#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i7f s LEU 11 N 0.00 4.99 -0.43 2.61 0.20 -1.26 -5.03 118.68 119.76 3i7f s LEU 11 Ca 0.00 -0.93 -0.28 0.00 0.69 0.00 0.00 54.13 53.61 3i7f s LEU 11 Cb 0.00 -2.44 0.02 0.00 -0.43 0.00 0.00 46.19 43.35 3i7f s LEU 11 CO 0.00 -0.89 1.06 -2.16 -0.29 0.00 0.00 176.35 174.07 3i7f s PRO 12 N 2.61 3.78 0.83 0.98 0.04 -1.26 -4.99 135.00 136.99 3i7f s PRO 12 Ca 0.15 0.60 -0.11 0.00 0.04 0.00 0.00 61.00 61.68 3i7f s PRO 12 Cb -0.19 -3.86 0.09 0.00 0.04 0.00 0.00 34.50 30.57 3i7f s PRO 12 CO 0.12 -1.20 1.10 -1.25 0.04 0.00 0.00 177.00 175.80 3i7f s PRO 13 N 4.04 1.77 0.24 0.56 0.04 -1.26 -4.97 135.00 135.43 3i7f s PRO 13 Ca 0.44 1.14 -0.30 0.00 0.04 0.00 0.00 61.00 62.33 3i7f s PRO 13 Cb -0.09 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 3i7f s PRO 13 CO 0.26 -1.98 1.37 0.08 0.04 0.00 0.00 177.00 176.77 3i7f s VAL 14 N -2.86 2.89 -0.10 -0.36 1.01 -1.26 -5.04 120.40 114.67 3i7f s VAL 14 Ca 0.63 0.76 -0.06 0.00 0.00 0.00 0.00 61.98 63.31 3i7f s VAL 14 Cb -0.18 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3i7f s VAL 14 CO 0.57 0.13 0.11 -0.69 0.00 0.00 0.00 175.10 175.22 3i7f s VAL 15 N -0.15 5.26 -0.21 2.92 1.01 -1.26 -5.09 120.40 122.88 3i7f s VAL 15 Ca 0.57 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.62 3i7f s VAL 15 Cb -0.39 -3.29 0.06 0.00 0.00 0.00 0.00 36.38 32.75 3i7f s VAL 15 CO 0.43 0.59 -0.01 -0.76 0.00 0.00 0.00 175.10 175.35 3i7f s LEU 16 N -1.08 1.81 0.95 3.92 1.43 -1.26 -5.13 118.68 119.32 3i7f s LEU 16 Ca 0.16 -0.95 -0.15 0.00 -1.03 0.00 0.00 54.13 52.15 3i7f s LEU 16 Cb -0.12 -0.87 0.18 0.00 0.03 0.00 0.00 46.19 45.41 3i7f s LEU 16 CO 0.05 -0.26 1.26 -0.76 0.23 0.00 0.00 176.35 176.87 3i7f s LEU 17 N 1.64 2.42 0.38 1.79 1.43 -1.26 -5.04 118.68 120.04 3i7f s LEU 17 Ca -0.03 0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 53.39 3i7f s LEU 17 Cb -0.18 -2.59 -0.08 0.00 0.03 0.00 0.00 46.19 43.38 3i7f s LEU 17 CO -0.07 -2.68 0.79 -1.59 0.23 0.00 0.00 176.35 173.02 3i7f s LYS 18 N -5.74 3.92 0.21 1.70 0.00 -1.25 -4.82 119.74 113.76 3i7f s LYS 18 Ca 0.70 0.65 0.09 0.00 0.00 0.00 0.00 55.97 57.41 3i7f s LYS 18 Cb -0.07 -2.37 -0.04 0.00 0.00 0.00 0.00 37.83 35.35 3i7f s LYS 18 CO 0.52 0.02 -0.05 0.95 0.00 0.00 0.00 175.35 176.80 3i7f s THR 19 N -2.22 3.39 0.62 3.79 -4.23 -1.26 -1.78 115.64 113.95 3i7f s THR 19 Ca 0.54 -1.69 -0.17 0.00 -1.18 0.00 0.00 61.69 59.19 3i7f s THR 19 Cb -0.10 -2.73 -0.02 0.00 1.34 0.00 0.00 72.50 70.99 3i7f s THR 19 CO 0.24 -0.19 1.14 -2.84 -0.54 0.00 0.00 174.62 172.43 3i7f s PRO 20 N -3.12 2.93 -0.86 3.99 0.02 -1.26 -4.97 135.00 131.73 3i7f s PRO 20 Ca 0.27 1.57 -0.14 0.00 0.02 0.00 0.00 61.00 62.72 3i7f s PRO 20 Cb -0.08 -1.95 0.22 0.00 0.02 0.00 0.00 34.50 32.71 3i7f s PRO 20 CO 0.17 -1.18 0.81 -1.21 -0.33 0.00 0.00 177.00 175.27 3i7f s GLU 21 N -3.70 3.66 0.22 5.54 0.41 -1.26 -5.05 118.70 118.53 3i7f s GLU 21 Ca 0.71 -2.51 -0.19 0.00 -0.41 0.00 0.00 54.97 52.56 3i7f s GLU 21 Cb -0.24 -4.46 -0.08 0.00 -1.78 0.00 0.00 34.13 27.57 3i7f s GLU 21 CO 0.36 -1.30 0.72 -0.51 -0.49 0.00 0.00 175.26 174.04 3i7f s LEU 22 N 0.11 4.33 -0.48 1.80 1.43 -1.26 -5.05 118.68 119.57 3i7f s LEU 22 Ca 0.20 1.41 -0.16 0.00 -1.03 0.00 0.00 54.13 54.54 3i7f s LEU 22 Cb -0.10 -3.60 0.08 0.00 0.03 0.00 0.00 46.19 42.60 3i7f s LEU 22 CO -0.09 0.03 0.42 -0.69 0.23 0.00 0.00 176.35 176.25 3i7f s VAL 23 N -1.54 5.21 0.76 -1.59 1.01 -1.26 -5.01 120.40 117.99 3i7f s VAL 23 Ca 0.43 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 3i7f s VAL 23 Cb -0.16 -4.16 0.05 0.00 0.00 0.00 0.00 36.38 32.11 3i7f s VAL 23 CO 0.21 -0.62 1.08 -0.44 0.00 0.00 0.00 175.10 175.33 3i7f s SER 24 N 2.69 4.68 0.00 3.32 0.01 -1.26 -4.94 113.70 118.20 3i7f s SER 24 Ca 0.05 1.71 0.00 0.00 1.31 0.00 0.00 55.95 59.01 3i7f s SER 24 Cb -0.24 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.53 3i7f s SER 24 CO 0.07 -1.90 0.00 0.61 0.41 0.00 0.00 173.24 172.42 3i7f n GLY 25 N -1.49 4.89 0.10 3.44 0.00 0.80 -4.98 105.19 107.95 3i7f n GLY 25 Ca 0.08 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 3i7f n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i7f h GLU 26 N 0.00 -0.13 -0.33 1.61 4.81 -1.99 -3.37 114.58 115.20 3i7f h GLU 26 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3i7f h GLU 26 Cb 0.00 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3i7f h GLU 26 CO 0.00 0.36 0.00 0.09 -0.73 0.00 0.00 179.01 178.73 3i7f n ASN 27 N -4.83 2.99 -3.37 1.04 3.02 -1.26 -4.74 115.26 108.10 3i7f n ASN 27 Ca -0.07 -1.93 -0.15 0.00 -0.03 0.00 0.00 54.58 52.40 3i7f n ASN 27 Cb 0.27 -0.21 -0.08 0.00 -0.61 0.00 0.00 39.78 39.15 3i7f n ASN 27 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3i7f s PHE 28 N -1.58 -0.56 0.02 3.10 -0.71 -1.23 -0.01 117.98 117.01 3i7f s PHE 28 Ca 0.37 -0.21 -0.00 0.00 -1.04 0.00 0.00 56.93 56.04 3i7f s PHE 28 Cb 0.21 -0.37 -0.02 0.00 -1.21 0.00 0.00 43.02 41.63 3i7f s PHE 28 CO 0.30 -0.95 -0.02 0.15 -1.34 0.00 0.00 175.22 173.36 3i7f s LYS 29 N 2.18 0.35 -0.24 1.99 1.02 -1.10 -0.14 119.74 123.80 3i7f s LYS 29 Ca 0.11 -0.66 -0.21 0.00 0.02 0.00 0.00 55.97 55.23 3i7f s LYS 29 Cb -0.14 0.12 -0.02 0.00 -0.52 0.00 0.00 37.83 37.28 3i7f s LYS 29 CO -0.25 -0.06 0.65 0.08 -0.92 0.00 0.00 175.35 174.85 3i7f s VAL 30 N -1.71 4.98 0.69 3.17 1.01 -1.26 -0.86 120.40 126.42 3i7f s VAL 30 Ca -0.14 1.20 -0.14 0.00 0.00 0.00 0.00 61.98 62.90 3i7f s VAL 30 Cb -0.08 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.36 3i7f s VAL 30 CO -0.02 0.04 1.12 -0.04 0.00 0.00 0.00 175.10 176.21 3i7f s MET 31 N 2.36 2.59 0.75 2.72 -1.94 -0.16 -4.91 119.30 120.71 3i7f s MET 31 Ca 0.28 1.43 -0.11 0.00 -1.71 0.00 0.00 55.69 55.59 3i7f s MET 31 Cb -0.16 -1.92 0.04 0.00 2.01 0.00 0.00 34.83 34.81 3i7f s MET 31 CO 0.09 -1.42 1.08 -1.25 -0.01 0.00 0.00 175.02 173.51 3i7f s PRO 32 N -4.16 2.42 0.16 2.03 0.04 -1.26 -4.91 135.00 129.32 3i7f s PRO 32 Ca 0.68 1.13 -0.34 0.00 0.04 0.00 0.00 61.00 62.50 3i7f s PRO 32 Cb -0.22 -1.92 -0.15 0.00 0.04 0.00 0.00 34.50 32.26 3i7f s PRO 32 CO 0.44 -1.51 1.43 -0.12 0.04 0.00 0.00 177.00 177.28 3i7f n MET 33 N -3.40 1.75 -1.87 4.56 0.00 -1.26 -4.83 117.12 112.06 3i7f n MET 33 Ca 0.09 0.63 -0.43 0.00 -0.00 0.00 0.00 57.70 57.99 3i7f n MET 33 Cb 0.53 -2.31 -0.03 0.00 0.00 0.00 0.00 33.22 31.42 3i7f n MET 33 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 3i7f s HIS 34 N 0.45 1.62 -0.19 1.12 2.46 -1.26 -4.84 115.29 114.64 3i7f s HIS 34 Ca 0.77 0.48 0.13 0.00 0.47 0.00 0.00 55.06 56.91 3i7f s HIS 34 Cb -0.76 -4.05 0.43 0.00 -0.13 0.00 0.00 32.58 28.07 3i7f s HIS 34 CO 0.44 -3.54 1.21 1.04 -2.47 0.00 0.00 174.74 171.42 3i7f n GLN 35 N 8.30 1.65 -3.42 2.88 6.02 -1.26 -5.00 117.38 126.55 3i7f n GLN 35 Ca 0.24 -3.26 -0.18 0.00 -0.01 0.00 0.00 57.00 53.79 3i7f n GLN 35 Cb 0.45 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.25 3i7f n GLN 35 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3i7f n SER 36 N -0.85 -6.28 -4.32 1.08 7.64 -1.26 -5.00 113.62 104.63 3i7f n SER 36 Ca 0.20 -0.68 -0.18 0.00 1.01 0.00 0.00 58.87 59.22 3i7f n SER 36 Cb 0.79 -4.16 -0.10 0.00 -1.01 0.00 0.00 64.21 59.72 3i7f n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i7f s GLN 37 N -4.66 1.25 0.37 1.43 -2.07 -1.26 -5.06 119.66 109.67 3i7f s GLN 37 Ca 0.29 -1.50 0.10 0.00 -1.82 0.00 0.00 55.36 52.43 3i7f s GLN 37 Cb -0.08 -1.06 0.87 0.00 -1.09 0.00 0.00 33.01 31.65 3i7f s GLN 37 CO 0.81 0.18 1.87 -1.35 -1.32 0.00 0.00 175.29 175.48 3i7f h PRO 38 N 2.80 0.62 0.00 9.60 0.11 -1.97 -1.21 132.00 141.95 3i7f h PRO 38 Ca -0.39 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 3i7f h PRO 38 Cb 1.21 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3i7f h PRO 38 CO 0.59 0.41 -0.05 0.00 -0.21 0.00 0.00 178.00 178.73 3i7f n TYR 40 N -3.74 0.00 -2.61 0.00 4.02 -0.46 -4.54 117.16 109.83 3i7f n TYR 40 Ca -0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.44 3i7f n TYR 40 Cb 0.15 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 3i7f n TYR 40 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3i7f n LYS 41 N -0.76 3.66 0.09 -0.72 5.02 0.76 -4.78 118.16 121.43 3i7f n LYS 41 Ca 0.17 -3.77 -0.04 0.00 -2.02 0.00 0.00 58.31 52.65 3i7f n LYS 41 Cb 0.26 -2.89 0.16 0.00 -0.02 0.00 0.00 35.03 32.54 3i7f n LYS 41 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3i7f h THR 42 N 3.93 1.36 -0.05 -0.18 1.35 -1.81 -3.47 112.91 114.03 3i7f h THR 42 Ca 0.34 -1.81 -0.02 0.00 -0.55 0.00 0.00 66.41 64.37 3i7f h THR 42 Cb 0.70 1.88 -0.01 0.00 -1.73 0.00 0.00 68.15 68.99 3i7f h THR 42 CO 1.47 0.53 -0.02 0.61 -0.25 0.00 0.00 175.52 177.86 3i7f n GLY 43 N 0.09 0.40 3.82 5.82 0.00 -1.26 -5.03 105.19 109.03 3i7f n GLY 43 Ca -0.02 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 3i7f n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i7f s LEU 44 N -0.25 2.28 -0.31 0.99 1.43 -1.26 -5.05 118.68 116.51 3i7f s LEU 44 Ca 0.00 1.02 -0.10 0.00 -1.03 0.00 0.00 54.13 54.02 3i7f s LEU 44 Cb 0.00 -3.46 -0.01 0.00 0.03 0.00 0.00 46.19 42.75 3i7f s LEU 44 CO 0.00 -2.24 0.15 -0.75 0.23 0.00 0.00 176.35 173.74 3i7f s LYS 45 N -5.31 3.33 -0.05 1.70 2.20 -1.26 -5.08 119.74 115.28 3i7f s LYS 45 Ca 0.62 -0.72 -0.30 0.00 -0.36 0.00 0.00 55.97 55.21 3i7f s LYS 45 Cb -0.14 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.59 3i7f s LYS 45 CO 0.53 -0.42 1.05 0.71 -0.36 0.00 0.00 175.35 176.85 3i7f s TYR 46 N 1.61 3.50 -0.15 4.03 2.02 -1.26 -4.39 117.35 122.72 3i7f s TYR 46 Ca 0.05 1.54 -0.08 0.00 -0.37 0.00 0.00 57.07 58.21 3i7f s TYR 46 Cb -0.17 -3.22 -0.04 0.00 -0.40 0.00 0.00 41.96 38.12 3i7f s TYR 46 CO 0.06 -0.42 0.12 0.99 -1.57 0.00 0.00 175.55 174.73 3i7f s THR 47 N 1.63 5.33 0.21 -0.71 2.01 -0.88 -5.03 115.64 118.19 3i7f s THR 47 Ca 0.52 0.15 -0.24 0.00 0.31 0.00 0.00 61.69 62.42 3i7f s THR 47 Cb -0.21 -3.35 -0.08 0.00 0.01 0.00 0.00 72.50 68.86 3i7f s THR 47 CO 0.23 0.55 0.79 -1.61 -0.69 0.00 0.00 174.62 173.89 3i7f s GLU 48 N -0.49 4.49 0.18 4.92 8.01 -1.26 -4.56 118.70 130.00 3i7f s GLU 48 Ca 0.12 1.11 -0.13 0.00 0.01 0.00 0.00 54.97 56.08 3i7f s GLU 48 Cb -0.12 -3.09 0.14 0.00 -4.31 0.00 0.00 34.13 26.75 3i7f s GLU 48 CO 0.02 0.48 1.78 0.82 0.01 0.00 0.00 175.26 178.37 3i7f h ILE 49 N 3.05 0.94 -0.45 -1.63 2.04 -1.97 0.11 117.51 119.61 3i7f h ILE 49 Ca -0.47 -0.17 0.13 0.00 1.00 0.00 0.00 64.86 65.35 3i7f h ILE 49 Cb 1.20 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 3i7f h ILE 49 CO 0.66 0.09 0.72 1.05 0.00 0.00 0.00 178.15 180.67 3i7f h GLU 50 N 0.49 0.00 0.00 2.37 4.11 -1.94 0.49 114.58 120.10 3i7f h GLU 50 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.66 3i7f h GLU 50 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3i7f h GLU 50 CO -0.17 0.00 -0.41 0.93 0.07 0.00 0.00 179.01 179.43 3i7f h GLU 51 N 0.00 0.00 -6.30 1.06 5.08 -1.17 -3.44 114.58 109.82 3i7f h GLU 51 Ca 0.22 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 58.00 3i7f h GLU 51 Cb 1.66 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.88 3i7f h GLU 51 CO -0.00 0.00 1.26 -0.51 -1.00 0.00 0.00 179.01 178.75 3i7f s LEU 52 N -5.20 3.52 0.06 1.33 1.43 0.16 -4.88 118.68 115.10 3i7f s LEU 52 Ca 0.06 1.28 -0.21 0.00 -1.03 0.00 0.00 54.13 54.23 3i7f s LEU 52 Cb 0.10 -3.53 0.05 0.00 0.03 0.00 0.00 46.19 42.84 3i7f s LEU 52 CO 0.70 -1.67 0.49 -0.69 0.23 0.00 0.00 176.35 175.40 3i7f s VAL 53 N 6.71 0.04 0.60 -1.59 1.01 -1.26 -4.88 120.40 121.03 3i7f s VAL 53 Ca 0.78 -0.31 0.29 0.00 0.00 0.00 0.00 61.98 62.74 3i7f s VAL 53 Cb -0.22 -0.98 0.36 0.00 0.00 0.00 0.00 36.38 35.54 3i7f s VAL 53 CO 0.34 -0.17 1.94 -0.65 0.00 0.00 0.00 175.10 176.56 3i7f h PRO 54 N 2.79 0.00 -1.39 2.72 0.11 -1.91 -1.10 132.00 133.22 3i7f h PRO 54 Ca -0.31 0.00 0.45 0.00 0.11 0.00 0.00 66.00 66.24 3i7f h PRO 54 Cb 1.22 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.21 3i7f h PRO 54 CO 0.42 0.00 0.92 0.00 -0.21 0.00 0.00 178.00 179.13 3i7f h ALA 55 N 1.50 2.88 -0.92 -0.75 0.00 -1.96 -2.90 119.26 117.12 3i7f h ALA 55 Ca 0.15 0.09 -0.49 0.00 0.00 0.00 0.00 54.91 54.65 3i7f h ALA 55 Cb 0.94 0.19 -0.42 0.00 0.00 0.00 0.00 17.79 18.50 3i7f h ALA 55 CO -0.00 -1.49 -0.88 0.00 0.00 0.00 0.00 179.25 176.88 3i7f n MET 56 N -4.58 3.03 -1.93 0.00 0.00 -0.42 -5.04 117.12 108.18 3i7f n MET 56 Ca 0.37 -4.07 -0.39 0.00 0.00 0.00 0.00 57.70 53.62 3i7f n MET 56 Cb 1.49 -2.07 0.01 0.00 0.00 0.00 0.00 33.22 32.65 3i7f n MET 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3i7f s ALA 57 N -3.58 3.16 0.00 3.17 0.00 -1.10 -3.05 121.76 120.37 3i7f s ALA 57 Ca 0.44 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.72 3i7f s ALA 57 Cb 0.40 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.99 3i7f s ALA 57 CO -0.03 -1.04 0.00 0.39 0.00 0.00 0.00 175.76 175.08 3i7f n GLU 58 N -0.22 0.00 -2.78 0.00 4.71 0.47 -4.97 120.64 117.85 3i7f n GLU 58 Ca 0.05 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.89 3i7f n GLU 58 Cb 0.43 -3.21 -0.04 0.00 -1.01 0.00 0.00 31.44 27.61 3i7f n GLU 58 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3i7f s LYS 59 N -0.36 3.88 -0.03 3.49 -0.14 -1.17 -4.83 119.74 120.58 3i7f s LYS 59 Ca 0.00 0.65 -0.03 0.00 -1.36 0.00 0.00 55.97 55.24 3i7f s LYS 59 Cb 0.00 -2.32 -0.04 0.00 -1.68 0.00 0.00 37.83 33.79 3i7f s LYS 59 CO 0.00 -0.07 0.14 0.95 -0.76 0.00 0.00 175.35 175.61 3i7f s THR 60 N -2.37 5.18 0.08 2.17 -4.23 -1.26 -1.13 115.64 114.09 3i7f s THR 60 Ca 0.54 -0.19 -0.01 0.00 -1.18 0.00 0.00 61.69 60.85 3i7f s THR 60 Cb -0.10 -3.38 -0.04 0.00 1.34 0.00 0.00 72.50 70.32 3i7f s THR 60 CO 0.28 0.38 0.01 0.68 -0.54 0.00 0.00 174.62 175.43 3i7f s VAL 61 N -1.23 0.17 -0.06 2.29 -7.23 0.89 -4.96 120.40 110.27 3i7f s VAL 61 Ca 0.24 -1.85 -0.03 0.00 -1.81 0.00 0.00 61.98 58.53 3i7f s VAL 61 Cb -0.12 -1.74 0.04 0.00 0.56 0.00 0.00 36.38 35.11 3i7f s VAL 61 CO 0.15 -0.77 0.14 0.28 -0.31 0.00 0.00 175.10 174.58 3i7f s THR 62 N -3.97 -0.05 -0.05 5.32 -1.32 -1.25 -0.33 115.64 113.98 3i7f s THR 62 Ca 0.14 0.17 -0.03 0.00 -1.21 0.00 0.00 61.69 60.76 3i7f s THR 62 Cb 0.08 -0.23 0.03 0.00 -1.51 0.00 0.00 72.50 70.87 3i7f s THR 62 CO -0.05 0.07 0.12 0.27 -2.21 0.00 0.00 174.62 172.82 3i7f s ILE 63 N 1.08 -0.04 -0.45 5.08 -4.36 -0.45 -2.06 121.20 120.00 3i7f s ILE 63 Ca -0.08 0.13 -0.21 0.00 -0.26 0.00 0.00 60.65 60.22 3i7f s ILE 63 Cb -0.11 -0.20 0.03 0.00 1.25 0.00 0.00 42.46 43.43 3i7f s ILE 63 CO -0.05 0.05 0.69 -0.60 0.24 0.00 0.00 174.94 175.27 3i7f s ARG 64 N 0.83 3.31 0.27 0.37 3.52 -1.25 -1.67 118.95 124.32 3i7f s ARG 64 Ca -0.06 -0.31 0.03 0.00 -0.13 0.00 0.00 55.73 55.26 3i7f s ARG 64 Cb -0.08 -3.95 -0.04 0.00 -1.56 0.00 0.00 34.95 29.32 3i7f s ARG 64 CO -0.04 -1.05 0.19 0.00 -0.81 0.00 0.00 175.30 173.59 3i7f s ALA 65 N 2.97 1.56 0.08 6.12 0.00 -0.52 -4.94 121.76 127.02 3i7f s ALA 65 Ca 0.25 -1.86 -0.25 0.00 0.00 0.00 0.00 51.96 50.10 3i7f s ALA 65 Cb -0.14 1.39 -0.06 0.00 0.00 0.00 0.00 23.12 24.32 3i7f s ALA 65 CO 0.20 -0.61 0.77 1.03 0.00 0.00 0.00 175.76 177.15 3i7f s ARG 66 N -3.83 4.51 -0.93 0.00 1.81 -0.20 -0.75 118.95 119.55 3i7f s ARG 66 Ca 0.39 1.09 -0.20 0.00 -1.72 0.00 0.00 55.73 55.29 3i7f s ARG 66 Cb 0.05 -3.34 0.11 0.00 -0.45 0.00 0.00 34.95 31.32 3i7f s ARG 66 CO 0.19 0.36 1.20 0.08 -0.68 0.00 0.00 175.30 176.45 3i7f s VAL 67 N -0.35 4.50 0.25 3.52 1.01 -0.05 -1.15 120.40 128.13 3i7f s VAL 67 Ca 0.38 -1.