#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hri s VAL 48 N 0.00 2.69 -0.20 1.12 -7.23 -1.26 -4.86 120.40 110.67 3hri s VAL 48 Ca 0.00 0.22 -0.28 0.00 -1.81 0.00 0.00 61.98 60.11 3hri s VAL 48 Cb 0.00 -2.56 -0.05 0.00 0.56 0.00 0.00 36.38 34.33 3hri s VAL 48 CO 0.00 -0.29 2.21 -1.84 -0.31 0.00 0.00 175.10 174.87 3hri n GLU 49 N -3.94 2.03 0.21 4.82 -0.00 -1.26 -4.80 120.64 117.71 3hri n GLU 49 Ca 0.08 0.57 0.14 0.00 -0.00 0.00 0.00 57.16 57.96 3hri n GLU 49 Cb 0.54 -3.23 0.43 0.00 -0.00 0.00 0.00 31.44 29.18 3hri n GLU 49 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 3hri h THR 50 N 7.04 0.00 -4.02 3.84 1.35 -2.09 -3.45 112.91 115.59 3hri h THR 50 Ca -0.42 -0.66 -0.50 0.00 -0.55 0.00 0.00 66.41 64.29 3hri h THR 50 Cb 1.24 1.62 0.05 0.00 -1.73 0.00 0.00 68.15 69.33 3hri h THR 50 CO 0.96 0.00 0.28 -1.61 -0.25 0.00 0.00 175.52 174.90 3hri s GLU 51 N -3.37 3.59 0.79 4.72 2.02 -1.26 -5.07 118.70 120.12 3hri s GLU 51 Ca 0.05 0.52 -0.12 0.00 0.02 0.00 0.00 54.97 55.45 3hri s GLU 51 Cb 0.08 -2.21 0.07 0.00 0.10 0.00 0.00 34.13 32.17 3hri s GLU 51 CO 0.58 -0.40 1.16 -1.25 0.02 0.00 0.00 175.26 175.37 3hri s PRO 52 N -4.93 2.11 0.29 0.39 0.04 -1.26 -5.00 135.00 126.63 3hri s PRO 52 Ca 0.52 0.19 -0.28 0.00 0.04 0.00 0.00 61.00 61.47 3hri s PRO 52 Cb -0.11 -1.96 -0.14 0.00 0.04 0.00 0.00 34.50 32.34 3hri s PRO 52 CO 0.49 -1.51 1.03 0.28 0.04 0.00 0.00 177.00 177.33 3hri n VAL 53 N -3.28 1.97 -1.61 -0.36 0.31 -1.26 -4.79 118.33 109.32 3hri n VAL 53 Ca 0.08 -0.49 -0.49 0.00 -0.01 0.00 0.00 64.34 63.43 3hri n VAL 53 Cb 0.60 -1.04 -0.05 0.00 -0.91 0.00 0.00 33.84 32.45 3hri n VAL 53 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3hri n GLN 54 N 0.73 1.45 -1.00 5.55 -0.06 -1.26 -1.73 117.38 121.05 3hri n GLN 54 Ca 0.09 0.52 -0.00 0.00 -2.00 0.00 0.00 57.00 55.61 3hri n GLN 54 Cb 0.32 -2.14 -0.00 0.00 -4.06 0.00 0.00 30.24 24.36 3hri n GLN 54 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3hri n GLY 55 N 2.44 0.47 3.36 1.69 0.00 -1.26 -4.95 105.19 106.94 3hri n GLY 55 Ca 0.16 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3hri n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hri s ARG 57 N -1.41 3.28 0.25 0.00 0.52 -1.26 -4.73 118.95 115.60 3hri s ARG 57 Ca 0.12 -0.25 -0.14 0.00 -0.52 0.00 0.00 55.73 54.93 3hri s ARG 57 Cb -0.10 -3.03 -0.08 0.00 0.52 0.00 0.00 34.95 32.26 3hri s ARG 57 CO 0.03 0.72 0.66 -0.51 0.02 0.00 0.00 175.30 176.22 3hri s ASP 58 N -0.90 6.80 -0.65 0.23 1.01 -1.26 -5.04 116.67 116.88 3hri s ASP 58 Ca 0.14 1.19 0.05 0.00 0.71 0.00 0.00 52.55 54.64 3hri s ASP 58 Cb -0.12 -2.33 0.20 0.00 1.01 0.00 0.00 42.92 41.68 3hri s ASP 58 CO 0.03 -0.08 0.57 0.49 0.21 0.00 0.00 175.17 176.40 3hri n PHE 59 N 0.10 2.91 -0.96 4.23 3.01 -1.26 -4.92 117.46 120.57 3hri n PHE 59 Ca 0.00 -4.15 -0.30 0.00 1.01 0.00 0.00 57.45 54.01 3hri n PHE 59 Cb 0.52 -0.52 0.15 0.00 -0.01 0.00 0.00 39.48 39.62 3hri n PHE 59 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3hri s PRO 60 N -1.70 1.05 0.27 -1.08 0.04 -1.26 -4.38 135.00 127.94 3hri s PRO 60 Ca 0.31 1.12 -0.05 0.00 0.04 0.00 0.00 61.00 62.43 3hri s PRO 60 Cb 0.04 -1.76 0.53 0.00 0.04 0.00 0.00 34.50 33.35 3hri s PRO 60 CO -0.11 -2.47 1.61 -1.35 0.04 0.00 0.00 177.00 174.71 3hri h PRO 61 N -1.73 0.06 -0.64 0.56 0.11 -1.98 0.22 132.00 128.60 3hri h PRO 61 Ca -0.48 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.76 3hri h PRO 61 Cb 1.28 -0.01 -0.10 0.00 0.11 0.00 0.00 31.00 32.27 3hri h PRO 61 CO 0.49 0.04 0.05 1.05 -0.21 0.00 0.00 178.00 179.42 3hri h GLU 62 N 0.06 0.16 0.11 1.05 4.11 -1.96 -0.87 114.58 117.24 3hri h GLU 62 Ca 0.47 -0.01 -0.27 0.00 0.07 0.00 0.00 59.36 59.62 3hri h GLU 62 Cb 0.87 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.09 3hri h GLU 62 CO -0.79 0.11 -1.20 1.15 0.07 0.00 0.00 179.01 178.35 3hri h THR 63 N 0.16 1.42 0.00 -1.06 2.02 -1.00 -3.25 112.91 111.20 3hri h THR 63 Ca 0.34 -2.79 -0.02 0.00 0.77 0.00 0.00 66.41 64.70 3hri h THR 63 Cb 0.56 2.80 -0.00 0.00 -1.74 0.00 0.00 68.15 69.76 3hri h THR 63 CO -0.51 0.83 -0.12 -0.03 0.37 0.00 0.00 175.52 176.06 3hri h MET 64 N 0.15 0.00 -0.25 6.66 -1.53 -0.50 -2.26 114.93 117.19 3hri h MET 64 Ca -0.14 0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.08 3hri h MET 64 Cb 1.89 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 32.93 3hri h MET 64 CO 0.21 0.12 -0.00 -0.09 0.14 0.00 0.00 176.91 177.28 3hri h ARG 65 N 0.00 0.44 -0.72 0.39 2.43 -1.20 0.14 114.38 115.86 3hri h ARG 65 Ca -0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3hri h ARG 65 Cb 0.21 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 3hri h ARG 65 CO 0.02 0.61 0.45 1.25 -1.51 0.00 0.00 179.97 180.79 3hri h LEU 66 N 0.22 0.85 -0.46 3.80 5.85 -1.56 -0.78 115.31 123.21 3hri h LEU 66 Ca 0.07 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 3hri h LEU 66 Cb 0.41 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3hri h LEU 66 CO 0.01 0.64 0.08 -0.09 -0.34 0.00 0.00 178.44 178.74 3hri h ARG 67 N 0.98 0.77 -0.29 1.25 2.43 -1.24 -1.20 114.38 117.07 3hri h ARG 67 Ca 0.26 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3hri h ARG 67 Cb -0.07 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3hri h ARG 67 CO -0.05 0.78 0.02 -0.22 -1.51 0.00 0.00 179.97 178.99 3hri h LYS 68 N 0.64 0.44 -0.12 0.20 3.64 -0.53 0.24 116.57 121.06 3hri h LYS 68 Ca 0.14 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 3hri h LYS 68 Cb 0.38 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3hri h LYS 68 CO 0.01 0.45 -0.54 -0.92 -2.27 0.00 0.00 179.45 176.18 3hri h TYR 69 N 0.43 0.44 -0.01 1.91 3.20 -0.59 -1.50 116.97 120.85 3hri h TYR 69 Ca 0.10 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 61.79 3hri h TYR 69 Cb 0.25 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.43 3hri h TYR 69 CO 0.01 0.81 -0.07 1.25 -1.64 0.00 0.00 178.16 178.52 3hri h LEU 70 N 0.27 0.09 -1.38 2.82 5.85 -0.78 -3.28 115.31 118.90 3hri h LEU 70 Ca 0.01 -0.67 -0.06 0.00 0.84 0.00 0.00 57.88 57.99 3hri h LEU 70 Cb 1.03 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 3hri h LEU 70 CO 0.09 0.75 -0.23 -0.26 -0.34 0.00 0.00 178.44 178.44 3hri h PHE 71 N -0.56 0.12 -0.67 1.25 -1.00 -0.95 -0.10 116.94 115.02 3hri h PHE 71 Ca -0.01 -0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.77 3hri h PHE 71 Cb 0.75 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 40.24 3hri h PHE 71 CO 0.16 0.34 0.45 -0.44 -1.61 0.00 0.00 178.31 177.20 3hri h ASP 72 N 0.10 0.76 -0.45 2.17 5.19 -1.39 0.52 116.42 123.33 3hri h ASP 72 Ca 0.02 -0.02 -0.11 0.00 -0.62 0.00 0.00 57.03 56.30 3hri h ASP 72 Cb 0.48 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.78 3hri h ASP 72 CO 0.03 0.54 -0.14 0.58 -3.12 0.00 0.00 179.24 177.13 3hri h VAL 73 N 0.89 1.27 -0.12 -1.35 2.07 -1.08 0.34 116.25 118.28 3hri h VAL 73 Ca 0.25 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 3hri h VAL 73 Cb -0.08 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3hri h VAL 73 CO -0.06 0.44 0.01 -0.26 0.02 0.00 0.00 177.57 177.73 3hri h PHE 74 N 0.83 0.22 0.06 1.57 0.04 -0.96 -0.89 116.94 117.81 3hri h PHE 74 Ca 0.12 -0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.88 3hri h PHE 74 Cb 0.69 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.75 3hri h PHE 74 CO 0.04 0.42 -0.20 0.45 -0.60 0.00 0.00 178.31 178.43 3hri h HIS 75 N -0.05 -0.52 -0.93 -0.55 3.86 0.16 -0.44 115.15 116.68 3hri h HIS 75 Ca 0.03 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.28 3hri h HIS 75 Cb 0.33 0.22 -0.05 0.00 1.06 0.00 0.00 27.41 28.98 3hri h HIS 75 CO 0.03 -0.29 0.61 1.03 0.86 0.00 0.00 177.93 180.17 3hri h SER 76 N -0.35 1.05 -0.36 2.45 0.87 -0.26 -0.48 113.55 116.46 3hri h SER 76 Ca 0.04 -0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.47 3hri h SER 76 Cb 0.40 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 3hri h SER 76 CO -0.14 0.74 -0.19 0.74 -0.53 0.00 0.00 176.83 177.45 3hri h THR 77 N 1.23 1.27 -0.19 2.23 2.02 -0.95 -0.69 112.91 117.82 3hri h THR 77 Ca 0.35 -1.31 -0.08 0.00 0.77 0.00 0.00 66.41 66.14 3hri h THR 77 Cb -0.09 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 3hri h THR 77 CO -0.09 0.44 -0.25 0.00 0.37 0.00 0.00 175.52 176.00 3hri h ALA 78 N 1.04 1.23 0.05 6.16 0.00 -0.38 -0.81 119.26 126.55 3hri h ALA 78 Ca 0.11 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 3hri h ALA 78 Cb 0.71 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hri h ALA 78 CO 0.05 0.51 -0.58 -0.09 0.00 0.00 0.00 179.25 179.14 3hri h ARG 79 N 0.31 0.31 -0.99 0.00 2.43 -0.95 0.42 114.38 115.92 3hri h ARG 79 Ca 0.05 -0.40 0.08 0.00 -0.81 0.00 0.00 59.98 58.90 3hri h ARG 79 Cb 0.61 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 30.21 3hri h ARG 79 CO 0.04 1.12 0.63 0.87 -1.51 0.00 0.00 179.97 181.12 3hri h LYS 80 N -0.32 1.07 -0.02 0.20 1.57 -1.03 -0.21 116.57 117.83 3hri h LYS 80 Ca -0.09 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3hri h LYS 80 Cb 1.36 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3hri h LYS 80 CO 0.11 0.71 0.00 1.19 -0.57 0.00 0.00 179.45 180.89 3hri n PHE 81 N -4.55 0.03 -2.50 -1.35 0.99 -0.32 -4.93 117.46 104.83 3hri n PHE 81 Ca 0.16 -0.01 -0.12 0.00 -0.00 0.00 0.00 57.45 57.47 3hri n PHE 81 Cb 0.23 0.00 0.01 0.00 -1.00 0.00 0.00 39.48 38.72 3hri n PHE 81 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hri n GLY 82 N 0.98 -0.05 3.86 1.37 0.00 -0.09 -5.04 105.19 106.22 3hri n GLY 82 Ca 0.19 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 3hri n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hri s PHE 83 N -2.77 3.55 -0.11 1.61 0.40 0.14 -4.87 117.98 115.94 3hri s PHE 83 Ca 0.10 0.94 -0.09 0.00 -0.60 0.00 0.00 56.93 57.28 3hri s PHE 83 Cb -0.04 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.16 3hri s PHE 83 CO 0.12 0.41 0.20 -1.21 0.70 0.00 0.00 175.22 175.44 3hri s GLU 84 N -2.19 3.68 0.33 0.44 2.02 0.17 -4.55 118.70 118.61 3hri s GLU 84 Ca 0.39 -0.02 -0.26 0.00 0.02 0.00 0.00 54.97 55.10 3hri s GLU 84 Cb -0.14 -3.24 -0.10 0.00 0.10 0.00 0.00 34.13 30.75 3hri s GLU 84 CO 0.20 0.66 0.94 -2.00 0.02 0.00 0.00 175.26 175.08 3hri s GLU 85 N -0.75 4.55 0.27 1.61 2.12 -1.26 -0.62 118.70 124.62 3hri s GLU 85 Ca 0.16 1.30 0.02 0.00 0.36 0.00 0.00 54.97 56.81 3hri s GLU 85 Cb -0.13 -2.75 -0.04 0.00 0.26 0.00 0.00 34.13 31.47 3hri s GLU 85 CO 0.05 0.26 0.15 1.52 -0.54 0.00 0.00 175.26 176.69 3hri s TYR 86 N -1.66 1.50 0.09 5.30 -0.85 -0.44 -4.88 117.35 116.41 3hri s TYR 86 Ca 0.51 -1.35 -0.26 0.00 -0.52 0.00 0.00 57.07 55.45 3hri s TYR 86 Cb -0.18 -0.79 0.08 0.00 0.38 0.00 0.00 41.96 41.45 3hri s TYR 86 CO 0.23 -0.53 0.67 0.34 -1.52 0.00 0.00 175.55 174.74 3hri s ASP 87 N -3.32 -0.55 0.17 -0.18 2.15 -1.26 -4.57 116.67 109.11 3hri s ASP 87 Ca 0.37 0.14 -0.14 0.00 0.43 0.00 0.00 52.55 53.36 3hri s ASP 87 Cb 0.06 0.55 0.01 0.00 -0.30 0.00 0.00 42.92 43.24 3hri s ASP 87 CO 0.16 -0.83 0.40 -0.94 -0.17 0.00 0.00 175.17 173.79 3hri s SER 88 N -2.37 -0.12 0.54 -0.34 1.04 -1.26 -5.15 113.70 106.04 3hri s SER 88 Ca -0.01 -0.62 -0.22 0.00 0.48 0.00 0.00 55.95 55.58 3hri s SER 88 Cb -0.01 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.56 3hri s SER 88 CO -0.08 -0.95 1.35 -2.84 0.98 0.00 0.00 173.24 171.70 3hri s PRO 89 N -3.90 3.19 0.38 4.02 0.02 -1.26 -4.90 135.00 132.55 3hri s PRO 89 Ca 0.11 2.22 0.08 0.00 0.02 0.00 0.00 61.00 63.43 3hri s PRO 89 Cb 0.01 -2.28 0.74 0.00 0.02 0.00 0.00 34.50 33.00 3hri s PRO 89 CO -0.03 -1.15 1.92 -0.39 -0.33 0.00 0.00 177.00 177.02 3hri h VAL 90 N 1.49 1.17 -3.06 3.83 -1.51 -1.96 -3.40 116.25 112.81 3hri h VAL 90 Ca -0.51 -0.72 -0.62 0.00 -1.23 0.00 0.00 66.70 63.63 3hri h VAL 90 Cb 1.30 1.07 -0.13 0.00 -2.13 0.00 0.00 31.29 31.40 3hri h VAL 90 CO 0.57 0.23 0.55 -0.22 -1.23 0.00 0.00 177.57 177.47 3hri s LEU 91 N -8.92 4.19 0.23 4.19 2.96 -1.26 -2.10 118.68 117.95 3hri s LEU 91 Ca -0.06 -0.53 0.12 0.00 -0.22 0.00 0.00 54.13 53.44 3hri s LEU 91 Cb 0.16 -2.