 179.22 1htt h LYS 53 N 0.17 0.67 -0.11 1.51 1.57 -1.07 -1.54 116.57 117.77 1htt h LYS 53 Ca -0.03 -0.27 -0.22 0.00 -1.87 0.00 0.00 60.65 58.26 1htt h LYS 53 Cb 1.32 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.61 1htt h LYS 53 CO 0.12 0.86 -0.78 -0.09 -0.57 0.00 0.00 179.45 178.99 1htt h ARG 54 N 0.44 0.73 0.00 3.15 2.43 -0.07 -3.02 114.38 118.04 1htt h ARG 54 Ca 0.08 -0.63 -0.03 0.00 -0.81 0.00 0.00 59.98 58.59 1htt h ARG 54 Cb 0.64 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1htt h ARG 54 CO 0.04 1.24 -0.30 0.00 -1.51 0.00 0.00 179.97 179.44 1htt h ALA 55 N 0.50 0.03 -0.47 2.80 0.00 -0.92 -3.40 119.26 117.80 1htt h ALA 55 Ca -0.07 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 1htt h ALA 55 Cb 1.42 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1htt h ALA 55 CO 0.16 0.23 -0.17 0.82 0.00 0.00 0.00 179.25 180.29 1htt h ILE 56 N -1.00 1.27 0.00 0.00 2.04 -1.46 -3.40 117.51 114.95 1htt h ILE 56 Ca -0.04 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.50 1htt h ILE 56 Cb 0.47 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1htt h ILE 56 CO -0.03 0.45 0.00 0.61 0.00 0.00 0.00 178.15 179.19 1htt n GLY 57 N -0.15 3.56 0.21 5.37 0.00 -1.15 -1.26 105.19 111.78 1htt n GLY 57 Ca -0.00 -1.50 -0.08 0.00 0.00 0.00 0.00 46.02 44.44 1htt n GLY 57 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1htt h GLU 58 N 0.00 0.65 -3.29 1.61 4.57 -1.88 -3.28 114.58 112.96 1htt h GLU 58 Ca 0.00 -0.08 -0.79 0.00 -1.18 0.00 0.00 59.36 57.31 1htt h GLU 58 Cb 0.00 -0.12 -0.25 0.00 -0.16 0.00 0.00 28.75 28.22 1htt h GLU 58 CO 0.00 0.52 1.04 1.55 -1.18 0.00 0.00 179.01 180.94 1htt n VAL 59 N -4.67 4.92 -4.00 0.32 3.14 -1.26 -3.98 118.33 112.80 1htt n VAL 59 Ca 0.01 -5.42 -0.09 0.00 -2.96 0.00 0.00 64.34 55.88 1htt n VAL 59 Cb 0.09 -2.26 -0.11 0.00 -1.06 0.00 0.00 33.84 30.51 1htt n VAL 59 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1htt s THR 60 N -1.53 0.13 0.37 1.55 -4.23 -1.24 -5.01 115.64 105.68 1htt s THR 60 Ca 0.34 -1.07 0.05 0.00 -1.18 0.00 0.00 61.69 59.82 1htt s THR 60 Cb 0.03 -0.50 0.27 0.00 1.34 0.00 0.00 72.50 73.64 1htt s THR 60 CO 0.04 -0.59 2.02 0.44 -0.54 0.00 0.00 174.62 175.99 1htt h ASP 61 N 4.36 0.63 0.48 3.99 5.19 -1.91 0.63 116.42 129.78 1htt h ASP 61 Ca -0.32 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.05 1htt h ASP 61 Cb 1.20 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.56 1htt h ASP 61 CO 0.46 0.45 -0.23 0.58 -3.12 0.00 0.00 179.24 177.37 1htt h VAL 62 N 0.74 0.52 0.01 -1.35 2.07 -1.93 0.05 116.25 116.37 1htt h VAL 62 Ca 0.22 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.69 1htt h VAL 62 Cb -0.00 0.52 0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1htt h VAL 62 CO -0.06 0.00 -0.22 0.58 0.02 0.00 0.00 177.57 177.89 1htt h VAL 63 N -0.65 1.60 -0.88 2.57 2.07 -1.74 -0.16 116.25 119.07 1htt h VAL 63 Ca -0.06 -2.07 0.17 0.00 0.82 0.00 0.00 66.70 65.56 1htt h VAL 63 Cb 0.50 2.95 -0.10 0.00 -1.52 0.00 0.00 31.29 33.12 1htt h VAL 63 CO 0.10 0.56 0.45 -0.33 0.02 0.00 0.00 177.57 178.37 1htt h GLU 64 N -0.63 0.56 0.00 1.57 5.08 0.18 -3.39 114.58 117.96 1htt h GLU 64 Ca -0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1htt h GLU 64 Cb 1.04 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1htt h GLU 64 CO 0.04 0.37 0.00 0.36 -1.00 0.00 0.00 179.01 178.79 1htt n LYS 65 N -4.90 0.00 -0.00 2.33 0.00 -0.02 -4.99 118.16 110.57 1htt n LYS 65 Ca 0.19 -0.22 0.03 0.00 -0.00 0.00 0.00 58.31 58.31 1htt n LYS 65 Cb 0.51 -0.38 -0.04 0.00 -0.00 0.00 0.00 35.03 35.11 1htt n LYS 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1htt n GLU 66 N 0.00 0.26 -2.25 -1.58 1.02 -0.10 -4.78 120.64 113.21 1htt n GLU 66 Ca 0.00 -0.05 -0.35 0.00 -0.02 0.00 0.00 57.16 56.74 1htt n GLU 66 Cb 0.39 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 1htt n GLU 66 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1htt s MET 67 N -2.39 3.40 -0.61 3.49 -1.94 -1.03 -0.21 119.30 120.02 1htt s MET 67 Ca -0.02 1.64 -0.16 0.00 -1.71 0.00 0.00 55.69 55.44 1htt s MET 67 Cb 0.04 -2.06 0.14 0.00 2.01 0.00 0.00 34.83 34.96 1htt s MET 67 CO 0.24 -0.82 0.61 0.71 -0.01 0.00 0.00 175.02 175.74 1htt s TYR 68 N -1.73 3.28 0.12 -0.03 1.51 -1.26 -4.80 117.35 114.44 1htt s TYR 68 Ca 0.72 -1.34 0.06 0.00 -1.01 0.00 0.00 57.07 55.50 1htt s TYR 68 Cb -0.25 -3.86 -0.04 0.00 -0.11 0.00 0.00 41.96 37.70 1htt s TYR 68 CO 0.28 -1.09 -0.01 0.99 -1.11 0.00 0.00 175.55 174.61 1htt s THR 69 N 1.63 3.82 0.15 -0.71 2.01 -1.26 -1.32 115.64 119.95 1htt s THR 69 Ca 0.08 -1.19 -0.23 0.00 0.31 0.00 0.00 61.69 60.66 1htt s THR 69 Cb -0.25 -2.85 0.07 0.00 0.01 0.00 0.00 72.50 69.48 1htt s THR 69 CO 0.01 0.03 0.60 0.72 -0.69 0.00 0.00 174.62 175.30 1htt s PHE 70 N -1.45 -0.54 -0.11 4.92 -0.71 -0.14 -4.99 117.98 114.98 1htt s PHE 70 Ca 0.26 0.35 -0.17 0.00 -1.04 0.00 0.00 56.93 56.32 1htt s PHE 70 Cb -0.11 0.55 -0.04 0.00 -1.21 0.00 0.00 43.02 42.21 1htt s PHE 70 CO 0.18 -0.84 0.45 -1.21 -1.34 0.00 0.00 175.22 172.46 1htt s GLU 71 N -3.67 4.29 0.57 1.99 2.02 -1.26 -0.51 118.70 122.12 1htt s GLU 71 Ca 0.01 0.41 -0.05 0.00 0.02 0.00 0.00 54.97 55.36 1htt s GLU 71 Cb -0.01 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.82 1htt s GLU 71 CO -0.12 0.23 0.87 0.34 0.02 0.00 0.00 175.26 176.59 1htt s ASP 72 N 0.40 5.66 0.00 -0.19 2.15 0.13 -4.93 116.67 119.89 1htt s ASP 72 Ca 0.25 0.67 0.00 0.00 0.43 0.00 0.00 52.55 53.90 1htt s ASP 72 Cb -0.15 -1.71 0.00 0.00 -0.30 0.00 0.00 42.92 40.76 1htt s ASP 72 CO 0.10 -0.99 0.38 0.54 -0.17 0.00 0.00 175.17 175.03 1htt n ARG 73 N -2.51 0.00 -0.83 4.34 3.00 -1.26 -0.40 116.66 119.01 1htt n ARG 73 Ca 0.04 0.00 0.05 0.00 -0.01 0.00 0.00 57.85 57.93 1htt n ARG 73 Cb 0.57 -1.49 0.11 0.00 0.00 0.00 0.00 32.46 31.65 1htt n ARG 73 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1htt n ASN 74 N -0.88 1.33 0.00 0.55 5.15 -1.26 -4.99 115.26 115.16 1htt n ASN 74 Ca 0.00 -2.88 0.00 0.00 -0.60 0.00 0.00 54.58 51.10 1htt n ASN 74 Cb 0.00 -0.39 0.00 0.00 -0.53 0.00 0.00 39.78 38.86 1htt n ASN 74 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1htt n GLY 75 N -0.45 2.56 3.63 8.20 0.00 0.46 -4.98 105.19 114.61 1htt n GLY 75 Ca 0.12 -0.03 -0.50 0.00 0.00 0.00 0.00 46.02 45.60 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 0.77 2.34 -4.77 1.61 9.92 -1.26 -4.47 116.55 120.70 1htt n ASP 76 Ca 0.00 1.09 -0.39 0.00 -0.53 0.00 0.00 54.79 54.96 1htt n ASP 76 Cb 0.00 -1.28 -0.06 0.00 -0.64 0.00 0.00 41.12 39.14 1htt n ASP 76 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1htt s SER 77 N 1.09 7.31 0.02 -2.24 1.04 -1.26 0.18 113.70 119.84 1htt s SER 77 Ca 0.84 1.55 0.08 0.00 0.48 0.00 0.00 55.95 58.90 1htt s SER 77 Cb -0.85 -2.48 -0.02 0.00 0.10 0.00 0.00 66.02 62.77 1htt s SER 77 CO 0.45 0.16 -0.23 -0.76 0.98 0.00 0.00 173.24 173.85 1htt s LEU 78 N -0.84 2.12 -0.05 2.42 1.43 0.33 -3.21 118.68 120.89 1htt s LEU 78 Ca 0.36 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 1htt s LEU 78 Cb -0.22 -1.11 0.01 0.00 0.03 0.00 0.00 46.19 44.89 1htt s LEU 78 CO 0.25 0.23 -0.13 -0.89 0.23 0.00 0.00 176.35 176.03 1htt s THR 79 N -0.70 1.15 -0.07 5.49 2.01 -0.24 -0.96 115.64 122.31 1htt s THR 79 Ca 0.09 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.27 1htt s THR 79 Cb -0.09 -1.02 -0.05 0.00 0.01 0.00 0.00 72.50 71.35 1htt s THR 79 CO 0.01 0.35 1.63 -0.76 -0.69 0.00 0.00 174.62 175.16 1htt s LEU 80 N 0.36 4.28 0.16 4.42 1.02 -0.43 -1.85 118.68 126.64 1htt s LEU 80 Ca -0.09 2.15 -0.34 0.00 0.02 0.00 0.00 54.13 55.88 1htt s LEU 80 Cb -0.13 -3.53 -0.16 0.00 0.02 0.00 0.00 46.19 42.39 1htt s LEU 80 CO 0.03 -0.95 1.26 -2.11 0.02 0.00 0.00 176.35 174.60 1htt n ARG 81 N 7.14 1.30 -0.00 1.70 1.85 -0.87 -4.28 116.66 123.51 1htt n ARG 81 Ca 0.17 0.46 0.11 0.00 -1.00 0.00 0.00 57.85 57.59 1htt n ARG 81 Cb 0.43 -2.03 -0.14 0.00 -1.05 0.00 0.00 32.46 29.67 1htt n ARG 81 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1htt n PRO 82 N 2.07 0.34 -3.83 2.89 -0.04 -1.25 -0.17 135.00 135.01 1htt n PRO 82 Ca 0.16 -0.10 -0.09 0.00 -0.04 0.00 0.00 63.50 63.43 1htt n PRO 82 Cb 0.24 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 32.16 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 -3.27 1.58 0.00 0.54 4.04 -1.26 -4.56 118.70 115.76 1htt s GLU 83 Ca -0.00 -0.98 0.08 0.00 0.04 0.00 0.00 54.97 54.11 1htt s GLU 83 Cb 0.15 0.55 -0.06 0.00 0.02 0.00 0.00 34.13 34.79 1htt s GLU 83 CO 0.89 -0.69 0.43 0.41 -1.84 0.00 0.00 175.26 174.46 1htt n GLY 84 N -0.40 0.08 0.12 -3.83 0.00 -1.26 -4.62 105.19 95.28 1htt n GLY 84 Ca -0.06 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 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 0.33 0.98 -0.54 2.61 2.02 -1.99 -1.96 112.91 114.36 1htt h THR 85 Ca 0.00 -0.08 0.07 0.00 0.77 0.00 0.00 66.41 67.17 1htt h THR 85 Cb 0.23 0.72 -0.06 0.00 -1.74 0.00 0.00 68.15 67.30 1htt h THR 85 CO 0.00 0.04 0.22 0.00 0.37 0.00 0.00 175.52 176.15 1htt h ALA 86 N 1.13 0.68 -0.71 6.16 0.00 -1.97 -0.26 119.26 124.30 1htt h ALA 86 Ca 0.10 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1htt h ALA 86 Cb 0.04 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1htt h ALA 86 CO -0.08 -0.17 0.44 0.78 0.00 0.00 0.00 179.25 180.21 1htt h GLY 87 N 0.41 1.02 0.77 0.00 0.00 -1.79 -1.09 103.07 102.39 1htt h GLY 87 Ca 0.26 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 1htt h GLY 87 CO -0.24 0.39 -0.29 0.00 0.00 0.00 0.00 176.54 176.40 1htt h VAL 89 N -1.04 0.55 -0.50 0.00 2.07 -1.02 -0.38 116.25 115.92 1htt h VAL 89 Ca -0.08 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.42 1htt h VAL 89 Cb 0.67 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1htt h VAL 89 CO 0.13 0.04 0.21 -0.09 0.02 0.00 0.00 177.57 177.89 1htt h ARG 90 N 0.22 0.41 -0.02 1.57 2.43 -1.08 0.15 114.38 118.06 1htt h ARG 90 Ca 0.36 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.39 1htt h ARG 90 Cb 0.58 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1htt h ARG 90 CO -0.48 0.27 -0.54 0.00 -1.51 0.00 0.00 179.97 177.71 1htt h ALA 91 N 1.30 1.07 -0.08 2.80 0.00 -0.53 -0.28 119.26 123.55 1htt h ALA 91 Ca 0.23 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1htt h ALA 91 Cb 0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1htt h ALA 