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 3i7f s VAL 67 Cb -0.21 -4.84 0.19 0.00 0.00 0.00 0.00 36.38 31.52 3i7f s VAL 67 CO 0.24 -1.61 1.85 -0.61 0.00 0.00 0.00 175.10 174.97 3i7f h GLN 68 N 9.12 1.13 -2.64 2.72 4.15 -1.21 0.20 115.11 128.58 3i7f h GLN 68 Ca 0.14 -0.16 -0.10 0.00 0.77 0.00 0.00 58.65 59.30 3i7f h GLN 68 Cb 1.02 -0.21 -0.21 0.00 0.21 0.00 0.00 27.48 28.30 3i7f h GLN 68 CO 1.19 0.87 -0.12 0.00 -1.93 0.00 0.00 178.83 178.84 3i7f s ALA 69 N -5.65 -1.15 -0.29 3.38 0.00 -1.12 -4.40 121.76 112.53 3i7f s ALA 69 Ca -0.12 0.84 0.01 0.00 0.00 0.00 0.00 51.96 52.69 3i7f s ALA 69 Cb 0.16 -0.15 0.09 0.00 0.00 0.00 0.00 23.12 23.22 3i7f s ALA 69 CO 0.82 -0.28 0.04 0.08 0.00 0.00 0.00 175.76 176.42 3i7f s VAL 70 N -0.91 1.35 -0.16 0.00 1.01 -1.26 -0.09 120.40 120.35 3i7f s VAL 70 Ca -0.10 -1.50 -0.08 0.00 0.00 0.00 0.00 61.98 60.30 3i7f s VAL 70 Cb -0.03 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3i7f s VAL 70 CO 0.05 -0.46 0.12 -0.60 0.00 0.00 0.00 175.10 174.20 3i7f s ARG 71 N 1.41 3.76 0.03 2.72 3.52 -0.42 -4.99 118.95 124.98 3i7f s ARG 71 Ca 0.05 -0.21 0.01 0.00 -0.13 0.00 0.00 55.73 55.45 3i7f s ARG 71 Cb -0.18 -3.26 -0.02 0.00 -1.56 0.00 0.00 34.95 29.93 3i7f s ARG 71 CO -0.15 0.53 -0.04 0.20 -0.81 0.00 0.00 175.30 175.03 3i7f s GLY 72 N -0.33 0.32 0.00 8.12 0.00 -1.26 0.63 107.32 114.80 3i7f s GLY 72 Ca 0.11 -0.64 0.05 0.00 0.00 0.00 0.00 44.72 44.23 3i7f s GLY 72 CO 0.01 -0.71 1.01 1.17 0.00 0.00 0.00 173.10 174.58 3i7f n LYS 73 N 1.55 0.00 0.00 2.90 0.00 0.79 -5.00 118.16 118.39 3i7f n LYS 73 Ca -0.24 -1.15 0.00 0.00 0.00 0.00 0.00 58.31 56.93 3i7f n LYS 73 Cb 0.55 -0.38 0.00 0.00 0.00 0.00 0.00 35.03 35.20 3i7f n LYS 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i7f n GLY 74 N 0.09 2.31 0.00 3.14 0.00 -1.26 -4.10 105.19 105.37 3i7f n GLY 74 Ca 0.01 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.12 3i7f n GLY 74 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i7f n ASN 75 N 5.42 0.07 -3.88 1.61 0.23 -1.26 -4.80 115.26 112.64 3i7f n ASN 75 Ca 0.00 0.38 -0.18 0.00 -0.53 0.00 0.00 54.58 54.25 3i7f n ASN 75 Cb 0.00 -0.39 -0.16 0.00 -2.08 0.00 0.00 39.78 37.16 3i7f n ASN 75 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 3i7f s MET 76 N -2.99 0.58 -0.15 -3.83 1.00 -1.26 -1.41 119.30 111.25 3i7f s MET 76 Ca 0.14 -0.07 0.01 0.00 0.00 0.00 0.00 55.69 55.77 3i7f s MET 76 Cb 0.19 -0.64 0.02 0.00 0.00 0.00 0.00 34.83 34.40 3i7f s MET 76 CO 0.55 -0.05 -0.17 0.08 0.00 0.00 0.00 175.02 175.43 3i7f s VAL 77 N 0.71 1.76 -0.31 -6.03 1.01 0.34 -0.15 120.40 117.74 3i7f s VAL 77 Ca -0.09 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 3i7f s VAL 77 Cb -0.12 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 3i7f s VAL 77 CO -0.00 0.49 0.38 -0.36 0.00 0.00 0.00 175.10 175.61 3i7f s PHE 78 N 1.25 3.22 -0.27 5.22 0.40 0.21 -1.02 117.98 126.99 3i7f s PHE 78 Ca 0.01 0.21 -0.11 0.00 -0.60 0.00 0.00 56.93 56.44 3i7f s PHE 78 Cb -0.14 -2.65 -0.05 0.00 0.51 0.00 0.00 43.02 40.70 3i7f s PHE 78 CO -0.08 -0.34 0.20 -0.51 0.70 0.00 0.00 175.22 175.19 3i7f s LEU 79 N 2.08 4.04 -0.47 -0.37 1.43 0.04 -1.30 118.68 124.13 3i7f s LEU 79 Ca 0.14 0.05 -0.22 0.00 -1.03 0.00 0.00 54.13 53.07 3i7f s LEU 79 Cb -0.16 -2.15 0.03 0.00 0.03 0.00 0.00 46.19 43.94 3i7f s LEU 79 CO 0.11 -0.04 0.75 0.12 0.23 0.00 0.00 176.35 177.52 3i7f s PHE 80 N 1.65 2.99 -0.04 0.29 5.36 0.87 -0.87 117.98 128.21 3i7f s PHE 80 Ca 0.08 -0.02 -0.12 0.00 -0.96 0.00 0.00 56.93 55.91 3i7f s PHE 80 Cb -0.15 -3.63 -0.05 0.00 -0.34 0.00 0.00 43.02 38.84 3i7f s PHE 80 CO 0.10 -1.02 0.33 -0.51 -1.46 0.00 0.00 175.22 172.65 3i7f s LEU 81 N 3.19 4.44 0.12 6.12 1.43 0.37 -0.67 118.68 133.67 3i7f s LEU 81 Ca 0.26 0.80 0.06 0.00 -1.03 0.00 0.00 54.13 54.22 3i7f s LEU 81 Cb -0.14 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 3i7f s LEU 81 CO 0.20 0.34 -0.14 -0.60 0.23 0.00 0.00 176.35 176.38 3i7f s ARG 82 N -0.99 0.99 -0.30 1.70 3.52 -0.30 -1.24 118.95 122.33 3i7f s ARG 82 Ca 0.21 -1.21 -0.07 0.00 -0.13 0.00 0.00 55.73 54.53 3i7f s ARG 82 Cb -0.15 -0.86 0.19 0.00 -1.56 0.00 0.00 34.95 32.57 3i7f s ARG 82 CO 0.10 0.16 0.86 0.21 -0.81 0.00 0.00 175.30 175.83 3i7f s LYS 83 N -2.63 0.33 7.10 5.12 2.47 -0.34 -1.04 119.74 130.76 3i7f s LYS 83 Ca 0.08 0.50 0.00 0.00 -1.56 0.00 0.00 55.97 54.99 3i7f s LYS 83 Cb -0.05 0.26 0.00 0.00 -1.46 0.00 0.00 37.83 36.59 3i7f s LYS 83 CO 0.03 -0.46 0.00 0.41 0.16 0.00 0.00 175.35 175.49 3i7f n GLY 84 N 5.38 2.85 0.17 5.54 0.00 -1.26 -2.19 105.19 115.68 3i7f n GLY 84 Ca -0.00 -0.28 0.14 0.00 0.00 0.00 0.00 46.02 45.87 3i7f n GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i7f n ILE 85 N 0.00 0.00 -4.03 -0.61 -5.35 -1.26 -4.62 119.36 103.49 3i7f n ILE 85 Ca 0.00 -0.09 -0.31 0.00 -0.27 0.00 0.00 62.75 62.08 3i7f n ILE 85 Cb 0.00 0.04 -0.06 0.00 -1.74 0.00 0.00 39.64 37.88 3i7f n ILE 85 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3i7f s TYR 86 N -2.41 3.26 0.03 4.28 2.02 -0.93 -4.95 117.35 118.64 3i7f s TYR 86 Ca 0.30 0.12 0.00 0.00 -0.37 0.00 0.00 57.07 57.12 3i7f s TYR 86 Cb 0.20 -1.65 -0.03 0.00 -0.40 0.00 0.00 41.96 40.08 3i7f s TYR 86 CO 0.47 0.54 -0.04 0.95 -1.57 0.00 0.00 175.55 175.90 3i7f s THR 87 N -1.40 0.19 0.34 -0.71 -4.23 -1.26 -1.20 115.64 107.38 3i7f s THR 87 Ca 0.30 -1.17 -0.11 0.00 -1.18 0.00 0.00 61.69 59.53 3i7f s THR 87 Cb -0.12 -0.63 0.03 0.00 1.34 0.00 0.00 72.50 73.11 3i7f s THR 87 CO 0.23 -0.62 0.64 0.00 -0.54 0.00 0.00 174.62 174.32 3i7f s GLN 89 N -2.93 2.80 0.03 0.00 0.74 -1.26 -0.48 119.66 118.57 3i7f s GLN 89 Ca 0.21 -0.70 0.09 0.00 0.05 0.00 0.00 55.36 55.01 3i7f s GLN 89 Cb -0.03 -2.45 -0.03 0.00 1.10 0.00 0.00 33.01 31.60 3i7f s GLN 89 CO 0.14 0.48 -0.26 0.00 -0.55 0.00 0.00 175.29 175.09 3i7f s ALA 90 N -0.34 2.24 -0.13 1.58 0.00 -0.05 -1.30 121.76 123.76 3i7f s ALA 90 Ca 0.03 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.76 3i7f s ALA 90 Cb -0.13 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.52 3i7f s ALA 90 CO 0.02 0.53 -0.14 -1.17 0.00 0.00 0.00 175.76 175.01 3i7f s LEU 91 N -1.12 1.67 -0.26 0.00 2.96 0.20 -0.78 118.68 121.35 3i7f s LEU 91 Ca 0.11 -0.45 -0.09 0.00 -0.22 0.00 0.00 54.13 53.48 3i7f s LEU 91 Cb -0.10 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 3i7f s LEU 91 CO 0.02 -0.03 0.12 -0.69 -1.32 0.00 0.00 176.35 174.45 3i7f s VAL 92 N 1.28 4.80 -0.07 1.68 1.01 -0.19 -0.87 120.40 128.05 3i7f s VAL 92 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.99 3i7f s VAL 92 Cb -0.14 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 33.00 3i7f s VAL 92 CO -0.07 0.31 -0.11 -0.32 0.00 0.00 0.00 175.10 174.91 3i7f s MET 93 N 1.61 1.63 0.34 2.72 1.75 -1.26 -0.50 119.30 125.59 3i7f s MET 93 Ca 0.07 -0.37 -0.27 0.00 -1.25 0.00 0.00 55.69 53.86 3i7f s MET 93 Cb -0.15 -1.41 -0.12 0.00 2.84 0.00 0.00 34.83 35.99 3i7f s MET 93 CO 0.07 -0.02 1.16 1.17 -0.65 0.00 0.00 175.02 176.74 3i7f n LYS 94 N 4.00 1.75 -1.03 4.11 4.81 -0.50 -4.67 118.16 126.63 3i7f n LYS 94 Ca -0.21 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 3i7f n LYS 94 Cb 0.51 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.43 3i7f n LYS 94 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3i7f n SER 95 N 0.84 0.00 0.28 3.14 3.41 0.50 -4.92 113.62 116.88 3i7f n SER 95 Ca 0.07 -0.83 0.13 0.00 -0.26 0.00 0.00 58.87 57.98 3i7f n SER 95 Cb 0.35 0.00 0.83 0.00 -0.26 0.00 0.00 64.21 65.13 3i7f n SER 95 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3i7f h GLU 96 N 0.00 0.00 -0.00 4.33 5.08 -2.03 -3.28 114.58 118.68 3i7f h GLU 96 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i7f h GLU 96 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3i7f h GLU 96 CO 0.00 0.02 -0.02 0.25 -1.00 0.00 0.00 179.01 178.27 3i7f n THR 97 N -3.96 0.00 -3.84 1.13 -2.24 -1.26 -4.93 114.28 99.18 3i7f n THR 97 Ca -0.03 -0.49 -0.26 0.00 -2.27 0.00 0.00 64.05 61.00 3i7f n THR 97 Cb 0.11 1.01 -0.17 0.00 -2.10 0.00 0.00 70.33 69.18 3i7f n THR 97 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3i7f s ILE 98 N -0.45 0.80 0.41 2.28 1.01 -1.24 -5.08 121.20 118.95 3i7f s ILE 98 Ca 0.01 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.35 3i7f s ILE 98 Cb 0.01 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.48 3i7f s ILE 98 CO 0.02 0.16 0.59 -0.94 0.00 0.00 0.00 174.94 174.77 3i7f s SER 99 N 1.78 5.77 0.31 3.58 1.04 -1.26 -0.37 113.70 124.55 3i7f s SER 99 Ca 0.02 -0.07 0.08 0.00 0.48 0.00 0.00 55.95 56.47 3i7f s SER 99 Cb -0.14 -1.16 0.84 0.00 0.10 0.00 0.00 66.02 65.65 3i7f s SER 99 CO -0.07 -0.67 1.72 0.50 0.98 0.00 0.00 173.24 175.69 3i7f h LYS 100 N 0.58 0.50 -0.12 4.02 3.64 -1.99 0.36 116.57 123.56 3i7f h LYS 100 Ca -0.44 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 58.76 3i7f h LYS 100 Cb 1.27 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3i7f h LYS 100 CO 0.53 0.33 -0.56 0.93 -2.27 0.00 0.00 179.45 178.41 3i7f h GLU 101 N 0.52 0.38 0.04 1.90 3.07 -1.99 -1.92 114.58 116.58 3i7f h GLU 101 Ca 0.62 -0.24 -0.00 0.00 -0.50 0.00 0.00 59.36 59.24 3i7f h GLU 101 Cb 1.18 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 3i7f h GLU 101 CO -0.49 0.84 -0.02 0.35 -1.40 0.00 0.00 179.01 178.28 3i7f h PHE 102 N 0.29 -0.05 0.09 4.33 3.04 -1.35 -2.14 116.94 121.15 3i7f h PHE 102 Ca 0.00 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 3i7f h PHE 102 Cb 1.07 0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.60 3i7f h PHE 102 CO 0.03 -0.01 -0.04 0.28 -2.02 0.00 0.00 178.31 176.55 3i7f h VAL 103 N -0.07 0.94 0.00 1.41 2.07 -1.08 -2.57 116.25 116.95 3i7f h VAL 103 Ca -0.01 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3i7f h VAL 103 Cb 0.06 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3i7f h VAL 103 CO 0.01 0.02 -0.10 0.06 0.02 0.00 0.00 177.57 177.59 3i7f h GLN 104 N -0.17 0.00 0.24 1.57 3.07 -1.38 0.12 115.11 118.56 3i7f h GLN 104 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 3i7f h GLN 104 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.70 3i7f h GLN 104 CO 0.02 0.10 -0.11 0.35 0.09 0.00 0.00 178.83 179.27 3i7f h PHE 105 N 0.00 -0.30 -0.71 0.06 3.57 -1.23 -2.83 116.94 115.51 3i7f h PHE 105 Ca -0.00 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 3i7f h PHE 105 Cb 0.58 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 3i7f h PHE 105 CO 0.00 -0.15 0.16 0.00 -2.23 0.00 0.00 178.31 176.09 3i7f h GLN 107 N 1.07 0.00 -0.02 0.00 -0.00 -1.04 -2.76 115.11 112.36 3i7f h GLN 107 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.87 3i7f h GLN 107 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.87 3i7f h GLN 107 CO 0.00 0.06 -0.01 1.63 -0.00 0.00 0.00 178.83 180.52 3i7f n LYS 108 N -3.40 1.99 -1.98 0.06 5.02 -0.80 -4.92 118.16 114.13 3i7f n LYS 108 Ca -0.02 -1.45 -0.42 0.00 -2.02 0.00 0.00 58.31 54.40 3i7f n LYS 108 Cb 0.20 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.71 3i7f n LYS 108 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i7f s ILE 109 N -2.01 2.79 0.42 -0.18 1.01 -1.04 -4.84 121.20 117.34 3i7f s ILE 109 Ca 0.33 0.54 -0.22 0.00 0.00 0.00 0.00 60.65 61.30 3i7f s ILE 109 Cb 0.20 -3.35 -0.10 0.00 0.01 0.00 0.00 42.46 39.22 3i7f s ILE 109 CO 0.32 0.04 0.97 -0.94 0.00 0.00 0.00 174.94 175.33 3i7f s SER 110 N 1.26 6.90 0.28 3.58 1.04 -1.26 -4.90 113.70 120.60 3i7f s SER 110 Ca 0.69 1.79 -0.30 0.00 0.48 0.00 0.00 55.95 58.62 3i7f s SER 110 Cb -0.42 -2.56 -0.13 0.00 0.10 0.00 0.00 66.02 63.01 3i7f s SER 110 CO 0.31 -0.39 1.33 0.00 0.98 0.00 0.00 173.24 175.47 3i7f n ALA 111 N -0.40 1.06 -1.00 5.32 0.00 -1.26 -2.47 120.51 121.75 3i7f n ALA 111 Ca 0.06 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3i7f n ALA 111 Cb 0.53 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3i7f n ALA 111 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i7f n GLU 112 N 1.36 -0.06 -2.18 0.00 -0.58 0.69 -4.73 120.64 115.13 3i7f n GLU 112 Ca 0.09 0.02 -0.40 0.00 -0.42 0.00 0.00 57.16 56.44 3i7f n GLU 112 Cb 0.33 -3.04 -0.02 0.00 -0.57 0.00 0.00 31.44 28.14 3i7f n GLU 112 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3i7f s SER 113 N -2.06 6.83 -0.04 1.62 0.01 -1.03 -4.66 113.70 114.38 3i7f s SER 113 Ca 0.00 2.60 -0.21 0.00 1.31 0.00 0.00 55.95 59.65 3i7f s SER 113 Cb 0.00 -2.64 -0.05 0.00 0.21 0.00 0.00 66.02 63.54 3i7f s SER 113 CO 0.00 -0.48 0.62 -0.63 0.41 0.00 0.00 173.24 173.15 3i7f s ILE 114 N -1.16 4.99 0.09 1.44 1.01 -0.21 -0.87 121.20 126.49 3i7f s ILE 114 Ca 0.49 1.28 0.03 0.00 0.00 0.00 0.00 60.65 62.44 3i7f s ILE 114 Cb -0.38 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 3i7f s ILE 114 CO 0.50 0.35 -0.09 0.00 0.00 0.00 0.00 174.94 175.70 3i7f s ASP 116 N -2.47 5.36 -0.24 0.00 1.11 -0.15 -1.43 116.67 118.84 3i7f s ASP 116 Ca 0.05 -0.91 -0.05 0.00 0.18 0.00 0.00 52.55 51.82 3i7f s ASP 116 Cb -0.02 -1.92 -0.01 0.00 1.07 0.00 0.00 42.92 42.05 3i7f s ASP 116 CO -0.01 -0.28 0.00 -0.63 1.18 0.00 0.00 175.17 175.42 3i7f s ILE 117 N 1.49 3.61 -0.11 0.77 1.01 -0.67 -1.83 121.20 125.47 3i7f s ILE 117 Ca 0.01 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 60.07 3i7f s ILE 117 Cb -0.18 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 3i7f s ILE 117 CO 0.04 0.32 0.16 -0.89 0.00 0.00 0.00 174.94 174.57 3i7f s THR 118 N 1.49 5.47 0.07 2.92 2.01 -0.57 -1.34 115.64 125.69 3i7f s THR 118 Ca 0.05 0.26 -0.27 0.00 0.31 0.00 0.00 61.69 62.04 3i7f s THR 118 Cb -0.15 -3.43 0.09 0.00 0.01 0.00 0.00 72.50 69.03 3i7f s THR 118 CO -0.01 0.61 1.16 -0.83 -0.69 0.00 0.00 174.62 174.86 3i7f s GLY 119 N -1.00 -0.20 -0.17 4.40 0.00 0.55 -1.32 107.32 109.58 3i7f s GLY 119 Ca 0.15 0.21 -0.16 0.00 0.00 0.00 0.00 44.72 44.92 3i7f s GLY 119 CO 0.05 1.65 0.40 -0.42 0.00 0.00 0.00 173.10 174.78 3i7f s ILE 120 N -2.48 5.22 -0.36 0.90 1.09 -0.43 -0.07 121.20 125.06 3i7f s ILE 120 Ca 0.18 0.75 -0.29 0.00 -1.10 0.00 0.00 60.65 60.20 3i7f s ILE 120 Cb 0.01 -3.74 0.00 0.00 -1.06 0.00 0.00 42.46 37.67 3i7f s ILE 120 CO 0.00 0.30 1.42 -0.69 -0.10 0.00 0.00 174.94 175.87 3i7f s VAL 121 N 0.93 3.93 0.08 2.92 1.01 -0.28 -1.27 120.40 127.72 3i7f s VAL 121 Ca 0.21 0.99 0.07 0.00 0.00 0.00 0.00 61.98 63.25 3i7f s VAL 121 Cb -0.14 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 3i7f s VAL 121 CO 0.08 -0.62 -0.15 -0.54 0.00 0.00 0.00 175.10 173.86 3i7f s LYS 122 N 4.73 2.03 0.79 2.72 1.02 -0.31 0.18 119.74 130.88 3i7f s LYS 122 Ca 0.62 -1.03 -0.11 0.00 0.02 0.00 0.00 55.97 55.46 3i7f s LYS 122 Cb -0.16 -2.21 0.06 0.00 -0.52 0.00 0.00 37.83 35.00 3i7f s LYS 122 CO 0.30 0.52 1.09 0.00 -0.92 0.00 0.00 175.35 176.33 3i7f s ALA 123 N -1.06 2.19 -0.13 5.17 0.00 -1.26 -1.43 121.76 125.23 3i7f s ALA 123 Ca 0.17 0.13 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 3i7f s ALA 123 Cb -0.11 -3.23 0.04 0.00 0.00 0.00 0.00 23.12 19.83 3i7f s ALA 123 CO 0.09 -1.78 0.01 0.08 0.00 0.00 0.00 175.76 174.16 3i7f s VAL 124 N -2.96 0.50 0.44 0.00 1.01 -1.22 -4.73 120.40 113.44 3i7f s VAL 124 Ca 0.61 -0.24 0.17 0.00 0.00 0.00 0.00 61.98 62.52 3i7f s VAL 124 Cb -0.16 -0.81 0.21 0.00 0.00 0.00 0.00 36.38 35.61 3i7f s VAL 124 CO 0.56 0.04 2.01 -0.33 0.00 0.00 0.00 175.10 177.38 3i7f h GLU 125 N 8.28 0.00 -5.02 2.72 5.08 -1.97 -3.40 114.58 120.26 3i7f h GLU 125 Ca -0.19 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.53 3i7f h GLU 125 Cb 1.12 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.17 3i7f h GLU 125 CO 0.31 0.17 -0.59 0.15 -1.00 0.00 0.00 179.01 178.05 3i7f s LYS 126 N -4.52 3.78 0.67 2.33 1.02 -1.26 -5.09 119.74 116.66 3i7f s LYS 126 Ca -0.04 -0.42 -0.14 0.00 0.02 0.00 0.00 55.97 55.39 3i7f s LYS 126 Cb 0.15 -3.