#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hye s ARG 10 N 0.00 0.21 0.58 -0.67 3.52 -1.26 -5.15 118.95 116.18 3hye s ARG 10 Ca 0.00 0.35 -0.18 0.00 -0.13 0.00 0.00 55.73 55.77 3hye s ARG 10 Cb 0.00 0.01 -0.07 0.00 -1.56 0.00 0.00 34.95 33.33 3hye s ARG 10 CO 0.00 -0.08 0.69 0.41 -0.81 0.00 0.00 175.30 175.51 3hye n GLY 11 N 3.46 -1.05 0.03 8.12 0.00 -1.26 -4.87 105.19 109.62 3hye n GLY 11 Ca -0.18 -0.15 0.16 0.00 0.00 0.00 0.00 46.02 45.85 3hye n GLY 11 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hye n VAL 12 N -1.70 0.00 -2.52 1.61 0.24 -1.26 -3.34 118.33 111.36 3hye n VAL 12 Ca 0.12 -0.02 -0.13 0.00 -2.04 0.00 0.00 64.34 62.28 3hye n VAL 12 Cb 0.47 -0.43 0.03 0.00 -1.47 0.00 0.00 33.84 32.44 3hye n VAL 12 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3hye n SER 13 N -0.92 2.97 -4.87 -1.34 3.41 -1.26 -4.54 113.62 107.08 3hye n SER 13 Ca 0.24 -2.90 -0.34 0.00 -0.26 0.00 0.00 58.87 55.61 3hye n SER 13 Cb 0.13 -0.45 -0.05 0.00 -0.26 0.00 0.00 64.21 63.58 3hye n SER 13 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3hye s THR 14 N -4.16 5.05 0.06 6.66 2.01 -1.21 -5.04 115.64 119.01 3hye s THR 14 Ca 0.37 0.42 -0.12 0.00 0.31 0.00 0.00 61.69 62.67 3hye s THR 14 Cb 0.38 -3.65 -0.06 0.00 0.01 0.00 0.00 72.50 69.19 3hye s THR 14 CO -0.02 0.18 0.42 -0.36 -0.69 0.00 0.00 174.62 174.15 3hye s PHE 15 N -1.52 3.64 0.69 4.92 0.08 -1.26 -3.00 117.98 121.53 3hye s PHE 15 Ca 0.37 0.89 -0.09 0.00 0.12 0.00 0.00 56.93 58.23 3hye s PHE 15 Cb -0.13 -2.23 0.04 0.00 -0.57 0.00 0.00 43.02 40.13 3hye s PHE 15 CO 0.20 0.55 1.04 -1.54 -0.10 0.00 0.00 175.22 175.37 3hye s SER 16 N -1.52 5.13 0.39 1.36 1.04 0.28 -4.90 113.70 115.49 3hye s SER 16 Ca 0.30 0.76 0.27 0.00 0.48 0.00 0.00 55.95 57.77 3hye s SER 16 Cb -0.15 -1.51 1.39 0.00 0.10 0.00 0.00 66.02 65.85 3hye s SER 16 CO 0.17 -1.44 1.84 -0.65 0.98 0.00 0.00 173.24 174.13 3hye h PRO 17 N -0.58 0.00 -0.00 4.02 0.11 -1.99 -0.79 132.00 132.76 3hye h PRO 17 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hye h PRO 17 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3hye h PRO 17 CO 0.62 0.00 -0.26 0.39 -0.21 0.00 0.00 178.00 178.55 3hye n GLU 18 N -2.48 0.45 -0.84 1.05 4.71 -1.26 -4.93 120.64 117.34 3hye n GLU 18 Ca -0.01 -0.21 0.00 0.00 -0.01 0.00 0.00 57.16 56.93 3hye n GLU 18 Cb 0.11 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.04 3hye n GLU 18 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3hye n GLY 19 N 1.39 1.29 3.40 0.62 0.00 -0.30 -5.09 105.19 106.49 3hye n GLY 19 Ca 0.10 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 3hye n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hye s ARG 20 N -2.23 1.44 -0.44 1.61 0.52 -1.26 -4.86 118.95 113.73 3hye s ARG 20 Ca 0.00 -1.46 -0.21 0.00 -0.52 0.00 0.00 55.73 53.53 3hye s ARG 20 Cb 0.00 -1.74 0.02 0.00 0.52 0.00 0.00 34.95 33.76 3hye s ARG 20 CO 0.00 0.38 0.69 -0.51 0.02 0.00 0.00 175.30 175.87 3hye s LEU 21 N -2.55 4.42 0.18 2.53 1.43 -1.26 1.00 118.68 124.43 3hye s LEU 21 Ca 0.18 -0.26 -0.27 0.00 -1.03 0.00 0.00 54.13 52.75 3hye s LEU 21 Cb -0.08 -2.80 0.03 0.00 0.03 0.00 0.00 46.19 43.37 3hye s LEU 21 CO 0.08 -0.82 1.55 -0.26 0.23 0.00 0.00 176.35 177.13 3hye h PHE 22 N 8.90 -1.59 -0.96 0.29 -1.00 -1.89 0.30 116.94 120.99 3hye h PHE 22 Ca -0.25 0.12 0.14 0.00 2.81 0.00 0.00 57.97 60.78 3hye h PHE 22 Cb 1.09 0.82 -0.08 0.00 3.61 0.00 0.00 35.95 41.39 3hye h PHE 22 CO 0.75 -0.39 0.61 1.96 -1.61 0.00 0.00 178.31 179.62 3hye h GLN 23 N -0.04 0.81 -0.33 1.51 1.08 -1.85 0.11 115.11 116.40 3hye h GLN 23 Ca 0.21 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.28 3hye h GLN 23 Cb 0.49 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 3hye h GLN 23 CO -0.92 0.54 -0.14 0.28 -0.95 0.00 0.00 178.83 177.64 3hye h VAL 24 N 0.84 1.29 -0.34 -0.54 2.07 -1.32 -1.20 116.25 117.05 3hye h VAL 24 Ca 0.49 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 3hye h VAL 24 Cb 0.64 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 3hye h VAL 24 CO -0.26 0.40 0.05 -0.33 0.02 0.00 0.00 177.57 177.45 3hye h GLU 25 N 0.46 0.56 0.00 1.57 4.39 -0.35 -1.91 114.58 119.30 3hye h GLU 25 Ca 0.08 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 3hye h GLU 25 Cb 0.67 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 3hye h GLU 25 CO 0.05 0.65 -0.17 1.88 -1.16 0.00 0.00 179.01 180.25 3hye h TYR 26 N 0.39 0.00 -0.38 4.33 0.05 -0.81 -1.84 116.97 118.71 3hye h TYR 26 Ca 0.10 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.83 3hye h TYR 26 Cb 0.37 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 3hye h TYR 26 CO 0.03 0.17 0.05 1.03 -1.05 0.00 0.00 178.16 178.39 3hye h SER 27 N 0.00 0.62 -0.05 3.88 0.87 -0.65 -2.47 113.55 115.75 3hye h SER 27 Ca -0.00 -0.27 0.01 0.00 -1.23 0.00 0.00 61.79 60.30 3hye h SER 27 Cb 0.36 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.15 3hye h SER 27 CO 0.02 0.73 0.04 -0.07 -0.53 0.00 0.00 176.83 177.02 3hye h LEU 28 N 0.48 0.00 -0.43 2.23 4.07 -0.58 -1.70 115.31 119.38 3hye h LEU 28 Ca 0.12 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.94 3hye h LEU 28 Cb 0.38 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.11 3hye h LEU 28 CO 0.01 0.00 -0.26 -0.33 -1.08 0.00 0.00 178.44 176.78 3hye h GLU 29 N 0.00 0.94 -0.49 1.13 4.39 -1.19 -2.50 114.58 116.86 3hye h GLU 29 Ca 0.02 -0.43 -0.05 0.00 0.34 0.00 0.00 59.36 59.23 3hye h GLU 29 Cb 0.10 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 3hye h GLU 29 CO -0.00 1.10 0.08 0.00 -1.16 0.00 0.00 179.01 179.02 3hye h ALA 30 N 0.82 1.22 -0.23 3.43 0.00 -1.18 -2.34 119.26 121.00 3hye h ALA 30 Ca 0.09 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3hye h ALA 30 Cb 0.84 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3hye h ALA 30 CO 0.07 0.53 -0.10 0.82 0.00 0.00 0.00 179.25 180.57 3hye h ILE 31 N 0.73 1.20 -0.09 0.00 2.04 -1.19 -2.17 117.51 118.03 3hye h ILE 31 Ca 0.16 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 3hye h ILE 31 Cb 0.33 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3hye h ILE 31 CO 0.01 0.27 -0.07 0.11 0.00 0.00 0.00 178.15 178.47 3hye h LYS 32 N 0.34 0.13 0.00 2.37 1.57 -0.98 -1.97 116.57 118.03 3hye h LYS 32 Ca 0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3hye h LYS 32 Cb 0.40 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3hye h LYS 32 CO 0.02 0.21 0.00 1.28 -0.57 0.00 0.00 179.45 180.39 3hye n LEU 33 N -4.38 0.25 -4.76 2.94 4.77 -0.82 -1.87 117.00 113.13 3hye n LEU 33 Ca -0.01 0.53 -0.29 0.00 -0.03 0.00 0.00 56.01 56.20 3hye n LEU 33 Cb 0.19 -0.45 0.15 0.00 -2.33 0.00 0.00 43.42 40.98 3hye n LEU 33 CO 0.36 -0.07 0.70 -0.83 -1.33 0.00 0.00 177.39 176.22 3hye s GLY 34 N -3.18 1.58 0.64 -0.72 0.00 -0.74 -4.72 107.32 100.17 3hye s GLY 34 Ca 0.13 -0.52 -0.16 0.00 0.00 0.00 0.00 44.72 44.16 3hye s GLY 34 CO 0.54 0.06 1.15 -0.56 0.00 0.00 0.00 173.10 174.28 3hye s SER 35 N -3.94 5.06 0.42 1.64 0.01 -1.26 -0.80 113.70 114.83 3hye s SER 35 Ca 0.64 2.17 -0.24 0.00 1.31 0.00 0.00 55.95 59.83 3hye s SER 35 Cb -0.15 -2.57 -0.08 0.00 0.21 0.00 0.00 66.02 63.42 3hye s SER 35 CO 0.54 -1.67 1.10 -0.89 0.41 0.00 0.00 173.24 172.73 3hye s THR 36 N -2.04 3.46 -0.04 1.44 2.01 -1.26 -4.40 115.64 114.80 3hye s THR 36 Ca 0.71 1.12 -0.02 0.00 0.31 0.00 0.00 61.69 63.81 3hye s THR 36 Cb -0.24 -3.58 0.03 0.00 0.01 0.00 0.00 72.50 68.71 3hye s THR 36 CO 0.38 0.01 0.10 0.00 -0.69 0.00 0.00 174.62 174.42 3hye s ALA 37 N -1.60 -0.17 0.01 7.40 0.00 0.07 -1.25 121.76 126.23 3hye s ALA 37 Ca 0.60 0.45 0.04 0.00 0.00 0.00 0.00 51.96 53.04 3hye s ALA 37 Cb -0.25 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 3hye s ALA 37 CO 0.31 -0.11 -0.13 0.42 0.00 0.00 0.00 175.76 176.25 3hye s ILE 38 N 0.76 1.04 -0.03 0.00 1.01 0.49 -1.02 121.20 123.44 3hye s ILE 38 Ca -0.06 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.85 3hye s ILE 38 Cb -0.08 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.49 3hye s ILE 38 CO -0.03 0.13 -0.08 -0.83 0.00 0.00 0.00 174.94 174.13 3hye s GLY 39 N -0.73 0.51 -0.08 6.18 0.00 0.15 -0.54 107.32 112.81 3hye s GLY 39 Ca 0.03 -0.30 0.01 0.00 0.00 0.00 0.00 44.72 44.46 3hye s GLY 39 CO 0.00 -0.05 -0.10 -0.42 0.00 0.00 0.00 173.10 