91 CO -0.20 0.67 -0.01 0.78 0.00 0.00 0.00 179.25 180.50 1htt h GLY 92 N 1.57 0.16 0.92 0.00 0.00 -0.01 -0.70 103.07 105.01 1htt h GLY 92 Ca -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1htt h GLY 92 CO 0.07 0.11 -0.28 -2.22 0.00 0.00 0.00 176.54 174.23 1htt h ILE 93 N -0.16 0.41 -0.91 2.60 2.04 -0.72 0.07 117.51 120.83 1htt h ILE 93 Ca 0.02 -0.13 0.16 0.00 1.00 0.00 0.00 64.86 65.91 1htt h ILE 93 Cb 0.38 0.46 -0.10 0.00 -0.74 0.00 0.00 36.82 36.82 1htt h ILE 93 CO 0.01 0.02 0.50 -0.08 0.00 0.00 0.00 178.15 178.60 1htt h GLU 94 N -0.86 0.68 0.00 2.37 4.81 -1.04 -2.55 114.58 117.99 1htt h GLU 94 Ca -0.08 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1htt h GLU 94 Cb 0.63 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1htt h GLU 94 CO 0.13 0.45 -0.69 0.72 -0.73 0.00 0.00 179.01 178.89 1htt n HIS 95 N -4.82 0.25 -0.60 0.92 8.25 -0.27 -4.95 115.22 113.99 1htt n HIS 95 Ca 0.19 0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 1htt n HIS 95 Cb 0.47 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 31.16 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 1.41 0.63 0.03 -1.41 0.00 -0.88 -4.98 105.19 99.99 1htt n GLY 96 Ca 0.04 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 45.53 1htt n GLY 96 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1htt n LEU 97 N 0.00 0.36 -0.00 0.99 4.77 -0.04 -4.30 117.00 118.77 1htt n LEU 97 Ca 0.00 0.37 0.06 0.00 -0.03 0.00 0.00 56.01 56.41 1htt n LEU 97 Cb 0.00 -0.37 -0.08 0.00 -2.33 0.00 0.00 43.42 40.64 1htt n LEU 97 CO 0.00 -0.02 -0.49 0.18 -1.33 0.00 0.00 177.39 175.73 1htt n LEU 98 N -1.73 0.13 -4.69 2.23 4.77 -1.23 -4.74 117.00 111.74 1htt n LEU 98 Ca 0.06 -0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.50 1htt n LEU 98 Cb 0.37 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1htt n LEU 98 CO 0.31 0.03 0.85 -0.47 -1.33 0.00 0.00 177.39 176.78 1htt s TYR 99 N -2.63 3.40 -1.52 -1.77 5.04 -1.26 -3.22 117.35 115.39 1htt s TYR 99 Ca -0.02 1.44 -0.13 0.00 -2.44 0.00 0.00 57.07 55.91 1htt s TYR 99 Cb 0.08 -3.29 0.08 0.00 0.35 0.00 0.00 41.96 39.18 1htt s TYR 99 CO 0.48 -0.70 0.98 -1.71 -1.34 0.00 0.00 175.55 173.26 1htt n ASN 100 N 4.88 -4.97 -4.03 4.32 5.15 -1.26 -4.97 115.26 114.38 1htt n ASN 100 Ca 0.09 -0.74 -0.07 0.00 -0.60 0.00 0.00 54.58 53.26 1htt n ASN 100 Cb 0.48 -3.97 -0.09 0.00 -0.53 0.00 0.00 39.78 35.67 1htt n ASN 100 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1htt s GLN 101 N -6.56 0.67 -0.06 1.20 -0.21 -1.20 -5.15 119.66 108.35 1htt s GLN 101 Ca 0.65 -1.15 0.04 0.00 0.02 0.00 0.00 55.36 54.92 1htt s GLN 101 Cb -0.32 0.24 -0.02 0.00 1.00 0.00 0.00 33.01 33.91 1htt s GLN 101 CO 0.80 -0.15 -0.18 -2.00 -2.12 0.00 0.00 175.29 171.64 1htt s GLU 102 N -3.90 2.64 -0.01 2.91 2.12 -1.25 -4.20 118.70 117.00 1htt s GLU 102 Ca 0.06 -0.77 0.01 0.00 0.36 0.00 0.00 54.97 54.64 1htt s GLU 102 Cb 0.07 -2.34 0.01 0.00 0.26 0.00 0.00 34.13 32.13 1htt s GLU 102 CO -0.10 0.48 -0.04 -0.65 -0.54 0.00 0.00 175.26 174.40 1htt s GLN 103 N -0.38 0.49 -0.30 4.30 -1.52 -0.39 -4.97 119.66 116.89 1htt s GLN 103 Ca 0.03 -0.14 0.01 0.00 -1.95 0.00 0.00 55.36 53.32 1htt s GLN 103 Cb -0.12 -0.50 0.09 0.00 -0.22 0.00 0.00 33.01 32.25 1htt s GLN 103 CO 0.02 0.05 0.04 1.03 -0.25 0.00 0.00 175.29 176.18 1htt s ARG 104 N 0.22 1.19 0.14 2.91 0.52 -1.26 -1.21 118.95 121.45 1htt s ARG 104 Ca -0.02 -1.29 0.06 0.00 -0.52 0.00 0.00 55.73 53.96 1htt s ARG 104 Cb -0.06 -2.53 -0.04 0.00 0.52 0.00 0.00 34.95 32.84 1htt s ARG 104 CO -0.00 -0.86 -0.14 -0.51 0.02 0.00 0.00 175.30 173.81 1htt s LEU 105 N 1.34 2.45 0.06 2.53 1.43 0.09 -1.38 118.68 125.19 1htt s LEU 105 Ca 0.06 -0.87 -0.01 0.00 -1.03 0.00 0.00 54.13 52.27 1htt s LEU 105 Cb -0.18 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 1htt s LEU 105 CO -0.14 -0.17 -0.01 -1.66 0.23 0.00 0.00 176.35 174.60 1htt s TRP 106 N -2.42 0.52 -0.02 0.29 1.48 -0.34 -1.07 118.94 117.38 1htt s TRP 106 Ca 0.12 -1.05 -0.15 0.00 -1.06 0.00 0.00 56.10 53.96 1htt s TRP 106 Cb -0.03 -0.38 0.02 0.00 -1.16 0.00 0.00 33.47 31.92 1htt s TRP 106 CO 0.03 -0.40 0.31 1.52 -4.06 0.00 0.00 176.95 174.36 1htt s TYR 107 N -3.92 -0.19 -0.01 1.66 -0.85 0.19 -1.84 117.35 112.39 1htt s TYR 107 Ca 0.08 0.31 0.01 0.00 -0.52 0.00 0.00 57.07 56.95 1htt s TYR 107 Cb 0.08 0.10 0.00 0.00 0.38 0.00 0.00 41.96 42.52 1htt s TYR 107 CO -0.09 -0.38 -0.04 -1.50 -1.52 0.00 0.00 175.55 172.02 1htt s ILE 108 N -1.22 0.35 -2.63 -3.49 1.10 -1.26 -0.76 121.20 113.29 1htt s ILE 108 Ca -0.13 -0.16 0.00 0.00 -0.51 0.00 0.00 60.65 59.85 1htt s ILE 108 Cb -0.05 -0.32 0.00 0.00 0.15 0.00 0.00 42.46 42.24 1htt s ILE 108 CO 0.04 0.11 0.00 0.61 -2.11 0.00 0.00 174.94 173.59 1htt n GLY 109 N 3.15 -1.79 3.79 1.50 0.00 -0.89 -5.00 105.19 105.94 1htt n GLY 109 Ca -0.15 -1.12 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.65 4.43 0.28 1.61 0.04 -1.26 -1.30 135.00 137.15 1htt s PRO 110 Ca 0.00 1.06 0.10 0.00 0.04 0.00 0.00 61.00 62.21 1htt s PRO 110 Cb 0.00 -3.01 -0.05 0.00 0.04 0.00 0.00 34.50 31.48 1htt s PRO 110 CO 0.00 0.44 -0.08 -1.64 0.04 0.00 0.00 177.00 175.77 1htt s MET 111 N -1.67 2.04 -0.05 4.56 -1.94 0.45 -4.91 119.30 117.78 1htt s MET 111 Ca 0.42 -1.58 0.03 0.00 -1.71 0.00 0.00 55.69 52.84 1htt s MET 111 Cb -0.19 -1.99 0.01 0.00 2.01 0.00 0.00 34.83 34.66 1htt s MET 111 CO 0.23 0.33 -0.11 -0.06 -0.01 0.00 0.00 175.02 175.40 1htt s PHE 112 N -2.41 1.29 -0.09 -0.03 0.40 0.77 -2.18 117.98 115.72 1htt s PHE 112 Ca 0.31 -0.41 -0.05 0.00 -0.60 0.00 0.00 56.93 56.18 1htt s PHE 112 Cb -0.05 -0.93 0.04 0.00 0.51 0.00 0.00 43.02 42.58 1htt s PHE 112 CO 0.18 -0.20 0.21 1.03 0.70 0.00 0.00 175.22 177.14 1htt s ARG 113 N 0.44 0.18 -1.34 0.44 0.52 0.10 -3.89 118.95 115.40 1htt s ARG 113 Ca -0.09 0.43 -0.16 0.00 -0.52 0.00 0.00 55.73 55.38 1htt s ARG 113 Cb -0.13 -0.08 0.07 0.00 0.52 0.00 0.00 34.95 35.33 1htt s ARG 113 CO 0.02 -0.13 1.85 1.58 0.02 0.00 0.00 175.30 178.64 1htt n HIS 114 N 3.93 4.33 -4.27 -0.53 -0.00 0.71 -3.91 115.22 115.49 1htt n HIS 114 Ca -0.23 -2.91 -0.24 0.00 -0.00 0.00 0.00 57.72 54.34 1htt n HIS 114 Cb 0.54 -2.56 -0.07 0.00 -0.00 0.00 0.00 29.99 27.89 1htt n HIS 114 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1htt s GLU 115 N 3.64 2.33 -0.05 1.57 2.02 -1.26 -4.65 118.70 122.30 1htt s GLU 115 Ca 0.51 -1.34 -0.30 0.00 0.02 0.00 0.00 54.97 53.86 1htt s GLU 115 Cb 0.06 -2.21 -0.06 0.00 0.10 0.00 0.00 34.13 32.03 1htt s GLU 115 CO 0.03 0.39 1.64 0.50 0.02 0.00 0.00 175.26 177.84 1htt s ARG 116 N -3.51 4.19 0.11 1.61 3.00 -1.26 -4.70 118.95 118.38 1htt s ARG 116 Ca 0.30 2.18 -0.31 0.00 -1.00 0.00 0.00 55.73 56.91 1htt s ARG 116 Cb -0.07 -3.96 -0.09 0.00 0.00 0.00 0.00 34.95 30.84 1htt s ARG 116 CO 0.20 -0.83 1.52 -2.14 0.00 0.00 0.00 175.30 174.04 1htt s PRO 117 N 3.93 4.25 0.02 5.12 0.02 -1.26 -4.90 135.00 142.18 1htt s PRO 117 Ca 0.73 2.23 -0.02 0.00 0.02 0.00 0.00 61.00 63.96 1htt s PRO 117 Cb -0.33 -3.34 -0.02 0.00 0.02 0.00 0.00 34.50 30.83 1htt s PRO 117 CO 0.29 -0.59 0.02 1.14 -0.33 0.00 0.00 177.00 177.53 1htt s GLN 118 N 1.64 0.39 0.03 5.54 0.00 -1.14 -5.04 119.66 121.09 1htt s GLN 118 Ca 0.69 -0.62 -0.03 0.00 -0.00 0.00 0.00 55.36 55.39 1htt s GLN 118 Cb -0.39 0.15 0.03 0.00 0.00 0.00 0.00 33.01 32.79 1htt s GLN 118 CO 0.31 -0.08 0.24 1.17 0.00 0.00 0.00 175.29 176.93 1htt n LYS 119 N 1.39 -0.04 0.09 9.60 4.81 -1.26 0.20 118.16 132.94 1htt n LYS 119 Ca -0.23 0.24 -0.13 0.00 -0.87 0.00 0.00 58.31 57.32 1htt n LYS 119 Cb 0.56 -0.35 -0.13 0.00 0.02 0.00 0.00 35.03 35.13 1htt n LYS 119 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1htt h GLY 120 N 0.00 0.20 -5.39 3.14 0.00 -1.99 -3.46 103.07 95.57 1htt h GLY 120 Ca 0.05 -0.50 -0.60 0.00 0.00 0.00 0.00 47.33 46.27 1htt h GLY 120 CO -0.15 0.44 -0.24 0.50 0.00 0.00 0.00 176.54 177.08 1htt s ARG 121 N -2.67 4.05 0.21 4.80 1.81 0.13 -4.74 118.95 122.53 1htt s ARG 121 Ca -0.02 0.29 0.03 0.00 -1.72 0.00 0.00 55.73 54.31 1htt s ARG 121 Cb 0.08 -3.31 -0.05 0.00 -0.45 0.00 0.00 34.95 31.22 1htt s ARG 121 CO 0.86 0.48 0.01 0.71 -0.68 0.00 0.00 175.30 176.68 1htt s TYR 122 N -0.35 1.41 -0.02 -0.53 2.02 -1.26 -2.89 117.35 115.73 1htt s TYR 122 Ca 0.22 -0.99 -0.07 0.00 -0.37 0.00 0.00 57.07 55.85 1htt s TYR 122 Cb -0.15 -0.81 -0.29 0.00 -0.40 0.00 0.00 41.96 40.31 1htt s TYR 122 CO 0.10 -0.15 0.77 0.00 -1.57 0.00 0.00 175.55 174.69 1htt h ARG 123 N 2.56 0.33 -4.98 -0.62 2.47 -1.49 -3.41 114.38 109.23 1htt h ARG 123 Ca -0.38 -0.56 -0.67 0.00 -1.26 0.00 0.00 59.98 57.12 1htt h ARG 123 Cb 1.22 0.21 -0.35 0.00 -1.65 0.00 0.00 29.97 29.39 1htt h ARG 123 CO 0.63 1.21 -0.82 -1.14 0.56 0.00 0.00 179.97 180.41 1htt s GLN 124 N -2.60 2.76 0.25 0.04 0.74 -1.17 -0.72 119.66 118.96 1htt s GLN 124 Ca -0.12 -1.00 0.02 0.00 0.05 0.00 0.00 55.36 54.31 1htt s GLN 124 Cb 0.06 -2.73 -0.05 0.00 1.10 0.00 0.00 33.01 31.39 1htt s GLN 124 CO 0.86 -0.34 0.06 -0.59 -0.55 0.00 0.00 175.29 174.73 1htt s PHE 125 N 1.24 1.57 -0.02 1.67 -0.12 -0.93 -4.57 117.98 116.83 1htt s PHE 125 Ca 0.00 -1.09 0.06 0.00 -0.05 0.00 0.00 56.93 55.85 1htt s PHE 125 Cb -0.16 -0.94 -0.01 0.00 -0.63 0.00 0.00 43.02 41.28 1htt s PHE 125 CO -0.09 -0.22 -0.18 -1.01 -0.05 0.00 0.00 175.22 173.66 1htt s HIS 126 N -3.62 1.64 0.11 3.49 3.76 -1.26 -0.41 115.29 118.99 1htt s HIS 126 Ca 0.35 -0.32 0.09 0.00 -0.15 0.00 0.00 55.06 55.02 1htt s HIS 126 Cb 0.07 -1.06 -0.04 0.00 1.11 0.00 0.00 32.58 32.67 1htt s HIS 126 CO 0.12 -0.04 -0.22 -0.65 -0.85 0.00 0.00 174.74 173.10 1htt s GLN 127 N -0.39 1.18 -0.08 1.40 -0.21 -0.42 -1.93 119.66 119.20 1htt s GLN 127 Ca 0.06 -1.20 0.03 0.00 0.02 0.00 0.00 55.36 54.27 1htt s GLN 127 Cb -0.07 -1.48 -0.02 0.00 1.00 0.00 0.00 33.01 32.44 1htt s GLN 127 CO -0.00 0.34 -0.18 -1.17 -2.12 0.00 0.00 175.29 172.16 1htt s LEU 128 N -1.96 2.49 0.08 2.90 0.20 -1.04 -2.11 118.68 119.25 1htt s LEU 128 Ca 0.08 -0.36 -0.07 0.00 0.69 0.00 0.00 54.13 54.47 1htt s LEU 128 Cb -0.10 -1.51 -0.01 0.00 -0.43 0.00 0.00 46.19 44.14 1htt s LEU 128 CO 0.05 0.24 0.15 -0.83 -0.29 0.00 0.00 176.35 175.67 1htt s GLY 129 N -0.11 0.15 0.06 7.98 0.00 0.06 -1.16 107.32 114.30 1htt s GLY 129 Ca -0.03 -0.71 0.05 0.00 0.00 0.00 0.00 44.72 44.03 1htt s GLY 129 CO 0.04 -0.88 -0.14 0.00 0.00 0.00 0.00 173.10 172.11 1htt s GLU 