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 3i7f s LYS 126 CO 0.67 -0.07 1.10 -1.25 -0.92 0.00 0.00 175.35 174.88 3i7f s PRO 127 N 1.33 2.78 -0.83 -1.68 0.04 -1.26 -4.97 135.00 130.41 3i7f s PRO 127 Ca 0.05 1.35 -0.09 0.00 0.04 0.00 0.00 61.00 62.35 3i7f s PRO 127 Cb -0.15 -1.95 0.21 0.00 0.04 0.00 0.00 34.50 32.66 3i7f s PRO 127 CO 0.04 -1.26 0.74 0.42 0.04 0.00 0.00 177.00 176.99 3i7f s ILE 128 N -2.42 5.04 0.52 0.56 1.01 0.28 -4.96 121.20 121.24 3i7f s ILE 128 Ca 0.66 -2.92 0.24 0.00 0.00 0.00 0.00 60.65 58.63 3i7f s ILE 128 Cb -0.20 -4.13 0.39 0.00 0.01 0.00 0.00 42.46 38.53 3i7f s ILE 128 CO 0.43 -1.02 2.00 1.05 0.00 0.00 0.00 174.94 177.40 3i7f h GLU 129 N 7.19 0.02 0.00 2.79 -0.00 -1.94 -1.74 114.58 120.91 3i7f h GLU 129 Ca 0.10 -0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.44 3i7f h GLU 129 Cb 0.96 -0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.71 3i7f h GLU 129 CO 0.79 0.01 -0.05 0.87 -0.00 0.00 0.00 179.01 180.63 3i7f h LYS 130 N 0.02 0.00 -6.44 1.06 6.56 -1.98 -3.46 116.57 112.33 3i7f h LYS 130 Ca 0.24 0.00 -0.51 0.00 -1.06 0.00 0.00 60.65 59.32 3i7f h LYS 130 Cb 0.93 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.58 3i7f h LYS 130 CO -0.01 0.05 -0.20 0.00 -2.06 0.00 0.00 179.45 177.24 3i7f s ALA 131 N -3.25 3.70 0.11 3.86 0.00 -0.65 -5.01 121.76 120.52 3i7f s ALA 131 Ca 0.06 -0.75 -0.09 0.00 0.00 0.00 0.00 51.96 51.18 3i7f s ALA 131 Cb 0.06 -2.16 -0.14 0.00 0.00 0.00 0.00 23.12 20.88 3i7f s ALA 131 CO 0.66 0.19 1.29 1.79 0.00 0.00 0.00 175.76 179.68 3i7f h THR 132 N 1.17 1.32 -2.17 0.00 1.35 -1.74 -3.37 112.91 109.47 3i7f h THR 132 Ca -0.48 -2.20 -0.65 0.00 -0.55 0.00 0.00 66.41 62.52 3i7f h THR 132 Cb 1.20 2.24 -0.15 0.00 -1.73 0.00 0.00 68.15 69.71 3i7f h THR 132 CO 0.65 0.68 0.93 -1.10 -0.25 0.00 0.00 175.52 176.43 3i7f s GLN 133 N -3.47 3.49 0.07 4.72 -1.52 -0.83 -4.87 119.66 117.25 3i7f s GLN 133 Ca -0.08 -1.39 0.18 0.00 -1.95 0.00 0.00 55.36 52.11 3i7f s GLN 133 Cb 0.08 -4.86 -0.13 0.00 -0.22 0.00 0.00 33.01 27.89 3i7f s GLN 133 CO 0.89 -1.89 0.81 1.04 -0.25 0.00 0.00 175.29 175.89 3i7f n GLN 134 N 7.38 0.62 -0.69 2.91 6.02 -1.26 -4.36 117.38 128.00 3i7f n GLN 134 Ca 0.20 0.17 0.08 0.00 -0.01 0.00 0.00 57.00 57.44 3i7f n GLN 134 Cb 0.49 -1.78 0.36 0.00 1.02 0.00 0.00 30.24 30.32 3i7f n GLN 134 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3i7f n ASP 135 N -2.80 4.96 -3.60 1.08 10.43 -1.26 -0.56 116.55 124.81 3i7f n ASP 135 Ca -0.09 -2.71 -0.13 0.00 2.57 0.00 0.00 54.79 54.44 3i7f n ASP 135 Cb 0.78 -0.60 -0.06 0.00 1.84 0.00 0.00 41.12 43.08 3i7f n ASP 135 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3i7f s VAL 136 N -2.32 0.00 0.05 2.53 1.01 -1.26 -3.45 120.40 116.95 3i7f s VAL 136 Ca 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 3i7f s VAL 136 Cb 0.36 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 3i7f s VAL 136 CO 0.19 0.00 -0.02 -1.83 0.00 0.00 0.00 175.10 173.43 3i7f s GLU 137 N -0.35 0.57 -0.21 2.72 -1.05 -0.51 -4.66 118.70 115.21 3i7f s GLU 137 Ca -0.02 -1.11 -0.18 0.00 -0.15 0.00 0.00 54.97 53.51 3i7f s GLU 137 Cb -0.03 0.20 -0.03 0.00 -0.44 0.00 0.00 34.13 33.83 3i7f s GLU 137 CO 0.01 -0.11 0.52 0.42 0.95 0.00 0.00 175.26 177.05 3i7f s ILE 138 N -3.51 5.10 -0.42 1.83 1.01 -0.42 -1.16 121.20 123.62 3i7f s ILE 138 Ca 0.03 0.94 -0.20 0.00 0.00 0.00 0.00 60.65 61.42 3i7f s ILE 138 Cb 0.05 -3.84 0.02 0.00 0.01 0.00 0.00 42.46 38.70 3i7f s ILE 138 CO -0.09 0.16 0.62 -1.00 0.00 0.00 0.00 174.94 174.64 3i7f s HIS 139 N 1.75 3.08 0.33 3.97 3.76 -0.39 0.62 115.29 128.41 3i7f s HIS 139 Ca 0.23 -0.02 -0.27 0.00 -0.15 0.00 0.00 55.06 54.85 3i7f s HIS 139 Cb -0.15 -3.28 -0.09 0.00 1.11 0.00 0.00 32.58 30.16 3i7f s HIS 139 CO 0.09 -0.82 1.11 0.08 -0.85 0.00 0.00 174.74 174.36 3i7f s VAL 140 N 2.75 3.43 0.00 -0.90 1.01 -0.05 -1.32 120.40 125.32 3i7f s VAL 140 Ca 0.22 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.51 3i7f s VAL 140 Cb -0.14 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.45 3i7f s VAL 140 CO 0.18 0.22 0.00 0.35 0.00 0.00 0.00 175.10 175.85 3i7f n THR 141 N 0.68 0.00 -3.55 3.92 -2.24 -0.44 -4.80 114.28 107.85 3i7f n THR 141 Ca 0.01 -0.31 -0.14 0.00 -2.27 0.00 0.00 64.05 61.34 3i7f n THR 141 Cb 0.46 0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 69.44 3i7f n THR 141 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3i7f s SER 142 N -1.38 -0.52 0.01 3.42 0.15 -1.10 -4.95 113.70 109.33 3i7f s SER 142 Ca 0.00 0.58 -0.04 0.00 0.70 0.00 0.00 55.95 57.18 3i7f s SER 142 Cb 0.00 0.44 -0.01 0.00 -1.71 0.00 0.00 66.02 64.74 3i7f s SER 142 CO 0.00 -0.47 0.08 -0.51 1.20 0.00 0.00 173.24 173.53 3i7f s ILE 143 N -1.12 0.08 -0.15 6.45 2.07 0.99 -1.51 121.20 128.01 3i7f s ILE 143 Ca -0.06 -0.70 -0.04 0.00 -1.41 0.00 0.00 60.65 58.43 3i7f s ILE 143 Cb -0.00 -0.35 0.07 0.00 0.13 0.00 0.00 42.46 42.31 3i7f s ILE 143 CO 0.06 -0.39 0.19 0.00 -1.91 0.00 0.00 174.94 172.89 3i7f s ALA 144 N -1.28 -0.19 -0.21 1.50 0.00 -0.76 -2.72 121.76 118.10 3i7f s ALA 144 Ca -0.14 0.38 -0.29 0.00 0.00 0.00 0.00 51.96 51.91 3i7f s ALA 144 Cb -0.08 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 21.97 3i7f s ALA 144 CO 0.01 -0.91 1.06 0.08 0.00 0.00 0.00 175.76 175.99 3i7f s VAL 145 N 2.31 4.64 -0.07 0.00 1.01 -0.04 -0.98 120.40 127.27 3i7f s VAL 145 Ca 0.04 1.97 -0.08 0.00 0.00 0.00 0.00 61.98 63.92 3i7f s VAL 145 Cb -0.14 -4.27 -0.29 0.00 0.00 0.00 0.00 36.38 31.68 3i7f s VAL 145 CO -0.09 -0.15 0.55 0.58 0.00 0.00 0.00 175.10 175.99 3i7f h VAL 146 N 5.41 0.81 -2.67 2.92 2.07 -1.46 -0.39 116.25 122.94 3i7f h VAL 146 Ca -0.21 -2.46 -0.27 0.00 0.82 0.00 0.00 66.70 64.57 3i7f h VAL 146 Cb 1.08 2.65 -0.34 0.00 -1.52 0.00 0.00 31.29 33.15 3i7f h VAL 146 CO 0.96 0.87 -0.59 -0.55 0.02 0.00 0.00 177.57 178.28 3i7f s SER 147 N -7.15 0.91 -0.09 0.57 0.15 -1.11 -4.75 113.70 102.22 3i7f s SER 147 Ca -0.18 0.13 -0.24 0.00 0.70 0.00 0.00 55.95 56.36 3i7f s SER 147 Cb 0.06 0.51 -0.03 0.00 -1.71 0.00 0.00 66.02 64.85 3i7f s SER 147 CO 0.82 -0.29 0.73 -0.22 1.20 0.00 0.00 173.24 175.48 3i7f s LEU 148 N 2.36 4.29 0.43 3.45 2.96 -1.26 -1.04 118.68 129.86 3i7f s LEU 148 Ca 0.05 1.18 -0.21 0.00 -0.22 0.00 0.00 54.13 54.93 3i7f s LEU 148 Cb -0.14 -3.11 -0.11 0.00 0.50 0.00 0.00 46.19 43.33 3i7f s LEU 148 CO -0.10 -0.17 0.95 0.00 -1.32 0.00 0.00 176.35 175.70 3i7f s ALA 149 N 1.09 3.05 0.86 5.97 0.00 -1.26 -4.99 121.76 126.47 3i7f s ALA 149 Ca 0.38 0.41 -0.12 0.00 0.00 0.00 0.00 51.96 52.63 3i7f s ALA 149 Cb -0.18 -3.16 0.11 0.00 0.00 0.00 0.00 23.12 19.90 3i7f s ALA 149 CO 0.17 0.12 1.13 -1.21 0.00 0.00 0.00 175.76 175.97 3i7f s GLU 150 N -3.11 1.57 -0.01 0.00 2.02 -1.26 -4.52 118.70 113.39 3i7f s GLU 150 Ca 0.61 0.38 -0.17 0.00 0.02 0.00 0.00 54.97 55.81 3i7f s GLU 150 Cb -0.10 -1.88 0.03 0.00 0.10 0.00 0.00 34.13 32.28 3i7f s GLU 150 CO 0.14 -1.92 0.37 1.52 0.02 0.00 0.00 175.26 175.39 3i7f s TYR 151 N -3.28 -0.25 0.40 1.61 1.13 -0.73 -4.58 117.35 111.65 3i7f s TYR 151 Ca 0.62 0.36 -0.11 0.00 -1.41 0.00 0.00 57.07 56.54 3i7f s TYR 151 Cb -0.14 0.16 -0.06 0.00 -1.10 0.00 0.00 41.96 40.81 3i7f s TYR 151 CO 0.53 -0.45 0.77 -1.25 -2.51 0.00 0.00 175.55 172.63 3i7f s PRO 152 N -1.56 3.78 0.49 -3.49 0.04 -1.26 -3.93 135.00 129.06 3i7f s PRO 152 Ca -0.11 0.47 -0.23 0.00 0.04 0.00 0.00 61.00 61.17 3i7f s PRO 152 Cb -0.04 -2.39 -0.07 0.00 0.04 0.00 0.00 34.50 32.05 3i7f s PRO 152 CO 0.04 -0.03 1.23 -0.51 0.04 0.00 0.00 177.00 177.76 3i7f s LEU 153 N -3.83 3.96 0.46 -3.56 1.43 -1.26 -4.92 118.68 110.96 3i7f s LEU 153 Ca 0.51 2.45 0.16 0.00 -1.03 0.00 0.00 54.13 56.22 3i7f s LEU 153 Cb -0.10 -4.25 1.08 0.00 0.03 0.00 0.00 46.19 42.94 3i7f s LEU 153 CO 0.31 -1.13 2.02 1.55 0.23 0.00 0.00 176.35 179.33 3i7f h PRO 154 N 1.86 0.00 -3.24 1.29 0.13 -1.98 -3.44 132.00 126.61 3i7f h PRO 154 Ca -0.50 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.47 3i7f h PRO 154 Cb 1.26 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.15 3i7f h PRO 154 CO 0.59 0.16 -0.46 -1.64 -0.23 0.00 0.00 178.00 176.42 3i7f s MET 155 N -4.65 0.31 0.18 0.86 -1.94 -1.26 -5.10 119.30 107.70 3i7f s MET 155 Ca -0.04 0.18 -0.30 0.00 -1.71 0.00 0.00 55.69 53.82 3i7f s MET 155 Cb 0.16 0.14 -0.08 0.00 2.01 0.00 0.00 34.83 37.06 3i7f s MET 155 CO 0.68 -0.05 1.00 -0.65 -0.01 0.00 0.00 175.02 175.99 3i7f s GLN 156 N -0.18 4.72 0.12 2.03 -1.52 -1.26 -4.97 119.66 118.61 3i7f s GLN 156 Ca -0.03 1.55 -0.14 0.00 -1.95 0.00 0.00 55.36 54.79 3i7f s GLN 156 Cb -0.03 -3.31 -0.04 0.00 -0.22 0.00 0.00 33.01 29.42 3i7f s GLN 156 CO 0.01 0.28 1.51 0.82 -0.25 0.00 0.00 175.29 177.66 3i7f h ILE 157 N 3.61 1.28 -0.34 1.08 2.04 -1.96 -2.90 117.51 120.33 3i7f h ILE 157 Ca -0.44 -1.22 0.07 0.00 1.00 0.00 0.00 64.86 64.26 3i7f h ILE 157 Cb 1.21 1.28 -0.08 0.00 -0.74 0.00 0.00 36.82 38.49 3i7f h ILE 157 CO 0.70 0.41 -0.39 -0.08 0.00 0.00 0.00 178.15 178.79 3i7f h GLU 158 N 0.55 -0.32 -0.02 2.37 4.81 -1.97 -1.73 114.58 118.28 3i7f h GLU 158 Ca 0.09 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3i7f h GLU 158 Cb 0.65 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.11 3i7f h GLU 158 CO 0.04 -0.21 0.00 -0.40 -0.73 0.00 0.00 179.01 177.71 3i7f n ASP 159 N -5.42 0.29 0.13 1.04 5.68 -1.21 -1.83 116.55 115.22 3i7f n ASP 159 Ca -0.01 -1.36 0.08 0.00 -0.50 0.00 0.00 54.79 53.00 3i7f n ASP 159 Cb 0.35 -0.01 0.03 0.00 -1.14 0.00 0.00 41.12 40.35 3i7f n ASP 159 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3i7f h LEU 160 N 0.40 0.00 -0.29 -2.12 5.85 -1.11 -3.38 115.31 114.66 3i7f h LEU 160 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3i7f h LEU 160 Cb 0.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3i7f h LEU 160 CO 0.00 0.19 -0.82 0.41 -0.34 0.00 0.00 178.44 177.88 3i7f n THR 161 N -2.91 0.00 -1.92 1.05 -1.04 -0.76 -4.99 114.28 103.70 3i7f n THR 161 Ca -0.01 -0.09 -0.40 0.00 -2.04 0.00 0.00 64.05 61.51 3i7f n THR 161 Cb 0.63 1.07 -0.00 0.00 -1.82 0.00 0.00 70.33 70.21 3i7f n THR 161 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3i7f s PHE 162 N -2.78 2.72 0.36 -1.42 0.08 -1.19 -4.74 117.98 111.02 3i7f s PHE 162 Ca 0.11 1.29 -0.24 0.00 0.12 0.00 0.00 56.93 58.20 3i7f s PHE 162 Cb 0.16 -3.86 -0.10 0.00 -0.57 0.00 0.00 43.02 38.65 3i7f s PHE 162 CO 0.76 -2.55 0.96 -1.25 -0.10 0.00 0.00 175.22 173.05 3i7f s PRO 163 N -2.09 4.43 0.36 0.24 0.04 -1.26 -4.94 135.00 131.77 3i7f s PRO 163 Ca 0.54 1.31 0.18 0.00 0.04 0.00 0.00 61.00 63.07 3i7f s PRO 163 Cb -0.43 -2.61 1.26 0.00 0.04 0.00 0.00 34.50 32.76 3i7f s PRO 163 CO 0.57 0.13 1.56 0.43 0.04 0.00 0.00 177.00 179.74 3i7f n SER 164 N 0.16 0.28 -0.19 6.66 7.64 -1.26 -0.74 113.62 126.18 3i7f n SER 164 Ca 0.04 1.65 0.18 0.00 1.01 0.00 0.00 58.87 61.74 3i7f n SER 164 Cb 0.51 -0.78 0.52 0.00 -1.01 0.00 0.00 64.21 63.45 3i7f n SER 164 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3i7f h SER 165 N 0.00 0.37 -0.96 6.43 4.64 -1.92 -2.40 113.55 119.72 3i7f h SER 165 Ca 0.81 0.03 0.09 0.00 -0.47 0.00 0.00 61.79 62.25 3i7f h SER 165 Cb 2.09 -0.04 -0.08 0.00 -0.31 0.00 0.00 62.40 64.06 3i7f h SER 165 CO -0.79 0.17 0.60 0.58 -0.87 0.00 0.00 176.83 176.52 3i7f h VAL 166 N 0.38 0.98 0.00 0.95 2.07 -1.32 -0.29 116.25 119.03 3i7f h VAL 166 Ca 0.41 -0.35 -0.13 0.00 0.82 0.00 0.00 66.70 67.45 3i7f h VAL 166 Cb 1.01 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3i7f h VAL 166 CO -0.13 0.18 -0.60 -0.26 0.02 0.00 0.00 177.57 176.78 3i7f h PHE 167 N 1.01 0.00 0.35 1.57 0.04 -1.62 -1.52 116.94 116.77 3i7f h PHE 167 Ca 0.45 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.20 3i7f h PHE 167 Cb 0.34 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.50 3i7f h PHE 167 CO -0.02 0.60 -0.17 0.87 -0.60 0.00 0.00 178.31 179.00 3i7f h LYS 168 N 0.00 -0.45 0.00 1.51 6.56 -1.29 -2.51 116.57 120.39 3i7f h LYS 168 Ca -0.01 0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.61 3i7f h LYS 168 Cb 1.43 0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 33.19 3i7f h LYS 168 CO 0.08 -0.14 -0.00 1.57 -2.06 0.00 0.00 179.45 178.90 3i7f h LYS 169 N -0.81 0.00 0.20 3.15 5.09 -1.17 -2.12 116.57 120.91 3i7f h LYS 169 Ca -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.68 3i7f h LYS 169 Cb 0.52 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.85 3i7f h LYS 169 CO 0.08 0.00 -0.09 -0.56 -2.09 0.00 0.00 179.45 176.79 3i7f h GLN 170 N 0.00 -0.25 0.00 0.07 3.07 -1.20 -2.71 115.11 114.09 3i7f h GLN 170 Ca -0.00 0.02 -0.04 0.00 0.09 0.00 0.00 58.65 58.72 3i7f h GLN 170 Cb 0.01 0.06 -0.01 0.00 0.08 0.00 0.00 27.48 27.62 3i7f h GLN 170 CO 0.00 0.11 -0.20 1.05 0.09 0.00 0.00 178.83 179.88 3i7f h GLU 171 N -0.94 0.00 0.00 0.06 4.11 -1.31 -2.76 114.58 113.75 3i7f h GLU 171 Ca -0.03 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.18 3i7f h GLU 171 Cb 0.48 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 3i7f h GLU 171 CO 0.04 0.20 -1.17 1.05 0.07 0.00 0.00 179.01 179.20 3i7f h GLU 172 N 0.00 0.00 0.00 1.06 4.11 -1.52 -3.02 114.58 115.21 3i7f h GLU 172 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 3i7f h GLU 172 Cb 0.65 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 3i7f h GLU 172 CO 0.03 0.86 -0.02 -0.44 0.07 0.00 0.00 179.01 179.50 3i7f h ASP 173 N 0.00 0.00 -0.41 3.06 5.19 -1.20 -2.38 116.42 120.68 3i7f h ASP 173 Ca -0.08 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.00 3i7f h ASP 173 Cb 1.82 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 41.22 3i7f h ASP 173 CO 0.12 0.02 0.08 -0.38 -3.12 0.00 0.00 179.24 175.96 3i7f n ILE 174 N -3.54 3.20 0.08 0.35 5.41 -1.10 -3.80 119.36 119.97 3i7f n ILE 174 Ca -0.03 -2.14 0.00 0.00 1.00 0.00 0.00 62.75 61.59 3i7f n ILE 174 Cb 0.11 -1.87 -0.04 0.00 -0.71 0.00 0.00 39.64 37.13 3i7f n ILE 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i7f h ALA 175 N 3.09 0.64 -2.94 -1.39 0.00 -1.62 -3.49 119.26 113.54 3i7f h ALA 175 Ca 0.30 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3i7f h ALA 175 Cb 1.17 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3i7f h ALA 175 CO 0.54 0.84 0.00 0.36 0.00 0.00 0.00 179.25 180.99 3i7f n LYS 176 N -3.07 3.82 0.00 0.00 -0.00 -1.25 -5.20 118.16 112.46 3i7f n LYS 176 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 3i7f n LYS 176 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.84 3i7f n LYS 176 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3i7f n LYS 209 N 0.00 0.00 -2.56 -1.58 0.00 -1.26 -5.18 118.16 107.58 3i7f n LYS 209 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.90 3i7f n LYS 209 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 34.99 3i7f n LYS 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i7f s ALA 210 N -1.82 3.33 0.12 0.58 0.00 -1.26 -5.05 121.76 117.65 3i7f s ALA 210 Ca 0.00 0.75 0.07 0.00 0.00 0.00 0.00 51.96 52.78 3i7f s ALA 210 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 3i7f s ALA 210 CO 0.00 -0.20 -0.16 -1.12 0.00 0.00 0.00 175.76 174.27 3i7f s SER 211 N 0.17 2.18 -0.76 0.00 0.01 -1.26 -5.10 113.70 108.93 3i7f s SER 211 Ca 0.50 -0.76 -0.16 0.00 1.31 0.00 0.00 55.95 56.84 3i7f s SER 211 Cb -0.27 -0.10 0.16 0.00 0.21 0.00 0.00 66.02 66.02 3i7f s SER 211 CO 0.32 -0.07 0.80 0.00 0.41 0.00 0.00 173.24 174.71 3i7f s ALA 212 N -1.76 3.72 -0.40 1.44 0.00 -1.26 -4.93 121.76 118.58 3i7f s ALA 212 Ca 0.08 -2.86 0.26 0.00 0.00 0.00 0.00 51.96 49.43 3i7f s ALA 212 Cb -0.07 -3.61 1.03 0.00 0.00 0.00 0.00 23.12 20.47 3i7f s ALA 212 CO 0.04 -2.42 1.77 1.96 0.00 0.00 0.00 175.76 177.10 3i7f h GLN 213 N 8.46 0.00 0.00 0.00 1.08 -1.99 -3.48 115.11 119.19 3i7f h GLN 213 Ca -0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3i7f h GLN 213 Cb 1.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 3i7f h GLN 213 CO 0.94 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 180.45 3i7f n LYS 214 N -2.41 0.00 0.00 1.46 5.02 -1.26 -4.90 118.16 116.07 3i7f n LYS 214 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3i7f n LYS 214 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.28 3i7f n LYS 214 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i7f n TYR 215 N 13.87 0.00 0.00 2.13 4.01 -1.26 -5.19 117.16 130.72 3i7f n TYR 215 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3i7f n TYR 215 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3i7f n TYR 215 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 3i7f n VAL 216 N 0.00 0.00 -3.72 -0.72 3.14 -1.26 -5.10 118.33 110.67 3i7f n VAL 216 Ca 0.00 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.25 3i7f n VAL 216 Cb 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 3i7f n VAL 216 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 3i7f s LYS 217 N -2.61 0.46 0.84 1.45 2.47 -1.26 -4.96 119.74 116.13 3i7f s LYS 217 Ca 0.00 0.62 -0.13 0.00 -1.56 0.00 0.00 55.97 54.90 3i7f s LYS 217 Cb 0.00 0.17 0.05 0.00 -1.46 0.00 0.00 37.83 36.59 3i7f s LYS 217 CO 0.00 -0.08 0.81 0.28 0.16 0.00 0.00 175.35 176.52 3i7f n VAL 218 N 3.19 1.19 -0.75 4.02 0.31 -1.26 -4.92 118.33 120.10 3i7f n VAL 218 Ca -0.16 -0.22 -0.33 0.00 -0.01 0.00 0.00 64.34 63.62 3i7f n VAL 218 Cb 0.57 -0.91 0.14 0.00 -0.91 0.00 0.00 33.84 32.73 3i7f n VAL 218 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3i7f n SER 219 N -2.13 -2.17 0.00 4.52 3.41 -1.26 -4.73 113.62 111.27 3i7f n SER 219 Ca 0.11 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 3i7f n SER 219 Cb 0.51 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 3i7f n SER 219 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7f n GLN 220 N -1.85 0.00 -0.08 4.33 6.02 -1.26 -1.75 117.38 122.80 3i7f n GLN 220 Ca 0.05 0.05 -0.13 0.00 -0.01 0.00 0.00 57.00 56.96 3i7f n GLN 220 Cb 0.56 -1.70 -0.14 0.00 1.02 0.00 0.00 30.24 29.98 3i7f n GLN 220 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3i7f n ASP 221 N -0.84 0.87 0.13 1.08 10.43 -1.26 -1.77 116.55 125.19 3i7f n ASP 221 Ca 0.00 0.09 0.03 0.00 2.57 0.00 0.00 54.79 57.48 3i7f n ASP 221 Cb 0.20 0.24 0.43 0.00 1.84 0.00 0.00 41.12 43.83 3i7f n ASP 221 CO 0.00 0.00 0.00 0.74 -1.07 0.00 0.00 177.20 176.87 3i7f h THR 222 N 0.01 1.15 0.08 -3.53 2.02 -1.63 0.47 112.91 111.47 3i7f h THR 222 Ca -0.48 -0.63 -0.27 0.00 0.77 0.00 0.00 66.41 65.79 3i7f h THR 222 Cb 2.10 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 69.63 3i7f h THR 222 CO 0.02 0.20 -1.34 0.03 0.37 0.00 0.00 175.52 174.81 3i7f h ARG 223 N 0.21 0.16 -0.09 6.66 -0.00 -1.70 -3.16 114.38 116.46 3i7f h ARG 223 Ca 0.05 -0.28 -0.20 0.00 -0.50 0.00 0.00 59.98 59.05 3i7f h ARG 223 Cb 0.29 0.10 -0.00 0.00 0.00 0.00 0.00 29.97 30.36 3i7f h ARG 223 CO 0.01 1.04 -0.75 1.25 0.00 0.00 0.00 179.97 181.53 3i7f h LEU 224 N 0.04 0.59 -0.87 3.04 6.46 -1.06 -0.82 115.31 122.69 3i7f h LEU 224 Ca -0.16 -0.39 0.00 0.00 -0.12 0.00 0.00 57.88 57.21 3i7f h LEU 224 Cb 1.94 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 41.70 3i7f h LEU 224 CO 0.16 1.15 0.00 0.44 -0.62 0.00 0.00 178.44 179.56 3i7f h ASP 