172.53 3hye s ILE 40 N 0.23 1.08 -0.22 0.90 -1.09 -0.13 -0.93 121.20 121.05 3hye s ILE 40 Ca -0.03 -0.39 -0.06 0.00 -2.23 0.00 0.00 60.65 57.93 3hye s ILE 40 Cb -0.09 -1.03 -0.03 0.00 -1.58 0.00 0.00 42.46 39.73 3hye s ILE 40 CO 0.00 0.36 0.04 0.00 -1.23 0.00 0.00 174.94 174.11 3hye s ALA 41 N 1.09 3.15 0.25 9.38 0.00 0.39 -0.32 121.76 135.70 3hye s ALA 41 Ca -0.06 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 50.96 3hye s ALA 41 Cb -0.14 -1.92 -0.05 0.00 0.00 0.00 0.00 23.12 21.01 3hye s ALA 41 CO -0.01 -0.21 -0.06 0.95 0.00 0.00 0.00 175.76 176.42 3hye s THR 42 N 1.11 1.52 -1.95 0.00 -4.23 0.12 -4.88 115.64 107.33 3hye s THR 42 Ca 0.03 -2.12 0.13 0.00 -1.18 0.00 0.00 61.69 58.56 3hye s THR 42 Cb -0.14 -2.33 0.37 0.00 1.34 0.00 0.00 72.50 71.74 3hye s THR 42 CO 0.02 -0.38 1.23 0.29 -0.54 0.00 0.00 174.62 175.25 3hye n LYS 43 N -0.50 0.40 -0.06 3.99 5.02 -1.26 -1.17 118.16 124.58 3hye n LYS 43 Ca -0.06 0.01 0.05 0.00 -2.02 0.00 0.00 58.31 56.30 3hye n LYS 43 Cb 0.63 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 34.22 3hye n LYS 43 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3hye n GLU 44 N -1.02 1.33 0.00 1.97 1.02 -1.26 -5.01 120.64 117.66 3hye n GLU 44 Ca 0.10 -1.44 0.00 0.00 -0.02 0.00 0.00 57.16 55.79 3hye n GLU 44 Cb 0.05 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 3hye n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hye n GLY 45 N 0.53 0.98 3.09 0.62 0.00 -0.32 -4.78 105.19 105.32 3hye n GLY 45 Ca 0.08 -1.98 -0.26 0.00 0.00 0.00 0.00 46.02 43.85 3hye n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hye s VAL 46 N -1.22 1.37 -0.05 1.61 1.01 -0.94 0.14 120.40 122.33 3hye s VAL 46 Ca 0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 3hye s VAL 46 Cb 0.00 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 3hye s VAL 46 CO 0.00 0.40 0.11 -0.69 0.00 0.00 0.00 175.10 174.93 3hye s VAL 47 N 0.38 5.09 -0.07 2.92 1.01 0.56 -1.73 120.40 128.56 3hye s VAL 47 Ca -0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 3hye s VAL 47 Cb -0.14 -3.29 0.03 0.00 0.00 0.00 0.00 36.38 32.98 3hye s VAL 47 CO 0.04 0.45 -0.02 -0.76 0.00 0.00 0.00 175.10 174.81 3hye s LEU 48 N -1.48 0.92 0.08 3.92 1.02 -0.20 -0.96 118.68 121.97 3hye s LEU 48 Ca 0.21 -0.12 0.05 0.00 0.02 0.00 0.00 54.13 54.28 3hye s LEU 48 Cb -0.12 -0.49 -0.03 0.00 0.02 0.00 0.00 46.19 45.57 3hye s LEU 48 CO 0.11 -0.14 -0.13 -0.83 0.02 0.00 0.00 176.35 175.39 3hye s GLY 49 N 1.57 0.84 0.05 -3.19 0.00 0.30 -1.36 107.32 105.54 3hye s GLY 49 Ca -0.01 -1.04 -0.03 0.00 0.00 0.00 0.00 44.72 43.64 3hye s GLY 49 CO -0.04 -1.08 0.04 -1.34 0.00 0.00 0.00 173.10 170.68 3hye s VAL 50 N -1.57 0.18 -0.38 1.40 -7.23 -0.62 -0.38 120.40 111.79 3hye s VAL 50 Ca -0.00 -1.46 -0.18 0.00 -1.81 0.00 0.00 61.98 58.52 3hye s VAL 50 Cb -0.08 -1.24 0.01 0.00 0.56 0.00 0.00 36.38 35.62 3hye s VAL 50 CO 0.02 -0.81 0.51 -0.70 -0.31 0.00 0.00 175.10 173.81 3hye s GLU 51 N -3.42 3.42 0.10 4.82 2.12 -0.38 -1.87 118.70 123.50 3hye s GLU 51 Ca 0.02 -0.37 -0.32 0.00 0.36 0.00 0.00 54.97 54.67 3hye s GLU 51 Cb 0.04 -3.87 -0.13 0.00 0.26 0.00 0.00 34.13 30.43 3hye s GLU 51 CO -0.08 -0.76 1.60 0.87 -0.54 0.00 0.00 175.26 176.35 3hye h LYS 52 N 8.61 -0.72 -5.52 4.30 6.56 -0.87 -3.42 116.57 125.51 3hye h LYS 52 Ca -0.27 0.05 -0.27 0.00 -1.06 0.00 0.00 60.65 59.10 3hye h LYS 52 Cb 1.12 0.16 0.19 0.00 -0.57 0.00 0.00 32.23 33.13 3hye h LYS 52 CO 0.80 -0.48 -0.85 -2.13 -2.06 0.00 0.00 179.45 174.72 3hye n ARG 53 N -5.48 -2.92 -1.85 3.15 0.63 -1.25 -4.98 116.66 103.96 3hye n ARG 53 Ca -0.09 0.85 -0.35 0.00 -0.92 0.00 0.00 57.85 57.33 3hye n ARG 53 Cb 0.38 -5.78 0.05 0.00 0.45 0.00 0.00 32.46 27.57 3hye n ARG 53 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hye s ALA 54 N -3.39 2.43 -1.86 5.13 0.00 -1.26 -4.94 121.76 117.88 3hye s ALA 54 Ca 0.38 0.97 0.25 0.00 0.00 0.00 0.00 51.96 53.57 3hye s ALA 54 Cb -0.05 -3.46 0.55 0.00 0.00 0.00 0.00 23.12 20.16 3hye s ALA 54 CO 0.74 -1.36 1.44 0.25 0.00 0.00 0.00 175.76 176.83 3hye n THR 55 N -1.91 0.00 -3.56 0.00 -2.24 -1.26 -4.92 114.28 100.39 3hye n THR 55 Ca 0.14 -0.17 -0.17 0.00 -2.27 0.00 0.00 64.05 61.58 3hye n THR 55 Cb 0.50 0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 69.31 3hye n THR 55 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hye s SER 56 N -2.48 -0.67 0.60 3.42 0.15 -1.26 -5.03 113.70 108.43 3hye s SER 56 Ca 0.23 0.90 0.36 0.00 0.70 0.00 0.00 55.95 58.14 3hye s SER 56 Cb 0.19 0.78 1.92 0.00 -1.71 0.00 0.00 66.02 67.20 3hye s SER 56 CO 0.53 -0.50 2.22 1.55 1.20 0.00 0.00 173.24 178.23 3hye h PRO 57 N 3.58 0.00 0.00 5.44 0.13 -2.04 -1.96 132.00 137.15 3hye h PRO 57 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3hye h PRO 57 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3hye h PRO 57 CO 0.30 0.03 0.00 1.28 -0.23 0.00 0.00 178.00 179.38 3hye n LEU 58 N -3.35 0.46 -4.68 1.56 4.77 -1.26 -4.74 117.00 109.77 3hye n LEU 58 Ca -0.02 0.57 -0.43 0.00 -0.03 0.00 0.00 56.01 56.10 3hye n LEU 58 Cb 0.15 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 40.77 3hye n LEU 58 CO 0.25 -0.22 0.90 -0.22 -1.33 0.00 0.00 177.39 176.76 3hye s LEU 59 N -3.92 4.22 -0.60 2.23 1.98 -0.74 -4.96 118.68 116.89 3hye s LEU 59 Ca 0.10 1.59 -0.27 0.00 -2.89 0.00 0.00 54.13 52.66 3hye s LEU 59 Cb 0.13 -3.55 -0.00 0.00 0.66 0.00 0.00 46.19 43.43 3hye s LEU 59 CO 0.49 -0.57 1.65 -1.61 -1.89 0.00 0.00 176.35 174.43 3hye s GLU 60 N 2.50 2.93 0.39 1.98 2.02 -1.26 -4.87 118.70 122.38 3hye s GLU 60 Ca 0.50 0.48 0.20 0.00 0.02 0.00 0.00 54.97 56.17 3hye s GLU 60 Cb -0.20 -4.28 1.15 0.00 0.10 0.00 0.00 34.13 30.91 3hye s GLU 60 CO 0.16 -2.39 1.72 0.66 0.02 0.00 0.00 175.26 175.43 3hye h SER 61 N 13.07 0.43 0.39 -0.19 4.64 -1.92 -1.49 113.55 128.47 3hye h SER 61 Ca -0.27 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3hye h SER 61 Cb 1.13 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3hye h SER 61 CO 1.21 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 176.27 3hye n ASP 62 N -4.71 0.12 -0.26 4.97 3.85 -1.26 -1.41 116.55 117.85 3hye n ASP 62 Ca 0.29 0.54 0.15 0.00 -0.71 0.00 0.00 54.79 55.05 3hye n ASP 62 Cb 1.00 -0.56 0.72 0.00 -1.35 0.00 0.00 41.12 40.93 3hye n ASP 62 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3hye n SER 63 N -1.64 0.80 -4.53 -1.12 3.41 -0.56 -4.67 113.62 105.30 3hye n SER 63 Ca 0.02 -1.27 -0.43 0.00 -0.26 0.00 0.00 58.87 56.93 3hye n SER 63 Cb 0.13 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 3hye n SER 63 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hye s ILE 64 N -2.00 4.67 -0.72 -1.33 1.01 -0.50 -4.98 121.20 117.35 3hye s ILE 64 Ca 0.42 0.34 -0.03 0.00 0.00 0.00 0.00 60.65 61.39 3hye s ILE 64 Cb 0.21 -4.31 0.18 0.00 0.01 0.00 0.00 42.46 38.55 3hye s ILE 64 CO 0.35 -0.72 0.56 -0.70 0.00 0.00 0.00 174.94 174.42 3hye s GLU 65 N 3.23 2.82 0.00 2.79 2.12 -1.26 -4.84 118.70 123.56 3hye s GLU 65 Ca 0.28 -2.79 0.18 0.00 0.36 0.00 0.00 54.97 53.00 3hye s GLU 65 Cb -0.13 -3.82 0.31 0.00 0.26 0.00 0.00 34.13 30.76 3hye s GLU 65 CO 0.22 -1.21 1.23 1.63 -0.54 0.00 0.00 175.26 176.59 3hye n LYS 66 N 3.10 2.12 -3.85 4.30 5.02 -1.26 -4.81 118.16 122.79 3hye n LYS 66 Ca 0.13 -1.96 -0.27 0.00 -2.02 0.00 0.00 58.31 54.18 3hye n LYS 66 Cb 0.38 -1.39 -0.17 0.00 -0.02 0.00 0.00 35.03 33.84 3hye n LYS 66 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hye s ILE 67 N -1.25 0.89 0.17 -0.18 1.01 -1.26 -1.85 121.20 118.72 3hye s ILE 67 Ca 0.29 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.54 3hye s ILE 67 Cb 0.17 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 3hye s ILE 67 CO 0.24 0.11 -0.16 0.68 0.00 0.00 0.00 174.94 175.80 3hye s VAL 68 N 1.73 1.66 0.03 2.92 -7.23 -0.28 -4.97 120.40 114.27 3hye s VAL 68 Ca 0.01 -1.96 -0.22 0.00 -1.81 0.00 0.00 61.98 58.01 3hye s VAL 68 Cb -0.15 -1.82 -0.06 0.00 0.56 0.00 0.00 36.38 34.91 3hye s VAL 68 CO -0.07 -0.43 0.65 -0.70 -0.31 0.00 0.00 175.10 174.24 3hye s GLU 69 N -3.03 4.37 -0.26 4.82 2.12 -1.26 -0.87 118.70 124.59 3hye s GLU 69 Ca 0.16 0.86 -0.06 0.00 0.36 0.00 0.00 54.97 56.28 3hye s GLU 69 Cb -0.04 -3.33 -0.15 0.00 0.26 0.00 0.00 34.13 30.87 3hye s GLU 69 CO 0.06 0.40 -0.24 -0.89 -0.54 0.00 0.00 