#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g1q n LYS 28 N 0.00 1.37 -0.71 -1.46 5.02 -1.26 -2.01 118.16 119.11 3g1q n LYS 28 Ca 0.00 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 3g1q n LYS 28 Cb 0.00 -2.01 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 3g1q n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3g1q n GLY 29 N 1.97 1.22 1.16 0.72 0.00 0.10 -5.01 105.19 105.35 3g1q n GLY 29 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 3g1q n GLY 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g1q n LYS 30 N -2.00 1.07 -1.98 1.61 5.02 -0.85 -4.49 118.16 116.54 3g1q n LYS 30 Ca 0.00 -0.99 -0.33 0.00 -2.02 0.00 0.00 58.31 54.97 3g1q n LYS 30 Cb 0.00 0.02 0.02 0.00 -0.02 0.00 0.00 35.03 35.05 3g1q n LYS 30 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3g1q s LEU 31 N 0.00 3.48 0.93 -0.35 1.43 -1.26 -1.05 118.68 121.86 3g1q s LEU 31 Ca 0.14 1.87 -0.12 0.00 -1.03 0.00 0.00 54.13 54.99 3g1q s LEU 31 Cb -0.01 -4.54 0.09 0.00 0.03 0.00 0.00 46.19 41.76 3g1q s LEU 31 CO 0.09 -1.28 0.74 -2.65 0.23 0.00 0.00 176.35 173.47 3g1q n PRO 32 N -2.11 -0.35 -1.89 1.29 -0.02 -1.26 -4.75 135.00 125.91 3g1q n PRO 32 Ca 0.09 -0.05 -0.39 0.00 -2.02 0.00 0.00 63.50 61.13 3g1q n PRO 32 Cb 0.53 -2.09 0.01 0.00 -0.02 0.00 0.00 33.50 31.93 3g1q n PRO 32 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3g1q s PRO 33 N -4.07 3.67 -0.18 0.52 0.04 -1.26 -4.72 135.00 129.00 3g1q s PRO 33 Ca 0.62 2.29 -0.10 0.00 0.04 0.00 0.00 61.00 63.84 3g1q s PRO 33 Cb -0.22 -2.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.67 3g1q s PRO 33 CO 0.63 -0.78 0.16 0.08 0.04 0.00 0.00 177.00 177.13 3g1q s VAL 34 N -1.25 5.40 -0.06 -0.36 1.01 -1.26 -1.44 120.40 122.43 3g1q s VAL 34 Ca 0.62 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.58 3g1q s VAL 34 Cb -0.41 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 3g1q s VAL 34 CO 0.52 0.45 0.95 -0.47 0.00 0.00 0.00 175.10 176.55 3g1q s TYR 35 N 0.19 3.58 0.44 5.22 5.04 -0.10 -4.94 117.35 126.79 3g1q s TYR 35 Ca 0.11 1.58 -0.25 0.00 -2.44 0.00 0.00 57.07 56.06 3g1q s TYR 35 Cb -0.12 -3.10 -0.09 0.00 0.35 0.00 0.00 41.96 39.01 3g1q s TYR 35 CO 0.00 -0.09 1.32 -2.30 -1.34 0.00 0.00 175.55 173.15 3g1q n PRO 36 N 4.36 2.01 -3.69 4.97 -0.02 -1.26 -4.84 135.00 136.53 3g1q n PRO 36 Ca 0.06 0.72 -0.36 0.00 -2.02 0.00 0.00 63.50 61.90 3g1q n PRO 36 Cb 0.50 -2.47 -0.07 0.00 -0.02 0.00 0.00 33.50 31.44 3g1q n PRO 36 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3g1q s VAL 37 N -1.20 5.38 -0.14 -1.45 1.01 -1.26 -5.00 120.40 117.74 3g1q s VAL 37 Ca 0.62 0.32 0.07 0.00 0.00 0.00 0.00 61.98 62.99 3g1q s VAL 37 Cb -0.48 -3.51 -0.14 0.00 0.00 0.00 0.00 36.38 32.25 3g1q s VAL 37 CO 0.57 0.46 -0.03 0.41 0.00 0.00 0.00 175.10 176.51 3g1q n THR 38 N 3.22 0.90 -3.48 3.92 -1.04 -1.26 -4.96 114.28 111.58 3g1q n THR 38 Ca -0.15 -0.46 -0.40 0.00 -2.04 0.00 0.00 64.05 61.00 3g1q n THR 38 Cb 0.52 -0.84 -0.10 0.00 -1.82 0.00 0.00 70.33 68.10 3g1q n THR 38 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3g1q s VAL 39 N -2.31 5.24 0.20 12.58 1.01 -1.26 -5.03 120.40 130.82 3g1q s VAL 39 Ca -0.13 0.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.67 3g1q s VAL 39 Cb 0.05 -3.72 0.12 0.00 0.00 0.00 0.00 36.38 32.83 3g1q s VAL 39 CO 0.46 0.03 1.55 -0.65 0.00 0.00 0.00 175.10 176.49 3g1q h PRO 40 N 8.42 -0.01 0.00 2.72 0.10 -1.92 -2.21 132.00 139.10 3g1q h PRO 40 Ca -0.31 0.00 -0.12 0.00 0.10 0.00 0.00 66.00 65.67 3g1q h PRO 40 Cb 1.16 0.00 -0.02 0.00 0.10 0.00 0.00 31.00 32.24 3g1q h PRO 40 CO 0.64 -0.01 -1.54 -0.89 0.10 0.00 0.00 178.00 176.30 3g1q n ILE 41 N -5.39 0.45 0.05 4.15 5.41 -1.26 -4.53 119.36 118.23 3g1q n ILE 41 Ca 0.07 -0.32 -0.08 0.00 1.00 0.00 0.00 62.75 63.42 3g1q n ILE 41 Cb 0.35 -0.52 -0.12 0.00 -0.71 0.00 0.00 39.64 38.63 3g1q n ILE 41 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3g1q h LEU 42 N 0.00 0.02 0.00 1.39 3.38 -1.93 -3.35 115.31 114.82 3g1q h LEU 42 Ca -0.18 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3g1q h LEU 42 Cb 1.26 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3g1q h LEU 42 CO 0.01 1.02 0.00 0.61 0.09 0.00 0.00 178.44 180.17 3g1q n GLY 43 N 1.40 3.02 1.04 0.83 0.00 -0.83 -0.80 105.19 109.84 3g1q n GLY 43 Ca -0.03 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.90 3g1q n GLY 43 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3g1q n HIS 44 N 13.59 0.31 -0.20 1.61 8.25 0.20 -4.45 115.22 134.54 3g1q n HIS 44 Ca 0.00 -0.15 0.09 0.00 -0.26 0.00 0.00 57.72 57.40 3g1q n HIS 44 Cb 0.00 0.00 0.38 0.00 1.12 0.00 0.00 29.99 31.49 3g1q n HIS 44 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 3g1q h ILE 45 N 4.35 0.94 0.00 1.59 3.07 -1.68 0.14 117.51 125.93 3g1q h ILE 45 Ca 0.00 -0.23 -0.07 0.00 1.55 0.00 0.00 64.86 66.11 3g1q h ILE 45 Cb 0.95 0.20 0.01 0.00 -0.27 0.00 0.00 36.82 37.70 3g1q h ILE 45 CO 0.00 0.12 -0.26 0.40 -1.05 0.00 0.00 178.15 177.37 3g1q h ILE 46 N 0.68 1.55 -0.82 0.16 5.03 -1.86 -0.95 117.51 121.31 3g1q h ILE 46 Ca 0.35 -1.98 0.04 0.00 -0.12 0.00 0.00 64.86 63.15 3g1q h ILE 46 Cb 0.45 2.80 -0.05 0.00 -3.03 0.00 0.00 36.82 36.99 3g1q h ILE 46 CO -0.13 0.54 0.52 1.56 -0.68 0.00 0.00 178.15 179.96 3g1q h GLN 47 N -0.51 0.97 0.27 2.37 4.20 -1.79 -1.00 115.11 119.63 3g1q h GLN 47 Ca -0.03 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 3g1q h GLN 47 Cb 1.03 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.59 3g1q h GLN 47 CO 0.05 0.64 -0.13 0.35 -0.67 0.00 0.00 178.83 179.07 3g1q h PHE 48 N 1.00 -0.34 -0.90 2.96 3.57 -0.73 -2.96 116.94 119.53 3g1q h PHE 48 Ca 0.33 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.97 3g1q h PHE 48 Cb 0.03 0.11 -0.07 0.00 2.79 0.00 0.00 35.95 38.81 3g1q h PHE 48 CO -0.03 -0.20 0.58 0.78 -2.23 0.00 0.00 178.31 177.21 3g1q h GLY 49 N -0.39 1.25 1.74 2.40 0.00 -0.90 0.05 103.07 107.23 3g1q h GLY 49 Ca -0.04 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 3g1q h GLY 49 CO 0.06 0.09 -0.23 0.50 0.00 0.00 0.00 176.54 176.96 3g1q h LYS 50 N 0.72 0.31 -0.89 4.80 1.57 -1.12 -3.41 116.57 118.54 3g1q h LYS 50 Ca 0.46 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 59.06 3g1q h LYS 50 Cb 0.71 -0.03 -0.17 0.00 0.08 0.00 0.00 32.23 32.82 3g1q h LYS 50 CO -0.21 0.53 -0.42 0.45 -0.57 0.00 0.00 179.45 179.22 3g1q s SER 51 N -6.85 -1.33 0.23 0.86 0.15 -1.12 -5.05 113.70 100.59 3g1q s SER 51 Ca -0.06 -1.13 -0.07 0.00 0.70 0.00 0.00 55.95 55.39 3g1q s SER 51 Cb 0.14 1.72 0.21 0.00 -1.71 0.00 0.00 66.02 66.39 3g1q s SER 51 CO 0.76 -0.10 1.88 -0.65 1.20 0.00 0.00 173.24 176.33 3g1q h PRO 52 N 5.83 1.22 -0.01 5.44 0.11 -1.23 -0.02 132.00 143.34 3g1q h PRO 52 Ca 0.04 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 3g1q h PRO 52 Cb 1.15 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3g1q h PRO 52 CO 0.03 0.85 -0.02 1.25 -0.21 0.00 0.00 178.00 179.91 3g1q h LEU 53 N 1.24 0.03 -0.72 2.35 5.85 -1.96 -2.24 115.31 119.86 3g1q h LEU 53 Ca 0.32 -0.62 0.01 0.00 0.84 0.00 0.00 57.88 58.43 3g1q h LEU 53 Cb -0.05 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3g1q h LEU 53 CO -0.06 0.64 0.47 1.23 -0.34 0.00 0.00 178.44 180.38 3g1q h GLY 54 N -0.58 1.02 0.69 3.75 0.00 -1.94 -0.96 103.07 105.05 3g1q h GLY 54 Ca -0.00 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 46.95 3g1q h GLY 54 CO 0.00 0.38 -0.22 -2.75 0.00 0.00 0.00 176.54 173.95 3g1q h PHE 55 N 0.98 -0.59 -0.90 5.60 3.57 -1.04 -1.42 116.94 123.13 3g1q h PHE 55 Ca 0.26 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.77 3g1q h PHE 55 Cb -0.10 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 3g1q h PHE 55 CO -0.02 -0.32 0.56 0.52 -2.23 0.00 0.00 178.31 176.82 3g1q h MET 56 N -0.45 1.21 -0.51 1.11 2.86 -1.22 -1.96 114.93 115.98 3g1q h MET 56 Ca 0.01 -0.10 -0.11 0.00 -2.06 0.00 0.00 59.70 57.45 3g1q h MET 56 Cb 0.44 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 3g1q h MET 56 CO -0.08 0.83 -0.12 1.96 1.06 0.00 0.00 176.91 180.56 3g1q h GLN 57 N 1.24 0.95 -0.44 1.72 4.20 -1.09 -1.97 115.11 119.72 3g1q h GLN 57 Ca 0.33 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3g1q h GLN 57 Cb -0.09 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 3g1q h GLN 57 CO -0.06 1.01 0.28 1.49 -0.67 0.00 0.00 178.83 180.87 3g1q h GLU 58 N 0.85 0.59 -0.03 1.46 4.57 -1.06 -1.20 114.58 119.76 3g1q h GLU 58 Ca 0.13 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.30 3g1q h GLU 58 Cb 0.66 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.09 3g1q h GLU 58 CO 0.05 0.42 -0.16 0.00 -1.18 0.00 0.00 179.01 178.13 3g1q h LYS 60 N -0.25 0.81 0.07 0.00 3.64 -1.24 0.23 116.57 119.83 3g1q h LYS 60 Ca 0.06 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3g1q h LYS 60 Cb 0.34 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3g1q h LYS 60 CO -0.18 0.54 -0.03 -0.09 -2.27 0.00 0.00 179.45 177.41 3g1q h ARG 61 N 0.84 -0.09 -0.03 1.90 2.43 -0.88 -1.51 114.38 117.03 3g1q h ARG 61 Ca 0.37 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.39 3g1q h ARG 61 Cb 0.27 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3g1q h ARG 61 CO -0.21 0.17 -0.69 1.96 -1.51 0.00 0.00 179.97 179.68 3g1q h GLN 62 N -0.34 0.16 -0.00 0.20 4.20 -0.88 -2.31 115.11 116.14 3g1q h GLN 62 Ca -0.01 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3g1q h GLN 62 Cb 0.30 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3g1q h GLN 62 CO 0.02 0.79 -0.22 1.28 -0.67 0.00 0.00 178.83 180.02 3g1q n LEU 63 N -3.78 0.55 -3.90 1.46 4.77 0.05 -4.94 117.00 111.20 3g1q n LEU 63 Ca -0.02 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.69 3g1q n LEU 63 Cb 0.68 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.55 3g1q n LEU 63 CO 0.45 0.11 -0.07 0.29 -1.33 0.00 0.00 177.39 176.84 3g1q n LYS 64 N -1.08 -4.37 -3.67 3.23 5.02 -0.60 -4.98 118.16 111.71 3g1q n LYS 64 Ca 0.11 0.52 -0.10 0.00 -2.02 0.00 0.00 58.31 56.82 3g1q n LYS 64 Cb 0.32 -5.06 -0.09 0.00 -0.02 0.00 0.00 35.03 30.18 3g1q n LYS 64 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3g1q s SER 65 N -3.95 -0.72 0.32 4.39 0.15 -0.99 -5.02 113.70 107.88 3g1q s SER 65 Ca 0.27 1.24 0.26 0.00 0.70 0.00 0.00 55.95 58.42 3g1q s SER 65 Cb -0.14 1.15 0.79 0.00 -1.71 0.00 0.00 66.02 66.11 3g1q s SER 65 CO 0.85 -0.22 1.75 1.23 1.20 0.00 0.00 173.24 178.06 3g1q h GLY 66 N 6.51 0.00 -6.69 9.45 0.00 -1.86 -3.40 103.07 107.07 3g1q h GLY 66 Ca -0.31 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.36 3g1q h GLY 66 CO 0.19 0.00 -0.70 -0.42 0.00 0.00 0.00 176.54 175.61 3g1q s ILE 67 N -3.23 3.62 0.19 2.60 -1.09 -1.26 0.03 121.20 122.06 3g1q s ILE 67 Ca 0.07 -0.42 -0.21 0.00 -2.23 0.00 0.00 60.65 57.86 3g1q s ILE 67 Cb 0.10 -2.64 0.05 0.00 -1.58 0.00 0.00 42.46 38.38 3g1q s ILE 67 CO 0.57 0.42 0.61 0.72 -1.23 0.00 0.00 174.94 176.03 3g1q s PHE 68 N 1.27 -0.37 -0.21 3.97 -0.12 -1.08 -4.35 117.98 117.09 3g1q s PHE 68 Ca 0.03 0.07 -0.03 0.00 -0.05 0.00 0.00 56.93 56.96 3g1q s PHE 68 Cb -0.14 0.56 -0.00 0.00 -0.63 0.00 0.00 43.02 42.80 3g1q s PHE 68 CO -0.00 -0.95 -0.08 0.99 -0.05 0.00 0.00 175.22 175.12 3g1q s THR 69 N -3.82 3.04 0.50 -4.49 2.01 -0.52 -0.10 115.64 112.25 3g1q s THR 69 Ca 0.05 -0.61 0.07 0.00 0.31 0.00 0.00 61.69 61.52 3g1q s THR 69 Cb -0.02 -2.36 0.07 0.00 0.01 0.00 0.00 72.50 70.20 3g1q s THR 69 CO -0.06 0.45 0.60 2.30 -0.69 0.00 0.00 174.62 177.23 3g1q n ILE 70 N 4.74 0.00 -3.86 1.82 -5.35 0.22 -0.92 119.36 116.00 3g1q n ILE 70 Ca -0.19 -1.73 -0.23 0.00 -0.27 0.00 0.00 62.75 60.33 3g1q n ILE 70 Cb 0.51 -0.45 -0.17 0.00 -1.74 0.00 0.00 39.64 37.78 3g1q n ILE 70 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3g1q s ASN 71 N -4.03 1.50 -0.30 7.28 3.84 -1.26 -1.40 114.94 120.57 3g1q s ASN 71 Ca 0.46 -0.11 0.03 0.00 0.21 0.00 0.00 52.86 53.45 3g1q s ASN 71 Cb -0.04 -0.48 0.08 0.00 -0.55 0.00 0.00 41.25 40.26 3g1q s ASN 71 CO 0.29 -0.16 -0.03 -0.63 -2.79 0.00 0.00 177.10 173.78 3g1q s ILE 72 N 1.72 2.19 -1.51 -5.21 -1.09 -0.27 0.62 121.20 117.64 3g1q s ILE 72 Ca 0.02 -1.96 -0.07 0.00 -2.23 0.00 0.00 60.65 56.40 3g1q s ILE 72 Cb -0.13 -2.45 0.06 0.00 -1.58 0.00 0.00 42.46 38.36 3g1q s ILE 72 CO -0.04 -0.31 0.61 0.52 -1.23 0.00 0.00 174.94 174.48 3g1q n VAL 73 N 4.36 -2.34 0.00 2.92 0.31 0.02 -1.09 118.33 122.50 3g1q n VAL 73 Ca -0.05 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 3g1q n VAL 73 Cb 0.42 -2.40 0.00 0.00 -0.91 0.00 0.00 33.84 30.95 3g1q n VAL 73 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3g1q n GLY 74 N -1.76 1.62 3.77 2.92 0.00 -1.26 -4.91 105.19 105.58 3g1q n GLY 74 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 3g1q n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g1q s LYS 75 N -0.66 4.01 0.05 1.61 -0.14 -0.25 -5.05 119.74 119.31 3g1q s LYS 75 Ca 0.00 -0.02 -0.31 0.00 -1.36 0.00 0.00 55.97 54.29 3g1q s LYS 75 Cb 0.00 -3.35 -0.06 0.00 -1.68 0.00 0.00 37.83 32.74 3g1q s LYS 75 CO 0.00 0.43 1.24 1.03 -0.76 0.00 0.00 175.35 177.29 3g1q s ARG 76 N -0.07 4.39 -0.26 1.68 0.52 -1.26 -1.12 118.95 122.84 3g1q s ARG 76 Ca 0.14 1.82 0.03 0.00 -0.52 0.00 0.00 55.73 57.20 3g1q s ARG 76 Cb -0.13 -3.38 0.06 0.00 0.52 0.00 0.00 34.95 32.03 3g1q s ARG 76 CO 0.03 -0.33 -0.11 0.08 0.02 0.00 0.00 175.30 174.99 3g1q s VAL 77 N 1.31 2.16 -0.30 3.52 1.01 -0.49 -2.27 120.40 125.33 3g1q s VAL 77 Ca 0.60 -1.63 -0.21 0.00 0.00 0.00 0.00 61.98 60.74 3g1q s VAL 77 Cb -0.30 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 3g1q s VAL 77 CO 0.28 -0.03 0.65 -0.89 0.00 0.00 0.00 175.10 175.11 3g1q s THR 78 N 1.11 4.92 -0.19 3.92 2.01 0.35 -0.61 115.64 127.14 3g1q s THR 78 Ca -0.09 0.91 -0.17 0.00 0.31 0.00 0.00 61.69 62.66 3g1q s THR 78 Cb -0.20 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 3g1q s THR 78 CO -0.05 -0.15 0.43 -0.63 -0.69 0.00 0.00 174.62 173.53 3g1q s ILE 79 N 2.65 5.18 -1.07 1.82 1.01 0.86 -0.60 121.20 131.04 3g1q s ILE 79 Ca 0.26 0.78 -0.18 0.00 0.00 0.00 0.00 60.65 61.51 3g1q s ILE 79 Cb -0.15 -3.76 0.12 0.00 0.01 0.00 0.00 42.46 38.68 3g1q s ILE 79 CO 0.12 0.25 1.35 -0.69 0.00 0.00 0.00 174.94 175.97 3g1q s VAL 80 N 1.28 4.56 -0.30 2.92 1.01 0.11 -2.64 120.40 127.34 3g1q s VAL 80 Ca 0.21 -1.74 0.13 0.00 0.00 0.00 0.00 61.98 60.58 3g1q s VAL 80 Cb -0.15 -4.93 0.77 0.00 0.00 0.00 0.00 36.38 32.07 3g1q s VAL 80 CO 0.08 -1.69 1.67 0.61 0.00 0.00 0.00 175.10 175.77 3g1q n GLY 81 N 5.40 2.90 3.15 4.51 0.00 0.10 -4.47 105.19 116.78 3g1q n GLY 81 Ca 0.32 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 3g1q n GLY 81 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g1q s ASP 82 N -0.72 4.38 0.55 1.61 2.15 -1.21 -4.78 116.67 118.65 3g1q s ASP 82 Ca 0.51 -1.08 0.22 0.00 0.43 0.00 0.00 52.55 52.63 3g1q s ASP 82 Cb 0.39 -1.63 1.49 0.00 -0.30 0.00 0.00 42.92 42.87 3g1q s ASP 82 CO 0.15 -0.16 2.19 -0.65 -0.17 0.00 0.00 175.17 176.52 3g1q h PRO 83 N 7.94 0.00 -0.08 4.34 0.11 -1.93 0.91 132.00 143.29 3g1q h PRO 83 Ca -0.28 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.85 3g1q h PRO 83 Cb 1.