225 N 0.33 0.00 -1.63 1.25 3.32 -0.21 -2.99 116.42 116.50 3i7f h ASP 225 Ca -0.04 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.49 3i7f h ASP 225 Cb 1.34 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.48 3i7f h ASP 225 CO 0.14 0.00 -0.89 0.59 -1.72 0.00 0.00 179.24 177.35 3i7f n ASN 226 N -2.48 3.30 -0.27 6.45 3.02 -1.04 -4.94 115.26 119.30 3i7f n ASN 226 Ca 0.02 -3.36 0.02 0.00 -0.03 0.00 0.00 54.58 51.22 3i7f n ASN 226 Cb 0.26 -0.52 0.14 0.00 -0.61 0.00 0.00 39.78 39.05 3i7f n ASN 226 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3i7f h ARG 227 N 2.83 0.70 0.00 3.52 9.65 -1.00 -1.86 114.38 128.23 3i7f h ARG 227 Ca 0.13 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.94 3i7f h ARG 227 Cb 0.90 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.32 3i7f h ARG 227 CO 0.71 0.47 -0.17 0.00 2.80 0.00 0.00 179.97 183.77 3i7f h MET 228 N 0.72 0.00 -0.20 0.20 -0.00 -1.90 -0.49 114.93 113.27 3i7f h MET 228 Ca 0.36 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.88 3i7f h MET 228 Cb 0.32 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.93 3i7f h MET 228 CO -0.24 0.17 -0.60 1.25 -0.00 0.00 0.00 176.91 177.49 3i7f h LEU 229 N 0.00 0.88 -0.84 -0.10 6.46 -1.72 -3.26 115.31 116.74 3i7f h LEU 229 Ca -0.00 -0.58 -0.03 0.00 -0.12 0.00 0.00 57.88 57.14 3i7f h LEU 229 Cb 0.33 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 39.96 3i7f h LEU 229 CO 0.02 1.31 0.41 -0.78 -0.62 0.00 0.00 178.44 178.78 3i7f h ASP 230 N 0.50 1.09 0.60 1.25 3.58 -0.61 -2.74 116.42 120.09 3i7f h ASP 230 Ca -0.02 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.30 3i7f h ASP 230 Cb 1.22 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.99 3i7f h ASP 230 CO 0.13 0.92 0.00 0.18 -2.88 0.00 0.00 179.24 177.59 3i7f n LEU 231 N -4.32 0.61 0.18 2.28 4.77 -0.30 -1.96 117.00 118.26 3i7f n LEU 231 Ca 0.08 0.67 0.14 0.00 -0.03 0.00 0.00 56.01 56.87 3i7f n LEU 231 Cb 0.13 -0.61 0.50 0.00 -2.33 0.00 0.00 43.42 41.12 3i7f n LEU 231 CO 0.40 -0.60 0.90 0.03 -1.33 0.00 0.00 177.39 176.79 3i7f h ARG 232 N 0.00 0.00 -6.93 3.23 3.08 -1.54 -3.20 114.38 109.01 3i7f h ARG 232 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3i7f h ARG 232 Cb 0.30 0.00 0.14 0.00 0.08 0.00 0.00 29.97 30.49 3i7f h ARG 232 CO 0.00 0.00 0.52 0.25 -1.07 0.00 0.00 179.97 179.67 3i7f n THR 233 N -2.62 3.25 0.05 2.04 -2.24 -0.83 -4.77 114.28 109.16 3i7f n THR 233 Ca 0.02 -0.50 0.02 0.00 -2.27 0.00 0.00 64.05 61.32 3i7f n THR 233 Cb 0.32 -1.59 0.36 0.00 -2.10 0.00 0.00 70.33 67.32 3i7f n THR 233 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3i7f h VAL 234 N 1.65 1.17 0.29 2.28 -1.51 -1.88 -1.52 116.25 116.74 3i7f h VAL 234 Ca -0.49 -0.66 -0.00 0.00 -1.23 0.00 0.00 66.70 64.31 3i7f h VAL 234 Cb 1.30 0.96 -0.01 0.00 -2.13 0.00 0.00 31.29 31.41 3i7f h VAL 234 CO 0.58 0.22 -0.23 0.74 -1.23 0.00 0.00 177.57 177.65 3i7f h THR 235 N 0.41 0.50 -0.19 7.19 2.02 -1.89 -1.63 112.91 119.32 3i7f h THR 235 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 3i7f h THR 235 Cb 0.27 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3i7f h THR 235 CO 0.01 0.00 0.12 0.78 0.37 0.00 0.00 175.52 176.80 3i7f h ASN 236 N -0.53 0.21 -0.52 4.18 2.35 -1.68 0.47 115.58 120.05 3i7f h ASN 236 Ca -0.02 -0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.76 3i7f h ASN 236 Cb 0.47 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 3i7f h ASN 236 CO -0.02 0.15 0.34 0.16 -1.65 0.00 0.00 177.43 176.42 3i7f h ILE 237 N 0.25 1.07 -0.11 2.81 -0.00 -1.29 -1.59 117.51 118.65 3i7f h ILE 237 Ca 0.07 -0.21 -0.02 0.00 -0.00 0.00 0.00 64.86 64.70 3i7f h ILE 237 Cb -0.02 0.41 -0.00 0.00 -0.00 0.00 0.00 36.82 37.21 3i7f h ILE 237 CO -0.02 0.11 -0.02 0.00 -0.00 0.00 0.00 178.15 178.22 3i7f h ALA 238 N 1.70 0.15 -0.76 0.16 0.00 -0.20 -2.78 119.26 117.53 3i7f h ALA 238 Ca 0.21 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 55.03 3i7f h ALA 238 Cb 0.08 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.74 3i7f h ALA 238 CO -0.05 -0.13 0.35 0.82 0.00 0.00 0.00 179.25 180.24 3i7f h ILE 239 N -0.11 0.75 0.00 0.00 2.04 0.83 -2.09 117.51 118.93 3i7f h ILE 239 Ca 0.03 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3i7f h ILE 239 Cb 0.42 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3i7f h ILE 239 CO 0.01 0.10 -0.20 0.49 0.00 0.00 0.00 178.15 178.54 3i7f n PHE 240 N -4.92 0.81 -0.00 1.37 3.72 -0.84 -1.41 117.46 116.19 3i7f n PHE 240 Ca 0.14 0.23 -0.09 0.00 -0.05 0.00 0.00 57.45 57.68 3i7f n PHE 240 Cb 0.36 -0.85 0.07 0.00 -0.94 0.00 0.00 39.48 38.12 3i7f n PHE 240 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i7f h ARG 241 N 0.00 0.56 -0.06 -1.08 3.08 -1.10 -1.46 114.38 114.32 3i7f h ARG 241 Ca 0.00 -0.33 -0.18 0.00 0.07 0.00 0.00 59.98 59.54 3i7f h ARG 241 Cb 0.74 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 3i7f h ARG 241 CO 0.00 0.94 -0.72 0.82 -1.07 0.00 0.00 179.97 179.93 3i7f h ILE 242 N 0.44 1.40 -0.30 2.04 2.04 -0.95 0.23 117.51 122.40 3i7f h ILE 242 Ca 0.02 -2.18 -0.01 0.00 1.00 0.00 0.00 64.86 63.70 3i7f h ILE 242 Cb 1.04 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 39.24 3i7f h ILE 242 CO 0.10 0.65 0.17 -0.61 0.00 0.00 0.00 178.15 178.45 3i7f h GLN 243 N 0.23 0.42 -0.77 2.37 4.15 -1.21 -1.20 115.11 119.10 3i7f h GLN 243 Ca -0.03 -0.05 0.07 0.00 0.77 0.00 0.00 58.65 59.42 3i7f h GLN 243 Cb 1.29 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.85 3i7f h GLN 243 CO 0.12 0.36 0.51 1.03 -1.93 0.00 0.00 178.83 178.91 3i7f h SER 244 N 0.37 0.70 -0.30 -0.69 0.87 -0.99 -2.34 113.55 111.17 3i7f h SER 244 Ca 0.11 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 3i7f h SER 244 Cb 0.06 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 3i7f h SER 244 CO -0.02 0.45 0.12 0.00 -0.53 0.00 0.00 176.83 176.85 3i7f h ALA 245 N 1.59 0.40 -0.49 6.23 0.00 0.38 -1.45 119.26 125.92 3i7f h ALA 245 Ca 0.34 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.21 3i7f h ALA 245 Cb 0.29 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 3i7f h ALA 245 CO -0.12 -0.01 0.08 0.00 0.00 0.00 0.00 179.25 179.21 3i7f h GLY 248 N 0.56 0.47 0.99 0.00 0.00 -0.89 -1.46 103.07 102.75 3i7f h GLY 248 Ca 0.15 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 3i7f h GLY 248 CO -0.02 0.48 0.02 1.41 0.00 0.00 0.00 176.54 178.43 3i7f h LEU 249 N 0.05 0.81 -0.65 3.11 3.38 -0.94 0.78 115.31 121.85 3i7f h LEU 249 Ca 0.01 -0.30 0.12 0.00 0.09 0.00 0.00 57.88 57.81 3i7f h LEU 249 Cb 0.82 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.26 3i7f h LEU 249 CO 0.06 0.91 0.19 0.15 0.09 0.00 0.00 178.44 179.83 3i7f h PHE 250 N 0.69 0.31 -0.10 1.13 3.57 -1.12 0.11 116.94 121.54 3i7f h PHE 250 Ca 0.14 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 3i7f h PHE 250 Cb 0.48 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 3i7f h PHE 250 CO 0.04 0.00 -0.16 0.00 -2.23 0.00 0.00 178.31 175.96 3i7f h ARG 251 N 0.32 0.28 -0.91 1.11 2.47 -0.33 -2.84 114.38 114.49 3i7f h ARG 251 Ca 0.35 -0.17 0.02 0.00 -1.26 0.00 0.00 59.98 58.91 3i7f h ARG 251 Cb 0.52 0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.81 3i7f h ARG 251 CO -0.40 0.75 0.60 1.49 0.56 0.00 0.00 179.97 182.96 3i7f h GLU 252 N -0.16 1.17 0.07 0.04 4.81 0.11 -1.29 114.58 119.32 3i7f h GLU 252 Ca 0.01 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3i7f h GLU 252 Cb 0.73 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3i7f h GLU 252 CO 0.04 0.77 -0.03 0.35 -0.73 0.00 0.00 179.01 179.41 3i7f h PHE 253 N 1.20 -0.09 -0.28 0.92 3.57 -0.84 -1.46 116.94 119.97 3i7f h PHE 253 Ca 0.34 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.80 3i7f h PHE 253 Cb -0.10 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3i7f h PHE 253 CO -0.01 0.42 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.41 3i7f h LEU 254 N -0.66 0.40 -0.83 0.59 3.38 -1.47 -0.71 115.31 116.02 3i7f h LEU 254 Ca -0.01 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 3i7f h LEU 254 Cb 0.55 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3i7f h LEU 254 CO 0.02 0.47 -0.21 0.74 0.09 0.00 0.00 178.44 179.54 3i7f h THR 255 N 0.42 1.27 0.00 0.22 2.02 -1.20 -1.62 112.91 114.02 3i7f h THR 255 Ca 0.09 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 66.00 3i7f h THR 255 Cb 0.29 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3i7f h THR 255 CO 0.01 0.42 0.00 0.77 0.37 0.00 0.00 175.52 177.09 3i7f h SER 256 N 0.57 0.00 -0.54 4.18 4.64 -0.02 -1.27 113.55 121.11 3i7f h SER 256 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3i7f h SER 256 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3i7f h SER 256 CO 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 3i7f n GLN 257 N -2.87 2.81 -2.95 4.77 1.13 -0.84 -4.95 117.38 114.48 3i7f n GLN 257 Ca -0.01 -2.16 -0.19 0.00 -1.94 0.00 0.00 57.00 52.70 3i7f n GLN 257 Cb 0.19 -1.63 0.03 0.00 0.11 0.00 0.00 30.24 28.94 3i7f n GLN 257 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3i7f n LYS 258 N 0.97 -4.45 -2.68 -1.09 4.76 -0.48 -5.01 118.16 110.19 3i7f n LYS 258 Ca 0.20 0.79 -0.32 0.00 -2.87 0.00 0.00 58.31 56.10 3i7f n LYS 258 Cb 0.63 -5.40 -0.05 0.00 -1.84 0.00 0.00 35.03 28.37 3i7f n LYS 258 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3i7f s PHE 259 N -3.11 3.39 -0.14 2.13 0.40 -0.67 -4.83 117.98 115.16 3i7f s PHE 259 Ca 0.28 1.46 -0.02 0.00 -0.60 0.00 0.00 56.93 58.05 3i7f s PHE 259 Cb -0.12 -2.76 -0.02 0.00 0.51 0.00 0.00 43.02 40.63 3i7f s PHE 259 CO 0.35 -0.20 -0.08 0.08 0.70 0.00 0.00 175.22 176.07 3i7f s VAL 260 N -2.37 3.50 0.12 -0.44 1.01 -0.19 -4.60 120.40 117.43 3i7f s VAL 260 Ca 0.59 -0.50 -0.28 0.00 0.00 0.00 0.00 61.98 61.79 3i7f s VAL 260 Cb -0.10 -2.50 -0.06 0.00 0.00 0.00 0.00 36.38 33.72 3i7f s VAL 260 CO 0.23 0.51 0.88 -0.70 0.00 0.00 0.00 175.10 176.02 3i7f s GLU 261 N 0.27 4.65 0.20 2.72 2.12 -1.26 -1.96 118.70 125.44 3i7f s GLU 261 Ca -0.06 1.31 0.06 0.00 0.36 0.00 0.00 54.97 56.65 3i7f s GLU 261 Cb -0.15 -3.34 -0.05 0.00 0.26 0.00 0.00 34.13 30.85 3i7f s GLU 261 CO 0.04 0.32 -0.11 0.96 -0.54 0.00 0.00 175.26 175.93 3i7f s ILE 262 N -0.33 1.51 -0.18 -3.70 -4.36 -0.16 -4.92 121.20 109.06 3i7f s ILE 262 Ca 0.42 -2.15 -0.02 0.00 -0.26 0.00 0.00 60.65 58.64 3i7f s ILE 262 Cb -0.23 -2.07 0.06 0.00 1.25 0.00 0.00 42.46 41.47 3i7f s ILE 262 CO 0.28 -0.58 0.02 -1.00 0.24 0.00 0.00 174.94 173.91 3i7f s HIS 263 N -3.11 1.10 0.14 1.37 3.76 -1.26 -4.50 115.29 112.79 3i7f s HIS 263 Ca 0.22 -0.86 0.05 0.00 -0.15 0.00 0.00 55.06 54.32 3i7f s HIS 263 Cb 0.01 -1.05 -0.04 0.00 1.11 0.00 0.00 32.58 32.61 3i7f s HIS 263 CO 0.06 -0.60 0.10 0.95 -0.85 0.00 0.00 174.74 174.40 3i7f s THR 264 N 1.83 4.39 0.38 1.30 -4.23 -1.26 -5.07 115.64 112.99 3i7f s THR 264 Ca -0.01 -1.02 -0.27 0.00 -1.18 0.00 0.00 61.69 59.21 3i7f s THR 264 Cb -0.17 -3.20 -0.10 0.00 1.34 0.00 0.00 72.50 70.38 3i7f s THR 264 CO -0.08 -0.03 1.36 -2.16 -0.54 0.00 0.00 174.62 173.17 3i7f s PRO 265 N -2.84 4.08 -0.14 3.99 0.04 -1.26 -4.95 135.00 133.92 3i7f s PRO 265 Ca 0.30 2.29 0.17 0.00 0.04 0.00 0.00 61.00 63.80 3i7f s PRO 265 Cb -0.11 -2.88 -0.25 0.00 0.04 0.00 0.00 34.50 31.30 3i7f s PRO 265 CO 0.22 -0.45 0.26 1.63 0.04 0.00 0.00 177.00 178.71 3i7f n LYS 266 N 0.36 0.67 -2.59 4.56 4.76 -1.26 -4.67 118.16 119.99 3i7f n LYS 266 Ca 0.02 0.04 -0.43 0.00 -2.87 0.00 0.00 58.31 55.08 3i7f n LYS 266 Cb 0.42 -1.59 -0.01 0.00 -1.84 0.00 0.00 35.03 32.02 3i7f n LYS 266 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3i7f s LEU 267 N -5.52 3.79 -0.03 -0.35 1.43 -1.26 -0.70 118.68 116.04 3i7f s LEU 267 Ca -0.08 -2.22 0.09 0.00 -1.03 0.00 0.00 54.13 50.89 3i7f s LEU 267 Cb 0.07 -2.57 -0.24 0.00 0.03 0.00 0.00 46.19 43.49 3i7f s LEU 267 CO 0.84 -1.24 0.71 0.40 0.23 0.00 0.00 176.35 177.28 3i7f h ILE 268 N 5.85 0.94 -1.88 -0.59 2.04 -2.00 -3.49 117.51 118.39 3i7f h ILE 268 Ca 0.38 -2.75 0.13 0.00 1.00 0.00 0.00 64.86 63.63 3i7f h ILE 268 Cb 0.91 2.50 -0.06 0.00 -0.74 0.00 0.00 36.82 39.43 3i7f h ILE 268 CO 1.45 0.61 -0.34 -1.22 0.00 0.00 0.00 178.15 178.64 3i7f n TYR 289 N -3.16 -1.37 -2.81 1.37 4.02 -1.26 -4.99 117.16 108.96 3i7f n TYR 289 Ca -0.17 0.72 -0.25 0.00 -0.01 0.00 0.00 57.90 58.20 3i7f n TYR 289 Cb 1.04 -1.25 0.01 0.00 -0.02 0.00 0.00 39.34 39.12 3i7f n TYR 289 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3i7f s LEU 290 N -4.66 3.59 -0.66 7.72 1.43 -1.26 -4.98 118.68 119.85 3i7f s LEU 290 Ca 0.00 0.57 -0.25 0.00 -1.03 0.00 0.00 54.13 53.42 3i7f s LEU 290 Cb 0.00 -3.45 0.05 0.00 0.03 0.00 0.00 46.19 42.82 3i7f s LEU 290 CO 0.00 -0.71 1.10 0.00 0.23 0.00 0.00 176.35 176.97 3i7f s ALA 291 N -2.68 2.98 0.06 4.21 0.00 0.12 -4.89 121.76 121.56 3i7f s ALA 291 Ca 0.48 -1.46 -0.37 0.00 0.00 0.00 0.00 51.96 50.62 3i7f s ALA 291 Cb -0.10 -4.00 -0.20 0.00 0.00 0.00 0.00 23.12 18.81 3i7f s ALA 291 CO 0.41 -2.88 1.55 0.37 0.00 0.00 0.00 175.76 175.21 3i7f h GLN 292 N 9.69 -1.27 -5.11 0.00 -0.00 -1.91 -3.27 115.11 113.24 3i7f h GLN 292 Ca -0.28 0.09 -0.65 0.00 -0.00 0.00 0.00 58.65 57.81 3i7f h GLN 292 Cb 1.06 0.29 -0.34 0.00 0.00 0.00 0.00 27.48 28.49 3i7f h GLN 292 CO 1.20 -0.85 -0.86 -1.12 0.00 0.00 0.00 178.83 177.20 3i7f s SER 293 N -3.94 2.87 0.00 -0.69 0.01 -1.26 -3.25 113.70 107.44 3i7f s SER 293 Ca -0.19 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.53 3i7f s SER 293 Cb 0.02 -1.32 0.00 0.00 0.21 0.00 0.00 66.02 64.93 3i7f s SER 293 CO 0.58 0.09 0.23 -0.81 0.41 0.00 0.00 173.24 173.74 3i7f n PRO 294 N 3.88 0.40 -0.01 12.44 -0.04 -1.26 -4.04 135.00 146.36 3i7f n PRO 294 Ca -0.20 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.14 3i7f n PRO 294 Cb 0.52 -1.17 -0.08 0.00 -0.04 0.00 0.00 33.50 32.74 3i7f n PRO 294 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3i7f h GLN 295 N 0.51 0.11 -0.26 0.54 5.75 -1.98 -2.60 115.11 117.17 3i7f h GLN 295 Ca 0.00 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.53 3i7f h GLN 295 Cb 0.17 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.65 3i7f h GLN 295 CO 0.00 0.36 -0.13 -0.07 -2.65 0.00 0.00 178.83 176.34 3i7f h LEU 296 N -0.16 -0.44 -0.51 -2.39 4.07 -2.01 -1.89 115.31 111.98 3i7f h LEU 296 Ca 0.02 0.10 -0.15 0.00 0.08 0.00 0.00 57.88 57.93 3i7f h LEU 296 Cb 0.31 0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 3i7f h LEU 296 CO 0.00 -0.17 -0.45 1.88 -1.08 0.00 0.00 178.44 178.63 3i7f h TYR 297 N -0.10 0.87 -0.64 1.13 0.05 -1.88 -2.15 116.97 114.25 3i7f h TYR 297 Ca 0.14 -0.27 0.12 0.00 0.05 0.00 0.00 58.73 58.77 3i7f h TYR 297 Cb 0.31 -0.18 -0.12 0.00 1.01 0.00 0.00 36.73 37.75 3i7f h TYR 297 CO -0.31 1.03 -0.23 0.87 -1.05 0.00 0.00 178.16 178.47 3i7f h LYS 298 N 0.57 -0.06 -0.62 4.88 1.57 -1.18 0.57 116.57 122.30 3i7f h LYS 298 Ca 0.04 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3i7f h LYS 298 Cb 1.00 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 3i7f h LYS 298 CO 0.09 -0.04 0.22 1.96 -0.57 0.00 0.00 179.45 181.11 3i7f h GLN 299 N -0.06 0.92 0.00 3.15 4.20 -0.90 -2.38 115.11 120.04 3i7f h GLN 299 Ca 0.29 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 3i7f h GLN 299 Cb 0.52 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 3i7f h GLN 299 CO -0.69 0.77 -0.42 0.52 -0.67 0.00 0.00 178.83 178.34 3i7f h MET 300 N 0.90 0.00 -0.37 1.46 2.86 -0.66 -2.08 114.93 117.03 3i7f h MET 300 Ca 0.21 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.78 3i7f h MET 300 Cb 0.22 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3i7f h MET 300 CO -0.01 0.42 -0.07 0.00 1.06 0.00 0.00 176.91 178.30 3i7f h ALA 301 N 1.58 1.18 -0.26 6.32 0.00 -0.42 -2.10 119.26 125.57 3i7f h ALA 301 Ca -0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 3i7f h ALA 301 Cb 0.79 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3i7f h ALA 301 CO 0.05 0.53 -0.42 0.82 0.00 0.00 0.00 179.25 180.23 3i7f h ILE 302 N 0.58 1.30 0.00 0.00 1.08 -1.12 -1.70 117.51 117.64 3i7f h ILE 302 Ca 0.11 -1.60 0.00 0.00 -0.39 0.00 0.00 64.86 62.98 3i7f h ILE 302 Cb 0.48 1.55 0.00 0.00 -3.07 0.00 0.00 36.82 35.78 3i7f h ILE 302 CO 0.03 0.51 0.00 0.23 -0.69 0.00 0.00 178.15 178.22 3i7f n MET 303 N -4.02 0.21 -0.77 2.37 2.81 -0.85 -1.61 117.12 115.26 3i7f n MET 303 Ca -0.02 0.12 0.06 0.00 -1.81 0.00 0.00 57.70 56.04 3i7f n MET 303 Cb 0.53 -1.50 0.34 0.00 -0.71 0.00 0.00 33.22 31.89 3i7f n MET 303 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i7f n GLY 304 N 0.41 2.78 2.42 3.03 0.00 -0.66 -4.95 105.19 108.22 3i7f n GLY 304 Ca 0.08 -0.78 -0.18 0.00 0.00 0.00 0.00 46.02 45.14 3i7f n GLY 304 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i7f n ASP 305 N 0.52 -5.12 0.22 1.61 10.43 -0.63 -4.89 116.55 