175.26 174.04 3hye n ILE 70 N 2.53 1.52 -3.86 -3.70 2.08 -0.08 -4.95 119.36 112.90 3hye n ILE 70 Ca -0.06 -0.47 -0.09 0.00 0.56 0.00 0.00 62.75 62.69 3hye n ILE 70 Cb 0.51 -1.66 0.00 0.00 -0.75 0.00 0.00 39.64 37.74 3hye n ILE 70 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3hye s ASP 71 N -6.99 0.01 0.55 4.38 3.68 -0.85 -4.45 116.67 112.99 3hye s ASP 71 Ca -0.36 -1.02 0.23 0.00 2.13 0.00 0.00 52.55 53.53 3hye s ASP 71 Cb 0.11 0.79 1.47 0.00 -1.45 0.00 0.00 42.92 43.85 3hye s ASP 71 CO 0.56 -1.53 2.12 -0.09 0.13 0.00 0.00 175.17 176.36 3hye h ARG 72 N 2.02 0.00 -0.44 4.34 2.43 -1.97 -2.33 114.38 118.44 3hye h ARG 72 Ca -0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3hye h ARG 72 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3hye h ARG 72 CO 0.35 0.00 0.00 -2.39 -1.51 0.00 0.00 179.97 176.42 3hye n HIS 73 N -4.22 0.58 -3.78 2.20 1.44 -1.26 -0.56 115.22 109.62 3hye n HIS 73 Ca 0.01 -0.46 -0.14 0.00 -2.01 0.00 0.00 57.72 55.12 3hye n HIS 73 Cb 0.26 -0.02 -0.14 0.00 0.12 0.00 0.00 29.99 30.20 3hye n HIS 73 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3hye s ILE 74 N -1.02 -0.04 0.26 0.61 1.01 -0.88 -1.71 121.20 119.43 3hye s ILE 74 Ca 0.30 0.14 0.02 0.00 0.00 0.00 0.00 60.65 61.11 3hye s ILE 74 Cb 0.16 -0.18 -0.05 0.00 0.01 0.00 0.00 42.46 42.40 3hye s ILE 74 CO 0.21 0.06 0.09 -0.83 0.00 0.00 0.00 174.94 174.47 3hye s GLY 75 N 0.87 1.76 -0.06 6.18 0.00 0.51 -0.90 107.32 115.67 3hye s GLY 75 Ca -0.07 -1.88 -0.27 0.00 0.00 0.00 0.00 44.72 42.50 3hye s GLY 75 CO -0.04 -1.62 0.60 0.00 0.00 0.00 0.00 173.10 172.04 3hye s ALA 77 N -1.04 2.32 0.31 0.00 0.00 -0.01 -1.13 121.76 122.21 3hye s ALA 77 Ca -0.10 -1.34 0.10 0.00 0.00 0.00 0.00 51.96 50.62 3hye s ALA 77 Cb -0.02 -0.46 -0.06 0.00 0.00 0.00 0.00 23.12 22.59 3hye s ALA 77 CO 0.08 0.54 -0.14 0.00 0.00 0.00 0.00 175.76 176.24 3hye s MET 78 N -1.56 1.72 -0.26 0.00 0.23 -0.77 0.09 119.30 118.76 3hye s MET 78 Ca 0.13 -1.84 -0.12 0.00 -1.03 0.00 0.00 55.69 52.83 3hye s MET 78 Cb -0.10 -1.67 0.09 0.00 -1.53 0.00 0.00 34.83 31.62 3hye s MET 78 CO 0.04 0.22 0.60 0.45 -2.03 0.00 0.00 175.02 174.29 3hye s SER 79 N -3.54 -0.86 0.00 -1.18 0.15 -0.85 -4.79 113.70 102.63 3hye s SER 79 Ca 0.31 1.37 0.00 0.00 0.70 0.00 0.00 55.95 58.33 3hye s SER 79 Cb -0.01 1.60 0.00 0.00 -1.71 0.00 0.00 66.02 65.90 3hye s SER 79 CO 0.15 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.98 3hye n GLY 80 N 4.83 0.20 3.57 9.45 0.00 -1.26 -1.48 105.19 120.50 3hye n GLY 80 Ca -0.16 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 3hye n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hye s LEU 81 N 0.00 3.39 0.56 0.99 1.43 0.17 -4.79 118.68 120.43 3hye s LEU 81 Ca 0.00 -1.40 0.26 0.00 -1.03 0.00 0.00 54.13 51.96 3hye s LEU 81 Cb 0.00 -2.57 1.51 0.00 0.03 0.00 0.00 46.19 45.16 3hye s LEU 81 CO 0.00 -2.07 2.06 0.71 0.23 0.00 0.00 176.35 177.28 3hye h THR 82 N 6.66 0.62 -0.20 5.49 1.35 -1.90 -1.20 112.91 123.73 3hye h THR 82 Ca 0.21 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 66.03 3hye h THR 82 Cb 0.98 0.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 3hye h THR 82 CO 1.34 0.00 -0.05 0.00 -0.25 0.00 0.00 175.52 176.56 3hye h ALA 83 N 1.76 1.56 0.00 6.62 0.00 -1.97 -1.13 119.26 126.10 3hye h ALA 83 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hye h ALA 83 Cb 0.64 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hye h ALA 83 CO -0.00 0.32 0.00 -0.25 0.00 0.00 0.00 179.25 179.32 3hye n ASP 84 N -4.33 0.36 0.05 0.00 10.43 -0.45 -2.69 116.55 119.91 3hye n ASP 84 Ca -0.00 0.61 0.12 0.00 2.57 0.00 0.00 54.79 58.09 3hye n ASP 84 Cb 0.22 -0.68 0.23 0.00 1.84 0.00 0.00 41.12 42.73 3hye n ASP 84 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hye n ALA 85 N -1.65 2.98 -0.02 2.24 0.00 -0.43 -4.28 120.51 119.36 3hye n ALA 85 Ca 0.02 -0.25 -0.10 0.00 0.00 0.00 0.00 53.44 53.11 3hye n ALA 85 Cb 0.15 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.36 3hye n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hye h ARG 86 N 0.00 0.10 0.00 0.00 2.47 -1.62 -0.11 114.38 115.22 3hye h ARG 86 Ca 0.00 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.67 3hye h ARG 86 Cb 0.68 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.97 3hye h ARG 86 CO 0.00 0.07 -0.19 0.66 0.56 0.00 0.00 179.97 181.07 3hye h SER 87 N 0.10 0.00 -0.15 7.04 4.64 -1.81 -0.73 113.55 122.65 3hye h SER 87 Ca 0.06 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.25 3hye h SER 87 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3hye h SER 87 CO -0.07 0.19 -0.41 0.24 -0.87 0.00 0.00 176.83 175.91 3hye h MET 88 N 0.00 0.54 -0.43 4.77 2.86 -1.56 -1.01 114.93 120.10 3hye h MET 88 Ca -0.00 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 57.23 3hye h MET 88 Cb 0.55 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 3hye h MET 88 CO 0.02 1.00 0.19 0.82 1.06 0.00 0.00 176.91 180.01 3hye h ILE 89 N 0.17 1.19 -0.31 -1.22 1.08 -0.69 -0.31 117.51 117.42 3hye h ILE 89 Ca -0.01 -0.57 0.02 0.00 -0.39 0.00 0.00 64.86 63.91 3hye h ILE 89 Cb 1.03 0.77 -0.03 0.00 -3.07 0.00 0.00 36.82 35.52 3hye h ILE 89 CO 0.09 0.21 0.15 -0.08 -0.69 0.00 0.00 178.15 177.84 3hye h GLU 90 N 0.56 0.31 -0.81 2.37 4.57 -1.13 0.22 114.58 120.67 3hye h GLU 90 Ca 0.15 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.28 3hye h GLU 90 Cb 0.16 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 3hye h GLU 90 CO -0.01 0.21 0.40 1.25 -1.18 0.00 0.00 179.01 179.67 3hye h HIS 91 N 0.32 1.15 -0.12 0.92 2.76 -0.93 -1.65 115.15 117.59 3hye h HIS 91 Ca 0.13 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 3hye h HIS 91 Cb 0.04 -0.36 -0.00 0.00 1.55 0.00 0.00 27.41 28.64 3hye h HIS 91 CO -0.10 0.83 0.03 0.00 -1.30 0.00 0.00 177.93 177.38 3hye h ALA 92 N 1.29 0.16 -0.62 5.26 0.00 -0.20 0.15 119.26 125.30 3hye h ALA 92 Ca 0.28 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3hye h ALA 92 Cb 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3hye h ALA 92 CO -0.04 -0.20 0.30 0.00 0.00 0.00 0.00 179.25 179.31 3hye h ARG 93 N -0.02 0.87 -0.27 0.00 3.08 -0.43 -1.17 114.38 116.44 3hye h ARG 93 Ca 0.04 -0.11 -0.17 0.00 0.07 0.00 0.00 59.98 59.80 3hye h ARG 93 Cb 0.26 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3hye h ARG 93 CO 0.00 0.67 -0.52 1.15 -1.07 0.00 0.00 179.97 180.20 3hye h THR 94 N 0.87 1.29 -0.36 2.04 2.02 -1.13 -1.30 112.91 116.33 3hye h THR 94 Ca 0.22 -1.72 -0.04 0.00 0.77 0.00 0.00 66.41 65.64 3hye h THR 94 Cb 0.08 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3hye h THR 94 CO -0.03 0.56 0.08 0.00 0.37 0.00 0.00 175.52 176.50 3hye h ALA 95 N 0.79 0.48 -0.18 6.16 0.00 -0.52 0.18 119.26 126.17 3hye h ALA 95 Ca 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3hye h ALA 95 Cb 1.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3hye h ALA 95 CO 0.11 0.16 0.02 0.00 0.00 0.00 0.00 179.25 179.54 3hye h ALA 96 N 0.92 0.24 -0.40 0.00 0.00 -1.20 0.08 119.26 118.90 3hye h ALA 96 Ca 0.11 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3hye h ALA 96 Cb 0.32 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3hye h ALA 96 CO 0.00 -0.08 0.05 0.28 0.00 0.00 0.00 179.25 179.50 3hye h VAL 97 N 0.07 1.25 -0.70 0.00 2.07 -1.20 -2.34 116.25 115.39 3hye h VAL 97 Ca 0.05 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.70 3hye h VAL 97 Cb 0.33 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 3hye h VAL 97 CO 0.01 0.31 0.45 0.74 0.02 0.00 0.00 177.57 179.09 3hye h THR 98 N 0.52 1.12 -0.61 2.57 2.02 -0.54 -1.03 112.91 116.96 3hye h THR 98 Ca 0.12 -0.31 0.02 0.00 0.77 0.00 0.00 66.41 67.01 3hye h THR 98 Cb 0.39 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 3hye h THR 98 CO 0.01 0.16 0.39 -0.74 0.37 0.00 0.00 175.52 175.71 3hye h HIS 99 N 0.89 0.73 -0.70 3.16 6.17 -0.82 -1.28 115.15 123.31 3hye h HIS 99 Ca 0.27 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.33 3hye h HIS 99 Cb -0.02 -0.24 -0.03 0.00 2.52 0.00 0.00 27.41 29.63 3hye h HIS 99 CO -0.04 0.43 0.28 -0.97 0.71 0.00 0.00 177.93 178.35 3hye h ASN 100 N 0.78 0.96 -0.76 3.26 -0.73 -0.82 0.11 115.58 118.38 3hye h ASN 100 Ca 0.24 -0.17 -0.02 0.00 1.87 0.00 0.00 56.30 58.21 3hye h ASN 100 Cb -0.02 