#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u9i n HIS 15 N 0.00 0.92 -4.21 4.31 8.25 -1.26 -5.05 115.22 118.18 1u9i n HIS 15 Ca 0.00 -1.19 -0.15 0.00 -0.26 0.00 0.00 57.72 56.12 1u9i n HIS 15 Cb 0.00 -0.37 -0.08 0.00 1.12 0.00 0.00 29.99 30.66 1u9i n HIS 15 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1u9i s GLN 16 N -3.01 1.57 -0.32 -0.41 -0.21 -1.26 -5.12 119.66 110.91 1u9i s GLN 16 Ca 0.42 -1.80 -0.44 0.00 0.02 0.00 0.00 55.36 53.56 1u9i s GLN 16 Cb 0.36 0.33 -0.20 0.00 1.00 0.00 0.00 33.01 34.51 1u9i s GLN 16 CO 0.05 -0.58 1.44 0.00 -2.12 0.00 0.00 175.29 174.08 1u9i n ALA 17 N -0.48 -1.96 -1.58 6.09 0.00 -1.26 -4.78 120.51 116.54 1u9i n ALA 17 Ca 0.04 0.52 -0.55 0.00 0.00 0.00 0.00 53.44 53.46 1u9i n ALA 17 Cb 0.63 -1.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.12 1u9i n ALA 17 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1u9i n ILE 18 N 3.25 0.03 -3.09 0.00 -0.00 -1.26 -4.93 119.36 113.36 1u9i n ILE 18 Ca 0.27 -0.00 -0.37 0.00 -0.00 0.00 0.00 62.75 62.65 1u9i n ILE 18 Cb 0.00 -0.64 -0.06 0.00 -0.00 0.00 0.00 39.64 38.94 1u9i n ILE 18 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1u9i s ALA 19 N 0.72 3.43 0.06 -1.39 0.00 -1.26 -4.99 121.76 118.34 1u9i s ALA 19 Ca 0.88 0.19 0.08 0.00 0.00 0.00 0.00 51.96 53.12 1u9i s ALA 19 Cb -1.06 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 19.19 1u9i s ALA 19 CO 0.52 0.33 -0.20 0.15 0.00 0.00 0.00 175.76 176.56 1u9i s LYS 20 N -1.77 1.93 -0.18 0.00 1.02 -1.26 -0.87 119.74 118.62 1u9i s LYS 20 Ca 0.41 -1.06 -0.09 0.00 0.02 0.00 0.00 55.97 55.24 1u9i s LYS 20 Cb -0.18 -2.13 -0.05 0.00 -0.52 0.00 0.00 37.83 34.95 1u9i s LYS 20 CO 0.22 0.52 0.13 1.41 -0.92 0.00 0.00 175.35 176.71 1u9i s MET 21 N -1.61 3.99 0.32 1.68 -2.45 0.77 -4.82 119.30 117.17 1u9i s MET 21 Ca 0.15 -0.20 -0.28 0.00 -1.25 0.00 0.00 55.69 54.11 1u9i s MET 21 Cb -0.10 -3.35 -0.09 0.00 1.25 0.00 0.00 34.83 32.53 1u9i s MET 21 CO 0.06 0.42 1.11 1.03 1.05 0.00 0.00 175.02 178.69 1u9i s ARG 22 N 0.01 4.46 0.02 4.11 0.52 -1.25 -0.71 118.95 126.10 1u9i s ARG 22 Ca 0.10 1.78 0.19 0.00 -0.52 0.00 0.00 55.73 57.28 1u9i s ARG 22 Cb -0.11 -2.99 -0.18 0.00 0.52 0.00 0.00 34.95 32.18 1u9i s ARG 22 CO -0.00 0.05 0.65 0.25 0.02 0.00 0.00 175.30 176.27 1u9i n THR 23 N 0.78 0.84 -0.78 0.02 -2.24 -1.26 -4.87 114.28 106.77 1u9i n THR 23 Ca 0.01 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1u9i n THR 23 Cb 0.46 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1u9i n THR 23 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1u9i n MET 24 N -2.68 -0.44 -2.39 -0.78 0.00 -1.26 -4.74 117.12 104.84 1u9i n MET 24 Ca -0.11 0.11 -0.43 0.00 0.00 0.00 0.00 57.70 57.28 1u9i n MET 24 Cb 0.78 -3.99 -0.02 0.00 0.00 0.00 0.00 33.22 29.98 1u9i n MET 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1u9i