131 N -1.56 0.18 -0.09 0.00 0.41 -0.23 -1.63 118.70 115.77 1htt s GLU 131 Ca -0.01 0.58 0.04 0.00 -0.41 0.00 0.00 54.97 55.17 1htt s GLU 131 Cb -0.09 -0.11 0.00 0.00 -1.78 0.00 0.00 34.13 32.15 1htt s GLU 131 CO 0.02 -0.20 -0.21 0.54 -0.49 0.00 0.00 175.26 174.92 1htt s VAL 132 N 1.60 1.84 -0.10 2.63 0.11 -0.53 -0.73 120.40 125.21 1htt s VAL 132 Ca -0.06 -0.89 0.03 0.00 -2.93 0.00 0.00 61.98 58.13 1htt s VAL 132 Cb -0.11 -1.60 -0.00 0.00 -1.53 0.00 0.00 36.38 33.14 1htt s VAL 132 CO -0.08 0.51 -0.22 -0.36 -3.33 0.00 0.00 175.10 171.62 1htt s PHE 133 N 0.40 2.60 0.00 1.54 0.08 -0.35 -2.20 117.98 120.04 1htt s PHE 133 Ca -0.17 -0.97 0.00 0.00 0.12 0.00 0.00 56.93 55.91 1htt s PHE 133 Cb -0.17 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.55 1htt s PHE 133 CO 0.08 -0.38 0.00 0.41 -0.10 0.00 0.00 175.22 175.23 1htt n GLY 134 N 3.49 1.49 3.50 4.36 0.00 0.21 -1.26 105.19 116.98 1htt n GLY 134 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 3.17 -0.25 0.99 2.01 -1.26 -4.82 118.68 118.52 1htt s LEU 135 Ca 0.00 -0.13 -0.09 0.00 0.01 0.00 0.00 54.13 53.92 1htt s LEU 135 Cb 0.00 -1.74 -0.12 0.00 0.01 0.00 0.00 46.19 44.33 1htt s LEU 135 CO 0.00 0.21 -0.30 1.67 1.01 0.00 0.00 176.35 178.94 1htt n GLN 136 N 3.26 0.56 -0.68 1.70 -0.06 -1.26 -4.37 117.38 116.53 1htt n GLN 136 Ca -0.18 0.21 -0.28 0.00 -2.00 0.00 0.00 57.00 54.75 1htt n GLN 136 Cb 0.53 -1.43 0.25 0.00 -4.06 0.00 0.00 30.24 25.53 1htt n GLN 136 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1htt n GLY 137 N 1.67 -3.22 0.23 1.69 0.00 -1.26 -4.92 105.19 99.38 1htt n GLY 137 Ca -0.48 -1.41 0.15 0.00 0.00 0.00 0.00 46.02 44.27 1htt n GLY 137 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1htt h PRO 138 N 0.00 0.00 -0.48 1.61 0.11 -1.95 -3.34 132.00 127.95 1htt h PRO 138 Ca -0.38 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.77 1htt h PRO 138 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1htt h PRO 138 CO 0.24 0.00 0.24 0.38 -0.21 0.00 0.00 178.00 178.65 1htt h ASP 139 N 0.00 0.34 -0.13 -2.05 2.03 -1.93 -0.52 116.42 114.16 1htt h ASP 139 Ca 0.00 0.03 -0.08 0.00 -0.73 0.00 0.00 57.03 56.25 1htt h ASP 139 Cb 0.66 -0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 39.11 1htt h ASP 139 CO 0.00 0.24 -0.15 -0.29 -1.03 0.00 0.00 179.24 178.00 1htt h ILE 140 N 0.47 1.24 -0.46 4.15 6.09 -1.95 0.03 117.51 127.09 1htt h ILE 140 Ca 0.21 -1.08 -0.06 0.00 -1.37 0.00 0.00 64.86 62.56 1htt h ILE 140 Cb 0.12 1.19 -0.02 0.00 0.47 0.00 0.00 36.82 38.58 1htt h ILE 140 CO -0.15 0.35 0.02 0.44 -3.07 0.00 0.00 178.15 175.74 1htt h ASP 141 N 0.46 0.69 -0.01 2.19 5.19 -1.39 -1.19 116.42 122.36 1htt h ASP 141 Ca 0.08 -0.15 -0.16 0.00 -0.62 0.00 0.00 57.03 56.18 1htt h ASP 141 Cb 0.53 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 1htt h ASP 141 CO 0.03 0.75 -0.54 0.00 -3.12 0.00 0.00 179.24 176.37 1htt h ALA 142 N 1.33 0.69 -0.98 3.45 0.00 -0.22 -2.57 119.26 120.96 1htt h ALA 142 Ca 0.14 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.56 1htt h ALA 142 Cb 0.39 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1htt h ALA 142 CO 0.01 0.68 0.65 1.49 0.00 0.00 0.00 179.25 182.09 1htt h GLU 143 N 0.45 1.28 -0.52 0.00 4.81 0.13 0.76 114.58 121.50 1htt h GLU 143 Ca 0.01 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.05 1htt h GLU 143 Cb 1.08 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1htt h GLU 143 CO 0.10 0.85 -0.12 -0.07 -0.73 0.00 0.00 179.01 179.04 1htt h LEU 144 N 1.32 0.98 -0.71 1.64 3.38 -1.20 -1.07 115.31 119.67 1htt h LEU 144 Ca 0.36 -0.33 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1htt h LEU 144 Cb -0.15 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.32 1htt h LEU 144 CO -0.08 1.11 -0.24 0.40 0.09 0.00 0.00 178.44 179.72 1htt h ILE 145 N 0.87 1.27 -0.72 1.22 2.04 -1.05 -2.06 117.51 119.07 1htt h ILE 145 Ca 0.13 -1.34 0.02 0.00 1.00 0.00 0.00 64.86 64.67 1htt h ILE 145 Cb 0.68 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 1htt h ILE 145 CO 0.05 0.45 0.48 0.24 0.00 0.00 0.00 178.15 179.36 1htt h MET 146 N 0.65 0.91 -0.49 2.37 2.86 -0.60 -2.04 114.93 118.59 1htt h MET 146 Ca 0.09 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 1htt h MET 146 Cb 0.74 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 1htt h MET 146 CO 0.06 0.60 0.10 1.25 1.06 0.00 0.00 176.91 179.97 1htt h LEU 147 N 0.93 0.76 -0.35 1.22 6.46 -0.77 -1.76 115.31 121.81 1htt h LEU 147 Ca 0.28 -0.25 -0.10 0.00 -0.12 0.00 0.00 57.88 57.69 1htt h LEU 147 Cb -0.03 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.68 1htt h LEU 147 CO -0.07 0.82 -0.16 0.71 -0.62 0.00 0.00 178.44 179.11 1htt h THR 148 N 0.68 1.29 -0.73 1.05 1.35 -1.00 -2.73 112.91 112.82 1htt h THR 148 Ca 0.15 -1.28 0.11 0.00 -0.55 0.00 0.00 66.41 64.84 1htt h THR 148 Cb 0.37 1.38 -0.08 0.00 -1.73 0.00 0.00 68.15 68.08 1htt h THR 148 CO 0.01 0.42 0.34 0.00 -0.25 0.00 0.00 175.52 176.04 1htt h ALA 149 N 0.78 1.01 -0.23 6.62 0.00 -1.26 -1.31 119.26 124.88 1htt h ALA 149 Ca 0.08 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1htt h ALA 149 Cb 0.70 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1htt h ALA 149 CO 0.05 -0.09 0.14 -0.09 0.00 0.00 0.00 179.25 179.26 1htt h ARG 150 N 0.56 0.28 -0.92 0.00 2.43 -1.22 -1.90 114.38 113.60 1htt h ARG 150 Ca 0.37 -0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.66 1htt h ARG 150 Cb 0.44 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.86 1htt h ARG 150 CO -0.30 0.18 0.59 -1.49 -1.51 0.00 0.00 179.97 177.44 1htt h TRP 151 N 0.29 0.92 -0.13 2.20 6.55 -0.96 -0.20 115.95 124.63 1htt h TRP 151 Ca 0.09 0.03 -0.15 0.00 0.95 0.00 0.00 58.89 59.80 1htt h TRP 151 Cb -0.02 -0.29 -0.01 0.00 -0.86 0.00 0.00 29.16 27.98 1htt h TRP 151 CO -0.07 0.35 -0.58 -1.49 -1.05 0.00 0.00 178.44 175.60 1htt h TRP 152 N 0.79 0.51 -0.24 0.49 -0.00 -0.63 -0.89 115.95 115.98 1htt h TRP 152 Ca 0.46 -0.19 -0.03 0.00 -0.00 0.00 0.00 58.89 59.13 1htt h TRP 152 Cb 0.63 -0.09 -0.01 0.00 -0.00 0.00 0.00 29.16 29.69 1htt h TRP 152 CO -0.00 0.89 0.02 0.00 -0.00 0.00 0.00 178.44 179.35 1htt h ARG 153 N 0.30 0.41 -0.11 0.49 3.08 -0.56 0.54 114.38 118.55 1htt h ARG 153 Ca -0.00 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1htt h ARG 153 Cb 1.11 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 1htt h ARG 153 CO 0.10 0.56 -0.09 0.00 -1.07 0.00 0.00 179.97 179.47 1htt h ALA 154 N 0.83 1.65 -0.50 0.04 0.00 -0.56 -0.13 119.26 120.59 1htt h ALA 154 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1htt h ALA 154 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1htt h ALA 154 CO 0.01 0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.80 1htt n LEU 155 N -4.34 3.48 -2.23 0.00 4.77 -0.39 -4.97 117.00 113.33 1htt n LEU 155 Ca -0.01 -1.60 -0.18 0.00 -0.03 0.00 0.00 56.01 54.19 1htt n LEU 155 Cb 0.22 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 40.99 1htt n LEU 155 CO 0.37 0.80 -0.11 0.61 -1.33 0.00 0.00 177.39 177.72 1htt n GLY 156 N 1.53 -0.32 0.12 -0.72 0.00 -0.06 -4.88 105.19 100.87 1htt n GLY 156 Ca 0.21 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.15 0.49 -0.32 -0.61 -5.35 0.08 -4.79 119.36 104.71 1htt n ILE 157 Ca -0.15 -0.74 0.18 0.00 -0.27 0.00 0.00 62.75 61.76 1htt n ILE 157 Cb 0.63 0.78 0.36 0.00 -1.74 0.00 0.00 39.64 39.67 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 0.48 -0.04 -0.70 7.28 4.64 -1.81 -0.49 113.55 122.91 1htt h SER 158 Ca 0.00 0.23 -0.40 0.00 -0.47 0.00 0.00 61.79 61.15 1htt h SER 158 Cb 0.32 0.32 -0.16 0.00 -0.31 0.00 0.00 62.40 62.58 1htt h SER 158 CO 0.00 -0.26 0.40 1.21 -0.87 0.00 0.00 176.83 177.31 1htt n GLU 159 N -5.29 2.06 0.00 4.77 4.07 -1.26 -3.30 120.64 121.68 1htt n GLU 159 Ca 0.26 -1.89 0.00 0.00 -0.06 0.00 0.00 57.16 55.46 1htt n GLU 159 Cb 0.83 -1.85 0.00 0.00 -0.06 0.00 0.00 31.44 30.37 1htt n GLU 159 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1htt n HIS 160 N 0.58 0.00 -4.59 4.31 8.25 -0.19 -5.10 115.22 118.48 1htt n HIS 160 Ca 0.38 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.60 1htt n HIS 160 Cb 0.58 0.06 -0.17 0.00 1.12 0.00 0.00 29.99 31.59 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 1.16 -0.00 1.59 -7.23 -1.21 -4.23 120.40 110.48 1htt s VAL 161 Ca 0.00 -0.49 -0.01 0.00 -1.81 0.00 0.00 61.98 59.67 1htt s VAL 161 Cb 0.00 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.84 1htt s VAL 161 CO 0.00 0.36 0.14 -0.89 -0.31 0.00 0.00 175.10 174.40 1htt s THR 162 N 0.68 5.11 -0.23 5.32 2.01 0.65 -4.89 115.64 124.29 1htt s THR 162 Ca -0.14 -0.29 -0.09 0.00 0.31 0.00 0.00 61.69 61.47 1htt s THR 162 Cb -0.16 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 1htt s THR 162 CO 0.04 0.32 0.13 -0.22 -0.69 0.00 0.00 174.62 174.19 1htt s LEU 163 N -1.90 3.96 -0.03 4.42 2.96 -1.26 -0.77 118.68 126.06 1htt s LEU 163 Ca 0.26 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 1htt s LEU 163 Cb -0.12 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 1htt s LEU 163 CO 0.17 0.08 0.00 -1.61 -1.32 0.00 0.00 176.35 173.67 1htt s GLU 164 N 0.97 2.85 0.06 1.98 8.01 -0.06 -1.20 118.70 131.31 1htt s GLU 164 Ca 0.06 -0.54 -0.07 0.00 0.01 0.00 0.00 54.97 54.43 1htt s GLU 164 Cb -0.13 -2.71 -0.01 0.00 -4.31 0.00 0.00 34.13 26.97 1htt s GLU 164 CO 0.03 0.65 0.15 -0.51 0.01 0.00 0.00 175.26 175.59 1htt s LEU 165 N -1.33 1.60 0.00 1.80 1.43 0.15 -1.79 118.68 120.55 1htt s LEU 165 Ca 0.17 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1htt s LEU 165 Cb -0.11 0.83 0.00 0.00 0.03 0.00 0.00 46.19 46.93 1htt s LEU 165 CO 0.08 -0.62 0.00 -0.46 0.23 0.00 0.00 176.35 175.58 1htt n ASN 166 N 0.35 0.00 -4.59 2.29 2.04 -0.70 -1.27 115.26 113.38 1htt n ASN 166 Ca -0.17 0.00 -0.34 0.00 -0.44 0.00 0.00 54.58 53.63 1htt n ASN 166 Cb 0.60 0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 37.74 1htt n ASN 166 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 1htt s SER 167 N 0.00 4.71 0.00 0.53 0.15 -1.26 -1.47 113.70 116.37 1htt s SER 167 Ca 0.00 -0.01 0.08 0.00 0.70 0.00 0.00 55.95 56.72 1htt s SER 167 Cb 0.00 -1.20 0.19 0.00 -1.71 0.00 0.00 66.02 63.30 1htt s SER 167 CO 0.00 0.36 1.09 2.30 1.20 0.00 0.00 173.24 178.19 1htt n ILE 168 N 2.18 0.78 -1.17 6.45 -6.64 -0.62 -4.99 119.36 115.34 1htt n ILE 168 Ca -0.18 -0.89 