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.28 3hye h ASN 100 CO -0.08 0.87 0.38 0.25 -0.37 0.00 0.00 177.43 178.48 3hye h LEU 101 N 1.00 0.98 -0.36 0.34 5.85 -0.63 0.31 115.31 122.79 3hye h LEU 101 Ca 0.23 -0.12 -0.18 0.00 0.84 0.00 0.00 57.88 58.65 3hye h LEU 101 Cb 0.21 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3hye h LEU 101 CO -0.02 0.83 -0.82 1.88 -0.34 0.00 0.00 178.44 179.96 3hye h TYR 102 N 1.06 0.13 0.00 1.25 0.05 -0.90 -3.38 116.97 115.18 3hye h TYR 102 Ca 0.26 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.97 3hye h TYR 102 Cb 0.10 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.82 3hye h TYR 102 CO 0.01 0.87 0.00 0.66 -1.05 0.00 0.00 178.16 178.65 3hye n TYR 103 N -3.63 0.00 -3.79 4.88 4.02 0.36 -5.02 117.16 113.98 3hye n TYR 103 Ca -0.02 -0.14 -0.26 0.00 -0.01 0.00 0.00 57.90 57.47 3hye n TYR 103 Cb 0.78 -0.01 0.03 0.00 -0.02 0.00 0.00 39.34 40.12 3hye n TYR 103 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3hye n ASP 104 N -0.14 -3.17 -3.24 7.72 4.64 0.11 -4.94 116.55 117.53 3hye n ASP 104 Ca 0.00 -0.78 -0.07 0.00 -1.38 0.00 0.00 54.79 52.56 3hye n ASP 104 Cb 0.11 -4.05 0.01 0.00 -1.04 0.00 0.00 41.12 36.15 3hye n ASP 104 CO 0.00 0.00 0.00 -1.83 -0.82 0.00 0.00 177.20 174.55 3hye s GLU 105 N -6.29 1.92 0.23 -0.67 -1.05 -1.25 -5.08 118.70 106.52 3hye s GLU 105 Ca 0.34 -1.20 -0.18 0.00 -0.15 0.00 0.00 54.97 53.78 3hye s GLU 105 Cb -0.17 0.57 -0.08 0.00 -0.44 0.00 0.00 34.13 34.00 3hye s GLU 105 CO 0.81 -0.90 0.71 -0.51 0.95 0.00 0.00 175.26 176.33 3hye s ASP 106 N -3.09 6.99 0.11 0.83 -0.00 -1.26 -3.76 116.67 116.48 3hye s ASP 106 Ca 0.15 1.36 -0.30 0.00 -0.00 0.00 0.00 52.55 53.77 3hye s ASP 106 Cb -0.05 -2.40 -0.06 0.00 -0.00 0.00 0.00 42.92 40.42 3hye s ASP 106 CO 0.09 -0.00 0.95 -0.51 -0.00 0.00 0.00 175.17 175.69 3hye s ILE 107 N -1.60 4.52 0.37 0.77 2.07 -1.26 -4.99 121.20 121.08 3hye s ILE 107 Ca 0.45 2.04 -0.28 0.00 -1.41 0.00 0.00 60.65 61.45 3hye s ILE 107 Cb -0.15 -4.31 -0.11 0.00 0.13 0.00 0.00 42.46 38.02 3hye s ILE 107 CO 0.20 0.32 1.44 0.20 -1.91 0.00 0.00 174.94 175.19 3hye s ASN 108 N 0.01 6.40 0.28 4.50 0.02 -1.26 -4.82 114.94 120.06 3hye s ASN 108 Ca 0.46 2.95 0.01 0.00 -1.02 0.00 0.00 52.86 55.27 3hye s ASN 108 Cb -0.23 -2.66 0.61 0.00 0.02 0.00 0.00 41.25 38.98 3hye s ASN 108 CO 0.29 -0.82 1.76 0.58 0.02 0.00 0.00 177.10 178.93 3hye h VAL 109 N 2.92 0.69 -0.54 1.60 2.07 -1.94 -0.15 116.25 120.90 3hye h VAL 109 Ca -0.50 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 66.71 3hye h VAL 109 Cb 1.24 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3hye h VAL 109 CO 0.64 0.11 -0.02 -0.08 0.02 0.00 0.00 177.57 178.25 3hye h GLU 110 N 0.63 0.97 -0.29 1.57 4.22 -1.99 -1.50 114.58 118.19 3hye h GLU 110 Ca 0.50 -0.32 -0.01 0.00 0.08 0.00 0.00 59.36 59.62 3hye h GLU 110 Cb 0.76 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3hye h GLU 110 CO -0.39 0.99 0.15 0.77 -2.18 0.00 0.00 179.01 178.35 3hye h SER 111 N 0.85 0.36 -0.62 1.04 0.02 -1.52 0.40 113.55 114.09 3hye h SER 111 Ca 0.15 -0.10 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 3hye h SER 111 Cb 0.56 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.96 3hye h SER 111 CO 0.03 0.35 0.36 0.25 -1.14 0.00 0.00 176.83 176.69 3hye h LEU 112 N 0.34 0.57 -0.22 5.07 7.12 -0.96 -1.72 115.31 125.51 3hye h LEU 112 Ca 0.10 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.11 3hye h LEU 112 Cb 0.08 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.09 3hye h LEU 112 CO -0.02 0.39 0.09 0.74 -0.13 0.00 0.00 178.44 179.52 3hye h THR 113 N 0.70 1.16 -0.67 1.05 2.02 -0.83 -2.44 112.91 113.91 3hye h THR 113 Ca 0.26 -0.48 0.06 0.00 0.77 0.00 0.00 66.41 67.02 3hye h THR 113 Cb 0.09 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 3hye h THR 113 CO -0.13 0.16 0.44 -0.61 0.37 0.00 0.00 175.52 175.75 3hye h GLN 114 N 0.22 0.69 -0.29 6.66 5.75 -0.61 -0.35 115.11 127.17 3hye h GLN 114 Ca 0.08 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 3hye h GLN 114 Cb 0.16 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 3hye h GLN 114 CO -0.01 0.45 0.09 1.03 -2.65 0.00 0.00 178.83 177.74 3hye h SER 115 N 0.71 0.43 -0.48 -0.69 0.87 -1.00 -1.62 113.55 111.76 3hye h SER 115 Ca 0.28 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 3hye h SER 115 Cb 0.22 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3hye h SER 115 CO -0.09 0.53 0.21 0.58 -0.53 0.00 0.00 176.83 177.53 3hye h VAL 116 N 0.31 1.20 0.00 2.23 2.07 -0.90 -2.25 116.25 118.92 3hye h VAL 116 Ca 0.09 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3hye h VAL 116 Cb 0.25 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3hye h VAL 116 CO -0.00 0.23 0.00 0.00 0.02 0.00 0.00 177.57 177.82 3hye h ASP 118 N 0.00 0.00 0.22 0.00 3.45 -0.66 -2.65 116.42 116.78 3hye h ASP 118 Ca 0.00 0.00 -0.24 0.00 0.43 0.00 0.00 57.03 57.22 3hye h ASP 118 Cb 0.26 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.04 3hye h ASP 118 CO 0.00 0.16 -0.99 -0.07 -1.57 0.00 0.00 179.24 176.77 3hye h LEU 119 N 0.00 0.67 -0.22 1.55 3.38 -1.42 -3.39 115.31 115.88 3hye h LEU 119 Ca -0.00 -0.54 0.02 0.00 0.09 0.00 0.00 57.88 57.44 3hye h LEU 119 Cb 0.59 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3hye h LEU 119 CO 0.02 1.35 -0.13 0.00 0.09 0.00 0.00 178.44 179.77 3hye n ALA 120 N -2.58 -0.14 1.47 1.53 0.00 -1.00 -0.65 120.51 119.14 3hye n ALA 120 Ca -0.08 0.19 0.03 0.00 0.00 0.00 0.00 53.44 53.57 3hye n ALA 120 Cb 0.86 0.13 0.08 0.00 0.00 0.00 0.00 19.45 20.52 3hye n ALA 120 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hye n LEU 121 N -3.41 0.89 -2.92 0.00 4.77 -1.26 -4.51 117.00 110.56 3hye n LEU 121 Ca 0.00 -0.44 -0.29 0.00 -0.03 0.00 0.00 56.01 55.25 3hye n LEU 121 Cb 0.06 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 40.97 3hye n LEU 121 CO -0.04 0.22 2.78 0.54 -1.33 0.00 0.00 177.39 179.57 3hye n ARG 122 N -0.02 3.04 -4.24 3.23 1.74 0.18 -4.85 116.66 115.73 3hye n ARG 122 Ca 0.06 -1.77 -0.14 0.00 -0.77 0.00 0.00 57.85 55.23 3hye n ARG 122 Cb 0.14 -2.53 -0.10 0.00 -1.02 0.00 0.00 32.46 28.95 3hye n ARG 122 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3hye s PHE 123 N 1.96 1.22 0.00 -1.55 -0.71 -1.26 -3.90 117.98 113.73 3hye s PHE 123 Ca 0.66 -0.90 0.00 0.00 -1.04 0.00 0.00 56.93 55.65 3hye s PHE 123 Cb 0.21 -0.67 0.00 0.00 -1.21 0.00 0.00 43.02 41.35 3hye s PHE 123 CO -0.04 -0.08 0.00 0.41 -1.34 0.00 0.00 175.22 174.17 3hye n GLY 12 N -0.21 1.14 1.04 1.99 0.00 0.07 -4.83 105.19 104.38 3hye n GLY 12 Ca -0.09 -1.81 0.08 0.00 0.00 0.00 0.00 46.02 44.20 3hye n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hye n GLU 12 N -1.84 3.25 0.00 1.61 1.02 -1.26 -4.41 120.64 119.01 3hye n GLU 12 Ca 0.00 -2.76 0.00 0.00 -0.02 0.00 0.00 57.16 54.38 3hye n GLU 12 Cb 0.00 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 3hye n GLU 12 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hye n GLY 12 N -0.04 0.16 3.67 0.62 0.00 -1.26 -5.12 105.19 103.21 3hye n GLY 12 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3hye n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hye s ALA 12 N -0.13 3.63 -0.97 4.61 0.00 -1.26 -4.92 121.76 122.71 3hye s ALA 12 Ca 0.00 0.80 -0.25 0.00 0.00 0.00 0.00 51.96 52.51 3hye s ALA 12 Cb 0.00 -3.68 -0.10 0.00 0.00 0.00 0.00 23.12 19.34 3hye s ALA 12 CO 0.00 -1.24 2.07 -1.12 0.00 0.00 0.00 175.76 175.47 3hye s SER 12 N 2.68 4.61 0.00 0.00 0.01 -1.26 -3.80 113.70 115.95 3hye s SER 12 Ca 0.67 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 57.14 3hye s SER 12 Cb -0.30 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.36 3hye s SER 12 CO 0.25 -3.34 0.00 0.61 0.41 0.00 0.00 173.24 171.16 3hye n GLY 12 N 6.51 0.00 0.00 3.44 0.00 -1.26 -5.14 105.19 108.74 3hye n GLY 12 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3hye n GLY 12 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hye n GLU 12 N -0.03 0.00 -3.21 1.61 2.13 -1.25 -5.05 120.64 114.84 3hye n GLU 12 Ca 0.00 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.58 3hye n GLU 12 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 3hye n GLU 12 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3hye n GLU 