s ILE 25 N -1.79 4.13 -0.34 2.02 1.01 -1.26 -4.89 121.20 120.09 1u9i s ILE 25 Ca 0.00 1.31 -0.43 0.00 0.00 0.00 0.00 60.65 61.53 1u9i s ILE 25 Cb 0.00 -4.06 -0.18 0.00 0.01 0.00 0.00 42.46 38.24 1u9i s ILE 25 CO 0.00 -0.35 1.63 1.21 0.00 0.00 0.00 174.94 177.43 1u9i n GLU 26 N 7.13 0.61 0.00 2.79 2.13 -1.26 -1.08 120.64 130.96 1u9i n GLU 26 Ca 0.15 0.23 0.00 0.00 0.66 0.00 0.00 57.16 58.19 1u9i n GLU 26 Cb 0.46 -1.82 0.00 0.00 0.27 0.00 0.00 31.44 30.35 1u9i n GLU 26 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1u9i n GLY 27 N 3.89 2.89 0.16 8.31 0.00 -1.26 -1.60 105.19 117.57 1u9i n GLY 27 Ca 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.18 1u9i n GLY 27 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1u9i h PHE 28 N 0.00 0.50 0.00 1.61 3.57 -1.41 -2.80 116.94 118.41 1u9i h PHE 28 Ca 0.00 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.40 1u9i h PHE 28 Cb 0.00 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 1u9i h PHE 28 CO 0.00 0.64 -0.02 -0.44 -2.23 0.00 0.00 178.31 176.25 1u9i h ASP 29 N 0.22 0.00 0.07 0.41 3.32 -1.91 0.11 116.42 118.65 1u9i h ASP 29 Ca 0.07 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1u9i h ASP 29 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1u9i h ASP 29 CO 0.02 0.02 -0.03 0.44 -1.72 0.00 0.00 179.24 177.97 1u9i h ASP 30 N 0.00 -0.08 -0.88 6.45 3.32 -1.88 0.60 116.42 123.95 1u9i h ASP 30 Ca -0.00 -0.50 0.07 0.00 0.02 0.00 0.00 57.03 56.62 1u9i h ASP 30 Cb 0.06 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.56 1u9i h ASP 30 CO 0.00 0.50 0.54 0.40 -1.72 0.00 0.00 179.24 178.96 1u9i h ILE 31 N -0.70 1.02 -0.27 0.35 1.08 -1.06 -1.05 117.51 116.89 1u9i h ILE 31 Ca -0.01 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 1u9i h ILE 31 Cb 0.57 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.29 1u9i h ILE 31 CO 0.02 0.18 0.00 -1.54 -0.69 0.00 0.00 178.15 176.11 1u9i n SER 32 N -4.62 1.64 -3.80 1.72 3.41 0.31 0.32 113.62 112.61 1u9i n SER 32 Ca 0.13 -1.90 -0.28 0.00 -0.26 0.00 0.00 58.87 56.57 1u9i n SER 32 Cb 0.20 -0.18 0.02 0.00 -0.26 0.00 0.00 64.21 63.99 1u9i n SER 32 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1u9i n HIS 33 N 0.36 -1.79 0.00 7.33 8.25 -0.40 -3.49 115.22 125.48 1u9i n HIS 33 Ca 0.12 0.62 0.00 0.00 -0.26 0.00 0.00 57.72 58.20 1u9i n HIS 33 Cb 0.28 -3.68 0.00 0.00 1.12 0.00 0.00 29.99 27.71 1u9i n HIS 33 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u9i n GLY 34 N -1.80 1.01 0.00 -1.41 0.00 0.20 -5.00 105.19 98.20 1u9i n GLY 34 Ca -0.21 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1u9i n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u9i n GLY 35 N 0.00 0.86 3.74 -0.02 0.00 -1.23 -3.91 105.19 104.64 1u9i n GLY 35 Ca 0.00 -1.99 -0.40 0.00 0.00 0.00 0.00 46.02 43.63 