#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mis s LEU 7 N 0.00 3.53 0.64 1.09 2.96 -1.26 -5.00 118.68 120.64 3mis s LEU 7 Ca 0.00 1.09 -0.14 0.00 -0.22 0.00 0.00 54.13 54.86 3mis s LEU 7 Cb 0.00 -3.50 -0.01 0.00 0.50 0.00 0.00 46.19 43.18 3mis s LEU 7 CO 0.00 -1.62 1.06 -1.10 -1.32 0.00 0.00 176.35 173.38 3mis s GLN 8 N 5.40 3.09 0.03 1.98 -1.52 -1.26 -4.82 119.66 122.56 3mis s GLN 8 Ca 0.72 1.12 -0.14 0.00 -1.95 0.00 0.00 55.36 55.11 3mis s GLN 8 Cb -0.19 -2.00 -0.07 0.00 -0.22 0.00 0.00 33.01 30.53 3mis s GLN 8 CO 0.33 -0.99 1.22 -1.35 -0.25 0.00 0.00 175.29 174.25 3mis h PRO 9 N -0.10 -0.39 -0.04 2.91 0.11 -1.99 0.14 132.00 132.65 3mis h PRO 9 Ca -0.45 0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.69 3mis h PRO 9 Cb 1.22 0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 3mis h PRO 9 CO 0.57 -0.26 0.05 1.79 -0.21 0.00 0.00 178.00 179.94 3mis h THR 10 N -0.40 0.37 -0.23 -1.15 1.35 -1.98 0.39 112.91 111.26 3mis h THR 10 Ca -0.03 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.79 3mis h THR 10 Cb 0.35 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 67.71 3mis h THR 10 CO -0.02 0.00 -0.03 -0.33 -0.25 0.00 0.00 175.52 174.89 3mis h GLU 11 N 0.00 0.42 -0.30 4.72 5.08 -1.77 -0.64 114.58 122.10 3mis h GLU 11 Ca 0.02 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 3mis h GLU 11 Cb 0.13 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3mis h GLU 11 CO -0.00 0.63 -0.24 0.00 -1.00 0.00 0.00 179.01 178.40 3mis h ALA 12 N 0.77 1.03 -0.73 3.43 0.00 0.18 -2.44 119.26 121.50 3mis h ALA 12 Ca 0.06 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 3mis h ALA 12 Cb 0.46 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3mis h ALA 12 CO 0.02 0.58 0.20 0.00 0.00 0.00 0.00 179.25 180.05 3mis h ALA 13 N 1.23 0.97 -0.01 0.00 0.00 -0.28 0.48 119.26 121.65 3mis h ALA 13 Ca 0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3mis h ALA 13 Cb 0.69 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3mis h ALA 13 CO 0.05 0.67 0.01 -0.92 0.00 0.00 0.00 179.25 179.06 3mis h TYR 14 N 1.09 0.02 -0.80 0.00 5.03 -1.02 -0.45 116.97 120.84 3mis h TYR 14 Ca 0.23 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.54 3mis h TYR 14 Cb 0.35 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.58 3mis h TYR 14 CO 0.03 0.09 0.48 0.82 -1.32 0.00 0.00 178.16 178.26 3mis h ILE 15 N -0.06 1.22 -0.66 1.81 2.04 -1.20 0.13 117.51 120.80 3mis h ILE 15 Ca 0.00 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.42 3mis h ILE 15 Cb 0.07 0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 36.22 3mis h ILE 15 CO -0.00 0.23 0.39 0.00 0.00 0.00 0.00 178.15 178.77 3mis h ALA 16 N 1.26 0.87 -0.47 1.87 0.00 -0.70 0.32 119.26 122.40 3mis h ALA 16 Ca 0.29 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3mis h ALA 16 Cb -0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3mis h ALA 16 CO -0.05 0.12 0.15 0.78 0.00 0.00 0.00 179.25 180.25 3mis h GLY 17 N 0.76 0.78 0.87 0.00 0.00 0.66 -0.33 103.07 105.81 3mis h GLY 17 Ca 0.27 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 3mis h GLY 17 CO -0.13 0.43 -0.18 -2.75 0.00 0.00 0.00 176.54 173.91 3mis h PHE 18 N 0.62 0.64 -0.69 5.60 3.57 -0.44 -2.84 116.94 123.39 3mis h PHE 18 Ca 0.15 -0.18 0.07 0.00 3.53 0.00 0.00 57.97 61.54 3mis h PHE 18 Cb 0.26 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.80 3mis h PHE 18 CO 0.01 0.84 0.37 1.25 -2.23 0.00 0.00 178.31 178.56 3mis h LEU 19 N 0.25 0.54 -2.03 0.59 5.85 -0.25 0.49 115.31 120.74 3mis h LEU 19 Ca 0.05 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3mis h LEU 19 Cb 0.71 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3mis h LEU 19 CO 0.05 0.34 0.00 0.44 -0.34 0.00 0.00 178.44 178.92 3mis h ASP 20 N 0.67 0.00 0.00 1.25 3.32 -0.91 -0.75 116.42 120.00 3mis h ASP 20 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3mis h ASP 20 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3mis h ASP 20 CO -0.21 0.00 -0.31 0.61 -1.72 0.00 0.00 179.24 177.61 3mis n GLY 21 N -1.09 -0.37 0.92 2.75 0.00 0.51 -4.75 105.19 103.16 3mis n GLY 21 Ca -0.02 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.00 3mis n GLY 21 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mis n ASP 22 N -3.21 2.72 -1.76 1.61 10.43 0.14 -4.98 116.55 121.51 3mis n ASP 22 Ca -0.04 -1.91 0.00 0.00 2.57 0.00 0.00 54.79 55.40 3mis n ASP 22 Cb 0.16 -0.25 0.00 0.00 1.84 0.00 0.00 41.12 42.88 3mis n ASP 22 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3mis n GLY 23 N 1.34 4.13 3.64 0.44 0.00 -0.29 -2.38 105.19 112.07 3mis n GLY 23 Ca 0.18 -2.17 -0.06 0.00 0.00 0.00 0.00 46.02 43.96 3mis n GLY 23 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mis s SER 24 N -0.80 -0.75 -0.25 1.61 0.15 -0.48 -4.86 113.70 108.31 3mis s SER 24 Ca 0.00 1.24 0.02 0.00 0.70 0.00 0.00 55.95 57.91 3mis s SER 24 Cb 0.00 1.30 0.05 0.00 -1.71 0.00 0.00 66.02 65.66 3mis s SER 24 CO 0.00 -0.20 -0.11 -0.63 1.20 0.00 0.00 173.24 173.50 3mis s ILE 25 N 1.31 2.25 0.15 6.45 1.01 -1.26 -1.20 121.20 129.92 3mis s ILE 25 Ca -0.08 -1.48 -0.00 0.00 0.00 0.00 0.00 60.65 59.09 3mis s ILE 25 Cb -0.05 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 3mis s ILE 25 CO -0.15 0.06 0.06 -0.72 0.00 0.00 0.00 174.94 174.19 3mis s TYR 26 N 1.15 0.98 0.01 3.97 -0.85 -0.80 -4.93 117.35 116.88 3mis s TYR 26 Ca -0.06 -1.21 0.01 0.00 -0.52 0.00 0.00 57.07 55.28 3mis s TYR 26 Cb -0.19 -0.54 -0.01 0.00 0.38 0.00 0.00 41.96 41.60 3mis s TYR 26 CO -0.06 -0.47 -0.03 0.00 -1.52 0.00 0.00 175.55 173.47 3mis s ALA 27 N -3.98 0.19 -0.02 