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.09 3hri s LEU 91 CO 0.74 -1.27 -0.22 -1.61 -1.32 0.00 0.00 176.35 172.67 3hri s GLU 92 N 3.95 1.59 0.28 1.98 0.41 -1.13 -4.93 118.70 120.85 3hri s GLU 92 Ca 0.28 -1.61 -0.30 0.00 -0.41 0.00 0.00 54.97 52.93 3hri s GLU 92 Cb -0.14 -1.82 -0.11 0.00 -1.78 0.00 0.00 34.13 30.28 3hri s GLU 92 CO 0.17 0.37 1.55 0.45 -0.49 0.00 0.00 175.26 177.31 3hri s SER 93 N -2.99 6.46 0.21 -0.19 0.15 -1.26 -1.44 113.70 114.64 3hri s SER 93 Ca 0.24 2.86 -0.11 0.00 0.70 0.00 0.00 55.95 59.63 3hri s SER 93 Cb -0.07 -2.63 0.28 0.00 -1.71 0.00 0.00 66.02 61.89 3hri s SER 93 CO 0.12 -0.85 1.66 -0.08 1.20 0.00 0.00 173.24 175.29 3hri h GLU 94 N 4.95 0.10 -0.87 5.44 4.81 -1.72 -0.93 114.58 126.35 3hri h GLU 94 Ca -0.47 -0.01 0.16 0.00 -0.13 0.00 0.00 59.36 58.92 3hri h GLU 94 Cb 1.22 -0.02 -0.16 0.00 0.63 0.00 0.00 28.75 30.42 3hri h GLU 94 CO 0.79 0.06 -0.25 0.39 -0.73 0.00 0.00 179.01 179.27 3hri n GLU 95 N -5.29 -0.11 -0.31 1.92 1.02 -1.26 -1.64 120.64 114.96 3hri n GLU 95 Ca 0.08 1.36 0.04 0.00 -0.02 0.00 0.00 57.16 58.63 3hri n GLU 95 Cb 0.34 -2.03 0.12 0.00 -0.02 0.00 0.00 31.44 29.85 3hri n GLU 95 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3hri h LEU 96 N 0.00 -0.81 0.07 -4.62 5.85 -1.53 -0.77 115.31 113.50 3hri h LEU 96 Ca 0.39 0.26 -0.31 0.00 0.84 0.00 0.00 57.88 59.06 3hri h LEU 96 Cb 0.61 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 3hri h LEU 96 CO -0.89 -0.29 -1.68 1.88 -0.34 0.00 0.00 178.44 177.11 3hri h TYR 97 N 0.00 0.28 -0.07 1.25 0.05 -1.47 -3.30 116.97 113.71 3hri h TYR 97 Ca 0.43 -0.20 -0.05 0.00 0.05 0.00 0.00 58.73 58.95 3hri h TYR 97 Cb 0.66 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.38 3hri h TYR 97 CO -0.68 1.33 -0.21 0.97 -1.05 0.00 0.00 178.16 178.52 3hri h ILE 98 N 0.04 1.18 0.00 -2.88 2.10 -1.12 -0.98 117.51 115.86 3hri h ILE 98 Ca -0.29 -0.85 0.00 0.00 1.08 0.00 0.00 64.86 64.80 3hri h ILE 98 Cb 2.01 1.37 0.00 0.00 -1.09 0.00 0.00 36.82 39.11 3hri h ILE 98 CO 0.11 0.25 0.00 -1.14 -1.08 0.00 0.00 178.15 176.29 3hri n ARG 99 N -4.25 0.14 -0.09 2.19 0.63 -0.35 -0.44 116.66 114.49 3hri n ARG 99 Ca -0.02 0.10 -0.21 0.00 -0.92 0.00 0.00 57.85 56.80 3hri n ARG 99 Cb 0.30 -1.50 -0.12 0.00 0.45 0.00 0.00 32.46 31.58 3hri n ARG 99 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3hri n LYS 100 N -1.41 0.66 0.00 -0.14 5.02 -0.43 -4.81 118.16 117.06 3hri n LYS 100 Ca 0.08 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 3hri n LYS 100 Cb 0.22 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3hri n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hri n ALA 101 N -3.35 1.72 0.00 7.82 0.00 -0.84 -5.13 120.51 120.72 3hri n ALA 101 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3hri n ALA 101 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.42 3hri n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hri n GLY 102 N 1.23 0.61 0.24 0.00 0.00 0.41 -4.69 105.19 103.00 3hri n GLY 102 Ca 0.00 -2.08 0.07 0.00 0.00 0.00 0.00 46.02 44.00 3hri n GLY 102 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hri h GLU 103 N 0.00 0.01 -1.16 1.61 5.08 -1.95 -3.14 114.58 115.03 3hri h GLU 103 Ca 0.00 -0.00 0.33 0.00 -1.00 0.00 0.00 59.36 58.69 3hri h GLU 103 Cb 0.00 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.15 3hri h GLU 103 CO 0.00 0.09 0.77 1.05 -1.00 0.00 0.00 179.01 179.91 3hri h GLU 104 N 0.01 0.23 0.00 2.33 4.11 -1.95 -0.16 114.58 119.14 3hri h GLU 104 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 3hri h GLU 104 Cb 0.15 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3hri h GLU 104 CO 0.01 0.15 0.00 -0.84 0.07 0.00 0.00 179.01 178.40 3hri h ILE 105 N 0.23 0.00 0.00 -1.06 3.07 -1.86 -3.01 117.51 114.89 3hri h ILE 105 Ca 0.65 -0.52 0.00 0.00 1.55 0.00 0.00 64.86 66.54 3hri h ILE 105 Cb 1.97 1.45 0.00 0.00 -0.27 0.00 0.00 36.82 39.96 3hri h ILE 105 CO -0.27 0.00 0.00 0.35 -1.05 0.00 0.00 178.15 177.18 3hri n THR 106 N -2.66 0.00 0.47 0.16 -2.24 -0.07 -1.22 114.28 108.72 3hri n THR 106 Ca 0.03 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.86 3hri n THR 106 Cb 0.36 -0.80 -0.04 0.00 -2.10 0.00 0.00 70.33 67.74 3hri n THR 106 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hri n GLU 107 N -0.99 3.23 -0.48 -0.78 1.02 -1.13 -4.60 120.64 116.90 3hri n GLU 107 Ca 0.09 -0.18 0.05 0.00 -0.02 0.00 0.00 57.16 57.10 3hri n GLU 107 Cb 0.04 -1.01 0.22 0.00 -0.02 0.00 0.00 31.44 30.67 3hri n GLU 107 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hri n GLN 108 N -0.95 2.25 -4.01 3.49 6.02 -0.35 -4.95 117.38 118.87 3hri n GLN 108 Ca 0.03 -2.91 -0.10 0.00 -0.01 0.00 0.00 57.00 54.01 3hri n GLN 108 Cb 0.17 -1.76 -0.08 0.00 1.02 0.00 0.00 30.24 29.59 3hri n GLN 108 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hri s MET 109 N -2.98 1.13 -0.39 -1.09 0.23 -1.17 -2.52 119.30 112.51 3hri s MET 109 Ca 0.41 -1.25 -0.27 0.00 -1.03 0.00 0.00 55.69 53.55 3hri s MET 109 Cb 0.35 0.35 0.02 0.00 -1.53 0.00 0.00 34.83 34.02 3hri s MET 109 CO 0.05 -0.40 0.97 -0.06 -2.03 0.00 0.00 175.02 173.55 3hri s PHE 110 N -3.99 3.04 0.20 3.16 0.40 -1.26 -4.77 117.98 114.74 3hri s PHE 110 Ca 0.20 0.78 0.07 0.00 -0.60 0.00 0.00 56.93 57.37 3hri s PHE 110 Cb 0.04 -3.79 -0.04 0.00 0.51 0.00 0.00 43.02 39.74 3hri s PHE 110 CO 0.01 -0.91 0.09 -0.80 0.70 0.00 0.00 175.22 174.31 3hri s ASN 111 N 1.97 5.15 0.16 1.36 0.01 -1.26 -2.22 114.94 120.11 3hri s ASN 111 Ca 0.40 -0.30 -0.23 0.00 -0.71 0.00 0.00 52.86 52.01 3hri s ASN 111 Cb -0.11 -1.22 0.07 0.00 0.41 0.00 0.00 41.25 40.40 3hri s ASN 111 CO 0.21 0.05 1.03 0.72 -1.51 0.00 0.00 177.10 177.59 3hri s PHE 112 N -1.88 0.00 0.27 2.20 -0.12 -0.28 -4.98 117.98 113.19 3hri s PHE 112 Ca 0.30 -0.36 0.11 0.00 -0.05 0.00 0.00 56.93 56.94 3hri s PHE 112 Cb -0.09 0.67 -0.05 0.00 -0.63 0.00 0.00 43.02 42.93 3hri s PHE 112 CO 0.22 -0.86 -0.15 0.42 -0.05 0.00 0.00 175.22 174.79 3hri s ILE 113 N -2.53 2.72 0.00 -4.49 1.09 -1.26 -1.49 121.20 115.24 3hri s ILE 113 Ca 0.18 -2.26 0.00 0.00 -1.10 0.00 0.00 60.65 57.47 3hri s ILE 113 Cb -0.02 -2.43 0.00 0.00 -1.06 0.00 0.00 42.46 38.95 3hri s ILE 113 CO 0.04 -0.38 0.00 0.35 -0.10 0.00 0.00 174.94 174.85 3hri n THR 114 N -0.64 0.00 -1.41 2.92 -2.24 -1.26 -5.00 114.28 106.64 3hri n THR 114 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3hri n THR 114 Cb 0.60 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 3hri n THR 114 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3hri n HIS 118 N -2.07 -1.77 -3.54 4.78 -0.00 -1.26 -5.22 115.22 106.14 3hri n HIS 118 Ca 0.00 1.06 -0.37 0.00 -0.00 0.00 0.00 57.72 58.40 3hri n HIS 118 Cb 0.32 -2.66 -0.06 0.00 -0.00 0.00 0.00 29.99 27.59 3hri n HIS 118 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 3hri s ARG 119 N -1.62 4.01 0.10 1.57 0.52 -1.26 -5.02 118.95 117.25 3hri s ARG 119 Ca 0.00 0.24 -0.02 0.00 -0.52 0.00 0.00 55.73 55.44 3hri s ARG 119 Cb 0.00 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 32.12 3hri s ARG 119 CO 0.00 0.49 0.03 0.14 0.02 0.00 0.00 175.30 175.99 3hri s VAL 120 N -0.37 0.15 -0.10 3.52 -7.23 -0.56 -2.12 120.40 113.70 3hri s VAL 120 Ca 0.21 -1.83 -0.22 0.00 -1.81 0.00 0.00 61.98 58.33 3hri s VAL 120 Cb -0.15 -1.79 0.05 0.00 0.56 0.00 0.00 36.38 35.05 3hri s VAL 120 CO 0.09 -0.69 0.53 0.00 -0.31 0.00 0.00 175.10 174.72 3hri s ALA 121 N -3.99 -1.36 -0.09 1.32 0.00 -0.52 -1.12 121.76 116.00 3hri s ALA 121 Ca 0.16 1.15 -0.29 0.00 0.00 0.00 0.00 51.96 52.98 3hri s ALA 121 Cb 0.07 -0.33 -0.06 0.00 0.00 0.00 0.00 23.12 22.81 3hri s ALA 121 CO -0.04 -0.30 1.88 -0.51 0.00 0.00 0.00 175.76 176.80 3hri s LEU 122 N -0.66 4.08 0.35 0.00 1.43 -0.94 -2.83 118.68 120.11 3hri s LEU 122 Ca -0.07 2.18 -0.26 0.00 -1.03 0.00 0.00 54.13 54.95 3hri s LEU 122 Cb -0.03 -3.53 -0.12 0.00 0.03 0.00 0.00 46.19 42.54 3hri s LEU 122 CO 0.05 -1.27 1.04 -2.11 0.23 0.00 0.00 176.35 174.29 3hri n ARG 123 N 7.75 1.46 0.04 1.70 1.85 -0.89 -4.46 116.66 124.11 3hri n ARG 123 Ca 0.21 0.51 0.11 0.00 -1.00 0.00 0.00 57.85 57.69 3hri n ARG 123 Cb 0.43 -1.99 -0.03 0.00 -1.05 0.00 0.00 32.46 29.83 3hri n ARG 123 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 3hri n PRO 124 N 0.47 0.45 -3.84 2.89 -0.04 -1.21 0.47 135.00 134.21 3hri n PRO 124 Ca 0.09 -0.01 -0.09 0.00 -0.04 0.00 0.00 63.50 63.45 3hri n PRO 124 Cb 0.36 -1.64 -0.07 0.00 -0.04 0.00 0.00 33.50 32.11 3hri n PRO 124 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3hri s GLU 125 N -3.31 0.91 -0.10 0.54 -1.05 -1.26 -4.52 118.70 109.89 3hri s GLU 125 Ca 0.00 -0.95 0.09 0.00 -0.15 0.00 0.00 54.97 53.97 3hri s GLU 125 Cb 0.13 0.36 -0.24 0.00 -0.44 0.00 0.00 34.13 33.95 3hri s GLU 125 CO 0.82 -0.30 0.42 -0.12 0.95 0.00 0.00 175.26 177.03 3hri n MET 126 N -0.10 0.67 -0.17 -4.83 0.00 -1.26 -4.51 117.12 106.92 3hri n MET 126 Ca -0.14 0.22 -0.03 0.00 -0.00 0.00 0.00 57.70 57.74 3hri n MET 126 Cb 0.63 -1.70 0.03 0.00 0.00 0.00 0.00 33.22 32.18 3hri n MET 126 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 3hri h THR 127 N 0.01 0.35 -0.72 1.12 2.02 -2.00 -0.17 112.91 113.52 3hri h THR 127 Ca -0.39 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.00 3hri h THR 127 Cb 2.06 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 3hri h THR 127 CO 0.06 0.00 0.52 -0.65 0.37 0.00 0.00 175.52 175.82 3hri h PRO 128 N -0.08 0.03 -0.10 6.66 0.11 -1.96 0.14 132.00 136.81 3hri h PRO 128 Ca 0.25 -0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.14 3hri h PRO 128 Cb 0.47 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.58 3hri h PRO 128 CO -0.59 0.02 -0.81 0.77 -0.21 0.00 0.00 178.00 177.18 3hri h SER 129 N 0.04 0.75 -0.62 -2.05 0.02 -1.31 -2.81 113.55 107.57 3hri h SER 129 Ca 0.35 -0.52 0.11 0.00 -0.84 0.00 0.00 61.79 60.89 3hri h SER 129 Cb 1.33 -0.22 -0.08 0.00 0.14 0.00 0.00 62.40 63.56 3hri h SER 129 CO -0.02 1.30 0.16 0.25 -1.14 0.00 0.00 176.83 177.38 3hri h LEU 130 N 0.41 0.07 0.25 5.07 5.85 -0.50 -0.73 115.31 125.73 3hri h LEU 130 Ca -0.06 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3hri h LEU 130 Cb 1.42 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.56 3hri h LEU 130 CO 0.15 0.04 -0.23 0.00 -0.34 0.00 0.00 178.44 178.06 3hri h ALA 131 N 1.48 -0.49 -0.54 1.25 0.00 -1.34 -1.60 119.26 118.02 3hri h ALA 131 Ca 0.33 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.25 3hri h ALA 131 Cb 0.47 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 3hri h ALA 131 CO -0.39 -0.80 0.14 -0.09 0.00 0.00 0.00 179.25 178.11 3hri h ARG 132 N -0.50 0.28 -0.26 0.00 2.43 -1.17 0.71 114.38 115.87 3hri h ARG 132 Ca -0.01 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 3hri h ARG 132 Cb 0.46 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3hri h ARG 132 CO -0.04 0.18 -0.22 1.96 -1.51 0.00 0.00 179.97 180.34 3hri h GLN 133 N 0.28 0.47 -0.08 0.20 4.20 -0.97 0.67 115.11 119.89 3hri h GLN 133 Ca 0.27 -0.17 -0.21 0.00 0.06 0.00 0.00 58.65 58.61 3hri h GLN 133 Cb 0.36 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.11 3hri h GLN 133 CO -0.33 0.67 -0.80 -0.07 -0.67 0.00 0.00 178.83 177.63 3hri h LEU 134 N 0.42 0.65 -0.29 1.46 3.38 -0.62 -2.58 115.31 117.74 3hri h LEU 134 Ca 0.07 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 3hri h LEU 134 Cb 0.62 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3hri h LEU 134 CO 0.04 1.22 -0.11 -0.07 0.09 0.00 0.00 178.44 179.62 3hri h LEU 135 N 0.36 0.59 -0.60 1.67 3.38 -0.75 -2.49 115.31 117.48 3hri h LEU 135 Ca -0.05 -0.39 0.12 0.00 0.09 0.00 0.00 57.88 57.65 3hri h LEU 135 Cb 1.40 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.90 3hri h LEU 135 CO 0.15 0.85 0.07 0.00 0.09 0.00 0.00 178.44 179.59 3hri h ALA 136 N 0.76 0.66 -0.27 1.53 0.00 -0.84 0.12 119.26 121.22 3hri h ALA 136 Ca 0.07 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3hri h ALA 136 Cb 0.61 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3hri h ALA 136 CO 0.04 -0.35 -0.15 0.87 0.00 0.00 0.00 179.25 179.65 3hri h LYS 137 N 0.19 0.47 0.00 0.00 1.57 -1.45 -3.48 116.57 113.86 3hri h LYS 137 Ca 0.32 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3hri h LYS 137 Cb 0.49 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3hri h LYS 137 CO -0.46 0.61 0.00 0.41 -0.57 0.00 0.00 179.45 179.45 3hri n GLY 138 N -0.60 1.22 0.00 3.86 0.00 0.03 -2.99 105.19 106.69 3hri n GLY 138 Ca 0.00 -0.69 0.15 0.00 0.00 0.00 0.00 46.02 45.49 3hri n GLY 138 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hri n ARG 139 N 12.63 0.56 0.04 1.61 -4.01 -1.26 -3.28 116.66 122.95 3hri n ARG 139 Ca 0.00 0.00 0.13 0.00 -1.04 0.00 0.00 57.85 56.95 3hri n ARG 139 Cb 0.00 -1.50 0.49 0.00 -3.04 0.00 0.00 32.46 28.41 3hri n ARG 139 CO 0.00 0.00 0.00 -1.13 -3.04 0.00 0.00 177.63 173.46 3hri n SER 140 N -1.22 0.39 -4.66 2.89 3.41 -1.16 -4.82 113.62 108.45 3hri n SER 140 Ca 0.16 0.46 -0.43 0.00 -0.26 0.00 0.00 58.87 58.81 3hri n SER 140 Cb 0.21 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.60 3hri n SER 140 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3hri s LEU 141 N -3.67 4.23 -0.20 1.04 1.98 -1.21 -4.96 118.68 115.89 3hri s LEU 141 Ca 0.12 1.86 -0.29 0.00 -2.89 0.00 0.00 54.13 52.93 3hri s LEU 141 Cb 0.16 -3.54 -0.00 0.00 0.66 0.00 0.00 46.19 43.47 3hri s LEU 141 CO 0.58 -0.80 1.12 -1.48 -1.89 0.00 0.00 176.35 173.88 3hri s LEU 142 N 3.60 4.14 -0.03 -0.68 2.34 -1.26 -5.02 118.68 121.77 3hri s LEU 142 Ca 0.60 1.51 -0.02 0.00 0.06 0.00 0.00 54.13 56.28 3hri s LEU 142 Cb -0.25 -3.54 -0.04 0.00 -0.56 0.00 0.00 46.19 41.80 3hri s LEU 142 CO 0.19 -0.69 0.12 -0.76 -1.06 0.00 0.00 176.35 174.15 3hri s LEU 143 N 3.24 4.13 0.28 1.48 1.43 -1.26 -3.48 118.68 124.50 3hri s LEU 143 Ca 0.48 0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 53.56 3hri s LEU 143 Cb -0.18 -2.35 -0.09 0.00 0.03 0.00 0.00 46.19 43.60 3hri s LEU 143 CO 0.10 0.29 1.06 -2.16 0.23 0.00 0.00 176.35 175.87 3hri s PRO 144 N -1.66 4.67 -0.11 1.29 0.04 -1.26 -5.08 135.00 132.89 3hri s PRO 144 Ca 0.23 1.71 -0.04 0.00 0.04 0.00 0.00 61.00 62.94 3hri s PRO 144 Cb -0.12 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 3hri s PRO 144 CO 0.14 0.27 0.04 0.00 0.04 0.00 0.00 177.00 177.49 3hri s ALA 145 N -1.20 3.44 -0.40 8.56 0.00 0.97 -4.95 121.76 128.18 3hri s ALA 145 Ca 0.44 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.67 3hri s ALA 145 Cb -0.30 -1.65 0.12 0.00 0.00 0.00 0.00 23.12 21.28 3hri s ALA 145 CO 0.38 0.54 0.16 0.15 0.00 0.00 0.00 175.76 176.98 3hri s LYS 146 N -0.73 1.33 -0.10 0.00 1.02 -1.26 0.50 119.74 120.48 3hri s LYS 146 Ca 0.12 -1.86 -0.02 0.00 0.02 0.00 0.00 55.97 54.24 3hri s LYS 146 Cb -0.12 -2.67 -0.03 0.00 -0.52 0.00 0.00 37.83 34.49 3hri s LYS 146 CO 0.02 -1.05 -0.03 -1.58 -0.92 0.00 0.00 175.35 171.79 3hri s TRP 147 N 0.69 3.05 0.08 3.18 0.52 0.12 0.47 118.94 127.04 3hri s TRP 147 Ca 0.14 -0.02 0.03 0.00 0.02 0.00 0.00 56.10 56.27 3hri s TRP 147 Cb -0.22 -1.82 -0.03 0.00 -1.15 0.00 0.00 33.47 30.25 3hri s TRP 147 CO -0.08 0.26 -0.09 1.52 0.02 0.00 0.00 176.95 178.57 3hri s TYR 148 N -0.43 0.92 0.12 -1.98 1.13 0.21 -0.15 117.35 117.17 3hri s TYR 148 Ca 0.07 -0.65 -0.17 0.00 -1.41 0.00 0.00 57.07 54.91 3hri s TYR 148 Cb -0.12 -0.52 0.04 0.00 -1.10 0.00 0.00 41.96 40.26 3hri s TYR 148 CO 0.02 -0.05 0.43 -1.54 -2.51 0.00 0.00 175.55 171.90 3hri s SER 149 N -2.26 -0.29 -0.57 -0.18 1.04 -0.42 -1.32 113.70 109.69 3hri s SER 149 Ca 0.02 -0.24 0.06 0.00 0.48 0.00 0.00 55.95 56.27 3hri