1u9i n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u9i s LEU 36 N 0.00 4.46 0.07 0.99 1.43 0.12 -4.68 118.68 121.06 1u9i s LEU 36 Ca 0.00 1.49 -0.33 0.00 -1.03 0.00 0.00 54.13 54.26 1u9i s LEU 36 Cb 0.00 -3.27 -0.12 0.00 0.03 0.00 0.00 46.19 42.83 1u9i s LEU 36 CO 0.00 0.02 1.74 -2.65 0.23 0.00 0.00 176.35 175.69 1u9i n PRO 37 N 2.74 2.30 -1.93 1.29 -0.02 -1.26 -0.17 135.00 137.95 1u9i n PRO 37 Ca -0.02 0.83 -0.41 0.00 -2.02 0.00 0.00 63.50 61.88 1u9i n PRO 37 Cb 0.50 -2.66 -0.01 0.00 -0.02 0.00 0.00 33.50 31.31 1u9i n PRO 37 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1u9i s ILE 38 N 2.40 2.32 -0.24 4.25 1.01 -0.04 -3.03 121.20 127.86 1u9i s ILE 38 Ca 0.84 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.81 1u9i s ILE 38 Cb -0.64 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1u9i s ILE 38 CO 0.43 0.08 0.00 0.61 0.00 0.00 0.00 174.94 176.05 1u9i n GLY 39 N 0.63 0.48 3.31 6.18 0.00 -1.26 -4.95 105.19 109.58 1u9i n GLY 39 Ca 0.01 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 1u9i n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u9i s ARG 40 N -1.35 1.23 -0.05 1.61 0.52 -1.17 -4.65 118.95 115.10 1u9i s ARG 40 Ca 0.00 -1.56 -0.10 0.00 -0.52 0.00 0.00 55.73 53.56 1u9i s ARG 40 Cb 0.00 -0.83 -0.05 0.00 0.52 0.00 0.00 34.95 34.59 1u9i s ARG 40 CO 0.00 0.08 0.26 -1.54 0.02 0.00 0.00 175.30 174.13 1u9i s SER 41 N -3.26 6.56 -0.17 0.23 1.04 -1.26 -1.94 113.70 114.90 1u9i s SER 41 Ca 0.21 0.66 0.01 0.00 0.48 0.00 0.00 55.95 57.31 1u9i s SER 41 Cb 0.02 -2.14 0.01 0.00 0.10 0.00 0.00 66.02 64.01 1u9i s SER 41 CO 0.05 0.34 -0.18 -0.89 0.98 0.00 0.00 173.24 173.53 1u9i s THR 42 N -1.12 2.29 0.01 2.02 2.01 0.22 -3.20 115.64 117.86 1u9i s THR 42 Ca 0.21 -0.88 -0.28 0.00 0.31 0.00 0.00 61.69 61.05 1u9i s THR 42 Cb -0.14 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 1u9i s THR 42 CO 0.10 0.53 0.88 -0.22 -0.69 0.00 0.00 174.62 175.22 1u9i s LEU 43 N 1.07 4.39 -0.25 4.42 2.96 0.28 -0.53 118.68 131.02 1u9i s LEU 43 Ca -0.01 1.54 0.00 0.00 -0.22 0.00 0.00 54.13 55.45 1u9i s LEU 43 Cb -0.14 -3.42 0.07 0.00 0.50 0.00 0.00 46.19 43.20 1u9i s LEU 43 CO -0.06 -0.16 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.11 1u9i s VAL 44 N 0.67 1.35 0.17 1.68 1.01 0.59 0.35 120.40 126.23 1u9i s VAL 44 Ca 0.46 -1.26 0.11 0.00 0.00 0.00 0.00 61.98 61.29 1u9i s VAL 44 Cb -0.21 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1u9i s VAL 44 CO 0.25 -0.26 -0.24 -0.94 0.00 0.00 0.00 175.10 173.91 1u9i s SER 45 N 1.45 3.30 -0.00 3.32 1.04 -0.37 -1.21 113.70 121.23 1u9i s SER 45 Ca -0.01 -0.83 -0.30 0.00 0.48 0.00 0.00 55.95 55.29 1u9i s SER 45 Cb -0.18 -0.23 0.11 0.00 0.10 0.00 0.00 66.02 65.81 1u9i s SER 45 CO -0.10 0.12 1.13 -0.83 0.98 0.00 0.00 173.24 174.54 1u9i s GLY 46 N -2.49 -0.35 1.03 7.32 