9.51 0.00 -1.26 -2.09 121.76 124.11 3mis s ALA 27 Ca 0.26 -0.33 -0.11 0.00 0.00 0.00 0.00 51.96 51.78 3mis s ALA 27 Cb 0.07 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.24 3mis s ALA 27 CO 0.04 -0.04 0.22 -1.59 0.00 0.00 0.00 175.76 174.39 3mis s LYS 28 N -0.71 0.54 -0.51 0.00 -2.85 -0.27 -4.66 119.74 111.28 3mis s LYS 28 Ca -0.06 -0.22 -0.19 0.00 -1.00 0.00 0.00 55.97 54.49 3mis s LYS 28 Cb -0.05 0.24 0.06 0.00 -2.06 0.00 0.00 37.83 36.02 3mis s LYS 28 CO -0.00 -0.13 0.64 -1.17 0.10 0.00 0.00 175.35 174.78 3mis s LEU 29 N -1.18 4.97 -0.14 2.77 2.96 -1.26 -0.21 118.68 126.58 3mis s LEU 29 Ca -0.12 -0.93 -0.08 0.00 -0.22 0.00 0.00 54.13 52.78 3mis s LEU 29 Cb -0.06 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 3mis s LEU 29 CO 0.03 -0.91 0.14 -0.70 -1.32 0.00 0.00 176.35 173.59 3mis s GLU 30 N 2.67 3.68 0.31 1.98 2.12 -0.11 -5.00 118.70 124.34 3mis s GLU 30 Ca 0.15 -0.14 -0.27 0.00 0.36 0.00 0.00 54.97 55.07 3mis s GLU 30 Cb -0.19 -3.26 -0.10 0.00 0.26 0.00 0.00 34.13 30.84 3mis s GLU 30 CO 0.12 0.63 0.96 -2.14 -0.54 0.00 0.00 175.26 174.29 3mis s PRO 31 N -0.61 4.62 -0.43 4.30 0.02 -1.26 -0.88 135.00 140.76 3mis s PRO 31 Ca 0.13 1.41 0.02 0.00 0.02 0.00 0.00 61.00 62.58 3mis s PRO 31 Cb -0.12 -2.92 0.15 0.00 0.02 0.00 0.00 34.50 31.64 3mis s PRO 31 CO 0.02 0.30 0.28 1.03 -0.33 0.00 0.00 177.00 178.31 3mis s ARG 32 N -1.85 1.09 0.62 5.54 1.81 0.37 -4.80 118.95 121.74 3mis s ARG 32 Ca 0.48 -1.97 0.27 0.00 -1.72 0.00 0.00 55.73 52.80 3mis s ARG 32 Cb -0.21 -1.90 1.41 0.00 -0.45 0.00 0.00 34.95 33.79 3mis s ARG 32 CO 0.27 -1.25 1.81 -1.35 -0.68 0.00 0.00 175.30 174.11 3mis h PRO 33 N 6.39 0.00 0.00 3.54 0.11 -1.97 -0.88 132.00 139.19 3mis h PRO 33 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3mis h PRO 33 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3mis h PRO 33 CO 0.41 0.00 -0.69 -0.40 -0.21 0.00 0.00 178.00 177.11 3mis n ASP 34 N -3.30 0.61 -4.79 -2.05 5.75 -1.26 -4.91 116.55 106.60 3mis n ASP 34 Ca 0.05 -0.15 -0.32 0.00 -0.01 0.00 0.00 54.79 54.36 3mis n ASP 34 Cb 0.63 0.39 0.04 0.00 -1.03 0.00 0.00 41.12 41.15 3mis n ASP 34 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3mis s TYR 35 N -3.10 2.80 0.00 2.11 1.51 -0.34 -5.04 117.35 115.30 3mis s TYR 35 Ca 0.08 1.52 0.00 0.00 -1.01 0.00 0.00 57.07 57.65 3mis s TYR 35 Cb 0.15 -3.05 0.00 0.00 -0.11 0.00 0.00 41.96 38.95 3mis s TYR 35 CO 0.74 -1.46 0.05 0.36 -1.11 0.00 0.00 175.55 174.12 3mis n LYS 36 N -2.61 0.00 0.00 -0.62 0.00 -1.26 -4.72 118.16 108.95 3mis n LYS 36 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 3mis n LYS 36 Cb 0.53 -0.33 0.00 0.00 -0.00 0.00 0.00 35.03 35.23 3mis n LYS 36 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3mis n ASP 37 N -0.23 0.00 -4.55 -5.58 10.43 -1.26 -4.64 116.55 110.72 3mis n ASP 37 Ca 0.00 0.04 -0.38 0.00 2.57 0.00 0.00 54.79 57.02 3mis n ASP 37 Cb 0.00 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 42.93 3mis n ASP 37 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3mis s ILE 38 N -0.07 3.58 -0.14 0.53 1.01 -1.26 -4.86 121.20 119.99 3mis s ILE 38 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.70 3mis s ILE 38 Cb 0.00 -4.46 0.06 0.00 0.01 0.00 0.00 42.46 38.08 3mis s ILE 38 CO 0.00 -1.40 2.15 0.29 0.00 0.00 0.00 174.94 175.98 3mis n LYS 39 N 9.17 1.43 -3.67 2.79 5.02 -1.26 -4.70 118.16 126.93 3mis n LYS 39 Ca 0.19 -0.75 -0.21 0.00 -2.02 0.00 0.00 58.31 55.51 3mis n LYS 39 Cb 0.50 -1.35 -0.18 0.00 -0.02 0.00 0.00 35.03 33.99 3mis n LYS 39 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3mis s TYR 40 N -0.68 0.17 0.26 2.13 1.51 -1.26 0.14 117.35 119.61 3mis s TYR 40 Ca 0.19 0.10 -0.27 0.00 -1.01 0.00 0.00 57.07 56.08 3mis s TYR 40 Cb 0.13 -0.56 -0.09 0.00 -0.11 0.00 0.00 41.96 41.33 3mis s TYR 40 CO -0.01 -0.26 0.90 -1.14 -1.11 0.00 0.00 175.55 173.93 3mis s GLN 41 N 2.14 4.67 -0.20 -0.62 0.74 -0.06 -4.91 119.66 121.42 3mis s GLN 41 Ca 0.04 1.34 -0.18 0.00 0.05 0.00 0.00 55.36 56.61 3mis s GLN 41 Cb -0.13 -3.08 -0.03 0.00 1.10 0.00 0.00 33.01 30.87 3mis s GLN 41 CO -0.04 0.43 0.51 0.08 -0.55 0.00 0.00 175.29 175.72 3mis s VAL 42 N -1.35 5.11 -0.12 1.34 1.01 -1.26 -0.94 120.40 124.19 3mis s VAL 42 Ca 0.44 0.93 -0.07 0.00 0.00 0.00 0.00 61.98 63.28 3mis s VAL 42 Cb -0.22 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 3mis s VAL 42 CO 0.27 0.18 0.14 -0.13 0.00 0.00 0.00 175.10 175.57 3mis s ARG 43 N 1.63 3.45 0.01 2.72 1.81 0.71 -4.97 118.95 124.30 3mis s ARG 43 Ca 0.24 -0.13 0.05 0.00 -1.72 0.00 0.00 55.73 54.17 3mis s ARG 43 Cb -0.15 -3.19 -0.02 0.00 -0.45 0.00 0.00 34.95 31.14 3mis s ARG 43 CO 0.09 0.77 -0.16 -0.51 -0.68 0.00 0.00 175.30 174.82 3mis s LEU 44 N -1.02 2.09 0.10 2.53 1.43 -1.26 -1.12 118.68 121.43 3mis s LEU 44 Ca 0.15 -0.36 -0.25 0.00 -1.03 0.00 0.00 54.13 52.64 3mis s LEU 44 Cb -0.12 -0.76 0.08 0.00 0.03 0.00 0.00 46.19 45.42 3mis s LEU 44 CO 0.04 0.14 0.71 0.00 0.23 0.00 0.00 176.35 177.47 3mis s ALA 45 N -0.55 -1.68 0.18 4.21 0.00 -0.89 -2.05 121.76 120.99 3mis s ALA 45 Ca 0.05 0.69 0.10 0.00 0.00 0.00 0.00 51.96 52.79 3mis s ALA 45 Cb -0.07 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 3mis s ALA 45 CO 0.00 -0.74 -0.20 0.96 0.00 0.00 0.00 175.76 175.78 3mis s ILE 46 N -3.50 2.04 0.07 0.00 -4.36 -1.03 -1.91 121.20 112.51 3mis s ILE 46 Ca 0.02 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.33 3mis s ILE 46 Cb -0.01 -1.97 -0.00 0.00 1.25 0.00 0.00 42.46 41.72 3mis s ILE 46 CO -0.11 -0.26 0.18 -0.94 0.24 0.00 0.00 174.94 174.04 3mis s SER 47 N -2.74 0.12 -0.06 4.36 1.04 -0.34 -0.31 