125 N 0.00 1.48 -2.32 5.31 2.13 -1.26 -4.92 120.64 121.07 3hye n GLU 125 Ca 0.00 -3.78 -0.35 0.00 0.66 0.00 0.00 57.16 53.68 3hye n GLU 125 Cb 0.00 -1.68 -0.03 0.00 0.27 0.00 0.00 31.44 30.00 3hye n GLU 125 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 3hye s ARG 126 N -2.03 3.21 -0.68 5.31 3.03 -1.26 -4.91 118.95 121.62 3hye s ARG 126 Ca 0.39 -1.40 -0.19 0.00 2.03 0.00 0.00 55.73 56.56 3hye s ARG 126 Cb 0.22 -5.36 0.12 0.00 -1.03 0.00 0.00 34.95 28.90 3hye s ARG 126 CO -0.08 -3.05 0.82 -1.17 -1.13 0.00 0.00 175.30 170.69 3hye s LEU 127 N 7.58 5.34 -0.30 -1.89 2.96 -1.26 -3.85 118.68 127.26 3hye s LEU 127 Ca 0.60 -1.61 -0.16 0.00 -0.22 0.00 0.00 54.13 52.74 3hye s LEU 127 Cb 0.01 -2.32 0.17 0.00 0.50 0.00 0.00 46.19 44.54 3hye s LEU 127 CO 0.07 -1.10 1.05 -0.32 -1.32 0.00 0.00 176.35 174.74 3hye s MET 128 N 2.61 0.24 0.49 1.98 1.75 -1.25 -4.97 119.30 120.15 3hye s MET 128 Ca 0.17 0.58 0.27 0.00 -1.25 0.00 0.00 55.69 55.46 3hye s MET 128 Cb -0.19 0.33 1.25 0.00 2.84 0.00 0.00 34.83 39.06 3hye s MET 128 CO 0.03 -0.08 1.97 0.66 -0.65 0.00 0.00 175.02 176.94 3hye h SER 129 N 7.25 0.00 -5.16 1.11 4.64 -1.89 0.23 113.55 119.74 3hye h SER 129 Ca -0.16 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.12 3hye h SER 129 Cb 1.12 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.11 3hye h SER 129 CO 0.09 0.15 -0.07 0.00 -0.87 0.00 0.00 176.83 176.13 3hye s ARG 130 N -3.91 1.38 0.93 4.77 1.70 -1.26 -4.41 118.95 118.16 3hye s ARG 130 Ca -0.01 -1.02 -0.12 0.00 -0.47 0.00 0.00 55.73 54.11 3hye s ARG 130 Cb 0.11 0.48 0.15 0.00 -0.57 0.00 0.00 34.95 35.13 3hye s ARG 130 CO 0.60 -0.57 1.09 -2.14 -1.08 0.00 0.00 175.30 173.20 3hye s PRO 131 N -3.93 0.95 0.44 3.89 0.02 -1.26 -4.84 135.00 130.28 3hye s PRO 131 Ca 0.14 0.71 -0.23 0.00 0.02 0.00 0.00 61.00 61.64 3hye s PRO 131 Cb -0.00 -1.78 -0.08 0.00 0.02 0.00 0.00 34.50 32.65 3hye s PRO 131 CO 0.01 -2.42 1.07 -0.06 -0.33 0.00 0.00 177.00 175.27 3hye s PHE 132 N -2.94 3.09 -0.56 6.54 0.40 -1.26 -4.95 117.98 118.29 3hye s PHE 132 Ca 0.64 1.60 0.01 0.00 -0.60 0.00 0.00 56.93 58.58 3hye s PHE 132 Cb -0.18 -3.17 0.44 0.00 0.51 0.00 0.00 43.02 40.62 3hye s PHE 132 CO 0.57 -0.90 1.75 0.41 0.70 0.00 0.00 175.22 177.74 3hye n GLY 133 N 0.20 6.02 3.31 4.36 0.00 -1.26 -4.70 105.19 113.12 3hye n GLY 133 Ca 0.07 -2.45 -0.13 0.00 0.00 0.00 0.00 46.02 43.51 3hye n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hye s VAL 134 N -4.80 0.01 0.20 1.61 0.11 -1.26 0.45 120.40 116.71 3hye s VAL 134 Ca 0.59 -0.10 0.06 0.00 -2.93 0.00 0.00 61.98 59.61 3hye s VAL 134 Cb 0.47 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.67 3hye s VAL 134 CO -0.03 -0.05 0.13 0.00 -3.33 0.00 0.00 175.10 171.81 3hye s ALA 135 N -0.17 3.50 0.08 1.54 0.00 -0.55 -4.43 121.76 121.74 3hye s ALA 135 Ca -0.03 -1.33 0.05 0.00 0.00 0.00 0.00 51.96 50.65 3hye s ALA 135 Cb -0.03 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 3hye s ALA 135 CO 0.02 0.40 -0.14 -0.51 0.00 0.00 0.00 175.76 175.53 3hye s LEU 136 N -3.37 2.31 -0.30 0.00 1.43 -0.54 -2.01 118.68 116.20 3hye s LEU 136 Ca 0.31 -0.66 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 3hye s LEU 136 Cb -0.09 -0.50 0.04 0.00 0.03 0.00 0.00 46.19 45.67 3hye s LEU 136 CO 0.23 -0.10 0.00 -0.76 0.23 0.00 0.00 176.35 175.95 3hye s LEU 137 N -1.91 3.83 -0.25 1.79 1.43 0.11 -0.91 118.68 122.76 3hye s LEU 137 Ca 0.00 -1.20 -0.10 0.00 -1.03 0.00 0.00 54.13 51.81 3hye s LEU 137 Cb -0.09 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 3hye s LEU 137 CO 0.02 -0.25 0.15 -0.63 0.23 0.00 0.00 176.35 175.87 3hye s ILE 138 N 1.28 5.06 0.01 -0.59 1.09 0.48 -0.83 121.20 127.70 3hye s ILE 138 Ca -0.04 0.08 0.06 0.00 -1.10 0.00 0.00 60.65 59.64 3hye s ILE 138 Cb -0.19 -3.38 -0.02 0.00 -1.06 0.00 0.00 42.46 37.81 3hye s ILE 138 CO -0.01 0.31 -0.17 0.00 -0.10 0.00 0.00 174.94 174.97 3hye s ALA 139 N 1.43 1.46 0.00 9.38 0.00 -0.23 0.36 121.76 134.17 3hye s ALA 139 Ca 0.07 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.20 3hye s ALA 139 Cb -0.15 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.64 3hye s ALA 139 CO 0.07 0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.58 3hye n GLY 140 N 2.37 1.00 3.03 0.00 0.00 -0.23 -0.36 105.19 110.98 3hye n GLY 140 Ca -0.16 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 3hye n GLY 140 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3hye s HIS 141 N -4.37 0.09 0.03 1.61 2.46 -0.69 -0.23 115.29 114.18 3hye s HIS 141 Ca 0.00 -0.19 -0.21 0.00 0.47 0.00 0.00 55.06 55.13 3hye s HIS 141 Cb 0.00 -0.08 0.05 0.00 -0.13 0.00 0.00 32.58 32.42 3hye s HIS 141 CO 0.00 -0.20 0.48 0.16 -2.47 0.00 0.00 174.74 172.72 3hye s ASP 142 N -1.08 -0.39 0.53 9.88 3.84 -1.08 -4.79 116.67 123.57 3hye s ASP 142 Ca -0.12 0.18 0.24 0.00 -0.00 0.00 0.00 52.55 52.86 3hye s ASP 142 Cb -0.07 0.46 1.38 0.00 -1.38 0.00 0.00 42.92 43.30 3hye s ASP 142 CO 0.00 -0.66 2.00 0.00 -0.00 0.00 0.00 175.17 176.51 3hye h ALA 143 N 3.00 2.46 0.16 2.11 0.00 -1.99 0.21 119.26 125.21 3hye h ALA 143 Ca -0.30 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.28 3hye h ALA 143 Cb 1.20 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.03 3hye h ALA 143 CO 0.41 -0.61 -1.45 -0.44 0.00 0.00 0.00 179.25 177.16 3hye h ASP 144 N 0.02 0.51 0.00 0.00 5.19 -2.03 -3.39 116.42 116.73 3hye h ASP 144 Ca 0.25 -0.63 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 3hye h ASP 144 Cb 0.96 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.30 3hye h ASP 144 CO -0.01 1.51 -0.12 0.47 -3.12 0.00 0.00 179.24 177.96 3hye n ASP 14 N -3.54 1.49 0.00 6.45 9.92 -1.17 -5.12 116.55 124.59 3hye n ASP 14 Ca -0.15 -2.44 0.00 0.00 -0.53 0.00 0.00 54.79 51.67 3hye n ASP 14 Cb 1.05 -0.26 0.00 0.00 -0.64 0.00 0.00 41.12 41.27 3hye n ASP 14 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hye n GLY 145 N -0.79 1.54 3.73 0.44 0.00 0.71 -4.63 105.19 106.20 3hye n GLY 145 Ca 0.08 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 3hye n GLY 145 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hye s TYR 146 N 0.00 3.28 0.01 1.61 2.02 -1.26 -2.64 117.35 120.37 3hye s TYR 146 Ca 0.00 1.21 -0.03 0.00 -0.37 0.00 0.00 57.07 57.88 3hye s TYR 146 Cb 0.00 -3.59 -0.01 0.00 -0.40 0.00 0.00 41.96 37.96 3hye s TYR 146 CO 0.00 -1.84 0.04 -0.65 -1.57 0.00 0.00 175.55 171.53 3hye s GLN 147 N 0.07 0.40 -0.05 -0.62 -0.21 0.68 -4.96 119.66 114.96 3hye s GLN 147 Ca 0.57 -0.54 0.01 0.00 0.02 0.00 0.00 55.36 55.43 3hye s GLN 147 Cb -0.36 0.15 0.02 0.00 1.00 0.00 0.00 33.01 33.82 3hye s GLN 147 CO 0.37 -0.08 -0.07 -1.17 -2.12 0.00 0.00 175.29 172.21 3hye s LEU 148 N -1.48 1.44 0.06 2.90 2.96 -1.26 -1.07 118.68 122.23 3hye s LEU 148 Ca -0.15 -0.19 0.06 0.00 -0.22 0.00 0.00 54.13 53.63 3hye s LEU 148 Cb -0.08 -0.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.98 3hye s LEU 148 CO -0.00 -0.02 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.48 3hye s PHE 149 N 0.85 1.43 -0.30 5.38 0.08 0.16 -1.67 117.98 123.90 3hye s PHE 149 Ca -0.12 -0.40 -0.03 0.00 0.12 0.00 0.00 56.93 56.51 3hye s PHE 149 Cb -0.15 -0.82 0.04 0.00 -0.57 0.00 0.00 43.02 41.52 3hye s PHE 149 CO 0.01 0.08 0.01 -1.58 -0.10 0.00 0.00 175.22 173.65 3hye s HIS 150 N -1.01 3.24 -0.26 0.36 5.65 0.37 -0.39 115.29 123.25 3hye s HIS 150 Ca 0.03 -1.75 -0.10 0.00 0.25 0.00 0.00 55.06 53.49 3hye s HIS 150 Cb -0.09 -2.13 -0.04 0.00 -1.18 0.00 0.00 32.58 29.13 3hye s HIS 150 CO 0.02 -0.78 0.15 0.00 -0.65 0.00 0.00 174.74 173.48 3hye s ALA 151 N 1.29 3.43 0.29 1.58 0.00 -0.09 -1.96 121.76 126.30 3hye s ALA 151 Ca -0.04 -1.06 0.08 0.00 0.00 0.00 0.00 51.96 50.94 3hye s ALA 151 Cb -0.19 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 3hye s ALA 151 CO -0.01 -0.45 0.18 -1.21 0.00 0.00 0.00 175.76 174.27 3hye s GLU 152 N 1.56 2.69 0.00 0.00 2.02 -1.00 -1.47 118.70 122.50 3hye s GLU 152 Ca 0.07 -1.24 0.08 0.00 0.02 0.00 0.00 54.97 53.89 3hye s GLU 152 Cb -0.15 -2.42 0.41 0.00 0.10 0.00 0.00 34.13 32.07 3hye s GLU 152 CO 0.08 0.28 1.02 -2.30 0.02 0.00 0.00 175.26 174.35 3hye n PRO 153 N -1.18 0.17 0.15 0.39 -0.02 -1.26 -1.31 135.00 131.93 3hye n PRO 153 Ca -0.05 0.12 0.06 0.00 -2.02 0.00 0.00 63.50 61.60 3hye n PRO 153 Cb 