0.00 0.00 -1.77 0.00 0.00 62.75 59.91 1htt n ILE 168 Cb 0.53 0.64 0.00 0.00 -1.44 0.00 0.00 39.64 39.37 1htt n ILE 168 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1htt n GLY 169 N 0.28 2.65 0.00 3.28 0.00 0.07 -4.87 105.19 106.59 1htt n GLY 169 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1htt n GLY 169 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1htt n ASP 230 N 1.40 0.00 -0.32 1.61 -0.08 -1.26 -4.33 116.55 113.57 1htt n ASP 230 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 1htt n ASP 230 Cb 0.00 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.51 1htt n ASP 230 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1htt h GLU 231 N 0.00 -0.04 -0.87 -0.67 9.09 -2.05 0.37 114.58 120.40 1htt h GLU 231 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 1htt h GLU 231 Cb 0.00 0.01 -0.04 0.00 -1.65 0.00 0.00 28.75 27.07 1htt h GLU 231 CO 0.00 -0.03 0.55 1.49 0.05 0.00 0.00 179.01 181.07 1htt h GLU 232 N -0.04 1.18 0.00 1.06 4.22 -2.04 0.88 114.58 119.84 1htt h GLU 232 Ca 0.34 -0.09 -0.03 0.00 0.08 0.00 0.00 59.36 59.66 1htt h GLU 232 Cb 0.60 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1htt h GLU 232 CO -0.90 0.81 -0.16 0.77 -2.18 0.00 0.00 179.01 177.35 1htt h SER 233 N 1.20 0.00 -0.11 1.04 0.02 -1.27 -1.18 113.55 113.25 1htt h SER 233 Ca 0.32 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.19 1htt h SER 233 Cb -0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1htt h SER 233 CO -0.06 0.16 -0.23 0.03 -1.14 0.00 0.00 176.83 175.58 1htt h ARG 234 N 0.00 0.35 0.01 3.45 3.08 0.13 -1.17 114.38 120.23 1htt h ARG 234 Ca -0.00 -0.23 0.01 0.00 0.07 0.00 0.00 59.98 59.83 1htt h ARG 234 Cb 1.12 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 1htt h ARG 234 CO 0.02 0.83 -0.08 1.49 -1.07 0.00 0.00 179.97 181.16 1htt h GLU 235 N -0.08 -0.14 -0.28 0.04 4.81 -0.88 -0.08 114.58 117.97 1htt h GLU 235 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1htt h GLU 235 Cb 0.83 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 1htt h GLU 235 CO 0.05 -0.09 0.15 1.25 -0.73 0.00 0.00 179.01 179.64 1htt h HIS 236 N -0.14 0.38 -0.54 0.92 2.76 -1.24 -0.12 115.15 117.17 1htt h HIS 236 Ca 0.03 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.15 1htt h HIS 236 Cb 0.18 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 1htt h HIS 236 CO -0.14 0.32 0.16 0.35 -1.30 0.00 0.00 177.93 177.32 1htt h PHE 237 N 0.33 0.87 0.34 5.26 3.57 -1.13 -2.17 116.94 124.01 1htt h PHE 237 Ca 0.10 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1htt h PHE 237 Cb 0.07 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.56 1htt h PHE 237 CO -0.03 0.74 -0.17 0.00 -2.23 0.00 0.00 178.31 176.62 1htt h ALA 238 N 1.03 -0.47 -0.98 2.41 0.00 -0.74 0.01 119.26 120.51 1htt h ALA 238 Ca 0.17 -0.10 0.20 0.00 0.00 0.00 0.00 54.91 55.18 1htt h ALA 238 Cb 0.29 0.19 -0.11 0.00 0.00 0.00 0.00 17.79 18.16 1htt h ALA 238 CO -0.00 -0.77 0.58 0.78 0.00 0.00 0.00 179.25 179.84 1htt h GLY 239 N -0.47 1.77 0.96 0.00 0.00 -1.00 0.25 103.07 104.59 1htt h GLY 239 Ca -0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1htt h GLY 239 CO 0.07 -0.12 0.21 -2.00 0.00 0.00 0.00 176.54 174.70 1htt h LEU 240 N 0.68 0.48 -1.20 3.11 5.85 -0.73 -1.60 115.31 121.90 1htt h LEU 240 Ca 0.59 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 59.15 1htt h LEU 240 Cb 0.97 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1htt h LEU 240 CO -0.41 0.43 -0.18 0.00 -0.34 0.00 0.00 178.44 177.94 1htt h LYS 242 N 0.31 0.47 -0.81 0.00 1.79 -0.37 -2.39 116.57 115.58 1htt h LYS 242 Ca 0.06 -0.16 0.05 0.00 -2.18 0.00 0.00 60.65 58.42 1htt h LYS 242 Cb 0.50 -0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 31.06 1htt h LYS 242 CO 0.03 0.66 0.53 -0.07 -1.08 0.00 0.00 179.45 179.52 1htt h LEU 243 N 0.24 0.81 -0.10 2.94 3.38 -0.99 -1.91 115.31 119.68 1htt h LEU 243 Ca 0.07 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 1htt h LEU 243 Cb 0.46 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.05 1htt h LEU 243 CO 0.02 0.54 -0.63 -0.07 0.09 0.00 0.00 178.44 178.39 1htt h LEU 244 N 0.93 0.72 -0.16 1.67 3.38 -1.35 -2.89 115.31 117.61 1htt h LEU 244 Ca 0.34 -0.66 0.05 0.00 0.09 0.00 0.00 57.88 57.69 1htt h LEU 244 Cb 0.15 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1htt h LEU 244 CO -0.11 1.27 -0.18 -0.33 0.09 0.00 0.00 178.44 179.18 1htt h GLU 245 N 0.23 -0.20 0.00 1.13 5.08 -1.26 0.63 114.58 120.18 1htt h GLU 245 Ca -0.05 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1htt h GLU 245 Cb 1.28 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1htt h GLU 245 CO 0.13 -0.14 0.00 0.43 -1.00 0.00 0.00 179.01 178.43 1htt n SER 246 N -5.33 0.00 0.00 1.42 7.64 -0.73 -0.03 113.62 116.59 1htt n SER 246 Ca -0.02 -0.51 0.00 0.00 1.01 0.00 0.00 58.87 59.35 1htt n SER 246 Cb 0.24 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 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 -0.66 1.53 -1.37 -0.43 0.00 -0.27 -5.00 120.51 114.31 1htt n ALA 247 Ca 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 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 0.61 0.41 3.61 0.00 0.00 0.96 -4.99 105.19 105.79 1htt n GLY 248 Ca 0.00 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.04 4.75 -0.13 -0.61 1.01 -0.20 -5.01 121.20 118.97 1htt s ILE 249 Ca 0.00 1.23 -0.29 0.00 0.00 0.00 0.00 60.65 61.58 1htt s ILE 249 Cb 0.00 -4.18 -0.01 0.00 0.01 0.00 0.00 42.46 38.27 1htt s ILE 249 CO 0.00 -0.29 1.13 0.00 0.00 0.00 0.00 174.94 175.78 1htt s ALA 250 N 3.05 3.54 0.19 9.38 0.00 -1.26 -4.31 121.76 132.36 1htt s ALA 250 Ca 0.34 0.44 0.04 0.00 0.00 0.00 0.00 51.96 52.77 1htt s ALA 250 Cb -0.14 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 1htt s ALA 250 CO 0.13 -0.86 -0.05 1.52 0.00 0.00 0.00 175.76 176.50 1htt s TYR 251 N 2.62 1.43 -0.06 0.00 1.13 -1.26 -4.17 117.35 117.03 1htt s TYR 251 Ca 0.51 -0.84 0.05 0.00 -1.41 0.00 0.00 57.07 55.38 1htt s TYR 251 Cb -0.20 -0.79 -0.01 0.00 -1.10 0.00 0.00 41.96 39.86 1htt s TYR 251 CO 0.16 0.02 -0.22 0.99 -2.51 0.00 0.00 175.55 173.99 1htt s THR 252 N -3.37 2.30 -0.31 -3.49 2.01 -0.34 -5.02 115.64 107.43 1htt s THR 252 Ca 0.23 -0.98 -0.17 0.00 0.31 0.00 0.00 61.69 61.08 1htt s THR 252 Cb 0.04 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 1htt s THR 252 CO 0.05 0.57 0.48 -0.69 -0.69 0.00 0.00 174.62 174.34 1htt s VAL 253 N -0.19 5.07 -0.28 3.82 1.01 -1.26 -0.67 120.40 127.90 1htt s VAL 253 Ca -0.02 0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.50 1htt s VAL 253 Cb -0.13 -3.87 0.07 0.00 0.00 0.00 0.00 36.38 32.44 1htt s VAL 253 CO 0.03 -0.06 -0.08 0.21 0.00 0.00 0.00 175.10 175.21 1htt s ASN 254 N 1.68 4.53 0.58 3.32 2.47 -0.39 -4.94 114.94 122.18 1htt s ASN 254 Ca 0.18 -1.50 0.36 0.00 0.42 0.00 0.00 52.86 52.32 1htt s ASN 254 Cb -0.16 -1.57 1.64 0.00 -1.45 0.00 0.00 41.25 39.71 1htt s ASN 254 CO 0.11 -0.22 2.09 1.56 -3.72 0.00 0.00 177.10 176.92 1htt h GLN 255 N 7.77 0.00 -0.40 0.43 1.08 -1.96 -2.74 115.11 119.29 1htt h GLN 255 Ca -0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.03 1htt h GLN 255 Cb 1.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 1htt h GLN 255 CO 0.48 0.01 0.00 2.89 -0.95 0.00 0.00 178.83 181.25 1htt n ARG 256 N -3.11 2.14 -2.63 1.46 -4.01 -1.26 -4.78 116.66 104.47 1htt n ARG 256 Ca -0.00 -1.75 -0.42 0.00 -1.04 0.00 0.00 57.85 54.64 1htt n ARG 256 Cb 0.25 -1.42 -0.03 0.00 -3.04 0.00 0.00 32.46 28.21 1htt n ARG 256 CO 0.00 0.00 0.00 -1.17 -3.04 0.00 0.00 177.63 173.42 1htt s LEU 257 N -1.24 3.68 0.03 2.89 1.98 -1.03 -4.94 118.68 120.04 1htt s LEU 257 Ca 0.35 -1.19 0.03 0.00 -2.89 0.00 0.00 54.13 50.43 1htt s LEU 257 Cb 0.19 -2.53 -0.04 0.00 0.66 0.00 0.00 46.19 44.47 1htt s LEU 257 CO 0.26 -1.54 -0.00 0.68 -1.89 0.00 0.00 176.35 173.85 1htt s VAL 258 N 4.82 4.07 0.70 1.68 -7.23 -1.26 -4.85 120.40 118.33 1htt s VAL 258 Ca 0.39 -0.74 -0.06 0.00 -1.81 0.00 0.00 61.98 59.76 1htt s VAL 258 Cb -0.05 -2.85 0.06 0.00 0.56 0.00 0.00 36.38 34.10 1htt s VAL 258 CO -0.01 0.30 1.01 -0.13 -0.31 0.00 0.00 175.10 175.96 1htt s ARG 259 N -1.78 2.20 -0.11 4.82 0.52 -1.26 -4.99 118.95 118.35 1htt s ARG 259 Ca 0.21 -0.28 0.06 0.00 -0.52 0.00 0.00 55.73 55.21 1htt s ARG 259 Cb -0.12 -2.18 0.38 0.00 0.52 0.00 0.00 34.95 33.55 1htt s ARG 259 CO 0.13 -1.23 1.08 0.41 0.02 0.00 0.00 175.30 175.71 1htt n GLY 260 N -2.91 2.21 3.11 -3.53 0.00 -1.26 -4.85 105.19 97.96 1htt n GLY 260 Ca 0.08 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.27 2.11 -0.79 0.99 1.43 -1.26 -4.75 118.68 115.14 1htt s LEU 261 Ca 0.25 -0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1htt s LEU 261 Cb 0.19 -0.58 0.35 0.00 0.03 0.00 0.00 46.19 46.18 1htt s LEU 261 CO 0.07 0.07 2.08 0.47 0.23 0.00 0.00 176.35 179.27 1htt n ASP 262 N 2.25 7.49 0.00 2.29 9.92 -0.39 -4.26 116.55 133.85 1htt n ASP 262 Ca -0.16 -3.78 0.00 0.00 -0.53 0.00 0.00 54.79 50.31 1htt n ASP 262 Cb 0.55 -1.06 0.00 0.00 -0.64 0.00 0.00 41.12 39.97 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 -0.51 0.00 -2.84 1.24 0.18 -1.26 -4.82 117.16 109.15 1htt n TYR 263 Ca 0.55 -0.04 -0.34 0.00 1.88 0.00 0.00 57.90 59.95 1htt n TYR 263 Cb 0.32 -0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.21 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 -0.09 3.38 0.00 -3.48 2.02 -1.26 -4.37 117.35 113.56 1htt s TYR 264 Ca 0.00 1.60 0.00 0.00 -0.37 0.00 0.00 57.07 58.30 1htt s TYR 264 Cb 0.00 -2.83 0.00 0.00 -0.40 0.00 0.00 41.96 38.73 1htt s TYR 264 CO 0.00 -0.03 0.00 0.27 -1.57 0.00 0.00 175.55 174.22 1htt n ASN 265 N -0.40 0.00 0.00 2.29 6.94 0.66 -4.93 115.26 119.82 1htt n ASN 265 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.62 1htt n ASN 265 Cb 0.53 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.95 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 -2.01 0.00 -2.30 -3.83 1.74 -1.26 -0.75 116.66 108.24 1htt n ARG 266 Ca 0.00 0.11 -0.42 0.00 -0.77 0.00 0.00 57.85 56.77 1htt n ARG 266 Cb 0.00 -0.