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3g1q h PRO 83 CO 0.54 0.00 0.11 0.45 -0.21 0.00 0.00 178.00 178.89 3g1q h HIS 84 N 0.00 0.00 -0.55 0.65 3.86 -1.95 -2.53 115.15 114.64 3g1q h HIS 84 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3g1q h HIS 84 Cb 0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 3g1q h HIS 84 CO 0.00 0.00 0.00 0.39 0.86 0.00 0.00 177.93 179.18 3g1q n GLU 85 N -3.66 4.06 -0.36 2.45 -0.58 0.31 -4.62 120.64 118.24 3g1q n GLU 85 Ca -0.01 -2.96 0.06 0.00 -0.42 0.00 0.00 57.16 53.83 3g1q n GLU 85 Cb 0.20 -2.01 0.23 0.00 -0.57 0.00 0.00 31.44 29.29 3g1q n GLU 85 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3g1q h HIS 86 N 3.62 1.14 -0.17 -0.32 3.86 -1.51 -1.85 115.15 119.93 3g1q h HIS 86 Ca 0.00 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.29 3g1q h HIS 86 Cb 1.64 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 29.73 3g1q h HIS 86 CO 0.84 0.49 0.15 0.66 0.86 0.00 0.00 177.93 180.93 3g1q h SER 87 N 1.03 0.00 1.00 2.45 4.64 -1.84 -1.11 113.55 119.71 3g1q h SER 87 Ca 0.47 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.78 3g1q h SER 87 Cb 0.41 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3g1q h SER 87 CO -0.23 0.00 -0.04 0.03 -0.87 0.00 0.00 176.83 175.71 3g1q h ARG 88 N 0.00 0.00 0.04 4.77 2.47 -1.69 -2.37 114.38 117.59 3g1q h ARG 88 Ca 0.08 0.00 -0.38 0.00 -1.26 0.00 0.00 59.98 58.42 3g1q h ARG 88 Cb 0.39 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.65 3g1q h ARG 88 CO -0.00 0.04 -2.34 0.34 0.56 0.00 0.00 179.97 178.57 3g1q n PHE 89 N -3.16 0.37 0.08 3.04 7.35 -0.48 -4.54 117.46 120.12 3g1q n PHE 89 Ca 0.00 0.08 0.05 0.00 -0.76 0.00 0.00 57.45 56.83 3g1q n PHE 89 Cb 0.33 -1.05 -0.03 0.00 0.35 0.00 0.00 39.48 39.08 3g1q n PHE 89 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 3g1q h PHE 90 N -0.01 0.00 0.00 -5.13 -1.00 -1.36 -3.39 116.94 106.05 3g1q h PHE 90 Ca -0.54 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.06 3g1q h PHE 90 Cb 1.93 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 41.45 3g1q h PHE 90 CO 0.04 0.31 -2.09 1.28 -1.61 0.00 0.00 178.31 176.24 3g1q n LEU 91 N -2.85 0.12 -4.73 1.54 4.77 -0.90 -2.10 117.00 112.86 3g1q n LEU 91 Ca -0.04 0.05 -0.36 0.00 -0.03 0.00 0.00 56.01 55.63 3g1q n LEU 91 Cb 0.70 0.23 0.07 0.00 -2.33 0.00 0.00 43.42 42.09 3g1q n LEU 91 CO 0.41 0.24 0.86 -2.84 -1.33 0.00 0.00 177.39 174.73 3g1q s PRO 92 N -2.98 2.45 0.82 3.23 0.02 -1.26 -4.81 135.00 132.47 3g1q s PRO 92 Ca -0.08 1.94 -0.11 0.00 0.02 0.00 0.00 61.00 62.77 3g1q s PRO 92 Cb 0.10 -1.85 0.08 0.00 0.02 0.00 0.00 34.50 32.85 3g1q s PRO 92 CO 0.86 -1.64 1.09 -0.98 -0.33 0.00 0.00 177.00 176.00 3g1q s ARG 93 N -3.54 1.89 0.37 5.54 1.70 -1.26 -4.65 118.95 118.99 3g1q s ARG 93 Ca 0.79 1.11 0.19 0.00 -0.47 0.00 0.00 55.73 57.35 3g1q s ARG 93 Cb -0.34 -1.86 1.19 0.00 -0.57 0.00 0.00 34.95 33.37 3g1q s ARG 93 CO 0.41 -1.89 1.66 -0.91 -1.08 0.00 0.00 175.30 173.49 3g1q h ASN 94 N -1.30 0.43 0.72 -2.89 2.35 -1.94 0.75 115.58 113.69 3g1q h ASN 94 Ca -0.45 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 3g1q h ASN 94 Cb 1.25 0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.75 3g1q h ASN 94 CO 0.51 -0.15 0.00 -0.62 -1.65 0.00 0.00 177.43 175.53 3g1q n GLU 95 N -4.94 0.11 -0.09 0.81 4.71 -1.26 -2.90 120.64 117.09 3g1q n GLU 95 Ca 0.33 0.31 -0.18 0.00 -0.01 0.00 0.00 57.16 57.61 3g1q n GLU 95 Cb 1.10 -1.70 -0.06 0.00 -1.01 0.00 0.00 31.44 29.78 3g1q n GLU 95 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3g1q n VAL 96 N -1.90 1.14 -3.88 2.62 0.31 0.16 -4.69 118.33 112.09 3g1q n VAL 96 Ca 0.03 -0.17 -0.35 0.00 -0.01 0.00 0.00 64.34 63.85 3g1q n VAL 96 Cb 0.23 -1.84 -0.13 0.00 -0.91 0.00 0.00 33.84 31.19 3g1q n VAL 96 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3g1q s LEU 97 N -7.17 4.64 -0.14 7.52 1.43 -0.64 -0.21 118.68 124.11 3g1q s LEU 97 Ca -0.26 -1.78 -0.10 0.00 -1.03 0.00 0.00 54.13 50.97 3g1q s LEU 97 Cb 0.09 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.52 3g1q s LEU 97 CO 0.33 -0.40 0.20 -0.55 0.23 0.00 0.00 176.35 176.15 3g1q s SER 98 N 1.43 6.39 0.00 2.29 0.15 0.10 -4.13 113.70 119.93 3g1q s SER 98 Ca 0.04 0.46 0.28 0.00 0.70 0.00 0.00 55.95 57.42 3g1q s SER 98 Cb -0.21 -2.12 1.00 0.00 -1.71 0.00 0.00 66.02 62.98 3g1q s SER 98 CO -0.04 0.27 1.73 -0.81 1.20 0.00 0.00 173.24 175.60 3g1q n PRO 99 N 2.72 0.32 0.08 5.44 -0.04 -1.26 -0.21 135.00 142.05 3g1q n PRO 99 Ca -0.17 -0.12 -0.13 0.00 -0.04 0.00 0.00 63.50 63.04 3g1q n PRO 99 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 3g1q n PRO 99 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3g1q h ARG 100 N 0.30 -0.15 -0.12 0.54 2.43 -1.94 -2.59 114.38 112.85 3g1q h ARG 100 Ca 0.00 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 3g1q h ARG 100 Cb 0.44 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 3g1q h ARG 100 CO 0.00 0.02 -0.39 0.93 -1.51 0.00 0.00 179.97 179.02 3g1q h GLU 101 N -0.28 0.26 0.00 0.20 3.07 -1.89 -2.47 114.58 113.47 3g1q h GLU 101 Ca -0.02 -0.12 -0.04 0.00 -0.50 0.00 0.00 59.36 58.69 3g1q h GLU 101 Cb 0.23 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3g1q h GLU 101 CO 0.03 0.62 -0.17 -0.39 -1.40 0.00 0.00 179.01 177.69 3g1q h VAL 102 N 0.22 0.40 -0.62 3.13 -1.51 -1.79 -2.95 116.25 113.13 3g1q h VAL 102 Ca 0.02 -1.02 0.00 0.00 -1.23 0.00 0.00 66.70 64.48 3g1q h VAL 102 Cb 0.79 1.75 0.00 0.00 -2.13 0.00 0.00 31.29 31.70 3g1q h VAL 102 CO 0.06 0.17 0.00 -1.22 -1.23 0.00 0.00 177.57 175.35 3g1q n TYR 103 N -3.29 0.82 0.26 5.19 4.02 -0.96 -4.53 117.16 118.66 3g1q n TYR 103 Ca 0.01 -0.43 0.09 0.00 -0.01 0.00 0.00 57.90 57.55 3g1q n TYR 103 Cb 0.42 -0.00 0.66 0.00 -0.02 0.00 0.00 39.34 40.40 3g1q n TYR 103 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3g1q h SER 104 N 4.18 0.00 0.79 7.72 4.64 -1.30 -0.24 113.55 129.33 3g1q h SER 104 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g1q h SER 104 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3g1q h SER 104 CO 0.00 0.07 0.00 2.22 -0.87 0.00 0.00 176.83 178.25 3g1q n PHE 105 N -4.24 0.25 1.19 4.77 1.16 -1.26 -2.14 117.46 117.19 3g1q n PHE 105 Ca -0.03 0.09 0.12 0.00 -1.87 0.00 0.00 57.45 55.77 3g1q n PHE 105 Cb 0.15 -0.64 0.25 0.00 -1.61 0.00 0.00 39.48 37.64 3g1q n PHE 105 CO 0.00 0.00 0.00 -1.33 -1.87 0.00 0.00 176.76 173.56 3g1q n MET 106 N -1.72 1.37 -0.33 3.97 2.81 -0.10 -4.49 117.12 118.63 3g1q n MET 106 Ca 0.04 -0.98 0.11 0.00 -1.81 0.00 0.00 57.70 55.07 3g1q n MET 106 Cb 0.26 -1.48 0.32 0.00 -0.71 0.00 0.00 33.22 31.60 3g1q n MET 106 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3g1q h VAL 107 N 2.39 0.80 0.00 2.03 2.07 -1.48 0.19 116.25 122.25 3g1q h VAL 107 Ca 0.00 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3g1q h VAL 107 Cb 0.66 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3g1q h VAL 107 CO 0.00 0.15 -0.03 -0.65 0.02 0.00 0.00 177.57 177.06 3g1q h PRO 108 N 0.81 0.00 0.00 1.57 0.11 -1.82 0.31 132.00 132.98 3g1q h PRO 108 Ca 0.52 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.50 3g1q h PRO 108 Cb 0.74 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 3g1q h PRO 108 CO -0.29 0.03 -1.00 0.28 -0.21 0.00 0.00 178.00 176.81 3g1q n VAL 109 N -3.25 1.48 0.11 3.15 0.31 -0.05 -4.44 118.33 115.64 3g1q n VAL 109 Ca -0.02 0.07 -0.03 0.00 -0.01 0.00 0.00 64.34 64.35 3g1q n VAL 109 Cb 0.17 -2.20 0.08 0.00 -0.91 0.00 0.00 33.84 30.97 3g1q n VAL 109 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3g1q h PHE 110 N -1.00 0.01 0.00 3.52 0.05 -1.30 -3.45 116.94 114.77 3g1q h PHE 110 Ca -0.20 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.58 3g1q h PHE 110 Cb 0.96 -0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.90 3g1q h PHE 110 CO -0.08 0.75 0.00 0.41 -0.18 0.00 0.00 178.31 179.20 3g1q n GLY 111 N 0.60 2.92 3.72 -1.45 0.00 0.11 -4.09 105.19 106.99 3g1q n GLY 111 Ca -0.01 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 3g1q n GLY 111 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3g1q n GLU 112 N 0.33 2.47 -1.04 1.61 1.02 -1.24 -2.14 120.64 121.64 3g1q n GLU 112 Ca 0.00 0.88 -0.01 0.00 -0.02 0.00 0.00 57.16 58.00 3g1q n GLU 112 Cb 0.00 -2.62 -0.01 0.00 -0.02 0.00 0.00 31.44 28.79 3g1q n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g1q n GLY 113 N 2.26 0.38 3.66 0.62 0.00 -1.26 -5.00 105.19 105.84 3g1q n GLY 113 Ca 0.10 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3g1q n GLY 113 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g1q s VAL 114 N -1.63 4.07 0.00 1.61 1.01 -0.91 -3.51 120.40 121.04 3g1q s VAL 114 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3g1q s VAL 114 Cb 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.60 3g1q s VAL 114 CO 0.00 0.43 0.00 0.00 0.00 0.00 0.00 175.10 175.53 3g1q n ALA 115 N 1.59 0.00 0.28 5.51 0.00 -1.26 -1.91 120.51 124.72 3g1q n ALA 115 Ca -0.15 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.47 3g1q n ALA 115 Cb 0.53 0.00 0.94 0.00 0.00 0.00 0.00 19.45 20.92 3g1q n ALA 115 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3g1q h TYR 116 N 0.00 0.00 0.00 0.00 -1.99 -1.93 -1.20 116.97 111.85 3g1q h TYR 116 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3g1q h TYR 116 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 3g1q h TYR 116 CO 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 178.16 177.64 3g1q n ALA 117 N -1.97 3.18 -1.51 3.88 0.00 -0.80 -4.41 120.51 118.87 3g1q n ALA 117 Ca -0.02 -0.29 -0.31 0.00 0.00 0.00 0.00 53.44 52.82 3g1q n ALA 117 Cb 0.09 -1.17 0.06 0.00 0.00 0.00 0.00 19.45 18.42 3g1q n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g1q s ALA 118 N -3.07 2.60 0.84 0.00 0.00 -0.45 -4.51 121.76 117.16 3g1q s ALA 118 Ca 0.09 0.14 -0.12 0.00 0.00 0.00 0.00 51.96 52.07 3g1q s ALA 118 Cb 0.16 -3.20 0.10 0.00 0.00 0.00 0.00 23.12 20.18 3g1q s ALA 118 CO 0.70 -1.31 1.19 -2.14 0.00 0.00 0.00 175.76 174.20 3g1q s PRO 119 N -4.95 1.43 0.12 0.00 0.02 -1.26 -4.53 135.00 125.82 3g1q s PRO 119 Ca 0.59 1.72 -0.22 0.00 0.02 0.00 0.00 61.00 63.11 3g1q s PRO 119 Cb -0.15 -1.76 -0.07 0.00 0.02 0.00 0.00 34.50 32.55 3g1q s PRO 119 CO 0.54 -2.36 1.70 1.88 -0.33 0.00 0.00 177.00 178.43 3g1q h TYR 120 N -1.18 -0.20 -0.09 6.54 0.99 -1.94 0.82 116.97 121.91 3g1q h TYR 120 Ca -0.45 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.28 3g1q h TYR 120 Cb 1.29 0.10 -0.01 0.00 1.00 0.00 0.00 36.73 39.12 3g1q h TYR 120 CO 0.47 -0.13 0.02 -1.35 -0.00 0.00 0.00 178.16 177.18 3g1q h PRO 121 N -0.11 0.12 0.11 4.88 0.11 -2.00 -0.10 132.00 135.01 3g1q h PRO 121 Ca 0.06 -0.01 -0.27 0.00 0.11 0.00 0.00 66.00 65.89 3g1q h PRO 121 Cb 0.19 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.28 3g1q h PRO 121 CO -0.14 0.12 -1.18 -0.09 -0.21 0.00 0.00 178.00 176.49 3g1q h ARG 122 N 0.12 0.37 -0.46 1.05 2.43 -1.56 -2.05 114.38 114.28 3g1q h ARG 122 Ca 0.03 -0.54 0.04 0.00 -0.81 0.00 0.00 59.98 58.70 3g1q h ARG 122 Cb 0.05 0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 3g1q h ARG 122 CO -0.00 1.23 0.24 1.98 -1.51 0.00 0.00 179.97 181.90 3g1q h MET 123 N 0.14 0.46 -0.76 0.20 4.05 -0.46 -0.59 114.93 117.97 3g1q h MET 123 Ca -0.14 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.24 3g1q h MET 123 Cb 1.88 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 32.54 3g1q h MET 123 CO 0.20 0.30 0.41 -0.09 0.23 0.00 0.00 176.91 177.97 3g1q h ARG 124 N 0.47 1.06 -0.42 0.39 9.65 -0.91 -1.09 114.38 123.53 3g1q h ARG 124 Ca 0.20 -0.13 -0.04 0.00 -1.10 0.00 0.00 59.98 58.91 3g1q h ARG 124 Cb 0.10 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.46 3g1q h ARG 124 CO -0.14 0.79 0.09 0.93 2.80 0.00 0.00 179.97 184.44 3g1q h GLU 125 N 1.05 0.67 -0.39 0.20 5.08 -0.93 -0.23 114.58 120.03 3g1q h GLU 125 Ca 0.27 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3g1q h GLU 125 Cb 0.04 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3g1q h GLU 125 CO -0.04 0.70 0.22 1.96 -1.00 0.00 0.00 179.01 180.84 3g1q h GLN 126 N 0.54 0.55 -0.91 2.33 4.20 -0.76 0.02 115.11 121.07 3g1q h GLN 126 Ca 0.13 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 3g1q h GLN 126 Cb 0.33 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 3g1q h GLN 126 CO 0.00 0.45 0.55 -0.07 -0.67 0.00 0.00 178.83 179.09 3g1q h LEU 127 N 0.51 1.09 -0.68 1.46 3.38 -1.08 -1.77 115.31 118.21 3g1q h LEU 127 Ca 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3g1q h LEU 127 Cb 0.06 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3g1q h LEU 127 CO -0.02 0.84 0.45 0.78 0.09 0.00 0.00 178.44 180.57 3g1q h ASN 128 N 1.25 0.79 -0.64 -0.43 2.35 -0.66 0.31 115.58 118.56 3g1q h ASN 128 Ca 0.33 -0.03 0.06 0.00 -0.55 0.00 0.00 56.30 56.11 3g1q h ASN 128 Cb -0.05 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.06 3g1q h ASN 128 CO -0.06 0.58 0.34 -0.26 -1.65 0.00 0.00 177.43 176.39 3g1q h PHE 129 N 0.93 0.63 -0.39 1.19 0.05 -0.50 -0.34 116.94 118.50 3g1q h PHE 129 Ca 0.25 0.02 -0.15 0.00 3.82 0.00 0.00 57.97 61.92 3g1q h PHE 129 Cb -0.09 -0.19 -0.01 0.00 2.00 0.00 0.00 35.95 37.66 3g1q h PHE 129 CO -0.02 0.30 -0.34 1.25 -0.18 0.00 0.00 178.31 179.32 3g1q h LEU 130 N 0.64 0.95 -0.93 1.54 5.85 -0.90 -2.91 115.31 119.56 3g1q h LEU 130 Ca 0.29 -0.41 0.05 0.00 0.84 0.00 0.00 57.88 58.64 3g1q h LEU 130 Cb 0.18 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 3g1q h LEU 130 CO -0.18 1.19 0.60 0.00 -0.34 0.00 0.00 178.44 179.70 3g1q h ALA 131 N 0.86 1.25 -0.68 1.25 0.00 0.05 -1.03 119.26 120.96 3g1q h ALA 131 Ca 0.07 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.05 3g1q h ALA 131 Cb 0.91 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3g1q h ALA 131 CO 0.08 0.42 0.45 0.93 0.00 0.00 0.00 179.25 181.13 3g1q h GLU 132 N 1.12 0.50 -0.00 0.00 5.08 -0.87 -1.57 114.58 118.84 3g1q h GLU 132 Ca 0.38 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3g1q h GLU 132 Cb 0.08 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3g1q h GLU 132 CO -0.15 0.33 -0.09 0.39 -1.00 0.00 0.00 179.01 178.49 3g1q n GLU 133 N -4.48 0.09 -0.26 2.33 -0.58 -0.41 -3.45 120.64 113.88 3g1q n GLU 133 Ca 0.11 -0.02 0.07 0.00 -0.42 0.00 0.00 57.16 56.90 3g1q n GLU 133 Cb 0.37 -1.50 0.18 0.00 -0.57 0.00 0.00 31.44 29.92 3g1q n GLU 133 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3g1q n LEU 134 N -1.44 3.16 -4.84 -4.62 4.77 -0.60 -4.90 117.00 108.52 3g1q n LEU 134 Ca 0.08 -2.53 -0.31 0.00 -0.03 0.00 0.00 56.01 53.21 3g1q n LEU 134 Cb 0.32 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 41.08 3g1q n LEU 134 CO 0.28 0.68 0.71 0.42 -1.33 0.00 0.00 177.39 178.15 3g1q s THR 135 N -1.95 4.33 0.32 -5.08 -4.23 -1.16 -4.59 115.64 103.29 3g1q s THR 135 Ca 0.29 0.82 0.32 0.00 -1.18 0.00 0.00 61.69 61.95 3g1q s THR 135 Cb 0.21 -3.62 0.34 0.00 1.34 0.00 0.00 72.50 70.78 3g1q s THR 135 CO 0.10 -0.93 2.06 0.16 -0.54 0.00 0.00 174.62 175.48 3g1q h ILE 136 N -0.28 0.29 -0.96 2.99 3.07 -1.94 -0.25 117.51 120.42 3g1q h ILE 136 Ca -0.44 -0.52 0.13 0.00 1.55 0.00 0.00 64.86 65.58 3g1q h ILE 136 Cb 1.20 1.40 -0.08 0.00 -0.27 0.00 0.00 36.82 39.07 3g1q h ILE 136 CO 0.59 0.08 0.61 0.00 -1.05 0.00 0.00 178.15 178.38 3g1q h ALA 137 N 1.92 1.64 0.00 0.16 0.00 -1.95 -2.30 119.26 118.73 3g1q h ALA 137 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3g1q h ALA 137 Cb 0.39 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3g1q h ALA 137 CO 0.01 0.11 0.00 1.63 0.00 0.00 0.00 179.25 181.00 3g1q n LYS 138 N -4.60 1.00 0.00 0.00 4.76 -0.10 -4.20 118.16 115.01 3g1q n LYS 138 Ca 0.18 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.75 3g1q n LYS 138 Cb 0.40 -1.33 0.23 0.00 -1.84 0.00 0.00 35.03 32.49 3g1q n LYS 138 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3g1q n PHE 139 N -0.83 0.00 0.27 2.13 3.01 -0.87 -4.62 117.46 116.55 3g1q n PHE 139 Ca 0.16 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.71 3g1q n PHE 139 Cb 0.07 -0.06 0.68 0.00 -0.01 0.00 0.00 39.48 40.17 3g1q n PHE 139 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 3g1q h GLN 140 N 1.99 0.00 -0.01 -1.08 1.08 -1.78 -1.23 115.11 114.08 3g1q h GLN 140 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3g1q h GLN 140 Cb 0.