0.59 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.62 3hye n PRO 153 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hye h SER 154 N 0.00 0.00 0.00 2.55 4.64 -1.91 -3.40 113.55 115.43 3hye h SER 154 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hye h SER 154 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3hye h SER 154 CO 0.00 0.32 0.00 0.61 -0.87 0.00 0.00 176.83 176.89 3hye n GLY 155 N 1.20 1.99 3.87 -0.77 0.00 -0.43 -4.62 105.19 106.43 3hye n GLY 155 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3hye n GLY 155 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hye s THR 156 N -2.42 4.79 -0.01 2.61 -4.23 -1.26 -4.78 115.64 110.34 3hye s THR 156 Ca 0.00 0.67 -0.01 0.00 -1.18 0.00 0.00 61.69 61.17 3hye s THR 156 Cb 0.00 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.18 3hye s THR 156 CO 0.00 -0.28 0.02 0.72 -0.54 0.00 0.00 174.62 174.54 3hye s PHE 157 N -2.08 -0.02 0.10 3.99 -0.12 -1.26 -2.38 117.98 116.21 3hye s PHE 157 Ca 0.51 0.05 0.10 0.00 -0.05 0.00 0.00 56.93 57.55 3hye s PHE 157 Cb -0.10 0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.25 3hye s PHE 157 CO 0.24 -0.01 -0.27 0.71 -0.05 0.00 0.00 175.22 175.84 3hye s TYR 158 N 0.02 2.31 -0.10 3.49 2.02 -0.83 -4.92 117.35 119.35 3hye s TYR 158 Ca -0.00 -0.39 -0.13 0.00 -0.37 0.00 0.00 57.07 56.18 3hye s TYR 158 Cb -0.00 -1.30 -0.05 0.00 -0.40 0.00 0.00 41.96 40.21 3hye s TYR 158 CO -0.00 0.26 0.31 0.50 -1.57 0.00 0.00 175.55 175.05 3hye s ARG 159 N -1.77 3.98 0.14 -0.62 3.52 -1.26 -0.48 118.95 122.45 3hye s ARG 159 Ca 0.13 0.17 0.06 0.00 -0.13 0.00 0.00 55.73 55.96 3hye s ARG 159 Cb -0.10 -3.31 -0.04 0.00 -1.56 0.00 0.00 34.95 29.94 3hye s ARG 159 CO 0.05 0.50 -0.13 0.71 -0.81 0.00 0.00 175.30 175.62 3hye s TYR 160 N -0.36 1.40 0.03 5.12 1.51 -0.67 -4.99 117.35 119.39 3hye s TYR 160 Ca 0.19 -0.62 0.10 0.00 -1.01 0.00 0.00 57.07 55.73 3hye s TYR 160 Cb -0.14 -0.71 -0.22 0.00 -0.11 0.00 0.00 41.96 40.78 3hye s TYR 160 CO 0.07 0.16 0.93 -0.91 -1.11 0.00 0.00 175.55 174.69 3hye h ASN 161 N 3.15 0.01 -4.92 2.29 -0.26 -1.92 -3.37 115.58 110.57 3hye h ASN 161 Ca -0.38 -0.02 -0.07 0.00 -0.56 0.00 0.00 56.30 55.26 3hye h ASN 161 Cb 1.20 -0.00 -0.19 0.00 -1.06 0.00 0.00 38.32 38.26 3hye h ASN 161 CO 0.56 1.02 0.07 0.00 -1.06 0.00 0.00 177.43 178.02 3hye s ALA 162 N -2.65 -1.52 -0.22 -0.83 0.00 -1.26 -0.46 121.76 114.82 3hye s ALA 162 Ca -0.02 1.11 -0.27 0.00 0.00 0.00 0.00 51.96 52.78 3hye s ALA 162 Cb 0.09 -0.06 0.09 0.00 0.00 0.00 0.00 23.12 23.24 3hye s ALA 162 CO 0.82 -0.34 0.82 0.21 0.00 0.00 0.00 175.76 177.27 3hye s LYS 163 N -1.11 0.77 -0.04 0.00 2.47 -0.10 -4.99 119.74 116.75 3hye s LYS 163 Ca -0.11 0.68 0.05 0.00 -1.56 0.00 0.00 55.97 55.03 3hye s LYS 163 Cb -0.02 0.37 -0.01 0.00 -1.46 0.00 0.00 37.83 36.72 3hye s LYS 163 CO 0.08 -0.14 -0.17 0.00 0.16 0.00 0.00 175.35 175.27 3hye s ALA 164 N -0.09 1.53 0.09 3.13 0.00 -1.26 -0.68 121.76 124.49 3hye s ALA 164 Ca -0.01 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.27 3hye s ALA 164 Cb -0.04 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 3hye s ALA 164 CO 0.01 0.30 -0.10 0.96 0.00 0.00 0.00 175.76 176.93 3hye s ILE 165 N -0.08 0.95 0.00 0.00 -4.36 -0.19 -4.75 121.20 112.77 3hye s ILE 165 Ca -0.01 -1.60 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 3hye s ILE 165 Cb -0.10 -1.31 0.00 0.00 1.25 0.00 0.00 42.46 42.29 3hye s ILE 165 CO 0.01 -0.52 0.00 0.61 0.24 0.00 0.00 174.94 175.28 3hye n GLY 166 N 0.64 -1.34 0.28 6.27 0.00 -1.26 -0.75 105.19 109.03 3hye n GLY 166 Ca -0.17 -2.21 0.07 0.00 0.00 0.00 0.00 46.02 43.71 3hye n GLY 166 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hye h SER 167 N 0.00 -0.10 -0.86 1.61 4.64 -0.22 -2.05 113.55 116.57 3hye h SER 167 Ca 0.00 0.17 -0.48 0.00 -0.47 0.00 0.00 61.79 61.02 3hye h SER 167 Cb 0.00 0.26 -0.26 0.00 -0.31 0.00 0.00 62.40 62.09 3hye h SER 167 CO 0.00 -0.11 0.61 0.61 -0.87 0.00 0.00 176.83 177.07 3hye n GLY 168 N -1.38 4.43 0.18 -0.77 0.00 -1.26 -4.66 105.19 101.73 3hye n GLY 168 Ca 0.16 -1.17 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 3hye n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hye h SER 169 N 1.08 0.62 -0.64 1.61 4.64 -1.64 -0.32 113.55 118.90 3hye h SER 169 Ca 0.54 -0.53 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3hye h SER 169 Cb 2.21 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 64.09 3hye h SER 169 CO 1.05 1.03 0.42 1.05 -0.87 0.00 0.00 176.83 179.51 3hye h GLU 170 N 0.23 0.85 0.57 4.77 9.09 -1.84 0.32 114.58 128.57 3hye h GLU 170 Ca 0.01 -0.06 -0.03 0.00 0.05 0.00 0.00 59.36 59.34 3hye h GLU 170 Cb 0.91 -0.19 0.01 0.00 -1.65 0.00 0.00 28.75 27.83 3hye h GLU 170 CO 0.07 0.57 -0.28 0.78 0.05 0.00 0.00 179.01 180.21 3hye h GLY 171 N 0.87 -0.80 0.82 1.06 0.00 -1.91 -2.69 103.07 100.42 3hye h GLY 171 Ca 0.24 0.30 0.10 0.00 0.00 0.00 0.00 47.33 47.96 3hye h GLY 171 CO -0.05 -0.29 0.52 0.00 0.00 0.00 0.00 176.54 176.72 3hye h ALA 172 N -0.91 1.78 -0.58 3.60 0.00 -0.94 -1.69 119.26 120.52 3hye h ALA 172 Ca -0.08 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3hye h ALA 172 Cb 0.65 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3hye h ALA 172 CO 0.13 0.05 0.04 0.37 0.00 0.00 0.00 179.25 179.84 3hye h GLN 173 N 0.71 1.00 -0.80 0.00 5.75 -0.38 0.11 115.11 121.51 3hye h GLN 173 Ca 0.37 -0.30 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 3hye h GLN 173 Cb 0.48 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.88 3hye h GLN 173 CO -0.14 0.97 0.52 0.00 -2.65 0.00 0.00 178.83 177.53 3hye h ALA 174 N 0.99 1.03 0.16 3.38 0.00 -0.97 0.43 119.26 124.28 3hye h ALA 174 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3hye h ALA 174 Cb 0.49 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3hye h ALA 174 CO 0.02 0.37 -0.08 1.49 0.00 0.00 0.00 179.25 181.05 3hye h GLU 175 N 1.03 -0.21 -0.73 0.00 4.57 -0.95 -2.70 114.58 115.59 3hye h GLU 175 Ca 0.31 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.62 3hye h GLU 175 Cb -0.04 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.55 3hye h GLU 175 CO -0.09 -0.04 0.48 -0.07 -1.18 0.00 0.00 179.01 178.11 3hye h LEU 176 N -0.34 0.48 -0.53 1.64 3.38 -0.51 -0.30 115.31 119.13 3hye h LEU 176 Ca -0.02 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3hye h LEU 176 Cb 0.27 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 3hye h LEU 176 CO 0.04 0.27 0.26 0.25 0.09 0.00 0.00 178.44 179.35 3hye h LEU 177 N 0.53 0.37 0.00 1.67 7.12 -0.59 -1.26 115.31 123.15 3hye h LEU 177 Ca 0.34 0.03 -0.13 0.00 0.13 0.00 0.00 57.88 58.26 3hye h LEU 177 Cb 0.62 -0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.70 3hye h LEU 177 CO -0.12 0.25 -0.85 0.78 -0.13 0.00 0.00 178.44 178.37 3hye h ASN 178 N 0.50 0.00 1.04 1.25 2.35 -1.15 -3.36 115.58 116.20 3hye h ASN 178 Ca 0.24 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.91 3hye h ASN 178 Cb 0.16 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3hye h ASN 178 CO -0.17 0.52 -1.01 -0.33 -1.65 0.00 0.00 177.43 174.80 3hye h GLU 179 N 0.00 0.00 -6.35 0.81 4.39 -0.87 -3.47 114.58 109.08 3hye h GLU 179 Ca -0.06 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.10 3hye h GLU 179 Cb 1.45 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.07 3hye h GLU 179 CO 0.06 0.16 0.15 -0.46 -1.16 0.00 0.00 179.01 177.76 3hye s TRP 180 N -3.14 3.79 0.00 4.33 -0.00 -0.50 -5.06 118.94 118.36 3hye s TRP 180 Ca -0.00 1.50 0.00 0.00 -0.00 0.00 0.00 56.10 57.60 3hye s TRP 180 Cb 0.09 -2.78 0.00 0.00 -0.00 0.00 0.00 33.47 30.78 3hye s TRP 180 CO 0.78 0.37 0.00 -2.39 -0.00 0.00 0.00 176.95 175.71 3hye n HIS 18 N 2.36 0.00 -0.05 5.86 1.44 -1.26 -4.99 115.22 118.58 3hye n HIS 18 Ca -0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.67 3hye n HIS 18 Cb 0.50 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.61 3hye n HIS 18 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 3hye n SER 18 N 0.00 0.00 -4.76 4.39 3.41 -1.26 -4.97 113.62 110.43 3hye n SER 18 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 3hye n SER 18 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 3hye n SER 18 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hye s LEU 