118.68 3i7f n ASP 305 Ca 0.24 0.21 0.14 0.00 2.57 0.00 0.00 54.79 57.95 3i7f n ASP 305 Cb 1.06 -4.18 0.43 0.00 1.84 0.00 0.00 41.12 40.26 3i7f n ASP 305 CO 0.00 0.00 0.00 -0.26 -1.07 0.00 0.00 177.20 175.87 3i7f h PHE 306 N 0.00 0.00 0.00 1.24 -1.00 -1.66 -3.47 116.94 112.05 3i7f h PHE 306 Ca -0.39 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.39 3i7f h PHE 306 Cb 1.23 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.79 3i7f h PHE 306 CO 0.48 0.00 0.00 -2.13 -1.61 0.00 0.00 178.31 175.05 3i7f n ARG 307 N -2.93 0.00 -3.60 1.51 0.63 -1.26 -4.63 116.66 106.37 3i7f n ARG 307 Ca 0.03 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.83 3i7f n ARG 307 Cb 0.41 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.20 3i7f n ARG 307 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3i7f s LYS 308 N 0.00 0.21 0.08 -0.14 1.02 -1.26 -0.38 119.74 119.26 3i7f s LYS 308 Ca 0.00 0.69 0.03 0.00 0.02 0.00 0.00 55.97 56.71 3i7f s LYS 308 Cb 0.00 -0.19 -0.03 0.00 -0.52 0.00 0.00 37.83 37.08 3i7f s LYS 308 CO 0.00 -0.38 -0.09 0.14 -0.92 0.00 0.00 175.35 174.10 3i7f s VAL 309 N 2.46 0.79 0.05 3.17 -7.23 -0.04 -1.02 120.40 118.57 3i7f s VAL 309 Ca 0.03 -1.46 -0.01 0.00 -1.81 0.00 0.00 61.98 58.74 3i7f s VAL 309 Cb -0.13 -1.12 -0.04 0.00 0.56 0.00 0.00 36.38 35.65 3i7f s VAL 309 CO -0.11 -0.51 -0.03 0.72 -0.31 0.00 0.00 175.10 174.86 3i7f s PHE 310 N -2.13 0.50 -0.02 2.82 -0.12 -0.83 -1.09 117.98 117.11 3i7f s PHE 310 Ca 0.00 -0.97 0.01 0.00 -0.05 0.00 0.00 56.93 55.92 3i7f s PHE 310 Cb -0.05 -0.36 0.01 0.00 -0.63 0.00 0.00 43.02 41.99 3i7f s PHE 310 CO -0.00 -0.33 -0.02 -2.00 -0.05 0.00 0.00 175.22 172.82 3i7f s GLU 311 N -3.48 0.32 -0.31 1.99 2.12 -0.24 -0.99 118.70 118.11 3i7f s GLU 311 Ca 0.03 -0.03 -0.04 0.00 0.36 0.00 0.00 54.97 55.29 3i7f s GLU 311 Cb 0.05 -0.39 0.04 0.00 0.26 0.00 0.00 34.13 34.08 3i7f s GLU 311 CO -0.08 -0.03 0.04 0.08 -0.54 0.00 0.00 175.26 174.73 3i7f s VAL 312 N 0.48 3.38 0.34 3.70 1.01 -1.26 -1.03 120.40 127.01 3i7f s VAL 312 Ca -0.05 -1.16 -0.18 0.00 0.00 0.00 0.00 61.98 60.60 3i7f s VAL 312 Cb -0.08 -2.88 0.05 0.00 0.00 0.00 0.00 36.38 33.47 3i7f s VAL 312 CO -0.01 -0.07 0.80 -0.83 0.00 0.00 0.00 175.10 174.99 3i7f s GLY 313 N 1.35 0.22 0.34 4.51 0.00 -0.75 -4.99 107.32 108.00 3i7f s GLY 313 Ca -0.02 -0.59 -0.25 0.00 0.00 0.00 0.00 44.72 43.86 3i7f s GLY 313 CO 0.00 -0.02 0.96 2.56 0.00 0.00 0.00 173.10 176.60 3i7f s PRO 314 N -2.70 4.50 -0.05 2.90 0.04 -1.26 0.18 135.00 138.61 3i7f s PRO 314 Ca 0.15 1.34 0.03 0.00 0.04 0.00 0.00 61.00 62.56 3i7f s PRO 314 Cb -0.05 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.78 3i7f s PRO 314 CO 0.10 0.20 -0.15 0.08 0.04 0.00 0.00 177.00 177.26 3i7f s VAL 315 N -1.67 1.28 -0.29 -0.36 1.01 0.89 -4.80 120.40 116.46 3i7f s VAL 315 Ca 0.52 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 3i7f s VAL 315 Cb -0.18 -1.12 0.04 0.00 0.00 0.00 0.00 36.38 35.12 3i7f s VAL 315 CO 0.23 0.38 -0.01 -0.36 0.00 0.00 0.00 175.10 175.34 3i7f s PHE 316 N 0.27 3.21 -0.77 5.22 0.08 -1.20 -1.39 117.98 123.40 3i7f s PHE 316 Ca -0.08 -1.75 -0.20 0.00 0.12 0.00 0.00 56.93 55.02 3i7f s PHE 316 Cb -0.13 -2.10 0.10 0.00 -0.57 0.00 0.00 43.02 40.32 3i7f s PHE 316 CO 0.03 -0.77 1.00 1.03 -0.10 0.00 0.00 175.22 176.40 3i7f s ARG 317 N 1.28 3.31 0.62 0.44 1.81 -0.85 -4.41 118.95 121.16 3i7f s ARG 317 Ca -0.04 -1.30 0.37 0.00 -1.72 0.00 0.00 55.73 53.04 3i7f s ARG 317 Cb -0.19 -4.53 2.07 0.00 -0.45 0.00 0.00 34.95 31.85 3i7f s ARG 317 CO -0.02 -1.76 2.29 0.00 -0.68 0.00 0.00 175.30 175.14 3i7f h ALA 318 N 9.19 1.26 -1.65 2.13 0.00 -1.94 -3.39 119.26 124.86 3i7f h ALA 318 Ca -0.10 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.17 3i7f h ALA 318 Cb 1.05 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3i7f h ALA 318 CO 1.14 0.01 1.34 0.39 0.00 0.00 0.00 179.25 182.13 3i7f n GLU 319 N -3.46 1.68 -1.89 0.00 -0.58 -1.26 -4.88 120.64 110.25 3i7f n GLU 319 Ca -0.03 0.52 -0.32 0.00 -0.42 0.00 0.00 57.16 56.91 3i7f n GLU 319 Cb 0.09 -2.75 -0.04 0.00 -0.57 0.00 0.00 31.44 28.17 3i7f n GLU 319 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3i7f s ASN 320 N 6.63 4.90 -0.28 1.62 4.22 -1.26 -4.76 114.94 126.01 3i7f s ASN 320 Ca 1.02 0.22 -0.03 0.00 -2.14 0.00 0.00 52.86 51.93 3i7f s ASN 320 Cb -0.65 -2.53 0.09 0.00 1.28 0.00 0.00 41.25 39.44 3i7f s ASN 320 CO 0.46 -2.75 0.10 -0.44 -2.04 0.00 0.00 177.10 172.43 3i7f s SER 321 N 9.27 3.57 -0.35 3.54 0.01 -1.26 -5.08 113.70 123.39 3i7f s SER 321 Ca 0.77 -1.32 0.02 0.00 1.31 0.00 0.00 55.95 56.73 3i7f s SER 321 Cb -0.12 -0.57 0.11 0.00 0.21 0.00 0.00 66.02 65.64 3i7f s SER 321 CO 0.15 -0.41 0.10 0.20 0.41 0.00 0.00 173.24 173.70 3i7f s ASN 322 N 1.89 4.30 0.00 2.44 -0.87 -1.26 -4.00 114.94 117.44 3i7f s ASN 322 Ca 0.07 -2.03 0.00 0.00 -1.57 0.00 0.00 52.86 49.33 3i7f s ASN 322 Cb -0.17 -1.23 0.00 0.00 -0.02 0.00 0.00 41.25 39.83 3i7f s ASN 322 CO -0.27 -0.37 0.00 0.35 -2.57 0.00 0.00 177.10 174.24 3i7f n THR 323 N 4.37 0.00 -1.99 1.60 -2.24 -1.26 -5.02 114.28 109.74 3i7f n THR 323 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3i7f n THR 323 Cb 0.41 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 3i7f n THR 323 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i7f n ARG 324 N -0.67 0.00 -0.16 -0.78 1.74 -1.26 -4.99 116.66 110.54 3i7f n ARG 324 Ca 0.00 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 3i7f n ARG 324 Cb 0.00 -0.04 0.00 0.00 -1.02 0.00 0.00 32.46 31.40 3i7f n ARG 324 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3i7f n ARG 325 N 0.00 0.00 -3.90 5.56 1.85 -1.26 -3.53 116.66 115.39 3i7f n ARG 325 Ca 0.00 -0.11 -0.11 0.00 -1.00 0.00 0.00 57.85 56.63 3i7f n ARG 325 Cb 0.52 -0.08 -0.12 0.00 -1.05 0.00 0.00 32.46 31.72 3i7f n ARG 325 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3i7f s HIS 326 N 0.00 0.06 0.10 2.89 3.76 -1.26 -4.88 115.29 115.95 3i7f s HIS 326 Ca 0.00 -0.12 -0.08 0.00 -0.15 0.00 0.00 55.06 54.70 3i7f s HIS 326 Cb 0.00 -0.06 -0.00 0.00 1.11 0.00 0.00 32.58 33.62 3i7f s HIS 326 CO 0.00 -0.15 0.20 -0.51 -0.85 0.00 0.00 174.74 173.42 3i7f s LEU 327 N -0.81 1.39 0.00 0.89 1.43 -1.26 -4.50 118.68 115.83 3i7f s LEU 327 Ca -0.09 -0.69 0.18 0.00 -1.03 0.00 0.00 54.13 52.50 3i7f s LEU 327 Cb -0.05 1.03 0.91 0.00 0.03 0.00 0.00 46.19 48.11 3i7f s LEU 327 CO 0.00 -0.74 1.61 0.35 0.23 0.00 0.00 176.35 177.79 3i7f n THR 328 N -0.08 0.08 -3.67 5.49 -2.24 -1.26 -4.54 114.28 108.06 3i7f n THR 328 Ca -0.14 -0.12 -0.09 0.00 -2.27 0.00 0.00 64.05 61.43 3i7f n THR 328 Cb 0.62 -0.06 -0.09 0.00 -2.10 0.00 0.00 70.33 68.71 3i7f n THR 328 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3i7f s GLU 329 N -1.92 0.48 0.27 -0.78 2.12 -1.26 -2.00 118.70 115.61 3i7f s GLU 329 Ca 0.27 0.97 -0.05 0.00 0.36 0.00 0.00 54.97 56.53 3i7f s GLU 329 Cb 0.13 0.11 -0.01 0.00 0.26 0.00 0.00 34.13 34.62 3i7f s GLU 329 CO 0.22 -0.17 0.37 -0.59 -0.54 0.00 0.00 175.26 174.55 3i7f s PHE 330 N 1.68 0.89 -0.27 5.30 -0.71 -0.49 -4.89 117.98 119.50 3i7f s PHE 330 Ca -0.09 -1.14 -0.11 0.00 -1.04 0.00 0.00 56.93 54.55 3i7f s PHE 330 Cb -0.08 -0.15 -0.05 0.00 -1.21 0.00 0.00 43.02 41.53 3i7f s PHE 330 CO -0.15 -0.94 0.19 -2.00 -1.34 0.00 0.00 175.22 170.97 3i7f s GLU 331 N -3.69 3.99 -0.12 1.99 2.56 -1.26 -0.08 118.70 122.09 3i7f s GLU 331 Ca 0.31 -0.29 -0.04 0.00 0.00 0.00 0.00 54.97 54.95 3i7f s GLU 331 Cb 0.02 -3.62 -0.03 0.00 2.00 0.00 0.00 34.13 32.49 3i7f s GLU 331 CO 0.15 -0.11 0.02 0.20 -0.56 0.00 0.00 175.26 174.96 3i7f s GLY 332 N 1.53 1.86 -0.33 -1.50 0.00 0.13 -1.03 107.32 107.99 3i7f s GLY 332 Ca 0.07 -0.78 -0.10 0.00 0.00 0.00 0.00 44.72 43.91 3i7f s GLY 332 CO 0.09 -0.36 0.16 1.08 0.00 0.00 0.00 173.10 174.07 3i7f s LEU 333 N -0.46 4.28 0.03 0.66 1.43 -0.27 -1.81 118.68 122.53 3i7f s LEU 333 Ca 0.09 -0.70 0.07 0.00 -1.03 0.00 0.00 54.13 52.56 3i7f s LEU 333 Cb -0.12 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 3i7f s LEU 333 CO 0.02 -0.26 -0.21 -1.81 0.23 0.00 0.00 176.35 174.33 3i7f s ASP 334 N 1.58 3.59 0.03 2.29 1.01 -0.20 -0.23 116.67 124.74 3i7f s ASP 334 Ca 0.03 -0.45 0.04 0.00 0.71 0.00 0.00 52.55 52.88 3i7f s ASP 334 Cb -0.18 -0.52 -0.02 0.00 1.01 0.00 0.00 42.92 43.21 3i7f s ASP 334 CO 0.06 0.27 -0.12 -0.63 0.21 0.00 0.00 175.17 174.96 3i7f s ILE 335 N -0.84 0.94 -0.13 0.77 1.01 -0.58 -1.07 121.20 121.29 3i7f s ILE 335 Ca 0.13 -0.92 -0.17 0.00 0.00 0.00 0.00 60.65 59.70 3i7f s ILE 335 Cb -0.10 -0.87 0.04 0.00 0.01 0.00 0.00 42.46 41.54 3i7f s ILE 335 CO 0.03 -0.04 0.44 -0.70 0.00 0.00 0.00 174.94 174.68 3i7f s GLU 336 N -1.08 0.59 0.02 2.79 2.56 -0.25 -0.06 118.70 123.27 3i7f s GLU 336 Ca -0.00 0.45 -0.23 0.00 0.00 0.00 0.00 54.97 55.20 3i7f s GLU 336 Cb -0.07 0.28 0.05 0.00 2.00 0.00 0.00 34.13 36.39 3i7f s GLU 336 CO 0.01 -0.10 0.51 0.00 -0.56 0.00 0.00 175.26 175.11 3i7f s MET 337 N -0.15 0.97 0.86 4.30 0.23 0.12 -0.86 119.30 124.78 3i7f s MET 337 Ca -0.03 -0.14 -0.10 0.00 -1.03 0.00 0.00 55.69 54.38 3i7f s MET 337 Cb -0.03 0.45 0.11 0.00 -1.53 0.00 0.00 34.83 33.83 3i7f s MET 337 CO 0.02 -0.33 1.13 -1.21 -2.03 0.00 0.00 175.02 172.60 3i7f s GLU 338 N -2.04 1.45 -0.05 3.16 2.02 0.49 -2.06 118.70 121.67 3i7f s GLU 338 Ca -0.08 1.43 -0.02 0.00 0.02 0.00 0.00 54.97 56.33 3i7f s GLU 338 Cb -0.01 -1.79 0.04 0.00 0.10 0.00 0.00 34.13 32.47 3i7f s GLU 338 CO 0.01 -2.29 0.10 0.42 0.02 0.00 0.00 175.26 173.52 3i7f s ILE 339 N -2.72 -0.09 0.00 -1.63 -1.09 -0.02 -4.79 121.20 110.87 3i7f s ILE 339 Ca 0.65 0.25 0.00 0.00 -2.23 0.00 0.00 60.65 59.32 3i7f s ILE 339 Cb -0.21 -0.18 0.00 0.00 -1.58 0.00 0.00 42.46 40.49 3i7f s ILE 339 CO 0.57 0.10 0.00 0.52 -1.23 0.00 0.00 174.94 174.90 3i7f n VAL 340 N 4.47 0.00 -0.06 2.92 0.31 -1.26 -4.42 118.33 120.30 3i7f n VAL 340 Ca -0.22 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 63.91 3i7f n VAL 340 Cb 0.51 -0.64 -0.13 0.00 -0.91 0.00 0.00 33.84 32.67 3i7f n VAL 340 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3i7f h GLU 341 N 0.00 0.10 -2.95 5.55 5.08 -1.99 -3.50 114.58 116.87 3i7f h GLU 341 Ca 0.00 -0.17 -0.13 0.00 -1.00 0.00 0.00 59.36 58.06 3i7f h GLU 341 Cb 0.00 0.06 -0.22 0.00 0.50 0.00 0.00 28.75 29.09 3i7f h GLU 341 CO 0.00 1.08 -0.29 1.21 -1.00 0.00 0.00 179.01 180.01 3i7f s ASN 342 N -6.87 -0.28 0.14 1.42 3.84 -1.26 -5.04 114.94 106.89 3i7f s ASN 342 Ca -0.25 0.41 0.18 0.00 0.21 0.00 0.00 52.86 53.42 3i7f s ASN 342 Cb 0.05 0.52 0.78 0.00 -0.55 0.00 0.00 41.25 42.05 3i7f s ASN 342 CO 0.67 -0.28 1.56 0.00 -2.79 0.00 0.00 177.10 176.26 3i7f n TYR 343 N 2.13 0.43 0.32 0.43 4.11 -1.26 -1.21 117.16 122.11 3i7f n TYR 343 Ca -0.17 0.18 0.13 0.00 -0.00 0.00 0.00 57.90 58.04 3i7f n TYR 343 Cb 0.57 -0.78 0.60 0.00 -0.00 0.00 0.00 39.34 39.73 3i7f n TYR 343 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 3i7f h HIS 344 N 0.00 0.00 -0.83 -3.48 3.86 -1.99 -0.86 115.15 111.85 3i7f h HIS 344 Ca 0.00 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.30 3i7f h HIS 344 Cb 0.26 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.68 3i7f h HIS 344 CO 0.00 0.00 0.54 0.93 0.86 0.00 0.00 177.93 180.26 3i7f h GLU 345 N 0.00 0.80 -0.15 2.45 5.08 -1.59 0.19 114.58 121.36 3i7f h GLU 345 Ca 0.00 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.11 3i7f h GLU 345 Cb 0.29 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3i7f h GLU 345 CO 0.00 0.53 -0.73 0.00 -1.00 0.00 0.00 179.01 177.81 3i7f h ILE 347 N 0.47 1.26 -0.86 0.00 1.08 -1.30 -2.81 117.51 115.35 3i7f h ILE 347 Ca -0.04 -0.87 0.02 0.00 -0.39 0.00 0.00 64.86 63.58 3i7f h ILE 347 Cb 1.34 0.45 -0.05 0.00 -3.07 0.00 0.00 36.82 35.49 3i7f h ILE 347 CO 0.14 0.34 0.57 0.44 -0.69 0.00 0.00 178.15 178.96 3i7f h ASP 348 N 1.07 0.96 -0.43 1.72 3.32 -0.56 -1.53 116.42 120.97 3i7f h ASP 348 Ca 0.24 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.14 3i7f h ASP 348 Cb 0.28 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3i7f h ASP 348 CO -0.01 0.68 -0.22 0.58 -1.72 0.00 0.00 179.24 178.55 3i7f h VAL 349 N 1.13 1.27 -0.30 -1.35 2.07 -1.26 -2.65 116.25 115.16 3i7f h VAL 349 Ca 0.33 -1.38 0.04 0.00 0.82 0.00 0.00 66.70 66.51 3i7f h VAL 349 Cb -0.07 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3i7f h VAL 349 CO -0.08 0.47 0.06 0.24 0.02 0.00 0.00 177.57 178.28 3i7f h MET 350 N 0.82 0.17 0.01 1.57 2.86 -1.20 0.38 114.93 119.53 3i7f h MET 350 Ca 0.11 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3i7f h MET 350 Cb 0.79 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 3i7f h MET 350 CO 0.07 0.11 -0.03 1.49 1.06 0.00 0.00 176.91 179.61 3i7f h GLU 351 N 0.18 -0.05 -0.48 1.72 4.81 -1.17 0.36 114.58 119.94 3i7f h GLU 351 Ca 0.14 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.43 3i7f h GLU 351 Cb 0.14 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.48 3i7f h GLU 351 CO -0.18 -0.04 0.19 0.87 -0.73 0.00 0.00 179.01 179.13 3i7f h LYS 352 N -0.06 0.37 -0.01 1.92 1.57 -1.37 -0.49 116.57 118.50 3i7f h LYS 352 Ca 0.01 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3i7f h LYS 352 Cb 0.07 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3i7f h LYS 352 CO -0.03 0.24 -0.02 1.25 -0.57 0.00 0.00 179.45 180.33 3i7f h LEU 353 N 0.38 -0.05 -0.34 2.94 5.85 0.94 -1.60 115.31 123.42 3i7f h LEU 353 Ca 0.23 0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.76 3i7f h LEU 353 Cb 0.21 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 3i7f h LEU 353 CO -0.21 -0.03 -0.73 -0.26 -0.34 0.00 0.00 178.44 176.87 3i7f h PHE 354 N -0.02 0.71 -0.28 1.25 0.04 -0.18 -2.26 116.94 116.20 3i7f h PHE 354 Ca 0.01 -0.31 -0.04 0.00 2.80 0.00 0.00 57.97 60.44 3i7f h PHE 354 Cb 0.04 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 3i7f h PHE 354 CO -0.10 1.08 0.01 1.15 -0.60 0.00 0.00 178.31 179.85 3i7f h THR 355 N 0.36 1.17 0.10 -1.55 2.02 -0.94 0.22 112.91 114.28 3i7f h THR 355 Ca -0.03 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 3i7f h THR 355 Cb 1.32 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 3i7f h THR 355 CO 0.13 0.22 -0.05 0.15 0.37 0.00 0.00 175.52 176.34 3i7f h PHE 356 N 0.41 -0.12 -0.45 3.16 3.57 -1.03 0.33 116.94 122.80 3i7f h PHE 356 Ca 0.09 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.66 3i7f h PHE 356 Cb 0.26 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.98 3i7f h PHE 356 CO 0.01 0.20 0.09 0.82 -2.23 0.00 0.00 178.31 177.20 3i7f h ILE 357 N -0.45 0.76 -0.08 1.41 2.04 -0.82 -0.68 117.51 119.69 3i7f h ILE 357 Ca -0.01 -0.08 -0.14 0.00 1.00 0.00 0.00 64.86 65.63 3i7f h ILE 357 Cb 0.37 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3i7f h ILE 357 CO 0.02 0.04 -0.56 -0.26 0.00 0.00 0.00 178.15 177.40 3i7f h PHE 358 N 0.23 0.32 -0.10 1.37 0.04 -0.41 -1.75 116.94 116.63 3i7f h PHE 358 Ca 0.22 -0.11 -0.05 0.00 2.80 0.00 0.00 57.97 60.83 3i7f h PHE 358 Cb 0.28 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.37 3i7f h PHE 358 CO -0.21 0.75 -0.11 -0.44 -0.60 0.00 0.00 178.31 177.70 3i7f h ASP 359 N 0.19 0.27 0.24 2.17 3.32 0.02 -3.35 116.42 119.29 3i7f h ASP 359 Ca 0.00 -0.50 -0.18 0.00 0.02 0.00 0.00 57.03 56.37 3i7f h ASP 359 Cb 1.04 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 3i7f h ASP 359 CO 0.09 0.72 -0.71 -0.33 -1.72 0.00 0.00 179.24 177.28 3i7f h GLU 360 N -0.17 0.41 -0.33 3.56 4.39 -1.08 -3.31 114.58 118.05 3i7f h GLU 360 Ca 0.01 -0.33 0.07 0.00 0.34 0.00 0.00 59.36 59.45 3i7f h GLU 360 Cb 0.64 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.30 3i7f h GLU 360 CO 0.03 0.97 -0.09 0.82 -1.16 0.00 0.00 179.01 179.57 3i7f h ILE 361 N 0.29 0.65 -0.18 3.13 2.04 -1.45 -1.00 117.51 120.99 3i7f h ILE 361 Ca -0.03 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 3i7f h ILE 361 Cb 1.29 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 3i7f h ILE 361 CO 0.12 0.00 -0.25 -0.65 0.00 0.00 0.00 178.15 177.37 3i7f h PRO 362 N -0.01 0.34 -0.77 2.37 0.11 -1.75 -0.23 132.00 132.05 3i7f h PRO 362 Ca 0.16 -0.12 -0.04 0.00 0.11 0.00 0.00 66.00 66.11 3i7f h PRO 362 Cb 0.26 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 3i7f h PRO 362 CO -0.35 0.57 0.32 0.87 -0.21 0.00 0.00 178.00 179.20 3i7f h LYS 363 N 0.30 1.15 0.00 1.05 1.57 -1.45 -3.07 116.57 116.13 3i7f h LYS 363 Ca 0.05 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3i7f h LYS 363 Cb 0.61 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3i7f h LYS 363 CO 0.04 0.92 -1.69 0.54 -0.57 0.00 0.00 179.45 178.70 3i7f n ARG 364 N -4.28 0.46 -2.65 3.15 1.74 -0.45 -4.54 116.66 110.08 3i7f n ARG 364 Ca 0.07 -0.14 -0.11 0.00 -0.77 0.00 0.00 57.85 56.90 3i7f n ARG 364 Cb 0.18 -1.51 0.03 0.00 -1.02 0.00 0.00 32.46 30.13 3i7f n ARG 364 