113.70 115.76 3mis s SER 47 Ca 0.19 -0.58 0.05 0.00 0.48 0.00 0.00 55.95 56.08 3mis s SER 47 Cb -0.06 0.31 -0.00 0.00 0.10 0.00 0.00 66.02 66.37 3mis s SER 47 CO 0.08 -0.67 -0.20 -0.36 0.98 0.00 0.00 173.24 173.07 3mis s PHE 48 N -3.45 2.05 0.15 5.02 0.40 0.12 -1.38 117.98 120.88 3mis s PHE 48 Ca 0.02 -0.66 0.10 0.00 -0.60 0.00 0.00 56.93 55.79 3mis s PHE 48 Cb 0.03 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 42.15 3mis s PHE 48 CO -0.09 -0.23 -0.20 0.42 0.70 0.00 0.00 175.22 175.82 3mis s ILE 49 N 0.08 2.66 -0.21 0.64 1.09 -1.00 -0.80 121.20 123.67 3mis s ILE 49 Ca -0.07 -1.70 -0.36 0.00 -1.10 0.00 0.00 60.65 57.42 3mis s ILE 49 Cb -0.14 -2.24 0.15 0.00 -1.06 0.00 0.00 42.46 39.17 3mis s ILE 49 CO 0.04 0.02 1.30 -1.58 -0.10 0.00 0.00 174.94 174.62 3mis s GLN 50 N -2.34 0.19 0.29 2.79 2.00 -0.43 -4.83 119.66 117.33 3mis s GLN 50 Ca 0.19 -0.08 -0.29 0.00 -2.00 0.00 0.00 55.36 53.18 3mis s GLN 50 Cb -0.10 0.08 -0.10 0.00 0.80 0.00 0.00 33.01 33.70 3mis s GLN 50 CO 0.10 -0.08 1.23 0.50 -0.50 0.00 0.00 175.29 176.54 3mis s ARG 51 N -2.25 4.47 0.27 1.67 3.52 -1.26 0.56 118.95 125.92 3mis s ARG 51 Ca 0.11 2.04 0.20 0.00 -0.13 0.00 0.00 55.73 57.94 3mis s ARG 51 Cb 0.00 -3.14 1.02 0.00 -1.56 0.00 0.00 34.95 31.27 3mis s ARG 51 CO -0.04 -0.05 1.61 0.36 -0.81 0.00 0.00 175.30 176.36 3mis n LYS 52 N 1.27 0.13 -0.01 5.12 2.85 -0.92 -0.78 118.16 125.82 3mis n LYS 52 Ca 0.01 0.58 0.09 0.00 -1.05 0.00 0.00 58.31 57.93 3mis n LYS 52 Cb 0.43 -1.89 0.49 0.00 -0.65 0.00 0.00 35.03 33.41 3mis n LYS 52 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3mis n ASP 53 N -2.17 0.18 -0.10 -5.58 5.75 -1.26 -2.85 116.55 110.52 3mis n ASP 53 Ca -0.01 -1.49 0.05 0.00 -0.01 0.00 0.00 54.79 53.33 3mis n ASP 53 Cb 0.07 -0.01 0.07 0.00 -1.03 0.00 0.00 41.12 40.22 3mis n ASP 53 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3mis n LYS 54 N -0.65 1.50 -0.32 0.11 5.02 0.04 -4.83 118.16 119.03 3mis n LYS 54 Ca 0.13 -1.90 0.20 0.00 -2.02 0.00 0.00 58.31 54.72 3mis n LYS 54 Cb 0.09 -1.14 0.40 0.00 -0.02 0.00 0.00 35.03 34.36 3mis n LYS 54 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3mis h PHE 55 N 0.00 0.74 -0.11 2.13 3.04 -1.65 0.63 116.94 121.72 3mis h PHE 55 Ca 0.00 0.04 0.03 0.00 3.98 0.00 0.00 57.97 62.02 3mis h PHE 55 Cb 0.91 -0.17 -0.00 0.00 2.56 0.00 0.00 35.95 39.25 3mis h PHE 55 CO 0.01 -0.17 0.21 -1.35 -2.02 0.00 0.00 178.31 174.99 3mis h PRO 56 N 0.31 0.00 0.00 6.41 0.11 -1.88 0.47 132.00 137.43 3mis h PRO 56 Ca 0.67 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.76 3mis h PRO 56 Cb 1.45 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.55 3mis h PRO 56 CO -0.61 0.00 -0.20 1.88 -0.21 0.00 0.00 178.00 178.85 3mis h TYR 57 N 0.00 0.00 0.03 0.65 0.05 -1.27 -0.62 116.97 115.81 3mis h TYR 57 Ca 0.05 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.83 3mis h TYR 57 Cb 0.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.21 3mis h TYR 57 CO 0.00 0.09 -0.01 -0.07 -1.05 0.00 0.00 178.16 177.12 3mis h LEU 58 N 0.00 -0.03 -0.98 3.88 3.38 -0.24 -3.02 115.31 118.30 3mis h LEU 58 Ca -0.00 -0.54 0.21 0.00 0.09 0.00 0.00 57.88 57.63 3mis h LEU 58 Cb 1.07 0.01 -0.19 0.00 0.09 0.00 0.00 40.66 41.64 3mis h LEU 58 CO 0.01 0.71 -0.20 -0.61 0.09 0.00 0.00 178.44 178.44 3mis h GLN 59 N -0.97 0.00 0.04 1.13 5.75 -0.78 0.16 115.11 120.45 3mis h GLN 59 Ca -0.00 -0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.50 3mis h GLN 59 Cb 0.57 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.10 3mis h GLN 59 CO 0.01 0.00 -0.31 -0.44 -2.65 0.00 0.00 178.83 175.44 3mis h ASP 60 N 0.00 -0.93 -0.82 -0.69 3.45 -1.19 0.16 116.42 116.40 3mis h ASP 60 Ca 0.49 0.10 0.13 0.00 0.43 0.00 0.00 57.03 58.18 3mis h ASP 60 Cb 0.79 0.35 -0.06 0.00 -0.56 0.00 0.00 39.33 39.85 3mis h ASP 60 CO -1.00 -0.31 0.54 0.40 -1.57 0.00 0.00 179.24 177.30 3mis h ILE 61 N -0.42 0.85 -0.30 0.35 2.04 -1.04 -0.06 117.51 118.95 3mis h ILE 61 Ca 0.00 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 3mis h ILE 61 Cb 0.43 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3mis h ILE 61 CO -0.18 0.11 -0.10 0.22 0.00 0.00 0.00 178.15 178.20 3mis h TYR 62 N 0.62 0.67 -0.69 1.37 3.20 -0.17 -2.00 116.97 119.97 3mis h TYR 62 Ca 0.40 -0.15 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 3mis h TYR 62 Cb 0.68 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 3mis h TYR 62 CO -0.00 0.80 0.31 -0.44 -1.64 0.00 0.00 178.16 177.19 3mis h ASP 63 N 0.35 0.90 0.79 -2.11 3.32 0.36 -0.46 116.42 119.57 3mis h ASP 63 Ca 0.07 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3mis h ASP 63 Cb 0.60 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 3mis h ASP 63 CO 0.03 0.77 -0.07 1.56 -1.72 0.00 0.00 179.24 179.82 3mis h GLN 64 N 0.98 0.00 0.00 3.56 4.20 -0.64 -2.85 115.11 120.36 3mis h GLN 64 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 3mis h GLN 64 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3mis h GLN 64 CO -0.03 0.07 -0.80 1.28 -0.67 0.00 0.00 178.83 178.69 3mis n LEU 65 N -3.25 0.64 0.00 1.46 4.77 -0.79 -4.54 117.00 115.29 3mis n LEU 65 Ca -0.00 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3mis n LEU 65 Cb 0.30 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3mis n LEU 65 CO 0.28 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3mis n GLY 66 N 1.43 1.58 2.49 -0.72 0.00 -1.08 -4.57 105.19 104.33 3mis n GLY 66 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 3mis n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mis n LYS 67 N -0.84 -1.58 -2.92 1.61 5.02 -0.22 -4.99 