184 N 0.00 4.01 0.35 1.04 1.43 -1.26 -5.01 118.68 119.24 3hye s LEU 184 Ca 0.00 2.83 0.03 0.00 -1.03 0.00 0.00 54.13 55.96 3hye s LEU 184 Cb 0.00 -4.08 -0.02 0.00 0.03 0.00 0.00 46.19 42.12 3hye s LEU 184 CO 0.00 -1.31 0.53 0.42 0.23 0.00 0.00 176.35 176.21 3hye s THR 185 N -1.25 4.61 0.29 5.49 -4.23 -1.26 -4.42 115.64 114.85 3hye s THR 185 Ca 0.65 -0.69 0.01 0.00 -1.18 0.00 0.00 61.69 60.47 3hye s THR 185 Cb -0.42 -3.66 0.28 0.00 1.34 0.00 0.00 72.50 70.05 3hye s THR 185 CO 0.52 -0.36 1.87 0.25 -0.54 0.00 0.00 174.62 176.36 3hye h LEU 186 N 0.77 0.94 -0.65 4.79 5.85 -1.93 -0.51 115.31 124.57 3hye h LEU 186 Ca -0.48 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.17 3hye h LEU 186 Cb 1.24 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 3hye h LEU 186 CO 0.58 0.55 -0.00 0.11 -0.34 0.00 0.00 178.44 179.34 3hye h LYS 187 N 1.04 1.05 -0.56 1.25 1.57 -1.97 -1.27 116.57 117.68 3hye h LYS 187 Ca 0.45 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3hye h LYS 187 Cb 0.34 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3hye h LYS 187 CO -0.20 1.03 0.22 0.93 -0.57 0.00 0.00 179.45 180.85 3hye h GLU 188 N 0.96 0.84 -0.30 3.15 5.08 -1.69 -1.97 114.58 120.64 3hye h GLU 188 Ca 0.17 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3hye h GLU 188 Cb 0.55 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3hye h GLU 188 CO 0.03 0.73 0.19 0.00 -1.00 0.00 0.00 179.01 178.96 3hye h ALA 189 N 1.07 0.38 0.21 3.43 0.00 -0.86 0.09 119.26 123.58 3hye h ALA 189 Ca 0.19 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3hye h ALA 189 Cb 0.21 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3hye h ALA 189 CO -0.01 -0.17 -0.31 0.93 0.00 0.00 0.00 179.25 179.69 3hye h GLU 190 N 0.39 -0.57 -0.95 0.00 5.08 -0.96 0.17 114.58 117.75 3hye h GLU 190 Ca 0.11 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.57 3hye h GLU 190 Cb -0.03 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 3hye h GLU 190 CO -0.04 -0.38 0.61 -0.07 -1.00 0.00 0.00 179.01 178.13 3hye h LEU 191 N -0.59 0.99 -0.41 1.33 4.07 -1.26 -0.39 115.31 119.05 3hye h LEU 191 Ca 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 3hye h LEU 191 Cb 0.58 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.09 3hye h LEU 191 CO -0.13 0.65 0.22 0.25 -1.08 0.00 0.00 178.44 178.36 3hye h LEU 192 N 1.13 0.52 -0.51 1.67 5.85 -0.34 0.14 115.31 123.76 3hye h LEU 192 Ca 0.40 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.97 3hye h LEU 192 Cb 0.10 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3hye h LEU 192 CO -0.15 0.46 0.10 0.58 -0.34 0.00 0.00 178.44 179.09 3hye h VAL 193 N 0.53 1.25 -0.97 1.05 2.07 -0.16 -1.87 116.25 118.16 3hye h VAL 193 Ca 0.15 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.76 3hye h VAL 193 Cb 0.06 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 3hye h VAL 193 CO -0.02 0.33 0.64 0.25 0.02 0.00 0.00 177.57 178.78 3hye h LEU 194 N 0.73 1.12 0.13 2.57 5.85 -0.70 -1.56 115.31 123.44 3hye h LEU 194 Ca 0.16 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3hye h LEU 194 Cb 0.38 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3hye h LEU 194 CO 0.01 0.81 -0.06 0.50 -0.34 0.00 0.00 178.44 179.35 3hye h LYS 195 N 1.31 -0.17 -0.77 1.25 3.64 -0.47 -2.44 116.57 118.92 3hye h LYS 195 Ca 0.35 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.73 3hye h LYS 195 Cb -0.15 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 3hye h LYS 195 CO -0.08 0.18 0.42 0.82 -2.27 0.00 0.00 179.45 178.52 3hye h ILE 196 N -0.54 1.23 -0.74 2.00 2.04 -1.26 -1.32 117.51 118.91 3hye h ILE 196 Ca -0.02 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3hye h ILE 196 Cb 0.43 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 3hye h ILE 196 CO 0.03 0.25 0.46 -0.07 0.00 0.00 0.00 178.15 178.83 3hye h LEU 197 N 1.07 0.87 -1.13 1.44 3.38 -1.29 -2.10 115.31 117.55 3hye h LEU 197 Ca 0.27 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3hye h LEU 197 Cb 0.02 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3hye h LEU 197 CO -0.04 0.66 0.40 0.50 0.09 0.00 0.00 178.44 180.04 3hye h LYS 198 N 1.01 0.99 -0.43 1.13 3.64 -0.82 0.25 116.57 122.35 3hye h LYS 198 Ca 0.27 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.40 3hye h LYS 198 Cb -0.07 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.54 3hye h LYS 198 CO -0.05 0.73 -0.29 1.96 -2.27 0.00 0.00 179.45 179.53 3hye h GLN 199 N 1.00 0.93 0.00 1.90 4.20 -0.63 -3.31 115.11 119.20 3hye h GLN 199 Ca 0.26 -0.43 0.00 0.00 0.06 0.00 0.00 58.65 58.54 3hye h GLN 199 Cb 0.02 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3hye h GLN 199 CO -0.04 1.09 -1.16 1.33 -0.67 0.00 0.00 178.83 179.38 3hye n VAL 200 N -4.09 0.36 -2.28 -0.54 0.24 -0.90 -4.93 118.33 106.19 3hye n VAL 200 Ca -0.01 -0.43 -0.41 0.00 -2.04 0.00 0.00 64.34 61.45 3hye n VAL 200 Cb 0.49 -0.10 -0.03 0.00 -1.47 0.00 0.00 33.84 32.73 3hye n VAL 200 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3hye s MET 201 N -3.33 4.44 0.17 7.34 -1.94 0.06 -4.80 119.30 121.24 3hye s MET 201 Ca -0.00 1.99 -0.11 0.00 -1.71 0.00 0.00 55.69 55.85 3hye s MET 201 Cb 0.12 -3.20 0.07 0.00 2.01 0.00 0.00 34.83 33.83 3hye s MET 201 CO 0.81 -0.16 1.70 0.93 -0.01 0.00 0.00 175.02 178.28 3hye h GLU 202 N 5.10 0.94 -7.35 2.03 4.39 -1.90 -3.44 114.58 114.35 3hye h GLU 202 Ca -0.45 -0.21 -0.50 0.00 0.34 0.00 0.00 59.36 58.54 3hye h GLU 202 Cb 1.21 -0.13 0.07 0.00 -0.10 0.00 0.00 28.75 29.80 3hye h GLU 202 CO 0.75 0.85 0.36 -1.21 -1.16 0.00 0.00 179.01 178.59 3hye s GLU 205 N -5.37 3.15 -0.35 2.33 0.41 -1.26 -5.00 118.70 112.60 3hye s GLU 205 Ca -0.13 0.47 -0.29 0.00 -0.41 0.00 0.00 54.97 54.61 3hye s GLU 205 Cb 0.13 -2.10 0.02 0.00 -1.78 0.00 0.00 34.13 30.40 3hye s GLU 205 CO 0.81 -0.78 1.07 0.21 -0.49 0.00 0.00 175.26 176.08 3hye s LYS 206 N -5.21 4.00 0.14 1.61 2.20 -1.26 -4.96 119.74 116.26 3hye s LYS 206 Ca 0.56 0.96 -0.33 0.00 -0.36 0.00 0.00 55.97 56.80 3hye s LYS 206 Cb -0.11 -3.77 -0.12 0.00 -1.51 0.00 0.00 37.83 32.32 3hye s LYS 206 CO 0.51 -0.98 1.72 -0.11 -0.36 0.00 0.00 175.35 176.13 3hye n LEU 207 N 7.01 3.62 -4.17 5.43 0.00 -1.26 -4.96 117.00 122.67 3hye n LEU 207 Ca 0.12 1.04 -0.16 0.00 0.00 0.00 0.00 56.01 57.01 3hye n LEU 207 Cb 0.47 -1.49 -0.06 0.00 0.00 0.00 0.00 43.42 42.34 3hye n LEU 207 CO 0.61 -0.02 0.01 1.51 0.00 0.00 0.00 177.39 179.51 3hye s ASP 208 N 1.77 1.08 0.00 1.96 -4.77 -1.26 -5.05 116.67 110.40 3hye s ASP 208 Ca 0.80 -1.56 -0.01 0.00 -3.30 0.00 0.00 52.55 48.48 3hye s ASP 208 Cb -0.58 0.60 -0.05 0.00 -1.09 0.00 0.00 42.92 41.79 3hye s ASP 208 CO 0.38 -1.16 1.42 -1.84 0.70 0.00 0.00 175.17 174.66 3hye n GLU 209 N -0.55 0.70 0.00 2.11 0.00 -1.26 -3.17 120.64 118.47 3hye n GLU 209 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 57.16 57.01 3hye n GLU 209 Cb 0.62 -1.42 0.00 0.00 0.00 0.00 0.00 31.44 30.64 3hye n GLU 209 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 3hye n ASN 20 N 2.09 0.00 -3.80 -1.84 0.23 -1.26 -4.75 115.26 105.93 3hye n ASN 20 Ca 0.08 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 54.01 3hye n ASN 20 Cb 0.34 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.95 3hye n ASN 20 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hye s ALA 210 N 0.00 -0.57 -0.06 -2.53 0.00 -1.19 -0.13 121.76 117.27 3hye s ALA 210 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 51.96 51.93 3hye s ALA 210 Cb 0.00 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.32 3hye s ALA 210 CO 0.00 -0.30 0.16 -1.14 0.00 0.00 0.00 175.76 174.48 3hye s GLN 211 N -1.88 0.18 0.31 0.00 0.74 -0.78 -4.89 119.66 113.35 3hye s GLN 211 Ca -0.10 0.24 0.09 0.00 0.05 0.00 0.00 55.36 55.64 3hye s GLN 211 Cb -0.04 0.07 -0.05 0.00 1.10 0.00 0.00 33.01 34.10 3hye s GLN 211 CO 0.00 -0.03 0.05 -0.51 -0.55 0.00 0.00 175.29 174.25 3hye s LEU 212 N 0.18 3.16 0.10 3.68 1.43 -1.26 -1.59 118.68 124.39 3hye s LEU 212 Ca -0.01 -0.77 -0.26 0.00 -1.03 0.00 0.00 54.13 52.05 3hye s LEU 212 Cb -0.02 -1.63 0.08 0.00 0.03 0.00 0.00 46.19 44.64 3hye s LEU 212 CO -0.00 -0.16 0.98 -0.94 0.23 0.00 0.00 176.35 176.46 3hye s SER 213 N -3.74 -0.20 0.34 2.29 1.04 -0.47 -1.04 113.70 111.92 3hye s SER 213 Ca 0.34 -0.30 -0.17 0.00 0.48 0.00 0.00 55.95 56.31 3hye s SER 213 Cb -0.04 0.43 0.04 0.00 0.10 0.00 0.00 66.02 66.56 3hye s SER 213 CO 0.21 -0.78 0.74 0.00 0.98 0.00 0.00 173.24 174.38 3hye s ILE 215 N -2.97 -0.14 0.07 0.00 -1.16 -0.70 -0.90 121.20 115.39 3hye s ILE 215 Ca 0.15 0.25 0.06 0.00 -0.51 0.00 0.00 60.65 60.60 3hye s ILE 215 Cb -0.05 -0.26 -0.03 0.00 0.61 0.00 0.00 42.46 42.73 3hye s ILE 215 CO 0.10 0.11 -0.16 0.42 -2.81 0.00 0.00 174.94 172.60 3hye s THR 216 N 1.63 1.27 0.25 4.00 -4.23 -1.12 -2.21 115.64 115.24 3hye s THR 216 Ca -0.04 -1.25 -0.02 0.00 -1.18 0.00 0.00 61.69 59.19 3hye s THR 216 Cb -0.12 -1.18 0.23 0.00 1.34 0.00 0.00 72.50 72.77 3hye s THR 216 CO -0.06 -0.09 1.78 0.50 -0.54 0.00 0.00 174.62 176.21 3hye h LYS 217 N 4.49 0.65 0.03 3.99 3.64 -1.90 0.79 116.57 128.26 3hye h LYS 217 Ca -0.41 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3hye h LYS 217 Cb 1.18 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3hye h LYS 217 CO 0.41 0.43 -0.02 0.37 -2.27 0.00 0.00 179.45 178.38 3hye h GLN 218 N 0.67 -0.04 -0.01 1.90 4.15 -1.98 -3.36 115.11 116.43 3hye h GLN 218 Ca 0.43 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.86 3hye h GLN 218 Cb 0.55 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.25 3hye h GLN 218 CO -0.32 0.29 -0.01 -0.25 -1.93 0.00 0.00 178.83 176.61 3hye n ASP 219 N -4.95 1.84 -0.12 -0.69 9.92 -1.11 -5.11 116.55 116.33 3hye n ASP 219 Ca -0.08 -1.42 0.00 0.00 -0.53 0.00 0.00 54.79 52.76 3hye n ASP 219 Cb 0.19 0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.68 3hye n ASP 219 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hye n GLY 220 N 0.59 -0.64 3.68 0.44 0.00 0.27 -4.75 105.19 104.78 3hye n GLY 220 Ca 0.06 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 3hye n GLY 220 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hye s PHE 221 N 0.00 2.92 -0.02 1.61 2.19 0.28 -2.78 117.98 122.19 3hye s PHE 221 Ca 0.00 0.98 0.02 0.00 0.33 0.00 0.00 56.93 58.26 3hye s PHE 221 Cb 0.00 -3.54 0.00 0.00 -1.31 0.00 0.00 43.02 38.17 3hye s PHE 221 CO 0.00 -1.90 -0.07 0.15 1.83 0.00 0.00 175.22 175.22 3hye s LYS 222 N 2.73 0.72 -0.25 10.12 -0.14 -0.08 -5.00 119.74 127.84 3hye s LYS 222 Ca 0.59 -0.25 -0.12 0.00 -1.36 0.00 0.00 55.97 54.84 3hye s LYS 222 Cb -0.26 -0.69 -0.05 0.00 -1.68 0.00 0.00 37.83 35.15 3hye s LYS 222 CO 0.22 0.11 0.21 0.42 -0.76 0.00 0.00 175.35 175.55 3hye s ILE 223 N 0.09 5.31 0.02 2.17 1.01 -1.26 -1.72 121.20 126.82 3hye s ILE 223 Ca -0.01 0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.61 3hye s ILE 223 Cb -0.06 -3.55 -0.07 0.00 0.01 0.00 0.00 42.46 38.79 3hye s ILE 223 CO -0.00 0.30 1.56 -0.31 0.00 0.00 0.00 174.94 176.48 3hye s TYR 224 N 1.33 2.51 0.79 3.97 4.12 -0.21 -4.98 117.35 124.88 3hye s TYR 224 Ca 0.09 0.49 -0.11 0.00 0.02 0.00 0.00 57.07 57.57 3hye s TYR 224 Cb -0.14 -3.84 0.06 0.00 -1.52 0.00 0.00 41.96 36.52 3hye s TYR 224 CO 0.07 -3.32 1.09 0.16 0.02 0.00 0.00 175.55 173.57 3hye s ASP 225 N 2.35 4.40 0.21 2.29 -4.77 -1.26 -4.59 116.67 115.30 3hye s ASP 225 Ca 0.70 1.76 -0.11 0.00 -3.30 0.00 0.00 52.55 51.60 3hye s ASP 225 Cb -0.35 -2.47 0.27 0.00 -1.09 0.00 0.00 42.92 39.28 3hye s ASP 225 CO 0.29 -2.09 1.68 0.78 0.70 0.00 0.00 175.17 176.53 3hye h ASN 226 N -1.17 -0.17 -0.53 2.11 -0.26 -1.94 -2.28 115.58 111.33 3hye h ASN 226 Ca -0.44 0.13 0.10 0.00 -0.56 0.00 0.00 56.30 55.53 3hye h ASN 226 Cb 1.24 0.22 -0.08 0.00 -1.06 0.00 0.00 38.32 38.64 3hye h ASN 226 CO 0.52 -0.07 0.09 -0.33 -1.06 0.00 0.00 177.43 176.58 3hye h GLU 227 N 0.16 0.22 -0.71 0.81 3.07 -1.92 0.76 114.58 116.96 3hye h GLU 227 Ca 0.30 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.18 3hye h GLU 227 Cb 0.48 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.30 3hye h GLU 227 CO -0.46 0.14 0.45 -0.22 -1.40 0.00 0.00 179.01 177.52 3hye h LYS 228 N 0.22 0.87 -0.21 2.33 3.64 -1.78 -2.89 116.57 118.76 3hye h LYS 228 Ca 0.27 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.41 3hye h LYS 228 Cb 0.39 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3hye h LYS 228 CO -0.37 0.58 -0.61 1.15 -2.27 0.00 0.00 179.45 177.93 3hye h THR 229 N 0.90 1.29 -0.60 1.00 2.02 -1.13 -3.08 112.91 113.30 3hye h THR 229 Ca 0.28 -1.82 0.12 0.00 0.77 0.00 0.00 66.41 65.77 3hye h THR 229 Cb -0.01 1.86 -0.10 0.00 -1.74 0.00 0.00 68.15 68.15 3hye h THR 229 CO -0.10 0.58 0.02 0.00 0.37 0.00 0.00 175.52 176.39 3hye h ALA 230 N 0.60 0.61 -0.83 6.16 0.00 -0.71 0.29 119.26 125.37 3hye h ALA 230 Ca -0.02 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3hye h ALA 230 Cb 1.23 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 3hye h ALA 230 CO 0.13 -0.38 0.55 0.93 0.00 0.00 0.00 179.25 180.48 3hye h GLU 231 N 0.13 1.09 -0.00 0.00 5.08 -1.52 -0.30 114.58 119.06 3hye h GLU 231 Ca 0.31 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.56 3hye h GLU 231 Cb 0.50 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3hye h GLU 231 CO -0.50 0.72 -0.24 -0.07 -1.00 0.00 0.00 179.01 177.92 3hye h LEU 232 N 1.12 0.00 0.30 1.33 3.38 -0.70 0.10 115.31 120.83 3hye h LEU 232 Ca 0.31 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 3hye h LEU 232 Cb -0.11 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3hye h LEU 232 CO -0.07 0.24 -0.14 0.40 0.09 0.00 0.00 178.44 178.95 3hye h ILE 233 N 0.00 0.74 -0.49 1.22 1.08 0.10 -2.04 117.51 118.13 3hye h ILE 233 Ca -0.00 -0.48 0.09 0.00 -0.39 0.00 0.00 64.86 64.08 3hye h ILE 233 Cb 0.42 0.99 -0.07 0.00 -3.07 0.00 0.00 36.82 35.09 3hye h ILE 233 CO 0.03 0.10 0.05 0.50 -0.69 0.00 0.00 178.15 178.14 3hye h LYS 235 N -0.66 0.17 -0.10 2.37 3.64 -0.77 0.01 116.57 121.24 3hye h LYS 235 Ca -0.04 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3hye h LYS 235 Cb 0.46 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3hye h LYS 235 CO 0.07 0.11 0.07 1.49 -2.27 0.00 0.00 179.45 178.92 3hye h GLU 236 N 0.18 0.03 0.01 1.90 4.81 -0.91 -1.67 114.58 118.93 3hye h GLU 236 Ca 0.25 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.35 3hye h GLU 236 Cb 0.35 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.73 3hye h GLU 236 CO -0.36 0.02 -0.48 1.25 -0.73 0.00 0.00 179.01 178.72 3hye h LEU 237 N 0.03 0.40 -0.75 1.64 7.12 -0.29 -2.38 115.31 121.08 3hye h LEU 237 Ca 0.04 -0.79 0.08 0.00 0.13 0.00 0.00 57.88 57.35 3hye h LEU 237 Cb 0.14 -0.12 -0.07 0.00 -0.53 0.00 0.00 40.66 40.08 3hye h LEU 237 CO -0.00 1.14 0.42 0.50 -0.13 0.00 0.00 178.44 180.36 3hye h LYS 238 N -0.29 0.70 -0.36 1.25 3.64 -0.71 -0.78 116.57 120.02 3hye h LYS 238 Ca -0.06 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 3hye h LYS 238 Cb 1.22 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 3hye h LYS 238 CO 0.09 0.47 0.09 0.93 -2.27 0.00 0.00 179.45 178.76 3hye h GLU 239 N 0.73 0.57 0.00 1.90 5.08 -1.36 -1.14 114.58 120.36 3hye h GLU 239 Ca 0.35 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 3hye h GLU 239 Cb 0.30 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3hye h GLU 239 CO -0.23 0.62 -0.34 0.87 -1.00 0.00 0.00 179.01 178.93 3hye h LYS 240 N 0.43 0.00 -0.03 2.33 1.57 -0.86 -2.05 116.57 117.96 3hye h LYS 240 Ca 0.11 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 3hye h LYS 240 Cb 0.30 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.62 3hye h LYS 240 CO 0.00 0.34 -0.31 0.93 -0.57 0.00 0.00 179.45 179.84 3hye h GLU 241 N 0.00 0.26 0.00 3.15 5.08 -0.96 -3.10 114.58 119.02 3hye h GLU 241 Ca -0.00 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3hye h GLU 241 Cb 0.62 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3hye h GLU 241 CO 0.04 0.92 0.00 0.00 -1.00 0.00 0.00 179.01 178.98 3hye h ALA 242 N 0.34 1.00 0.00 3.43 0.00 -1.12 -2.13 119.26 120.78 3hye h ALA 242 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hye h ALA 242 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3hye h ALA 242 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.31 3hye n ALA 243 N -1.80 2.29 0.00 0.00 0.00 -0.78 -5.08 120.51 115.14 3hye n ALA 243 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3hye n ALA 243 Cb 0.15 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.24 3hye n ALA 243 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89