s SER 149 Cb -0.04 0.49 0.30 0.00 0.10 0.00 0.00 66.02 66.87 3hri s SER 149 CO -0.01 -0.85 0.82 -0.38 0.98 0.00 0.00 173.24 173.80 3hri n ILE 150 N -0.18 2.30 -1.88 -1.02 5.41 -1.26 0.82 119.36 123.56 3hri n ILE 150 Ca -0.16 -5.26 -0.32 0.00 1.00 0.00 0.00 62.75 58.01 3hri n ILE 150 Cb 0.64 -1.63 0.02 0.00 -0.71 0.00 0.00 39.64 37.95 3hri n ILE 150 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3hri s PRO 151 N -2.85 3.35 0.00 0.38 0.04 -1.17 -4.67 135.00 130.08 3hri s PRO 151 Ca 0.44 0.96 -0.19 0.00 0.04 0.00 0.00 61.00 62.25 3hri s PRO 151 Cb 0.23 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.66 3hri s PRO 151 CO -0.08 -0.77 0.53 -1.14 0.04 0.00 0.00 177.00 175.57 3hri s GLN 152 N -4.72 4.20 0.08 4.56 0.74 -1.26 -2.61 119.66 120.65 3hri s GLN 152 Ca 0.59 0.62 0.07 0.00 0.05 0.00 0.00 55.36 56.69 3hri s GLN 152 Cb -0.13 -3.30 -0.03 0.00 1.10 0.00 0.00 33.01 30.65 3hri s GLN 152 CO 0.47 0.49 -0.18 0.00 -0.55 0.00 0.00 175.29 175.52 3hri s TRP 154 N -1.13 1.37 -0.09 0.00 0.52 0.18 -2.40 118.94 117.38 3hri s TRP 154 Ca 0.03 -0.58 -0.01 0.00 0.02 0.00 0.00 56.10 55.56 3hri s TRP 154 Cb -0.10 -1.09 0.03 0.00 -1.15 0.00 0.00 33.47 31.16 3hri s TRP 154 CO 0.03 -0.38 -0.03 0.50 0.02 0.00 0.00 176.95 177.09 3hri s ARG 155 N 1.22 0.96 -0.93 4.98 3.52 -0.38 -3.28 118.95 125.03 3hri s ARG 155 Ca -0.05 -0.05 -0.24 0.00 -0.13 0.00 0.00 55.73 55.26 3hri s ARG 155 Cb -0.14 -1.25 0.04 0.00 -1.56 0.00 0.00 34.95 32.04 3hri s ARG 155 CO -0.02 -0.30 1.41 -0.47 -0.81 0.00 0.00 175.30 175.10 3hri s TYR 156 N 1.87 2.43 0.02 5.12 5.04 -1.05 -3.96 117.35 126.83 3hri s TYR 156 Ca 0.05 -0.56 0.00 0.00 -2.44 0.00 0.00 57.07 54.12 3hri s TYR 156 Cb -0.13 -4.66 -0.00 0.00 0.35 0.00 0.00 41.96 37.52 3hri s TYR 156 CO -0.06 -1.98 0.01 0.39 -1.34 0.00 0.00 175.55 172.56 3hri n GLU 157 N 9.04 0.90 -2.78 4.97 -0.58 -1.26 -4.52 120.64 126.41 3hri n GLU 157 Ca 0.24 -0.21 -0.30 0.00 -0.42 0.00 0.00 57.16 56.46 3hri n GLU 157 Cb 0.50 0.12 -0.03 0.00 -0.57 0.00 0.00 31.44 31.46 3hri n GLU 157 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hri s ALA 158 N -2.07 3.32 -0.25 0.62 0.00 -1.26 -4.89 121.76 117.23 3hri s ALA 158 Ca 0.01 -0.17 -0.14 0.00 0.00 0.00 0.00 51.96 51.66 3hri s ALA 158 Cb 0.00 -2.75 -0.10 0.00 0.00 0.00 0.00 23.12 20.27 3hri s ALA 158 CO 0.01 -0.06 -0.34 -0.89 0.00 0.00 0.00 175.76 174.48 3hri n ILE 159 N -1.39 1.46 1.60 0.00 -0.00 -1.26 -4.34 119.36 115.44 3hri n ILE 159 Ca 0.03 -0.28 0.12 0.00 -0.00 0.00 0.00 62.75 62.62 3hri n ILE 159 Cb 0.54 -1.94 0.69 0.00 -0.00 0.00 0.00 39.64 38.92 3hri n ILE 159 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 3hri n THR 160 N -4.23 0.00 -3.03 1.39 -2.24 -1.26 -3.69 114.28 101.22 3hri n THR 160 Ca -0.45 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.00 3hri n THR 160 Cb 0.80 -0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 3hri n THR 160 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hri n ARG 161 N -0.95 3.72 0.00 -0.78 3.00 -1.26 -5.01 116.66 115.37 3hri n ARG 161 Ca 0.17 -4.72 0.00 0.00 -0.01 0.00 0.00 57.85 53.30 3hri n ARG 161 Cb 0.08 -2.34 0.00 0.00 0.00 0.00 0.00 32.46 30.20 3hri n ARG 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hri n GLY 162 N 0.40 1.14 3.55 -0.13 0.00 -1.24 -4.86 105.19 104.04 3hri n GLY 162 Ca 0.33 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 3hri n GLY 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hri s ARG 163 N 0.00 -1.35 -0.22 1.61 0.52 -1.26 -4.98 118.95 113.26 3hri s ARG 163 Ca 0.00 0.06 0.22 0.00 -0.52 0.00 0.00 55.73 55.49 3hri s ARG 163 Cb 0.00 -1.57 0.49 0.00 0.52 0.00 0.00 34.95 34.38 3hri s ARG 163 CO 0.00 -3.82 1.15 2.89 0.02 0.00 0.00 175.30 175.54 3hri n ARG 164 N -4.86 1.43 0.00 3.54 1.85 -1.26 -4.28 116.66 113.08 3hri n ARG 164 Ca 0.12 -3.10 0.00 0.00 -1.00 0.00 0.00 57.85 53.86 3hri n ARG 164 Cb 0.59 -1.21 0.00 0.00 -1.05 0.00 0.00 32.46 30.79 3hri n ARG 164 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3hri n ARG 165 N -0.50 0.00 -3.97 2.89 1.74 -1.25 -4.37 116.66 111.20 3hri n ARG 165 Ca 0.05 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.94 3hri n ARG 165 Cb 0.85 -1.88 -0.16 0.00 -1.02 0.00 0.00 32.46 30.26 3hri n ARG 165 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3hri s GLU 166 N 0.00 0.48 -0.15 5.56 -6.30 -1.23 -1.25 118.70 115.81 3hri s GLU 166 Ca 0.00 0.04 -0.14 0.00 -2.50 0.00 0.00 54.97 52.37 3hri s GLU 166 Cb 0.00 -0.64 0.04 0.00 0.00 0.00 0.00 34.13 33.53 3hri s GLU 166 CO 0.00 -0.14 0.40 -3.38 0.02 0.00 0.00 175.26 172.15 3hri s HIS 167 N 1.13 -0.43 0.50 5.30 -3.43 -1.01 -4.92 115.29 112.43 3hri s HIS 167 Ca -0.08 1.05 -0.07 0.00 -0.80 0.00 0.00 55.06 55.15 3hri s HIS 167 Cb -0.14 0.15 -0.04 0.00 -1.43 0.00 0.00 32.58 31.12 3hri s HIS 167 CO -0.02 -0.21 0.84 0.71 -2.00 0.00 0.00 174.74 174.06 3hri s TYR 168 N 0.18 3.56 -0.27 0.38 2.02 -1.26 -1.49 117.35 120.47 3hri s TYR 168 Ca -0.00 0.95 -0.20 0.00 -0.37 0.00 0.00 57.07 57.45 3hri s TYR 168 Cb -0.03 -2.41 0.07 0.00 -0.40 0.00 0.00 41.96 39.19 3hri s TYR 168 CO 0.01 -0.34 0.69 -1.14 -1.57 0.00 0.00 175.55 173.19 3hri s GLN 169 N -4.71 0.75 -0.49 -0.62 0.74 -1.07 -0.76 119.66 113.50 3hri s GLN 169 Ca 0.50 1.08 -0.22 0.00 0.05 0.00 0.00 55.36 56.76 3hri s GLN 169 Cb -0.10 0.27 0.04 0.00 1.10 0.00 0.00 33.01 34.31 3hri s GLN 169 CO 0.45 -0.12 0.77 -0.46 -0.55 0.00 0.00 175.29 175.38 3hri s TRP 170 N 0.96 2.96 0.22 1.67 -0.00 0.92 -3.06 118.94 122.61 3hri s TRP 170 Ca -0.05 -0.07 -0.07 0.00 -0.00 0.00 0.00 56.10 55.91 3hri s TRP 170 Cb -0.05 -3.69 -0.06 0.00 -0.00 0.00 0.00 33.47 29.67 3hri s TRP 170 CO -0.09 -1.07 0.50 -0.80 -0.00 0.00 0.00 176.95 175.49 3hri s ASN 171 N 2.41 6.55 -0.30 5.86 0.02 0.24 -1.08 114.94 128.65 3hri s ASN 171 Ca 0.26 0.79 -0.02 0.00 -1.02 0.00 0.00 52.86 52.87 3hri s ASN 171 Cb -0.14 -2.17 0.19 0.00 0.02 0.00 0.00 41.25 39.14 3hri s ASN 171 CO 0.19 -0.06 0.61 -0.32 0.02 0.00 0.00 177.10 177.53 3hri s MET 172 N -2.91 0.57 0.01 -0.60 1.75 -0.95 -1.29 119.30 115.87 3hri s MET 172 Ca 0.45 1.04 0.04 0.00 -1.25 0.00 0.00 55.69 55.96 3hri s MET 172 Cb -0.11 0.58 -0.01 0.00 2.84 0.00 0.00 34.83 38.12 3hri s MET 172 CO 0.24 -0.59 -0.12 -0.51 -0.65 0.00 0.00 175.02 173.39 3hri s ASP 173 N 2.86 1.35 -0.05 1.11 1.11 0.79 -0.30 116.67 123.54 3hri s ASP 173 Ca 0.19 -0.31 0.04 0.00 0.18 0.00 0.00 52.55 52.65 3hri s ASP 173 Cb -0.15 -0.11 -0.02 0.00 1.07 0.00 0.00 42.92 43.71 3hri s ASP 173 CO -0.21 0.07 -0.16 -0.63 1.18 0.00 0.00 175.17 175.41 3hri s ILE 174 N -0.55 2.86 0.03 0.77 1.01 0.94 -0.70 121.20 125.55 3hri s ILE 174 Ca 0.02 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.90 3hri s ILE 174 Cb -0.06 -2.11 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 3hri s ILE 174 CO 0.00 0.59 -0.09 0.27 0.00 0.00 0.00 174.94 175.71 3hri s ILE 175 N -0.63 0.67 0.00 2.92 -4.36 0.18 -2.09 121.20 117.89 3hri s ILE 175 Ca 0.09 -0.81 0.00 0.00 -0.26 0.00 0.00 60.65 59.67 3hri s ILE 175 Cb -0.11 -0.65 0.00 0.00 1.25 0.00 0.00 42.46 42.95 3hri s ILE 175 CO 0.01 -0.13 0.00 0.61 0.24 0.00 0.00 174.94 175.67 3hri n GLY 176 N 2.01 0.74 3.02 6.27 0.00 -1.04 -0.02 105.19 116.17 3hri n GLY 176 Ca -0.19 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 3hri n GLY 176 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hri s VAL 177 N -2.00 2.34 0.23 1.61 1.01 -1.26 -4.47 120.40 117.86 3hri s VAL 177 Ca 0.00 -2.38 -0.07 0.00 0.00 0.00 0.00 61.98 59.53 3hri s VAL 177 Cb 0.00 -2.72 0.20 0.00 0.00 0.00 0.00 36.38 33.86 3hri s VAL 177 CO 0.00 -0.61 1.86 0.11 0.00 0.00 0.00 175.10 176.46 3hri h LYS 178 N 7.58 0.96 0.00 2.72 1.79 -1.97 -3.44 116.57 124.20 3hri h LYS 178 Ca -0.05 -0.06 -0.17 0.00 -2.18 0.00 0.00 60.65 58.20 3hri h LYS 178 Cb 1.02 -0.22 0.07 0.00 -1.58 0.00 0.00 32.23 31.52 3hri h LYS 178 CO 0.53 0.63 0.15 -1.13 -1.08 0.00 0.00 179.45 178.56 3hri n SER 179 N -4.60 -0.14 -0.87 0.86 3.41 -1.26 -4.95 113.62 106.08 3hri n SER 179 Ca 0.11 -1.14 0.08 0.00 -0.26 0.00 0.00 58.87 57.66 3hri n SER 179 Cb 0.13 -0.41 0.21 0.00 -0.26 0.00 0.00 64.21 63.89 3hri n SER 179 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3hri n VAL 180 N -2.82 0.62 0.44 -3.33 3.14 -1.26 -4.08 118.33 111.03 3hri n VAL 180 Ca 0.07 -0.63 0.13 0.00 -2.96 0.00 0.00 64.34 60.95 3hri n VAL 180 Cb 0.23 0.33 0.38 0.00 -1.06 0.00 0.00 33.84 33.72 3hri n VAL 180 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 3hri h SER 181 N 2.77 0.00 0.35 6.55 4.64 -1.92 -2.96 113.55 122.98 3hri h SER 181 Ca 0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 3hri h SER 181 Cb 0.63 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.75 3hri h SER 181 CO 0.00 0.00 -1.48 0.77 -0.87 0.00 0.00 176.83 175.25 3hri h SER 182 N 0.00 0.69 -0.35 4.97 4.64 -1.89 -2.68 113.55 118.94 3hri h SER 182 Ca 0.00 -0.79 -0.00 0.00 -0.47 0.00 0.00 61.79 60.53 3hri h SER 182 Cb 0.73 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 3hri h SER 182 CO 0.00 1.63 0.21 -0.33 -0.87 0.00 0.00 176.83 177.47 3hri h GLU 183 N 0.12 0.47 -0.51 4.77 3.07 -1.82 -1.77 114.58 118.91 3hri h GLU 183 Ca -0.24 -0.04 0.10 0.00 -0.50 0.00 0.00 59.36 58.67 3hri h GLU 183 Cb 2.11 -0.10 -0.08 0.00 -0.84 0.00 0.00 28.75 29.84 3hri h GLU 183 CO 0.24 0.35 0.04 0.28 -1.40 0.00 0.00 179.01 178.52 3hri h VAL 184 N 0.45 0.64 -0.37 3.13 2.07 -1.60 -0.67 116.25 119.90 3hri h VAL 184 Ca 0.12 -0.06 -0.17 0.00 0.82 0.00 0.00 66.70 67.42 3hri h VAL 184 Cb 0.00 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3hri h VAL 184 CO -0.02 0.03 -0.41 -0.08 0.02 0.00 0.00 177.57 177.10 3hri h GLU 185 N 0.16 0.94 -0.30 1.57 4.81 -1.11 -1.56 114.58 119.08 3hri h GLU 185 Ca 0.26 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3hri h GLU 185 Cb 0.38 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3hri h GLU 185 CO -0.39 1.17 0.20 -0.07 -0.73 0.00 0.00 179.01 179.18 3hri h LEU 186 N 0.76 0.35 -0.84 1.64 3.38 -0.86 0.22 115.31 119.96 3hri h LEU 186 Ca 0.05 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3hri h LEU 186 Cb 1.01 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 3hri h LEU 186 CO 0.10 0.26 -0.03 0.58 0.09 0.00 0.00 178.44 179.44 3hri h VAL 187 N 0.41 1.25 -0.57 1.22 2.07 -1.05 -0.35 116.25 119.23 3hri h VAL 187 Ca 0.11 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.56 3hri h VAL 187 Cb -0.04 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3hri h VAL 187 CO -0.02 0.38 0.36 0.00 0.02 0.00 0.00 177.57 178.30 3hri h ALA 189 N 1.62 -1.12 -0.96 0.00 0.00 1.00 -0.12 119.26 119.68 3hri h ALA 189 Ca 0.21 -0.10 0.31 0.00 0.00 0.00 0.00 54.91 55.32 3hri h ALA 189 Cb -0.06 0.17 -0.15 0.00 0.00 0.00 0.00 17.79 17.75 3hri h ALA 189 CO -0.04 -1.09 0.42 0.00 0.00 0.00 0.00 179.25 178.54 3hri h ALA 190 N -1.79 1.72 0.32 0.00 0.00 -1.06 0.16 119.26 118.61 3hri h ALA 190 Ca -0.05 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3hri h ALA 190 Cb 0.34 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3hri h ALA 190 CO 0.08 -0.59 -0.15 0.00 0.00 0.00 0.00 179.25 178.58 3hri h THR 192 N -0.77 0.74 -0.25 0.00 2.02 0.11 0.59 112.91 115.35 3hri h THR 192 Ca -0.04 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 3hri h THR 192 Cb 0.51 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 3hri h THR 192 CO 0.07 0.14 0.12 0.00 0.37 0.00 0.00 175.52 176.22 3hri h ALA 193 N 1.63 0.33 -0.58 6.16 0.00 -0.86 0.62 119.26 126.56 3hri h ALA 193 Ca 0.56 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.28 3hri h ALA 193 Cb 0.86 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3hri h ALA 193 CO -0.34 -0.10 0.01 0.52 0.00 0.00 0.00 179.25 179.34 3hri h MET 194 N 0.27 0.99 -0.72 0.00 2.86 -0.01 -1.63 114.93 116.69 3hri h MET 194 Ca 0.09 -0.30 -0.03 0.00 -2.06 0.00 0.00 59.70 57.41 3hri h MET 194 Cb 0.14 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 3hri h MET 194 CO -0.01 0.97 0.35 0.37 1.06 0.00 0.00 176.91 179.65 3hri h GLN 195 N 0.91 1.03 -0.27 1.72 4.15 0.23 -1.45 115.11 121.44 3hri h GLN 195 Ca 0.17 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 3hri h GLN 195 Cb 0.52 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 3hri h GLN 195 CO 0.03 0.81 0.09 0.77 -1.93 0.00 0.00 178.83 178.59 3hri h SER 196 N 1.00 0.33 1.45 -0.69 0.02 -0.34 -1.97 113.55 113.35 3hri h SER 196 Ca 0.25 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3hri h SER 196 Cb 0.11 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3hri h SER 196 CO -0.03 0.32 0.00 -0.07 -1.14 0.00 0.00 176.83 175.91 3hri h LEU 197 N 0.37 0.00 0.00 5.07 3.38 -0.67 -3.47 115.31 120.00 3hri h LEU 197 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hri h LEU 197 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3hri h LEU 197 CO -0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.13 3hri n GLY 198 N 0.72 0.64 3.78 0.83 0.00 -0.74 -4.90 105.19 105.53 3hri n GLY 198 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3hri n GLY 198 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hri s LEU 199 N 0.00 4.48 0.53 0.99 1.43 -0.61 -5.00 118.68 120.50 3hri s LEU 199 Ca 0.00 1.24 0.09 0.00 -1.03 0.00 0.00 54.13 54.43 3hri s LEU 199 Cb 0.00 -2.94 0.06 0.00 0.03 0.00 0.00 46.19 43.34 3hri s LEU 199 CO 0.00 0.18 0.68 -0.94 0.23 0.00 0.00 176.35 176.50 3hri s SER 200 N -0.65 5.19 0.59 2.29 1.04 -1.26 -3.97 113.70 116.93 3hri s SER 200 Ca 0.31 -0.78 0.39 0.00 0.48 0.00 0.00 55.95 56.34 3hri s SER 200 Cb -0.19 0.03 1.88 0.00 0.10 0.00 0.00 66.02 67.84 3hri s SER 200 CO 0.19 -1.14 2.16 0.77 0.98 0.00 0.00 173.24 176.20 3hri h SER 201 N 0.39 0.00 1.64 7.02 4.64 -1.90 -1.78 113.55 123.56 3hri h SER 201 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3hri h SER 201 