118.16 114.25 3mis n LYS 67 Ca 0.00 1.11 -0.40 0.00 -2.02 0.00 0.00 58.31 57.00 3mis n LYS 67 Cb 0.00 -5.63 -0.06 0.00 -0.02 0.00 0.00 35.03 29.32 3mis n LYS 67 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3mis s ARG 68 N -4.38 4.63 0.00 1.97 0.52 -1.26 -4.92 118.95 115.50 3mis s ARG 68 Ca 0.00 1.23 0.00 0.00 -0.52 0.00 0.00 55.73 56.44 3mis s ARG 68 Cb 0.00 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 32.19 3mis s ARG 68 CO 0.00 0.52 0.00 0.41 0.02 0.00 0.00 175.30 176.25 3mis n GLY 69 N 1.67 -2.05 2.79 -3.53 0.00 -1.26 -4.86 105.19 97.94 3mis n GLY 69 Ca -0.04 -2.15 -0.29 0.00 0.00 0.00 0.00 46.02 43.54 3mis n GLY 69 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mis s ASN 70 N -2.08 3.33 0.36 1.61 0.01 -0.23 -4.95 114.94 112.99 3mis s ASN 70 Ca 0.00 -1.04 -0.27 0.00 -0.71 0.00 0.00 52.86 50.84 3mis s ASN 70 Cb 0.00 -0.79 -0.09 0.00 0.41 0.00 0.00 41.25 40.78 3mis s ASN 70 CO 0.00 -0.30 1.18 -0.76 -1.51 0.00 0.00 177.10 175.71 3mis s LEU 71 N 1.70 4.32 -0.32 0.60 1.43 -1.26 -2.59 118.68 122.55 3mis s LEU 71 Ca -0.01 2.40 -0.02 0.00 -1.03 0.00 0.00 54.13 55.48 3mis s LEU 71 Cb -0.18 -3.85 0.12 0.00 0.03 0.00 0.00 46.19 42.31 3mis s LEU 71 CO -0.10 -0.52 0.16 -0.60 0.23 0.00 0.00 176.35 175.51 3mis s ARG 72 N -2.00 0.46 0.41 1.70 3.52 0.13 -4.98 118.95 118.20 3mis s ARG 72 Ca 0.52 -0.98 0.19 0.00 -0.13 0.00 0.00 55.73 55.33 3mis s ARG 72 Cb -0.33 -1.41 1.03 0.00 -1.56 0.00 0.00 34.95 32.68 3mis s ARG 72 CO 0.42 -1.09 1.52 0.87 -0.81 0.00 0.00 175.30 176.21 3mis h LYS 73 N 7.78 0.00 -0.66 5.12 1.57 -1.92 -1.46 116.57 127.00 3mis h LYS 73 Ca -0.09 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.86 3mis h LYS 73 Cb 0.99 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.09 3mis h LYS 73 CO 0.39 0.00 -0.02 0.34 -0.57 0.00 0.00 179.45 179.59 3mis s ASP 74 N -3.78 -0.84 0.54 0.86 3.68 -1.26 -4.30 116.67 111.57 3mis s ASP 74 Ca -0.02 0.57 0.22 0.00 2.13 0.00 0.00 52.55 55.45 3mis s ASP 74 Cb 0.05 1.72 1.44 0.00 -1.45 0.00 0.00 42.92 44.69 3mis s ASP 74 CO 0.17 -0.16 2.14 0.03 0.13 0.00 0.00 175.17 177.48 3mis h ARG 75 N 7.97 0.00 0.00 4.34 3.08 -1.09 -3.46 114.38 125.22 3mis h ARG 75 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3mis h ARG 75 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3mis h ARG 75 CO 0.06 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.37 3mis n GLY 76 N -1.50 1.32 2.07 0.04 0.00 -1.26 -4.97 105.19 100.88 3mis n GLY 76 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3mis n GLY 76 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mis n ASP 77 N 0.00 5.82 0.00 1.61 3.85 -1.26 -4.92 116.55 121.65 3mis n ASP 77 Ca 0.00 -3.77 0.00 0.00 -0.71 0.00 0.00 54.79 50.31 3mis n ASP 77 Cb 0.00 -0.70 0.00 0.00 -1.35 0.00 0.00 41.12 39.07 3mis n ASP 77 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3mis n GLY 78 N -0.89 0.09 3.53 6.12 0.00 -1.26 -4.97 105.19 107.81 3mis n GLY 78 Ca 0.52 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.21 3mis n GLY 78 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mis s ILE 79 N -1.20 4.05 0.21 -0.61 -1.09 -1.26 -2.18 121.20 119.13 3mis s ILE 79 Ca 0.00 -0.30 -0.04 0.00 -2.23 0.00 0.00 60.65 58.08 3mis s ILE 79 Cb 0.00 -2.78 -0.05 0.00 -1.58 0.00 0.00 42.46 38.05 3mis s ILE 79 CO 0.00 0.50 0.45 0.00 -1.23 0.00 0.00 174.94 174.65 3mis s ALA 80 N 0.26 3.74 0.18 9.38 0.00 0.19 -0.71 121.76 134.81 3mis s ALA 80 Ca -0.02 -0.63 -0.14 0.00 0.00 0.00 0.00 51.96 51.17 3mis s ALA 80 Cb -0.14 -2.16 0.01 0.00 0.00 0.00 0.00 23.12 20.84 3mis s ALA 80 CO 0.02 0.46 0.43 0.16 0.00 0.00 0.00 175.76 176.83 3mis s ASP 81 N -2.88 -0.14 -0.04 0.00 3.84 -0.55 -1.32 116.67 115.58 3mis s ASP 81 Ca 0.41 -0.63 -0.01 0.00 -0.00 0.00 0.00 52.55 52.32 3mis s ASP 81 Cb -0.11 0.52 0.03 0.00 -1.38 0.00 0.00 42.92 41.98 3mis s ASP 81 CO 0.27 -0.99 0.04 -0.47 -0.00 0.00 0.00 175.17 174.03 3mis s TYR 82 N -3.91 0.16 -0.05 2.11 5.04 0.02 0.20 117.35 120.92 3mis s TYR 82 Ca 0.12 0.16 0.02 0.00 -2.44 0.00 0.00 57.07 54.93 3mis s TYR 82 Cb 0.01 -0.48 0.01 0.00 0.35 0.00 0.00 41.96 41.85 3mis s TYR 82 CO -0.02 -0.19 -0.11 0.99 -1.34 0.00 0.00 175.55 174.89 3mis s THR 83 N 1.87 1.01 -0.34 4.34 2.01 -1.07 0.11 115.64 123.57 3mis s THR 83 Ca 0.02 -0.42 -0.03 0.00 0.31 0.00 0.00 61.69 61.56 3mis s THR 83 Cb -0.12 -0.92 0.07 0.00 0.01 0.00 0.00 72.50 71.53 3mis s THR 83 CO -0.03 0.32 0.09 -0.63 -0.69 0.00 0.00 174.62 173.68 3mis s ILE 84 N 0.57 3.28 0.19 1.82 1.01 0.57 -1.06 121.20 127.58 3mis s ILE 84 Ca -0.11 -1.52 -0.12 0.00 0.00 0.00 0.00 60.65 58.90 3mis s ILE 84 Cb -0.14 -2.99 -0.07 0.00 0.01 0.00 0.00 42.46 39.27 3mis s ILE 84 CO 0.03 -0.30 0.54 -0.31 0.00 0.00 0.00 174.94 174.90 3mis s TYR 85 N 1.26 3.50 0.00 3.97 2.02 -1.26 -2.46 117.35 124.38 3mis s TYR 85 Ca -0.00 0.95 0.00 0.00 -0.37 0.00 0.00 57.07 57.65 3mis s TYR 85 Cb -0.21 -2.30 0.00 0.00 -0.40 0.00 0.00 41.96 39.05 3mis s TYR 85 CO -0.01 0.34 0.00 0.41 -1.57 0.00 0.00 175.55 174.72 3mis n GLY 86 N 0.29 0.48 0.48 0.71 0.00 -0.87 -4.41 105.19 101.87 3mis n GLY 86 Ca -0.02 -1.49 0.30 0.00 0.00 0.00 0.00 46.02 44.82 3mis n GLY 86 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mis h SER 87 N 0.00 0.14 0.10 1.61 4.64 -1.96 -1.63 113.55 116.44 3mis h SER 87 Ca 0.00 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3mis h SER 87 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3mis h SER 87 CO 0.00 0.02 -0.05 0.74 -0.87 0.00 0.00 176.83 176.68 3mis h THR 88 N 0.12 1.11 -0.29 2.95 2.02 -1.99 0.69 112.91 117.52 3mis h THR 88 Ca 0.55 -0.86 -0.11 0.00 0.77 0.00 0.00 66.41 66.76 3mis h THR 88 Cb 1.95 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 70.01 3mis h THR 88 CO -0.10 0.21 -0.24 0.45 0.37 0.00 0.00 175.52 176.21 3mis h HIS 89 N -0.54 0.81 -0.34 3.16 -0.00 -1.69 -3.20 115.15 113.35 3mis h HIS 89 Ca -0.01 -0.23 -0.17 0.00 -0.00 0.00 0.00 60.37 59.96 3mis h HIS 89 Cb 0.44 -0.17 -0.00 0.00 -0.00 0.00 0.00 27.41 27.67 3mis h HIS 89 CO 0.06 0.96 -0.44 -0.07 -0.00 0.00 0.00 177.93 178.43 3mis h LEU 90 N 0.42 0.95 -2.33 2.43 4.07 -1.22 0.22 115.31 119.84 3mis h LEU 90 Ca 0.05 -0.46 -0.01 0.00 0.08 0.00 0.00 57.88 57.55 3mis h LEU 90 Cb 0.80 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 42.27 3mis h LEU 90 CO 0.06 1.25 -0.04 0.77 -1.08 0.00 0.00 178.44 179.40 3mis h SER 91 N 0.70 0.00 0.14 -0.43 4.64 0.33 0.11 113.55 119.05 3mis h SER 91 Ca 0.04 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.06 3mis h SER 91 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3mis h SER 91 CO 0.10 0.04 -1.56 0.40 -0.87 0.00 0.00 176.83 174.95 3mis h ILE 92 N 0.00 0.98 0.06 0.95 2.04 -1.32 -3.41 117.51 116.82 3mis h ILE 92 Ca -0.00 -2.44 -0.16 0.00 1.00 0.00 0.00 64.86 63.26 3mis h ILE 92 Cb 0.15 2.73 -0.00 0.00 -0.74 0.00 0.00 36.82 38.96 3mis h ILE 92 CO 0.01 0.77 -0.79 0.40 0.00 0.00 0.00 178.15 178.54 3mis h ILE 93 N -0.13 1.36 -0.43 -0.67 2.04 -0.04 -3.38 117.51 116.26 3mis h ILE 93 Ca -0.32 -2.37 0.08 0.00 1.00 0.00 0.00 64.86 63.25 3mis h ILE 93 Cb 1.90 2.94 -0.08 0.00 -0.74 0.00 0.00 36.82 40.85 3mis h ILE 93 CO 0.11 0.60 -0.06 -0.07 0.00 0.00 0.00 178.15 178.72 3mis h LEU 94 N -0.69 -0.30 -1.51 1.44 3.38 -1.02 -1.97 115.31 114.64 3mis h LEU 94 Ca -0.18 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.01 3mis h LEU 94 Cb 1.39 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 42.32 3mis h LEU 94 CO 0.00 -0.10 0.47 -0.65 0.09 0.00 0.00 178.44 178.25 3mis h PRO 95 N 0.04 0.53 -0.07 1.13 0.11 -1.76 0.56 132.00 132.54 3mis h PRO 95 Ca 0.21 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.23 3mis h PRO 95 Cb 0.31 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 3mis h PRO 95 CO -0.40 0.35 -0.22 -0.44 -0.21 0.00 0.00 178.00 177.08 3mis h ASP 96 N 0.54 0.12 0.28 -2.05 3.32 -1.55 -3.28 116.42 113.81 3mis h ASP 96 Ca 0.33 -0.03 -0.33 0.00 0.02 0.00 0.00 57.03 57.02 3mis h ASP 96 Cb 0.55 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.01 3mis h ASP 96 CO -0.11 0.34 -1.99 0.18 -1.72 0.00 0.00 179.24 175.94 3mis n LEU 97 N -4.23 0.71 -0.28 1.55 4.77 0.16 -4.44 117.00 115.24 3mis n LEU 97 Ca -0.02 0.24 0.08 0.00 -0.03 0.00 0.00 56.01 56.28 3mis n LEU 97 Cb 0.31 0.19 0.23 0.00 -2.33 0.00 0.00 43.42 41.82 3mis n LEU 97 CO 0.38 0.47 1.03 0.58 -1.33 0.00 0.00 177.39 178.52 3mis h VAL 98 N 0.00 0.60 0.00 4.08 2.07 -0.56 -0.44 116.25 122.01 3mis h VAL 98 Ca -0.40 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 3mis h VAL 98 Cb 2.10 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 3mis h VAL 98 CO 0.06 0.08 -0.08 -0.65 0.02 0.00 0.00 177.57 177.00 3mis h PRO 99 N 0.45 0.00 -0.17 1.57 0.11 -1.78 -2.75 132.00 129.43 3mis h PRO 99 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 3mis h PRO 99 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3mis h PRO 99 CO -0.44 0.08 0.00 0.66 -0.21 0.00 0.00 178.00 178.08 3mis n TYR 100 N -3.39 0.22 -2.98 0.65 0.53 -0.26 -4.97 117.16 106.96 3mis n TYR 100 Ca -0.01 -0.20 -0.37 0.00 -1.02 0.00 0.00 57.90 56.29 3mis n TYR 100 Cb 0.24 -0.01 -0.06 0.00 -1.03 0.00 0.00 39.34 38.48 3mis n TYR 100 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 3mis s LEU 101 N -1.04 4.43 0.03 7.72 1.43 -0.68 -4.47 118.68 126.10 3mis s LEU 101 Ca 0.20 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 54.90 3mis s LEU 101 Cb 0.12 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.75 3mis s LEU 101 CO 0.17 0.07 0.00 0.54 0.23 0.00 0.00 176.35 177.36 3mis n ARG 102 N 0.98 0.00 -0.26 1.70 1.74 -1.26 -4.52 116.66 115.04 3mis n ARG 102 Ca -0.02 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.99 3mis n ARG 102 Cb 0.50 -0.15 0.05 0.00 -1.02 0.00 0.00 32.46 31.83 3mis n ARG 102 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3mis h ILE 103 N 0.00 1.25 -0.44 0.55 2.04 -1.93 -3.14 117.51 115.84 3mis h ILE 103 Ca 0.00 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3mis h ILE 103 Cb 0.00 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3mis h ILE 103 CO 0.00 0.33 0.00 0.29 0.00 0.00 0.00 178.15 178.77 3mis n LYS 104 N -4.33 3.16 -0.25 2.37 5.02 -1.26 -4.63 118.16 118.25 3mis n LYS 104 Ca 0.05 -2.55 -0.02 0.00 -2.02 0.00 0.00 58.31 53.77 3mis n LYS 104 Cb 0.20 -1.63 0.09 0.00 -0.02 0.00 0.00 35.03 33.67 3mis n LYS 104 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3mis h LYS 105 N 2.74 0.77 0.04 1.97 3.64 -1.78 -0.99 116.57 122.96 3mis h LYS 105 Ca 0.00 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3mis h LYS 105 Cb 1.16 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 3mis h LYS 105 CO 0.13 0.51 -0.09 0.87 -2.27 0.00 0.00 179.45 178.60 3mis h LYS 106 N 0.79 -0.16 -0.76 1.90 1.57 -1.83 -1.38 116.57 116.70 3mis h LYS 106 Ca 0.30 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 59.26 3mis h LYS 106 Cb 0.11 0.04 -0.11 0.00 0.08 0.00 0.00 32.23 32.35 3mis h LYS 106 CO -0.15 -0.11 0.21 1.96 -0.57 0.00 0.00 179.45 180.79 3mis h GLN 107 N -0.17 0.28 -0.69 3.15 7.50 -1.73 0.82 115.11 124.28 3mis h GLN 107 Ca 0.02 -0.02 -0.06 0.00 0.50 0.00 0.00 58.65 59.09 3mis h GLN 107 Cb 0.19 -0.06 -0.03 0.00 0.05 0.00 0.00 27.48 27.63 3mis h GLN 107 