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.91 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 -0.31 3.72 -0.03 0.55 2.01 -1.26 -1.59 115.64 118.72 1htt s THR 267 Ca 0.00 1.22 0.01 0.00 0.31 0.00 0.00 61.69 63.23 1htt s THR 267 Cb 0.00 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.74 1htt s THR 267 CO 0.00 0.08 -0.05 0.68 -0.69 0.00 0.00 174.62 174.64 1htt s VAL 268 N 1.25 0.49 0.12 3.82 -7.23 -0.54 -0.65 120.40 117.65 1htt s VAL 268 Ca 0.61 -0.16 -0.10 0.00 -1.81 0.00 0.00 61.98 60.53 1htt s VAL 268 Cb -0.32 -0.48 0.00 0.00 0.56 0.00 0.00 36.38 36.13 1htt s VAL 268 CO 0.29 0.19 0.24 0.72 -0.31 0.00 0.00 175.10 176.23 1htt s PHE 269 N 0.52 0.19 -0.19 2.82 -0.12 -0.90 -1.73 117.98 118.57 1htt s PHE 269 Ca -0.07 -0.58 -0.12 0.00 -0.05 0.00 0.00 56.93 56.11 1htt s PHE 269 Cb -0.10 -0.02 0.06 0.00 -0.63 0.00 0.00 43.02 42.33 1htt s PHE 269 CO -0.00 -0.62 0.48 -2.00 -0.05 0.00 0.00 175.22 173.03 1htt s GLU 270 N -3.89 0.49 -0.27 1.99 2.12 -0.74 -2.46 118.70 115.94 1htt s GLU 270 Ca 0.08 0.86 -0.11 0.00 0.36 0.00 0.00 54.97 56.17 1htt s GLU 270 Cb 0.04 0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.44 1htt s GLU 270 CO -0.08 -0.14 0.17 -1.58 -0.54 0.00 0.00 175.26 173.09 1htt s TRP 271 N 1.26 3.22 0.11 5.30 0.52 -0.49 -0.88 118.94 127.99 1htt s TRP 271 Ca -0.08 0.08 0.09 0.00 0.02 0.00 0.00 56.10 56.20 1htt s TRP 271 Cb -0.07 -2.35 -0.04 0.00 -1.15 0.00 0.00 33.47 29.86 1htt s TRP 271 CO -0.12 -0.15 -0.18 0.08 0.02 0.00 0.00 176.95 176.61 1htt s VAL 272 N 1.64 2.88 0.41 4.03 1.01 0.05 -1.34 120.40 129.06 1htt s VAL 272 Ca 0.07 -1.48 0.07 0.00 0.00 0.00 0.00 61.98 60.64 1htt s VAL 272 Cb -0.16 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.84 1htt s VAL 272 CO 0.09 0.11 0.10 0.28 0.00 0.00 0.00 175.10 175.68 1htt s THR 273 N -1.14 2.18 -0.50 3.92 -1.32 0.54 -0.25 115.64 119.06 1htt s THR 273 Ca 0.18 -1.84 0.07 0.00 -1.21 0.00 0.00 61.69 58.90 1htt s THR 273 Cb -0.11 -2.99 0.26 0.00 -1.51 0.00 0.00 72.50 68.15 1htt s THR 273 CO 0.10 -0.01 0.64 0.59 -2.21 0.00 0.00 174.62 173.73 1htt n ASN 274 N -1.11 1.81 -2.53 8.08 4.13 -1.26 -4.60 115.26 119.78 1htt n ASN 274 Ca -0.03 -3.05 0.00 0.00 1.68 0.00 0.00 54.58 53.18 1htt n ASN 274 Cb 0.66 -0.65 0.00 0.00 -1.54 0.00 0.00 39.78 38.25 1htt n ASN 274 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1htt n GLN 279 N 1.07 0.00 0.00 3.52 1.13 -1.26 -5.13 117.38 116.71 1htt n GLN 279 Ca 0.25 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.31 1htt n GLN 279 Cb 0.48 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.42 1htt n GLN 279 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1htt n GLY 280 N 2.85 2.22 3.70 1.08 0.00 -1.26 -4.89 105.19 108.89 1htt n GLY 280 Ca 0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 3.92 -0.21 2.61 2.01 -1.26 -0.34 115.64 122.37 1htt s THR 281 Ca 0.00 1.33 0.08 0.00 0.31 0.00 0.00 61.69 63.40 1htt s THR 281 Cb 0.00 -3.85 -0.18 0.00 0.01 0.00 0.00 72.50 68.48 1htt s THR 281 CO 0.00 0.04 -0.09 0.52 -0.69 0.00 0.00 174.62 174.40 1htt n VAL 282 N 4.33 1.27 -3.90 3.82 0.31 -0.45 -4.88 118.33 118.82 1htt n VAL 282 Ca 0.11 -0.60 -0.11 0.00 -0.01 0.00 0.00 64.34 63.73 1htt n VAL 282 Cb 0.45 -0.98 -0.13 0.00 -0.91 0.00 0.00 33.84 32.27 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 -0.61 -0.90 0.02 0.00 0.00 -0.45 -1.40 121.76 118.42 1htt s ALA 284 Ca -0.07 0.59 -0.05 0.00 0.00 0.00 0.00 51.96 52.43 1htt s ALA 284 Cb -0.04 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1htt s ALA 284 CO -0.00 -0.25 0.25 0.41 0.00 0.00 0.00 175.76 176.16 1htt n GLY 285 N 1.65 0.86 0.00 0.00 0.00 -1.03 -0.69 105.19 105.98 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 -0.18 -0.99 3.72 -0.02 0.00 -0.23 -2.12 105.19 105.38 1htt n GLY 286 Ca 0.00 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.86 2.70 -0.42 1.61 3.52 0.18 -1.68 118.95 123.99 1htt s ARG 287 Ca 0.00 -0.76 0.08 0.00 -0.13 0.00 0.00 55.73 54.93 1htt s ARG 287 Cb 0.00 -2.62 0.28 0.00 -1.56 0.00 0.00 34.95 31.05 1htt s ARG 287 CO 0.00 0.56 0.76 2.48 -0.81 0.00 0.00 175.30 178.29 1htt n TYR 288 N 0.64 -1.38 0.30 5.12 4.11 -0.40 -0.25 117.16 125.29 1htt n TYR 288 Ca -0.10 -2.94 0.18 0.00 -0.00 0.00 0.00 57.90 55.03 1htt n TYR 288 Cb 0.52 0.43 0.95 0.00 -0.00 0.00 0.00 39.34 41.24 1htt n TYR 288 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.86 176.42 1htt h ASP 289 N 3.60 0.00 0.43 9.48 3.32 -1.79 -2.87 116.42 128.58 1htt h ASP 289 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1htt h ASP 289 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1htt h ASP 289 CO 0.38 0.03 -1.34 0.61 -1.72 0.00 0.00 179.24 177.20 1htt n GLY 290 N -0.78 -1.20 0.27 2.75 0.00 -1.26 -4.16 105.19 100.81 1htt n GLY 290 Ca -0.02 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.73 1htt n GLY 290 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1htt h LEU 291 N 0.00 0.00 -1.11 0.99 6.46 -1.77 -1.75 115.31 118.13 1htt h LEU 291 Ca 0.00 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.67 1htt h LEU 291 Cb 0.89 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.80 1htt h LEU 291 CO 0.00 0.10 -0.31 0.58 -0.62 0.00 0.00 178.44 178.19 1htt h VAL 292 N 0.00 1.26 0.15 1.05 2.07 -1.80 -2.46 116.25 116.52 1htt h VAL 292 Ca -0.00 -1.26 -0.29 0.00 0.82 0.00 0.00 66.70 65.97 1htt h VAL 292 Cb 0.28 1.52 0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1htt h VAL 292 CO 0.01 0.38 -1.21 -0.08 0.02 0.00 0.00 177.57 176.69 1htt h GLU 293 N 0.20 0.56 -0.81 1.57 4.81 -1.41 0.73 114.58 120.24 1htt h GLU 293 Ca 0.03 -0.80 0.09 0.00 -0.13 0.00 0.00 59.36 58.55 1htt h GLU 293 Cb 0.66 0.28 -0.07 0.00 0.63 0.00 0.00 28.75 30.24 1htt h GLU 293 CO 0.05 1.37 0.45 0.37 -0.73 0.00 0.00 179.01 180.52 1htt h GLN 294 N 0.15 0.74 -0.76 1.92 4.15 -1.43 0.42 115.11 120.30 1htt h GLN 294 Ca -0.19 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.18 1htt h GLN 294 Cb 1.91 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 29.43 1htt h GLN 294 CO 0.23 0.49 0.00 1.28 -1.93 0.00 0.00 178.83 178.90 1htt n LEU 295 N -4.76 2.55 0.00 -2.39 4.77 -0.94 -4.86 117.00 111.38 1htt n LEU 295 Ca 0.13 -1.29 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 1htt n LEU 295 Cb 0.27 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1htt n LEU 295 CO 0.27 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1htt n GLY 296 N 0.34 1.05 3.55 -0.72 0.00 0.14 -5.00 105.19 104.55 1htt n GLY 296 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.84 3.27 3.78 -0.02 0.00 0.25 -4.98 105.19 105.65 1htt n GLY 297 Ca 0.00 -2.34 -0.36 0.00 0.00 0.00 0.00 46.02 43.32 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 -3.91 3.86 0.21 1.61 3.00 -1.26 -3.77 118.95 118.69 1htt s ARG 298 Ca 0.11 1.55 -0.31 0.00 0.00 0.00 0.00 55.73 57.08 1htt s ARG 298 Cb -0.01 -2.32 -0.11 0.00 0.00 0.00 0.00 34.95 32.51 1htt s ARG 298 CO 0.07 -0.41 1.64 0.00 0.00 0.00 0.00 175.30 176.60 1htt s ALA 299 N -1.73 3.85 -0.12 2.13 0.00 -1.26 -4.34 121.76 120.29 1htt s ALA 299 Ca 0.64 1.51 -0.08 0.00 0.00 0.00 0.00 51.96 54.02 1htt s ALA 299 Cb -0.22 -3.66 0.04 0.00 0.00 0.00 0.00 23.12 19.28 1htt s ALA 299 CO 0.27 -0.88 0.30 0.99 0.00 0.00 0.00 175.76 176.44 1htt s THR 300 N 0.94 -0.02 0.42 0.00 2.01 -1.26 -4.99 115.64 112.74 1htt s THR 300 Ca 0.71 0.09 -0.22 0.00 0.31 0.00 0.00 61.69 62.57 1htt s THR 300 Cb -0.47 -0.44 -0.09 0.00 0.01 0.00 0.00 72.50 71.50 1htt s THR 300 CO 0.35 0.03 1.02 -2.84 -0.69 0.00 0.00 174.62 172.49 1htt s PRO 301 N 0.91 4.10 -0.10 4.92 0.02 -1.26 -4.61 135.00 138.99 1htt s PRO 301 Ca -0.06 1.38 -0.25 0.00 0.02 0.00 0.00 61.00 62.08 1htt s PRO 301 Cb -0.07 -2.36 0.06 0.00 0.02 0.00 0.00 34.50 32.15 1htt s PRO 301 CO -0.06 -0.17 0.60 0.00 -0.33 0.00 0.00 177.00 177.03 1htt s ALA 302 N -1.85 -1.53 0.07 -1.55 0.00 -1.26 -0.62 121.76 115.02 1htt s ALA 302 Ca 0.61 1.28 -0.09 0.00 0.00 0.00 0.00 51.96 53.75 1htt s ALA 302 Cb -0.18 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1htt s ALA 302 CO 0.22 -0.33 0.20 0.08 0.00 0.00 0.00 175.76 175.94 1htt s VAL 303 N -0.76 0.12 -0.87 0.00 1.01 -0.94 -1.28 120.40 117.68 1htt s VAL 303 Ca -0.08 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1htt s VAL 303 Cb -0.02 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.21 1htt s VAL 303 CO 0.06 -0.57 0.00 0.61 0.00 0.00 0.00 175.10 175.21 1htt n GLY 304 N 0.25 -1.29 3.84 4.51 0.00 -0.68 -1.46 105.19 110.37 1htt n GLY 304 Ca -0.17 -0.90 -0.07 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.84 -0.10 -0.08 1.61 -0.71 -0.65 -1.07 117.98 114.15 1htt s PHE 305 Ca 0.00 -0.41 -0.14 0.00 -1.04 0.00 0.00 56.93 55.34 1htt s PHE 305 Cb 0.00 0.74 0.03 0.00 -1.21 0.00 0.00 43.02 42.58 1htt s PHE 305 CO 0.00 -1.29 0.35 0.00 -1.34 0.00 0.00 175.22 172.94 1htt s ALA 306 N -3.39 -0.88 0.04 1.99 0.00 0.14 -1.14 121.76 118.52 1htt s ALA 306 Ca 0.13 0.72 0.07 0.00 0.00 0.00 0.00 51.96 52.88 1htt s ALA 306 Cb -0.05 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 1htt s ALA 306 CO 0.08 -0.22 -0.20 1.41 0.00 0.00 0.00 175.76 176.83 1htt s MET 307 N -0.55 1.34 -0.70 0.00 0.00 -0.31 -1.34 119.30 117.75 1htt s MET 307 Ca -0.07 -0.93 -0.24 0.00 0.00 0.00 0.00 55.69 54.45 1htt s MET 307 Cb -0.04 -1.45 0.05 0.00 0.00 0.00 0.00 34.83 33.40 1htt s MET 307 CO 0.03 0.37 1.10 0.20 0.00 0.00 0.00 175.02 176.71 1htt s GLY 308 N -1.19 1.17 0.55 2.11 0.00 -0.41 -2.49 107.32 107.06 1htt s GLY 308 Ca 0.07 -1.66 0.31 0.00 0.00 0.00 0.00 44.72 43.44 1htt s GLY 308 CO 0.02 2.30 1.94 1.41 0.00 0.00 0.00 173.10 178.77 1htt h LEU 309 N 12.04 0.00 -0.07 0.66 3.38 -1.70 0.31 115.31 129.93 1htt h LEU 309 Ca -0.28 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.44 1htt h LEU 309 Cb 1.06 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.83 1htt h LEU 309 CO 1.22 0.00 -0.92 -0.33 0.09 0.00 0.00 178.44 178.51 1htt h GLU 310 N 0.00 0.75 0.02 1.13 4.39 -1.90 -2.16 114.58 116.81 1htt h GLU 310 Ca 0.00 -0.71 -0.24 0.00 0.34 0.00 0.00 59.36 58.75 1htt h GLU 310 Cb 0.31 0.18 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1htt h GLU 310 CO 0.00 1.30 -0.99 -0.09 -1.16 0.00 0.00 179.01 178.07 1htt h ARG 311 N 0.47 0.44 0.53 2.33 2.43 -1.31 -2.24 114.38 117.03 1htt h ARG 311 Ca -0.09 -0.50 -0.02 0.00 -0.81 0.00 0.00 59.98 58.56 1htt h ARG 311 Cb 1.56 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 31.24 1htt h ARG 311 CO 0.18 1.15 -0.48 1.25 -1.51 0.00 0.00 179.97 180.57 1htt h LEU 312 N 0.24 -1.29 -0.94 3.80 5.85 -1.40 0.31 115.31 121.88 1htt h LEU 312 Ca -0.09 0.10 0.21 0.00 0.84 0.00 0.00 57.88 58.93 1htt h LEU 312 Cb 1.64 0.42 -0.12 0.00 0.37 0.00 0.00 40.66 42.97 1htt h LEU 312 CO 0.17 -0.66 0.50 0.58 -0.34 0.00 0.00 178.44 178.70 1htt h VAL 313 N -1.00 0.58 -0.35 1.05 2.07 -1.42 0.05 116.25 117.24 1htt h VAL 313 Ca -0.06 -0.19 -0.16 0.00 0.82 0.00 0.00 66.70 67.10 1htt h VAL 313 Cb 0.86 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1htt h VAL 313 CO -0.03 0.10 -0.41 -0.07 0.02 0.00 0.00 177.57 177.18 1htt h LEU 314 N 0.57 0.93 -0.27 2.57 3.38 -1.11 -2.33 115.31 119.05 1htt h LEU 314 Ca 0.57 -0.43 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 1htt h LEU 314 Cb 1.00 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1htt h LEU 314 CO -0.45 1.22 -0.46 0.25 0.09 0.00 0.00 178.44 179.08 1htt h LEU 315 N 0.70 0.87 0.20 1.67 5.85 0.85 -1.84 115.31 123.62 1htt h LEU 315 Ca 0.05 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 1htt h LEU 315 Cb 0.99 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 1htt h LEU 315 CO 0.10 1.23 -0.14 0.58 -0.34 0.00 0.00 178.44 179.86 1htt h VAL 316 N 0.53 0.00 -1.40 1.05 2.07 -1.08 -0.20 116.25 117.22 1htt h VAL 316 Ca 0.02 0.00 0.44 0.00 0.82 0.00 0.00 66.70 67.97 1htt h VAL 316 Cb 1.06 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.72 1htt h VAL 316 CO 0.10 0.00 0.93 1.56 0.02 0.00 0.00 177.57 180.19 1htt h GLN 317 N -0.33 0.08 0.08 1.57 4.20 -1.42 0.52 115.11 119.81 1htt h GLN 317 Ca -0.03 -0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.51 1htt h GLN 317 Cb 0.27 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1htt h GLN 317 CO 0.02 0.06 -0.83 0.00 -0.67 0.00 0.00 178.83 177.41 1htt h ALA 318 N 1.48 0.05 0.00 3.87 0.00 -1.08 -3.17 119.26 120.42 1htt h ALA 318 Ca 0.80 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1htt h ALA 318 Cb 2.67 0.26 0.00 0.00 0.00 0.00 0.00 17.79 20.72 1htt h ALA 318 CO -0.30 0.45 -0.21 0.28 0.00 0.00 0.00 179.25 179.47 1htt h VAL 319 N -0.60 0.00 0.00 0.00 2.07 0.04 -3.36 116.25 114.40 1htt h VAL 319 Ca -0.18 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1htt h VAL 319 Cb 1.47 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1htt h VAL 319 CO 0.04 0.00 -0.01 0.59 0.02 0.00 0.00 177.57 178.21 1htt n ASN 320 N -2.57 2.07 0.00 0.57 3.02 0.17 -4.99 115.26 113.53 1htt n ASN 320 Ca 0.04 -2.50 0.00 0.00 -0.03 0.00 0.00 54.58 52.09 1htt n ASN 320 Cb 0.48 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 1htt n ASN 320 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1htt n PRO 321 N -0.93 0.00 -1.18 3.52 -0.02 -1.20 -2.17 135.00 133.02 1htt n PRO 321 Ca 0.08 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.32 1htt n PRO 321 Cb 0.45 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.83 1htt n PRO 321 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1htt n GLU 322 N -0.39 2.71 -3.91 -0.52 4.71 -1.26 -4.64 120.64 117.34 1htt n GLU 322 Ca 0.00 -1.60 -0.32 0.00 -0.01 0.00 0.00 57.16 55.23 1htt n GLU 322 Cb 0.00 -2.30 -0.13 0.00 -1.01 0.00 0.00 31.44 28.00 1htt n GLU 322 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 1htt s PHE 323 N 1.10 3.42 0.38 -0.32 2.19 -0.92 -5.07 117.98 118.76 1htt s PHE 323 Ca 0.67 -2.97 0.07 0.00 0.33 0.00 0.00 56.93 55.03 1htt s PHE 323 Cb 0.27 -2.96 -0.00 0.00 -1.31 0.00 0.00 43.02 39.02 1htt s PHE 323 CO -0.04 -0.84 0.51 0.15 1.83 0.00 0.00 175.22 176.83 1htt s LYS 324 N 0.21 2.93 0.40 10.12 3.01 -1.26 -5.01 119.74 130.13 1htt s LYS 324 Ca 0.14 -1.16 0.05 0.00 -1.01 0.00 0.00 55.97 53.99 1htt s LYS 324 Cb -0.23 -2.76 -0.06 0.00 -1.01 0.00 0.00 37.83 33.77 1htt s LYS 324 CO -0.03 -0.12 0.03 0.00 0.51 0.00 0.00 175.35 175.74 1htt s ALA 325 N -2.28 3.04 0.25 5.17 0.00 -1.26 -5.01 121.76 121.66 1htt s ALA 325 Ca 0.50 -1.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.21 1htt s ALA 325 Cb -0.09 0.32 -0.10 0.00 0.00 0.00 0.00 23.12 23.25 1htt s ALA 325 CO 0.32 -0.17 1.41 -0.51 0.00 0.00 0.00 175.76 176.81 1htt s ASP 326 N -3.66 6.69 0.99 0.00 1.11 -1.26 -5.00 116.67 115.54 1htt s ASP 326 Ca 0.31 2.64 -0.12 0.00 0.18 0.00 0.00 52.55 55.56 1htt s ASP 326 Cb 0.08 -2.62 0.19 0.00 1.07 0.00 0.00 42.92 41.64 1htt s ASP 326 CO 0.15 -0.67 1.08 -2.16 1.18 0.00 0.00 175.17 174.75 1htt s PRO 327 N -0.45 0.45 -0.05 8.23 0.04 -1.26 -4.98 135.00 136.97 1htt s PRO 327 Ca 0.58 0.83 -0.09 0.00 0.04 0.00 0.00 61.00 62.36 1htt s PRO 327 Cb -0.41 -1.71 -0.30 0.00 0.04 0.00 0.00 34.50 32.12 1htt s PRO 327 CO 0.43 -2.80 0.64 -0.39 0.04 0.00 0.00 177.00 174.93 1htt h VAL 328 N -1.95 0.91 -4.09 -0.36 -1.51 -1.92 -3.45 116.25 103.87 1htt h VAL 328 Ca -0.53 -2.52 -0.69 0.00 -1.23 0.00 0.00 66.70 61.72 1htt h VAL 328 Cb 1.31 2.71 -0.24 0.00 -2.13 0.00 0.00 31.29 32.94 1htt h VAL 328 CO 0.53 0.85 -0.80 -0.69 -1.23 0.00 0.00 177.57 176.23 1htt s VAL 329 N -2.58 2.84 -0.26 7.19 1.01 -1.23 -4.76 120.40 122.62 1htt s VAL 329 Ca -0.16 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 60.77 1htt s VAL 329 Cb 0.06 -2.13 -0.11 0.00 0.00 0.00 0.00 36.38 34.20 1htt s VAL 329 CO 0.84 0.51 -0.33 0.47 0.00 0.00 0.00 175.10 176.59 1htt n ASP 330 N 2.07 1.82 -4.25 3.32 8.00 0.58 -3.82 116.55 124.27 1htt n ASP 330 Ca -0.17 0.30 -0.32 0.00 0.71 0.00 0.00 54.79 55.31 1htt n ASP 330 Cb 0.52 -0.74 -0.17 0.00 -0.02 0.00 0.00 41.12 40.71 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 -2.47 2.17 -0.15 0.53 1.01 -0.43 -0.62 121.20 121.24 1htt s ILE 331 Ca -0.36 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.27 1htt s ILE 331 Cb 0.14 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 1htt s ILE 331 CO 0.45 0.56 -0.07 -0.47 0.00 0.00 0.00 174.94 175.41 1htt s TYR 332 N 0.16 2.94 -0.68 3.97 5.04 -0.84 -1.26 117.35 126.68 1htt s TYR 332 Ca -0.13 -0.50 -0.19 0.00 -2.44 0.00 0.00 57.07 53.81 1htt s TYR 332 Cb -0.16 -1.93 0.11 0.00 0.35 0.00 0.00 41.96 40.32 1htt s TYR 332 CO 0.07 -0.16 0.83 -1.17 -1.34 0.00 0.00 175.55 173.78 1htt s LEU 333 N 0.49 5.22 0.21 6.97 1.98 0.23 -1.00 118.68 132.78 1htt s LEU 333 Ca -0.06 -1.53 -0.25 0.00 -2.89 0.00 0.00 54.13 49.41 1htt s LEU 333 Cb -0.15 -2.34 -0.08 0.00 0.66 0.00 0.00 46.19 44.28 1htt s LEU 333 CO 0.03 -1.14 0.82 -0.69 -1.89 0.00 0.00 176.35 173.48 1htt s VAL 334 N 2.80 4.32 -0.27 1.68 1.01 0.17 -1.30 120.40 128.81 1htt s VAL 334 Ca 0.18 1.72 -0.18 0.00 0.00 0.00 0.00 61.98 63.70 1htt s VAL 334 Cb -0.19 -4.11 0.08 0.00 0.00 0.00 0.00 36.38 32.16 1htt s VAL 334 CO 0.04 0.42 0.69 0.00 0.00 0.00 0.00 175.10 176.25 1htt s ALA 335 N -1.27 -1.83 0.14 5.51 0.00 -1.26 -2.03 121.76 121.02 1htt s ALA 335 Ca 0.40 2.30 -0.09 0.00 0.00 0.00 0.00 51.96 54.56 1htt s ALA 335 Cb -0.22 -1.35 -0.00 0.00 0.00 0.00 0.00 23.12 21.55 1htt s ALA 335 CO 0.26 -0.37 0.26 -1.12 0.00 0.00 0.00 175.76 174.80 1htt s SER 336 N 1.29 0.05 0.00 0.00 0.01 -0.51 -4.91 113.70 109.62 1htt s SER 336 Ca -0.07 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.43 1htt s SER 336 Cb -0.05 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1htt s SER 336 CO -0.14 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.28 1htt n GLY 337 N -0.17 2.34 3.67 3.44 0.00 -1.26 -3.99 105.19 109.22 1htt n GLY 337 Ca -0.10 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 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 -2.48 3.63 -1.92 4.61 0.00 -1.26 -3.20 121.76 121.14 1htt s ALA 338 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1htt s ALA 338 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1htt s ALA 338 CO 0.00 -1.38 0.00 -0.25 0.00 0.00 0.00 175.76 174.13 1htt n ASP 339 N 6.82 -5.45 0.15 0.00 9.92 -1.26 -4.89 116.55 121.85 1htt n ASP 339 Ca 0.18 0.29 0.03 0.00 -0.53 0.00 0.00 54.79 54.76 1htt n ASP 339 Cb 0.41 -4.60 0.15 0.00 -0.64 0.00 0.00 41.12 36.45 1htt n ASP 339 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1htt h THR 340 N 0.00 0.98 -0.88 -3.53 1.35 -1.85 -3.38 112.91 105.61 1htt h THR 340 Ca -0.42 -2.04 0.05 0.00 -0.55 0.00 0.00 66.41 63.45 1htt h THR 340 Cb 1.30 2.24 -0.05 0.00 -1.73 0.00 0.00 68.15 69.91 1htt h THR 340 CO 0.57 0.49 0.57 1.56 -0.25 0.00 0.00 175.52 178.47 1htt h GLN 341 N 0.00 1.00 -0.33 4.72 1.08 -1.90 0.23 115.11 119.91 1htt h GLN 341 Ca -0.01 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.08 1htt h GLN 341 Cb 1.20 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 28.39 1htt h GLN 341 CO 0.07 0.66 -0.03 0.77 -0.95 0.00 0.00 178.83 179.35 1htt h SER 342 N 1.03 0.49 -0.12 1.46 0.02 -2.00 -0.42 113.55 114.01 1htt h SER 342 Ca 0.36 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.18 1htt h SER 342 Cb 0.12 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 1htt h SER 342 CO -0.12 0.59 -0.03 0.00 -1.14 0.00 0.00 176.83 176.12 1htt h ALA 343 N 1.47 0.17 -0.20 3.77 0.00 -1.18 0.14 119.26 123.44 1htt h ALA 343 Ca 0.10 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1htt h ALA 343 Cb 0.37 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1htt h ALA 343 CO 0.02 -0.08 -0.06 0.00 0.00 0.00 0.00 179.25 179.12 1htt h ALA 344 N 0.69 0.11 -0.43 0.00 0.00 -0.44 -0.03 119.26 119.15 1htt h ALA 344 Ca 0.03 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1htt h ALA 344 Cb 0.46 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1htt h ALA 344 CO 0.01 -0.49 -0.06 0.52 0.00 0.00 0.00 179.25 179.23 1htt h MET 345 N -0.02 0.74 -0.51 0.00 2.86 -0.94 -1.48 114.93 115.57 1htt h MET 345 Ca 0.10 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.47 1htt h MET 345 Cb 0.18 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1htt h MET 345 CO -0.22 0.79 0.09 0.00 1.06 0.00 0.00 176.91 178.64 1htt h ALA 346 N 1.25 0.67 -0.16 6.32 0.00 -0.31 -1.36 119.26 125.68 1htt h ALA 346 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1htt h ALA 346 Cb 0.51 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1htt h ALA 346 CO 0.03 0.40 0.10 1.25 0.00 0.00 0.00 179.25 181.03 1htt h LEU 347 N 0.72 0.17 -0.74 0.00 5.85 -0.77 -1.73 115.31 118.80 1htt h LEU 347 Ca 0.16 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.95 1htt h LEU 347 Cb 0.38 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 1htt h LEU 347 CO 0.01 0.12 0.41 0.00 -0.34 0.00 0.00 178.44 178.64 1htt h ALA 348 N 1.06 1.02 -0.38 1.25 0.00 -1.10 0.32 119.26 121.43 1htt h ALA 348 Ca 0.06 