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3hri h SER 201 CO 0.44 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.51 3hri h LYS 202 N 0.00 0.00 0.02 4.77 6.56 -1.94 -3.37 116.57 122.61 3hri h LYS 202 Ca 0.00 0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 59.33 3hri h LYS 202 Cb 0.24 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.86 3hri h LYS 202 CO 0.00 0.00 -1.44 -0.25 -2.06 0.00 0.00 179.45 175.70 3hri n ASP 203 N -2.68 1.90 -4.23 0.86 8.00 -0.69 -4.72 116.55 114.99 3hri n ASP 203 Ca 0.04 0.39 -0.21 0.00 0.71 0.00 0.00 54.79 55.72 3hri n ASP 203 Cb 0.46 -0.94 -0.09 0.00 -0.02 0.00 0.00 41.12 40.52 3hri n ASP 203 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3hri s VAL 204 N -2.40 0.71 0.26 2.53 -7.23 -1.05 -1.09 120.40 112.14 3hri s VAL 204 Ca -0.29 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.69 3hri s VAL 204 Cb 0.07 -2.57 0.07 0.00 0.56 0.00 0.00 36.38 34.50 3hri s VAL 204 CO 0.61 0.00 0.94 -0.83 -0.31 0.00 0.00 175.10 175.51 3hri s GLY 205 N -3.47 0.22 -0.10 2.32 0.00 -0.41 -4.45 107.32 101.45 3hri s GLY 205 Ca 0.33 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.54 3hri s GLY 205 CO 0.15 1.44 -0.09 0.14 0.00 0.00 0.00 173.10 174.74 3hri s VAL 206 N -2.18 1.05 0.12 1.40 1.01 -1.09 -1.51 120.40 119.19 3hri s VAL 206 Ca 0.20 -0.34 -0.26 0.00 0.00 0.00 0.00 61.98 61.57 3hri s VAL 206 Cb -0.04 -1.03 -0.07 0.00 0.00 0.00 0.00 36.38 35.24 3hri s VAL 206 CO 0.08 0.36 0.80 -0.54 0.00 0.00 0.00 175.10 175.80 3hri s LYS 207 N 1.36 4.57 -0.06 2.72 1.02 0.19 -1.39 119.74 128.14 3hri s LYS 207 Ca -0.02 1.17 0.03 0.00 0.02 0.00 0.00 55.97 57.18 3hri s LYS 207 Cb -0.14 -3.31 -0.03 0.00 -0.52 0.00 0.00 37.83 33.84 3hri s LYS 207 CO -0.04 0.43 -0.14 0.42 -0.92 0.00 0.00 175.35 175.11 3hri s ILE 208 N -0.66 3.12 0.07 2.17 1.09 0.28 -2.56 121.20 124.72 3hri s ILE 208 Ca 0.38 -0.70 -0.14 0.00 -1.10 0.00 0.00 60.65 59.09 3hri s ILE 208 Cb -0.22 -2.23 0.02 0.00 -1.06 0.00 0.00 42.46 38.97 3hri s ILE 208 CO 0.26 0.59 0.33 0.21 -0.10 0.00 0.00 174.94 176.23 3hri s ASN 209 N -0.66 -0.15 -0.01 3.58 2.47 -1.16 -1.16 114.94 117.85 3hri s ASN 209 Ca 0.10 -0.25 0.08 0.00 0.42 0.00 0.00 52.86 53.20 3hri s ASN 209 Cb -0.11 0.40 -0.02 0.00 -1.45 0.00 0.00 41.25 40.07 3hri s ASN 209 CO 0.01 -0.70 -0.24 -0.55 -3.72 0.00 0.00 177.10 171.90 3hri s SER 210 N -2.35 2.86 0.48 -4.21 0.15 -1.26 -0.32 113.70 109.06 3hri s SER 210 Ca -0.02 -0.45 0.28 0.00 0.70 0.00 0.00 55.95 56.46 3hri s SER 210 Cb 0.01 -0.31 0.85 0.00 -1.71 0.00 0.00 66.02 64.85 3hri s SER 210 CO -0.06 0.29 1.79 0.08 1.20 0.00 0.00 173.24 176.54 3hri h ARG 211 N 5.47 0.00 -0.06 5.44 0.11 -1.72 -3.11 114.38 120.50 3hri h ARG 211 Ca -0.42 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.63 3hri h ARG 211 Cb 1.13 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.20 3hri h ARG 211 CO 0.47 0.00 -0.10 0.87 0.10 0.00 0.00 179.97 181.31 3hri h LYS 212 N 0.00 0.09 -0.12 0.08 1.57 -1.80 0.54 116.57 116.93 3hri h LYS 212 Ca 0.00 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3hri h LYS 212 Cb 0.75 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.99 3hri h LYS 212 CO 0.00 0.20 -0.25 0.82 -0.57 0.00 0.00 179.45 179.65 3hri h ILE 213 N 0.09 0.41 -0.18 1.86 2.04 -1.92 -1.27 117.51 118.54 3hri h ILE 213 Ca 0.02 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.73 3hri h ILE 213 Cb 0.24 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3hri h ILE 213 CO 0.01 0.00 -0.47 0.25 0.00 0.00 0.00 178.15 177.94 3hri h LEU 214 N -0.32 0.72 -0.41 1.44 7.12 -1.50 -2.67 115.31 119.69 3hri h LEU 214 Ca 0.10 -0.58 -0.13 0.00 0.13 0.00 0.00 57.88 57.40 3hri h LEU 214 Cb 0.47 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.38 3hri h LEU 214 CO -0.30 1.17 -0.25 0.06 -0.13 0.00 0.00 178.44 179.00 3hri h GLN 215 N 0.31 0.89 0.00 1.25 3.07 -0.94 -2.98 115.11 116.71 3hri h GLN 215 Ca -0.01 -0.41 0.00 0.00 0.09 0.00 0.00 58.65 58.32 3hri h GLN 215 Cb 1.09 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.64 3hri h GLN 215 CO 0.10 1.06 0.00 0.25 0.09 0.00 0.00 178.83 180.33 3hri n THR 216 N -4.17 0.55 -0.18 1.86 -2.24 -0.48 -1.65 114.28 107.97 3hri n THR 216 Ca -0.01 -0.08 -0.09 0.00 -2.27 0.00 0.00 64.05 61.60 3hri n THR 216 Cb 0.46 -0.72 0.01 0.00 -2.10 0.00 0.00 70.33 67.99 3hri n THR 216 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3hri h VAL 217 N 0.00 1.24 -2.93 2.28 2.07 -1.32 -3.42 116.25 114.17 3hri h VAL 217 Ca 0.00 -0.82 -0.57 0.00 0.82 0.00 0.00 66.70 66.13 3hri h VAL 217 Cb 0.58 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 3hri h VAL 217 CO 0.00 0.30 1.12 -0.69 0.02 0.00 0.00 177.57 178.32 3hri s VAL 218 N -5.35 3.78 -0.45 2.57 1.01 -0.66 -5.10 120.40 116.20 3hri s VAL 218 Ca -0.13 0.85 0.06 0.00 0.00 0.00 0.00 61.98 62.75 3hri s VAL 218 Cb 0.12 -3.89 0.30 0.00 0.00 0.00 0.00 36.38 32.92 3hri s VAL 218 CO 0.80 -0.45 1.10 -0.62 0.00 0.00 0.00 175.10 175.93 3hri n GLU 219 N 7.84 0.89 0.00 2.72 1.02 -1.26 -4.97 120.64 126.88 3hri n GLU 219 Ca 0.18 -1.77 0.00 0.00 -0.02 0.00 0.00 57.16 55.55 3hri n GLU 219 Cb 0.46 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 3hri n GLU 219 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3hri n ASP 226 N 0.64 0.52 -3.51 1.62 10.43 -1.26 -5.20 116.55 119.79 3hri n ASP 226 Ca 0.06 0.00 -0.40 0.00 2.57 0.00 0.00 54.79 57.01 3hri n ASP 226 Cb 0.69 0.00 -0.00 0.00 1.84 0.00 0.00 41.12 43.65 3hri n ASP 226 CO 0.00 0.00 0.00 2.29 -1.07 0.00 0.00 177.20 178.42 3hri n LYS 227 N -2.62 4.51 -0.13 -1.24 0.00 -1.26 -4.55 118.16 112.87 3hri n LYS 227 Ca 0.00 -3.44 -0.24 0.00 -0.00 0.00 0.00 58.31 54.62 3hri n LYS 227 Cb 0.28 -2.66 -0.11 0.00 -0.00 0.00 0.00 35.03 32.54 3hri n LYS 227 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3hri n PHE 228 N 1.93 0.07 -0.34 5.58 7.35 -1.26 -4.53 117.46 126.26 3hri n PHE 228 Ca 0.61 0.02 0.33 0.00 -0.76 0.00 0.00 57.45 57.65 3hri n PHE 228 Cb 0.25 -1.01 0.69 0.00 0.35 0.00 0.00 39.48 39.77 3hri n PHE 228 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3hri h ALA 229 N -0.52 2.91 -0.15 3.13 0.00 -1.94 -0.18 119.26 122.51 3hri h ALA 229 Ca -0.63 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.31 3hri h ALA 229 Cb 1.74 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 3hri h ALA 229 CO -0.26 -1.29 0.11 -1.35 0.00 0.00 0.00 179.25 176.46 3hri h PRO 230 N 0.10 0.00 -0.35 0.00 0.11 -1.95 -3.07 132.00 126.84 3hri h PRO 230 Ca 0.59 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.62 3hri h PRO 230 Cb 2.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 33.24 3hri h PRO 230 CO -0.10 0.00 -0.11 0.28 -0.21 0.00 0.00 178.00 177.86 3hri h VAL 231 N 0.00 1.28 -0.76 3.15 2.07 -1.32 -3.29 116.25 117.38 3hri h VAL 231 Ca 0.07 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 3hri h VAL 231 Cb 0.29 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 3hri h VAL 231 CO -0.00 0.39 0.41 0.00 0.02 0.00 0.00 177.57 178.39 3hri h VAL 233 N 1.07 0.32 0.00 0.00 2.07 -1.64 -2.28 116.25 115.78 3hri h VAL 233 Ca 0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.79 3hri h VAL 233 Cb 0.04 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3hri h VAL 233 CO -0.04 0.00 0.00 0.40 0.02 0.00 0.00 177.57 177.95 3hri h ILE 234 N 0.00 0.00 -2.47 4.57 2.04 -1.72 -3.48 117.51 116.45 3hri h ILE 234 Ca 0.01 -0.81 -0.46 0.00 1.00 0.00 0.00 64.86 64.60 3hri h ILE 234 Cb 0.11 1.80 0.01 0.00 -0.74 0.00 0.00 36.82 38.00 3hri h ILE 234 CO -0.00 0.00 -0.23 -0.69 0.00 0.00 0.00 178.15 177.23 3hri s VAL 235 N -3.31 4.58 0.00 1.67 1.01 -0.86 -5.21 120.40 118.29 3hri s VAL 235 Ca 0.06 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.37 3hri s VAL 235 Cb 0.07 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.79 3hri s VAL 235 CO 0.62 -0.37 0.00 -2.65 0.00 0.00 0.00 175.10 172.71 3hri n PRO 242 N -1.78 -0.46 -0.07 2.72 -0.02 -1.26 -5.16 135.00 128.97 3hri n PRO 242 Ca -0.03 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.26 3hri n PRO 242 Cb 0.57 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.93 3hri n PRO 242 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3hri h ARG 243 N 0.00 0.05 0.00 -0.52 -0.00 -2.06 -3.40 114.38 108.46 3hri h ARG 243 Ca 0.00 -0.09 -0.10 0.00 -0.00 0.00 0.00 59.98 59.79 3hri h ARG 243 Cb 0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 29.97 29.98 3hri h ARG 243 CO 0.00 1.04 -1.25 -0.85 -0.00 0.00 0.00 179.97 178.91 3hri n GLU 244 N -4.40 0.61 0.10 0.08 0.28 -1.26 -3.98 120.64 112.09 3hri n GLU 244 Ca -0.23 0.18 0.10 0.00 -0.16 0.00 0.00 57.16 57.06 3hri n GLU 244 Cb 0.65 -1.82 0.44 0.00 1.43 0.00 0.00 31.44 32.15 3hri n GLU 244 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3hri n GLU 245 N -2.80 0.14 -0.12 3.44 -0.58 -1.26 -2.90 120.64 116.56 3hri n GLU 245 Ca -0.06 0.41 -0.11 0.00 -0.42 0.00 0.00 57.16 56.98 3hri n GLU 245 Cb 0.72 -1.79 -0.02 0.00 -0.57 0.00 0.00 31.44 29.78 3hri n GLU 245 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3hri h VAL 246 N 0.00 1.26 0.00 2.62 2.07 -1.76 -3.29 116.25 117.15 3hri h VAL 246 Ca 0.00 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.53 3hri h VAL 246 Cb 0.29 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3hri h VAL 246 CO 0.00 0.32 0.00 0.58 0.02 0.00 0.00 177.57 178.49 3hri h VAL 247 N 0.42 0.00 0.29 2.57 2.07 -1.78 -3.29 116.25 116.53 3hri h VAL 247 Ca 0.10 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 3hri h VAL 247 Cb 0.46 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3hri h VAL 247 CO 0.02 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 177.47 3hri h ALA 248 N 2.11 -0.39 -0.10 1.67 0.00 -1.73 -2.93 119.26 117.88 3hri h ALA 248 Ca 0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 3hri h ALA 248 Cb 0.32 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3hri h ALA 248 CO 0.00 -0.41 -0.54 -0.56 0.00 0.00 0.00 179.25 177.73 3hri h GLN 249 N -0.99 0.29 -0.24 0.00 3.07 -1.75 -3.18 115.11 112.31 3hri h GLN 249 Ca -0.04 -0.18 -0.08 0.00 0.09 0.00 0.00 58.65 58.44 3hri h GLN 249 Cb 0.47 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.04 3hri h GLN 249 CO 0.06 0.76 -0.15 -0.07 0.09 0.00 0.00 178.83 179.53 3hri h LEU 250 N 0.23 0.54 -1.85 0.06 3.38 -1.71 -3.32 115.31 112.65 3hri h LEU 250 Ca 0.00 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 3hri h LEU 250 Cb 1.03 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3hri h LEU 250 CO 0.09 0.86 -0.00 0.00 0.09 0.00 0.00 178.44 179.47 3hri h ALA 251 N 0.70 1.00 -0.71 1.53 0.00 -1.49 -3.36 119.26 116.94 3hri h ALA 251 Ca 0.05 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.39 3hri h ALA 251 Cb 0.67 -0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.25 3hri h ALA 251 CO 0.04 0.00 0.64 0.00 0.00 0.00 0.00 179.25 179.93 3hri n ALA 252 N -2.09 6.25 0.15 0.00 0.00 -1.24 -3.69 120.51 119.89 3hri n ALA 252 Ca -0.00 -3.16 0.00 0.00 0.00 0.00 0.00 53.44 50.27 3hri n ALA 252 Cb 0.25 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.76 3hri n ALA 252 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hri n ILE 253 N 0.19 0.00 -2.67 0.00 5.41 -1.26 -5.04 119.36 115.99 3hri n ILE 253 Ca 0.49 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 64.19 3hri n ILE 253 Cb 0.48 -0.45 0.05 0.00 -0.71 0.00 0.00 39.64 39.01 3hri n ILE 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hri n GLY 254 N 1.29 0.33 3.20 7.39 0.00 -1.26 -5.14 105.19 110.99 3hri n GLY 254 Ca 0.00 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 3hri n GLY 254 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hri s LEU 255 N -2.67 2.06 0.57 0.99 1.02 -1.24 -5.11 118.68 114.29 3hri s LEU 255 Ca 0.12 -0.55 -0.07 0.00 0.02 0.00 0.00 54.13 53.66 3hri s LEU 255 Cb 0.23 -1.37 -0.01 0.00 0.02 0.00 0.00 46.19 45.06 3hri s LEU 255 CO -0.05 0.14 0.90 -1.61 0.02 0.00 0.00 176.35 175.75 3hri s GLU 256 N 0.43 3.15 0.00 1.70 8.01 -1.26 -4.73 118.70 126.00 3hri s GLU 256 Ca -0.17 0.17 0.18 0.00 0.01 0.00 0.00 54.97 55.16 3hri s GLU 256 Cb -0.18 -2.26 0.90 0.00 -4.31 0.00 0.00 34.13 28.29 3hri s GLU 256 CO 0.07 -0.58 1.57 -1.13 0.01 0.00 0.00 175.26 175.20 3hri n SER 257 N -2.55 0.00 -0.04 -0.19 3.41 -1.26 -2.39 113.62 110.59 3hri n SER 257 Ca 0.04 0.12 -0.16 0.00 -0.26 0.00 0.00 58.87 58.61 3hri n SER 257 Cb 0.56 -0.33 -0.05 0.00 -0.26 0.00 0.00 64.21 64.14 3hri n SER 257 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3hri h ASN 258 N 0.00 0.94 0.87 4.04 4.21 -2.03 -3.24 115.58 120.37 3hri h ASN 258 Ca 0.00 -0.56 -0.04 0.00 1.21 0.00 0.00 56.30 56.91 3hri h ASN 258 Cb 0.20 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.12 3hri h ASN 258 CO 0.00 1.36 -0.20 1.62 -1.29 0.00 0.00 177.43 178.91 3hri h VAL 259 N 0.59 0.52 -0.07 2.81 3.04 -1.87 -3.14 116.25 118.14 3hri h VAL 259 Ca -0.02 -1.03 0.02 0.00 -1.01 0.00 0.00 66.70 64.66 3hri h VAL 259 Cb 1.28 1.71 -0.02 0.00 -2.01 0.00 0.00 31.29 32.26 3hri h VAL 259 CO 0.14 0.20 -0.03 0.58 -1.01 0.00 0.00 177.57 177.45 3hri h VAL 260 N 0.00 0.90 -0.82 1.51 2.07 -1.57 -2.11 116.25 116.22 3hri h VAL 260 Ca -0.00 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.71 3hri h VAL 260 Cb 0.69 0.90 -0.15 0.00 -1.52 0.00 0.00 31.29 31.22 3hri h VAL 260 CO 0.03 0.00 -0.01 0.44 0.02 0.00 0.00 177.57 178.04 3hri h ASP 261 N -0.02 -0.42 0.41 0.57 3.32 -1.64 0.13 116.42 118.76 3hri h ASP 261 Ca 0.04 0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 3hri h ASP 261 Cb 0.07 0.40 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 3hri h ASP 261 CO -0.08 -0.23 -0.40 0.00 -1.72 0.00 0.00 179.24 176.81 3hri h ALA 262 N 1.79 -0.87 0.35 3.45 0.00 -1.50 -1.05 119.26 121.43 3hri h ALA 262 Ca 0.46 