CO -0.06 0.18 0.18 0.00 -1.50 0.00 0.00 178.83 177.64 3mis h ALA 108 N 1.63 1.01 -0.22 3.87 0.00 -0.50 -0.85 119.26 124.21 3mis h ALA 108 Ca 0.44 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.92 3mis h ALA 108 Cb 0.76 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3mis h ALA 108 CO -0.52 0.65 -0.61 -0.91 0.00 0.00 0.00 179.25 177.86 3mis h ASN 109 N 1.04 0.84 -0.89 0.00 -0.26 -0.17 -2.44 115.58 113.70 3mis h ASN 109 Ca 0.22 -0.48 0.02 0.00 -0.56 0.00 0.00 56.30 55.50 3mis h ASN 109 Cb 0.34 -0.24 -0.05 0.00 -1.06 0.00 0.00 38.32 37.31 3mis h ASN 109 CO -0.00 1.26 0.58 0.03 -1.06 0.00 0.00 177.43 178.24 3mis h ARG 110 N 0.55 1.13 -0.79 0.81 2.47 -0.60 0.24 114.38 118.19 3mis h ARG 110 Ca -0.01 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.64 3mis h ARG 110 Cb 1.21 -0.25 -0.04 0.00 -1.65 0.00 0.00 29.97 29.24 3mis h ARG 110 CO 0.13 0.74 0.46 0.82 0.56 0.00 0.00 179.97 182.69 3mis h ILE 111 N 1.16 1.23 -0.54 2.04 1.08 -0.89 0.40 117.51 121.99 3mis h ILE 111 Ca 0.34 -0.52 -0.10 0.00 -0.39 0.00 0.00 64.86 64.20 3mis h ILE 111 Cb -0.06 0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 33.81 3mis h ILE 111 CO -0.10 0.24 -0.05 -0.07 -0.69 0.00 0.00 178.15 177.48 3mis h LEU 112 N 1.09 0.98 -0.62 1.44 4.07 -0.91 0.66 115.31 122.02 3mis h LEU 112 Ca 0.28 -0.33 0.02 0.00 0.08 0.00 0.00 57.88 57.93 3mis h LEU 112 Cb -0.02 -0.26 -0.04 0.00 1.08 0.00 0.00 40.66 41.42 3mis h LEU 112 CO -0.05 1.07 0.39 -0.74 -1.08 0.00 0.00 178.44 178.03 3mis h HIS 113 N 0.86 0.73 -0.18 1.13 2.76 -0.29 0.72 115.15 120.88 3mis h HIS 113 Ca 0.15 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 3mis h HIS 113 Cb 0.60 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 3mis h HIS 113 CO 0.04 0.43 0.06 0.82 -1.30 0.00 0.00 177.93 177.99 3mis h ILE 114 N 0.78 1.18 -0.08 6.26 2.04 -0.44 -2.15 117.51 125.09 3mis h ILE 114 Ca 0.24 -0.54 0.02 0.00 1.00 0.00 0.00 64.86 65.59 3mis h ILE 114 Cb -0.02 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3mis h ILE 114 CO -0.09 0.17 0.06 0.40 0.00 0.00 0.00 178.15 178.70 3mis h ILE 115 N 0.13 0.86 -0.08 -0.67 2.04 -0.29 0.31 117.51 119.79 3mis h ILE 115 Ca 0.06 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.78 3mis h ILE 115 Cb 0.21 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3mis h ILE 115 CO -0.00 0.00 -0.58 0.78 0.00 0.00 0.00 178.15 178.35 3mis h ASN 116 N 0.00 0.30 0.04 1.72 2.35 -0.23 -3.23 115.58 116.51 3mis h ASN 116 Ca 0.04 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 3mis h ASN 116 Cb 0.17 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3mis h ASN 116 CO -0.00 0.81 -1.01 0.18 -1.65 0.00 0.00 177.43 175.76 3mis n LEU 117 N -3.90 0.93 0.03 1.61 4.77 -0.80 -4.63 117.00 115.01 3mis n LEU 117 Ca -0.02 -0.44 -0.13 0.00 -0.03 0.00 0.00 56.01 55.38 3mis n LEU 117 Cb 0.60 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.61 3mis n LEU 117 CO 0.44 0.23 0.59 0.22 -1.33 0.00 0.00 177.39 177.54 3mis h TYR 118 N 0.00 -1.19 -0.64 -1.77 3.20 -0.98 -1.93 116.97 113.67 3mis h TYR 118 Ca 0.00 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.97 3mis h TYR 118 Cb 0.52 0.53 -0.09 0.00 1.54 0.00 0.00 36.73 39.23 3mis h TYR 118 CO 0.00 -0.49 -0.47 -1.35 -1.64 0.00 0.00 178.16 174.22 3mis h PRO 119 N -0.54 -0.11 0.00 1.82 0.11 -1.82 -1.15 132.00 130.32 3mis h PRO 119 Ca 0.06 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 3mis h PRO 119 Cb 0.64 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 3mis h PRO 119 CO -0.35 -0.07 -0.19 1.96 -0.21 0.00 0.00 178.00 179.14 3mis h GLN 120 N -0.12 0.00 0.00 1.05 1.08 -1.89 -3.08 115.11 112.16 3mis h GLN 120 Ca 0.10 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.23 3mis h GLN 120 Cb 0.38 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 3mis h GLN 120 CO -0.66 0.19 -0.35 0.00 -0.95 0.00 0.00 178.83 177.06 3mis h ALA 121 N 1.81 1.01 -0.42 3.87 0.00 -0.42 -3.32 119.26 121.79 3mis h ALA 121 Ca -0.00 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.63 3mis h ALA 121 Cb 0.89 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 3mis h ALA 121 CO 0.02 0.44 -0.43 0.37 0.00 0.00 0.00 179.25 179.66 3mis h GLN 122 N 0.00 -0.22 -0.48 0.00 5.75 -1.19 -2.67 115.11 116.30 3mis h GLN 122 Ca -0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3mis h GLN 122 Cb 0.87 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.47 3mis h GLN 122 CO 0.05 -0.15 0.00 1.63 -2.65 0.00 0.00 178.83 177.71 3mis n LYS 123 N -4.71 3.27 -3.69 1.69 4.01 -1.26 -4.79 118.16 112.68 3mis n LYS 123 Ca -0.02 -2.63 -0.38 0.00 -0.51 0.00 0.00 58.31 54.78 3mis n LYS 123 Cb 0.24 -1.69 -0.10 0.00 -0.51 0.00 0.00 35.03 32.97 3mis n LYS 123 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 3mis s ASN 124 N -1.16 5.43 0.47 4.39 3.84 -1.01 -4.96 114.94 121.94 3mis s ASN 124 Ca 0.41 -2.00 0.22 0.00 0.21 0.00 0.00 52.86 51.70 3mis s ASN 124 Cb 0.27 -1.90 1.23 0.00 -0.55 0.00 0.00 41.25 40.30 3mis s ASN 124 CO 0.19 -0.60 1.89 -0.65 -2.79 0.00 0.00 177.10 175.14 3mis h PRO 125 N 8.18 0.23 0.16 0.43 0.11 -1.87 0.56 132.00 139.81 3mis h PRO 125 Ca -0.16 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.93 3mis h PRO 125 Cb 1.06 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3mis h PRO 125 CO 0.76 0.15 -0.08 1.03 -0.21 0.00 0.00 178.00 179.66 3mis h SER 126 N 0.24 -0.18 1.24 -2.05 0.87 -1.92 -2.87 113.55 108.88 3mis h SER 126 Ca 0.42 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3mis h SER 126 Cb 1.26 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 3mis h SER 126 CO -0.10 0.26 0.00 