0.00 -1.02 -0.71 107.32 111.11 1u9i s GLY 46 Ca 0.18 0.76 -0.15 0.00 0.00 0.00 0.00 44.72 45.50 1u9i s GLY 46 CO 0.08 0.20 1.15 -0.51 0.00 0.00 0.00 173.10 174.02 1u9i s THR 47 N -2.75 1.87 0.26 0.90 -4.23 -1.26 -1.78 115.64 108.64 1u9i s THR 47 Ca 0.12 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.32 1u9i s THR 47 Cb 0.01 -2.67 -0.13 0.00 1.34 0.00 0.00 72.50 71.05 1u9i s THR 47 CO -0.03 0.00 1.31 -0.24 -0.54 0.00 0.00 174.62 175.12 1u9i n SER 48 N -4.17 2.43 -0.91 3.99 2.88 -1.26 -2.80 113.62 113.79 1u9i n SER 48 Ca 0.10 1.16 -0.10 0.00 -1.33 0.00 0.00 58.87 58.70 1u9i n SER 48 Cb 0.59 -1.40 -0.03 0.00 -0.75 0.00 0.00 64.21 62.62 1u9i n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u9i n GLY 49 N 1.75 0.66 0.12 0.46 0.00 -1.26 -4.92 105.19 102.00 1u9i n GLY 49 Ca 0.10 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.70 1u9i n GLY 49 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1u9i h THR 50 N 0.00 0.00 0.00 2.61 1.35 -1.87 -3.48 112.91 111.51 1u9i h THR 50 Ca -0.22 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 1u9i h THR 50 Cb 0.86 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1u9i h THR 50 CO 0.29 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.17 1u9i n GLY 51 N 1.20 1.51 0.22 5.82 0.00 -1.26 -4.88 105.19 107.80 1u9i n GLY 51 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1u9i n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u9i h LYS 52 N 0.00 -0.38 -0.06 1.61 1.57 -1.93 -0.61 116.57 116.77 1u9i h LYS 52 Ca 0.00 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1u9i h LYS 52 Cb 0.00 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1u9i h LYS 52 CO 0.00 -0.26 -0.08 1.15 -0.57 0.00 0.00 179.45 179.70 1u9i h THR 53 N -0.40 0.79 -0.94 -0.16 2.02 -1.96 -0.68 112.91 111.58 1u9i h THR 53 Ca -0.00 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.32 1u9i h THR 53 Cb 0.37 0.79 -0.09 0.00 -1.74 0.00 0.00 68.15 67.48 1u9i h THR 53 CO -0.04 0.00 0.55 0.25 0.37 0.00 0.00 175.52 176.65 1u9i h LEU 54 N -0.10 0.75 0.15 2.58 5.85 -1.94 0.26 115.31 122.86 1u9i h LEU 54 Ca 0.05 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1u9i h LEU 54 Cb 0.18 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1u9i h LEU 54 CO -0.12 0.35 -0.07 0.15 -0.34 0.00 0.00 178.44 178.40 1u9i h PHE 55 N 0.81 -0.19 -0.20 1.25 3.57 -0.34 -0.44 116.94 121.40 1u9i h PHE 55 Ca 0.49 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.98 1u9i h PHE 55 Cb 0.61 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1u9i h PHE 55 CO -0.04 0.06 0.10 0.66 -2.23 0.00 0.00 178.31 176.86 1u9i h SER 56 N -0.43 0.24 0.43 0.41 4.64 -0.13 -0.71 113.55 118.00 1u9i h SER 56 Ca -0.02 -0.01 -0.31 0.00 -0.47 0.00 0.00 61.79 60.98 1u9i h SER 56 Cb 0.34 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1u9i