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 3hri h ALA 262 Cb 0.83 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3hri h ALA 262 CO -0.75 -1.03 -0.17 0.82 0.00 0.00 0.00 179.25 178.13 3hri h ILE 263 N -0.82 0.60 -0.39 0.00 2.04 -1.31 -2.13 117.51 115.49 3hri h ILE 263 Ca -0.03 -0.60 0.07 0.00 1.00 0.00 0.00 64.86 65.30 3hri h ILE 263 Cb 0.73 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 37.61 3hri h ILE 263 CO -0.06 0.10 -0.11 0.41 0.00 0.00 0.00 178.15 178.49 3hri n THR 264 N -5.15 -0.18 0.90 -0.27 -1.04 0.41 -1.68 114.28 107.28 3hri n THR 264 Ca -0.10 0.90 0.11 0.00 -2.04 0.00 0.00 64.05 62.93 3hri n THR 264 Cb 0.27 -1.24 0.05 0.00 -1.82 0.00 0.00 70.33 67.59 3hri n THR 264 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3hri n SER 265 N -4.62 0.72 -0.04 8.00 3.41 -0.40 -4.23 113.62 116.46 3hri n SER 265 Ca 0.06 -0.56 -0.12 0.00 -0.26 0.00 0.00 58.87 57.99 3hri n SER 265 Cb 0.19 0.70 -0.10 0.00 -0.26 0.00 0.00 64.21 64.73 3hri n SER 265 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3hri h THR 266 N 0.00 1.40 -0.99 6.66 1.35 -0.64 -3.33 112.91 117.35 3hri h THR 266 Ca 0.00 -1.81 0.37 0.00 -0.55 0.00 0.00 66.41 64.42 3hri h THR 266 Cb 0.55 2.53 -0.17 0.00 -1.73 0.00 0.00 68.15 69.33 3hri h THR 266 CO 0.00 0.43 0.47 -0.07 -0.25 0.00 0.00 175.52 176.10 3hri h LEU 267 N -0.89 0.26 -0.07 3.87 4.07 -1.73 0.12 115.31 120.94 3hri h LEU 267 Ca -0.00 0.24 0.00 0.00 0.08 0.00 0.00 57.88 58.20 3hri h LEU 267 Cb 0.74 0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.74 3hri h LEU 267 CO 0.01 -0.34 -0.01 -1.54 -1.08 0.00 0.00 178.44 175.47 3hri n SER 268 N -5.23 0.13 -4.71 -0.43 3.41 -1.25 -1.92 113.62 103.61 3hri n SER 268 Ca 0.34 -0.64 -0.42 0.00 -0.26 0.00 0.00 58.87 57.89 3hri n SER 268 Cb 1.12 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.93 3hri n SER 268 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hri s LEU 269 N -2.28 4.35 -0.03 1.04 1.43 0.41 -4.95 118.68 118.65 3hri s LEU 269 Ca 0.38 1.75 0.10 0.00 -1.03 0.00 0.00 54.13 55.32 3hri s LEU 269 Cb 0.21 -3.57 0.29 0.00 0.03 0.00 0.00 46.19 43.15 3hri s LEU 269 CO 0.42 -0.36 1.23 0.29 0.23 0.00 0.00 176.35 178.16 3hri n LYS 270 N 4.15 2.86 -3.96 1.70 4.01 -1.26 -2.77 118.16 122.89 3hri n LYS 270 Ca 0.07 -2.08 -0.09 0.00 -0.51 0.00 0.00 58.31 55.70 3hri n LYS 270 Cb 0.49 -1.31 -0.10 0.00 -0.51 0.00 0.00 35.03 33.60 3hri n LYS 270 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 3hri s THR 271 N -1.27 0.12 0.23 -0.18 -4.23 -1.26 -4.78 115.64 104.26 3hri s THR 271 Ca 0.22 -0.99 -0.05 0.00 -1.18 0.00 0.00 61.69 59.69 3hri s THR 271 Cb 0.13 -0.52 0.14 0.00 1.34 0.00 0.00 72.50 73.60 3hri s THR 271 CO 0.12 -0.54 1.77 0.40 -0.54 0.00 0.00 174.62 175.83 3hri h ILE 272 N 4.27 1.25 -0.94 2.99 2.04 -1.94 -2.04 117.51 123.14 3hri h ILE 272 Ca -0.32 -0.89 0.12 0.00 1.00 0.00 0.00 64.86 64.77 3hri h ILE 272 Cb 1.20 0.53 -0.08 0.00 -0.74 0.00 0.00 36.82 37.72 3hri h ILE 272 CO 0.45 0.34 0.57 0.44 0.00 0.00 0.00 178.15 179.95 3hri h ASP 273 N 1.00 0.82 -0.20 1.72 3.32 -1.98 0.35 116.42 121.44 3hri h ASP 273 Ca 0.22 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.23 3hri h ASP 273 Cb 0.31 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3hri h ASP 273 CO -0.00 0.43 -0.18 -0.08 -1.72 0.00 0.00 179.24 177.69 3hri h GLU 274 N 0.90 0.63 -0.23 3.56 4.81 -1.76 0.30 114.58 122.79 3hri h GLU 274 Ca 0.47 -0.22 -0.18 0.00 -0.13 0.00 0.00 59.36 59.30 3hri h GLU 274 Cb 0.48 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3hri h GLU 274 CO -0.27 0.77 -0.57 0.82 -0.73 0.00 0.00 179.01 179.03 3hri h ILE 275 N 0.56 1.29 -0.43 2.32 1.08 -0.81 -3.27 117.51 118.26 3hri h ILE 275 Ca 0.09 -1.77 -0.12 0.00 -0.39 0.00 0.00 64.86 62.67 3hri h ILE 275 Cb 0.62 1.80 -0.01 0.00 -3.07 0.00 0.00 36.82 36.17 3hri h ILE 275 CO 0.04 0.57 -0.21 0.00 -0.69 0.00 0.00 178.15 177.86 3hri h ALA 276 N 0.62 0.60 0.00 1.87 0.00 -0.05 0.11 119.26 122.41 3hri h ALA 276 Ca -0.01 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 3hri h ALA 276 Cb 1.19 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 3hri h ALA 276 CO 0.12 0.58 -0.20 0.94 0.00 0.00 0.00 179.25 180.69 3hri n GLN 277 N -4.19 1.50 0.04 0.00 7.27 0.10 -1.15 117.38 120.95 3hri n GLN 277 Ca -0.01 -0.58 0.00 0.00 0.07 0.00 0.00 57.00 56.48 3hri n GLN 277 Cb 0.44 -1.62 0.00 0.00 2.41 0.00 0.00 30.24 31.47 3hri n GLN 277 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3hri n ARG 278 N 2.18 0.00 0.01 3.69 5.12 -1.18 -4.95 116.66 121.52 3hri n ARG 278 Ca 0.25 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 56.18 3hri n ARG 278 Cb 0.70 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.91 3hri n ARG 278 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 3hri n ILE 279 N -2.37 1.03 0.00 0.55 2.08 0.39 -5.07 119.36 115.96 3hri n ILE 279 Ca 0.00 -0.68 0.00 0.00 0.56 0.00 0.00 62.75 62.63 3hri n ILE 279 Cb 0.00 -0.58 0.00 0.00 -0.75 0.00 0.00 39.64 38.31 3hri n ILE 279 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3hri n GLY 280 N 1.41 3.86 0.12 7.39 0.00 -0.30 -4.70 105.19 112.96 3hri n GLY 280 Ca -0.11 -1.35 0.12 0.00 0.00 0.00 0.00 46.02 44.68 3hri n GLY 280 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hri n GLU 281 N 0.04 0.21 0.12 1.61 -0.00 -1.18 -1.99 120.64 119.46 3hri n GLU 281 Ca 0.00 0.34 0.12 0.00 -0.00 0.00 0.00 57.16 57.63 3hri n GLU 281 Cb 0.00 -1.84 0.23 0.00 -0.00 0.00 0.00 31.44 29.83 3hri n GLU 281 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3hri h GLU 282 N 0.00 0.00 -7.09 3.44 4.39 -1.91 -3.39 114.58 110.01 3hri h GLU 282 Ca 0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 3hri h GLU 282 Cb 0.49 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 29.24 3hri h GLU 282 CO 0.00 0.00 0.45 -1.58 -1.16 0.00 0.00 179.01 176.72 3hri s HIS 283 N -3.18 2.52 0.28 4.33 2.46 -0.84 -4.75 115.29 116.10 3hri s HIS 283 Ca 0.07 1.53 -0.01 0.00 0.47 0.00 0.00 55.06 57.12 3hri s HIS 283 Cb 0.10 -3.40 0.64 0.00 -0.13 0.00 0.00 32.58 29.80 3hri s HIS 283 CO 0.67 -1.92 1.62 0.93 -2.47 0.00 0.00 174.74 173.57 3hri h GLU 284 N 1.04 0.10 -0.29 2.88 5.08 -1.93 -0.89 114.58 120.57 3hri h GLU 284 Ca -0.50 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3hri h GLU 284 Cb 1.28 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 3hri h GLU 284 CO 0.56 0.07 0.17 0.00 -1.00 0.00 0.00 179.01 178.81 3hri h ALA 285 N 1.83 0.38 0.00 3.43 0.00 -1.91 -0.86 119.26 122.13 3hri h ALA 285 Ca 0.53 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 55.20 3hri h ALA 285 Cb 1.04 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3hri h ALA 285 CO -0.75 -0.11 -0.95 -0.39 0.00 0.00 0.00 179.25 177.04 3hri h VAL 286 N 0.37 1.21 -0.38 0.00 -1.51 -1.73 -2.15 116.25 112.06 3hri h VAL 286 Ca 0.10 -2.79 -0.06 0.00 -1.23 0.00 0.00 66.70 62.73 3hri h VAL 286 Cb 0.03 2.57 -0.02 0.00 -2.13 0.00 0.00 31.29 31.74 3hri h VAL 286 CO -0.02 0.69 -0.02 0.03 -1.23 0.00 0.00 177.57 177.02 3hri h ARG 287 N 0.00 0.60 0.56 5.19 3.08 -1.00 -1.96 114.38 120.85 3hri h ARG 287 Ca -0.05 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 3hri h ARG 287 Cb 1.65 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 31.62 3hri h ARG 287 CO 0.09 0.64 -0.27 0.93 -1.07 0.00 0.00 179.97 180.29 3hri h GLU 288 N 0.57 -0.73 -0.73 0.04 5.08 -1.08 -2.29 114.58 115.44 3hri h GLU 288 Ca 0.12 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 58.68 3hri h GLU 288 Cb 0.39 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 3hri h GLU 288 CO 0.02 -0.44 0.49 -0.07 -1.00 0.00 0.00 179.01 178.01 3hri h LEU 289 N -1.12 0.35 0.06 1.33 3.38 -1.39 0.32 115.31 118.24 3hri h LEU 289 Ca -0.08 0.02 -0.27 0.00 0.09 0.00 0.00 57.88 57.65 3hri h LEU 289 Cb 0.62 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.33 3hri h LEU 289 CO 0.13 0.18 -1.18 0.03 0.09 0.00 0.00 178.44 177.68 3hri h ARG 290 N 0.37 0.31 -0.30 1.13 3.08 -1.42 -1.61 114.38 115.94 3hri h ARG 290 Ca 0.36 -0.48 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 3hri h ARG 290 Cb 0.87 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 3hri h ARG 290 CO -0.11 1.20 0.17 0.22 -1.07 0.00 0.00 179.97 180.39 3hri h ASP 291 N 0.11 0.37 0.12 7.04 3.58 -0.65 -1.76 116.42 125.23 3hri h ASP 291 Ca -0.13 -0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.25 3hri h ASP 291 Cb 1.89 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 42.84 3hri h ASP 291 CO 0.20 0.33 -0.11 0.15 -2.88 0.00 0.00 179.24 176.93 3hri h PHE 292 N 0.37 -0.32 -0.95 0.28 3.04 -0.35 0.17 116.94 119.18 3hri h PHE 292 Ca 0.11 0.00 0.24 0.00 3.98 0.00 0.00 57.97 62.30 3hri h PHE 292 Cb 0.04 0.12 -0.13 0.00 2.56 0.00 0.00 35.95 38.55 3hri h PHE 292 CO -0.04 -0.15 0.48 -0.84 -2.02 0.00 0.00 178.31 175.74 3hri h ILE 293 N -0.23 0.48 -0.42 1.41 -0.00 -1.36 0.18 117.51 117.58 3hri h ILE 293 Ca -0.02 -0.16 -0.09 0.00 -0.00 0.00 0.00 64.86 64.60 3hri h ILE 293 Cb 0.20 -0.02 -0.02 0.00 -0.00 0.00 0.00 36.82 36.98 3hri h ILE 293 CO -0.01 0.08 -0.11 0.74 -0.00 0.00 0.00 178.15 178.85 3hri h THR 294 N 0.46 1.25 0.07 0.16 2.02 -1.09 0.15 112.91 115.94 3hri h THR 294 Ca 0.61 -1.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.63 3hri h THR 294 Cb 1.17 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 3hri h THR 294 CO -0.52 0.39 -0.03 1.56 0.37 0.00 0.00 175.52 177.29 3hri h GLN 295 N 0.67 -0.09 -0.86 6.66 4.20 0.13 -2.15 115.11 123.67 3hri h GLN 295 Ca 0.12 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.86 3hri h GLN 295 Cb 0.58 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.33 3hri h GLN 295 CO 0.04 0.29 0.56 0.82 -0.67 0.00 0.00 178.83 179.86 3hri h ILE 296 N -0.50 1.15 -0.68 2.54 1.08 -0.63 0.11 117.51 120.59 3hri h ILE 296 Ca -0.01 -0.37 0.08 0.00 -0.39 0.00 0.00 64.86 64.16 3hri h ILE 296 Cb 0.43 -0.04 -0.06 0.00 -3.07 0.00 0.00 36.82 34.08 3hri h ILE 296 CO 0.02 0.20 0.35 -0.33 -0.69 0.00 0.00 178.15 177.70 3hri h GLU 297 N 1.09 0.60 0.00 2.37 5.08 -0.73 -1.13 114.58 121.86 3hri h GLU 297 Ca 0.34 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 3hri h GLU 297 Cb -0.01 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3hri h GLU 297 CO -0.11 0.40 -0.21 0.00 -1.00 0.00 0.00 179.01 178.09 3hri h ALA 298 N 1.39 1.08 0.06 3.43 0.00 -0.18 -2.58 119.26 122.46 3hri h ALA 298 Ca 0.32 -0.19 -0.27 0.00 0.00 0.00 0.00 54.91 54.77 3hri h ALA 298 Cb 0.29 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3hri h ALA 298 CO -0.23 0.27 -1.34 -0.92 0.00 0.00 0.00 179.25 177.03 3hri h TYR 299 N 0.00 0.22 0.00 0.00 5.03 -0.37 -3.48 116.97 118.36 3hri h TYR 299 Ca -0.00 -0.16 0.00 0.00 2.58 0.00 0.00 58.73 61.15 3hri h TYR 299 Cb 0.65 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.93 3hri h TYR 299 CO 0.00 1.17 0.00 0.41 -1.32 0.00 0.00 178.16 178.42 3hri n GLY 300 N 1.52 1.92 0.81 1.82 0.00 -0.48 -5.02 105.19 105.75 3hri n GLY 300 Ca -0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.95 3hri n GLY 300 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hri n PHE 301 N 0.00 0.58 -0.27 1.61 3.72 -0.87 -4.78 117.46 117.45 3hri n PHE 301 Ca 0.00 -1.41 0.13 0.00 -0.05 0.00 0.00 57.45 56.12 3hri n PHE 301 Cb 0.00 -0.35 0.40 0.00 -0.94 0.00 0.00 39.48 38.59 3hri n PHE 301 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3hri h GLY 302 N 0.96 1.17 1.08 1.37 0.00 -1.78 -0.94 103.07 104.94 3hri h GLY 302 Ca 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3hri h GLY 302 CO 0.20 0.07 -0.05 1.22 0.00 0.00 0.00 176.54 177.97 3hri n ASP 303 N -4.56 0.28 -0.10 0.19 8.00 -1.26 -3.76 116.55 115.34 3hri n ASP 303 Ca 0.18 -0.55 -0.23 0.00 0.71 0.00 0.00 54.79 54.91 3hri n ASP 303 Cb 0.51 -0.13 -0.12 0.00 -0.02 0.00 0.00 41.12 41.37 3hri n ASP 303 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3hri n TRP 304 N -1.02 0.93 -1.63 1.24 7.02 -0.36 -4.89 117.44 118.72 3hri n TRP 304 Ca 0.16 0.37 -0.33 0.00 -1.02 0.00 0.00 57.50 56.68 3hri n TRP 304 Cb 0.24 -1.10 0.06 0.00 -2.42 0.00 0.00 31.31 28.09 3hri n TRP 304 CO 0.00 0.00 0.00 0.14 -2.02 0.00 0.00 177.69 175.81 3hri s VAL 305 N -2.40 3.16 -0.24 -0.99 -7.23 -1.16 -2.67 120.40 108.86 3hri s VAL 305 Ca -0.29 0.51 -0.23 0.00 -1.81 0.00 0.00 61.98 60.16 3hri s VAL 305 Cb 0.07 -3.02 0.06 0.00 0.56 0.00 0.00 36.38 34.05 3hri s VAL 305 CO 0.60 -0.36 0.66 -0.51 -0.31 0.00 0.00 175.10 175.18 3hri s ILE 306 N -2.41 0.00 0.07 -0.62 2.07 -0.49 -4.86 121.20 114.97 3hri s ILE 306 Ca 0.67 -0.00 -0.21 0.00 -1.41 0.00 0.00 60.65 59.70 3hri s ILE 306 Cb -0.21 -0.91 -0.07 0.00 0.13 0.00 0.00 42.46 41.41 3hri s ILE 306 CO 0.44 -0.00 0.61 0.12 -1.91 0.00 0.00 174.94 174.21 3hri s PHE 307 N 0.30 3.79 -0.27 3.50 5.36 -1.26 0.10 117.98 129.51 3hri s PHE 307 Ca -0.00 1.32 -0.01 0.00 -0.96 0.00 0.00 56.93 57.28 3hri s PHE 307 Cb -0.04 -2.57 0.15 0.00 -0.34 0.00 0.00 43.02 40.21 3hri s PHE 307 CO 0.01 0.51 0.43 0.34 -1.46 0.00 0.00 175.22 175.05 3hri s ASP 308 N -0.86 -0.01 0.63 6.13 -1.08 -0.31 -4.72 116.67 116.45 3hri s ASP 308 Ca 0.31 0.12 0.38 0.00 -0.52 0.00 0.00 52.55 52.83 3hri s ASP 308 Cb -0.20 1.29 2.07 0.00 -1.46 0.00 0.00 42.92 44.63 3hri s ASP 308 CO 0.20 -0.31 2.16 0.00 0.52 0.00 0.00 175.17 177.74 3hri h ALA 309 N 8.14 1.10 -0.20 3.66 0.00 -1.64 -2.92 119.26 127.41 3hri h ALA 309 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3hri h ALA 309 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3hri h ALA 309 CO 0.26 -0.10 0.00 -1.13 0.00 0.00 0.00 179.25 178.28 3hri n SER 310 N -2.93 1.67 -4.62 0.00 3.41 -0.81 -4.53 113.62 105.81 3hri n SER 310 Ca -0.03 -1.77 -0.43 0.00 -0.26 0.00 0.00 58.87 56.39 3hri n SER 310 Cb 0.16 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 3hri n SER 310 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hri