0.11 -0.53 0.00 0.00 176.83 176.57 3mis h LYS 127 N -0.67 0.00 -0.03 2.24 1.57 -1.54 -1.47 116.57 116.67 3mis h LYS 127 Ca -0.02 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 3mis h LYS 127 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3mis h LYS 127 CO 0.04 0.00 -0.73 0.35 -0.57 0.00 0.00 179.45 178.53 3mis h PHE 128 N 0.00 0.23 -0.13 -1.35 3.57 0.00 -2.63 116.94 116.64 3mis h PHE 128 Ca 0.00 -0.11 -0.12 0.00 3.53 0.00 0.00 57.97 61.28 3mis h PHE 128 Cb 0.62 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 3mis h PHE 128 CO 0.00 0.84 -0.43 -0.07 -2.23 0.00 0.00 178.31 176.42 3mis h LEU 129 N 0.11 0.32 -0.16 0.59 3.38 -1.03 0.28 115.31 118.81 3mis h LEU 129 Ca -0.02 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3mis h LEU 129 Cb 1.30 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3mis h LEU 129 CO 0.11 0.71 -0.01 0.44 0.09 0.00 0.00 178.44 179.78 3mis h ASP 130 N 0.25 0.28 -0.12 -0.43 3.32 -1.54 -1.91 116.42 116.26 3mis h ASP 130 Ca 0.02 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 3mis h ASP 130 Cb 0.86 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 3mis h ASP 130 CO 0.07 0.54 0.02 0.25 -1.72 0.00 0.00 179.24 178.39 3mis h LEU 131 N 0.01 0.27 -0.95 1.55 6.46 -1.22 -1.10 115.31 120.32 3mis h LEU 131 Ca 0.04 -0.03 -0.10 0.00 -0.12 0.00 0.00 57.88 57.67 3mis h LEU 131 Cb 0.40 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 3mis h LEU 131 CO 0.01 0.31 -0.47 0.58 -0.62 0.00 0.00 178.44 178.25 3mis h VAL 132 N 0.30 1.18 -0.35 1.05 2.07 -0.21 -2.97 116.25 117.31 3mis h VAL 132 Ca 0.07 -1.70 -0.11 0.00 0.82 0.00 0.00 66.70 65.78 3mis h VAL 132 Cb 0.18 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3mis h VAL 132 CO 0.00 0.46 -0.22 0.50 0.02 0.00 0.00 177.57 178.33 3mis h LYS 133 N 0.00 0.68 0.00 1.57 3.64 -0.39 -2.01 116.57 120.06 3mis h LYS 133 Ca -0.00 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.08 3mis h LYS 133 Cb 0.92 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.70 3mis h LYS 133 CO 0.06 0.84 -0.16 0.82 -2.27 0.00 0.00 179.45 178.74 3mis h ILE 134 N 0.60 0.43 -0.31 2.00 2.04 -1.35 -1.07 117.51 119.85 3mis h ILE 134 Ca 0.09 -0.91 -0.17 0.00 1.00 0.00 0.00 64.86 64.87 3mis h ILE 134 Cb 0.70 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 38.43 3mis h ILE 134 CO 0.05 0.16 -0.48 0.58 0.00 0.00 0.00 178.15 178.46 3mis h VAL 135 N 0.00 1.28 -0.05 1.67 2.07 -1.29 -2.28 116.25 117.66 3mis h VAL 135 Ca -0.00 -1.66 -0.04 0.00 0.82 0.00 0.00 66.70 65.82 3mis h VAL 135 Cb 0.64 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3mis h VAL 135 CO 0.02 0.54 -0.16 0.44 0.02 0.00 0.00 177.57 178.43 3mis h ASP 136 N 0.67 0.07 0.01 0.57 3.32 -0.84 -2.69 116.42 117.54 3mis h ASP 136 Ca 0.03 -0.01 -0.25 0.00 0.02 0.00 0.00 57.03 56.82 3mis h ASP 136 Cb 1.07 -0.02 0.02 0.00 0.22 0.00 0.00 39.33 40.62 3mis h ASP 136 CO 0.11 0.24 -0.95 -0.78 -1.72 0.00 0.00 179.24 176.14 3mis h ASP 137 N 0.07 0.86 0.05 6.45 -0.00 -0.86 -1.70 116.42 121.30 3mis h ASP 137 Ca 0.01 -0.65 -0.00 0.00 -0.00 0.00 0.00 57.03 56.39 3mis h ASP 137 Cb 0.33 -0.26 0.00 0.00 -0.00 0.00 0.00 39.33 39.40 3mis h ASP 137 CO 0.02 1.45 -0.03 0.58 -0.00 0.00 0.00 179.24 181.27 3mis h VAL 138 N 0.41 1.28 -0.88 2.25 2.07 -1.35 -0.88 116.25 119.14 3mis h VAL 138 Ca -0.10 -1.21 0.12 0.00 0.82 0.00 0.00 66.70 66.33 3mis h VAL 138 Cb 1.59 2.06 -0.07 0.00 -1.52 0.00 0.00 31.29 33.35 3mis h VAL 138 CO 0.19 0.30 0.57 1.56 0.02 0.00 0.00 177.57 180.20 3mis h GLN 139 N -0.62 0.75 -0.56 1.57 4.20 -1.56 0.46 115.11 119.35 3mis h GLN 139 Ca -0.01 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3mis h GLN 139 Cb 0.54 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 3mis h GLN 139 CO 0.01 0.50 0.33 -0.91 -0.67 0.00 0.00 178.83 178.09 3mis h ASN 140 N 0.78 0.68 -0.94 1.46 -0.26 -1.20 -2.71 115.58 113.39 3mis h ASN 140 Ca 0.43 -0.07 0.02 0.00 -0.56 0.00 0.00 56.30 56.13 3mis h ASN 140 Cb 0.57 -0.17 -0.05 0.00 -1.06 0.00 0.00 38.32 37.61 3mis h ASN 140 CO -0.19 0.54 0.61 -0.07 -1.06 0.00 0.00 177.43 177.27 3mis h LEU 141 N 0.75 1.04 -2.36 1.61 3.38 0.52 -2.59 115.31 117.68 3mis h LEU 141 Ca 0.20 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3mis h LEU 141 Cb -0.00 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3mis h LEU 141 CO -0.04 0.73 0.00 0.59 0.09 0.00 0.00 178.44 179.81 3mis n ASN 142 N -4.47 3.69 -4.04 -0.43 3.02 -0.58 -4.81 115.26 107.64 3mis n ASN 142 Ca 0.12 -2.08 -0.10 0.00 -0.03 0.00 0.00 54.58 52.49 3mis n ASN 142 Cb 0.06 -0.69 -0.11 0.00 -0.61 0.00 0.00 39.78 38.43 3mis n ASN 142 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3mis s LYS 143 N 0.04 0.48 0.71 3.52 1.02 -0.98 -5.03 119.74 119.51 3mis s LYS 143 Ca 0.00 -0.84 -0.15 0.00 0.02 0.00 0.00 55.97 55.01 3mis s LYS 143 Cb 0.00 -0.01 0.03 0.00 -0.52 0.00 0.00 37.83 37.33 3mis s LYS 143 CO 0.00 -0.03 1.16 1.03 -0.92 0.00 0.00 175.35 176.59 3mis s ARG 144 N -2.18 2.35 0.00 1.68 0.52 -1.26 -4.88 118.95 115.18 3mis s ARG 144 Ca -0.07 1.59 0.00 0.00 -0.52 0.00 0.00 55.73 56.73 3mis s ARG 144 Cb -0.05 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.54 3mis s ARG 144 CO -0.03 -1.63 0.63 0.00 0.02 0.00 0.00 175.30 174.29 3mis n ALA 145 N -2.67 2.45 -0.64 2.13 0.00 -1.26 -3.22 120.51 117.30 3mis n ALA 145 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3mis n ALA 145 Cb 0.51 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.96 3mis n ALA 145 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3mis n ASP 146 N 0.17 0.51 -4.97 0.00 5.75 -1.26 -5.06 116.55 111.68 3mis n