h SER 56 CO 0.03 0.20 -1.44 0.40 -0.87 0.00 0.00 176.83 175.15 1u9i h ILE 57 N 0.27 1.29 -0.12 0.95 2.04 -0.39 -3.11 117.51 118.44 1u9i h ILE 57 Ca 0.07 -2.83 -0.07 0.00 1.00 0.00 0.00 64.86 63.03 1u9i h ILE 57 Cb 0.02 2.92 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 1u9i h ILE 57 CO -0.01 0.85 -0.24 -0.61 0.00 0.00 0.00 178.15 178.13 1u9i h GLN 58 N 0.10 0.22 -0.64 2.37 4.15 -0.70 0.26 115.11 120.87 1u9i h GLN 58 Ca -0.22 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.11 1u9i h GLN 58 Cb 2.06 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 29.70 1u9i h GLN 58 CO 0.22 0.45 0.31 0.35 -1.93 0.00 0.00 178.83 178.23 1u9i h PHE 59 N 0.20 0.91 -0.00 3.99 3.57 -1.16 0.67 116.94 125.11 1u9i h PHE 59 Ca 0.03 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 1u9i h PHE 59 Cb 0.54 -0.28 0.01 0.00 2.79 0.00 0.00 35.95 39.00 1u9i h PHE 59 CO 0.01 0.68 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.40 1u9i h LEU 60 N 0.87 0.26 -0.11 0.59 3.38 -1.36 -2.95 115.31 115.99 1u9i h LEU 60 Ca 0.22 -0.77 0.04 0.00 0.09 0.00 0.00 57.88 57.46 1u9i h LEU 60 Cb 0.10 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1u9i h LEU 60 CO -0.03 1.00 -0.22 0.22 0.09 0.00 0.00 178.44 179.50 1u9i h TYR 61 N -0.45 -0.57 -0.90 1.13 3.20 -0.37 -1.49 116.97 117.51 1u9i h TYR 61 Ca -0.04 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1u9i h TYR 61 Cb 1.04 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.54 1u9i h TYR 61 CO 0.18 -0.30 0.53 -0.91 -1.64 0.00 0.00 178.16 176.02 1u9i h ASN 62 N -0.28 1.10 -0.22 -2.11 4.21 -0.99 -0.67 115.58 116.61 1u9i h ASN 62 Ca 0.10 -0.07 0.06 0.00 1.21 0.00 0.00 56.30 57.59 1u9i h ASN 62 Cb 0.42 -0.28 -0.06 0.00 -1.12 0.00 0.00 38.32 37.28 1u9i h ASN 62 CO -0.28 0.85 -0.21 1.23 -1.29 0.00 0.00 177.43 177.74 1u9i h GLY 63 N 1.26 -0.10 0.94 2.83 0.00 -1.12 0.24 103.07 107.12 1u9i h GLY 63 Ca 0.32 0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.89 1u9i h GLY 63 CO -0.06 -0.19 -0.18 -2.22 0.00 0.00 0.00 176.54 173.89 1u9i h ILE 64 N -0.21 0.63 -0.32 2.60 5.03 -0.85 -1.16 117.51 123.23 1u9i h ILE 64 Ca 0.13 -0.12 -0.14 0.00 -0.12 0.00 0.00 64.86 64.62 1u9i h ILE 64 Cb 0.41 0.70 -0.01 0.00 -3.03 0.00 0.00 36.82 34.89 1u9i h ILE 64 CO -0.35 0.02 -0.36 0.40 -0.68 0.00 0.00 178.15 177.19 1u9i h ILE 65 N -0.57 1.28 0.05 -0.67 1.08 -0.94 -1.31 117.51 116.43 1u9i h ILE 65 Ca -0.05 -1.51 -0.31 0.00 -0.39 0.00 0.00 64.86 62.59 1u9i h ILE 65 Cb 0.43 1.42 -0.04 0.00 -3.07 0.00 0.00 36.82 35.56 1u9i h ILE 65 CO 0.09 0.49 -1.77 -0.33 -0.69 0.00 0.00 178.15 175.94 1u9i h GLU 66 N 0.61 0.10 0.00 2.37 4.39 -0.59 -3.41 114.58 118.05 1u9i h GLU 66 Ca 0.06 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1u9i h GLU 66 Cb 0.89 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1u9i