s VAL 311 N -1.74 3.81 -0.02 -3.33 1.01 -1.10 -4.81 120.40 114.22 3hri s VAL 311 Ca 0.30 0.90 0.07 0.00 0.00 0.00 0.00 61.98 63.25 3hri s VAL 311 Cb 0.16 -3.88 0.13 0.00 0.00 0.00 0.00 36.38 32.79 3hri s VAL 311 CO 0.24 -0.41 1.06 1.33 0.00 0.00 0.00 175.10 177.31 3hri n VAL 312 N 6.55 0.32 -2.30 2.92 0.24 -1.26 -4.93 118.33 119.88 3hri n VAL 312 Ca 0.18 -0.58 -0.34 0.00 -2.04 0.00 0.00 64.34 61.56 3hri n VAL 312 Cb 0.46 0.47 -0.04 0.00 -1.47 0.00 0.00 33.84 33.26 3hri n VAL 312 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3hri s ARG 313 N -0.48 3.08 -0.29 7.34 6.06 -1.26 -3.10 118.95 130.29 3hri s ARG 313 Ca 0.11 -0.86 -0.01 0.00 -2.50 0.00 0.00 55.73 52.47 3hri s ARG 313 Cb 0.12 -5.24 0.00 0.00 0.06 0.00 0.00 34.95 29.89 3hri s ARG 313 CO -0.03 -2.89 0.25 0.41 -2.50 0.00 0.00 175.30 170.54 3hri n GLY 314 N 6.62 0.40 0.00 8.12 0.00 -1.26 -4.97 105.19 114.11 3hri n GLY 314 Ca 0.39 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 46.15 3hri n GLY 314 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hri n LEU 315 N -1.65 0.00 0.17 0.99 0.00 -1.18 -2.19 117.00 113.14 3hri n LEU 315 Ca -0.04 0.45 0.02 0.00 0.00 0.00 0.00 56.01 56.45 3hri n LEU 315 Cb 0.53 -0.45 0.28 0.00 0.00 0.00 0.00 43.42 43.77 3hri n LEU 315 CO 0.14 -0.01 0.61 0.00 0.00 0.00 0.00 177.39 178.14 3hri h ALA 316 N 3.07 1.07 0.00 1.96 0.00 -1.89 -3.30 119.26 120.18 3hri h ALA 316 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3hri h ALA 316 Cb 0.44 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hri h ALA 316 CO 0.00 0.60 -0.98 0.98 0.00 0.00 0.00 179.25 179.85 3hri n TYR 317 N -3.77 0.16 -2.90 0.00 9.36 -0.93 -4.93 117.16 114.15 3hri n TYR 317 Ca -0.01 0.05 -0.18 0.00 3.32 0.00 0.00 57.90 61.07 3hri n TYR 317 Cb 0.53 -0.33 0.02 0.00 -0.63 0.00 0.00 39.34 38.94 3hri n TYR 317 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 3hri s TYR 318 N -3.14 2.69 0.00 2.98 1.51 -1.17 -4.80 117.35 115.42 3hri s TYR 318 Ca 0.05 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 3hri s TYR 318 Cb 0.15 -2.48 0.00 0.00 -0.11 0.00 0.00 41.96 39.52 3hri s TYR 318 CO 0.80 -0.63 0.00 2.41 -1.11 0.00 0.00 175.55 177.02 3hri n THR 319 N -2.04 0.00 0.00 -0.71 -1.04 0.89 -4.95 114.28 106.44 3hri n THR 319 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3hri n THR 319 Cb 0.59 -0.60 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 3hri n THR 319 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hri n GLY 320 N 2.76 4.10 3.69 3.41 0.00 -1.09 -4.57 105.19 113.48 3hri n GLY 320 Ca 0.00 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 3hri n GLY 320 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hri s ILE 321 N 3.46 3.72 0.36 -0.61 1.01 -1.26 -2.07 121.20 125.80 3hri s ILE 321 Ca 0.00 1.12 0.08 0.00 0.00 0.00 0.00 60.65 61.85 3hri s ILE 321 Cb 0.00 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 3hri s ILE 321 CO 0.00 0.01 0.32 0.68 0.00 0.00 0.00 174.94 175.95 3hri s VAL 322 N 2.23 3.29 0.25 2.92 -7.23 0.56 -1.57 120.40 120.85 3hri s VAL 322 Ca 0.63 -1.36 -0.20 0.00 -1.81 0.00 0.00 61.98 59.24 3hri s VAL 322 Cb -0.31 -3.13 0.03 0.00 0.56 0.00 0.00 36.38 33.52 3hri s VAL 322 CO 0.27 -0.13 0.65 0.72 -0.31 0.00 0.00 175.10 176.30 3hri s PHE 323 N -2.35 -0.19 -0.25 2.82 -0.12 0.29 -2.97 117.98 115.21 3hri s PHE 323 Ca 0.43 -0.21 -0.11 0.00 -0.05 0.00 0.00 56.93 56.99 3hri s PHE 323 Cb -0.05 0.59 0.09 0.00 -0.63 0.00 0.00 43.02 43.03 3hri s PHE 323 CO 0.27 -1.11 0.57 -2.00 -0.05 0.00 0.00 175.22 172.90 3hri s GLU 324 N -3.89 0.52 0.57 1.99 2.12 -1.06 -1.53 118.70 117.42 3hri s GLU 324 Ca 0.10 1.18 -0.16 0.00 0.36 0.00 0.00 54.97 56.46 3hri s GLU 324 Cb -0.04 0.39 -0.05 0.00 0.26 0.00 0.00 34.13 34.70 3hri s GLU 324 CO 0.03 -0.19 1.03 0.20 -0.54 0.00 0.00 175.26 175.79 3hri s GLY 325 N 2.23 2.07 -0.12 -1.50 0.00 0.10 -0.64 107.32 109.46 3hri s GLY 325 Ca -0.07 0.29 -0.30 0.00 0.00 0.00 0.00 44.72 44.64 3hri s GLY 325 CO -0.17 0.59 0.93 -0.11 0.00 0.00 0.00 173.10 174.34 3hri s PHE 326 N -2.56 -0.42 0.11 1.90 -0.71 -0.57 -1.95 117.98 113.78 3hri s PHE 326 Ca 0.61 0.66 -0.30 0.00 -1.04 0.00 0.00 56.93 56.87 3hri s PHE 326 Cb -0.14 0.45 -0.06 0.00 -1.21 0.00 0.00 43.02 42.07 3hri s PHE 326 CO 0.36 -0.42 0.98 0.16 -1.34 0.00 0.00 175.22 174.96 3hri s ASP 327 N -1.31 7.47 0.44 1.98 1.47 -1.26 -1.29 116.67 124.18 3hri s ASP 327 Ca -0.03 1.82 0.24 0.00 1.18 0.00 0.00 52.55 55.77 3hri s ASP 327 Cb -0.00 -2.59 0.92 0.00 -0.34 0.00 0.00 42.92 40.90 3hri s ASP 327 CO 0.02 -0.09 1.82 0.03 0.68 0.00 0.00 175.17 177.63 3hri h ARG 328 N 5.57 0.00 0.00 2.11 3.08 -1.39 -1.81 114.38 121.94 3hri h ARG 328 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 3hri h ARG 328 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3hri h ARG 328 CO 0.72 0.21 0.00 -0.25 -1.07 0.00 0.00 179.97 179.58 3hri n ASP 329 N -3.36 0.00 -3.28 7.04 8.00 -1.26 -4.93 116.55 118.76 3hri n ASP 329 Ca 0.00 -0.38 -0.18 0.00 0.71 0.00 0.00 54.79 54.94 3hri n ASP 329 Cb 0.43 -0.18 0.08 0.00 -0.02 0.00 0.00 41.12 41.43 3hri n ASP 329 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hri n GLY 330 N 0.92 -0.35 0.08 0.44 0.00 -0.68 -4.94 105.19 100.65 3hri n GLY 330 Ca 0.16 0.11 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 3hri n GLY 330 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hri n ASN 331 N -2.83 1.70 -4.74 1.61 3.02 -1.26 -5.07 115.26 107.69 3hri n ASN 331 Ca -0.15 -0.03 -0.24 0.00 -0.03 0.00 0.00 54.58 54.13 3hri n ASN 331 Cb 0.61 0.53 -0.07 0.00 -0.61 0.00 0.00 39.78 40.25 3hri n ASN 331 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3hri s PHE 332 N -2.36 2.64 0.94 3.10 0.40 -1.26 -5.15 117.98 116.28 3hri s PHE 332 Ca -0.12 -0.52 -0.16 0.00 -0.60 0.00 0.00 56.93 55.53 3hri s PHE 332 Cb 0.05 -1.86 0.24 0.00 0.51 0.00 0.00 43.02 41.96 3hri s PHE 332 CO 0.56 0.22 0.76 2.89 0.70 0.00 0.00 175.22 180.35 3hri n ARG 333 N -1.22 -2.93 -2.08 0.44 -4.01 -1.26 -4.77 116.66 100.83 3hri n ARG 333 Ca -0.01 -1.23 -0.41 0.00 -1.04 0.00 0.00 57.85 55.16 3hri n ARG 333 Cb 0.63 -1.24 -0.02 0.00 -3.04 0.00 0.00 32.46 28.79 3hri n ARG 333 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3hri s ALA 334 N -2.80 3.57 0.04 2.89 0.00 -1.26 -4.68 121.76 119.52 3hri s ALA 334 Ca 0.51 1.26 -0.21 0.00 0.00 0.00 0.00 51.96 53.52 3hri s ALA 334 Cb -0.06 -3.52 -0.14 0.00 0.00 0.00 0.00 23.12 19.40 3hri s ALA 334 CO 0.40 -0.67 1.42 -0.07 0.00 0.00 0.00 175.76 176.84 3hri h LEU 335 N 4.73 0.25 -8.16 0.00 4.07 -1.76 -3.47 115.31 110.98 3hri h LEU 335 Ca -0.46 -0.37 -0.03 0.00 0.08 0.00 0.00 57.88 57.09 3hri h LEU 335 Cb 1.22 -0.07 -0.08 0.00 1.08 0.00 0.00 40.66 42.81 3hri h LEU 335 CO 0.75 0.57 -0.04 0.00 -1.08 0.00 0.00 178.44 178.64 3hri s GLY 337 N -2.99 -0.42 0.00 0.00 0.00 -0.79 0.02 107.32 103.14 3hri s GLY 337 Ca 0.19 2.48 0.00 0.00 0.00 0.00 0.00 44.72 47.39 3hri s GLY 337 CO 0.08 2.16 0.00 0.61 0.00 0.00 0.00 173.10 175.94 3hri n GLY 338 N 3.40 1.71 0.00 0.20 0.00 -0.58 -1.83 105.19 108.08 3hri n GLY 338 Ca -0.17 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3hri n GLY 338 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hri n GLY 339 N 0.00 -0.63 3.25 -0.02 0.00 -0.63 0.10 105.19 107.26 3hri n GLY 339 Ca 0.00 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 3hri n GLY 339 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hri s ARG 340 N -1.02 3.14 -0.55 1.61 3.52 -0.61 -1.42 118.95 123.62 3hri s ARG 340 Ca 0.00 -0.82 0.05 0.00 -0.13 0.00 0.00 55.73 54.83 3hri s ARG 340 Cb 0.00 -2.43 0.18 0.00 -1.56 0.00 0.00 34.95 31.14 3hri s ARG 340 CO 0.00 0.14 0.44 2.48 -0.81 0.00 0.00 175.30 177.55 3hri n TYR 341 N 3.66 1.13 0.28 5.12 0.18 0.50 -0.07 117.16 127.95 3hri n TYR 341 Ca -0.19 -3.80 0.16 0.00 1.88 0.00 0.00 57.90 55.96 3hri n TYR 341 Cb 0.53 -0.19 0.91 0.00 -0.38 0.00 0.00 39.34 40.20 3hri n TYR 341 CO 0.00 0.00 0.00 -0.44 -2.08 0.00 0.00 176.86 174.34 3hri h ASP 342 N 5.36 0.00 -0.20 9.48 3.32 -1.84 0.26 116.42 132.80 3hri h ASP 342 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3hri h ASP 342 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 3hri h ASP 342 CO 0.55 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.66 3hri n ASN 343 N -3.78 1.60 0.26 6.45 3.02 -1.26 -3.92 115.26 117.63 3hri n ASN 343 Ca -0.02 -2.10 -0.16 0.00 -0.03 0.00 0.00 54.58 52.28 3hri n ASN 343 Cb 0.15 -0.29 -0.08 0.00 -0.61 0.00 0.00 39.78 38.95 3hri n ASN 343 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3hri h LEU 344 N 1.24 -0.75 -0.51 3.41 5.85 -1.22 -2.73 115.31 120.61 3hri h LEU 344 Ca 0.00 0.05 -0.16 0.00 0.84 0.00 0.00 57.88 58.61 3hri h LEU 344 Cb 0.52 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 3hri h LEU 344 CO 0.05 -0.46 -0.56 -0.07 -0.34 0.00 0.00 178.44 177.06 3hri h LEU 345 N -0.72 0.61 -1.67 2.25 3.38 -1.83 -3.07 115.31 114.26 3hri h LEU 345 Ca -0.05 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 3hri h LEU 345 Cb 0.60 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3hri h LEU 345 CO 0.04 1.04 -0.10 0.71 0.09 0.00 0.00 178.44 180.22 3hri h THR 346 N 0.42 0.32 -0.70 0.22 1.35 -1.79 -1.47 112.91 111.25 3hri h THR 346 Ca 0.00 -0.63 -0.03 0.00 -0.55 0.00 0.00 66.41 65.21 3hri h THR 346 Cb 1.11 1.47 -0.03 0.00 -1.73 0.00 0.00 68.15 68.97 3hri h THR 346 CO 0.11 0.09 0.32 0.74 -0.25 0.00 0.00 175.52 176.53 3hri h THR 347 N 0.00 1.24 -0.17 6.82 2.02 -1.38 -2.95 112.91 118.47 3hri h THR 347 Ca -0.00 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.50 3hri h THR 347 Cb 0.47 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3hri h THR 347 CO 0.01 0.28 0.00 -1.22 0.37 0.00 0.00 175.52 174.96 3hri n TYR 348 N -4.42 0.23 0.00 3.16 4.01 -0.72 -4.86 117.16 114.56 3hri n TYR 348 Ca 0.05 -0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 3hri n TYR 348 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 3hri n TYR 348 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hri n GLY 349 N 0.92 1.77 3.75 2.72 0.00 -1.10 -5.10 105.19 108.16 3hri n GLY 349 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3hri n GLY 349 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hri s SER 350 N -2.00 7.28 0.26 1.61 0.15 -0.64 -4.96 113.70 115.41 3hri s SER 350 Ca 0.00 2.22 0.16 0.00 0.70 0.00 0.00 55.95 59.04 3hri s SER 350 Cb 0.00 -2.62 0.06 0.00 -1.71 0.00 0.00 66.02 61.75 3hri s SER 350 CO 0.00 -0.15 1.36 1.55 1.20 0.00 0.00 173.24 177.20 3hri h PRO 351 N 4.11 0.00 -4.35 5.44 0.13 -1.93 -3.42 132.00 131.98 3hri h PRO 351 Ca -0.46 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.08 3hri h PRO 351 Cb 1.21 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.96 3hri h PRO 351 CO 0.68 0.41 -0.80 -0.08 -0.23 0.00 0.00 178.00 177.98 3hri s THR 352 N -2.99 1.41 0.13 1.56 -1.32 -1.26 -5.11 115.64 108.06 3hri s THR 352 Ca 0.03 -0.93 -0.31 0.00 -1.21 0.00 0.00 61.69 59.28 3hri s THR 352 Cb 0.08 -1.58 -0.08 0.00 -1.51 0.00 0.00 72.50 69.41 3hri s THR 352 CO 0.75 0.08 1.32 0.00 -2.21 0.00 0.00 174.62 174.56 3hri s ALA 353 N 1.49 3.53 -0.09 11.08 0.00 -1.26 -4.86 121.76 131.64 3hri s ALA 353 Ca -0.02 1.06 0.04 0.00 0.00 0.00 0.00 51.96 53.04 3hri s ALA 353 Cb -0.17 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.45 3hri s ALA 353 CO -0.08 -0.55 -0.23 0.08 0.00 0.00 0.00 175.76 174.99 3hri s VAL 354 N 0.76 2.21 0.52 0.00 1.01 -1.25 -5.06 120.40 118.58 3hri s VAL 354 Ca 0.61 -0.98 -0.22 0.00 0.00 0.00 0.00 61.98 61.39 3hri s VAL 354 Cb -0.35 -1.84 -0.06 0.00 0.00 0.00 0.00 36.38 34.12 3hri s VAL 354 CO 0.32 0.56 1.33 -0.81 0.00 0.00 0.00 175.10 176.50 3hri n PRO 355 N 3.39 1.74 -3.68 2.72 -0.04 -1.26 -4.68 135.00 133.19 3hri n PRO 355 Ca -0.19 0.63 -0.09 0.00 -0.04 0.00 0.00 63.50 63.82 3hri n PRO 355 Cb 0.53 -2.52 -0.09 0.00 -0.04 0.00 0.00 33.50 31.37 3hri n PRO 355 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hri s VAL 357 N 1.45 0.87 0.21 0.00 1.01 -0.89 -0.37 120.40 122.69 3hri s VAL 357 Ca -0.09 -0.44 -0.23 0.00 0.00 0.00 0.00 61.98 61.22 3hri s VAL 357 Cb -0.07 -0.75 0.04 0.00 0.00 0.00 0.00 36.38 35.60 3hri s VAL 357 CO -0.15 0.26 0.77 -0.83 0.00 0.00 0.00 175.10 175.15 3hri s GLY 358 N -0.04 -0.23 0.08 4.51 0.00 -0.51 -0.04 107.32 111.09 3hri s GLY 358 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 44.72 44.72 3hri s GLY 358 CO 0.00 -0.00 -0.02 -0.11 0.00 0.00 0.00 173.10 172.96 3hri s PHE 359 N -3.70 0.72 -0.04 1.90 -0.12 0.59 -1.60 117.98 115.74 3hri s PHE 359 Ca 0.09 -1.05 0.04 0.00 -0.05 0.00 0.00 56.93 55.97 3hri s PHE 359 Cb -0.04 -0.46 -0.03 0.00 -0.63 0.00 0.00 43.02 41.87 3hri s PHE 359 CO 0.02 -0.33 -0.15 0.20 -0.05 0.00 0.00 175.22 174.91 3hri s GLY 360 N -2.99 1.52 -0.33 1.99 0.00 -0.76 -2.23 107.32 104.52 3hri s GLY 360 Ca 0.12 -1.01 -0.00 0.00 0.00 0.00 0.00 44.72 43.83 3hri s GLY 360 CO -0.06 -0.81 0.11 -0.12 0.00 0.00 0.00 173.10 172.22 3hri s PHE 361 N -0.75 1.83 1.04 1.90 5.36 -0.24 -1.88 117.98 125.23 3hri s PHE 361 Ca 0.12 -1.87 -0.11 0.00 -0.96 0.00 0.00 56.93 54.10 3hri s PHE 361 Cb -0.11 -1.78 0.21 0.00 -0.34 0.00 0.00 43.02 41.01 3hri s PHE 361 CO 0.01 -0.87 1.09 0.20 -1.46 0.00 0.00 175.22 174.19 3hri s GLY 362 N 1.44 1.62 0.00 13.12 0.00 -1.24 -0.06 107.32 122.21 3hri s GLY 362 Ca 0.11 0.25 0.25 0.00 0.00 0.00 0.00 44.72 45.33 3hri s GLY 362 CO -0.21 0.82 1.39 2.09 0.00 0.00 0.00 173.10 177.19 3hri n ASP 363 N -4.58 2.66 -0.08 1.64 5.75 0.06 -4.64 116.55 117.37 3hri n ASP 363 Ca 0.08 -1.88 -0.07 0.00 -0.01 0.00 0.00 54.79 52.91 3hri n ASP 363 Cb 0.53 -0.03 -0.02 0.00 -1.03 0.00 0.00 41.12 40.57 3hri n ASP 363 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hri h VAL 365 N -0.87 1.14 -0.59 0.00 2.07 -1.90 -2.68 