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3i7f n PHE 365 N -2.02 1.37 -0.17 -1.55 3.72 -0.12 -4.96 117.46 113.72 3i7f n PHE 365 Ca -0.02 -2.84 -0.04 0.00 -0.05 0.00 0.00 57.45 54.51 3i7f n PHE 365 Cb 0.50 -0.35 0.06 0.00 -0.94 0.00 0.00 39.48 38.74 3i7f n PHE 365 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3i7f h PRO 366 N 2.96 0.48 -0.77 -1.08 0.13 -1.72 -2.73 132.00 129.26 3i7f h PRO 366 Ca -0.06 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.02 3i7f h PRO 366 Cb 1.15 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.14 3i7f h PRO 366 CO 0.54 0.32 0.39 -0.44 -0.23 0.00 0.00 178.00 178.57 3i7f h ASP 367 N 0.50 0.99 -0.27 1.44 3.32 -1.92 -1.65 116.42 118.82 3i7f h ASP 367 Ca 0.24 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3i7f h ASP 367 Cb 0.17 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3i7f h ASP 367 CO -0.18 0.84 0.12 -0.33 -1.72 0.00 0.00 179.24 177.97 3i7f h GLU 368 N 1.08 0.39 -0.58 3.56 3.07 -1.90 -0.31 114.58 119.89 3i7f h GLU 368 Ca 0.27 -0.06 0.10 0.00 -0.50 0.00 0.00 59.36 59.16 3i7f h GLU 368 Cb 0.09 -0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 27.86 3i7f h GLU 368 CO -0.04 0.40 0.18 -0.07 -1.40 0.00 0.00 179.01 178.08 3i7f h LEU 369 N 0.29 0.13 -0.42 1.33 3.38 -1.37 -1.40 115.31 117.25 3i7f h LEU 369 Ca 0.09 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.20 3i7f h LEU 369 Cb 0.14 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 3i7f h LEU 369 CO -0.01 0.08 0.12 0.11 0.09 0.00 0.00 178.44 178.84 3i7f h LYS 370 N 0.34 0.27 -0.33 1.13 1.79 -0.51 -2.03 116.57 117.22 3i7f h LYS 370 Ca 0.29 -0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.65 3i7f h LYS 370 Cb 0.39 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 3i7f h LYS 370 CO -0.33 0.18 -0.21 0.28 -1.08 0.00 0.00 179.45 178.28 3i7f h VAL 371 N 0.27 1.26 -0.29 0.50 2.07 -0.53 -2.90 116.25 116.64 3i7f h VAL 371 Ca 0.20 -1.26 -0.17 0.00 0.82 0.00 0.00 66.70 66.28 3i7f h VAL 371 Cb 0.21 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3i7f h VAL 371 CO -0.22 0.41 -0.49 0.40 0.02 0.00 0.00 177.57 177.69 3i7f h ILE 372 N 0.56 1.28 0.00 4.57 2.04 -1.02 -3.18 117.51 121.76 3i7f h ILE 372 Ca 0.08 -1.68 -0.06 0.00 1.00 0.00 0.00 64.86 64.20 3i7f h ILE 372 Cb 0.67 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 3i7f h ILE 372 CO 0.05 0.55 -0.29 -0.09 0.00 0.00 0.00 178.15 178.37 3i7f h ARG 373 N 0.63 0.00 -0.38 2.37 2.43 -1.16 0.05 114.38 118.32 3i7f h ARG 373 Ca 0.03 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 3i7f h ARG 373 Cb 1.07 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 3i7f h ARG 373 CO 0.11 0.29 0.05 0.87 -1.51 0.00 0.00 179.97 179.78 3i7f h LYS 374 N 0.00 0.63 -0.04 0.20 1.57 -1.52 -2.86 116.57 114.54 3i7f h LYS 374 Ca -0.00 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 3i7f h LYS 374 Cb 0.55 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3i7f h LYS 374 CO 0.04 0.69 -0.08 1.96 -0.57 0.00 0.00 179.45 181.49 3i7f h GLN 375 N 0.47 0.13 -2.77 3.15 1.08 -1.52 -3.42 115.11 112.22 3i7f h GLN 375 Ca 0.11 -0.08 -0.60 0.00 -1.45 0.00 0.00 58.65 56.63 3i7f h GLN 375 Cb 0.38 0.01 -0.40 0.00 -0.05 0.00 0.00 27.48 27.42 3i7f h GLN 375 CO 0.01 0.66 -0.79 0.71 -0.95 0.00 0.00 178.83 178.47 3i7f s TYR 376 N -3.96 1.89 0.41 2.96 4.12 -0.03 -4.16 117.35 118.58 3i7f s TYR 376 Ca -0.16 -2.49 -0.26 0.00 0.02 0.00 0.00 57.07 54.18 3i7f s TYR 376 Cb 0.02 -1.65 -0.10 0.00 -1.52 0.00 0.00 41.96 38.71 3i7f s TYR 376 CO 0.71 -0.75 1.29 -2.30 0.02 0.00 0.00 175.55 174.52 3i7f n PRO 377 N 3.07 2.01 -3.52 -1.71 -0.02 -1.08 -4.41 135.00 129.33 3i7f n PRO 377 Ca 0.18 0.71 -0.14 0.00 -2.02 0.00 0.00 63.50 62.22 3i7f n PRO 377 Cb 0.39 -2.40 -0.05 0.00 -0.02 0.00 0.00 33.50 31.42 3i7f n PRO 377 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3i7f s PHE 378 N -1.18 -0.54 0.10 6.00 -0.12 -1.26 -5.01 117.98 115.97 3i7f s PHE 378 Ca 0.60 0.82 -0.03 0.00 -0.05 0.00 0.00 56.93 58.27 3i7f s PHE 378 Cb -0.51 0.45 -0.05 0.00 -0.63 0.00 0.00 43.02 42.28 3i7f s PHE 378 CO 0.59 -0.56 0.31 -1.83 -0.05 0.00 0.00 175.22 173.68 3i7f s GLU 379 N -1.63 3.56 0.29 1.99 -1.05 -1.26 -5.00 118.70 115.60 3i7f s GLU 379 Ca -0.06 -0.20 -0.30 0.00 -0.15 0.00 0.00 54.97 54.27 3i7f s GLU 379 Cb -0.00 -2.93 -0.13 0.00 -0.44 0.00 0.00 34.13 30.63 3i7f s GLU 379 CO 0.03 0.53 1.40 -0.25 0.95 0.00 0.00 175.26 177.92 3i7f n ASP 380 N 0.24 2.98 -4.70 0.83 8.00 -1.26 -4.87 116.55 117.78 3i7f n ASP 380 Ca -0.04 1.17 -0.44 0.00 0.71 0.00 0.00 54.79 56.20 3i7f n ASP 380 Cb 0.52 -1.48 -0.02 0.00 -0.02 0.00 0.00 41.12 40.11 3i7f n ASP 380 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3i7f n LEU 381 N 1.57 3.58 -4.58 0.64 7.94 -1.26 -4.97 117.00 119.92 3i7f n LEU 381 Ca 0.08 1.14 -0.39 0.00 -1.11 0.00 0.00 56.01 55.73 3i7f n LEU 381 Cb 0.34 -1.49 -0.10 0.00 0.53 0.00 0.00 43.42 42.70 3i7f n LEU 381 CO 0.63 -0.24 -0.06 -0.63 -1.11 0.00 0.00 177.39 175.98 3i7f s ILE 382 N 0.01 5.24 0.00 1.96 1.01 -1.26 -4.95 121.20 123.21 3i7f s ILE 382 Ca 0.67 0.25 0.00 0.00 0.00 0.00 0.00 60.65 61.57 3i7f s ILE 382 Cb -0.59 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.23 3i7f s ILE 382 CO 0.49 0.14 0.41 0.00 0.00 0.00 0.00 174.94 175.98 3i7f n TYR 383 N 5.20 0.00 -4.95 3.97 4.11 -1.26 -0.64 117.16 123.60 3i7f n TYR 383 Ca -0.11 -0.04 -0.32 0.00 -0.00 0.00 0.00 57.90 57.43 3i7f n TYR 383 Cb 0.51 -0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.69 3i7f n TYR 383 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 3i7f s ARG 384 N -0.07 3.15 0.64 -3.48 0.52 -1.26 -3.48 118.95 114.97 3i7f s ARG 384 Ca 0.00 -0.81 -0.14 0.00 -0.52 0.00 0.00 55.73 54.26 3i7f s ARG 384 Cb 0.00 -2.44 -0.02 0.00 0.52 0.00 0.00 34.95 33.01 3i7f s ARG 384 CO 0.00 0.14 1.07 -1.25 0.02 0.00 0.00 175.30 175.28 3i7f s PRO 385 N 0.46 3.09 -0.55 3.54 0.04 -1.26 -4.82 135.00 135.50 3i7f s PRO 385 Ca -0.14 1.18 -0.25 0.00 0.04 0.00 0.00 61.00 61.82 3i7f s PRO 385 Cb -0.17 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.41 3i7f s PRO 385 CO 0.06 -0.99 1.02 0.12 0.04 0.00 0.00 177.00 177.24 3i7f s PHE 386 N -2.59 2.75 0.16 0.56 5.99 -1.23 -4.69 117.98 118.93 3i7f s PHE 386 Ca 0.63 0.15 -0.26 0.00 0.00 0.00 0.00 56.93 57.45 3i7f s PHE 386 Cb -0.16 -4.20 -0.08 0.00 0.00 0.00 0.00 43.02 38.58 3i7f s PHE 386 CO 0.43 -1.40 0.79 -1.17 -0.00 0.00 0.00 175.22 173.87 3i7f s LEU 387 N 4.24 4.59 -0.24 6.12 2.96 -1.12 -4.93 118.68 130.29 3i7f s LEU 387 Ca 0.35 1.66 -0.01 0.00 -0.22 0.00 0.00 54.13 55.91 3i7f s LEU 387 Cb -0.11 -3.32 0.03 0.00 0.50 0.00 0.00 46.19 43.29 3i7f s LEU 387 CO 0.22 0.19 -0.08 -0.13 -1.32 0.00 0.00 176.35 175.22 3i7f s ARG 388 N -1.05 2.73 0.37 1.98 0.52 -1.26 -0.54 118.95 121.70 3i7f s ARG 388 Ca 0.37 -1.04 0.08 0.00 -0.52 0.00 0.00 55.73 54.62 3i7f s ARG 388 Cb -0.23 -2.93 -0.05 0.00 0.52 0.00 0.00 34.95 32.26 3i7f s ARG 388 CO 0.27 -0.42 0.09 -0.51 0.02 0.00 0.00 175.30 174.75 3i7f s LEU 389 N 1.28 3.06 0.28 2.53 1.43 -0.78 -5.01 118.68 121.48 3i7f s LEU 389 Ca -0.01 -1.01 0.06 0.00 -1.03 0.00 0.00 54.13 52.14 3i7f s LEU 389 Cb -0.17 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 3i7f s LEU 389 CO -0.05 -0.36 0.35 0.42 0.23 0.00 0.00 176.35 176.93 3i7f s THR 390 N -2.54 4.57 0.19 5.49 -4.23 -1.26 -0.50 115.64 117.36 3i7f s THR 390 Ca 0.37 -1.12 -0.12 0.00 -1.18 0.00 0.00 61.69 59.65 3i7f s THR 390 Cb 0.02 -3.57 0.10 0.00 1.34 0.00 0.00 72.50 70.39 3i7f s THR 390 CO 0.21 -0.27 1.80 0.22 -0.54 0.00 0.00 174.62 176.04 3i7f h TYR 391 N 1.17 0.59 -0.51 3.99 3.20 -0.50 -1.14 116.97 123.77 3i7f h TYR 391 Ca -0.49 0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.51 3i7f h TYR 391 Cb 1.24 -0.18 -0.10 0.00 1.54 0.00 0.00 36.73 39.23 3i7f h TYR 391 CO 0.47 0.30 -0.17 0.87 -1.64 0.00 0.00 178.16 177.99 3i7f h LYS 392 N 0.61 -0.05 -0.76 1.82 1.57 -1.84 0.89 116.57 118.81 3i7f h LYS 392 Ca 0.25 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.00 3i7f h LYS 392 Cb 0.12 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 3i7f h LYS 392 CO -0.15 -0.04 0.33 0.93 -0.57 0.00 0.00 179.45 179.95 3i7f h GLU 393 N -0.06 1.10 -0.20 3.15 5.08 -1.79 -0.63 114.58 121.23 3i7f h GLU 393 Ca 0.24 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3i7f h GLU 393 Cb 0.43 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3i7f h GLU 393 CO -0.55 0.87 0.06 0.00 -1.00 0.00 0.00 179.01 178.39 3i7f h ALA 394 N 1.27 0.26 -0.92 3.43 0.00 -0.23 -0.24 119.26 122.84 3i7f h ALA 394 Ca 0.26 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3i7f h ALA 394 Cb 0.16 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 3i7f h ALA 394 CO -0.03 -0.11 0.58 0.82 0.00 0.00 0.00 179.25 180.51 3i7f h ILE 395 N 0.15 1.07 -0.54 0.00 1.08 -0.56 -1.39 117.51 117.32 3i7f h ILE 395 Ca 0.06 -0.37 0.01 0.00 -0.39 0.00 0.00 64.86 64.18 3i7f h ILE 395 Cb 0.23 -0.09 -0.03 0.00 -3.07 0.00 0.00 36.82 33.86 3i7f h ILE 395 CO -0.00 0.20 0.35 -0.08 -0.69 0.00 0.00 178.15 177.92 3i7f h GLU 396 N 1.07 0.68 -0.21 2.37 4.81 -0.59 0.13 114.58 122.84 3i7f h GLU 396 Ca 0.39 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.57 3i7f h GLU 396 Cb 0.15 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3i7f h GLU 396 CO -0.17 0.45 0.07 0.52 -0.73 0.00 0.00 179.01 179.16 3i7f h MET 397 N 0.70 0.32 -0.40 1.92 2.86 -0.34 -1.32 114.93 118.66 3i7f h MET 397 Ca 0.21 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.72 3i7f h MET 397 Cb -0.04 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 3i7f h MET 397 CO -0.06 0.40 -0.00 -0.07 1.06 0.00 0.00 176.91 178.24 3i7f h LEU 398 N 0.17 0.69 -0.65 1.22 3.38 -0.97 -0.82 115.31 118.34 3i7f h LEU 398 Ca 0.07 -0.31 0.09 0.00 0.09 0.00 0.00 57.88 57.81 3i7f h LEU 398 Cb 0.21 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 3i7f h LEU 398 CO -0.00 0.84 0.29 0.03 0.09 0.00 0.00 178.44 179.69 3i7f h ARG 399 N 0.53 0.50 0.00 1.13 3.08 -1.00 -0.43 114.38 118.20 3i7f h ARG 399 Ca 0.11 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3i7f h ARG 399 Cb 0.48 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 3i7f h ARG 399 CO 0.02 0.33 -0.13 0.00 -1.07 0.00 0.00 179.97 179.12 3i7f h ALA 400 N 1.40 1.25 -0.00 0.04 0.00 -0.53 0.48 119.26 121.90 3i7f h ALA 400 Ca 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3i7f h ALA 400 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3i7f h ALA 400 CO -0.27 0.17 -0.01 -1.13 0.00 0.00 0.00 179.25 178.01 3i7f n SER 401 N -3.61 0.13 0.00 0.00 3.41 -0.30 -4.90 113.62 108.35 3i7f n SER 401 Ca -0.02 -0.70 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 3i7f n SER 401 Cb 0.26 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3i7f n SER 401 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i7f n GLY 402 N 1.13 0.49 3.79 5.00 0.00 0.16 -5.06 105.19 110.70 3i7f n GLY 402 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 3i7f n GLY 402 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7f s GLU 403 N -0.71 4.18 -0.20 1.61 0.41 -0.44 -4.95 118.70 118.60 3i7f s GLU 403 Ca 0.00 1.42 -0.06 0.00 -0.41 0.00 0.00 54.97 55.92 3i7f s GLU 403 Cb 0.00 -2.47 -0.03 0.00 -1.78 0.00 0.00 34.13 29.85 3i7f s GLU 403 CO 0.00 -0.11 0.03 0.95 -0.49 0.00 0.00 175.26 175.64 3i7f s THR 404 N -1.76 4.25 0.00 3.63 -4.23 -1.26 -3.94 115.64 112.33 3i7f s THR 404 Ca 0.58 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.88 3i7f s THR 404 Cb -0.19 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.72 3i7f s THR 404 CO 0.24 0.42 0.00 0.00 -0.54 0.00 0.00 174.62 174.74 3i7f n ILE 405 N 4.18 0.00 -0.18 2.99 3.06 -1.26 -5.09 119.36 123.06 3i7f n ILE 405 Ca -0.17 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.08 3i7f n ILE 405 Cb 0.52 -0.13 0.00 0.00 0.54 0.00 0.00 39.64 40.57 3i7f n ILE 405 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3i7f n GLY 406 N 1.20 -3.24 0.36 4.50 0.00 -1.26 -4.47 105.19 102.29 3i7f n GLY 406 Ca 0.00 -1.07 0.07 0.00 0.00 0.00 0.00 46.02 45.02 3i7f n GLY 406 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i7f h ASP 407 N 0.21 0.80 -0.21 1.61 3.45 -2.02 -2.96 116.42 117.31 3i7f h ASP 407 Ca 0.00 0.02 -0.04 0.00 0.43 0.00 0.00 57.03 57.44 3i7f h ASP 407 Cb 0.00 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.60 3i7f h ASP 407 CO 0.00 0.48 -0.03 -1.22 -1.57 0.00 0.00 179.24 176.89 3i7f n TYR 408 N -4.52 0.73 -3.01 4.55 4.01 -1.26 -4.90 117.16 112.76 3i7f n TYR 408 Ca 0.15 -1.08 -0.39 0.00 -0.16 0.00 0.00 57.90 56.41 3i7f n TYR 408 Cb 0.30 -0.31 -0.06 0.00 -0.31 0.00 0.00 39.34 38.96 3i7f n TYR 408 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3i7f s ASP 409 N -2.32 7.29 0.73 7.72 1.11 -1.12 -4.72 116.67 125.36 3i7f s ASP 409 Ca 0.40 1.54 -0.16 0.00 0.18 0.00 0.00 52.55 54.51 3i7f s ASP 409 Cb 0.34 -2.47 0.02 0.00 1.07 0.00 0.00 42.92 41.88 3i7f s ASP 409 CO 0.05 0.14 1.11 -0.67 1.18 0.00 0.00 175.17 176.98 3i7f n ASP 410 N 2.06 1.02 -4.82 0.27 2.03 -1.26 -4.99 116.55 110.86 3i7f n ASP 410 Ca -0.05 0.69 -0.38 0.00 0.52 0.00 0.00 54.79 55.57 3i7f n ASP 410 Cb 0.49 -1.47 -0.06 0.00 -0.72 0.00 0.00 41.12 39.36 3i7f n ASP 410 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3i7f s PHE 411 N -1.79 3.72 0.87 -0.67 0.08 -1.26 -5.08 117.98 113.86 3i7f s PHE 411 Ca 0.76 1.04 -0.11 0.00 0.12 0.00 0.00 56.93 58.74 3i7f s PHE 411 Cb -0.34 -2.37 0.11 0.00 -0.57 0.00 0.00 43.02 39.85 3i7f s PHE 411 CO 0.48 0.58 1.09 0.95 -0.10 0.00 0.00 175.22 178.22 3i7f s THR 412 N -0.88 2.81 0.09 0.64 -4.23 -1.26 -4.87 115.64 107.93 3i7f s THR 412 Ca 0.25 0.26 -0.19 0.00 -1.18 0.00 0.00 61.69 60.84 3i7f s THR 412 Cb -0.17 -2.71 -0.08 0.00 1.34 0.00 0.00 72.50 70.87 3i7f s THR 412 CO 0.14 -0.34 1.54 0.74 -0.54 0.00 0.00 174.62 176.16 3i7f h THR 413 N -1.47 1.24 -0.98 3.99 2.02 -2.00 -2.37 112.91 113.34 3i7f h THR 413 Ca -0.48 -0.81 0.23 0.00 0.77 0.00 0.00 66.41 66.13 3i7f h THR 413 Cb 1.27 1.31 -0.08 0.00 -1.74 0.00 0.00 68.15 68.90 3i7f h THR 413 CO 0.53 0.25 0.64 -0.65 0.37 0.00 0.00 175.52 176.66 3i7f h PRO 414 N 0.20 0.43 -0.23 6.66 0.11 -1.99 -0.86 132.00 136.31 3i7f h PRO 414 Ca 0.07 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.05 3i7f h PRO 414 Cb 0.35 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 3i7f h PRO 414 CO 0.01 0.29 -0.32 1.96 -0.21 0.00 0.00 178.00 179.73 3i7f h GLN 415 N 0.45 0.48 -0.25 1.05 4.20 -1.79 -1.11 115.11 118.13 3i7f h GLN 415 Ca 0.54 -0.20 -0.08 0.00 0.06 0.00 0.00 58.65 58.96 3i7f h GLN 415 Cb 1.30 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.05 3i7f h GLN 415 CO -0.25 0.74 -0.16 0.93 -0.67 0.00 0.00 178.83 179.42 3i7f h GLU 416 N 0.41 0.55 -0.69 1.46 5.08 -0.91 -0.49 114.58 120.00 3i7f h GLU 416 Ca 0.05 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 3i7f h GLU 416 Cb 0.76 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 3i7f h GLU 416 CO 0.06 0.83 0.25 0.28 -1.00 0.00 0.00 179.01 179.44 3i7f h VAL 417 N 0.27 1.24 -0.03 3.13 2.07 -1.31 0.42 116.25 122.04 3i7f h VAL 417 Ca 0.05 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 3i7f h VAL 417 Cb 0.69 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3i7f h VAL 417 CO 0.05 0.31 0.01 0.50 0.02 0.00 0.00 177.57 178.46 3i7f h LYS 418 N 1.01 0.05 -0.48 1.57 1.63 -1.02 -1.29 116.57 118.04 3i7f h LYS 418 Ca 0.23 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 60.04 3i7f h LYS 418 Cb 0.23 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.82 3i7f h LYS 418 CO -0.02 0.17 0.32 1.25 -3.45 0.00 0.00 179.45 177.72 3i7f h LEU 419 N -0.08 0.50 -0.34 5.20 5.85 -0.79 0.31 115.31 125.95 3i7f h LEU 419 Ca 0.01 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3i7f h LEU 419 Cb 0.14 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3i7f h LEU 419 CO -0.00 0.35 0.11 1.23 -0.34 0.00 0.00 178.44 179.79 3i7f h GLY 420 N 0.58 0.42 1.12 3.75 0.00 -0.34 -0.43 103.07 108.18 3i7f h GLY 420 Ca 0.18 -0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.39 3i7f h GLY 420 CO -0.04 0.02 0.20 0.83 0.00 0.00 0.00 176.54 177.55 3i7f h GLU 421 N 0.25 1.09 -0.29 4.80 5.08 0.12 0.13 114.58 125.77 3i7f h GLU 421 Ca 0.15 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3i7f h GLU 421 Cb 0.13 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3i7f h GLU 421 CO -0.16 0.94 0.18 -0.07 -1.00 0.00 0.00 179.01 178.90 3i7f h LEU 422 N 1.04 0.34 -0.52 1.33 3.38 -0.71 -2.06 115.31 118.11 3i7f h LEU 422 Ca 0.22 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 3i7f h LEU 422 Cb 0.32 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3i7f h LEU 422 CO -0.00 0.28 -0.16 0.40 0.09 0.00 0.00 178.44 179.05 3i7f h ILE 423 N 0.38 1.27 -0.72 