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 3g1q h GLN 140 CO 0.00 0.00 -0.45 0.09 -0.95 0.00 0.00 178.83 177.52 3g1q n ASN 141 N -4.43 1.90 -0.09 1.46 3.02 -1.26 -4.57 115.26 111.29 3g1q n ASN 141 Ca -0.03 -1.44 -0.14 0.00 -0.03 0.00 0.00 54.58 52.95 3g1q n ASN 141 Cb 0.09 0.43 -0.04 0.00 -0.61 0.00 0.00 39.78 39.65 3g1q n ASN 141 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 3g1q h PHE 142 N 2.28 0.88 -0.25 3.10 -1.00 -1.51 -3.00 116.94 117.44 3g1q h PHE 142 Ca 0.00 -0.28 0.01 0.00 2.81 0.00 0.00 57.97 60.51 3g1q h PHE 142 Cb 0.72 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.09 3g1q h PHE 142 CO 0.00 1.04 0.15 0.28 -1.61 0.00 0.00 178.31 178.17 3g1q h VAL 143 N 0.47 1.04 -0.74 -0.55 2.07 -1.81 0.72 116.25 117.46 3g1q h VAL 143 Ca 0.04 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 3g1q h VAL 143 Cb 0.91 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3g1q h VAL 143 CO 0.08 0.06 0.28 -0.65 0.02 0.00 0.00 177.57 177.35 3g1q h PRO 144 N 0.31 1.10 -0.17 1.57 0.11 -1.75 0.27 132.00 133.44 3g1q h PRO 144 Ca 0.09 -0.20 -0.13 0.00 0.11 0.00 0.00 66.00 65.87 3g1q h PRO 144 Cb -0.02 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 3g1q h PRO 144 CO -0.04 0.91 -0.46 0.00 -0.21 0.00 0.00 178.00 178.20 3g1q h ALA 145 N 1.23 0.90 0.19 -0.75 0.00 -1.28 -0.91 119.26 118.64 3g1q h ALA 145 Ca 0.24 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3g1q h ALA 145 Cb 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3g1q h ALA 145 CO -0.02 0.65 -0.09 0.82 0.00 0.00 0.00 179.25 180.61 3g1q h ILE 146 N 0.34 0.89 -0.59 0.00 2.04 0.84 -3.00 117.51 118.03 3g1q h ILE 146 Ca 0.02 -0.83 0.11 0.00 1.00 0.00 0.00 64.86 65.16 3g1q h ILE 146 Cb 0.94 1.36 -0.09 0.00 -0.74 0.00 0.00 36.82 38.29 3g1q h ILE 146 CO 0.08 0.18 0.12 -0.61 0.00 0.00 0.00 178.15 177.92 3g1q h GLN 147 N -0.70 0.25 -0.69 2.37 4.15 -0.34 -1.50 115.11 118.65 3g1q h GLN 147 Ca -0.03 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.43 3g1q h GLN 147 Cb 0.49 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.07 3g1q h GLN 147 CO 0.04 0.16 0.40 1.25 -1.93 0.00 0.00 178.83 178.76 3g1q h HIS 148 N 0.25 0.74 -0.37 3.99 2.76 -1.25 0.22 115.15 121.49 3g1q h HIS 148 Ca 0.31 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.43 3g1q h HIS 148 Cb 0.46 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.17 3g1q h HIS 148 CO -0.25 0.38 -0.08 0.93 -1.30 0.00 0.00 177.93 177.61 3g1q h GLU 149 N 0.75 0.63 -0.32 5.26 4.39 -1.16 -0.14 114.58 123.99 3g1q h GLU 149 Ca 0.30 -0.18 -0.09 0.00 0.34 0.00 0.00 59.36 59.73 3g1q h GLU 149 Cb 0.13 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3g1q h GLU 149 CO -0.16 0.71 -0.14 0.28 -1.16 0.00 0.00 179.01 178.54 3g1q h VAL 150 N 0.58 1.29 -0.27 3.13 2.07 -0.39 -0.82 116.25 121.84 3g1q h VAL 150 Ca 0.11 -1.24 -0.08 0.00 0.82 0.00 0.00 66.70 66.31 3g1q h VAL 150 Cb 0.49 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3g1q h VAL 150 CO 0.03 0.40 -0.14 0.03 0.02 0.00 0.00 177.57 177.91 3g1q h ARG 151 N 0.44 0.56 -0.65 1.57 3.08 -0.96 0.48 114.38 118.90 3g1q h ARG 151 Ca 0.07 -0.25 0.14 0.00 0.07 0.00 0.00 59.98 60.01 3g1q h ARG 151 Cb 0.66 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.58 3g1q h ARG 151 CO 0.04 0.82 -0.04 0.87 -1.07 0.00 0.00 179.97 180.59 3g1q h LYS 152 N 0.30 0.08 0.20 0.04 1.57 -0.96 0.12 116.57 117.92 3g1q h LYS 152 Ca 0.06 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3g1q h LYS 152 Cb 0.65 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3g1q h LYS 152 CO 0.04 0.05 -0.10 0.35 -0.57 0.00 0.00 179.45 179.22 3g1q h PHE 153 N 0.08 -0.25 -0.39 -1.35 3.57 -0.92 -2.92 116.94 114.76 3g1q h PHE 153 Ca 0.34 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.90 3g1q h PHE 153 Cb 0.55 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.32 3g1q h PHE 153 CO -0.42 -0.10 0.04 0.52 -2.23 0.00 0.00 178.31 176.12 3g1q h MET 154 N -0.35 0.15 -0.03 1.11 2.86 -0.47 -0.84 114.93 117.36 3g1q h MET 154 Ca -0.03 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3g1q h MET 154 Cb 0.27 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 3g1q h MET 154 CO 0.05 0.10 0.03 0.00 1.06 0.00 0.00 176.91 178.14 3g1q h ALA 155 N 1.32 1.63 0.00 6.32 0.00 -0.81 0.65 119.26 128.36 3g1q h ALA 155 Ca 0.19 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.85 3g1q h ALA 155 Cb 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3g1q h ALA 155 CO -0.28 -0.04 -2.07 0.00 0.00 0.00 0.00 179.25 176.86 3g1q n ALA 156 N -2.35 1.86 0.00 0.00 0.00 -1.03 -4.51 120.51 114.47 3g1q n ALA 156 Ca -0.02 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.45 3g1q n ALA 156 Cb 0.12 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.06 3g1q n ALA 156 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3g1q n ASN 157 N -2.70 4.51 -2.47 0.00 3.02 -0.35 -4.63 115.26 112.64 3g1q n ASN 157 Ca -0.21 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.09 3g1q n ASN 157 Cb 0.97 0.78 0.00 0.00 -0.61 0.00 0.00 39.78 40.92 3g1q n ASN 157 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 3g1q n TRP 158 N -1.49 3.13 0.10 3.10 8.01 0.22 -4.91 117.44 125.61 3g1q n TRP 158 Ca 0.00 -3.02 -0.17 0.00 -1.31 0.00 0.00 57.50 53.00 3g1q n TRP 158 Cb 0.12 -0.13 -0.13 0.00 -2.01 0.00 0.00 31.31 29.17 3g1q n TRP 158 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.69 177.06 3g1q h ASP 159 N 2.59 0.52 -1.40 -0.99 2.03 -1.79 -3.44 116.42 113.95 3g1q h ASP 159 Ca 0.26 -0.53 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 3g1q h ASP 159 Cb 0.99 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.32 3g1q h ASP 159 CO 0.80 1.39 0.00 2.29 -1.03 0.00 0.00 179.24 182.70 3g1q n LYS 160 N -3.61 0.06 -0.00 4.15 2.85 -1.26 -4.99 118.16 115.36 3g1q n LYS 160 Ca -0.10 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.27 3g1q n LYS 160 Cb 1.00 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 35.28 3g1q n LYS 160 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3g1q n ASP 161 N -2.24 0.94 -3.81 -5.58 5.68 -1.26 -4.56 116.55 105.71 3g1q n ASP 161 Ca 0.00 -0.93 -0.13 0.00 -0.50 0.00 0.00 54.79 53.24 3g1q n ASP 161 Cb 0.00 1.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.86 3g1q n ASP 161 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3g1q s GLU 162 N -3.02 0.18 0.24 0.11 0.41 -1.26 -1.82 118.70 113.55 3g1q s GLU 162 Ca 0.07 0.24 -0.21 0.00 -0.41 0.00 0.00 54.97 54.66 3g1q s GLU 162 Cb 0.16 0.07 0.06 0.00 -1.78 0.00 0.00 34.13 32.64 3g1q s GLU 162 CO 0.86 -0.03 0.90 0.20 -0.49 0.00 0.00 175.26 176.71 3g1q s GLY 163 N 0.16 0.05 -0.01 -1.39 0.00 -0.96 -4.99 107.32 100.17 3g1q s GLY 163 Ca -0.01 -0.31 0.04 0.00 0.00 0.00 0.00 44.72 44.45 3g1q s GLY 163 CO -0.00 0.63 -0.14 -0.54 0.00 0.00 0.00 173.10 173.05 3g1q s GLU 164 N -2.80 1.15 0.17 2.90 2.02 -1.26 -1.55 118.70 119.34 3g1q s GLU 164 Ca 0.16 -0.51 -0.08 0.00 0.02 0.00 0.00 54.97 54.55 3g1q s GLU 164 Cb -0.03 -1.12 -0.01 0.00 0.10 0.00 0.00 34.13 33.07 3g1q s GLU 164 CO 0.06 0.31 0.28 0.96 0.02 0.00 0.00 175.26 176.89 3g1q s ILE 165 N -0.34 0.06 -0.38 -1.63 -4.36 -0.22 -4.96 121.20 109.36 3g1q s ILE 165 Ca 0.05 -1.44 -0.15 0.00 -0.26 0.00 0.00 60.65 58.85 3g1q s ILE 165 Cb -0.06 -1.91 0.01 0.00 1.25 0.00 0.00 42.46 41.75 3g1q s ILE 165 CO -0.01 -0.26 0.35 0.21 0.24 0.00 0.00 174.94 175.48 3g1q s ASN 166 N -2.99 6.15 0.19 4.36 3.84 -1.26 -0.48 114.94 124.75 3g1q s ASN 166 Ca 0.19 -0.57 -0.04 0.00 0.21 0.00 0.00 52.86 52.65 3g1q s ASN 166 Cb 0.03 -2.19 0.11 0.00 -0.55 0.00 0.00 41.25 38.65 3g1q s ASN 166 CO 0.01 -0.43 1.52 0.25 -2.79 0.00 0.00 177.10 175.67 3g1q h LEU 167 N 8.78 0.69 -0.04 3.21 5.85 -1.66 -1.36 115.31 130.78 3g1q h LEU 167 Ca -0.28 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.10 3g1q h LEU 167 Cb 1.13 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 3g1q h LEU 167 CO 0.73 1.06 0.02 0.25 -0.34 0.00 0.00 178.44 180.16 3g1q h LEU 168 N 0.50 0.04 -0.97 2.25 5.85 -1.92 0.45 115.31 121.52 3g1q h LEU 168 Ca 0.03 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 3g1q h LEU 168 Cb 1.02 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 3g1q h LEU 168 CO 0.10 0.10 0.44 -0.33 -0.34 0.00 0.00 178.44 178.41 3g1q h GLU 169 N -0.02 1.17 -0.15 1.25 5.08 -1.93 -0.73 114.58 119.25 3g1q h GLU 169 Ca 0.01 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.10 3g1q h GLU 169 Cb 0.07 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.10 3g1q h GLU 169 CO -0.00 0.87 -0.43 -0.44 -1.00 0.00 0.00 179.01 178.00 3g1q h ASP 170 N 1.17 0.63 -0.80 1.42 5.19 -0.92 0.03 116.42 123.15 3g1q h ASP 170 Ca 0.29 -0.59 -0.00 0.00 -0.62 0.00 0.00 57.03 56.11 3g1q h ASP 170 Cb 0.05 -0.18 -0.04 0.00 0.18 0.00 0.00 39.33 39.33 3g1q h ASP 170 CO -0.04 1.11 0.50 0.00 -3.12 0.00 0.00 179.24 177.69 3g1q h SER 172 N 1.10 0.51 -0.59 0.00 0.87 -0.79 -1.23 113.55 113.43 3g1q h SER 172 Ca 0.29 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.81 3g1q h SER 172 Cb -0.07 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.74 3g1q h SER 172 CO -0.06 0.37 0.25 0.74 -0.53 0.00 0.00 176.83 177.60 3g1q h THR 173 N 0.60 1.22 -0.96 2.23 2.02 -0.82 -1.97 112.91 115.23 3g1q h THR 173 Ca 0.17 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 66.69 3g1q h THR 173 Cb -0.06 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 66.87 3g1q h THR 173 CO -0.04 0.26 0.63 0.24 0.37 0.00 0.00 175.52 176.98 3g1q h MET 174 N 0.81 1.25 -0.23 6.66 2.86 -1.06 -2.09 114.93 123.12 3g1q h MET 174 Ca 0.20 -0.08 -0.18 0.00 -2.06 0.00 0.00 59.70 57.59 3g1q h MET 174 Cb 0.17 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 31.55 3g1q h MET 174 CO -0.02 0.83 -0.54 0.82 1.06 0.00 0.00 176.91 179.06 3g1q h ILE 175 N 1.29 1.29 -0.97 -1.22 1.08 -0.74 0.13 117.51 118.37 3g1q h ILE 175 Ca 0.35 -1.74 0.00 0.00 -0.39 0.00 0.00 64.86 63.08 3g1q h ILE 175 Cb -0.13 1.78 -0.05 0.00 -3.07 0.00 0.00 36.82 35.35 3g1q h ILE 175 CO -0.08 0.56 0.61 -0.29 -0.69 0.00 0.00 178.15 178.26 3g1q h ILE 176 N 0.52 1.26 -0.05 -0.67 2.10 -1.27 -0.22 117.51 119.17 3g1q h ILE 176 Ca -0.00 -0.51 -0.00 0.00 1.08 0.00 0.00 64.86 65.43 3g1q h ILE 176 Cb 1.15 -0.14 -0.00 0.00 -1.09 0.00 0.00 36.82 36.74 3g1q h ILE 176 CO 0.12 0.26 0.02 0.78 -1.08 0.00 0.00 178.15 178.25 3g1q h ASN 177 N 1.32 0.07 -0.43 2.19 2.35 -0.97 -1.85 115.58 118.26 3g1q h ASN 177 Ca 0.35 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.84 3g1q h ASN 177 Cb -0.11 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3g1q h ASN 177 CO -0.07 0.22 -0.09 0.71 -1.65 0.00 0.00 177.43 176.55 3g1q h THR 178 N -0.08 1.27 -0.23 2.81 1.35 -0.69 -1.72 112.91 115.62 3g1q h THR 178 Ca 0.02 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 3g1q h THR 178 Cb 0.17 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 67.73 3g1q h THR 178 CO -0.00 0.40 0.15 0.00 -0.25 0.00 0.00 175.52 175.82 3g1q h ALA 179 N 0.87 0.30 -0.24 6.62 0.00 -1.03 -1.35 119.26 124.42 3g1q h ALA 179 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3g1q h ALA 179 Cb 0.62 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3g1q h ALA 179 CO 0.04 -0.22 0.06 0.00 0.00 0.00 0.00 179.25 179.13 3g1q h GLN 181 N 0.20 0.98 0.03 0.00 5.75 -1.20 -0.88 115.11 119.99 3g1q h GLN 181 Ca 0.07 -0.06 -0.27 0.00 -0.15 0.00 0.00 58.65 58.25 3g1q h GLN 181 Cb 0.27 -0.22 0.02 0.00 1.07 0.00 0.00 27.48 28.62 3g1q h GLN 181 CO 0.00 0.65 -1.08 0.00 -2.65 0.00 0.00 178.83 175.75 3g1q n LEU 183 N -3.81 0.47 -4.34 0.00 4.77 -0.16 -4.84 117.00 109.09 3g1q n LEU 183 Ca -0.11 0.20 -0.32 0.00 -0.03 0.00 0.00 56.01 55.75 3g1q n LEU 183 Cb 0.90 0.09 -0.15 0.00 -2.33 0.00 0.00 43.42 41.93 3g1q n LEU 183 CO 0.56 0.09 -0.49 -0.36 -1.33 0.00 0.00 177.39 175.85 3g1q s PHE 184 N -3.12 2.67 1.02 -1.77 2.99 -0.36 -0.34 117.98 119.08 3g1q s PHE 184 Ca -0.05 -0.65 -0.11 0.00 0.00 0.00 0.00 56.93 56.12 3g1q s PHE 184 Cb 0.10 -1.73 0.20 0.00 0.00 0.00 0.00 43.02 41.59 3g1q s PHE 184 CO 0.84 -0.18 1.09 0.20 -0.00 0.00 0.00 175.22 177.17 3g1q s GLY 185 N 0.05 1.62 0.20 4.36 0.00 -1.26 -4.70 107.32 107.59 3g1q s GLY 185 Ca -0.07 0.22 -0.17 0.00 0.00 0.00 0.00 44.72 44.70 3g1q s GLY 185 CO 0.05 0.77 1.61 0.83 0.00 0.00 0.00 173.10 176.36 3g1q h GLU 186 N -2.17 -0.08 -0.53 2.90 4.39 -1.96 -2.18 114.58 114.94 3g1q h GLU 186 Ca -0.52 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.21 3g1q h GLU 186 Cb 1.30 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.93 3g1q h GLU 186 CO 0.47 -0.05 0.33 0.38 -1.16 0.00 0.00 179.01 178.97 3g1q h ASP 187 N -0.09 0.54 -0.63 1.42 2.03 -2.00 -1.57 116.42 116.12 3g1q h ASP 187 Ca 0.27 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.56 3g1q h ASP 187 Cb 0.50 -0.11 -0.03 0.00 -0.83 0.00 0.00 39.33 38.86 3g1q h ASP 187 CO -0.64 0.38 0.36 0.25 -1.03 0.00 0.00 179.24 178.55 3g1q h LEU 188 N 0.65 0.77 -1.44 0.15 5.85 -1.76 -1.51 115.31 118.03 3g1q h LEU 188 Ca 0.21 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3g1q h LEU 188 Cb 0.00 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 3g1q h LEU 188 CO -0.09 0.63 -0.10 0.03 -0.34 0.00 0.00 178.44 178.57 3g1q h ARG 189 N 0.86 0.00 -0.19 1.25 3.08 -0.97 0.01 114.38 118.42 3g1q h ARG 189 Ca 0.22 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.12 3g1q h ARG 189 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3g1q h ARG 189 CO -0.04 0.10 -0.51 0.87 -1.07 0.00 0.00 179.97 179.32 3g1q h LYS 190 N 0.00 0.52 0.00 0.04 1.57 -0.28 -2.71 116.57 115.70 3g1q h LYS 190 Ca -0.00 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3g1q h LYS 190 Cb 0.56 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3g1q h LYS 190 CO 0.01 0.90 -1.07 -2.13 -0.57 0.00 0.00 179.45 176.59 3g1q n ARG 191 N -3.97 0.55 -3.08 3.15 3.00 -1.06 -4.65 116.66 110.61 3g1q n ARG 191 Ca -0.03 0.07 -0.16 0.00 -0.00 0.00 0.00 57.85 57.74 3g1q n ARG 191 Cb 0.58 -1.76 -0.04 0.00 0.00 0.00 0.00 32.46 31.23 3g1q n ARG 191 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3g1q n LEU 192 N -2.51 -1.89 -4.87 6.15 7.94 -0.03 -5.07 117.00 116.72 3g1q n LEU 192 Ca 0.00 -3.70 -0.29 0.00 -1.11 0.00 0.00 56.01 50.91 3g1q n LEU 192 Cb 0.53 0.66 0.13 0.00 0.53 0.00 0.00 43.42 45.26 3g1q n LEU 192 CO 0.40 1.91 0.79 1.51 -1.11 0.00 0.00 177.39 180.89 3g1q s ASP 193 N 0.32 3.86 0.33 1.96 -4.77 -1.04 -4.31 116.67 113.03 3g1q s ASP 193 Ca 0.32 0.70 0.04 0.00 -3.30 0.00 0.00 52.55 50.30 3g1q s ASP 193 Cb 0.03 -1.10 0.65 0.00 -1.09 0.00 0.00 42.92 41.41 3g1q s ASP 193 CO -0.13 -2.30 1.93 0.00 0.70 0.00 0.00 175.17 175.36 3g1q h ALA 194 N -1.33 1.62 -0.51 2.11 0.00 -1.92 -0.85 119.26 118.38 3g1q h ALA 194 Ca -0.47 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 3g1q h ALA 194 Cb 1.31 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3g1q h ALA 194 CO 0.58 0.24 0.24 -0.09 0.00 0.00 0.00 179.25 180.22 3g1q h ARG 195 N 0.88 0.73 -0.39 0.00 2.43 -1.97 -0.82 114.38 115.24 3g1q h ARG 195 Ca 0.36 -0.11 -0.15 0.00 -0.81 0.00 0.00 59.98 59.27 3g1q h ARG 195 Cb 0.27 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3g1q h ARG 195 CO -0.13 0.61 -0.36 -0.09 -1.51 0.00 0.00 179.97 178.49 3g1q h ARG 196 N 0.68 0.94 