116.25 113.42 3hri h VAL 365 Ca 0.00 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 3hri h VAL 365 Cb 0.78 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 3hri h VAL 365 CO 0.00 0.20 0.26 0.40 0.02 0.00 0.00 177.57 178.45 3hri h ILE 366 N 0.00 1.22 -0.29 4.57 1.08 -1.82 -1.99 117.51 120.28 3hri h ILE 366 Ca -0.00 -0.66 -0.15 0.00 -0.39 0.00 0.00 64.86 63.66 3hri h ILE 366 Cb 0.36 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.67 3hri h ILE 366 CO 0.03 0.26 -0.42 0.58 -0.69 0.00 0.00 178.15 177.91 3hri h VAL 367 N 0.81 1.29 -0.57 1.67 2.07 -1.67 -0.40 116.25 119.45 3hri h VAL 367 Ca 0.20 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 3hri h VAL 367 Cb 0.17 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3hri h VAL 367 CO -0.02 0.51 0.31 -0.33 0.02 0.00 0.00 177.57 178.06 3hri h GLU 368 N 0.58 0.80 0.46 1.57 5.08 -1.27 -0.20 114.58 121.60 3hri h GLU 368 Ca 0.04 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3hri h GLU 368 Cb 0.96 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3hri h GLU 368 CO 0.09 0.62 -0.22 1.25 -1.00 0.00 0.00 179.01 179.75 3hri h LEU 369 N 0.77 -0.53 -1.41 1.33 5.85 -1.21 -1.49 115.31 118.62 3hri h LEU 369 Ca 0.20 -0.08 0.22 0.00 0.84 0.00 0.00 57.88 59.07 3hri h LEU 369 Cb 0.05 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 3hri h LEU 369 CO -0.03 -0.22 0.63 -0.07 -0.34 0.00 0.00 178.44 178.41 3hri h LEU 370 N -0.85 0.46 0.91 2.25 3.38 -0.93 0.31 115.31 120.84 3hri h LEU 370 Ca -0.06 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3hri h LEU 370 Cb 0.57 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.31 3hri h LEU 370 CO 0.10 0.15 -0.44 -1.13 0.09 0.00 0.00 178.44 177.22 3hri h ASN 371 N 0.44 -1.04 -0.80 -0.43 -1.24 -0.85 0.49 115.58 112.17 3hri h ASN 371 Ca 0.52 0.03 0.18 0.00 0.71 0.00 0.00 56.30 57.74 3hri h ASN 371 Cb 1.25 0.27 -0.11 0.00 0.73 0.00 0.00 38.32 40.46 3hri h ASN 371 CO -0.23 -0.70 0.27 -0.33 -1.29 0.00 0.00 177.43 175.15 3hri h GLU 372 N -1.30 0.34 -0.84 6.67 3.07 0.53 0.42 114.58 123.46 3hri h GLU 372 Ca -0.13 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.67 3hri h GLU 372 Cb 0.94 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.75 3hri h GLU 372 CO 0.21 0.22 0.05 0.36 -1.40 0.00 0.00 179.01 178.45 3hri n LYS 373 N -5.09 2.58 -4.17 2.33 -0.00 0.58 -4.91 118.16 109.48 3hri n LYS 373 Ca 0.17 -1.42 -0.33 0.00 -0.00 0.00 0.00 58.31 56.73 3hri n LYS 373 Cb 0.52 -1.80 -0.03 0.00 -0.00 0.00 0.00 35.03 33.72 3hri n LYS 373 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3hri n LYS 374 N 0.19 -2.92 -0.10 -1.58 5.02 0.15 -5.72 118.16 113.20 3hri n LYS 374 Ca 0.15 0.35 0.04 0.00 -2.02 0.00 0.00 58.31 56.83 3hri n LYS 374 Cb 0.74 -4.78 0.10 0.00 -0.02 0.00 0.00 35.03 31.07 3hri n LYS 374 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hri n LEU 375 N -4.40 2.45 -4.68 -0.35 4.77 0.17 -4.98 117.00 109.98 3hri n LEU 375 Ca -0.07 -1.70 -0.42 0.00 -0.03 0.00 0.00 56.01 53.78 3hri n LEU 375 Cb 0.57 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 3hri n LEU 375 CO 0.83 0.58 0.95 -0.76 -1.33 0.00 0.00 177.39 177.67 3hri s LEU 376 N -0.92 4.26 0.80 2.23 1.43 -1.22 -4.93 118.68 120.32 3hri s LEU 376 Ca 0.16 1.76 -0.10 0.00 -1.03 0.00 0.00 54.13 54.92 3hri s LEU 376 Cb 0.09 -3.56 0.07 0.00 0.03 0.00 0.00 46.19 42.83 3hri s LEU 376 CO 0.12 -0.59 1.10 -2.16 0.23 0.00 0.00 176.35 175.05 3hri s PRO 377 N 2.37 2.06 -0.55 1.29 0.04 -1.26 -4.99 135.00 133.96 3hri s PRO 377 Ca 0.55 1.20 -0.17 0.00 0.04 0.00 0.00 61.00 62.63 3hri s PRO 377 Cb -0.23 -1.87 0.12 0.00 0.04 0.00 0.00 34.50 32.56 3hri s PRO 377 CO 0.20 -1.79 0.54 -1.21 0.04 0.00 0.00 177.00 174.77 3hri s GLU 378 N -4.87 3.00 0.00 4.56 0.41 -1.26 -5.05 118.70 115.49 3hri s GLU 378 Ca 0.62 -1.61 0.03 0.00 -0.41 0.00 0.00 54.97 53.59 3hri s GLU 378 Cb -0.18 -4.29 -0.03 0.00 -1.78 0.00 0.00 34.13 27.85 3hri s GLU 378 CO 0.56 -1.36 -0.05 -0.51 -0.49 0.00 0.00 175.26 173.42 3hri s LEU 379 N 1.82 3.28 0.01 1.80 1.43 -1.26 -5.12 118.68 120.65 3hri s LEU 379 Ca 0.05 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3hri s LEU 379 Cb -0.29 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 3hri s LEU 379 CO 0.04 0.28 -0.03 -1.00 0.23 0.00 0.00 176.35 175.87 3hri s HIS 380 N -1.02 0.27 0.19 0.29 3.76 -1.26 -5.00 115.29 112.52 3hri s HIS 380 Ca 0.18 -0.28 -0.32 0.00 -0.15 0.00 0.00 55.06 54.49 3hri s HIS 380 Cb -0.11 -0.18 -0.11 0.00 1.11 0.00 0.00 32.58 33.28 3hri s HIS 380 CO 0.08 -0.08 1.69 -1.58 -0.85 0.00 0.00 174.74 174.00 3hri s HIS 381 N -0.74 2.91 0.00 1.40 2.46 -1.26 -4.99 115.29 115.07 3hri s HIS 381 Ca -0.07 0.40 0.02 0.00 0.47 0.00 0.00 55.06 55.88 3hri s HIS 381 Cb -0.05 -4.09 -0.01 0.00 -0.13 0.00 0.00 32.58 28.30 3hri s HIS 381 CO -0.00 -4.11 -0.07 0.08 -2.47 0.00 0.00 174.74 168.17 3hri s VAL 382 N 1.26 0.51 0.05 0.89 1.01 -1.26 -4.08 120.40 118.77 3hri s VAL 382 Ca 0.74 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.34 3hri s VAL 382 Cb -0.48 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 3hri s VAL 382 CO 0.32 0.06 -0.07 -0.69 0.00 0.00 0.00 175.10 174.73 3hri s VAL 383 N -0.33 0.48 0.13 2.92 1.01 -1.26 -4.98 120.40 118.36 3hri s VAL 383 Ca 0.01 -1.25 -0.05 0.00 0.00 0.00 0.00 61.98 60.69 3hri s VAL 383 Cb -0.04 -0.80 -0.17 0.00 0.00 0.00 0.00 36.38 35.37 3hri s VAL 383 CO -0.00 -0.53 1.32 0.44 0.00 0.00 0.00 175.10 176.33 3hri h ASP 384 N 4.16 0.57 -3.61 3.32 3.32 -1.20 -3.33 116.42 119.65 3hri h ASP 384 Ca -0.35 -0.44 -0.24 0.00 0.02 0.00 0.00 57.03 56.02 3hri h ASP 384 Cb 1.19 -0.17 -0.30 0.00 0.22 0.00 0.00 39.33 40.27 3hri h ASP 384 CO 0.47 1.23 -0.65 -1.81 -1.72 0.00 0.00 179.24 176.76 3hri s ASP 385 N -7.08 -0.05 -0.23 6.45 1.01 -0.61 -1.97 116.67 114.19 3hri s ASP 385 Ca -0.06 0.16 -0.09 0.00 0.71 0.00 0.00 52.55 53.27 3hri s ASP 385 Cb 0.09 0.10 -0.04 0.00 1.01 0.00 0.00 42.92 44.08 3hri s ASP 385 CO 0.87 -0.08 0.10 -0.22 0.21 0.00 0.00 175.17 176.05 3hri s LEU 386 N 0.59 3.78 -0.22 1.23 2.96 -0.64 -0.20 118.68 126.18 3hri s LEU 386 Ca -0.05 -0.03 -0.17 0.00 -0.22 0.00 0.00 54.13 53.67 3hri s LEU 386 Cb -0.06 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 3hri s LEU 386 CO -0.02 0.05 0.45 -0.69 -1.32 0.00 0.00 176.35 174.81 3hri s VAL 387 N 1.15 5.15 -0.24 1.68 1.01 0.31 -0.34 120.40 129.11 3hri s VAL 387 Ca 0.05 0.79 -0.05 0.00 0.00 0.00 0.00 61.98 62.78 3hri s VAL 387 Cb -0.14 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 3hri s VAL 387 CO 0.04 0.19 -0.00 -0.63 0.00 0.00 0.00 175.10 174.70 3hri s ILE 388 N 1.68 3.60 0.37 2.22 1.01 0.35 -2.62 121.20 127.81 3hri s ILE 388 Ca 0.20 -0.51 -0.26 0.00 0.00 0.00 0.00 60.65 60.09 3hri s ILE 388 Cb -0.15 -2.70 -0.09 0.00 0.01 0.00 0.00 42.46 39.53 3hri s ILE 388 CO 0.09 0.33 1.13 -2.84 0.00 0.00 0.00 174.94 173.65 3hri s PRO 389 N 1.50 4.21 0.15 2.79 0.02 -1.26 -1.00 135.00 141.40 3hri s PRO 389 Ca 0.05 1.75 -0.13 0.00 0.02 0.00 0.00 61.00 62.69 3hri s PRO 389 Cb -0.15 -2.75 0.02 0.00 0.02 0.00 0.00 34.50 31.65 3hri s PRO 389 CO -0.01 -0.16 1.63 0.35 -0.33 0.00 0.00 177.00 178.47 3hri h PHE 390 N 2.84 0.89 -3.93 6.54 3.04 -1.80 -3.46 116.94 121.06 3hri h PHE 390 Ca -0.48 -0.13 -0.24 0.00 3.98 0.00 0.00 57.97 61.10 3hri h PHE 390 Cb 1.22 -0.24 -0.06 0.00 2.56 0.00 0.00 35.95 39.43 3hri h PHE 390 CO 0.57 0.82 -0.10 0.16 -2.02 0.00 0.00 178.31 177.73 3hri s ASP 391 N -6.25 0.84 0.46 0.41 1.47 -1.26 -4.86 116.67 107.48 3hri s ASP 391 Ca -0.13 -1.47 0.16 0.00 1.18 0.00 0.00 52.55 52.30 3hri s ASP 391 Cb 0.11 0.71 1.05 0.00 -0.34 0.00 0.00 42.92 44.46 3hri s ASP 391 CO 0.81 -1.40 2.00 -0.33 0.68 0.00 0.00 175.17 176.93 3hri h GLU 392 N 2.07 0.00 0.00 2.11 4.39 -1.97 -1.59 114.58 119.59 3hri h GLU 392 Ca -0.29 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.39 3hri h GLU 392 Cb 1.24 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3hri h GLU 392 CO 0.39 0.18 -0.11 1.79 -1.16 0.00 0.00 179.01 180.09 3hri h THR 393 N 0.00 0.33 -0.31 1.13 1.35 -1.99 -0.73 112.91 112.69 3hri h THR 393 Ca -0.00 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 3hri h THR 393 Cb 0.32 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 3hri h THR 393 CO 0.02 0.11 0.00 0.23 -0.25 0.00 0.00 175.52 175.64 3hri n MET 394 N -3.32 1.74 0.33 4.72 2.81 -0.60 -4.48 117.12 118.32 3hri n MET 394 Ca -0.00 -1.12 -0.13 0.00 -1.81 0.00 0.00 57.70 54.63 3hri n MET 394 Cb 0.33 -1.25 -0.06 0.00 -0.71 0.00 0.00 33.22 31.52 3hri n MET 394 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3hri h ARG 395 N 1.81 -0.82 -1.55 0.03 2.43 -1.14 -2.30 114.38 112.84 3hri h ARG 395 Ca 0.00 0.06 0.46 0.00 -0.81 0.00 0.00 59.98 59.68 3hri h ARG 395 Cb 0.43 0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 30.09 3hri h ARG 395 CO 0.00 -0.55 1.10 -1.35 -1.51 0.00 0.00 179.97 177.67 3hri h PRO 396 N -0.97 0.03 0.20 0.20 0.11 -1.79 0.41 132.00 130.19 3hri h PRO 396 Ca -0.09 -0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.71 3hri h PRO 396 Cb 0.65 -0.01 0.02 0.00 0.11 0.00 0.00 31.00 31.78 3hri h PRO 396 CO 0.14 0.02 -1.42 0.45 -0.21 0.00 0.00 178.00 176.98 3hri h HIS 397 N 0.03 0.78 -0.87 0.65 3.86 -1.86 -2.37 115.15 115.36 3hri h HIS 397 Ca 0.77 -0.57 0.07 0.00 -1.16 0.00 0.00 60.37 59.48 3hri h HIS 397 Cb 2.95 -0.03 -0.07 0.00 1.06 0.00 0.00 27.41 31.32 3hri h HIS 397 CO -0.00 1.55 0.53 0.00 0.86 0.00 0.00 177.93 180.87 3hri h ALA 398 N 0.10 1.22 -0.73 2.45 0.00 0.33 -0.97 119.26 121.66 3hri h ALA 398 Ca -0.27 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hri h ALA 398 Cb 2.01 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.55 3hri h ALA 398 CO 0.20 0.25 0.45 -0.07 0.00 0.00 0.00 179.25 180.08 3hri h LEU 399 N 0.95 0.86 -1.24 0.00 3.38 -1.03 0.26 115.31 118.49 3hri h LEU 399 Ca 0.39 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.27 3hri h LEU 399 Cb 0.23 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3hri h LEU 399 CO -0.20 0.66 0.06 0.77 0.09 0.00 0.00 178.44 179.82 3hri h SER 400 N 0.99 0.54 -0.17 -0.43 4.64 -0.72 -1.70 113.55 116.70 3hri h SER 400 Ca 0.26 -0.09 -0.13 0.00 -0.47 0.00 0.00 61.79 61.36 3hri h SER 400 Cb -0.06 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 3hri h SER 400 CO -0.05 0.57 -0.42 0.40 -0.87 0.00 0.00 176.83 176.46 3hri h ILE 401 N 0.56 1.34 -0.84 0.95 2.04 -0.59 -2.47 117.51 118.49 3hri h ILE 401 Ca 0.13 -1.67 0.20 0.00 1.00 0.00 0.00 64.86 64.51 3hri h ILE 401 Cb 0.27 1.96 -0.12 0.00 -0.74 0.00 0.00 36.82 38.19 3hri h ILE 401 CO 0.00 0.51 0.30 0.25 0.00 0.00 0.00 178.15 179.21 3hri h LEU 402 N 0.23 0.18 0.69 1.44 5.85 -0.18 -0.56 115.31 122.96 3hri h LEU 402 Ca -0.00 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 3hri h LEU 402 Cb 1.03 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 3hri h LEU 402 CO 0.09 -0.04 -0.42 -0.09 -0.34 0.00 0.00 178.44 177.65 3hri h ARG 403 N 0.33 -1.00 -0.56 1.25 9.65 -1.10 -2.34 114.38 120.61 3hri h ARG 403 Ca 0.51 0.07 0.11 0.00 -1.10 0.00 0.00 59.98 59.57 3hri h ARG 403 Cb 0.95 0.23 -0.10 0.00 -1.39 0.00 0.00 29.97 29.66 3hri h ARG 403 CO -0.54 -0.67 -0.11 0.00 2.80 0.00 0.00 179.97 181.45 3hri h ARG 404 N -1.04 0.02 -0.02 0.20 3.08 -0.88 0.31 114.38 116.04 3hri h ARG 404 Ca -0.09 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.98 3hri h ARG 404 Cb 0.84 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.85 3hri h ARG 404 CO 0.09 0.01 -0.12 -0.07 -1.07 0.00 0.00 179.97 178.82 3hri h LEU 405 N 0.02 -0.35 -1.02 3.04 3.38 -1.13 0.70 115.31 119.95 3hri h LEU 405 Ca 0.27 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.24 3hri h LEU 405 Cb 0.42 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3hri h LEU 405 CO -0.56 -0.17 0.05 0.03 0.09 0.00 0.00 178.44 177.88 3hri h ARG 406 N -0.19 0.75 -0.40 1.13 3.08 -0.78 -1.62 114.38 116.35 3hri h ARG 406 Ca 0.05 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 3hri h ARG 406 Cb 0.26 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3hri h ARG 406 CO -0.14 0.73 0.12 -0.44 -1.07 0.00 0.00 179.97 179.17 3hri h ASP 407 N 0.71 0.52 0.00 7.04 3.32 0.04 -2.52 116.42 125.55 3hri h ASP 407 Ca 0.15 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3hri h ASP 407 Cb 0.37 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3hri h ASP 407 CO 0.01 0.51 0.00 0.00 -1.72 0.00 0.00 179.24 178.04 3hri n ALA 408 N -2.47 2.46 0.00 3.45 0.00 0.20 -4.85 120.51 119.29 3hri n ALA 408 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3hri n ALA 408 Cb 0.17 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3hri n ALA 408 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hri n GLY 409 N 0.34 1.64 3.82 0.00 0.00 -0.95 -5.04 105.19 105.00 3hri n GLY 409 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3hri n GLY 409 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hri s ARG 410 N -0.57 3.63 -0.25 1.61 0.52 -0.95 -4.99 118.95 117.95 3hri s ARG 410 Ca 0.00 1.13 -0.15 0.00 -0.52 0.00 0.00 55.73 56.19 3hri s ARG 410 Cb 0.00 -2.08 -0.04 0.00 0.52 0.00 0.00 34.95 33.35 3hri s ARG 410 CO 0.00 -0.55 0.39 -1.54 0.02 0.00 0.00 175.30 173.63 3hri s SER 411 N -2.77 6.31 0.17 0.23 1.04 -1.26 -4.01 113.70 113.41 3hri s SER 411 Ca 0.62 0.36 -0.01 0.00 0.48 0.00 0.00 55.95 57.41 3hri s SER 411 Cb -0.14 -2.22 -0.04 0.00 0.10 0.00 0.00 66.02 63.72 3hri s SER 411 CO 0.32 -0.17 0.08 0.00 0.98 0.00 0.00 173.24 174.45 3hri s ALA 412 N 1.93 1.10 0.25 5.32 0.00 -1.26 -0.84 121.76 128.27 3hri s ALA 412 Ca 0.16 -1.60 -0.12 0.00 0.00 0.00 0.00 51.96 50.40 3hri s ALA 412 Cb -0.15 1.05 -0.01 0.00 0.00 0.00 0.00 23.12 24.01 3hri s ALA 412 CO 0.09 -0.51 0.47 0.34 0.00 0.00 0.00 175.76 176.15 3hri s ASP 413 N -3.13 -0.03 -0.04 0.00 2.15 0.72 -4.94 