1.22 2.04 -0.67 -2.31 117.51 118.71 3i7f h ILE 423 Ca 0.10 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.64 3i7f h ILE 423 Cb -0.01 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 3i7f h ILE 423 CO -0.02 0.46 0.46 0.50 0.00 0.00 0.00 178.15 179.56 3i7f h LYS 424 N 0.90 0.96 -0.41 2.37 1.63 -0.83 -0.31 116.57 120.87 3i7f h LYS 424 Ca 0.13 -0.07 -0.13 0.00 -0.85 0.00 0.00 60.65 59.74 3i7f h LYS 424 Cb 0.74 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 3i7f h LYS 424 CO 0.06 0.65 -0.25 0.00 -3.45 0.00 0.00 179.45 176.46 3i7f h ALA 425 N 1.25 0.79 0.01 5.00 0.00 -1.17 0.43 119.26 125.58 3i7f h ALA 425 Ca 0.26 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 3i7f h ALA 425 Cb -0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3i7f h ALA 425 CO -0.05 0.65 -0.63 -0.22 0.00 0.00 0.00 179.25 179.00 3i7f h LYS 426 N 0.73 0.03 0.00 0.00 3.64 -1.19 -3.40 116.57 116.38 3i7f h LYS 426 Ca 0.09 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3i7f h LYS 426 Cb 0.79 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 3i7f h LYS 426 CO 0.07 1.02 -1.00 0.66 -2.27 0.00 0.00 179.45 177.93 3i7f n TYR 427 N -4.47 0.00 -3.56 1.91 4.01 -0.15 -5.03 117.16 109.88 3i7f n TYR 427 Ca -0.20 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.33 3i7f n TYR 427 Cb 0.60 -0.10 0.05 0.00 -0.31 0.00 0.00 39.34 39.59 3i7f n TYR 427 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3i7f n ASN 428 N -1.55 -2.91 -4.21 7.72 5.15 0.14 -4.79 115.26 114.80 3i7f n ASN 428 Ca 0.01 -0.79 -0.15 0.00 -0.60 0.00 0.00 54.58 53.06 3i7f n ASN 428 Cb 0.29 -4.38 -0.11 0.00 -0.53 0.00 0.00 39.78 35.05 3i7f n ASN 428 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3i7f s THR 429 N -3.53 1.08 -1.40 -0.44 -1.32 -1.26 -4.76 115.64 104.00 3i7f s THR 429 Ca 0.15 -1.82 0.15 0.00 -1.21 0.00 0.00 61.69 58.96 3i7f s THR 429 Cb -0.03 -1.58 0.36 0.00 -1.51 0.00 0.00 72.50 69.74 3i7f s THR 429 CO 0.79 -0.62 1.28 0.47 -2.21 0.00 0.00 174.62 174.33 3i7f n ASP 430 N 0.25 3.09 -3.76 8.08 8.00 0.19 -4.00 116.55 128.39 3i7f n ASP 430 Ca -0.14 -1.93 -0.25 0.00 0.71 0.00 0.00 54.79 53.18 3i7f n ASP 430 Cb 0.59 -0.26 -0.17 0.00 -0.02 0.00 0.00 41.12 41.26 3i7f n ASP 430 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3i7f s PHE 431 N -1.05 0.89 0.32 1.24 5.36 -1.23 -1.76 117.98 121.74 3i7f s PHE 431 Ca 0.29 -0.52 -0.03 0.00 -0.96 0.00 0.00 56.93 55.71 3i7f s PHE 431 Cb 0.16 -0.93 -0.01 0.00 -0.34 0.00 0.00 43.02 41.90 3i7f s PHE 431 CO 0.21 -0.47 0.43 1.52 -1.46 0.00 0.00 175.22 175.45 3i7f s TYR 432 N 1.90 1.06 -0.05 10.12 1.13 -1.01 -2.80 117.35 127.70 3i7f s TYR 432 Ca 0.02 -1.27 0.01 0.00 -1.41 0.00 0.00 57.07 54.42 3i7f s TYR 432 Cb -0.14 -0.16 0.02 0.00 -1.10 0.00 0.00 41.96 40.58 3i7f s TYR 432 CO -0.07 -1.05 -0.06 -1.50 -2.51 0.00 0.00 175.55 170.36 3i7f s ILE 433 N -3.30 0.71 -0.28 -3.49 2.07 0.30 -1.53 121.20 115.67 3i7f s ILE 433 Ca 0.31 -0.21 -0.13 0.00 -1.41 0.00 0.00 60.65 59.21 3i7f s ILE 433 Cb 0.00 -0.71 -0.04 0.00 0.13 0.00 0.00 42.46 41.85 3i7f s ILE 433 CO 0.19 0.27 0.30 -0.76 -1.91 0.00 0.00 174.94 173.03 3i7f s LEU 434 N 0.95 4.09 0.29 8.50 1.02 0.33 -1.86 118.68 132.01 3i7f s LEU 434 Ca -0.10 0.10 0.07 0.00 0.02 0.00 0.00 54.13 54.23 3i7f s LEU 434 Cb -0.14 -2.30 -0.03 0.00 0.02 0.00 0.00 46.19 43.73 3i7f s LEU 434 CO 0.00 -0.16 0.21 -0.62 0.02 0.00 0.00 176.35 175.81 3i7f s ASP 435 N 1.70 5.29 -0.98 2.29 2.15 0.34 -1.25 116.67 126.22 3i7f s ASP 435 Ca 0.12 -0.41 -0.03 0.00 0.43 0.00 0.00 52.55 52.65 3i7f s ASP 435 Cb -0.16 -1.16 -0.04 0.00 -0.30 0.00 0.00 42.92 41.26 3i7f s ASP 435 CO 0.11 -0.16 0.84 0.29 -0.17 0.00 0.00 175.17 176.08 3i7f n LYS 436 N -1.22 -3.34 -1.81 4.34 4.76 0.06 0.10 118.16 121.05 3i7f n LYS 436 Ca -0.05 0.77 -0.33 0.00 -2.87 0.00 0.00 58.31 55.83 3i7f n LYS 436 Cb 0.59 -5.40 0.04 0.00 -1.84 0.00 0.00 35.03 28.41 3i7f n LYS 436 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3i7f s PHE 437 N -3.34 2.81 0.14 2.13 0.40 -1.20 -4.14 117.98 114.78 3i7f s PHE 437 Ca 0.27 1.52 -0.34 0.00 -0.60 0.00 0.00 56.93 57.78 3i7f s PHE 437 Cb -0.03 -3.07 -0.14 0.00 0.51 0.00 0.00 43.02 40.29 3i7f s PHE 437 CO 0.65 -1.43 1.60 -2.30 0.70 0.00 0.00 175.22 174.45 3i7f n PRO 438 N -2.43 2.14 -0.29 0.24 -0.02 -1.26 -0.97 135.00 132.41 3i7f n PRO 438 Ca 0.09 0.77 0.11 0.00 -2.02 0.00 0.00 63.50 62.45 3i7f n PRO 438 Cb 0.53 -2.55 0.27 0.00 -0.02 0.00 0.00 33.50 31.73 3i7f n PRO 438 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i7f h ALA 439 N 6.19 1.31 0.00 3.55 0.00 -1.28 -2.30 119.26 126.73 3i7f h ALA 439 Ca -0.45 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3i7f h ALA 439 Cb 1.26 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 3i7f h ALA 439 CO 0.89 -0.31 -0.02 0.00 0.00 0.00 0.00 179.25 179.82 3i7f h ALA 440 N 1.67 1.39 -0.00 0.00 0.00 -1.91 -0.48 119.26 119.92 3i7f h ALA 440 Ca 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3i7f h ALA 440 Cb 0.93 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3i7f h ALA 440 CO -0.50 0.02 -0.69 -0.89 0.00 0.00 0.00 179.25 177.19 3i7f n ILE 441 N -3.66 0.00 -4.20 0.00 2.08 -0.87 -4.97 119.36 107.74 3i7f n ILE 441 Ca -0.03 -0.01 -0.22 0.00 0.56 0.00 0.00 62.75 63.05 3i7f n ILE 441 Cb 0.10 0.56 -0.06 0.00 -0.75 0.00 0.00 39.64 39.50 3i7f n ILE 441 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3i7f s ARG 442 N -2.98 2.59 0.95 0.38 1.81 -0.19 -5.08 118.95 116.44 3i7f s ARG 442 Ca 0.10 -1.25 -0.13 0.00 -1.72 0.00 0.00 55.73 52.73 3i7f s ARG 442 Cb 0.17 -2.35 0.16 0.00 -0.45 0.00 0.00 34.95 32.48 3i7f s ARG 442 CO 0.76 0.37 1.13 -2.14 -0.68 0.00 0.00 175.30 174.74 3i7f s PRO 443 N -3.76 0.82 0.50 3.54 0.02 -1.26 -4.92 135.00 129.94 3i7f s PRO 443 Ca 0.32 0.29 0.32 0.00 0.02 0.00 0.00 61.00 61.95 3i7f s PRO 443 Cb -0.07 -1.80 1.27 0.00 0.02 0.00 0.00 34.50 33.92 3i7f s PRO 443 CO 0.22 -2.41 1.93 0.27 -0.33 0.00 0.00 177.00 176.68 3i7f h PHE 444 N -1.66 0.00 0.00 6.54 -5.15 -1.93 -1.74 116.94 113.00 3i7f h PHE 444 Ca -0.51 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.26 3i7f h PHE 444 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.50 3i7f h PHE 444 CO 0.11 0.00 0.00 2.48 -2.00 0.00 0.00 178.31 178.90 3i7f n TYR 445 N -2.96 0.00 -2.55 6.09 0.18 -1.26 -4.56 117.16 112.10 3i7f n TYR 445 Ca 0.01 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.37 3i7f n TYR 445 Cb 0.30 -0.16 -0.03 0.00 -0.38 0.00 0.00 39.34 39.07 3i7f n TYR 445 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 3i7f s THR 446 N -2.31 4.28 -0.09 -3.48 2.01 -0.66 -0.66 115.64 114.72 3i7f s THR 446 Ca 0.36 1.71 -0.30 0.00 0.31 0.00 0.00 61.69 63.78 3i7f s THR 446 Cb 0.21 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 3i7f s THR 446 CO 0.41 0.18 1.28 -0.32 -0.69 0.00 0.00 174.62 175.48 3i7f s MET 447 N 0.68 4.28 0.66 4.92 1.75 -0.36 -4.74 119.30 126.50 3i7f s MET 447 Ca 0.54 1.74 -0.13 0.00 -1.25 0.00 0.00 55.69 56.59 3i7f s MET 447 Cb -0.27 -3.67 -0.00 0.00 2.84 0.00 0.00 34.83 33.73 3i7f s MET 447 CO 0.30 -0.60 1.07 -1.25 -0.65 0.00 0.00 175.02 173.89 3i7f s PRO 448 N 2.90 2.95 0.25 4.11 0.04 -1.26 0.47 135.00 144.45 3i7f s PRO 448 Ca 0.58 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 62.47 3i7f s PRO 448 Cb -0.25 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 3i7f s PRO 448 CO 0.20 -1.11 1.15 0.34 0.04 0.00 0.00 177.00 177.62 3i7f s ASP 449 N -3.17 7.16 0.31 6.66 2.15 -0.91 -4.51 116.67 124.35 3i7f s ASP 449 Ca 0.62 2.29 0.02 0.00 0.43 0.00 0.00 52.55 55.91 3i7f s ASP 449 Cb -0.16 -2.62 0.49 0.00 -0.30 0.00 0.00 42.92 40.33 3i7f s ASP 449 CO 0.46 -0.26 1.81 -0.29 -0.17 0.00 0.00 175.17 176.73 3i7f h ILE 450 N 3.35 1.22 0.00 4.11 6.09 -1.94 -3.04 117.51 127.31 3i7f h ILE 450 Ca -0.46 -0.94 -0.18 0.00 -1.37 0.00 0.00 64.86 61.91 3i7f h ILE 450 Cb 1.21 1.00 -0.02 0.00 0.47 0.00 0.00 36.82 39.49 3i7f h ILE 450 CO 0.70 0.32 -0.85 0.44 -3.07 0.00 0.00 178.15 175.68 3i7f h ASP 451 N 0.55 0.10 -1.71 2.19 3.32 -1.98 -3.43 116.42 115.46 3i7f h ASP 451 Ca 0.11 -0.08 -0.16 0.00 0.02 0.00 0.00 57.03 56.92 3i7f h ASP 451 Cb 0.43 -0.03 -0.28 0.00 0.22 0.00 0.00 39.33 39.66 3i7f h ASP 451 CO 0.02 0.90 -0.50 -0.62 -1.72 0.00 0.00 179.24 177.32 3i7f s ASP 452 N -6.83 0.21 0.12 6.45 3.68 -1.15 -5.03 116.67 114.13 3i7f s ASP 452 Ca -0.01 -0.13 0.16 0.00 2.13 0.00 0.00 52.55 54.69 3i7f s ASP 452 Cb 0.11 1.18 0.69 0.00 -1.45 0.00 0.00 42.92 43.45 3i7f s ASP 452 CO 0.81 -0.33 1.48 -0.81 0.13 0.00 0.00 175.17 176.45 3i7f n PRO 453 N 5.36 0.08 0.10 4.34 -0.04 -1.23 -0.46 135.00 143.16 3i7f n PRO 453 Ca -0.01 0.39 0.10 0.00 -0.04 0.00 0.00 63.50 63.95 3i7f n PRO 453 Cb 0.50 -1.67 0.45 0.00 -0.04 0.00 0.00 33.50 32.74 3i7f n PRO 453 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i7f n ASN 454 N -1.82 0.51 -4.83 3.54 3.02 -1.26 -4.58 115.26 109.84 3i7f n ASN 454 Ca 0.02 0.64 -0.26 0.00 -0.03 0.00 0.00 54.58 54.94 3i7f n ASN 454 Cb 0.14 -0.74 -0.04 0.00 -0.61 0.00 0.00 39.78 38.53 3i7f n ASN 454 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3i7f s TYR 455 N -3.27 2.02 0.17 3.10 2.02 0.40 -1.04 117.35 120.76 3i7f s TYR 455 Ca 0.04 -0.76 -0.13 0.00 -0.37 0.00 0.00 57.07 55.85 3i7f s TYR 455 Cb 0.09 -1.90 0.01 0.00 -0.40 0.00 0.00 41.96 39.76 3i7f s TYR 455 CO 0.34 -0.15 0.39 -1.54 -1.57 0.00 0.00 175.55 173.01 3i7f s SER 456 N -4.10 -0.09 -1.40 2.29 1.04 -0.15 -2.14 113.70 109.15 3i7f s SER 456 Ca 0.32 -0.68 -0.10 0.00 0.48 0.00 0.00 55.95 55.97 3i7f s SER 456 Cb 0.00 0.50 0.08 0.00 0.10 0.00 0.00 66.02 66.70 3i7f s SER 456 CO 0.19 -0.96 2.24 0.59 0.98 0.00 0.00 173.24 176.28 3i7f n ASN 457 N -0.26 5.72 -4.14 7.02 3.02 0.18 -3.66 115.26 123.13 3i7f n ASN 457 Ca -0.09 -2.95 -0.10 0.00 -0.03 0.00 0.00 54.58 51.42 3i7f n ASN 457 Cb 0.63 -1.53 -0.10 0.00 -0.61 0.00 0.00 39.78 38.17 3i7f n ASN 457 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3i7f s SER 458 N 1.72 0.31 -0.03 6.41 1.04 -1.26 -0.31 113.70 121.58 3i7f s SER 458 Ca 0.49 -1.19 -0.28 0.00 0.48 0.00 0.00 55.95 55.44 3i7f s SER 458 Cb 0.14 0.29 0.06 0.00 0.10 0.00 0.00 66.02 66.61 3i7f s SER 458 CO -0.05 -0.72 0.63 -0.72 0.98 0.00 0.00 173.24 173.35 3i7f s TYR 459 N -4.04 -0.59 0.07 5.02 -0.85 -0.61 -0.76 117.35 115.59 3i7f s TYR 459 Ca 0.23 0.94 0.07 0.00 -0.52 0.00 0.00 57.07 57.80 3i7f s TYR 459 Cb 0.07 0.38 -0.03 0.00 0.38 0.00 0.00 41.96 42.77 3i7f s TYR 459 CO 0.01 -0.61 -0.20 -0.51 -1.52 0.00 0.00 175.55 172.73 3i7f s ASP 460 N -1.36 2.41 -0.00 -0.18 1.11 -0.38 -1.43 116.67 116.84 3i7f s ASP 460 Ca -0.10 -0.58 0.06 0.00 0.18 0.00 0.00 52.55 52.11 3i7f s ASP 460 Cb -0.01 -0.17 -0.03 0.00 1.07 0.00 0.00 42.92 43.79 3i7f s ASP 460 CO 0.07 0.10 -0.19 -0.69 1.18 0.00 0.00 175.17 175.64 3i7f s VAL 461 N -0.96 2.66 -0.02 -1.27 1.01 -0.85 -0.51 120.40 120.45 3i7f s VAL 461 Ca 0.06 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.05 3i7f s VAL 461 Cb -0.09 -2.05 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 3i7f s VAL 461 CO 0.03 0.48 -0.14 -0.36 0.00 0.00 0.00 175.10 175.11 3i7f s PHE 462 N -0.78 1.31 -0.09 5.22 0.40 -0.58 -1.95 117.98 121.51 3i7f s PHE 462 Ca 0.12 -0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.16 3i7f s PHE 462 Cb -0.10 -0.88 0.02 0.00 0.51 0.00 0.00 43.02 42.57 3i7f s PHE 462 CO 0.02 -0.08 -0.13 0.08 0.70 0.00 0.00 175.22 175.81 3i7f s VAL 463 N -0.08 1.23 -1.37 -0.44 1.01 0.23 -2.40 120.40 118.58 3i7f s VAL 463 Ca 0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 3i7f s VAL 463 Cb -0.08 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.18 3i7f s VAL 463 CO 0.00 0.38 0.71 0.54 0.00 0.00 0.00 175.10 176.74 3i7f n ARG 464 N 4.10 -4.77 -1.80 2.72 1.74 -0.72 -2.25 116.66 115.68 3i7f n ARG 464 Ca -0.20 0.58 -0.18 0.00 -0.77 0.00 0.00 57.85 57.28 3i7f n ARG 464 Cb 0.51 -5.14 -0.05 0.00 -1.02 0.00 0.00 32.46 26.76 3i7f n ARG 464 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i7f n GLY 465 N -1.66 1.03 2.91 -0.13 0.00 -1.26 -4.93 105.19 101.14 3i7f n GLY 465 Ca -0.23 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 3i7f n GLY 465 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i7f s GLN 466 N -4.00 0.11 0.15 1.61 -0.21 -0.95 -3.30 119.66 113.06 3i7f s GLN 466 Ca 0.00 -0.20 -0.31 0.00 0.02 0.00 0.00 55.36 54.87 3i7f s GLN 466 Cb 0.00 0.03 -0.09 0.00 1.00 0.00 0.00 33.01 33.94 3i7f s GLN 466 CO 0.00 -0.01 1.51 -2.00 -2.12 0.00 0.00 175.29 172.67 3i7f s GLU 467 N -0.47 4.25 -0.03 2.91 2.12 -1.26 -0.60 118.70 125.61 3i7f s GLU 467 Ca -0.05 2.28 0.06 0.00 0.36 0.00 0.00 54.97 57.61 3i7f s GLU 467 Cb -0.03 -3.18 -0.09 0.00 0.26 0.00 0.00 34.13 31.09 3i7f s GLU 467 CO -0.00 -0.55 0.09 0.44 -0.54 0.00 0.00 175.26 174.70 3i7f n ILE 468 N 3.90 0.16 -3.93 -3.70 -5.35 -0.82 -4.89 119.36 104.73 3i7f n ILE 468 Ca 0.13 -0.18 -0.09 0.00 -0.27 0.00 0.00 62.75 62.33 3i7f n ILE 468 Cb 0.40 -0.11 -0.05 0.00 -1.74 0.00 0.00 39.64 38.13 3i7f n ILE 468 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3i7f s THR 469 N -2.32 0.02 -0.13 7.28 -4.23 -1.21 -1.91 115.64 113.14 3i7f s THR 469 Ca -0.03 -1.25 -0.12 0.00 -1.18 0.00 0.00 61.69 59.11 3i7f s THR 469 Cb 0.03 -1.96 0.03 0.00 1.34 0.00 0.00 72.50 71.94 3i7f s THR 469 CO 0.25 -0.10 0.36 -0.55 -0.54 0.00 0.00 174.62 174.04 3i7f s SER 470 N -2.97 -0.37 0.28 3.99 0.15 -0.93 -2.01 113.70 111.84 3i7f s SER 470 Ca 0.18 0.72 -0.20 0.00 0.70 0.00 0.00 55.95 57.35 3i7f s SER 470 Cb 0.00 0.73 0.04 0.00 -1.71 0.00 0.00 66.02 65.09 3i7f s SER 470 CO 0.04 -0.12 0.80 -0.83 1.20 0.00 0.00 173.24 174.33 3i7f s GLY 471 N 0.19 0.04 -0.15 9.45 0.00 -0.52 -1.12 107.32 115.21 3i7f s GLY 471 Ca -0.00 -0.37 -0.30 0.00 0.00 0.00 0.00 44.72 44.04 3i7f s GLY 471 CO 0.00 0.04 1.03 0.00 0.00 0.00 0.00 173.10 174.18 3i7f s ALA 472 N -3.22 -1.95 0.35 3.20 0.00 -1.08 -1.58 121.76 117.49 3i7f s ALA 472 Ca 0.13 1.53 -0.28 0.00 0.00 0.00 0.00 51.96 53.35 3i7f s ALA 472 Cb -0.05 -0.57 -0.09 0.00 0.00 0.00 0.00 23.12 22.40 3i7f s ALA 472 CO 0.07 -0.38 1.23 -1.14 0.00 0.00 0.00 175.76 175.55 3i7f s GLN 473 N -1.51 4.29 0.28 0.00 0.74 0.58 -2.72 119.66 121.31 3i7f s GLN 473 Ca 0.01 2.04 0.11 0.00 0.05 0.00 0.00 55.36 57.57 3i7f s GLN 473 Cb -0.01 -2.96 -0.05 0.00 1.10 0.00 0.00 33.01 31.10 3i7f s GLN 473 CO -0.01 -0.18 -0.10 1.03 -0.55 0.00 0.00 175.29 175.48 3i7f s ARG 474 N -1.91 1.98 -0.21 1.67 0.52 -0.74 -1.22 118.95 119.05 3i7f s ARG 474 Ca 0.51 -1.61 -0.26 0.00 -0.52 0.00 0.00 55.73 53.85 3i7f s ARG 474 Cb -0.36 -1.96 -0.01 0.00 0.52 0.00 0.00 34.95 33.15 3i7f s ARG 474 CO 0.47 0.33 0.87 0.42 0.02 0.00 0.00 175.30 177.41 3i7f s ILE 475 N -2.43 4.83 -1.27 1.52 1.01 0.16 -4.54 121.20 120.48 3i7f s ILE 475 Ca 0.31 1.68 0.11 0.00 0.00 0.00 0.00 60.65 62.75 3i7f s ILE 475 Cb -0.05 -4.16 0.12 0.00 0.01 0.00 0.00 42.46 38.38 3i7f s ILE 475 CO 0.17 -0.05 0.91 0.00 0.00 0.00 0.00 174.94 175.98 3i7f n HIS 476 N 5.70 0.08 -3.52 3.97 1.44 -1.26 -4.90 115.22 116.74 3i7f n HIS 476 Ca 0.06 -0.09 -0.38 0.00 -2.01 0.00 0.00 57.72 55.30 3i7f n HIS 476 Cb 0.48 -0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.48 3i7f n HIS 476 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3i7f s ASP 477 N -0.92 6.13 0.16 4.39 2.15 -1.26 -4.72 116.67 122.60 3i7f s ASP 477 Ca 0.14 0.13 -0.12 0.00 0.43 0.00 0.00 52.55 53.14 3i7f s ASP 477 Cb 0.09 -2.16 0.03 0.00 -0.30 0.00 0.00 42.92 40.59 3i7f s ASP 477 CO 0.14 -0.09 1.62 1.55 -0.17 0.00 0.00 175.17 178.22 3i7f h PRO 478 N 8.18 0.90 0.12 4.34 0.13 -1.88 -0.24 132.00 143.55 3i7f h PRO 478 Ca -0.34 -0.27 -0.00 0.00 -0.87 0.00 0.00 66.00 64.52 3i7f h PRO 478 Cb 1.18 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3i7f h PRO 478 CO 0.60 0.91 -0.09 0.93 -0.23 0.00 0.00 178.00 180.12 3i7f h GLU 479 N 0.78 -0.20 -0.21 0.86 3.07 -1.96 -0.73 114.58 116.19 3i7f h GLU 479 Ca 0.15 0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.95 3i7f h GLU 479 Cb 0.48 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 3i7f h GLU 479 CO 0.02 -0.14 -0.20 0.35 -1.40 0.00 0.00 179.01 177.65 3i7f h PHE 480 N -0.21 0.39 -0.39 4.33 3.57 -1.97 0.41 116.94 123.07 3i7f h PHE 480 Ca -0.01 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 3i7f h PHE 480 Cb 0.19 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 3i7f h PHE 480 CO -0.09 0.54 0.16 1.25 -2.23 0.00 0.00 178.31 177.94 3i7f h LEU 481 N 0.33 0.54 -1.13 0.59 5.85 -0.69 -1.56 115.31 119.24 3i7f h LEU 481 Ca 0.06 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 3i7f h LEU 481 Cb 0.54 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3i7f h LEU 481 CO 0.04 0.56 -0.07 -0.03 -0.34 0.00 0.00 178.44 178.59 3i7f h MET 482 N 0.49 0.52 -0.53 1.25 4.05 -0.61 0.02 114.93 120.13 3i7f h MET 482 Ca 0.13 -0.13 -0.02 0.00 -0.28 0.00 0.00 59.70 59.39 3i7f h MET 482 Cb 0.19 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 3i7f h MET 482 CO -0.01 0.60 0.24 0.87 0.23 0.00 0.00 176.91 178.84 3i7f h LYS 483 N 0.49 0.77 -0.20 0.39 6.56 -0.44 -2.13 116.57 122.00 3i7f h LYS 483 Ca 0.10 -0.12 -0.16 0.00 -1.06 0.00 0.00 60.65 59.41 3i7f h LYS 483 Cb 0.43 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 31.95 3i7f h LYS 483 CO 0.02 0.65 -0.53 0.00 -2.06 0.00 0.00 179.45 177.53 3i7f h ARG 484 N 0.71 0.59 -0.74 3.15 2.47 -1.06 -1.25 114.38 118.26 3i7f h ARG 484 Ca 0.18 -0.36 -0.00 0.00 -1.26 0.00 0.00 59.98 58.53 3i7f h ARG 484 Cb 0.14 0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.46 3i7f h ARG 484 CO -0.02 0.97 0.44 0.00 0.56 0.00 0.00 179.97 181.93 3i7f h ILE 486 N 1.01 1.30 0.00 0.00 2.04 -1.19 0.46 117.51 121.14 3i7f h ILE 486 Ca 0.27 -1.