h GLU 66 CO 0.08 0.77 0.00 1.19 -1.16 0.00 0.00 179.01 179.88 1u9i n PHE 67 N -3.21 0.00 -3.98 4.33 3.01 -0.50 -5.00 117.46 112.10 1u9i n PHE 67 Ca -0.21 -0.24 -0.28 0.00 1.01 0.00 0.00 57.45 57.73 1u9i n PHE 67 Cb 1.05 -0.02 -0.01 0.00 -0.01 0.00 0.00 39.48 40.48 1u9i n PHE 67 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1u9i n ASP 68 N -0.24 -1.47 -4.43 4.37 -0.08 -0.49 -4.93 116.55 109.28 1u9i n ASP 68 Ca 0.00 -0.97 -0.39 0.00 -1.51 0.00 0.00 54.79 51.92 1u9i n ASP 68 Cb 0.27 -3.17 -0.12 0.00 2.34 0.00 0.00 41.12 40.44 1u9i n ASP 68 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1u9i s GLU 69 N -6.59 3.26 0.76 -0.67 2.02 -0.85 -4.93 118.70 111.71 1u9i s GLU 69 Ca 0.23 -0.77 -0.15 0.00 0.02 0.00 0.00 54.97 54.30 1u9i s GLU 69 Cb -0.12 -3.60 0.05 0.00 0.10 0.00 0.00 34.13 30.56 1u9i s GLU 69 CO 0.88 -0.46 1.21 -2.30 0.02 0.00 0.00 175.26 174.62 1u9i n PRO 70 N 4.99 0.48 -4.12 0.39 -0.02 -1.26 -2.93 135.00 132.52 1u9i n PRO 70 Ca -0.13 0.23 -0.15 0.00 -2.02 0.00 0.00 63.50 61.43 1u9i n PRO 70 Cb 0.49 -2.45 -0.12 0.00 -0.02 0.00 0.00 33.50 31.40 1u9i n PRO 70 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1u9i s GLY 71 N -1.87 0.58 -0.10 -1.23 0.00 -0.30 -1.12 107.32 103.28 1u9i s GLY 71 Ca 0.76 -0.76 0.04 0.00 0.00 0.00 0.00 44.72 44.76 1u9i s GLY 71 CO 0.48 -0.79 -0.24 0.14 0.00 0.00 0.00 173.10 172.69 1u9i s VAL 72 N -1.17 2.05 -0.25 1.40 1.01 -0.51 -1.30 120.40 121.63 1u9i s VAL 72 Ca -0.06 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 60.94 1u9i s VAL 72 Cb -0.09 -1.77 0.06 0.00 0.00 0.00 0.00 36.38 34.57 1u9i s VAL 72 CO 0.01 0.56 -0.12 0.12 0.00 0.00 0.00 175.10 175.67 1u9i s PHE 73 N 0.37 3.22 -0.26 5.22 5.36 0.30 -2.15 117.98 130.04 1u9i s PHE 73 Ca -0.18 -2.25 -0.16 0.00 -0.96 0.00 0.00 56.93 53.37 1u9i s PHE 73 Cb -0.18 -1.93 -0.03 0.00 -0.34 0.00 0.00 43.02 40.53 1u9i s PHE 73 CO 0.08 -0.87 0.45 0.08 -1.46 0.00 0.00 175.22 173.50 1u9i s VAL 74 N 1.12 5.12 -0.11 3.12 1.01 -0.92 0.43 120.40 130.18 1u9i s VAL 74 Ca -0.08 0.74 0.01 0.00 0.00 0.00 0.00 61.98 62.65 1u9i s VAL 74 Cb -0.19 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 1u9i s VAL 74 CO -0.06 0.12 -0.14 0.28 0.00 0.00 0.00 175.10 175.31 1u9i s THR 75 N 2.17 3.00 -0.04 3.92 -1.32 -0.33 -0.73 115.64 122.30 1u9i s THR 75 Ca 0.18 -0.70 0.18 0.00 -1.21 0.00 0.00 61.69 60.14 1u9i s THR 75 Cb -0.16 -2.23 -0.27 0.00 -1.51 0.00 0.00 72.50 68.33 1u9i s THR 75 CO 0.09 0.54 0.39 0.49 -2.21 0.00 0.00 174.62 173.93 1u9i n PHE 76 N 3.18 0.00 0.03 9.09 3.01 -1.21 -0.25 117.46 131.31 1u9i n PHE 76 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.28 1u9i n PHE 76 Cb 0.53 -0.39 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 1u9i n PHE 76 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1u9i n GLU 77 N -2.09 