0.04 0.20 2.43 -1.69 -2.40 114.38 114.56 3g1q h ARG 196 Ca 0.17 -0.48 -0.00 0.00 -0.81 0.00 0.00 59.98 58.86 3g1q h ARG 196 Cb 0.12 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3g1q h ARG 196 CO -0.02 1.14 -0.02 0.35 -1.51 0.00 0.00 179.97 179.91 3g1q h PHE 197 N 0.76 -0.05 -0.76 2.20 3.57 -1.18 -1.44 116.94 120.04 3g1q h PHE 197 Ca 0.07 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.66 3g1q h PHE 197 Cb 0.95 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.63 3g1q h PHE 197 CO 0.06 0.06 0.40 0.00 -2.23 0.00 0.00 178.31 176.61 3g1q h ALA 198 N 0.82 1.07 -0.39 2.41 0.00 -1.07 0.31 119.26 122.40 3g1q h ALA 198 Ca -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3g1q h ALA 198 Cb 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3g1q h ALA 198 CO 0.01 0.00 0.17 1.96 0.00 0.00 0.00 179.25 181.39 3g1q h GLN 199 N 0.67 0.57 -0.64 0.00 4.20 -1.31 0.40 115.11 119.00 3g1q h GLN 199 Ca 0.37 -0.09 -0.05 0.00 0.06 0.00 0.00 58.65 58.94 3g1q h GLN 199 Cb 0.38 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 3g1q h GLN 199 CO -0.27 0.53 0.20 -0.07 -0.67 0.00 0.00 178.83 178.55 3g1q h LEU 200 N 0.49 0.94 -0.76 1.46 3.38 -0.13 -1.93 115.31 118.76 3g1q h LEU 200 Ca 0.13 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3g1q h LEU 200 Cb 0.15 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3g1q h LEU 200 CO -0.01 0.89 -0.06 -0.07 0.09 0.00 0.00 178.44 179.28 3g1q h LEU 201 N 0.93 0.86 -1.04 1.67 3.38 -0.85 -2.02 115.31 118.24 3g1q h LEU 201 Ca 0.21 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3g1q h LEU 201 Cb 0.29 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3g1q h LEU 201 CO -0.01 0.96 0.27 0.00 0.09 0.00 0.00 178.44 179.75 3g1q h ALA 202 N 1.13 1.24 -0.32 1.53 0.00 -0.73 0.19 119.26 122.30 3g1q h ALA 202 Ca 0.14 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 3g1q h ALA 202 Cb 0.56 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3g1q h ALA 202 CO 0.03 0.56 -0.44 -0.22 0.00 0.00 0.00 179.25 179.18 3g1q h LYS 203 N 0.94 0.82 -0.19 0.00 3.64 -1.12 -2.14 116.57 118.51 3g1q h LYS 203 Ca 0.22 -0.46 -0.16 0.00 -1.27 0.00 0.00 60.65 58.98 3g1q h LYS 203 Cb 0.17 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3g1q h LYS 203 CO -0.02 1.10 -0.54 0.52 -2.27 0.00 0.00 179.45 178.24 3g1q h MET 204 N 0.66 0.57 -0.22 1.90 2.86 -0.58 -3.11 114.93 117.01 3g1q h MET 204 Ca 0.04 -0.35 -0.11 0.00 -2.06 0.00 0.00 59.70 57.22 3g1q h MET 204 Cb 1.02 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 3g1q h MET 204 CO 0.10 0.96 -0.34 1.49 1.06 0.00 0.00 176.91 180.19 3g1q h GLU 205 N 0.44 0.46 -0.49 1.72 4.81 -0.56 -2.85 114.58 118.10 3g1q h GLU 205 Ca 0.01 -0.20 0.14 0.00 -0.13 0.00 0.00 59.36 59.18 3g1q h GLU 205 Cb 1.08 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 3g1q h GLU 205 CO 0.10 0.74 0.40 0.66 -0.73 0.00 0.00 179.01 180.18 3g1q h SER 206 N 0.39 0.00 1.25 1.04 4.64 -1.31 -1.35 113.55 118.22 3g1q h SER 206 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3g1q h SER 206 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 3g1q h SER 206 CO 0.06 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.48 3g1q n SER 207 N -4.12 0.68 -4.72 4.97 3.41 -1.08 -4.91 113.62 107.85 3g1q n SER 207 Ca 0.09 0.58 -0.42 0.00 -0.26 0.00 0.00 58.87 58.87 3g1q n SER 207 Cb 0.61 -0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 63.77 3g1q n SER 207 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3g1q s LEU 208 N -4.32 4.40 -0.34 1.04 1.43 -0.51 -4.88 118.68 115.51 3g1q s LEU 208 Ca 0.10 2.06 -0.00 0.00 -1.03 0.00 0.00 54.13 55.26 3g1q s LEU 208 Cb 0.12 -3.59 0.11 0.00 0.03 0.00 0.00 46.19 42.87 3g1q s LEU 208 CO 0.54 -0.42 0.15 -0.63 0.23 0.00 0.00 176.35 176.22 3g1q s ILE 209 N 0.68 0.79 0.47 -0.59 1.01 -1.26 -5.00 121.20 117.30 3g1q s ILE 209 Ca 0.56 -1.64 0.16 0.00 0.00 0.00 0.00 60.65 59.73 3g1q s ILE 209 Cb -0.30 -1.59 0.32 0.00 0.01 0.00 0.00 42.46 40.90 3g1q s ILE 209 CO 0.31 -0.78 2.04 -0.65 0.00 0.00 0.00 174.94 175.87 3g1q h PRO 210 N 7.66 0.23 0.00 2.79 0.11 -1.94 -0.45 132.00 140.39 3g1q h PRO 210 Ca -0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3g1q h PRO 210 Cb 0.99 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3g1q h PRO 210 CO 0.44 0.15 0.14 0.00 -0.21 0.00 0.00 178.00 178.53 3g1q h ALA 211 N 1.79 1.14 0.00 -0.75 0.00 -1.98 -1.64 119.26 117.83 3g1q h ALA 211 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3g1q h ALA 211 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3g1q h ALA 211 CO -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.08 3g1q h ALA 212 N 1.71 1.00 -0.40 0.00 0.00 -1.30 0.20 119.26 120.46 3g1q h ALA 212 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3g1q h ALA 212 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3g1q h ALA 212 CO 0.00 0.00 -0.00 -0.24 0.00 0.00 0.00 179.25 179.01 3g1q h VAL 213 N 0.00 1.22 0.00 0.00 3.04 -1.51 -2.77 116.25 116.23 3g1q h VAL 213 Ca 0.00 -0.90 0.00 0.00 -1.01 0.00 0.00 66.70 64.79 3g1q h VAL 213 Cb 0.11 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 30.31 3g1q h VAL 213 CO 0.00 0.31 -1.90 0.49 -1.01 0.00 0.00 177.57 175.46 3g1q n PHE 214 N -4.25 0.00 -3.55 3.17 3.01 -0.03 -4.49 117.46 111.32 3g1q n PHE 214 Ca 0.02 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.21 3g1q n PHE 214 Cb 0.27 -0.45 -0.09 0.00 -0.01 0.00 0.00 39.48 39.20 3g1q n PHE 214 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3g1q n LEU 215 N -2.18 2.94 0.13 4.37 4.77 0.50 -4.82 117.00 122.71 3g1q n LEU 215 Ca -0.03 -5.24 0.11 0.00 -0.03 0.00 0.00 56.01 50.82 3g1q n LEU 215 Cb 0.54 -0.50 0.50 0.00 -2.33 0.00 0.00 43.42 41.63 3g1q n LEU 215 CO 0.45 1.95 0.83 -0.81 -1.33 0.00 0.00 177.39 178.48 3g1q n PRO 216 N 1.37 0.17 0.02 3.23 -0.04 -1.05 -1.60 135.00 137.09 3g1q n PRO 216 Ca 0.26 0.48 0.20 0.00 -0.04 0.00 0.00 63.50 64.40 3g1q n PRO 216 Cb 0.41 -1.87 0.70 0.00 -0.04 0.00 0.00 33.50 32.69 3g1q n PRO 216 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3g1q h ILE 217 N 0.00 0.71 -0.02 0.52 2.10 -1.93 -1.20 117.51 117.68 3g1q h ILE 217 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3g1q h ILE 217 Cb 0.25 0.74 -0.00 0.00 -1.09 0.00 0.00 36.82 36.72 3g1q h ILE 217 CO 0.00 0.00 0.01 -0.07 -1.08 0.00 0.00 178.15 177.01 3g1q h LEU 218 N 0.00 0.00 -0.38 2.19 3.38 -1.62 -1.40 115.31 117.48 3g1q h LEU 218 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3g1q h LEU 218 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3g1q h LEU 218 CO -0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 3g1q n LEU 219 N -4.15 0.62 -0.00 1.67 4.77 -0.45 -2.90 117.00 116.56 3g1q n LEU 219 Ca -0.03 0.61 0.04 0.00 -0.03 0.00 0.00 56.01 56.61 3g1q n LEU 219 Cb 0.10 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 40.66 3g1q n LEU 219 CO 0.30 -0.38 -0.10 0.29 -1.33 0.00 0.00 177.39 176.17 3g1q n LYS 220 N -2.14 3.61 -2.72 3.23 5.02 -0.58 -5.04 118.16 119.54 3g1q n LYS 220 Ca 0.04 -0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 55.91 3g1q n LYS 220 Cb 0.30 -0.95 -0.05 0.00 -0.02 0.00 0.00 35.03 34.30 3g1q n LYS 220 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3g1q s LEU 221 N -2.57 4.55 0.14 -0.35 1.43 -0.91 -4.99 118.68 115.98 3g1q s LEU 221 Ca 0.02 1.87 -0.34 0.00 -1.03 0.00 0.00 54.13 54.66 3g1q s LEU 221 Cb 0.06 -3.60 -0.13 0.00 0.03 0.00 0.00 46.19 42.55 3g1q s LEU 221 CO 0.36 -0.01 1.64 -2.65 0.23 0.00 0.00 176.35 175.92 3g1q n PRO 222 N 2.32 2.25 -4.13 1.29 -0.02 -1.26 -4.98 135.00 130.45 3g1q n PRO 222 Ca 0.01 0.81 -0.16 0.00 -2.02 0.00 0.00 63.50 62.14 3g1q n PRO 222 Cb 0.48 -2.60 -0.15 0.00 -0.02 0.00 0.00 33.50 31.21 3g1q n PRO 222 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3g1q s LEU 223 N 1.34 1.86 0.46 2.45 1.43 -1.26 -5.02 118.68 119.94 3g1q s LEU 223 Ca 0.80 -0.09 0.24 0.00 -1.03 0.00 0.00 54.13 54.05 3g1q s LEU 223 Cb -0.65 -0.28 1.08 0.00 0.03 0.00 0.00 46.19 46.37 3g1q s LEU 223 CO 0.39 0.03 1.91 1.55 0.23 0.00 0.00 176.35 180.46 3g1q h PRO 224 N 6.26 0.00 0.00 1.29 0.13 -2.02 -2.23 132.00 135.43 3g1q h PRO 224 Ca -0.30 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.75 3g1q h PRO 224 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3g1q h PRO 224 CO 0.50 0.22 -0.37 1.96 -0.23 0.00 0.00 178.00 180.07 3g1q h GLN 225 N 0.00 0.00 -0.75 0.86 7.50 -1.95 -3.11 115.11 117.66 3g1q h GLN 225 Ca -0.00 0.00 0.05 0.00 0.50 0.00 0.00 58.65 59.20 3g1q h GLN 225 Cb 0.61 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 28.08 3g1q h GLN 225 CO 0.03 0.37 0.45 0.77 -1.50 0.00 0.00 178.83 178.95 3g1q h SER 226 N 0.00 0.72 -0.51 1.46 0.02 -1.74 -0.74 113.55 112.75 3g1q h SER 226 Ca -0.00 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3g1q h SER 226 Cb 0.69 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 3g1q h SER 226 CO 0.05 0.47 0.31 0.00 -1.14 0.00 0.00 176.83 176.52 3g1q h ALA 227 N 1.35 0.66 -0.30 3.77 0.00 -1.66 0.28 119.26 123.36 3g1q h ALA 227 Ca 0.32 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 3g1q h ALA 227 Cb 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3g1q h ALA 227 CO -0.15 0.14 -0.29 0.00 0.00 0.00 0.00 179.25 178.95 3g1q h ARG 228 N 0.69 0.62 -0.22 0.00 3.08 -1.46 -0.42 114.38 116.67 3g1q h ARG 228 Ca 0.18 -0.26 -0.19 0.00 0.07 0.00 0.00 59.98 59.78 3g1q h ARG 228 Cb -0.01 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3g1q h ARG 228 CO -0.03 0.84 -0.62 0.00 -1.07 0.00 0.00 179.97 179.08 3g1q h HIS 230 N 0.56 0.44 0.30 0.00 -0.00 -0.66 -0.72 115.15 115.08 3g1q h HIS 230 Ca -0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.37 3g1q h HIS 230 Cb 1.22 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 28.52 3g1q h HIS 230 CO 0.07 0.18 -0.15 0.93 -0.00 0.00 0.00 177.93 178.96 3g1q h GLU 231 N 0.46 -0.39 -0.75 5.26 5.08 -0.82 0.45 114.58 123.87 3g1q h GLU 231 Ca 0.26 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 3g1q h GLU 231 Cb 0.24 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 3g1q h GLU 231 CO -0.22 -0.25 0.44 0.00 -1.00 0.00 0.00 179.01 177.98 3g1q h ALA 232 N 0.26 0.96 -0.49 3.43 0.00 -1.11 0.79 119.26 123.10 3g1q h ALA 232 Ca -0.04 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 3g1q h ALA 232 Cb 0.33 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3g1q h ALA 232 CO 0.07 0.44 -0.15 -0.09 0.00 0.00 0.00 179.25 179.52 3g1q h ARG 233 N 1.03 0.97 -0.66 0.00 2.43 -0.98 -0.78 114.38 116.39 3g1q h ARG 233 Ca 0.27 -0.39 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 3g1q h ARG 233 Cb -0.01 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 3g1q h ARG 233 CO -0.05 1.06 0.35 1.15 -1.51 0.00 0.00 179.97 180.97 3g1q h THR 234 N 0.83 1.21 0.17 0.20 2.02 -0.48 -0.77 112.91 116.09 3g1q h THR 234 Ca 0.12 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.76 3g1q h THR 234 Cb 0.72 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3g1q h THR 234 CO 0.05 0.23 -0.14 -0.33 0.37 0.00 0.00 175.52 175.71 3g1q h GLU 235 N 0.90 -0.31 -0.46 6.66 5.08 -0.62 -1.21 114.58 124.62 3g1q h GLU 235 Ca 0.23 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.66 3g1q h GLU 235 Cb 0.06 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 3g1q h GLU 235 CO -0.04 -0.21 0.19 1.25 -1.00 0.00 0.00 179.01 179.21 3g1q h LEU 236 N -0.32 0.24 -1.75 1.33 5.85 -1.04 -1.15 115.31 118.47 3g1q h LEU 236 Ca -0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3g1q h LEU 236 Cb 0.30 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3g1q h LEU 236 CO -0.02 0.17 0.17 -0.61 -0.34 0.00 0.00 178.44 177.81 3g1q h GLN 237 N 0.39 0.33 -0.02 1.25 4.15 -0.86 -1.18 115.11 119.18 3g1q h GLN 237 Ca 0.21 -0.02 -0.17 0.00 0.77 0.00 0.00 58.65 59.44 3g1q h GLN 237 Cb 0.17 -0.08 0.01 0.00 0.21 0.00 0.00 27.48 27.80 3g1q h GLN 237 CO -0.19 0.22 -0.65 0.87 -1.93 0.00 0.00 178.83 177.16 3g1q h LYS 238 N 0.34 0.47 -0.72 1.69 1.57 -0.53 -1.10 116.57 118.31 3g1q h LYS 238 Ca 0.09 -0.49 0.05 0.00 -1.87 0.00 0.00 60.65 58.44 3g1q h LYS 238 Cb -0.04 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 3g1q h LYS 238 CO -0.02 1.13 0.47 0.82 -0.57 0.00 0.00 179.45 181.28 3g1q h ILE 239 N 0.01 1.07 -0.22 1.86 2.04 -0.84 -1.80 117.51 119.61 3g1q h ILE 239 Ca -0.08 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.41 3g1q h ILE 239 Cb 1.34 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3g1q h ILE 239 CO 0.13 0.15 -0.22 -0.07 0.00 0.00 0.00 178.15 178.14 3g1q h LEU 240 N 0.81 0.58 -0.74 1.44 3.38 -1.00 -1.58 115.31 118.20 3g1q h LEU 240 Ca 0.30 -0.47 0.12 0.00 0.09 0.00 0.00 57.88 57.91 3g1q h LEU 240 Cb 0.15 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.66 3g1q h LEU 240 CO -0.09 0.94 0.34 -1.28 0.09 0.00 0.00 178.44 178.44 3g1q h SER 241 N 0.24 0.40 0.60 -0.43 0.87 -0.70 0.11 113.55 114.64 3g1q h SER 241 Ca 0.04 0.08 -0.15 0.00 -1.23 0.00 0.00 61.79 60.53 3g1q h SER 241 Cb 0.77 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 3g1q h SER 241 CO 0.05 0.19 -0.69 -0.33 -0.53 0.00 0.00 176.83 175.53 3g1q h GLU 242 N 0.54 0.08 -0.29 2.24 5.08 -1.20 -1.07 114.58 119.95 3g1q h GLU 242 Ca 0.39 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.62 3g1q h GLU 242 Cb 0.51 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3g1q h GLU 242 CO -0.33 0.74 -0.07 0.82 -1.00 0.00 0.00 179.01 179.16 3g1q h ILE 243 N 0.05 1.28 -0.57 3.13 5.03 -0.69 -1.17 117.51 124.58 3g1q h ILE 243 Ca -0.01 -1.10 -0.02 0.00 -0.12 0.00 0.00 64.86 63.60 3g1q h ILE 243 Cb 1.23 1.40 -0.03 0.00 -3.03 0.00 0.00 36.82 36.39 3g1q h ILE 243 CO 0.10 0.35 0.28 0.40 -0.68 0.00 0.00 178.15 178.59 3g1q h ILE 244 N 0.33 1.20 -0.29 -0.67 2.04 -0.82 0.90 117.51 120.21 3g1q h ILE 244 Ca 0.07 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.37 3g1q h ILE 244 Cb 0.55 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3g1q h ILE 244 CO 0.03 0.23 0.17 0.40 0.00 0.00 0.00 178.15 178.98 3g1q h ILE 245 N 0.77 1.04 -0.34 -0.67 2.04 -1.18 -1.93 117.51 117.24 3g1q h ILE 245 Ca 0.20 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 3g1q h ILE 245 Cb 0.11 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3g1q h ILE 245 CO -0.03 0.06 0.19 0.00 0.00 0.00 0.00 178.15 178.37 3g1q h ALA 246 N 1.13 0.44 -0.80 1.87 0.00 -0.67 -2.08 119.26 119.14 3g1q h ALA 246 Ca 0.11 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3g1q h ALA 246 Cb -0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3g1q h ALA 246 CO -0.05 -0.03 0.53 0.00 0.00 0.00 0.00 179.25 179.69 3g1q h ARG 247 N 0.43 0.97 -0.20 0.00 3.08 -0.80 -0.19 114.38 117.67 3g1q h ARG 247 Ca 0.12 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 3g1q h ARG 247 Cb 0.06 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3g1q h ARG 247 CO -0.02 0.64 -0.22 0.87 -1.07 0.00 0.00 179.97 180.18 3g1q h LYS 248 N 1.00 0.36 -0.21 0.04 1.57 -0.97 -1.49 116.57 116.88 3g1q h LYS 248 Ca 0.32 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.88 3g1q h LYS 248 Cb 0.02 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 3g1q h LYS 248 CO -0.09 0.57 -0.26 0.93 -0.57 0.00 0.00 179.45 180.03 3g1q h GLU 249 N 0.33 0.54 0.00 3.15 5.08 -0.67 -3.11 114.58 119.90 3g1q h GLU 249 Ca 0.05 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 3g1q h GLU 249 Cb 0.57 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 3g1q h GLU 249 CO 0.04 0.90 -0.09 0.93 -1.00 0.00 0.00 179.01 179.79 3g1q h GLU 250 N 0.22 0.00 0.00 2.33 5.08 -0.81 -3.01 114.58 118.39 3g1q h GLU 250 Ca 0.03 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 3g1q h GLU 250 Cb 0.82 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3g1q h GLU 250 CO 0.06 0.09 -0.40 0.93 -1.00 0.00 0.00 179.01 178.69 3g1q h GLU 251 N 0.00 0.00 -0.54 2.33 5.08 -1.21 0.13 114.58 120.37 3g1q h GLU 251 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3g1q h GLU 251 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3g1q h GLU 251 CO 0.01 0.40 0.00 0.28 -1.00 0.00 0.00 179.01 178.70 3g1q n VAL 252 N -3.43 0.72 0.04 3.13 0.31 -1.14 -4.62 118.33 113.34 3g1q n VAL 252 Ca 0.00 -0.80 0.00 0.00 -0.01 0.00 0.00 64.34 63.53 3g1q n VAL 252 Cb 0.57 0.60 0.00 0.00 -0.91 0.00 0.00 33.84 34.09 3g1q n VAL 252 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3g1q n ASN 253 N 1.36 0.09 0.00 4.52 3.02 -1.13 -5.10 115.26 118.03 3g1q n ASN 253 Ca 0.21 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 3g1q n ASN 253 Cb 0.55 0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 3g1q n ASN 253 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3g1q n LYS 254 N -2.98 0.00 0.00 3.52 5.02 0.45 -5.09 118.16 119.08 3g1q n LYS 254 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3g1q n LYS 254 Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 3g1q n LYS 254 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3g1q n THR 258 N 0.00 0.00 -4.04 -0.18 -1.04 -1.26 -4.94 114.28 102.82 3g1q n THR 258 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 3g1q n THR 258 Cb 0.00 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.36 3g1q n THR 258 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3g1q s SER 259 N 0.00 4.22 0.00 8.00 0.15 -1.26 -4.93 113.70 119.88 3g1q s SER 259 Ca 0.00 -1.30 0.00 0.00 0.70 0.00 0.00 55.95 55.35 3g1q s SER 259 Cb 0.00 -1.45 0.00 0.00 -1.71 0.00 0.00 66.02 62.86 3g1q s SER 259 CO 0.00 -0.19 0.00 -0.90 1.20 0.00 0.00 173.24 173.35 3g1q n ASP 260 N 4.50 0.00 -0.11 5.45 5.68 -1.26 -4.82 116.55 125.99 3g1q n ASP 260 Ca -0.14 -0.81 -0.05 0.00 -0.50 0.00 0.00 54.79 53.30 3g1q n ASP 260 Cb 0.43 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.43 3g1q n ASP 260 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3g1q h LEU 261 N 0.00 -0.13 -0.72 -2.12 5.85 -1.01 -0.58 115.31 116.60 3g1q h LEU 261 Ca 0.00 0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.88 3g1q h LEU 261 Cb 0.00 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 3g1q h LEU 261 CO 0.00 -0.03 0.39 0.25 -0.34 0.00 0.00 178.44 178.71 3g1q h LEU 262 N 0.11 0.54 -0.36 2.25 5.85 -1.97 -0.43 115.31 121.30 3g1q h LEU 262 Ca 0.18 0.05 -0.17 0.00 0.84 0.00 0.00 57.88 58.78 3g1q h LEU 262 Cb 0.25 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3g1q h LEU 262 CO -0.30 0.33 -0.81 0.77 -0.34 0.00 0.00 178.44 178.09 3g1q h SER 263 N 0.68 0.00 -0.22 1.25 4.64 -1.74 -1.23 113.55 116.92 3g1q h SER 263 Ca 0.34 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.62 3g1q h SER 263 Cb 0.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3g1q h SER 263 CO -0.23 0.81 -0.01 1.23 -0.87 0.00 0.00 176.83 177.76 3g1q h GLY 264 N 2.46 0.43 1.21 -0.77 0.00 -0.47 -2.07 103.07 103.86 3g1q h GLY 264 Ca -0.01 -0.33 -0.14 0.00 0.00 0.00 0.00 47.33 46.85 3g1q h GLY 264 CO 0.11 0.30 -0.29 1.41 0.00 0.00 0.00 176.54 178.07 3g1q h LEU 265 N 0.16 0.93 -2.13 3.11 3.38 -0.87 -2.60 115.31 117.28 3g1q h LEU 265 Ca 0.06 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 3g1q h LEU 265 Cb 0.43 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3g1q h LEU 265 CO 0.01 1.15 -0.07 -0.07 0.09 0.00 0.00 178.44 179.55 3g1q h LEU 266 N 0.75 0.00 -0.01 1.67 3.38 -1.18 -2.13 115.31 117.79 3g1q h LEU 266 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3g1q h LEU 266 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3g1q h LEU 266 CO 0.08 0.07 -0.32 -1.54 0.09 0.00 0.00 178.44 176.82 3g1q n SER 267 N -3.66 0.33 -4.77 -0.43 3.41 -0.79 -4.84 113.62 102.88 3g1q n SER 267 Ca -0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.19 3g1q n SER 267 Cb 0.18 -0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.12 3g1q n SER 267 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g1q s ALA 268 N -2.99 3.28 -0.06 7.33 0.00 -0.80 -5.03 121.76 123.50 3g1q s ALA 268 Ca 0.12 1.46 0.02 0.00 0.00 0.00 0.00 51.96 53.57 3g1q s ALA 268 Cb 0.18 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.73 3g1q s ALA 268 CO 0.63 -1.15 -0.10 0.08 0.00 0.00 0.00 175.76 175.22 3g1q s VAL 269 N -1.20 0.99 1.12 0.00 1.01 -1.26 -3.98 120.40 117.08 3g1q s VAL 269 Ca 0.60 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 62.05 3g1q s VAL 269 Cb -0.44 -0.91 0.26 0.00 0.00 0.00 0.00 36.38 35.29 3g1q s VAL 269 CO 0.57 0.32 1.05 -0.31 0.00 0.00 0.00 175.10 176.72 3g1q s TYR 270 N 0.65 1.49 0.38 5.22 1.51 0.85 -4.87 117.35 122.57 3g1q s TYR 270 Ca -0.13 1.22 0.39 0.00 -1.01 0.00 0.00 57.07 57.54 3g1q s TYR 270 Cb -0.15 -3.14 1.92 0.00 -0.11 0.00 0.00 41.96 40.48 3g1q s TYR 270 CO 0.03 -3.63 2.18 0.00 -1.11 0.00 0.00 175.55 173.02 3g1q h ARG 271 N -2.45 0.00 -0.07 -0.62 2.47 -2.00 -2.07 114.38 109.65 3g1q h ARG 271 Ca -0.59 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.15 3g1q h ARG 271 Cb 1.33 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.64 3g1q h ARG 271 CO 0.51 0.00 0.14 -0.44 0.56 0.00 0.00 179.97 180.73 3g1q h ASP 272 N 0.00 0.00 0.00 7.04 3.32 -2.03 -3.45 116.42 121.29 3g1q h ASP 272 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g1q h ASP 272 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3g1q h ASP 272 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 3g1q n GLY 273 N -1.26 0.83 3.86 2.75 0.00 -0.78 -5.06 105.19 105.53 3g1q n GLY 273 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 3g1q n GLY 273 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g1q s THR 274 N -3.26 4.82 0.66 2.61 -4.23 -1.26 -4.82 115.64 110.15 3g1q s THR 274 Ca 0.00 -0.94 -0.03 0.00 -1.18 0.00 0.00 61.69 59.54 3g1q s THR 274 Cb 0.00 -3.48 0.07 0.00 1.34 0.00 0.00 72.50 70.43 3g1q s THR 274 CO 0.00 -0.11 0.93 -2.16 -0.54 0.00 0.00 174.62 172.74 3g1q s PRO 275 N -3.19 2.17 0.28 3.99 0.04 -1.26 -0.11 135.00 136.93 3g1q s PRO 275 Ca 0.32 -0.63 -0.29 0.00 0.04 0.00 0.00 61.00 60.44 3g1q s PRO 275 Cb -0.10 -2.31 -0.10 0.00 0.04 0.00 0.00 34.50 32.03 3g1q s PRO 275 CO 0.25 -1.12 1.12 1.41 0.04 0.00 0.00 177.00 178.71 3g1q s MET 276 N -5.06 4.61 0.89 4.56 1.75 -1.26 -4.85 119.30 119.94 3g1q s MET 276 Ca 0.61 1.85 -0.11 0.00 -1.25 0.00 0.00 55.69 56.79 3g1q s MET 276 Cb -0.09 -3.18 0.13 0.00 2.84 0.00 0.00 34.83 34.52 3g1q s MET 276 CO 0.42 0.17 1.11 -1.54 -0.65 0.00 0.00 175.02 174.53 3g1q s SER 277 N -0.82 3.36 0.30 1.11 1.04 -1.26 -4.86 113.70 112.58 3g1q s SER 277 Ca 0.45 1.89 -0.01 0.00 0.48 0.00 0.00 55.95 58.76 3g1q s SER 277 Cb -0.33 -2.46 0.46 0.00 0.10 0.00 0.00 66.02 63.79 3g1q s SER 277 CO 0.42 -2.77 1.88 0.25 0.98 0.00 0.00 173.24 174.01 3g1q h LEU 278 N -1.64 0.78 -0.85 2.42 6.46 -1.99 -1.21 115.31 119.28 3g1q h LEU 278 Ca -0.46 -0.10 0.14 0.00 -0.12 0.00 0.00 57.88 57.34 3g1q h LEU 278 Cb 1.26 -0.20 -0.09 0.00 -0.73 0.00 0.00 40.66 40.90 3g1q h LEU 278 CO 0.48 0.70 0.45 -0.74 -0.62 0.00 0.00 178.44 178.70 3g1q h HIS 279 N 0.85 0.79 -0.05 1.25 2.76 -1.98 0.19 115.15 118.95 3g1q h HIS 279 Ca 0.20 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.35 3g1q h HIS 279 Cb 0.15 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 28.90 3g1q h HIS 279 CO 0.01 0.20 -0.20 0.93 -1.30 0.00 0.00 177.93 177.58 3g1q h GLU 280 N 0.65 0.23 -0.33 5.26 5.08 -1.76 -0.81 114.58 122.90 3g1q h GLU 280 Ca 0.46 -0.17 0.05 0.00 -1.00 0.00 0.00 59.36 58.69 3g1q h GLU 280 Cb 0.62 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 3g1q h GLU 280 CO -0.35 0.81 0.08 0.28 -1.00 0.00 0.00 179.01 178.83 3g1q h VAL 281 N -0.31 0.85 -0.94 3.13 2.07 -1.04 0.79 116.25 120.80 3g1q h VAL 281 Ca -0.01 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3g1q h VAL 281 Cb 0.84 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 3g1q h VAL 281 CO 0.04 0.04 0.56 0.00 0.02 0.00 0.00 177.57 178.23 3g1q h GLY 283 N 1.30 1.25 1.73 0.00 0.00 -0.37 -2.34 103.07 104.64 3g1q h GLY 283 Ca 0.34 -0.61 -0.17 0.00 0.00 0.00 0.00 47.33 46.89 3g1q h GLY 283 CO -0.06 0.58 -0.71 -0.33 0.00 0.00 0.00 176.54 176.01 3g1q h MET 284 N 1.15 0.26 -0.11 4.80 2.86 -0.55 -0.42 114.93 122.93 3g1q h MET 284 Ca 0.28 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3g1q h MET 284 Cb 0.10 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 3g1q h MET 284 CO -0.04 0.87 0.06 0.82 1.06 0.00 0.00 176.91 179.68 3g1q h ILE 285 N 0.18 1.07 -0.53 -1.22 2.04 -1.09 -2.35 117.51 115.62 3g1q h ILE 285 Ca -0.02 -0.20 0.08 0.00 1.00 0.00 0.00 64.86 65.72 3g1q h ILE 285 Cb 1.27 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 38.30 3g1q h ILE 285 CO 0.11 0.07 0.17 0.58 0.00 0.00 0.00 178.15 179.08 3g1q h VAL 286 N 0.10 0.78 -0.53 1.67 2.07 -1.26 -1.84 116.25 117.24 3g1q h VAL 286 Ca 0.04 -0.11 0.07 0.00 0.82 0.00 0.00 66.70 67.51 3g1q h VAL 286 Cb 0.05 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.19 3g1q h VAL 286 CO -0.01 0.06 0.22 0.00 0.02 0.00 0.00 177.57 177.86 3g1q h ALA 287 N 1.37 0.67 -0.60 1.67 0.00 -0.97 0.74 119.26 122.14 3g1q h ALA 287 Ca 0.26 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3g1q h ALA 287 Cb 0.31 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3g1q h ALA 287 CO -0.29 -0.17 0.37 0.00 0.00 0.00 0.00 179.25 179.17 3g1q h ALA 288 N 1.34 0.76 -0.39 0.00 0.00 -0.95 0.20 119.26 120.22 3g1q h ALA 288 Ca 0.25 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3g1q h ALA 288 Cb 0.25 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3g1q h ALA 288 CO -0.23 0.23 0.06 0.52 0.00 0.00 0.00 179.25 179.82 3g1q h MET 289 N 0.81 0.64 -0.10 0.00 2.86 -0.67 -1.52 114.93 116.95 3g1q h MET 289 Ca 0.22 -0.18 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 3g1q h MET 289 Cb -0.04 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 3g1q h MET 289 CO -0.04 0.70 -0.37 0.74 1.06 0.00 0.00 176.91 179.00 3g1q h PHE 290 N 0.49 0.23 0.02 -0.22 -1.00 -0.63 -1.44 116.94 114.38 3g1q h PHE 290 Ca 0.12 -0.06 -0.22 0.00 2.81 0.00 0.00 57.97 60.62 3g1q h PHE 290 Cb 0.37 -0.05 -0.03 0.00 3.61 0.00 0.00 35.95 39.86 3g1q h PHE 290 CO 0.03 0.55 -1.02 0.00 -1.61 0.00 0.00 178.31 176.25 3g1q h ALA 291 N 1.45 0.33 0.00 2.45 0.00 -0.48 -3.40 119.26 119.61 3g1q h ALA 291 Ca 0.02 -0.90 -0.02 0.00 0.00 0.00 0.00 54.91 54.00 3g1q h ALA 291 Cb 0.74 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3g1q h ALA 291 CO 0.06 1.20 -1.75 0.41 0.00 0.00 0.00 179.25 179.17 3g1q n GLY 292 N 1.35 -0.73 0.16 0.00 0.00 -0.58 -4.51 105.19 100.87 3g1q n GLY 292 Ca -0.01 -0.37 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 3g1q n GLY 292 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3g1q h GLN 293 N 0.00 -0.29 -0.26 1.61 5.75 -1.48 -2.82 115.11 117.62 3g1q h GLN 293 Ca -0.04 0.02 -0.09 0.00 -0.15 0.00 0.00 58.65 58.39 3g1q h GLN 293 Cb 0.84 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.45 3g1q h GLN 293 CO 0.00 -0.19 -0.20 0.45 -2.65 0.00 0.00 178.83 176.24 3g1q h HIS 294 N -1.07 0.71 -0.50 3.99 3.86 -1.83 -2.14 115.15 118.16 3g1q h HIS 294 Ca -0.03 -0.20 0.08 0.00 -1.16 0.00 0.00 60.37 59.07 3g1q h HIS 294 Cb 0.23 -0.16 -0.07 0.00 1.06 0.00 0.00 27.41 28.47 3g1q h HIS 294 CO 0.00 0.89 0.10 1.79 0.86 0.00 0.00 177.93 181.57 3g1q h THR 295 N 0.33 0.72 -0.28 2.45 1.35 -1.79 0.43 112.91 116.12 3g1q h THR 295 Ca 0.05 -0.08 -0.13 0.00 -0.55 0.00 0.00 66.41 65.69 3g1q h THR 295 Cb 0.74 0.46 -0.00 0.00 -1.73 0.00 0.00 68.15 67.62 3g1q h THR 295 CO 0.05 0.04 -0.34 0.28 -0.25 0.00 0.00 175.52 175.30 3g1q h SER 296 N 0.24 0.79 -0.52 5.36 0.02 -1.41 -1.62 113.55 116.41 3g1q h SER 296 Ca 0.25 -0.49 -0.07 0.00 -0.84 0.00 0.00 61.79 60.63 3g1q h SER 296 Cb 0.33 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3g1q h SER 296 CO -0.32 1.13 0.04 0.77 -1.14 0.00 0.00 176.83 177.30 3g1q h SER 297 N 0.48 0.87 -0.59 3.07 4.64 -1.19 -1.80 113.55 119.03 3g1q h SER 297 Ca 0.04 -0.29 -0.05 0.00 -0.47 0.00 0.00 61.79 61.02 3g1q h SER 297 Cb 0.93 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 3g1q h SER 297 CO 0.08 0.94 0.18 0.40 -0.87 0.00 0.00 176.83 177.57 3g1q h ILE 298 N 0.77 1.24 -0.69 0.95 2.04 -0.85 -0.79 117.51 120.18 3g1q h ILE 298 Ca 0.15 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 3g1q h ILE 298 Cb 0.47 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 3g1q h ILE 298 CO 0.02 0.31 0.34 0.74 0.00 0.00 0.00 178.15 179.56 3g1q h THR 299 N 0.83 1.23 0.15 -0.27 2.02 -1.14 0.13 112.91 115.86 3g1q h THR 299 Ca 0.19 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 3g1q h THR 299 Cb 0.29 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3g1q h THR 299 CO -0.01 0.26 -0.07 0.74 0.37 0.00 0.00 175.52 176.82 3g1q h THR 300 N 0.96 0.92 0.13 3.16 2.02 -1.11 -1.67 112.91 117.31 3g1q h THR 300 Ca 0.24 -0.27 0.02 0.00 0.77 0.00 0.00 66.41 67.17 3g1q h THR 300 Cb 0.10 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 3g1q h THR 300 CO -0.03 0.06 -0.27 0.74 0.37 0.00 0.00 175.52 176.39 3g1q h THR 301 N -0.32 0.41 -0.81 3.16 2.02 -0.91 -1.93 112.91 114.53 3g1q h THR 301 Ca -0.02 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.24 3g1q h THR 301 Cb 0.26 0.41 -0.07 0.00 -1.74 0.00 0.00 68.15 67.01 3g1q h THR 301 CO 0.03 0.00 0.47 -0.50 0.37 0.00 0.00 175.52 175.90 3g1q h TRP 302 N -0.48 0.87 -0.75 3.16 -0.00 -0.73 -1.29 115.95 116.72 3g1q h TRP 302 Ca 0.03 0.03 -0.05 0.00 -0.00 0.00 0.00 58.89 58.89 3g1q h TRP 302 Cb 0.51 -0.27 -0.03 0.00 -0.00 0.00 0.00 29.16 29.36 3g1q h TRP 302 CO -0.24 0.39 0.26 0.77 -0.00 0.00 0.00 178.44 179.62 3g1q h SER 303 N 0.83 1.07 -0.16 -3.49 0.02 -0.71 -0.42 113.55 110.69 3g1q h SER 303 Ca 0.37 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 3g1q h SER 303 Cb 0.27 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 3g1q h SER 303 CO -0.21 0.97 -0.13 0.24 -1.14 0.00 0.00 176.83 176.56 3g1q h MET 304 N 1.11 0.37 -0.88 3.45 2.86 -1.13 0.49 114.93 121.20 3g1q h MET 304 Ca 0.25 -0.19 0.13 0.00 -2.06 0.00 0.00 59.70 57.83 3g1q h MET 304 Cb 0.27 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.84 3g1q h MET 304 CO -0.01 0.73 0.50 -0.07 1.06 0.00 0.00 176.91 179.12 3g1q h LEU 305 N 0.01 0.66 -0.25 1.22 3.38 -0.91 -0.67 115.31 118.76 3g1q h LEU 305 Ca 0.03 0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 3g1q h LEU 305 Cb 0.65 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3g1q h LEU 305 CO 0.03 0.32 -0.32 0.45 0.09 0.00 0.00 178.44 179.02 3g1q h HIS 306 N 0.75 0.79 -0.81 1.13 3.86 -0.95 -3.18 115.15 116.74 3g1q h HIS 306 Ca 0.46 -0.26 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 3g1q h HIS 306 Cb 0.57 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.85 3g1q h HIS 306 CO -0.06 1.00 0.49 -0.07 0.86 0.00 0.00 177.93 180.15 3g1q h LEU 307 N 0.36 0.97 0.00 2.43 3.38 -0.23 -2.93 115.31 119.29 3g1q h LEU 307 Ca 0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3g1q h LEU 307 Cb 0.89 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3g1q h LEU 307 CO 0.07 0.74 -0.25 1.15 0.09 0.00 0.00 178.44 180.24 3g1q n MET 308 N -4.38 0.07 -2.70 1.13 0.00 -0.32 -4.53 117.12 106.39 3g1q n MET 308 Ca 0.09 0.04 -0.41 0.00 0.00 0.00 0.00 57.70 57.42 3g1q