116.67 111.40 3hri s ASP 413 Ca 0.31 -0.98 -0.10 0.00 0.43 0.00 0.00 52.55 52.21 3hri s ASP 413 Cb 0.07 0.58 0.02 0.00 -0.30 0.00 0.00 42.92 43.29 3hri s ASP 413 CO 0.07 -1.14 0.23 -0.51 -0.17 0.00 0.00 175.17 173.65 3hri s ILE 414 N -3.95 0.05 -0.06 4.11 2.07 -1.26 0.11 121.20 122.27 3hri s ILE 414 Ca 0.24 -0.38 -0.30 0.00 -1.41 0.00 0.00 60.65 58.80 3hri s ILE 414 Cb -0.00 -0.46 -0.06 0.00 0.13 0.00 0.00 42.46 42.07 3hri s ILE 414 CO 0.10 -0.21 1.71 -0.69 -1.91 0.00 0.00 174.94 173.93 3hri s VAL 415 N -0.84 3.50 -0.15 4.00 1.01 -1.08 -4.92 120.40 121.93 3hri s VAL 415 Ca -0.09 0.60 -0.18 0.00 0.00 0.00 0.00 61.98 62.31 3hri s VAL 415 Cb -0.05 -3.40 -0.16 0.00 0.00 0.00 0.00 36.38 32.77 3hri s VAL 415 CO 0.02 -0.07 0.36 -0.26 0.00 0.00 0.00 175.10 175.14 3hri h PHE 416 N 9.91 0.00 -2.46 5.22 0.04 -1.99 -3.47 116.94 124.19 3hri h PHE 416 Ca -0.40 0.00 -0.44 0.00 2.80 0.00 0.00 57.97 59.93 3hri h PHE 416 Cb 1.19 0.00 0.05 0.00 2.20 0.00 0.00 35.95 39.39 3hri h PHE 416 CO 0.90 0.76 -0.02 -0.51 -0.60 0.00 0.00 178.31 178.84 3hri s ASP 417 N -6.15 5.18 0.11 2.17 1.11 -1.26 -5.04 116.67 112.79 3hri s ASP 417 Ca -0.16 -0.06 -0.31 0.00 0.18 0.00 0.00 52.55 52.20 3hri s ASP 417 Cb 0.00 -0.77 -0.09 0.00 1.07 0.00 0.00 42.92 43.13 3hri s ASP 417 CO 0.45 -1.22 1.63 -1.59 1.18 0.00 0.00 175.17 175.62 3hri s LYS 418 N -4.80 4.20 0.06 8.23 0.00 -1.26 -5.01 119.74 121.16 3hri s LYS 418 Ca 0.58 2.35 0.03 0.00 0.00 0.00 0.00 55.97 58.93 3hri s LYS 418 Cb -0.10 -3.43 -0.03 0.00 0.00 0.00 0.00 37.83 34.28 3hri s LYS 418 CO 0.39 -0.69 -0.09 0.15 0.00 0.00 0.00 175.35 175.11 3hri s LYS 419 N 2.06 0.64 0.53 1.78 -0.14 -1.26 -5.14 119.74 118.20 3hri s LYS 419 Ca 0.73 -0.89 -0.18 0.00 -1.36 0.00 0.00 55.97 54.27 3hri s LYS 419 Cb -0.42 -0.40 -0.07 0.00 -1.68 0.00 0.00 37.83 35.26 3hri s LYS 419 CO 0.32 0.07 1.03 -1.59 -0.76 0.00 0.00 175.35 174.42 3hri s LYS 420 N -1.93 3.68 0.14 1.68 -2.85 -1.26 -4.86 119.74 114.34 3hri s LYS 420 Ca -0.05 1.22 -0.26 0.00 -1.00 0.00 0.00 55.97 55.88 3hri s LYS 420 Cb -0.08 -2.08 -0.02 0.00 -2.06 0.00 0.00 37.83 33.59 3hri s LYS 420 CO 0.00 -0.51 1.61 -0.39 0.10 0.00 0.00 175.35 176.16 3hri h VAL 421 N 1.07 0.29 -0.24 1.79 -1.51 -1.93 -0.33 116.25 115.39 3hri h VAL 421 Ca -0.48 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 64.96 3hri h VAL 421 Cb 1.21 0.29 -0.01 0.00 -2.13 0.00 0.00 31.29 30.65 3hri h VAL 421 CO 0.59 0.00 0.01 -0.37 -1.23 0.00 0.00 177.57 176.57 3hri h VAL 422 N -0.38 1.15 -0.27 7.19 -1.51 -1.98 0.18 116.25 120.62 3hri h VAL 422 Ca 0.10 -0.57 0.04 0.00 -1.23 0.00 0.00 66.70 65.04 3hri h VAL 422 Cb 0.54 0.96 -0.04 0.00 -2.13 0.00 0.00 31.29 30.62 3hri h VAL 422 CO -0.36 0.19 0.03 -0.61 -1.23 0.00 0.00 177.57 175.59 3hri h GLN 423 N 0.35 0.12 0.00 5.19 4.15 -1.72 -0.87 115.11 122.33 3hri h GLN 423 Ca 0.08 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 3hri h GLN 423 Cb 0.23 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 3hri h GLN 423 CO 0.00 0.08 -0.10 0.00 -1.93 0.00 0.00 178.83 176.89 3hri h ALA 424 N 1.21 1.65 0.00 3.38 0.00 0.95 -0.52 119.26 125.94 3hri h ALA 424 Ca 0.13 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3hri h ALA 424 Cb 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3hri h ALA 424 CO -0.19 0.12 -0.62 0.74 0.00 0.00 0.00 179.25 179.30 3hri h PHE 425 N 0.00 0.00 0.63 0.00 0.04 -0.32 -2.67 116.94 114.62 3hri h PHE 425 Ca -0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 3hri h PHE 425 Cb 0.20 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.35 3hri h PHE 425 CO 0.00 0.62 -0.30 -0.91 -0.60 0.00 0.00 178.31 177.12 3hri h ASN 426 N 0.00 -0.72 -1.02 2.17 4.21 0.12 -2.96 115.58 117.38 3hri h ASN 426 Ca -0.01 -0.02 0.29 0.00 1.21 0.00 0.00 56.30 57.77 3hri h ASN 426 Cb 1.40 0.19 -0.13 0.00 -1.12 0.00 0.00 38.32 38.65 3hri h ASN 426 CO 0.08 -0.35 0.60 0.22 -1.29 0.00 0.00 177.43 176.69 3hri h TYR 427 N -1.12 0.93 -0.36 1.19 3.20 -1.22 0.47 116.97 120.06 3hri h TYR 427 Ca -0.09 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.78 3hri h TYR 427 Cb 0.69 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3hri h TYR 427 CO 0.00 -0.04 0.08 0.00 -1.64 0.00 0.00 178.16 176.56 3hri h ALA 428 N 1.76 0.48 0.46 1.82 0.00 -1.53 -2.63 119.26 119.62 3hri h ALA 428 Ca 0.68 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 3hri h ALA 428 Cb 1.49 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3hri h ALA 428 CO -0.51 0.16 -0.22 0.22 0.00 0.00 0.00 179.25 178.91 3hri h ASP 429 N 0.44 -0.52 0.00 0.00 3.58 -0.72 0.08 116.42 119.29 3hri h ASP 429 Ca 0.11 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.49 3hri h ASP 429 Cb 0.32 0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.50 3hri h ASP 429 CO 0.00 -0.21 0.00 0.54 -2.88 0.00 0.00 179.24 176.69 3hri n ARG 430 N -5.27 0.13 0.00 0.28 3.00 0.14 -2.67 116.66 112.26 3hri n ARG 430 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.73 3hri n ARG 430 Cb 0.30 -1.44 0.00 0.00 0.00 0.00 0.00 32.46 31.31 3hri n ARG 430 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 3hri n ILE 431 N -0.94 0.00 0.00 0.55 -6.64 -1.00 -5.03 119.36 106.29 3hri n ILE 431 Ca 0.03 -0.18 0.00 0.00 -1.77 0.00 0.00 62.75 60.83 3hri n ILE 431 Cb 0.01 0.73 0.00 0.00 -1.44 0.00 0.00 39.64 38.94 3hri n ILE 431 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3hri n GLY 432 N 0.92 2.94 7.00 3.28 0.00 -1.09 -4.25 105.19 113.98 3hri n GLY 432 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3hri n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hri n ALA 433 N 0.00 0.00 0.00 4.61 0.00 0.01 -4.25 120.51 120.88 3hri n ALA 433 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hri n ALA 433 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hri n ALA 433 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hri n LEU 434 N 0.00 0.00 -3.79 0.00 4.32 -1.25 -3.93 117.00 112.34 3hri n LEU 434 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.86 3hri n LEU 434 Cb 0.00 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 41.68 3hri n LEU 434 CO 0.00 0.00 -0.10 -0.60 -1.22 0.00 0.00 177.39 175.47 3hri s ARG 435 N 0.00 0.30 -0.15 3.23 3.52 -0.83 -2.78 118.95 122.23 3hri s ARG 435 Ca 0.00 0.28 -0.02 0.00 -0.13 0.00 0.00 55.73 55.87 3hri s ARG 435 Cb 0.00 0.14 -0.02 0.00 -1.56 0.00 0.00 34.95 33.52 3hri s ARG 435 CO 0.00 -0.04 -0.09 0.00 -0.81 0.00 0.00 175.30 174.36 3hri s ALA 436 N 0.02 2.78 -0.45 6.12 0.00 -0.73 -1.62 121.76 127.86 3hri s ALA 436 Ca -0.01 -0.91 -0.08 0.00 0.00 0.00 0.00 51.96 50.96 3hri s ALA 436 Cb -0.02 -1.40 0.11 0.00 0.00 0.00 0.00 23.12 21.81 3hri s ALA 436 CO 0.01 0.13 0.30 0.08 0.00 0.00 0.00 175.76 176.28 3hri s VAL 437 N 0.53 3.97 -0.06 0.00 1.01 0.54 -1.46 120.40 124.93 3hri s VAL 437 Ca -0.06 -1.83 -0.26 0.00 0.00 0.00 0.00 61.98 59.82 3hri s VAL 437 Cb -0.15 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 3hri s VAL 437 CO 0.03 -0.74 0.84 -0.22 0.00 0.00 0.00 175.10 175.02 3hri s LEU 438 N 1.31 4.31 -0.62 3.92 0.20 0.37 -0.49 118.68 127.67 3hri s LEU 438 Ca 0.06 1.37 0.00 0.00 0.69 0.00 0.00 54.13 56.25 3hri s LEU 438 Cb -0.25 -3.31 0.16 0.00 -0.43 0.00 0.00 46.19 42.36 3hri s LEU 438 CO -0.01 -0.23 0.41 -0.69 -0.29 0.00 0.00 176.35 175.54 3hri s VAL 439 N 1.17 3.32 0.08 1.68 1.01 -0.17 -1.09 120.40 126.41 3hri s VAL 439 Ca 0.43 -3.28 0.07 0.00 0.00 0.00 0.00 61.98 59.20 3hri s VAL 439 Cb -0.19 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 3hri s VAL 439 CO 0.21 -0.88 -0.11 0.00 0.00 0.00 0.00 175.10 174.32 3hri s ALA 440 N -0.38 2.92 0.10 5.51 0.00 -1.26 -2.59 121.76 126.06 3hri s ALA 440 Ca 0.19 -1.21 -0.20 0.00 0.00 0.00 0.00 51.96 50.74 3hri s ALA 440 Cb -0.20 -0.91 -0.08 0.00 0.00 0.00 0.00 23.12 21.94 3hri s ALA 440 CO -0.04 0.63 1.67 -1.00 0.00 0.00 0.00 175.76 177.02 3hri h PRO 441 N 3.84 0.31 -0.78 0.00 0.13 -1.97 0.24 132.00 133.77 3hri h PRO 441 Ca -0.49 -0.05 0.13 0.00 -0.87 0.00 0.00 66.00 64.73 3hri h PRO 441 Cb 1.17 -0.06 -0.14 0.00 0.13 0.00 0.00 31.00 32.10 3hri h PRO 441 CO 0.52 0.33 -0.35 -0.44 -0.23 0.00 0.00 178.00 177.83 3hri h ASP 442 N 0.22 -1.24 -0.04 1.44 5.19 -1.97 0.41 116.42 120.43 3hri h ASP 442 Ca 0.07 0.26 -0.19 0.00 -0.62 0.00 0.00 57.03 56.56 3hri h ASP 442 Cb 0.12 0.65 0.01 0.00 0.18 0.00 0.00 39.33 40.29 3hri h ASP 442 CO -0.01 -0.30 -0.70 -0.33 -3.12 0.00 0.00 179.24 174.79 3hri h GLU 443 N -0.08 0.54 -0.81 3.56 3.07 -1.63 -3.15 114.58 116.08 3hri h GLU 443 Ca 0.30 -0.53 -0.00 0.00 -0.50 0.00 0.00 59.36 58.62 3hri h GLU 443 Cb 0.58 0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.58 3hri h GLU 443 CO -0.83 1.16 0.51 2.35 -1.40 0.00 0.00 179.01 180.80 3hri h TRP 444 N 0.13 1.05 -0.79 4.33 2.91 0.07 0.58 115.95 124.23 3hri h TRP 444 Ca -0.08 0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.04 3hri h TRP 444 Cb 1.37 -0.35 -0.07 0.00 -0.51 0.00 0.00 29.16 29.61 3hri h TRP 444 CO 0.12 0.68 0.45 0.00 -1.03 0.00 0.00 178.44 178.66 3hri h ALA 445 N 1.45 1.11 -0.12 2.65 0.00 -0.19 -0.16 119.26 124.00 3hri h ALA 445 Ca 0.29 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3hri h ALA 445 Cb -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3hri h ALA 445 CO -0.06 0.09 0.00 2.89 0.00 0.00 0.00 179.25 182.17 3hri n ARG 446 N -4.75 1.51 -2.87 0.00 0.00 -0.70 -4.89 116.66 104.96 3hri n ARG 446 Ca 0.12 -0.54 -0.12 0.00 -0.00 0.00 0.00 57.85 57.32 3hri n ARG 446 Cb 0.25 -1.36 0.06 0.00 -0.00 0.00 0.00 32.46 31.41 3hri n ARG 446 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hri n GLY 447 N 0.44 -0.69 3.40 2.89 0.00 -0.07 -5.05 105.19 106.10 3hri n GLY 447 Ca 0.05 0.38 -0.13 0.00 0.00 0.00 0.00 46.02 46.32 3hri n GLY 447 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hri s GLU 448 N -4.12 1.10 0.06 1.61 1.03 0.11 -4.34 118.70 114.16 3hri s GLU 448 Ca 0.35 -0.33 0.02 0.00 0.03 0.00 0.00 54.97 55.04 3hri s GLU 448 Cb -0.05 0.50 -0.03 0.00 -0.80 0.00 0.00 34.13 33.76 3hri s GLU 448 CO 0.58 -0.42 -0.08 0.14 -1.33 0.00 0.00 175.26 174.14 3hri s VAL 449 N -2.89 0.63 -0.23 1.83 -7.23 -0.04 -2.02 120.40 110.45 3hri s VAL 449 Ca -0.03 -1.27 -0.14 0.00 -1.81 0.00 0.00 61.98 58.73 3hri s VAL 449 Cb -0.00 -0.87 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 3hri s VAL 449 CO -0.05 -0.46 0.33 -0.60 -0.31 0.00 0.00 175.10 174.00 3hri s ARG 450 N -2.04 4.11 -0.22 4.82 3.52 -0.25 -1.66 118.95 127.23 3hri s ARG 450 Ca -0.05 0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.60 3hri s ARG 450 Cb -0.07 -3.56 0.03 0.00 -1.56 0.00 0.00 34.95 29.79 3hri s ARG 450 CO -0.00 -0.06 -0.13 0.08 -0.81 0.00 0.00 175.30 174.37 3hri s VAL 451 N 1.40 2.37 -0.24 7.11 1.01 -0.85 0.14 120.40 131.34 3hri s VAL 451 Ca 0.15 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 3hri s VAL 451 Cb -0.15 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.11 3hri s VAL 451 CO 0.07 0.32 -0.06 -0.54 0.00 0.00 0.00 175.10 174.89 3hri s LYS 452 N 1.27 2.93 0.26 2.72 1.02 -0.53 -3.64 119.74 123.76 3hri s LYS 452 Ca 0.01 -0.91 -0.30 0.00 0.02 0.00 0.00 55.97 54.79 3hri s LYS 452 Cb -0.16 -2.97 -0.09 0.00 -0.52 0.00 0.00 37.83 34.09 3hri s LYS 452 CO -0.08 -0.36 1.07 -1.64 -0.92 0.00 0.00 175.35 173.42 3hri s MET 453 N 1.35 4.67 -0.95 1.68 -1.94 -1.26 -1.78 119.30 121.07 3hri s MET 453 Ca 0.01 1.74 -0.01 0.00 -1.71 0.00 0.00 55.69 55.72 3hri s MET 453 Cb -0.16 -3.22 0.33 0.00 2.01 0.00 0.00 34.83 33.79 3hri s MET 453 CO -0.05 0.25 1.88 1.28 -0.01 0.00 0.00 175.02 178.37 3hri n LEU 454 N 1.42 7.35 0.04 -0.03 4.32 -1.12 -4.97 117.00 124.01 3hri n LEU 454 Ca -0.01 -5.19 -0.19 0.00 -0.02 0.00 0.00 56.01 50.60 3hri n LEU 454 Cb 0.45 -1.11 -0.13 0.00 -1.62 0.00 0.00 43.42 41.01 3hri n LEU 454 CO 0.53 1.95 0.11 0.03 -1.22 0.00 0.00 177.39 178.79 3hri h ARG 455 N 3.72 0.41 -7.39 3.23 3.08 -1.93 -3.44 114.38 112.05 3hri h ARG 455 Ca 0.54 -0.54 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 3hri h ARG 455 Cb 0.22 0.18 0.09 0.00 0.08 0.00 0.00 29.97 30.54 3hri h ARG 455 CO 1.27 1.21 0.27 0.20 -1.07 0.00 0.00 179.97 181.85 3hri s GLY 468 N -4.28 1.68 -0.30 0.04 0.00 -1.26 -5.15 107.32 98.05 3hri s GLY 468 Ca -0.13 -0.93 -0.09 0.00 0.00 0.00 0.00 44.72 43.58 3hri s GLY 468 CO 0.85 -0.47 0.64 -0.26 0.00 0.00 0.00 173.10 173.85 3hri s ILE 469 N -3.35 -0.99 0.25 0.90 -5.25 -1.24 -4.95 121.20 106.57 3hri s ILE 469 Ca 0.62 0.00 -0.30 0.00 -0.99 0.00 0.00 60.65 59.98 3hri s ILE 469 Cb -0.10 -0.99 -0.09 0.00 2.95 0.00 0.00 42.46 44.23 3hri s ILE 469 CO 0.46 0.00 1.01 -0.69 -1.79 0.00 0.00 174.94 173.93 3hri s VAL 470 N 2.89 3.85 -0.18 8.37 1.01 -1.26 -2.00 120.40 133.07 3hri s VAL 470 Ca -0.02 1.84 -0.18 0.00 0.00 0.00 0.00 61.98 63.63 3hri s VAL 470 Cb -0.12 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 32.13 3hri s VAL 470 CO -0.19 0.43 0.50 -0.76 0.00 0.00 0.00 175.10 175.08 3hri s LEU 471 N -1.21 0.09 0.12 3.92 1.43 -0.67 -4.96 118.68 117.41 3hri s LEU 471 Ca 0.43 0.97 -0.27 0.00 -1.03 0.00 0.00 54.13 54.23 3hri s LEU 471 Cb -0.28 1.72 -0.06 0.00 0.03 0.00 0.00 46.19 47.60 3hri s LEU 471 CO 0.36 -0.19 1.62 -0.65 0.23 0.00 0.00 176.35 177.72 3hri h PRO 472 N 5.25 -0.44 -0.05 1.29 0.11 -1.87 -0.08 132.00 136.20 3hri h PRO 472 Ca -0.28 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3hri h PRO 472 Cb 1.17 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3hri h PRO 472 CO 0.20 -0.29 0.00 1.33 -0.21 0.00 0.00 178.00 179.03 3hri n VAL 473 N -5.40 0.17 0.00 3.15 0.24 -1.26 -4.53 118.33 110.70 3hri n VAL 473 Ca -0.05 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 3hri n VAL 473 Cb 0.31 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.74 3hri n VAL 473 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16