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1htt h ALA 348 Cb -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1htt h ALA 348 CO -0.02 0.07 -0.09 0.93 0.00 0.00 0.00 179.25 180.14 1htt h GLU 349 N 0.73 0.65 -0.11 0.00 4.39 -0.77 -0.86 114.58 118.61 1htt h GLU 349 Ca 0.35 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.82 1htt h GLU 349 Cb 0.27 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1htt h GLU 349 CO -0.22 0.74 -0.05 -0.09 -1.16 0.00 0.00 179.01 178.22 1htt h ARG 350 N 0.60 0.24 0.00 2.33 1.12 -0.36 -2.12 114.38 116.19 1htt h ARG 350 Ca 0.11 -0.10 -0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1htt h ARG 350 Cb 0.51 -0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.46 1htt h ARG 350 CO 0.03 0.58 -0.01 -0.07 -3.11 0.00 0.00 179.97 177.39 1htt h LEU 351 N -0.11 0.00 -0.30 3.80 3.38 -0.65 -0.25 115.31 121.18 1htt h LEU 351 Ca 0.03 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 1htt h LEU 351 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1htt h LEU 351 CO 0.02 0.01 -0.64 0.03 0.09 0.00 0.00 178.44 177.94 1htt h ARG 352 N 0.00 0.75 -0.45 1.13 3.08 -0.63 0.60 114.38 118.86 1htt h ARG 352 Ca -0.00 -0.53 -0.04 0.00 0.07 0.00 0.00 59.98 59.47 1htt h ARG 352 Cb 0.04 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1htt h ARG 352 CO 0.00 1.15 0.12 -0.44 -1.07 0.00 0.00 179.97 179.74 1htt h ASP 353 N 0.55 0.68 0.76 7.04 3.32 -0.47 -3.27 116.42 125.02 1htt h ASP 353 Ca -0.01 -0.23 -0.20 0.00 0.02 0.00 0.00 57.03 56.61 1htt h ASP 353 Cb 1.25 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 1htt h ASP 353 CO 0.13 0.73 -0.92 -0.33 -1.72 0.00 0.00 179.24 177.13 1htt h GLU 354 N 0.60 0.09 -3.14 3.56 5.08 -1.08 -3.38 114.58 116.32 1htt h GLU 354 Ca 0.14 -0.12 -0.62 0.00 -1.00 0.00 0.00 59.36 57.76 1htt h GLU 354 Cb 0.31 0.04 -0.42 0.00 0.50 0.00 0.00 28.75 29.18 1htt h GLU 354 CO -0.00 0.94 -0.59 -0.51 -1.00 0.00 0.00 179.01 177.85 1htt s LEU 355 N -7.15 4.70 0.14 1.33 1.43 0.20 -5.06 118.68 114.26 1htt s LEU 355 Ca -0.01 -3.69 -0.33 0.00 -1.03 0.00 0.00 54.13 49.08 1htt s LEU 355 Cb 0.10 -1.63 -0.12 0.00 0.03 0.00 0.00 46.19 44.57 1htt s LEU 355 CO 0.82 -0.11 1.72 -0.81 0.23 0.00 0.00 176.35 178.19 1htt n PRO 356 N 2.20 2.51 -2.15 1.29 -0.04 -1.25 -2.63 135.00 134.93 1htt n PRO 356 Ca 0.17 0.91 -0.04 0.00 -0.04 0.00 0.00 63.50 64.49 1htt n PRO 356 Cb 0.34 -2.74 -0.00 0.00 -0.04 0.00 0.00 33.50 31.06 1htt n PRO 356 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1htt n GLY 357 N 3.88 0.24 3.62 0.55 0.00 -1.26 -5.04 105.19 107.18 1htt n GLY 357 Ca 0.17 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 1htt n GLY 357 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1htt s VAL 358 N -2.30 4.70 -0.64 1.61 1.01 -1.08 -5.06 120.40 118.64 1htt s VAL 358 Ca 0.01 -0.07 -0.28 0.00 0.00 0.00 0.00 61.98 61.65 1htt s VAL 358 Cb -0.01 -3.11 0.03 0.00 0.00 0.00 0.00 36.38 33.29 1htt s VAL 358 CO 0.02 0.46 1.24 -0.54 0.00 0.00 0.00 175.10 176.28 1htt s LYS 359 N 0.39 3.37 -0.12 2.72 3.01 -1.26 -4.97 119.74 122.88 1htt s LYS 359 Ca 0.02 0.07 0.01 0.00 -1.01 0.00 0.00 55.97 55.07 1htt s LYS 359 Cb -0.13 -4.09 -0.01 0.00 -1.01 0.00 0.00 37.83 32.60 1htt s LYS 359 CO 0.00 -1.88 -0.17 -1.17 0.51 0.00 0.00 175.35 172.64 1htt s LEU 360 N 5.34 2.51 -0.12 3.17 0.20 -1.26 -0.31 118.68 128.22 1htt s LEU 360 Ca 0.40 -0.40 0.02 0.00 0.69 0.00 0.00 54.13 54.85 1htt s LEU 360 Cb -0.08 -1.54 0.01 0.00 -0.43 0.00 0.00 46.19 44.15 1htt s LEU 360 CO 0.21 0.17 -0.19 -0.32 -0.29 0.00 0.00 176.35 175.93 1htt s MET 361 N 0.33 2.62 -0.33 1.98 1.75 -0.39 -4.99 119.30 120.26 1htt s MET 361 Ca -0.13 -0.71 -0.22 0.00 -1.25 0.00 0.00 55.69 53.38 1htt s MET 361 Cb -0.17 -2.14 0.00 0.00 2.84 0.00 0.00 34.83 35.37 1htt s MET 361 CO 0.07 -0.02 0.73 0.99 -0.65 0.00 0.00 175.02 176.15 1htt s THR 362 N 0.84 4.82 0.35 10.11 2.01 -1.26 -0.60 115.64 131.91 1htt s THR 362 Ca -0.08 0.95 -0.28 0.00 0.31 0.00 0.00 61.69 62.59 1htt s THR 362 Cb -0.15 -4.13 -0.12 0.00 0.01 0.00 0.00 72.50 68.11 1htt s THR 362 CO -0.00 -0.29 1.26 -3.20 -0.69 0.00 0.00 174.62 171.70 1htt n ASN 363 N 6.18 2.59 -4.07 3.53 5.15 -0.42 -4.94 115.26 123.27 1htt n ASN 363 Ca 0.02 1.19 -0.09 0.00 -0.60 0.00 0.00 54.58 55.10 1htt n ASN 363 Cb 0.48 -1.47 -0.10 0.00 -0.53 0.00 0.00 39.78 38.16 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 -1.11 0.53 -0.01 1.20 3.76 -1.26 -4.88 115.29 113.52 1htt s HIS 364 Ca 0.57 -0.85 0.00 0.00 -0.15 0.00 0.00 55.06 54.62 1htt s HIS 364 Cb -0.57 -0.36 0.00 0.00 1.11 0.00 0.00 32.58 32.76 1htt s HIS 364 CO 0.61 -0.26 0.00 0.41 -0.85 0.00 0.00 174.74 174.65 1htt n GLY 365 N 0.59 0.38 7.00 -2.22 0.00 -1.26 -4.87 105.19 104.80 1htt n GLY 365 Ca -0.17 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.95 0.92 0.00 -0.02 0.00 -1.26 -5.03 105.19 97.85 1htt n GLY 366 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 2.92 3.84 -0.02 0.00 -1.26 -4.88 105.19 105.79 1htt n GLY 367 Ca 0.00 -1.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.15 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 4.45 0.37 1.61 2.20 -1.26 -4.73 114.94 117.57 1htt s ASN 368 Ca 0.00 1.03 0.12 0.00 -0.94 0.00 0.00 52.86 53.08 1htt s ASN 368 Cb 0.00 -1.67 0.93 0.00 -2.00 0.00 0.00 41.25 38.51 1htt s ASN 368 CO 0.00 -1.97 1.82 -0.26 -2.94 0.00 0.00 177.10 173.75 1htt h PHE 369 N -1.09 0.78 -0.48 1.54 0.04 -1.97 -0.28 116.94 115.47 1htt h PHE 369 Ca -0.47 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.29 1htt h PHE 369 Cb 1.30 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 39.19 1htt h PHE 369 CO 0.38 0.19 0.16 -0.22 -0.60 0.00 0.00 178.31 178.23 1htt h LYS 370 N 0.57 0.74 0.17 1.51 3.64 -1.99 0.16 116.57 121.38 1htt h LYS 370 Ca 0.52 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 1htt h LYS 370 Cb 1.05 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1htt h LYS 370 CO -0.26 0.69 -0.08 0.87 -2.27 0.00 0.00 179.45 178.40 1htt h LYS 371 N 0.65 -0.22 -0.86 1.90 1.57 -1.45 -1.76 116.57 116.38 1htt h LYS 371 Ca 0.16 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.04 1htt h LYS 371 Cb 0.25 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 1htt h LYS 371 CO -0.01 0.01 0.56 1.96 -0.57 0.00 0.00 179.45 181.40 1htt h GLN 372 N -0.43 0.87 -0.43 3.15 4.20 -1.10 -0.40 115.11 120.98 1htt h GLN 372 Ca -0.02 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.49 1htt h GLN 372 Cb 0.33 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1htt h GLN 372 CO 0.04 0.58 -0.29 0.74 -0.67 0.00 0.00 178.83 179.22 1htt h PHE 373 N 0.90 1.10 -0.53 2.96 0.04 -0.72 -1.49 116.94 119.19 1htt h PHE 373 Ca 0.39 -0.29 -0.05 0.00 2.80 0.00 0.00 57.97 60.81 1htt h PHE 373 Cb 0.33 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 1htt h PHE 373 CO -0.00 1.11 0.11 0.00 -0.60 0.00 0.00 178.31 178.92 1htt h ALA 374 N 0.86 1.19 -0.80 2.45 0.00 -0.53 -2.02 119.26 120.42 1htt h ALA 374 Ca 0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1htt h ALA 374 Cb 0.87 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1htt h ALA 374 CO 0.08 0.55 0.33 0.00 0.00 0.00 0.00 179.25 180.21 1htt h ARG 375 N 0.79 1.18 -0.70 0.00 3.08 -0.84 -0.31 114.38 117.59 1htt h ARG 375 Ca 0.17 -0.20 0.04 0.00 0.07 0.00 0.00 59.98 60.05 1htt h ARG 375 Cb 0.32 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 1htt h ARG 375 CO 0.00 0.94 0.46 0.00 -1.07 0.00 0.00 179.97 180.31 1htt h ALA 376 N 1.18 1.62 -0.39 0.04 0.00 -0.62 -1.89 119.26 119.21 1htt h ALA 376 Ca 0.27 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 1htt h ALA 376 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1htt h ALA 376 CO -0.02 0.30 -0.29 -0.44 0.00 0.00 0.00 179.25 178.80 1htt h ASP 377 N 0.82 0.92 -0.83 0.00 3.32 -0.62 -1.20 116.42 118.83 1htt h ASP 377 Ca 0.28 -0.44 0.12 0.00 0.02 0.00 0.00 57.03 57.02 1htt h ASP 377 Cb 0.10 -0.26 -0.08 0.00 0.22 0.00 0.00 39.33 39.30 1htt h ASP 377 CO -0.08 1.17 0.44 0.50 -1.72 0.00 0.00 179.24 179.54 1htt h LYS 378 N 0.68 0.66 0.00 3.56 3.64 -0.28 -2.49 116.57 122.34 1htt h LYS 378 Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1htt h LYS 378 Cb 0.87 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1htt h LYS 378 CO 0.08 0.44 -0.13 0.91 -2.27 0.00 0.00 179.45 178.48 1htt n TRP 379 N -4.82 0.24 -1.89 1.91 7.02 -1.02 -4.93 117.44 113.95 1htt n TRP 379 Ca 0.15 0.07 0.00 0.00 -1.02 0.00 0.00 57.50 56.70 1htt n TRP 379 Cb 0.36 -0.56 0.00 0.00 -2.42 0.00 0.00 31.31 28.69 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 1.45 0.61 3.77 6.99 0.00 -0.94 -3.52 105.19 113.55 1htt n GLY 380 Ca 0.06 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.16 3.06 -0.13 4.61 0.00 -0.47 -4.66 121.76 122.00 1htt s ALA 381 Ca 0.00 0.85 0.17 0.00 0.00 0.00 0.00 51.96 52.98 1htt s ALA 381 Cb 0.00 -3.34 -0.24 0.00 0.00 0.00 0.00 23.12 19.55 1htt s ALA 381 CO 0.00 -0.45 0.38 0.54 0.00 0.00 0.00 175.76 176.23 1htt n ARG 382 N -0.19 0.66 -4.51 0.00 1.74 0.21 -4.79 116.66 109.79 1htt n ARG 382 Ca 0.06 0.07 -0.21 0.00 -0.77 0.00 0.00 57.85 57.01 1htt n ARG 382 Cb 0.48 -1.63 -0.15 0.00 -1.02 0.00 0.00 32.46 30.15 1htt n ARG 382 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1htt s VAL 383 N -2.72 0.95 -0.10 1.55 1.01 -1.17 -0.63 120.40 119.28 1htt s VAL 383 Ca -0.07 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1htt s VAL 383 Cb 0.08 -0.80 -0.00 0.00 0.00 0.00 0.00 36.38 35.65 1htt s VAL 383 CO 0.84 0.23 -0.22 0.00 0.00 0.00 0.00 175.10 175.95 1htt s ALA 384 N -0.35 2.28 -0.20 5.51 0.00 -0.47 -1.99 121.76 126.54 1htt s ALA 384 Ca 0.04 -0.96 -0.11 0.00 0.00 0.00 0.00 51.96 50.94 1htt s ALA 384 Cb -0.05 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.13 1htt s ALA 384 CO -0.00 0.29 0.18 0.08 0.00 0.00 0.00 175.76 176.30 1htt s VAL 385 N 0.31 5.38 0.07 0.00 1.01 -0.17 -1.06 120.40 125.92 1htt s VAL 385 Ca -0.16 0.28 0.06 0.00 0.00 0.00 0.00 61.98 62.16 1htt s VAL 385 Cb -0.17 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1htt s VAL 385 CO 0.08 0.41 -0.13 -0.69 0.00 0.00 0.00 175.10 174.78 1htt s VAL 386 N 0.50 3.20 -0.22 2.92 1.01 -0.31 -0.66 120.40 126.85 1htt s VAL 386 Ca 0.10 -1.16 -0.07 0.00 0.00 0.00 0.00 61.98 60.85 1htt s VAL 386 Cb -0.12 -2.43 0.10 0.00 0.00 0.00 0.00 36.38 33.93 1htt