n MET 308 Cb 0.06 -1.57 -0.05 0.00 0.00 0.00 0.00 33.22 31.67 3g1q n MET 308 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 3g1q s HIS 309 N -3.04 3.84 0.53 3.17 5.04 -1.11 -4.52 115.29 119.20 3g1q s HIS 309 Ca 0.12 1.81 0.19 0.00 -1.54 0.00 0.00 55.06 55.64 3g1q s HIS 309 Cb 0.17 -3.06 1.35 0.00 0.04 0.00 0.00 32.58 31.07 3g1q s HIS 309 CO 0.62 0.18 2.14 -1.35 -2.34 0.00 0.00 174.74 173.99 3g1q h PRO 310 N 5.01 0.00 0.00 2.88 0.11 -1.88 0.58 132.00 138.69 3g1q h PRO 310 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3g1q h PRO 310 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3g1q h PRO 310 CO 0.70 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.49 3g1q h ALA 311 N 1.96 1.00 -0.18 -0.75 0.00 -1.92 -2.77 119.26 116.60 3g1q h ALA 311 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3g1q h ALA 311 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3g1q h ALA 311 CO -0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 3g1q n ASN 312 N -2.71 3.24 -0.33 0.00 3.02 0.19 -4.74 115.26 113.93 3g1q n ASN 312 Ca -0.02 -2.86 0.21 0.00 -0.03 0.00 0.00 54.58 51.88 3g1q n ASN 312 Cb 0.08 -0.44 0.42 0.00 -0.61 0.00 0.00 39.78 39.22 3g1q n ASN 312 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3g1q h VAL 313 N 1.22 0.32 0.00 2.41 -1.51 -1.56 0.21 116.25 117.34 3g1q h VAL 313 Ca 0.00 -0.11 -0.03 0.00 -1.23 0.00 0.00 66.70 65.33 3g1q h VAL 313 Cb 1.18 -0.02 -0.00 0.00 -2.13 0.00 0.00 31.29 30.32 3g1q h VAL 313 CO 0.12 0.06 -0.15 0.11 -1.23 0.00 0.00 177.57 176.48 3g1q h LYS 314 N 0.32 0.00 0.16 5.19 1.57 -1.87 0.21 116.57 122.14 3g1q h LYS 314 Ca 0.68 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 59.20 3g1q h LYS 314 Cb 1.49 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.82 3g1q h LYS 314 CO -0.61 0.15 -1.24 0.45 -0.57 0.00 0.00 179.45 177.63 3g1q h HIS 315 N 0.00 0.62 -0.46 -1.35 3.86 -1.00 -2.57 115.15 114.26 3g1q h HIS 315 Ca -0.00 -0.45 -0.04 0.00 -1.16 0.00 0.00 60.37 58.72 3g1q h HIS 315 Cb 0.37 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 3g1q h HIS 315 CO 0.00 1.48 0.13 1.25 0.86 0.00 0.00 177.93 181.65 3g1q h LEU 316 N -0.20 0.63 0.11 2.43 5.85 -0.99 -0.27 115.31 122.87 3g1q h LEU 316 Ca -0.24 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 3g1q h LEU 316 Cb 1.84 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.71 3g1q h LEU 316 CO 0.15 0.61 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.73 3g1q h GLU 317 N 0.67 -0.14 -0.98 1.25 4.57 -1.01 -1.17 114.58 117.76 3g1q h GLU 317 Ca 0.15 0.01 0.20 0.00 -1.18 0.00 0.00 59.36 58.55 3g1q h GLU 317 Cb 0.23 0.03 -0.11 0.00 -0.16 0.00 0.00 28.75 28.74 3g1q h GLU 317 CO -0.01 0.03 0.57 0.00 -1.18 0.00 0.00 179.01 178.43 3g1q h ALA 318 N 0.58 1.64 0.06 2.92 0.00 -1.16 0.38 119.26 123.69 3g1q h ALA 318 Ca -0.02 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3g1q h ALA 318 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3g1q h ALA 318 CO 0.03 -0.13 -0.03 1.25 0.00 0.00 0.00 179.25 180.36 3g1q h LEU 319 N 0.67 -0.07 -1.05 0.00 5.85 -0.60 -1.39 115.31 118.73 3g1q h LEU 319 Ca 0.58 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 59.05 3g1q h LEU 319 Cb 0.97 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 3g1q h LEU 319 CO -0.42 0.18 0.28 0.03 -0.34 0.00 0.00 178.44 178.18 3g1q h ARG 320 N -0.32 0.96 -0.17 1.25 3.08 -0.64 -0.61 114.38 117.93 3g1q h ARG 320 Ca -0.01 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 3g1q h ARG 320 Cb 0.28 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3g1q h ARG 320 CO 0.01 0.77 -0.00 0.87 -1.07 0.00 0.00 179.97 180.55 3g1q h LYS 321 N 0.95 0.25 -0.03 0.04 1.57 -0.04 0.23 116.57 119.55 3g1q h LYS 321 Ca 0.23 -0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 58.74 3g1q h LYS 321 Cb 0.16 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.43 3g1q h LYS 321 CO -0.02 0.27 -0.93 1.49 -0.57 0.00 0.00 179.45 179.70 3g1q h GLU 322 N 0.24 0.53 0.00 3.15 4.81 -0.13 -3.34 114.58 119.83 3g1q h GLU 322 Ca 0.06 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3g1q h GLU 322 Cb 0.17 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3g1q h GLU 322 CO 0.00 1.16 -0.96 0.44 -0.73 0.00 0.00 179.01 178.93 3g1q n ILE 323 N -3.80 0.21 -0.28 2.32 -5.35 -0.34 -4.54 119.36 107.57 3g1q n ILE 323 Ca -0.08 -0.25 0.08 0.00 -0.27 0.00 0.00 62.75 62.23 3g1q n ILE 323 Cb 0.82 0.14 0.21 0.00 -1.74 0.00 0.00 39.64 39.07 3g1q n ILE 323 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3g1q h GLU 324 N 0.00 0.13 -0.61 6.28 4.81 -0.68 -1.73 114.58 122.78 3g1q h GLU 324 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3g1q h GLU 324 Cb 0.74 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.09 3g1q h GLU 324 CO 0.00 0.08 0.00 0.39 -0.73 0.00 0.00 179.01 178.75 3g1q n GLU 325 N -5.32 2.93 -2.75 1.92 -0.58 -1.26 -4.92 120.64 110.67 3g1q n GLU 325 Ca 0.17 -2.13 -0.40 0.00 -0.42 0.00 0.00 57.16 54.38 3g1q n GLU 325 Cb 0.56 -1.69 -0.06 0.00 -0.57 0.00 0.00 31.44 29.68 3g1q n GLU 325 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3g1q s PHE 326 N -1.68 3.97 1.24 -0.32 2.99 -0.65 -5.07 117.98 118.46 3g1q s PHE 326 Ca 0.38 1.91 -0.17 0.00 0.00 0.00 0.00 56.93 59.05 3g1q s PHE 326 Cb 0.24 -2.99 0.27 0.00 0.00 0.00 0.00 43.02 40.54 3g1q s PHE 326 CO 0.20 0.43 0.68 -0.35 -0.00 0.00 0.00 175.22 176.18 3g1q n PRO 327 N 1.59 -2.99 0.17 0.24 -0.04 -1.26 -4.95 135.00 127.76 3g1q n PRO 327 Ca -0.02 -0.86 0.03 0.00 -0.04 0.00 0.00 63.50 62.61 3g1q n PRO 327 Cb 0.47 -1.92 0.26 0.00 -0.04 0.00 0.00 33.50 32.26 3g1q n PRO 327 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3g1q h ALA 328 N -2.85 0.95 -2.64 0.55 0.00 -1.99 -3.38 119.26 109.90 3g1q h ALA 328 Ca -0.52 -0.43 -0.76 0.00 0.00 0.00 0.00 54.91 53.21 3g1q h ALA 328 Cb 1.29 -0.07 -0.27 0.00 0.00 0.00 0.00 17.79 18.73 3g1q h ALA 328 CO 0.37 0.58 -0.13 -0.65 0.00 0.00 0.00 179.25 179.43 3g1q s GLN 329 N -3.54 3.11 0.68 0.00 -1.52 -1.26 -5.08 119.66 112.06 3g1q s GLN 329 Ca 0.00 -2.15 -0.16 0.00 -1.95 0.00 0.00 55.36 51.09 3g1q s GLN 329 Cb 0.11 -4.22 0.01 0.00 -0.22 0.00 0.00 33.01 28.69 3g1q s GLN 329 CO 0.71 -1.27 1.19 -0.51 -0.25 0.00 0.00 175.29 175.17 3g1q s LEU 330 N 0.72 3.43 0.00 2.90 1.43 -1.26 -5.07 118.68 120.83 3g1q s LEU 330 Ca 0.12 2.31 0.03 0.00 -1.03 0.00 0.00 54.13 55.56 3g1q s LEU 330 Cb -0.19 -4.59 -0.01 0.00 0.03 0.00 0.00 46.19 41.43 3g1q s LEU 330 CO -0.04 -1.96 0.11 -0.46 0.23 0.00 0.00 176.35 174.23 3g1q n ASN 331 N -2.34 1.23 -0.24 2.29 0.23 -1.26 -4.33 115.26 110.83 3g1q n ASN 331 Ca 0.13 -2.70 0.03 0.00 -0.53 0.00 0.00 54.58 51.51 3g1q n ASN 331 Cb 0.50 0.79 0.16 0.00 -2.08 0.00 0.00 39.78 39.15 3g1q n ASN 331 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 3g1q h TYR 332 N 1.52 0.48 -0.73 -2.53 3.20 -1.90 -2.26 116.97 114.75 3g1q h TYR 332 Ca -0.25 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.61 3g1q h TYR 332 Cb 0.95 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.08 3g1q h TYR 332 CO 0.00 0.09 0.30 -0.91 -1.64 0.00 0.00 178.16 175.99 3g1q h ASN 333 N 0.44 1.00 0.17 -2.11 2.35 -1.97 0.47 115.58 115.93 3g1q h ASN 333 Ca 0.37 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 3g1q h ASN 333 Cb 0.52 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.64 3g1q h ASN 333 CO -0.36 0.90 -0.08 0.78 -1.65 0.00 0.00 177.43 177.01 3g1q h ASN 334 N 1.04 -0.19 -0.01 5.81 2.35 -1.81 0.01 115.58 122.78 3g1q h ASN 334 Ca 0.24 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 3g1q h ASN 334 Cb 0.20 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3g1q h ASN 334 CO -0.02 -0.11 -0.08 0.58 -1.65 0.00 0.00 177.43 176.15 3g1q h VAL 335 N -0.26 1.56 -0.51 2.81 2.07 -1.28 -1.86 116.25 118.78 3g1q h VAL 335 Ca -0.02 -1.76 -0.10 0.00 0.82 0.00 0.00 66.70 65.64 3g1q h VAL 335 Cb 0.20 2.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 3g1q h VAL 335 CO 0.04 0.47 -0.07 0.24 0.02 0.00 0.00 177.57 178.27 3g1q h MET 336 N -0.63 0.95 0.00 1.57 2.86 -0.97 -3.33 114.93 115.38 3g1q h MET 336 Ca -0.01 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.27 3g1q h MET 336 Cb 0.81 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.39 3g1q h MET 336 CO 0.02 1.00 -1.45 -0.25 1.06 0.00 0.00 176.91 177.29 3g1q n ASP 337 N -4.23 2.87 -0.55 1.22 8.00 -0.03 -4.67 116.55 119.16 3g1q n ASP 337 Ca 0.01 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.58 3g1q n ASP 337 Cb 0.37 1.33 0.17 0.00 -0.02 0.00 0.00 41.12 42.97 3g1q n ASP 337 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3g1q n GLU 338 N -1.89 2.62 -2.44 -1.24 1.02 -0.71 -4.67 120.64 113.33 3g1q n GLU 338 Ca -0.03 -2.39 -0.23 0.00 -0.02 0.00 0.00 57.16 54.48 3g1q n GLU 338 Cb 0.32 -1.51 0.01 0.00 -0.02 0.00 0.00 31.44 30.24 3g1q n GLU 338 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3g1q n MET 339 N -0.39 3.12 0.17 3.49 2.81 -1.18 -4.85 117.12 120.28 3g1q n MET 339 Ca 0.15 -4.27 0.03 0.00 -1.81 0.00 0.00 57.70 51.80 3g1q n MET 339 Cb 0.63 -2.11 0.42 0.00 -0.71 0.00 0.00 33.22 31.45 3g1q n MET 339 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 3g1q h PRO 340 N 2.57 0.11 -0.09 0.03 0.13 -1.89 -2.05 132.00 130.81 3g1q h PRO 340 Ca 0.25 -0.03 -0.20 0.00 -0.87 0.00 0.00 66.00 65.15 3g1q h PRO 340 Cb 1.06 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.19 3g1q h PRO 340 CO 0.77 0.31 -0.73 0.35 -0.23 0.00 0.00 178.00 178.47 3g1q h PHE 341 N 0.10 0.91 -0.60 1.56 3.57 -1.96 -2.31 116.94 118.22 3g1q h PHE 341 Ca 0.02 -0.43 -0.05 0.00 3.53 0.00 0.00 57.97 61.03 3g1q h PHE 341 Cb 0.41 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 3g1q h PHE 341 CO 0.00 1.25 0.15 0.00 -2.23 0.00 0.00 178.31 177.49 3g1q h ALA 342 N 0.47 1.14 -0.88 2.41 0.00 -1.90 -0.13 119.26 120.38 3g1q h ALA 342 Ca -0.07 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.67 3g1q h ALA 342 Cb 1.38 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 3g1q h ALA 342 CO 0.15 0.58 0.56 1.49 0.00 0.00 0.00 179.25 182.03 3g1q h GLU 343 N 0.89 1.03 -0.26 0.00 4.81 -1.40 -1.65 114.58 117.99 3g1q h GLU 343 Ca 0.19 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 3g1q h GLU 343 Cb 0.31 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3g1q h GLU 343 CO -0.00 0.68 -0.27 0.00 -0.73 0.00 0.00 179.01 178.69 3g1q h ARG 344 N 1.06 0.52 0.16 1.92 3.08 -0.63 0.48 114.38 120.96 3g1q h ARG 344 Ca 0.36 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3g1q h ARG 344 Cb 0.07 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3g1q h ARG 344 CO -0.14 0.74 -0.13 0.00 -1.07 0.00 0.00 179.97 179.37 3g1q h ALA 346 N 0.51 0.68 -0.50 0.00 0.00 -0.96 -0.08 119.26 118.91 3g1q h ALA 346 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3g1q h ALA 346 Cb 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3g1q h ALA 346 CO -0.02 0.29 0.25 0.00 0.00 0.00 0.00 179.25 179.77 3g1q h ARG 347 N 0.70 0.71 -0.11 0.00 3.08 -0.83 -2.06 114.38 115.87 3g1q h ARG 347 Ca 0.17 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 3g1q h ARG 347 Cb 0.20 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3g1q h ARG 347 CO -0.01 0.58 -0.32 1.49 -1.07 0.00 0.00 179.97 180.64 3g1q h GLU 348 N 0.66 0.22 -0.77 0.04 4.57 -0.63 0.20 114.58 118.86 3g1q h GLU 348 Ca 0.17 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.28 3g1q h GLU 348 Cb 0.09 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.63 3g1q h GLU 348 CO -0.02 0.52 0.50 0.77 -1.18 0.00 0.00 179.01 179.60 3g1q h SER 349 N 0.19 0.89 -0.21 1.04 0.02 -0.50 -0.15 113.55 114.83 3g1q h SER 349 Ca 0.03 -0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 3g1q h SER 349 Cb 0.66 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 3g1q h SER 349 CO 0.05 0.66 -0.40 0.40 -1.14 0.00 0.00 176.83 176.40 3g1q h ILE 350 N 1.05 1.29 0.48 3.27 2.04 -1.15 -1.06 117.51 123.43 3g1q h ILE 350 Ca 0.28 -1.57 -0.02 0.00 1.00 0.00 0.00 64.86 64.56 3g1q h ILE 350 Cb -0.11 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 3g1q h ILE 350 CO -0.06 0.51 -0.33 -0.09 0.00 0.00 0.00 178.15 178.18 3g1q h ARG 351 N 0.61 -0.75 -0.36 2.37 1.12 -0.65 -0.85 114.38 115.87 3g1q h ARG 351 Ca 0.05 0.05 -0.12 0.00 -1.11 0.00 0.00 59.98 58.86 3g1q h ARG 351 Cb 0.94 0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 31.06 3g1q h ARG 351 CO 0.09 -0.50 -0.25 -0.09 -3.11 0.00 0.00 179.97 176.11 3g1q h ARG 352 N -0.78 0.72 -2.24 0.20 2.43 -1.03 -3.37 114.38 110.32 3g1q h ARG 352 Ca -0.05 -0.30 -0.58 0.00 -0.81 0.00 0.00 59.98 58.24 3g1q h ARG 352 Cb 0.65 -0.03 -0.40 0.00 -0.42 0.00 0.00 29.97 29.78 3g1q h ARG 352 CO 0.03 0.90 -0.92 -0.25 -1.51 0.00 0.00 179.97 178.21 3g1q n ASP 353 N -4.10 0.98 -4.70 -3.80 9.92 -0.41 -5.03 116.55 109.41 3g1q n ASP 353 Ca -0.00 -2.81 -0.42 0.00 -0.53 0.00 0.00 54.79 51.03 3g1q n ASP 353 Cb 0.44 -0.64 -0.03 0.00 -0.64 0.00 0.00 41.12 40.26 3g1q n ASP 353 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 3g1q s PRO 354 N -1.15 4.17 0.46 -0.24 0.04 -0.33 -4.59 135.00 133.36 3g1q s PRO 354 Ca 0.34 2.48 0.15 0.00 0.04 0.00 0.00 61.00 64.01 3g1q s PRO 354 Cb 0.11 -3.38 1.05 0.00 0.04 0.00 0.00 34.50 32.32 3g1q s PRO 354 CO -0.12 -0.74 2.02 -1.35 0.04 0.00 0.00 177.00 176.85 3g1q h PRO 355 N 7.70 0.00 -4.73 0.56 0.11 -1.83 -3.38 132.00 130.45 3g1q h PRO 355 Ca -0.44 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 64.99 3g1q h PRO 355 Cb 1.21 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.09 3g1q h PRO 355 CO 0.94 0.15 -0.54 -0.51 -0.21 0.00 0.00 178.00 177.83 3g1q s LEU 356 N -8.72 4.30 0.14 2.35 1.43 -1.26 -0.56 118.68 116.36 3g1q s LEU 356 Ca -0.04 -0.64 0.15 0.00 -1.03 0.00 0.00 54.13 52.57 3g1q s LEU 356 Cb 0.16 -2.02 -0.07 0.00 0.03 0.00 0.00 46.19 44.29 3g1q s LEU 356 CO 0.69 -0.25 1.08 -0.07 0.23 0.00 0.00 176.35 178.04 3g1q h LEU 357 N 8.38 0.00 -7.39 1.79 3.38 -1.90 -3.40 115.31 116.16 3g1q h LEU 357 Ca -0.30 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.37 3g1q h LEU 357 Cb 1.14 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.54 3g1q h LEU 357 CO 0.63 0.60 -0.67 -0.32 0.09 0.00 0.00 178.44 178.76 3g1q s MET 358 N -2.91 0.01 -0.11 1.13 0.00 -1.26 -2.81 119.30 113.35 3g1q s MET 358 Ca -0.00 0.36 -0.03 0.00 0.00 0.00 0.00 55.69 56.02 3g1q s MET 358 Cb 0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 34.83 34.59 3g1q s MET 358 CO 0.79 -0.23 0.00 -0.51 0.00 0.00 0.00 175.02 175.07 3g1q s LEU 359 N 1.59 3.56 0.08 4.11 1.43 0.31 -4.97 118.68 124.78 3g1q s LEU 359 Ca -0.04 0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 3g1q s LEU 359 Cb -0.12 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 3g1q s LEU 359 CO -0.04 0.32 -0.06 -0.04 0.23 0.00 0.00 176.35 176.76 3g1q s MET 360 N -0.56 0.72 0.11 1.70 -1.94 -1.26 -0.36 119.30 117.72 3g1q s MET 360 Ca 0.09 -1.20 -0.08 0.00 -1.71 0.00 0.00 55.69 52.80 3g1q s MET 360 Cb -0.12 -0.13 -0.01 0.00 2.01 0.00 0.00 34.83 36.58 3g1q s MET 360 CO 0.02 -0.03 0.20 1.03 -0.01 0.00 0.00 175.02 176.24 3g1q s ARG 361 N -3.40 0.93 -0.14 2.03 1.81 -0.17 -4.84 118.95 115.17 3g1q s ARG 361 Ca 0.06 -1.06 -0.11 0.00 -1.72 0.00 0.00 55.73 52.90 3g1q s ARG 361 Cb 0.03 0.34 -0.05 0.00 -0.45 0.00 0.00 34.95 34.82 3g1q s ARG 361 CO -0.05 -0.31 0.23 0.21 -0.68 0.00 0.00 175.30 174.71 3g1q s LYS 362 N -3.90 4.01 -0.32 3.54 2.47 0.70 -0.98 119.74 125.26 3g1q s LYS 362 Ca 0.10 0.01 -0.26 0.00 -1.56 0.00 0.00 55.97 54.26 3g1q s LYS 362 Cb 0.05 -3.34 0.01 0.00 -1.46 0.00 0.00 