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.18 3i7f h ILE 486 Cb -0.04 2.07 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 3i7f h ILE 486 CO -0.05 0.60 -0.04 -0.33 0.00 0.00 0.00 178.15 178.33 3i7f h GLU 487 N 0.40 0.00 -0.58 2.37 5.08 -0.53 0.18 114.58 121.50 3i7f h GLU 487 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3i7f h GLU 487 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 3i7f h GLU 487 CO 0.15 0.04 0.00 1.63 -1.00 0.00 0.00 179.01 179.83 3i7f n LYS 488 N -4.09 2.68 -3.31 2.33 4.76 -0.19 -4.94 118.16 115.40 3i7f n LYS 488 Ca -0.03 -1.98 -0.16 0.00 -2.87 0.00 0.00 58.31 53.26 3i7f n LYS 488 Cb 0.13 -1.60 0.06 0.00 -1.84 0.00 0.00 35.03 31.78 3i7f n LYS 488 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i7f n GLY 489 N 1.06 -1.15 2.99 0.72 0.00 0.05 -5.02 105.19 103.84 3i7f n GLY 489 Ca 0.18 0.56 -0.22 0.00 0.00 0.00 0.00 46.02 46.54 3i7f n GLY 489 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i7f s VAL 490 N -3.36 0.85 -0.24 1.61 1.01 0.15 -5.01 120.40 115.41 3i7f s VAL 490 Ca 0.41 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 3i7f s VAL 490 Cb -0.07 -0.78 -0.00 0.00 0.00 0.00 0.00 36.38 35.52 3i7f s VAL 490 CO 0.76 0.28 1.25 -0.62 0.00 0.00 0.00 175.10 176.77 3i7f s ASP 491 N 0.45 6.84 0.38 3.32 2.15 -1.26 -4.01 116.67 124.53 3i7f s ASP 491 Ca -0.08 1.42 0.06 0.00 0.43 0.00 0.00 52.55 54.39 3i7f s ASP 491 Cb -0.12 -2.54 0.78 0.00 -0.30 0.00 0.00 42.92 40.74 3i7f s ASP 491 CO 0.01 -0.90 2.00 1.55 -0.17 0.00 0.00 175.17 177.67 3i7f h PRO 492 N 8.61 0.67 -0.96 4.34 0.13 -1.94 -0.88 132.00 141.97 3i7f h PRO 492 Ca -0.25 -0.04 0.18 0.00 -0.87 0.00 0.00 66.00 65.02 3i7f h PRO 492 Cb 1.09 -0.15 -0.09 0.00 0.13 0.00 0.00 31.00 31.99 3i7f h PRO 492 CO 1.00 0.44 0.61 0.00 -0.23 0.00 0.00 178.00 179.82 3i7f h ALA 493 N 1.65 1.87 -0.69 -0.56 0.00 -1.98 0.32 119.26 119.87 3i7f h ALA 493 Ca 0.24 0.04 0.19 0.00 0.00 0.00 0.00 54.91 55.38 3i7f h ALA 493 Cb 0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3i7f h ALA 493 CO -0.07 -0.18 0.49 1.15 0.00 0.00 0.00 179.25 180.64 3i7f h THR 494 N 0.66 0.69 -1.47 0.00 2.02 -1.55 -3.07 112.91 110.18 3i7f h THR 494 Ca 0.51 -0.03 -0.44 0.00 0.77 0.00 0.00 66.41 67.23 3i7f h THR 494 Cb 0.93 0.60 -0.40 0.00 -1.74 0.00 0.00 68.15 67.54 3i7f h THR 494 CO -0.27 0.01 -1.12 0.00 0.37 0.00 0.00 175.52 174.51 3i7f n LEU 495 N -4.37 1.74 0.20 2.58 -0.00 0.08 -4.96 117.00 112.27 3i7f n LEU 495 Ca 0.13 -4.42 -0.16 0.00 -0.00 0.00 0.00 56.01 51.56 3i7f n LEU 495 Cb 0.71 0.38 -0.09 0.00 -0.00 0.00 0.00 43.42 44.41 3i7f n LEU 495 CO 0.37 1.93 0.52 0.50 -0.00 0.00 0.00 177.39 180.70 3i7f h LYS 496 N 2.96 -0.80 -0.96 1.47 3.64 -1.40 -2.23 116.57 119.26 3i7f h LYS 496 Ca 0.02 0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.60 3i7f h LYS 496 Cb 1.04 0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 32.96 3i7f h LYS 496 CO 0.55 -0.53 0.61 -0.44 -2.27 0.00 0.00 179.45 177.37 3i7f h ASP 497 N -0.83 0.78 0.14 4.20 3.32 -1.90 0.21 116.42 122.34 3i7f h ASP 497 Ca -0.04 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3i7f h ASP 497 Cb 0.76 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.22 3i7f h ASP 497 CO -0.15 0.38 -0.07 0.22 -1.72 0.00 0.00 179.24 177.90 3i7f h TYR 498 N 0.82 -0.17 -0.50 4.55 3.20 -1.91 -1.50 116.97 121.45 3i7f h TYR 498 Ca 0.50 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.34 3i7f h TYR 498 Cb 0.69 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 3i7f h TYR 498 CO -0.00 0.03 0.23 0.82 -1.64 0.00 0.00 178.16 177.60 3i7f h ILE 499 N -0.36 1.20 0.00 1.81 2.04 -0.63 -2.55 117.51 119.02 3i7f h ILE 499 Ca -0.02 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 3i7f h ILE 499 Cb 0.28 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3i7f h ILE 499 CO 0.03 0.22 -0.09 -0.33 0.00 0.00 0.00 178.15 177.99 3i7f h GLU 500 N 0.66 0.00 0.00 2.37 5.08 -0.56 -2.51 114.58 119.63 3i7f h GLU 500 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3i7f h GLU 500 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3i7f h GLU 500 CO -0.02 0.09 0.00 -1.13 -1.00 0.00 0.00 179.01 176.95 3i7f n SER 501 N -3.32 0.15 -1.26 1.42 3.41 -0.57 -2.58 113.62 110.86 3i7f n SER 501 Ca -0.01 0.54 0.09 0.00 -0.26 0.00 0.00 58.87 59.23 3i7f n SER 501 Cb 0.28 -0.57 0.29 0.00 -0.26 0.00 0.00 64.21 63.95 3i7f n SER 501 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3i7f n PHE 502 N -1.67 1.02 0.34 7.33 3.72 -0.95 -4.54 117.46 122.73 3i7f n PHE 502 Ca 0.03 -0.46 0.12 0.00 -0.05 0.00 0.00 57.45 57.09 3i7f n PHE 502 Cb 0.18 -0.09 0.13 0.00 -0.94 0.00 0.00 39.48 38.76 3i7f n PHE 502 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i7f h ARG 503 N 3.61 0.00 -1.83 -1.08 3.08 -1.69 -3.40 114.38 113.07 3i7f h ARG 503 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 3i7f h ARG 503 Cb 1.02 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.67 3i7f h ARG 503 CO 0.08 0.00 -0.46 1.19 -1.07 0.00 0.00 179.97 179.71 3i7f n PHE 504 N -2.50 3.55 -0.21 3.04 3.72 -1.26 -4.96 117.46 118.84 3i7f n PHE 504 Ca 0.02 -3.29 0.00 0.00 -0.05 0.00 0.00 57.45 54.14 3i7f n PHE 504 Cb 0.49 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 3i7f n PHE 504 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i7f n GLY 505 N -0.40 -3.21 2.83 1.37 0.00 -1.26 -5.07 105.19 99.45 3i7f n GLY 505 Ca 0.38 -0.91 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 3i7f n GLY 505 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i7f s SER 506 N -0.54 0.96 0.24 1.61 0.15 -1.26 -4.98 113.70 109.88 3i7f s SER 506 Ca 0.00 0.13 -0.30 0.00 0.70 0.00 0.00 55.95 56.48 3i7f s SER 506 Cb 0.00 0.42 -0.10 0.00 -1.71 0.00 0.00 66.02 64.63 3i7f s SER 506 CO 0.00 -0.28 1.43 0.26 1.20 0.00 0.00 173.24 175.85 3i7f s TRP 507 N 2.34 3.05 0.25 3.44 0.52 -1.26 -4.94 118.94 122.33 3i7f s TRP 507 Ca 0.04 1.04 -0.31 0.00 0.02 0.00 0.00 56.10 56.89 3i7f s TRP 507 Cb -0.14 -3.79 -0.12 0.00 -1.15 0.00 0.00 33.47 28.26 3i7f s TRP 507 CO -0.09 -2.59 1.56 -2.30 0.02 0.00 0.00 176.95 173.54 3i7f n PRO 508 N 2.46 2.45 -3.78 4.98 -0.02 -1.26 -4.88 135.00 134.95 3i7f n PRO 508 Ca 0.07 0.87 -0.10 0.00 -2.02 0.00 0.00 63.50 62.33 3i7f n PRO 508 Cb 0.40 -2.63 -0.06 0.00 -0.02 0.00 0.00 33.50 31.20 3i7f n PRO 508 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3i7f s HIS 509 N 0.25 0.03 0.31 6.00 -3.43 -1.26 -0.84 115.29 116.35 3i7f s HIS 509 Ca 0.69 -0.41 -0.10 0.00 -0.80 0.00 0.00 55.06 54.44 3i7f s HIS 509 Cb -0.56 0.09 0.01 0.00 -1.43 0.00 0.00 32.58 30.69 3i7f s HIS 509 CO 0.45 -0.65 0.54 0.00 -2.00 0.00 0.00 174.74 173.08 3i7f s ALA 510 N -3.85 -0.03 0.00 -1.38 0.00 -0.87 -1.80 121.76 113.83 3i7f s ALA 510 Ca 0.06 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3i7f s ALA 510 Cb 0.03 1.02 0.00 0.00 0.00 0.00 0.00 23.12 24.17 3i7f s ALA 510 CO -0.10 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.21 3i7f n GLY 511 N -0.47 0.79 3.34 0.00 0.00 -1.10 -0.70 105.19 107.04 3i7f n GLY 511 Ca -0.02 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 3i7f n GLY 511 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7f s GLY 513 N -0.72 1.19 0.00 0.00 0.00 -0.28 -1.53 107.32 105.99 3i7f s GLY 513 Ca -0.08 -1.10 0.02 0.00 0.00 0.00 0.00 44.72 43.57 3i7f s GLY 513 CO 0.04 0.71 -0.03 -0.42 0.00 0.00 0.00 173.10 173.40 3i7f s ILE 514 N 1.45 3.93 -0.24 0.90 1.01 0.68 -2.19 121.20 126.74 3i7f s ILE 514 Ca 0.00 -0.68 -0.15 0.00 0.00 0.00 0.00 60.65 59.81 3i7f s ILE 514 Cb -0.15 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 3i7f s ILE 514 CO -0.09 0.38 0.38 -0.83 0.00 0.00 0.00 174.94 174.78 3i7f s GLY 515 N -1.52 1.97 0.04 6.18 0.00 -0.80 -1.11 107.32 112.07 3i7f s GLY 515 Ca 0.19 -0.69 -0.29 0.00 0.00 0.00 0.00 44.72 43.92 3i7f s GLY 515 CO 0.09 0.89 1.32 -2.00 0.00 0.00 0.00 173.10 173.40 3i7f h LEU 516 N 8.16 -0.90 -1.44 0.66 5.85 -1.43 -1.20 115.31 125.01 3i7f h LEU 516 Ca -0.34 0.03 0.33 0.00 0.84 0.00 0.00 57.88 58.74 3i7f h LEU 516 Cb 1.16 0.23 -0.10 0.00 0.37 0.00 0.00 40.66 42.32 3i7f h LEU 516 CO 0.68 -0.59 0.75 -0.33 -0.34 0.00 0.00 178.44 178.61 3i7f h GLU 517 N -1.17 0.25 -0.02 1.25 3.07 -1.86 -1.56 114.58 114.53 3i7f h GLU 517 Ca -0.11 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.71 3i7f h GLU 517 Cb 0.81 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 3i7f h GLU 517 CO 0.18 0.16 -0.07 -0.09 -1.40 0.00 0.00 179.01 177.79 3i7f h ARG 518 N 0.26 0.09 -0.68 2.33 9.65 -1.87 -1.68 114.38 122.48 3i7f h ARG 518 Ca 0.67 -0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 59.45 3i7f h ARG 518 Cb 1.93 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 30.49 3i7f h ARG 518 CO -0.31 0.69 0.31 0.97 2.80 0.00 0.00 179.97 184.44 3i7f h ILE 519 N -0.50 1.22 -0.00 1.20 2.10 -0.25 0.05 117.51 121.33 3i7f h ILE 519 Ca -0.00 -0.65 -0.21 0.00 1.08 0.00 0.00 64.86 65.08 3i7f h ILE 519 Cb 0.70 0.37 0.02 0.00 -1.09 0.00 0.00 36.82 36.81 3i7f h ILE 519 CO 0.02 0.27 -0.82 0.00 -1.08 0.00 0.00 178.15 176.53 3i7f h THR 520 N 0.97 1.35 -0.04 2.19 1.03 -1.42 0.90 112.91 117.89 3i7f h THR 520 Ca 0.24 -2.16 0.03 0.00 -0.01 0.00 0.00 66.41 64.51 3i7f h THR 520 Cb 0.12 2.49 -0.04 0.00 -1.07 0.00 0.00 68.15 69.65 3i7f h THR 520 CO -0.03 0.65 -0.17 -0.03 -0.01 0.00 0.00 175.52 175.93 3i7f h MET 521 N 0.14 -0.25 -0.04 0.00 1.85 -1.21 -2.11 114.93 113.32 3i7f h MET 521 Ca -0.10 0.02 -0.13 0.00 -0.61 0.00 0.00 59.70 58.88 3i7f h MET 521 Cb 1.50 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 33.58 3i7f h MET 521 CO 0.16 -0.17 -0.56 -0.07 -0.40 0.00 0.00 176.91 175.88 3i7f h LEU 522 N -0.26 0.13 -0.41 3.39 3.38 -1.00 -1.48 115.31 119.07 3i7f h LEU 522 Ca 0.07 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3i7f h LEU 522 Cb 0.35 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3i7f h LEU 522 CO -0.19 0.66 0.24 0.22 0.09 0.00 0.00 178.44 179.46 3i7f h TYR 523 N 0.09 0.45 -0.13 1.13 3.20 -0.62 -2.97 116.97 118.12 3i7f h TYR 523 Ca -0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3i7f h TYR 523 Cb 1.02 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.14 3i7f h TYR 523 CO 0.01 0.27 0.00 1.28 -1.64 0.00 0.00 178.16 178.08 3i7f n LEU 524 N -4.85 1.63 -1.61 2.82 4.77 -0.81 -4.62 117.00 114.32 3i7f n LEU 524 Ca 0.01 -0.65 -0.17 0.00 -0.03 0.00 0.00 56.01 55.17 3i7f n LEU 524 Cb 0.06 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 3i7f n LEU 524 CO 0.33 0.33 -0.19 0.61 -1.33 0.00 0.00 177.39 177.13 3i7f n GLY 525 N 1.14 0.67 3.72 -0.72 0.00 -0.79 -4.75 105.19 104.46 3i7f n GLY 525 Ca 0.17 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3i7f n GLY 525 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i7f s ILE 526 N -2.74 4.97 0.09 -0.61 1.01 -0.62 -4.99 121.20 118.31 3i7f s ILE 526 Ca 0.00 1.61 0.04 0.00 0.00 0.00 0.00 60.65 62.30 3i7f s ILE 526 Cb 0.00 -4.11 -0.23 0.00 0.01 0.00 0.00 42.46 38.12 3i7f s ILE 526 CO 0.00 0.24 1.17 1.55 0.00 0.00 0.00 174.94 177.90 3i7f h PRO 527 N 6.65 0.08 -5.07 2.79 0.13 -1.94 -3.42 132.00 131.22 3i7f h PRO 527 Ca -0.41 -0.13 -0.62 0.00 -0.87 0.00 0.00 66.00 63.97 3i7f h PRO 527 Cb 1.20 0.05 -0.15 0.00 0.13 0.00 0.00 31.00 32.23 3i7f h PRO 527 CO 0.75 1.01 -0.50 1.21 -0.23 0.00 0.00 178.00 180.24 3i7f s ASN 528 N -6.77 6.11 0.54 1.44 3.84 -1.26 -4.84 114.94 114.00 3i7f s ASN 528 Ca -0.01 0.10 0.28 0.00 0.21 0.00 0.00 52.86 53.45 3i7f s ASN 528 Cb 0.09 -2.11 1.56 0.00 -0.55 0.00 0.00 41.25 40.24 3i7f s ASN 528 CO 0.84 0.05 2.12 -0.29 -2.79 0.00 0.00 177.10 177.02 3i7f h ILE 529 N 5.06 0.53 0.00 -5.21 2.10 -1.87 -2.43 117.51 115.69 3i7f h ILE 529 Ca -0.38 -0.41 -0.03 0.00 1.08 0.00 0.00 64.86 65.13 3i7f h ILE 529 Cb 1.17 1.27 -0.00 0.00 -1.09 0.00 0.00 36.82 38.16 3i7f h ILE 529 CO 0.64 0.09 -0.14 0.03 -1.08 0.00 0.00 178.15 177.69 3i7f h ARG 530 N 0.00 0.00 0.00 2.19 3.08 -1.92 -1.80 114.38 115.93 3i7f h ARG 530 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i7f h ARG 530 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3i7f h ARG 530 CO 0.01 0.14 0.00 1.63 -1.07 0.00 0.00 179.97 180.68 3i7f n LYS 531 N -3.36 0.16 -0.07 0.04 5.02 -0.92 -3.05 118.16 115.99 3i7f n LYS 531 Ca -0.00 0.32 0.02 0.00 -2.02 0.00 0.00 58.31 56.63 3i7f n LYS 531 Cb 0.34 -1.76 0.06 0.00 -0.02 0.00 0.00 35.03 33.65 3i7f n LYS 531 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3i7f n VAL 532 N -2.05 1.01 -5.05 -0.18 0.31 -0.70 -4.93 118.33 106.74 3i7f n VAL 532 Ca 0.03 -1.01 -0.32 0.00 -0.01 0.00 0.00 64.34 63.03 3i7f n VAL 532 Cb 0.27 0.49 -0.14 0.00 -0.91 0.00 0.00 33.84 33.55 3i7f n VAL 532 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3i7f s THR 533 N -1.02 2.67 -0.03 2.52 -4.23 -1.08 -4.78 115.64 109.70 3i7f s THR 533 Ca 0.09 -0.87 -0.24 0.00 -1.18 0.00 0.00 61.69 59.49 3i7f s THR 533 Cb 0.05 -2.01 -0.18 0.00 1.34 0.00 0.00 72.50 71.70 3i7f s THR 533 CO 0.06 0.59 1.10 0.25 -0.54 0.00 0.00 174.62 176.08 3i7f h LEU 534 N 5.46 -0.17 -7.10 4.79 5.85 -1.92 -3.36 115.31 118.87 3i7f h LEU 534 Ca -0.44 -0.35 -0.62 0.00 0.84 0.00 0.00 57.88 57.30 3i7f h LEU 534 Cb 1.14 0.04 -0.41 0.00 0.37 0.00 0.00 40.66 41.81 3i7f h LEU 534 CO 0.49 0.31 -0.66 -0.36 -0.34 0.00 0.00 178.44 177.88 3i7f s PHE 535 N -4.02 2.90 -0.09 1.25 0.08 -1.26 -5.03 117.98 111.81 3i7f s PHE 535 Ca -0.14 -3.01 -0.40 0.00 0.12 0.00 0.00 56.93 53.50 3i7f s PHE 535 Cb 0.01 -2.42 -0.18 0.00 -0.57 0.00 0.00 43.02 39.87 3i7f s PHE 535 CO 0.56 -0.68 1.41 -2.30 -0.10 0.00 0.00 175.22 174.11 3i7f n PRO 536 N 2.73 0.76 -5.10 0.24 -0.02 -1.26 -4.97 135.00 127.37 3i7f n PRO 536 Ca 0.14 0.28 -0.30 0.00 -2.02 0.00 0.00 63.50 61.59 3i7f n PRO 536 Cb 0.35 -1.88 -0.17 0.00 -0.02 0.00 0.00 33.50 31.79 3i7f n PRO 536 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3i7f s ARG 537 N 1.42 2.44 0.16 -0.52 1.81 -1.26 -4.71 118.95 118.29 3i7f s ARG 537 Ca 0.92 -0.79 -0.24 0.00 -1.72 0.00 0.00 55.73 53.90 3i7f s ARG 537 Cb -1.12 -2.00 0.07 0.00 -0.45 0.00 0.00 34.95 31.46 3i7f s ARG 537 CO 0.58 0.27 1.01 0.16 -0.68 0.00 0.00 175.30 176.64 3i7f s ASP 538 N 0.08 -0.09 0.45 0.23 1.47 -0.89 -4.43 116.67 113.48 3i7f s ASP 538 Ca -0.08 -0.53 0.18 0.00 1.18 0.00 0.00 52.55 53.30 3i7f s ASP 538 Cb -0.14 0.49 1.05 0.00 -0.34 0.00 0.00 42.92 43.97 3i7f s ASP 538 CO 0.05 -0.93 1.95 -0.65 0.68 0.00 0.00 175.17 176.27 3i7f h PRO 539 N 2.00 0.00 0.00 2.11 0.11 -1.99 -2.46 132.00 131.77 3i7f h PRO 539 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3i7f h PRO 539 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3i7f h PRO 539 CO 0.30 0.23 -0.32 0.44 -0.21 0.00 0.00 178.00 178.44 3i7f n ILE 540 N -3.99 0.13 -3.50 4.15 -5.35 -1.26 -4.73 119.36 104.80 3i7f n ILE 540 Ca -0.02 -0.08 -0.29 0.00 -0.27 0.00 0.00 62.75 62.09 3i7f n ILE 540 Cb 0.30 -0.13 -0.13 0.00 -1.74 0.00 0.00 39.64 37.94 3i7f n ILE 540 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3i7f s ARG 541 N -3.04 0.41 -0.25 6.28 0.52 -0.93 -4.94 118.95 117.00 3i7f s ARG 541 Ca 0.11 -1.01 -0.05 0.00 -0.52 0.00 0.00 55.73 54.26 3i7f s ARG 541 Cb 0.17 -1.27 -0.16 0.00 0.52 0.00 0.00 34.95 34.20 3i7f s ARG 541 CO 0.64 -1.13 -0.19 -0.11 0.02 0.00 0.00 175.30 174.54 3i7f n LEU 542 N 4.54 2.57 -4.70 2.53 0.00 -1.25 -2.10 117.00 118.60 3i7f n LEU 542 Ca 0.04 0.07 -0.42 0.00 0.00 0.00 0.00 56.01 55.70 3i7f n LEU 542 Cb 0.39 -0.91 -0.03 0.00 0.00 0.00 0.00 43.42 42.88 3i7f n LEU 542 CO 0.10 0.79 0.97 0.20 0.00 0.00 0.00 177.39 179.45 3i7f s ASN 543 N -6.89 7.01 0.00 1.96 -0.87 -1.26 -5.00 114.94 109.89 3i7f s ASN 543 Ca -0.35 1.94 0.24 0.00 -1.57 0.00 0.00 52.86 53.13 3i7f s ASN 543 Cb 0.10 -2.57 1.42 0.00 -0.02 0.00 0.00 41.25 40.19 3i7f s ASN 543 CO 0.58 -0.58 1.79 -0.81 -2.57 0.00 0.00 177.10 175.51