ASP 146 Ca 0.00 -1.15 -0.21 0.00 -0.01 0.00 0.00 54.79 53.43 3mis n ASP 146 Cb 0.31 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.40 3mis n ASP 146 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3mis s GLU 147 N -0.15 3.26 0.14 0.11 2.02 -1.20 -5.05 118.70 117.83 3mis s GLU 147 Ca 0.00 -0.79 -0.35 0.00 0.02 0.00 0.00 54.97 53.85 3mis s GLU 147 Cb 0.00 -2.80 -0.15 0.00 0.10 0.00 0.00 34.13 31.28 3mis s GLU 147 CO 0.00 0.16 1.43 1.28 0.02 0.00 0.00 175.26 178.15 3mis n LEU 148 N -1.63 2.38 -4.84 1.80 4.32 -1.26 -4.96 117.00 112.81 3mis n LEU 148 Ca -0.03 1.11 -0.33 0.00 -0.02 0.00 0.00 56.01 56.74 3mis n LEU 148 Cb 0.57 -1.31 -0.06 0.00 -1.62 0.00 0.00 43.42 41.00 3mis n LEU 148 CO 0.44 -0.70 0.47 -0.54 -1.22 0.00 0.00 177.39 175.84 3mis s LYS 149 N 0.50 4.06 0.86 3.23 1.02 -1.26 -5.05 119.74 123.11 3mis s LYS 149 Ca 0.80 0.78 -0.11 0.00 0.02 0.00 0.00 55.97 57.45 3mis s LYS 149 Cb -0.80 -2.40 0.12 0.00 -0.52 0.00 0.00 37.83 34.23 3mis s LYS 149 CO 0.44 0.13 1.15 -1.12 -0.92 0.00 0.00 175.35 175.03 3mis s SER 150 N -2.22 3.33 -0.42 2.83 0.01 -1.26 -5.00 113.70 110.96 3mis s SER 150 Ca 0.55 2.18 0.06 0.00 1.31 0.00 0.00 55.95 60.05 3mis s SER 150 Cb -0.10 -2.57 0.32 0.00 0.21 0.00 0.00 66.02 63.88 3mis s SER 150 CO 0.17 -2.83 1.20 1.07 0.41 0.00 0.00 173.24 173.26 3mis n THR 151 N -3.89 0.00 0.30 1.44 5.66 -1.26 -4.93 114.28 111.60 3mis n THR 151 Ca 0.12 -1.32 0.16 0.00 -3.05 0.00 0.00 64.05 59.95 3mis n THR 151 Cb 0.52 1.33 0.72 0.00 -1.55 0.00 0.00 70.33 71.35 3mis n THR 151 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 3mis h ASN 152 N 2.66 0.00 0.14 1.09 2.35 -1.95 -2.76 115.58 117.11 3mis h ASN 152 Ca -0.18 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 3mis h ASN 152 Cb 1.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.52 3mis h ASN 152 CO 0.07 0.00 -0.07 0.22 -1.65 0.00 0.00 177.43 176.00 3mis h TYR 153 N 0.00 -0.18 -0.35 1.19 3.20 -1.92 -2.15 116.97 116.76 3mis h TYR 153 Ca 0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 3mis h TYR 153 Cb 0.27 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 3mis h TYR 153 CO 0.00 0.23 0.13 -0.44 -1.64 0.00 0.00 178.16 176.44 3mis h ASP 154 N -0.66 0.50 0.46 -2.11 3.32 -1.93 -0.28 116.42 115.72 3mis h ASP 154 Ca -0.02 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.85 3mis h ASP 154 Cb 0.49 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3mis h ASP 154 CO 0.03 0.55 0.00 0.54 -1.72 0.00 0.00 179.24 178.64 3mis n ARG 155 N -4.67 0.00 -0.04 3.56 1.74 -1.05 -2.66 116.66 113.54 3mis n ARG 155 Ca -0.01 0.27 -0.02 0.00 -0.77 0.00 0.00 57.85 57.32 3mis n ARG 155 Cb 0.15 -1.51 -0.08 0.00 -1.02 0.00 0.00 32.46 30.01 3mis n ARG 155 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3mis n LEU 156 N -1.51 0.00 0.41 0.55 -0.00 -0.81 -3.92 117.00 111.73 3mis n LEU 156 Ca 0.03 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.88 3mis n LEU 156 Cb 0.16 0.18 -0.08 0.00 -0.00 0.00 0.00 43.42 43.68 3mis n LEU 156 CO 0.13 0.18 0.50 0.25 -0.00 0.00 0.00 177.39 178.44 3mis h LEU 157 N 0.00 -0.90 -0.79 -1.96 5.85 -0.91 0.15 115.31 116.76 3mis h LEU 157 Ca -0.20 0.03 0.18 0.00 0.84 0.00 0.00 57.88 58.74 3mis h LEU 157 Cb 1.32 0.23 -0.12 0.00 0.37 0.00 0.00 40.66 42.46 3mis h LEU 157 CO 0.01 -0.61 0.21 -0.33 -0.34 0.00 0.00 178.44 177.38 3mis h GLU 158 N -1.12 0.26 0.40 1.25 4.39 -1.75 0.27 114.58 118.28 3mis h GLU 158 Ca -0.11 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 3mis h GLU 158 Cb 0.81 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 3mis h GLU 158 CO 0.18 0.17 -0.25 1.49 -1.16 0.00 0.00 179.01 179.44 3mis h GLU 159 N 0.27 -0.60 -0.35 2.33 4.81 -1.65 0.41 114.58 119.79 3mis h GLU 159 Ca 0.46 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.81 3mis h GLU 159 Cb 0.84 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 30.27 3mis h GLU 159 CO -0.56 -0.40 -0.22 0.74 -0.73 0.00 0.00 179.01 177.85 3mis h PHE 160 N -0.62 -0.56 0.33 0.92 0.04 0.21 -2.53 116.94 114.73 3mis h PHE 160 Ca -0.04 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3mis h PHE 160 Cb 0.51 0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.95 3mis h PHE 160 CO -0.10 -0.30 -0.30 -0.07 -0.60 0.00 0.00 178.31 176.95 3mis h LEU 161 N -0.17 -0.80 0.00 1.54 3.38 -0.16 -0.98 115.31 118.13 3mis h LEU 161 Ca 0.18 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3mis h LEU 161 Cb 0.44 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3mis h LEU 161 CO -0.45 -0.44 0.00 1.17 0.09 0.00 0.00 178.44 178.81 3mis n LYS 162 N -5.42 0.20 0.00 1.13 4.81 0.10 -1.44 118.16 117.54 3mis n LYS 162 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 3mis n LYS 162 Cb 0.32 -1.35 0.00 0.00 0.02 0.00 0.00 35.03 34.03 3mis n LYS 162 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3mis n ALA 163 N -0.85 1.63 0.00 3.14 0.00 -0.46 -5.03 120.51 118.94 3mis n ALA 163 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3mis n ALA 163 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 3mis n ALA 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mis n GLY 164 N -0.05 3.02 0.39 0.00 0.00 -0.52 -4.89 105.19 103.14 3mis n GLY 164 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 3mis n GLY 164 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mis h LYS 165 N 0.70 0.00 0.00 1.61 6.56 -1.70 -3.48 116.57 120.26 3mis h LYS 165 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3mis h LYS 165 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 3mis h LYS 165 CO 0.00 0.00 0.00 1.51 -2.06 0.00 0.00 179.45 178.90