37.83 33.08 3g1q s LYS 362 CO -0.07 0.43 0.93 0.08 0.16 0.00 0.00 175.35 176.88 3g1q s VAL 363 N -0.10 4.65 -0.82 4.02 1.01 0.61 -0.72 120.40 129.04 3g1q s VAL 363 Ca 0.15 1.42 0.23 0.00 0.00 0.00 0.00 61.98 63.78 3g1q s VAL 363 Cb -0.13 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 31.88 3g1q s VAL 363 CO 0.04 -0.38 1.15 0.23 0.00 0.00 0.00 175.10 176.13 3g1q n MET 364 N 6.55 0.14 -3.52 2.72 0.00 0.71 -0.95 117.12 122.77 3g1q n MET 364 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 57.70 57.63 3g1q n MET 364 Cb 0.48 -1.55 -0.05 0.00 0.00 0.00 0.00 33.22 32.10 3g1q n MET 364 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3g1q s ALA 365 N -3.09 -1.57 0.28 3.04 0.00 -1.25 -4.87 121.76 114.29 3g1q s ALA 365 Ca 0.07 0.89 -0.30 0.00 0.00 0.00 0.00 51.96 52.62 3g1q s ALA 365 Cb 0.16 0.31 -0.11 0.00 0.00 0.00 0.00 23.12 23.48 3g1q s ALA 365 CO 0.78 -0.50 1.61 -0.51 0.00 0.00 0.00 175.76 177.14 3g1q s ASP 366 N -1.77 6.37 0.07 0.00 1.11 -1.26 -4.35 116.67 116.84 3g1q s ASP 366 Ca -0.07 2.94 0.04 0.00 0.18 0.00 0.00 52.55 55.64 3g1q s ASP 366 Cb -0.01 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 41.33 3g1q s ASP 366 CO 0.01 -0.92 -0.11 0.68 1.18 0.00 0.00 175.17 176.00 3g1q s VAL 367 N 0.17 0.91 0.02 -1.27 -7.23 -0.71 -4.95 120.40 107.34 3g1q s VAL 367 Ca 0.65 -1.32 -0.26 0.00 -1.81 0.00 0.00 61.98 59.24 3g1q s VAL 367 Cb -0.48 -1.01 -0.05 0.00 0.56 0.00 0.00 36.38 35.41 3g1q s VAL 367 CO 0.46 -0.35 0.81 -0.75 -0.31 0.00 0.00 175.10 174.96 3g1q s LYS 368 N -1.94 4.52 -0.06 4.82 2.20 -1.26 -0.06 119.74 127.95 3g1q s LYS 368 Ca -0.03 1.14 -0.02 0.00 -0.36 0.00 0.00 55.97 56.70 3g1q s LYS 368 Cb -0.08 -3.40 0.03 0.00 -1.51 0.00 0.00 37.83 32.87 3g1q s LYS 368 CO 0.01 0.17 0.06 0.08 -0.36 0.00 0.00 175.35 175.31 3g1q s VAL 369 N 0.31 -0.06 0.00 4.02 1.01 -0.24 -4.94 120.40 120.50 3g1q s VAL 369 Ca 0.42 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.71 3g1q s VAL 369 Cb -0.20 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 35.92 3g1q s VAL 369 CO 0.24 0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.07 3g1q n GLY 370 N 5.28 3.23 0.05 4.51 0.00 -1.26 -1.02 105.19 115.98 3g1q n GLY 370 Ca -0.04 -0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.00 3g1q n GLY 370 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g1q n SER 371 N 3.33 0.16 -4.86 1.61 3.41 -1.26 -4.92 113.62 111.10 3g1q n SER 371 Ca 0.00 -0.65 -0.21 0.00 -0.26 0.00 0.00 58.87 57.75 3g1q n SER 371 Cb 0.00 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 63.80 3g1q n SER 371 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3g1q s TYR 372 N -2.28 2.90 -0.17 7.33 1.51 -0.19 0.01 117.35 126.45 3g1q s TYR 372 Ca 0.37 -0.31 -0.04 0.00 -1.01 0.00 0.00 57.07 56.08 3g1q s TYR 372 Cb 0.21 -1.82 -0.03 0.00 -0.11 0.00 0.00 41.96 40.21 3g1q s TYR 372 CO 0.42 0.16 -0.02 0.08 -1.11 0.00 0.00 175.55 175.08 3g1q s VAL 373 N -2.31 3.91 -0.29 0.71 1.01 -0.22 -1.08 120.40 122.12 3g1q s VAL 373 Ca 0.41 -0.34 -0.16 0.00 0.00 0.00 0.00 61.98 61.89 3g1q s VAL 373 Cb -0.06 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 3g1q s VAL 373 CO 0.27 0.47 0.41 -0.69 0.00 0.00 0.00 175.10 175.56 3g1q s VAL 374 N 0.58 5.13 0.43 2.92 1.01 0.91 -4.17 120.40 127.21 3g1q s VAL 374 Ca -0.02 0.48 -0.23 0.00 0.00 0.00 0.00 61.98 62.22 3g1q s VAL 374 Cb -0.14 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.37 3g1q s VAL 374 CO 0.02 0.04 1.06 -2.16 0.00 0.00 0.00 175.10 174.07 3g1q s PRO 375 N 2.15 4.01 0.04 2.72 0.04 -1.26 -1.74 135.00 140.97 3g1q s PRO 375 Ca 0.16 1.50 -0.38 0.00 0.04 0.00 0.00 61.00 62.32 3g1q s PRO 375 Cb -0.16 -2.40 -0.18 0.00 0.04 0.00 0.00 34.50 31.80 3g1q s PRO 375 CO 0.11 -0.27 1.22 1.17 0.04 0.00 0.00 177.00 179.26 3g1q n LYS 376 N -0.36 0.61 0.00 4.56 4.81 -1.26 -2.10 118.16 124.40 3g1q n LYS 376 Ca 0.06 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 3g1q n LYS 376 Cb 0.50 -1.79 0.00 0.00 0.02 0.00 0.00 35.03 33.76 3g1q n LYS 376 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3g1q n GLY 377 N 2.05 3.08 3.76 3.14 0.00 -0.13 -4.99 105.19 112.11 3g1q n GLY 377 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 3g1q n GLY 377 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g1q s ASP 378 N -1.19 5.38 -0.07 1.61 1.11 -0.89 -4.78 116.67 117.83 3g1q s ASP 378 Ca 0.00 2.27 -0.22 0.00 0.18 0.00 0.00 52.55 54.79 3g1q s ASP 378 Cb 0.00 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 3g1q s ASP 378 CO 0.00 -1.46 0.63 -0.63 1.18 0.00 0.00 175.17 174.89 3g1q s ILE 379 N -1.73 5.07 -0.05 0.77 1.01 -0.96 -0.29 121.20 125.02 3g1q s ILE 379 Ca 0.75 1.30 -0.02 0.00 0.00 0.00 0.00 60.65 62.68 3g1q s ILE 379 Cb -0.27 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 3g1q s ILE 379 CO 0.31 0.29 0.05 -0.51 0.00 0.00 0.00 174.94 175.08 3g1q s ILE 380 N 0.67 4.62 0.08 2.92 2.07 -0.15 -0.49 121.20 130.91 3g1q s ILE 380 Ca 0.34 -0.28 0.04 0.00 -1.41 0.00 0.00 60.65 59.34 3g1q s ILE 380 Cb -0.17 -3.03 -0.03 0.00 0.13 0.00 0.00 42.46 39.36 3g1q s ILE 380 CO 0.16 0.49 -0.12 0.00 -1.91 0.00 0.00 174.94 173.56 3g1q s ALA 381 N -1.04 1.10 -0.04 1.50 0.00 0.23 -0.99 121.76 122.51 3g1q s ALA 381 Ca 0.18 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.09 3g1q s ALA 381 Cb -0.12 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 22.99 3g1q s ALA 381 CO 0.08 0.07 -0.01 0.00 0.00 0.00 0.00 175.76 175.90 3g1q s SER 383 N 1.20 5.16 0.32 0.00 0.15 -1.26 -0.53 113.70 118.73 3g1q s SER 383 Ca -0.07 -0.78 0.01 0.00 0.70 0.00 0.00 55.95 55.81 3g1q s SER 383 Cb -0.14 -1.88 0.54 0.00 -1.71 0.00 0.00 66.02 62.83 3g1q s SER 383 CO -0.02 -0.22 1.92 -0.65 1.20 0.00 0.00 173.24 175.48 3g1q h PRO 384 N 8.23 0.79 -0.35 5.44 0.11 -1.73 0.30 132.00 144.78 3g1q h PRO 384 Ca -0.30 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 3g1q h PRO 384 Cb 1.12 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 3g1q h PRO 384 CO 0.60 0.63 0.20 1.25 -0.21 0.00 0.00 178.00 180.48 3g1q h LEU 385 N 0.79 0.43 0.03 2.35 5.85 -1.77 0.37 115.31 123.36 3g1q h LEU 385 Ca 0.19 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3g1q h LEU 385 Cb 0.12 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3g1q h LEU 385 CO -0.02 0.38 -0.01 0.25 -0.34 0.00 0.00 178.44 178.70 3g1q h LEU 386 N 0.45 -0.03 -1.16 2.25 5.85 -1.66 -3.16 115.31 117.85 3g1q h LEU 386 Ca 0.13 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 3g1q h LEU 386 Cb 0.04 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3g1q h LEU 386 CO -0.02 0.21 -0.38 0.28 -0.34 0.00 0.00 178.44 178.19 3g1q h SER 387 N -0.27 0.07 0.87 1.25 0.02 -0.87 -2.41 113.55 112.21 3g1q h SER 387 Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3g1q h SER 387 Cb 0.25 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3g1q h SER 387 CO 0.01 0.45 0.00 1.41 -1.14 0.00 0.00 176.83 177.55 3g1q n HIS 388 N -4.07 0.37 -0.31 3.45 8.25 0.11 -2.74 115.22 120.28 3g1q n HIS 388 Ca -0.02 0.13 0.05 0.00 -0.26 0.00 0.00 57.72 57.62 3g1q n HIS 388 Cb 0.43 -0.70 0.14 0.00 1.12 0.00 0.00 29.99 30.97 3g1q n HIS 388 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3g1q n HIS 389 N -1.82 0.43 -1.92 4.41 8.25 -0.92 -4.78 115.22 118.87 3g1q n HIS 389 Ca 0.04 -0.58 -0.43 0.00 -0.26 0.00 0.00 57.72 56.50 3g1q n HIS 389 Cb 0.28 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.28 3g1q n HIS 389 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3g1q s ASP 390 N -1.22 6.31 0.45 0.41 -1.08 -1.11 -4.89 116.67 115.55 3g1q s ASP 390 Ca 0.22 2.01 0.21 0.00 -0.52 0.00 0.00 52.55 54.47 3g1q s ASP 390 Cb 0.14 -2.53 1.10 0.00 -1.46 0.00 0.00 42.92 40.17 3g1q s ASP 390 CO 0.11 -1.25 1.95 -0.33 0.52 0.00 0.00 175.17 176.17 3g1q h GLU 391 N 11.11 0.00 -0.51 4.34 5.08 -1.91 0.49 114.58 133.18 3g1q h GLU 391 Ca -0.39 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.86 3g1q h GLU 391 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3g1q h GLU 391 CO 0.97 0.22 -0.11 1.49 -1.00 0.00 0.00 179.01 180.59 3g1q h GLU 392 N 0.00 0.97 0.14 2.33 4.81 -1.98 -2.58 114.58 118.27 3g1q h GLU 392 Ca -0.00 -0.37 -0.30 0.00 -0.13 0.00 0.00 59.36 58.56 3g1q h GLU 392 Cb 0.49 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3g1q h GLU 392 CO 0.03 1.04 -1.45 0.00 -0.73 0.00 0.00 179.01 177.90 3g1q h ALA 393 N 0.90 0.16 -2.43 2.92 0.00 -1.77 -3.41 119.26 115.64 3g1q h ALA 393 Ca 0.13 -1.02 -0.59 0.00 0.00 0.00 0.00 54.91 53.43 3g1q h ALA 393 Cb 0.67 0.19 -0.39 0.00 0.00 0.00 0.00 17.79 18.27 3g1q h ALA 393 CO 0.05 1.03 -0.93 1.19 0.00 0.00 0.00 179.25 180.59 3g1q n PHE 394 N -3.51 -0.25 -1.68 0.00 3.01 0.17 -1.70 117.46 113.50 3g1q n PHE 394 Ca -0.14 -3.48 -0.41 0.00 1.01 0.00 0.00 57.45 54.43 3g1q n PHE 394 Cb 1.05 0.08 0.01 0.00 -0.01 0.00 0.00 39.48 40.61 3g1q n PHE 394 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3g1q n PRO 395 N 2.56 1.77 -3.72 -1.08 -0.02 -0.98 -2.59 135.00 130.94 3g1q n PRO 395 Ca 0.28 0.63 -0.26 0.00 -2.02 0.00 0.00 63.50 62.13 3g1q n PRO 395 Cb 0.47 -2.30 0.01 0.00 -0.02 0.00 0.00 33.50 31.66 3g1q n PRO 395 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3g1q n GLU 396 N 0.04 -1.24 0.26 -0.52 2.13 -1.26 -4.90 120.64 115.15 3g1q n GLU 396 Ca 0.07 0.70 0.13 0.00 0.66 0.00 0.00 57.16 58.73 3g1q n GLU 396 Cb 0.39 -3.06 0.72 0.00 0.27 0.00 0.00 31.44 29.77 3g1q n GLU 396 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 3g1q h PRO 397 N -0.81 0.00 0.00 5.31 0.13 -1.83 -2.04 132.00 132.77 3g1q h PRO 397 Ca -0.56 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 3g1q h PRO 397 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3g1q h PRO 397 CO 0.40 0.12 0.00 0.54 -0.23 0.00 0.00 178.00 178.83 3g1q n ARG 398 N -3.56 0.24 -2.77 0.86 5.12 -1.26 -4.67 116.66 110.62 3g1q n ARG 398 Ca -0.02 0.03 -0.42 0.00 -1.93 0.00 0.00 57.85 55.51 3g1q n ARG 398 Cb 0.25 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 30.02 3g1q n ARG 398 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3g1q s ARG 399 N -2.74 4.28 -0.36 5.56 3.52 -0.77 -5.01 118.95 123.43 3g1q s ARG 399 Ca 0.21 1.18 -0.29 0.00 -0.13 0.00 0.00 55.73 56.70 3g1q s ARG 399 Cb 0.18 -3.61 0.01 0.00 -1.56 0.00 0.00 34.95 29.97 3g1q s ARG 399 CO 0.45 -0.48 1.33 -0.46 -0.81 0.00 0.00 175.30 175.32 3g1q s TRP 400 N 2.67 2.59 -0.34 5.12 -0.00 -1.26 -4.99 118.94 122.72 3g1q s TRP 400 Ca 0.41 0.79 -0.01 0.00 -0.00 0.00 0.00 56.10 57.29 3g1q s TRP 400 Cb -0.16 -4.10 0.13 0.00 -0.00 0.00 0.00 33.47 29.34 3g1q s TRP 400 CO 0.10 -1.76 0.20 0.34 -0.00 0.00 0.00 176.95 175.83 3g1q s ASP 401 N 3.18 2.99 0.42 5.86 2.15 -1.26 -5.00 116.67 125.01 3g1q s ASP 401 Ca 0.57 -2.01 0.27 0.00 0.43 0.00 0.00 52.55 51.81 3g1q s ASP 401 Cb -0.15 -0.35 1.46 0.00 -0.30 0.00 0.00 42.92 43.59 3g1q s ASP 401 CO 0.27 -0.33 1.82 -0.65 -0.17 0.00 0.00 175.17 176.11 3g1q h PRO 402 N 7.25 0.00 -0.00 4.34 0.11 -1.93 -0.81 132.00 140.96 3g1q h PRO 402 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3g1q h PRO 402 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3g1q h PRO 402 CO 0.29 0.00 -0.24 0.39 -0.21 0.00 0.00 178.00 178.23 3g1q n GLU 403 N -2.46 0.58 -1.43 1.05 1.02 -1.26 -4.75 120.64 113.38 3g1q n GLU 403 Ca -0.02 -0.29 -0.30 0.00 -0.02 0.00 0.00 57.16 56.54 3g1q n GLU 403 Cb 0.08 -1.49 0.10 0.00 -0.02 0.00 0.00 31.44 30.10 3g1q n GLU 403 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3g1q s ARG 404 N -2.62 1.92 0.02 3.49 1.70 -0.31 -5.09 118.95 118.06 3g1q s ARG 404 Ca 0.23 0.75 -0.01 0.00 -0.47 0.00 0.00 55.73 56.23 3g1q s ARG 404 Cb 0.19 -1.89 -0.02 0.00 -0.57 0.00 0.00 34.95 32.66 3g1q s ARG 404 CO 0.54 -1.76 -0.00 -0.51 -1.08 0.00 0.00 175.30 172.48 3g1q s ASP 405 N -3.72 0.20 0.31 -2.89 1.01 -1.26 -5.09 116.67 105.22 3g1q s ASP 405 Ca 0.61 -0.44 -0.26 0.00 0.71 0.00 0.00 52.55 53.18 3g1q s ASP 405 Cb -0.16 0.11 -0.14 0.00 1.01 0.00 0.00 42.92 43.74 3g1q s ASP 405 CO 0.55 -0.30 0.74 -1.84 0.21 0.00 0.00 175.17 174.54 3g1q n GLU 406 N 1.64 0.78 -0.00 8.23 0.28 -1.26 -4.90 120.64 125.40 3g1q n GLU 406 Ca -0.23 0.28 0.08 0.00 -0.16 0.00 0.00 57.16 57.12 3g1q n GLU 406 Cb 0.55 -1.54 0.07 0.00 1.43 0.00 0.00 31.44 31.95 3g1q n GLU 406 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3g1q n LYS 407 N 0.74 1.17 -4.75 3.44 5.02 -0.69 -4.88 118.16 118.21 3g1q n LYS 407 Ca 0.12 -1.43 -0.24 0.00 -2.02 0.00 0.00 58.31 54.74 3g1q n LYS 407 Cb 0.33 -1.30 -0.16 0.00 -0.02 0.00 0.00 35.03 33.88 3g1q n LYS 407 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3g1q s VAL 408 N -1.29 1.28 0.15 -0.18 1.01 -1.26 -4.84 120.40 115.27 3g1q s VAL 408 Ca 0.18 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 3g1q s VAL 408 Cb 0.13 -1.09 -0.07 0.00 0.00 0.00 0.00 36.38 35.35 3g1q s VAL 408 CO 0.19 0.37 1.18 -0.70 0.00 0.00 0.00 175.10 176.14 3g1q s GLU 409 N -0.14 4.49 0.00 2.72 2.12 -1.26 -2.45 118.70 124.18 3g1q s GLU 409 Ca 0.01 1.81 0.00 0.00 0.36 0.00 0.00 54.97 57.15 3g1q s GLU 409 Cb -0.09 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 31.02 3g1q s GLU 409 CO 0.01 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 3g1q n GLY 410 N 2.48 0.56 0.16 -1.50 0.00 -1.26 -4.83 105.19 100.80 3g1q n GLY 410 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 3g1q n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1q h ALA 411 N 0.00 0.85 -2.21 4.61 0.00 -1.77 -3.41 119.26 117.33 3g1q h ALA 411 Ca 0.00 -0.55 -0.56 0.00 0.00 0.00 0.00 54.91 53.80 3g1q h ALA 411 Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3g1q h ALA 411 CO 0.00 0.74 1.00 0.12 0.00 0.00 0.00 179.25 181.11 3g1q s PHE 412 N -3.73 2.38 -0.05 0.00 5.36 -1.26 -4.56 117.98 116.12 3g1q s PHE 412 Ca -0.04 0.56 0.23 0.00 -0.96 0.00 0.00 56.93 56.73 3g1q s PHE 412 Cb 0.12 -3.73 0.43 0.00 -0.34 0.00 0.00 43.02 39.50 3g1q s PHE 412 CO 0.79 -2.87 1.18 0.44 -1.46 0.00 0.00 175.22 173.30 3g1q n ILE 413 N 5.42 0.43 -0.15 3.12 -5.35 -1.26 -4.88 119.36 116.70 3g1q n ILE 413 Ca 0.16 -1.46 0.12 0.00 -0.27 0.00 0.00 62.75 61.29 3g1q n ILE 413 Cb 0.44 0.78 0.46 0.00 -1.74 0.00 0.00 39.64 39.58 3g1q n ILE 413 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3g1q h GLY 414 N 1.05 0.76 -2.33 3.28 0.00 -1.90 -1.47 103.07 102.46 3g1q h GLY 414 Ca -0.18 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3g1q h GLY 414 CO 0.09 0.11 0.00 0.69 0.00 0.00 0.00 176.54 177.43 3g1q n PHE 415 N -4.48 1.33 -4.81 5.60 3.01 -1.26 -4.87 117.46 111.97 3g1q n PHE 415 Ca 0.12 -0.79 0.00 0.00 1.01 0.00 0.00 57.45 57.80 3g1q n PHE 415 Cb 0.40 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.51 3g1q n PHE 415 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3g1q n GLY 416 N 0.05 0.46 3.61 1.37 0.00 -0.55 -0.86 105.19 109.26 3g1q n GLY 416 Ca 0.23 -0.92 -0.05 0.00 0.00 0.00 0.00 46.02 45.28 3g1q n GLY 416 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1q s ALA 417 N -1.81 -1.91 0.00 4.61 0.00 -1.26 -4.71 121.76 116.68 3g1q s ALA 417 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.84 3g1q s ALA 417 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.46 3g1q s ALA 417 CO 0.00 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.35 3g1q n GLY 418 N -0.31 1.41 0.29 0.00 0.00 -1.26 -3.16 105.19 102.16 3g1q n GLY 418 Ca -0.06 -0.71 -0.03 0.00 0.00 0.00 0.00 46.02 45.23 3g1q n GLY 418 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3g1q h VAL 419 N 0.00 1.22 -0.73 1.61 2.07 -1.74 -1.60 116.25 117.10 3g1q h VAL 