s VAL 386 CO 0.00 0.24 0.45 -1.48 0.00 0.00 0.00 175.10 174.31 1htt s LEU 387 N -1.80 -0.73 0.00 3.92 0.05 -0.86 -2.26 118.68 116.99 1htt s LEU 387 Ca 0.18 0.97 0.01 0.00 0.05 0.00 0.00 54.13 55.35 1htt s LEU 387 Cb -0.11 1.47 0.01 0.00 -2.05 0.00 0.00 46.19 45.51 1htt s LEU 387 CO 0.10 -0.24 0.10 0.61 -0.55 0.00 0.00 176.35 176.37 1htt n GLY 388 N 5.40 2.95 0.33 -3.48 0.00 -1.26 -1.43 105.19 107.70 1htt n GLY 388 Ca -0.08 -2.20 -0.03 0.00 0.00 0.00 0.00 46.02 43.71 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 1.12 -0.18 1.61 4.57 -1.91 -2.36 114.58 117.43 1htt h GLU 389 Ca -0.08 -0.07 0.05 0.00 -1.18 0.00 0.00 59.36 58.08 1htt h GLU 389 Cb 0.31 -0.25 -0.05 0.00 -0.16 0.00 0.00 28.75 28.60 1htt h GLU 389 CO 0.13 0.74 -0.13 0.77 -1.18 0.00 0.00 179.01 179.34 1htt h SER 390 N 1.15 -0.42 -0.90 1.04 0.02 -1.96 0.74 113.55 113.23 1htt h SER 390 Ca 0.32 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 1htt h SER 390 Cb -0.12 0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 1htt h SER 390 CO -0.07 -0.17 0.57 -0.33 -1.14 0.00 0.00 176.83 175.69 1htt h GLU 391 N -0.13 1.21 -0.40 3.45 3.07 -1.79 0.11 114.58 120.10 1htt h GLU 391 Ca 0.11 -0.09 -0.04 0.00 -0.50 0.00 0.00 59.36 58.83 1htt h GLU 391 Cb 0.29 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 1htt h GLU 391 CO -0.26 0.83 0.09 0.28 -1.40 0.00 0.00 179.01 178.54 1htt h VAL 392 N 1.23 1.23 -0.19 3.13 2.07 -0.67 0.85 116.25 123.91 1htt h VAL 392 Ca 0.33 -0.81 -0.20 0.00 0.82 0.00 0.00 66.70 66.84 1htt h VAL 392 Cb -0.09 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1htt h VAL 392 CO -0.07 0.28 -0.68 0.00 0.02 0.00 0.00 177.57 177.12 1htt h ALA 393 N 0.94 0.43 -0.02 1.67 0.00 -0.09 -3.14 119.26 119.05 1htt h ALA 393 Ca 0.12 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1htt h ALA 393 Cb 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1htt h ALA 393 CO 0.00 0.69 0.00 0.09 0.00 0.00 0.00 179.25 180.04 1htt n ASN 394 N -3.95 0.37 -1.27 0.00 3.02 0.31 -4.92 115.26 108.81 1htt n ASN 394 Ca -0.06 -1.28 -0.14 0.00 -0.03 0.00 0.00 54.58 53.07 1htt n ASN 394 Cb 0.69 -0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.81 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 0.97 0.79 3.89 7.41 0.00 -0.13 -5.01 105.19 113.10 1htt n GLY 395 Ca 0.19 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.59 1.94 -0.09 2.61 -4.23 0.11 -2.66 115.64 110.72 1htt s THR 396 Ca 0.00 -1.46 -0.07 0.00 -1.18 0.00 0.00 61.69 58.97 1htt s THR 396 Cb 0.00 -2.40 0.03 0.00 1.34 0.00 0.00 72.50 71.47 1htt s THR 396 CO 0.00 0.00 0.24 0.00 -0.54 0.00 0.00 174.62 174.32 1htt s ALA 397 N -2.69 -0.57 -0.20 3.99 0.00 -0.31 -4.48 121.76 117.49 1htt s ALA 397 Ca 0.39 0.78 -0.19 0.00 0.00 0.00 0.00 51.96 52.93 1htt s ALA 397 Cb -0.02 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 1htt s ALA 397 CO 0.23 -0.14 0.56 0.08 0.00 0.00 0.00 175.76 176.49 1htt s VAL 398 N 0.51 5.08 -0.31 0.00 1.01 -0.96 -0.93 120.40 124.80 1htt s VAL 398 Ca -0.03 1.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.86 1htt s VAL 398 Cb -0.05 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1htt s VAL 398 CO -0.03 0.15 0.21 -0.69 0.00 0.00 0.00 175.10 174.74 1htt s VAL 399 N 1.75 5.23 -0.26 2.92 1.01 0.36 -1.16 120.40 130.25 1htt s VAL 399 Ca 0.26 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 1htt s VAL 399 Cb -0.16 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1htt s VAL 399 CO 0.10 0.12 0.00 -0.75 0.00 0.00 0.00 175.10 174.58 1htt s LYS 400 N 1.73 3.07 -0.58 2.72 2.20 -0.23 -1.34 119.74 127.31 1htt s LYS 400 Ca 0.06 -0.85 -0.28 0.00 -0.36 0.00 0.00 55.97 54.55 1htt s LYS 400 Cb -0.17 -3.16 0.03 0.00 -1.51 0.00 0.00 37.83 33.02 1htt s LYS 400 CO 0.10 -0.37 1.25 0.34 -0.36 0.00 0.00 175.35 176.31 1htt s ASP 401 N 1.43 6.36 0.53 1.43 -1.08 -0.60 -1.37 116.67 123.38 1htt s ASP 401 Ca 0.02 0.14 0.30 0.00 -0.52 0.00 0.00 52.55 52.48 1htt s ASP 401 Cb -0.16 -2.55 1.49 0.00 -1.46 0.00 0.00 42.92 40.23 1htt s ASP 401 CO -0.01 -1.55 2.07 -0.07 0.52 0.00 0.00 175.17 176.13 1htt h LEU 402 N 12.25 0.00 -0.97 -1.34 3.38 -1.20 0.27 115.31 127.70 1htt h LEU 402 Ca -0.26 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 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 1.19 0.10 -0.36 0.03 0.09 0.00 0.00 178.44 179.49 1htt h ARG 403 N 0.00 0.29 0.00 1.13 3.08 -1.88 -3.37 114.38 113.63 1htt h ARG 403 Ca -0.00 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1htt h ARG 403 Cb 0.36 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1htt h ARG 403 CO 0.01 0.62 -0.45 -1.13 -1.07 0.00 0.00 179.97 177.96 1htt n SER 404 N -4.06 2.23 0.00 7.04 3.41 -0.64 -5.00 113.62 116.60 1htt n SER 404 Ca -0.01 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 1htt n SER 404 Cb 0.45 0.95 0.00 0.00 -0.26 0.00 0.00 64.21 65.35 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 1.62 1.47 3.62 5.00 0.00 0.85 -5.00 105.19 112.74 1htt n GLY 405 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1htt n GLY 405 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1htt s GLU 406 N -0.56 3.58 -0.11 1.61 2.02 -1.24 -4.67 118.70 119.33 1htt s GLU 406 Ca 0.00 1.63 0.02 0.00 0.02 0.00 0.00 54.97 56.64 1htt s GLU 406 Cb 0.00 -4.13 -0.01 0.00 0.10 0.00 0.00 34.13 30.09 1htt s GLU 406 CO 0.00 -1.57 -0.19 1.14 0.02 0.00 0.00 175.26 174.67 1htt s GLN 407 N 5.18 3.18 0.01 1.61 1.03 -1.26 -1.56 119.66 127.86 1htt s GLN 407 Ca 0.77 -0.79 0.06 0.00 0.04 0.00 0.00 55.36 55.45 1htt s GLN 407 Cb -0.25 -2.45 -0.02 0.00 0.03 0.00 0.00 33.01 30.32 1htt s GLN 407 CO 0.32 0.21 -0.18 0.95 -2.54 0.00 0.00 175.29 174.05 1htt s THR 408 N 0.31 1.46 -0.16 3.63 -4.23 -0.45 -4.92 115.64 111.28 1htt s THR 408 Ca -0.14 -0.94 -0.25 0.00 -1.18 0.00 0.00 61.69 59.17 1htt s THR 408 Cb -0.17 -1.25 -0.02 0.00 1.34 0.00 0.00 72.50 72.41 1htt s THR 408 CO 0.07 0.28 0.84 0.00 -0.54 0.00 0.00 174.62 175.27 1htt s ALA 409 N -0.60 3.50 0.12 3.99 0.00 -1.26 -0.49 121.76 127.02 1htt s ALA 409 Ca 0.06 0.06 0.10 0.00 0.00 0.00 0.00 51.96 52.18 1htt s ALA 409 Cb -0.08 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1htt s ALA 409 CO 0.00 -0.63 -0.22 0.08 0.00 0.00 0.00 175.76 174.99 1htt s VAL 410 N 2.09 2.56 0.38 0.00 1.01 -0.10 -4.96 120.40 121.38 1htt s VAL 410 Ca 0.39 -1.63 -0.27 0.00 0.00 0.00 0.00 61.98 60.47 1htt s VAL 410 Cb -0.17 -2.16 -0.09 0.00 0.00 0.00 0.00 36.38 33.96 1htt s VAL 410 CO 0.13 0.09 1.25 0.00 0.00 0.00 0.00 175.10 176.57 1htt s ALA 411 N -1.11 3.29 0.37 5.51 0.00 -1.26 -1.16 121.76 127.40 1htt s ALA 411 Ca 0.16 1.13 0.13 0.00 0.00 0.00 0.00 51.96 53.38 1htt s ALA 411 Cb -0.10 -3.44 0.93 0.00 0.00 0.00 0.00 23.12 20.51 1htt s ALA 411 CO 0.08 -0.63 1.82 1.96 0.00 0.00 0.00 175.76 178.99 1htt h GLN 412 N 2.92 0.55 0.00 0.00 4.20 -1.79 0.24 115.11 121.25 1htt h GLN 412 Ca -0.49 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.17 1htt h GLN 412 Cb 1.24 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.89 1htt h GLN 412 CO 0.64 0.37 -0.08 -0.44 -0.67 0.00 0.00 178.83 178.64 1htt h ASP 413 N 0.57 0.00 -0.01 1.46 5.19 -1.90 -2.63 116.42 119.09 1htt h ASP 413 Ca 0.52 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.93 1htt h ASP 413 Cb 1.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.56 1htt h ASP 413 CO -0.26 0.08 -0.24 -1.20 -3.12 0.00 0.00 179.24 174.49 1htt n SER 414 N -3.67 1.76 -0.13 6.45 7.64 0.81 -4.61 113.62 121.86 1htt n SER 414 Ca -0.02 -1.38 -0.03 0.00 1.01 0.00 0.00 58.87 58.45 1htt n SER 414 Cb 0.18 0.36 0.18 0.00 -1.01 0.00 0.00 64.21 63.92 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 2.06 1.23 0.17 0.44 -1.51 -1.02 -2.65 116.25 114.97 1htt h VAL 415 Ca 0.00 -0.85 0.01 0.00 -1.23 0.00 0.00 66.70 64.63 1htt h VAL 415 Cb 0.56 0.70 -0.03 0.00 -2.13 0.00 0.00 31.29 30.38 1htt h VAL 415 CO 0.00 0.32 -0.31 0.00 -1.23 0.00 0.00 177.57 176.35 1htt h ALA 416 N 1.32 -0.57 -1.00 5.19 0.00 -1.82 0.35 119.26 122.73 1htt h ALA 416 Ca 0.17 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.13 1htt h ALA 416 Cb 0.32 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 1htt h ALA 416 CO 0.00 -0.87 0.63 0.00 0.00 0.00 0.00 179.25 179.01 1htt h ALA 417 N 0.07 1.50 -0.00 0.00 0.00 -1.86 -0.13 119.26 118.83 1htt h ALA 417 Ca 0.02 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1htt h ALA 417 Cb 0.57 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1htt h ALA 417 CO -0.15 0.24 -0.31 0.45 0.00 0.00 0.00 179.25 179.49 1htt h HIS 418 N 1.01 0.01 -0.07 0.00 3.86 -0.84 -1.79 115.15 117.33 1htt h HIS 418 Ca 0.49 -0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.47 1htt h HIS 418 Cb 0.46 -0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.94 1htt h HIS 418 CO -0.00 0.32 -0.85 -0.07 0.86 0.00 0.00 177.93 178.19 1htt h LEU 419 N 0.01 0.87 -0.75 2.43 3.38 0.30 -2.47 115.31 119.08 1htt h LEU 419 Ca -0.00 -0.69 0.08 0.00 0.09 0.00 0.00 57.88 57.37 1htt h LEU 419 Cb 0.56 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 1htt h LEU 419 CO 0.04 1.43 0.41 0.03 0.09 0.00 0.00 178.44 180.44 1htt h ARG 420 N 0.39 0.68 -0.27 1.13 3.08 -0.56 0.23 114.38 119.05 1htt h ARG 420 Ca -0.09 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1htt h ARG 420 Cb 1.50 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.38 1htt h ARG 420 CO 0.17 0.45 0.17 1.15 -1.07 0.00 0.00 179.97 180.85 1htt h THR 421 N 0.70 1.08 0.00 2.04 2.02 -1.35 -1.80 112.91 115.60 1htt h THR 421 Ca 0.35 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 67.32 1htt h THR 421 Cb 0.31 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1htt h THR 421 CO -0.24 0.08 -0.17 -0.07 0.37 0.00 0.00 175.52 175.49 1htt h LEU 422 N 0.36 0.00 0.00 2.58 3.38 -0.23 -3.36 115.31 118.04 1htt h LEU 422 Ca 0.10 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.64 1htt h LEU 422 Cb -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 1htt h LEU 422 CO -0.02 0.17 -2.34 0.18 0.09 0.00 0.00 178.44 176.52 1htt n LEU 423 N -3.26 2.01 0.00 1.67 4.77 0.49 -5.07 117.00 117.61 1htt n LEU 423 Ca 0.01 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1htt n LEU 423 Cb 0.45 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1htt n LEU 423 CO 0.33 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.55