419 Ca 0.00 -0.85 -0.53 0.00 0.82 0.00 0.00 66.70 66.15 3g1q h VAL 419 Cb 0.00 0.76 -0.39 0.00 -1.52 0.00 0.00 31.29 30.13 3g1q h VAL 419 CO 0.00 0.31 -0.66 1.41 0.02 0.00 0.00 177.57 178.65 3g1q n HIS 420 N -4.26 2.62 -1.63 1.57 -0.00 -1.24 -5.05 115.22 107.23 3g1q n HIS 420 Ca 0.03 -2.24 -0.34 0.00 -0.00 0.00 0.00 57.72 55.17 3g1q n HIS 420 Cb 0.24 -0.42 0.07 0.00 -0.00 0.00 0.00 29.99 29.88 3g1q n HIS 420 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 3g1q s LYS 421 N -3.59 2.46 0.15 -0.41 -2.85 -0.60 -4.61 119.74 110.28 3g1q s LYS 421 Ca 0.51 1.69 -0.32 0.00 -1.00 0.00 0.00 55.97 56.85 3g1q s LYS 421 Cb 0.42 -1.88 -0.12 0.00 -2.06 0.00 0.00 37.83 34.19 3g1q s LYS 421 CO 0.03 -1.57 1.74 0.00 0.10 0.00 0.00 175.35 175.64 3g1q n ILE 423 N 4.15 0.00 -0.61 0.00 -5.35 -1.26 -4.12 119.36 112.17 3g1q n ILE 423 Ca 0.17 -0.11 0.09 0.00 -0.27 0.00 0.00 62.75 62.63 3g1q n ILE 423 Cb 0.34 0.79 0.30 0.00 -1.74 0.00 0.00 39.64 39.33 3g1q n ILE 423 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3g1q n GLY 424 N 1.44 3.01 0.24 3.28 0.00 -1.26 -4.74 105.19 107.15 3g1q n GLY 424 Ca 0.08 -0.80 -0.03 0.00 0.00 0.00 0.00 46.02 45.27 3g1q n GLY 424 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3g1q h GLN 425 N 3.25 0.45 0.02 1.61 4.15 -1.94 0.52 115.11 123.17 3g1q h GLN 425 Ca 0.00 -0.17 -0.22 0.00 0.77 0.00 0.00 58.65 59.03 3g1q h GLN 425 Cb 1.32 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.97 3g1q h GLN 425 CO 0.19 0.67 -0.95 0.87 -1.93 0.00 0.00 178.83 177.68 3g1q h LYS 426 N 0.40 0.29 -0.21 1.69 1.57 -1.89 -0.68 116.57 117.73 3g1q h LYS 426 Ca 0.06 -0.33 -0.10 0.00 -1.87 0.00 0.00 60.65 58.41 3g1q h LYS 426 Cb 0.65 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 3g1q h LYS 426 CO 0.05 1.05 -0.27 0.35 -0.57 0.00 0.00 179.45 180.05 3g1q h PHE 427 N 0.15 0.68 0.13 -1.35 3.57 -1.64 -0.94 116.94 117.54 3g1q h PHE 427 Ca -0.07 -0.22 0.01 0.00 3.53 0.00 0.00 57.97 61.22 3g1q h PHE 427 Cb 1.60 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 40.18 3g1q h PHE 427 CO 0.05 0.93 -0.15 0.78 -2.23 0.00 0.00 178.31 177.69 3g1q h GLY 428 N 0.24 -0.29 0.85 2.40 0.00 -0.89 -1.85 103.07 103.53 3g1q h GLY 428 Ca 0.03 0.17 0.10 0.00 0.00 0.00 0.00 47.33 47.62 3g1q h GLY 428 CO 0.06 -0.15 0.50 1.41 0.00 0.00 0.00 176.54 178.37 3g1q h LEU 429 N -0.31 0.61 -0.68 3.11 3.38 -1.10 -1.05 115.31 119.28 3g1q h LEU 429 Ca 0.01 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3g1q h LEU 429 Cb 0.31 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3g1q h LEU 429 CO -0.05 0.36 0.24 0.25 0.09 0.00 0.00 178.44 179.32 3g1q h LEU 430 N 0.68 0.97 -0.17 1.67 5.85 -0.78 -0.50 115.31 123.03 3g1q h LEU 430 Ca 0.36 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 3g1q h LEU 430 Cb 0.48 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 3g1q h LEU 430 CO -0.13 0.90 -0.10 1.56 -0.34 0.00 0.00 178.44 180.33 3g1q h GLN 431 N 0.98 0.37 -0.17 1.25 4.20 -0.98 -1.87 115.11 118.89 3g1q h GLN 431 Ca 0.22 -0.17 0.02 0.00 0.06 0.00 0.00 58.65 58.78 3g1q h GLN 431 Cb 0.26 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3g1q h GLN 431 CO -0.01 0.69 0.05 0.28 -0.67 0.00 0.00 178.83 179.17 3g1q h VAL 432 N 0.04 0.95 -0.60 -0.54 2.07 -0.99 -1.45 116.25 115.73 3g1q h VAL 432 Ca 0.04 -0.04 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 3g1q h VAL 432 Cb 0.60 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3g1q h VAL 432 CO 0.03 0.02 0.03 0.11 0.02 0.00 0.00 177.57 177.78 3g1q h LYS 433 N 0.13 1.03 -0.46 1.57 1.57 -1.15 0.18 116.57 119.44 3g1q h LYS 433 Ca 0.07 -0.32 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 3g1q h LYS 433 Cb 0.05 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3g1q h LYS 433 CO -0.09 1.00 0.09 1.15 -0.57 0.00 0.00 179.45 181.04 3g1q h THR 434 N 0.93 1.24 -0.56 -0.16 2.02 -1.22 -0.69 112.91 114.47 3g1q h THR 434 Ca 0.17 -0.86 0.03 0.00 0.77 0.00 0.00 66.41 66.52 3g1q h THR 434 Cb 0.52 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 3g1q h THR 434 CO 0.03 0.31 0.34 0.40 0.37 0.00 0.00 175.52 176.96 3g1q h ILE 435 N 0.62 1.05 -0.13 3.11 2.04 -1.10 -0.40 117.51 122.71 3g1q h ILE 435 Ca 0.14 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 3g1q h ILE 435 Cb 0.35 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3g1q h ILE 435 CO 0.01 0.12 0.08 -0.07 0.00 0.00 0.00 178.15 178.28 3g1q h LEU 436 N 0.66 0.16 -0.35 1.44 3.38 -0.48 0.33 115.31 120.45 3g1q h LEU 436 Ca 0.23 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.15 3g1q h LEU 436 Cb 0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3g1q h LEU 436 CO -0.10 0.17 0.23 0.00 0.09 0.00 0.00 178.44 178.83 3g1q h ALA 437 N 0.99 0.45 -0.35 1.53 0.00 -0.93 -0.69 119.26 120.25 3g1q h ALA 437 Ca 0.05 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3g1q h ALA 437 Cb 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3g1q h ALA 437 CO -0.01 -0.10 -0.21 1.15 0.00 0.00 0.00 179.25 180.08 3g1q h THR 438 N 0.47 1.29 0.44 0.00 2.02 -0.88 -2.16 112.91 114.09 3g1q h THR 438 Ca 0.13 -1.35 -0.02 0.00 0.77 0.00 0.00 66.41 65.94 3g1q h THR 438 Cb -0.05 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 3g1q h THR 438 CO -0.03 0.44 -0.21 0.00 0.37 0.00 0.00 175.52 176.09 3g1q h ALA 439 N 0.78 -0.95 0.00 6.16 0.00 -0.18 -3.18 119.26 121.88 3g1q h ALA 439 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3g1q h ALA 439 Cb 0.77 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3g1q h ALA 439 CO 0.06 -0.91 0.00 1.19 0.00 0.00 0.00 179.25 179.59 3g1q n PHE 440 N -3.92 0.00 0.48 0.00 3.01 -0.28 -1.60 117.46 115.15 3g1q n PHE 440 Ca -0.07 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.20 3g1q n PHE 440 Cb 0.23 -0.44 -0.09 0.00 -0.01 0.00 0.00 39.48 39.18 3g1q n PHE 440 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3g1q h ARG 441 N 0.00 -1.17 -0.21 -1.08 2.47 -1.37 -3.39 114.38 109.63 3g1q h ARG 441 Ca 0.00 0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 3g1q h ARG 441 Cb 0.13 0.27 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 3g1q h ARG 441 CO 0.00 -0.78 0.00 -1.13 0.56 0.00 0.00 179.97 178.62 3g1q n SER 442 N -5.49 2.50 -3.98 7.04 3.41 -1.07 -4.90 113.62 111.12 3g1q n SER 442 Ca -0.15 -1.89 -0.08 0.00 -0.26 0.00 0.00 58.87 56.48 3g1q n SER 442 Cb 0.48 -0.14 -0.09 0.00 -0.26 0.00 0.00 64.21 64.20 3g1q n SER 442 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3g1q s TYR 443 N -0.95 0.31 0.27 7.33 1.51 -0.63 -0.48 117.35 124.72 3g1q s TYR 443 Ca 0.15 -0.72 0.09 0.00 -1.01 0.00 0.00 57.07 55.59 3g1q s TYR 443 Cb 0.08 -0.22 -0.05 0.00 -0.11 0.00 0.00 41.96 41.66 3g1q s TYR 443 CO 0.11 -0.38 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.52 3g1q s ASP 444 N -2.45 3.13 -0.01 2.29 1.11 0.07 -4.27 116.67 116.54 3g1q s ASP 444 Ca -0.00 -1.09 -0.08 0.00 0.18 0.00 0.00 52.55 51.56 3g1q s ASP 444 Cb 0.02 -0.23 0.01 0.00 1.07 0.00 0.00 42.92 43.79 3g1q s ASP 444 CO -0.07 -0.15 0.16 -0.36 1.18 0.00 0.00 175.17 175.93 3g1q s PHE 445 N -2.77 -0.02 -0.04 4.23 0.40 -1.26 -0.23 117.98 118.29 3g1q s PHE 445 Ca 0.28 -0.00 0.02 0.00 -0.60 0.00 0.00 56.93 56.63 3g1q s PHE 445 Cb -0.01 -0.02 0.01 0.00 0.51 0.00 0.00 43.02 43.52 3g1q s PHE 445 CO 0.12 -0.27 -0.10 -0.65 0.70 0.00 0.00 175.22 175.03 3g1q s GLN 446 N -1.16 1.22 0.28 0.44 -0.21 -0.27 -4.81 119.66 115.15 3g1q s GLN 446 Ca -0.12 -0.32 -0.30 0.00 0.02 0.00 0.00 55.36 54.64 3g1q s GLN 446 Cb -0.06 -1.09 -0.10 0.00 1.00 0.00 0.00 33.01 32.75 3g1q s GLN 446 CO 0.02 0.06 1.41 -0.51 -2.12 0.00 0.00 175.29 174.15 3g1q s LEU 447 N 0.46 4.39 0.00 2.90 1.43 -1.26 -1.59 118.68 125.01 3g1q s LEU 447 Ca -0.08 2.69 0.25 0.00 -1.03 0.00 0.00 54.13 55.96 3g1q s LEU 447 Cb -0.12 -3.63 1.33 0.00 0.03 0.00 0.00 46.19 43.80 3g1q s LEU 447 CO 0.02 -0.67 1.88 0.18 0.23 0.00 0.00 176.35 177.98 3g1q n LEU 448 N 1.87 0.46 -4.46 1.79 4.77 -1.25 -4.87 117.00 115.31 3g1q n LEU 448 Ca 0.05 -0.17 -0.22 0.00 -0.03 0.00 0.00 56.01 55.64 3g1q n LEU 448 Cb 0.41 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.37 3g1q n LEU 448 CO 0.60 0.09 -0.30 -0.13 -1.33 0.00 0.00 177.39 176.32 3g1q s ARG 449 N -1.97 1.64 0.17 3.23 0.52 -1.26 -5.05 118.95 116.24 3g1q s ARG 449 Ca 0.37 -1.89 -0.04 0.00 -0.52 0.00 0.00 55.73 53.65 3g1q s ARG 449 Cb 0.18 -1.01 0.05 0.00 0.52 0.00 0.00 34.95 34.69 3g1q s ARG 449 CO 0.29 -0.11 1.45 -0.44 0.02 0.00 0.00 175.30 176.51 3g1q h ASP 450 N 2.14 0.61 -2.89 0.23 5.19 -2.02 -3.46 116.42 116.21 3g1q h ASP 450 Ca -0.41 -0.37 -0.62 0.00 -0.62 0.00 0.00 57.03 55.02 3g1q h ASP 450 Cb 1.24 -0.18 -0.14 0.00 0.18 0.00 0.00 39.33 40.43 3g1q h ASP 450 CO 0.70 1.10 -0.72 -1.61 -3.12 0.00 0.00 179.24 175.59 3g1q s GLU 451 N -3.80 2.02 0.37 3.56 0.41 -1.26 -5.02 118.70 114.98 3g1q s GLU 451 Ca -0.07 -1.33 -0.25 0.00 -0.41 0.00 0.00 54.97 52.91 3g1q s GLU 451 Cb 0.11 -2.11 -0.12 0.00 -1.78 0.00 0.00 34.13 30.22 3g1q s GLU 451 CO 0.85 0.42 0.90 0.28 -0.49 0.00 0.00 175.26 177.22 3g1q n VAL 452 N -0.07 2.14 -1.51 2.63 0.31 -1.26 -4.92 118.33 115.65 3g1q n VAL 452 Ca -0.10 -0.50 -0.37 0.00 -0.01 0.00 0.00 64.34 63.36 3g1q n VAL 452 Cb 0.56 -0.94 0.05 0.00 -0.91 0.00 0.00 33.84 32.60 3g1q n VAL 452 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3g1q n PRO 453 N 0.46 0.65 -2.43 5.55 -0.02 -1.26 -5.00 135.00 132.95 3g1q n PRO 453 Ca 0.10 0.26 -0.33 0.00 -2.02 0.00 0.00 63.50 61.51 3g1q n PRO 453 Cb 0.36 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 3g1q n PRO 453 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3g1q s ASP 454 N -1.31 6.32 0.41 2.55 1.01 -1.26 -4.86 116.67 119.53 3g1q s ASP 454 Ca 0.73 1.82 -0.24 0.00 0.71 0.00 0.00 52.55 55.56 3g1q s ASP 454 Cb -0.41 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 40.90 3g1q s ASP 454 CO 0.50 -0.80 1.10 -2.16 0.21 0.00 0.00 175.17 174.03 3g1q s PRO 455 N -3.56 4.07 -0.40 8.23 0.04 -1.26 -1.04 135.00 141.08 3g1q s PRO 455 Ca 0.64 1.65 -0.13 0.00 0.04 0.00 0.00 61.00 63.20 3g1q s PRO 455 Cb -0.14 -2.57 0.03 0.00 0.04 0.00 0.00 34.50 31.86 3g1q s PRO 455 CO 0.25 -0.25 0.27 0.34 0.04 0.00 0.00 177.00 177.64 3g1q s ASP 456 N -1.40 5.94 0.00 6.66 2.15 -0.39 -4.71 116.67 124.92 3g1q s ASP 456 Ca 0.58 -1.00 0.13 0.00 0.43 0.00 0.00 52.55 52.69 3g1q s ASP 456 Cb -0.26 -2.10 0.55 0.00 -0.30 0.00 0.00 42.92 40.82 3g1q s ASP 456 CO 0.32 -0.44 1.39 -1.22 -0.17 0.00 0.00 175.17 175.04 3g1q n TYR 457 N 5.09 0.18 1.41 -5.34 0.53 -1.26 -4.01 117.16 113.76 3g1q n TYR 457 Ca -0.11 -0.09 0.14 0.00 -1.02 0.00 0.00 57.90 56.81 3g1q n TYR 457 Cb 0.46 0.00 0.51 0.00 -1.03 0.00 0.00 39.34 39.28 3g1q n TYR 457 CO 0.00 0.00 0.00 0.72 -1.02 0.00 0.00 176.86 176.56 3g1q n HIS 458 N -0.06 0.00 -4.24 -0.72 8.25 -1.26 -4.91 115.22 112.28 3g1q n HIS 458 Ca 0.11 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.34 3g1q n HIS 458 Cb 0.19 -0.09 -0.07 0.00 1.12 0.00 0.00 29.99 31.14 3g1q n HIS 458 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3g1q s THR 459 N -2.30 3.72 0.20 1.59 -4.23 -1.26 -5.05 115.64 108.32 3g1q s THR 459 Ca 0.31 -1.71 -0.09 0.00 -1.18 0.00 0.00 61.69 59.02 3g1q s THR 459 Cb 0.20 -2.98 0.14 0.00 1.34 0.00 0.00 72.50 71.20 3g1q s THR 459 CO 0.44 -0.32 1.77 0.24 -0.54 0.00 0.00 174.62 176.21 3g1q h MET 460 N 1.94 1.10 -5.04 3.99 2.86 -1.94 -3.36 114.93 114.48 3g1q h MET 460 Ca -0.46 -0.19 -0.66 0.00 -2.06 0.00 0.00 59.70 56.33 3g1q h MET 460 Cb 1.24 -0.18 -0.31 0.00 0.06 0.00 0.00 31.60 32.40 3g1q h MET 460 CO 0.60 0.88 -0.79 0.08 1.06 0.00 0.00 176.91 178.75 3g1q s VAL 461 N -5.60 2.76 -0.01 -2.22 1.01 -1.26 -4.88 120.40 110.19 3g1q s VAL 461 Ca -0.13 -0.70 -0.26 0.00 0.00 0.00 0.00 61.98 60.89 3g1q s VAL 461 Cb 0.15 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3g1q s VAL 461 CO 0.82 0.48 0.80 -0.69 0.00 0.00 0.00 175.10 176.51 3g1q s VAL 462 N 1.35 4.89 0.23 2.92 1.01 0.28 -5.04 120.40 126.05 3g1q s VAL 462 Ca 0.05 1.68 0.05 0.00 0.00 0.00 0.00 61.98 63.76 3g1q s VAL 462 Cb -0.14 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 3g1q s VAL 462 CO -0.07 0.26 0.19 0.61 0.00 0.00 0.00 175.10 176.09 3g1q n GLY 463 N 2.82 3.27 3.75 4.51 0.00 -1.26 -4.22 105.19 114.06 3g1q n GLY 463 Ca 0.00 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 3g1q n GLY 463 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3g1q s PRO 464 N -2.95 2.73 -0.15 1.61 0.04 -1.26 -1.26 135.00 133.76 3g1q s PRO 464 Ca 0.27 1.78 -0.29 0.00 0.04 0.00 0.00 61.00 62.80 3g1q s PRO 464 Cb 0.01 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 3g1q s PRO 464 CO 0.19 -1.38 2.15 2.41 0.04 0.00 0.00 177.00 180.40 3g1q n THR 465 N -1.96 0.47 -0.24 1.26 -1.04 -0.20 -4.60 114.28 107.96 3g1q n THR 465 Ca 0.13 -0.36 0.05 0.00 -2.04 0.00 0.00 64.05 61.83 3g1q n THR 465 Cb 0.50 -2.45 0.16 0.00 -1.82 0.00 0.00 70.33 66.72 3g1q n THR 465 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3g1q h ALA 466 N 13.60 0.84 -0.05 2.41 0.00 -1.91 0.27 119.26 134.42 3g1q h ALA 466 Ca -0.43 0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.69 3g1q h ALA 466 Cb 1.24 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 3g1q h ALA 466 CO 0.96 -0.38 0.16 0.66 0.00 0.00 0.00 179.25 180.64 3g1q h SER 467 N 0.18 0.00 -0.22 0.00 4.64 -2.01 -1.95 113.55 114.20 3g1q h SER 467 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3g1q h SER 467 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3g1q h SER 467 CO -0.56 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.40 3g1q n GLN 468 N -3.24 2.22 -0.27 4.77 6.02 0.07 -4.45 117.38 122.50 3g1q n GLN 468 Ca -0.01 -1.82 0.09 0.00 -0.01 0.00 0.00 57.00 55.24 3g1q n GLN 468 Cb 0.23 -1.47 0.25 0.00 1.02 0.00 0.00 30.24 30.27 3g1q n GLN 468 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3g1q s ARG 470 N -1.28 4.42 0.03 0.00 3.52 -1.26 -1.60 118.95 122.78 3g1q s ARG 470 Ca 0.37 2.03 -0.06 0.00 -0.13 0.00 0.00 55.73 57.94 3g1q s ARG 470 Cb 0.19 -3.18 -0.01 0.00 -1.56 0.00 0.00 34.95 30.40 3g1q s ARG 470 CO 0.25 -0.17 0.11 0.08 -0.81 0.00 0.00 175.30 174.76 3g1q s VAL 471 N -0.27 0.12 -0.17 7.11 1.01 0.37 -3.86 120.40 124.71 3g1q s VAL 471 Ca 0.53 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 3g1q s VAL 471 Cb -0.36 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 3g1q s VAL 471 CO 0.41 -0.53 0.07 -0.75 0.00 0.00 0.00 175.10 174.30 3g1q s LYS 472 N -2.27 3.84 -0.01 2.72 2.20 -0.62 -1.06 119.74 124.54 3g1q s LYS 472 Ca -0.08 -0.31 -0.07 0.00 -0.36 0.00 0.00 55.97 55.16 3g1q s LYS 472 Cb -0.03 -3.19 -0.05 0.00 -1.51 0.00 0.00 37.83 33.05 3g1q s LYS 472 CO -0.03 0.38 0.25 1.52 -0.36 0.00 0.00 175.35 177.11 3g1q s TYR 473 N 0.07 3.59 -0.20 4.03 -0.85 -0.60 -1.11 117.35 122.27 3g1q s TYR 473 Ca 0.06 0.57 -0.00 0.00 -0.52 0.00 0.00 57.07 57.18 3g1q s TYR 473 Cb -0.12 -1.98 0.05 0.00 0.38 0.00 0.00 41.96 40.29 3g1q s TYR 473 CO 0.00 0.64 -0.05 0.42 -1.52 0.00 0.00 175.55 175.04 3g1q s ILE 474 N -1.25 1.29 0.42 -3.49 1.01 0.68 -2.28 121.20 117.59 3g1q s ILE 474 Ca 0.25 -0.93 -0.26 0.00 0.00 0.00 0.00 60.65 59.72 3g1q s ILE 474 Cb -0.13 -1.53 -0.10 0.00 0.01 0.00 0.00 42.46 40.71 3g1q s ILE 474 CO 0.14 -0.01 1.32 -1.14 0.00 0.00 0.00 174.94 175.26 3g1q n ARG 475 N 4.78 2.05 0.00 2.79 0.63 -0.75 -0.75 116.66 125.41 3g1q n ARG 475 Ca -0.12 0.73 0.00 0.00 -0.92 0.00 0.00 57.85 57.54 3g1q n ARG 475 Cb 0.46 -2.45 0.00 0.00 0.45 0.00 0.00 32.46 30.92 3g1q n ARG 475 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99