0.00 -1.68 -1.08 2.13 -1.26 -3.70 120.64 112.96 1u9i n GLU 77 Ca -0.03 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.41 1u9i n GLU 77 Cb 0.45 -0.19 0.06 0.00 0.27 0.00 0.00 31.44 32.03 1u9i n GLU 77 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1u9i n GLU 78 N -2.98 1.06 -2.90 5.31 1.02 -1.26 -4.86 120.64 116.03 1u9i n GLU 78 Ca 0.00 0.41 -0.33 0.00 -0.02 0.00 0.00 57.16 57.23 1u9i n GLU 78 Cb 0.00 -2.36 -0.06 0.00 -0.02 0.00 0.00 31.44 29.00 1u9i n GLU 78 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1u9i s THR 79 N -1.44 4.53 0.35 2.62 -1.32 -1.26 -4.84 115.64 114.29 1u9i s THR 79 Ca 0.79 1.21 0.03 0.00 -1.21 0.00 0.00 61.69 62.50 1u9i s THR 79 Cb -0.40 -3.62 0.23 0.00 -1.51 0.00 0.00 72.50 67.20 1u9i s THR 79 CO 0.44 -0.32 1.97 -0.65 -2.21 0.00 0.00 174.62 173.85 1u9i h PRO 80 N 1.89 0.76 -0.74 7.08 0.11 -1.97 -0.59 132.00 138.55 1u9i h PRO 80 Ca -0.48 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.50 1u9i h PRO 80 Cb 1.18 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 1u9i h PRO 80 CO 0.63 0.56 0.25 1.96 -0.21 0.00 0.00 178.00 181.19 1u9i h GLN 81 N 0.77 1.13 -0.31 1.05 1.08 -1.99 -1.38 115.11 115.46 1u9i h GLN 81 Ca 0.20 -0.23 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 1u9i h GLN 81 Cb 0.02 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.27 1u9i h GLN 81 CO -0.03 0.96 -0.02 -0.44 -0.95 0.00 0.00 178.83 178.34 1u9i h ASP 82 N 1.09 0.55 -0.98 1.46 3.32 -1.75 0.11 116.42 120.22 1u9i h ASP 82 Ca 0.24 -0.32 0.06 0.00 0.02 0.00 0.00 57.03 57.03 1u9i h ASP 82 Cb 0.28 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 39.61 1u9i h ASP 82 CO -0.01 0.75 0.63 0.40 -1.72 0.00 0.00 179.24 179.29 1u9i h ILE 83 N 0.35 1.09 -0.21 0.35 1.08 -0.92 0.77 117.51 120.03 1u9i h ILE 83 Ca 0.09 -0.40 -0.05 0.00 -0.39 0.00 0.00 64.86 64.11 1u9i h ILE 83 Cb 0.47 -0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.05 1u9i h ILE 83 CO 0.02 0.21 -0.07 0.40 -0.69 0.00 0.00 178.15 178.02 1u9i h ILE 84 N 1.16 1.29 -0.20 -0.67 1.08 -0.91 -2.13 117.51 117.14 1u9i h ILE 84 Ca 0.42 -1.09 0.00 0.00 -0.39 0.00 0.00 64.86 63.81 1u9i h ILE 84 Cb 0.15 1.57 -0.01 0.00 -3.07 0.00 0.00 36.82 35.45 1u9i h ILE 84 CO -0.17 0.33 0.13 0.50 -0.69 0.00 0.00 178.15 178.25 1u9i h LYS 85 N 0.14 0.26 -0.78 2.37 1.63 0.40 -2.80 116.57 117.78 1u9i h LYS 85 Ca 0.05 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1u9i h LYS 85 Cb 0.54 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.07 1u9i h LYS 85 CO 0.02 0.18 0.42 -0.91 -3.45 0.00 0.00 179.45 175.72 1u9i h ASN 86 N 0.26 0.98 0.06 4.20 2.35 0.53 -1.98 115.58 121.99 1u9i h ASN 86 Ca 0.07 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1u9i h ASN 86 Cb -0.02 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.10 1u9i h ASN 86 CO -0.02 0.79 -0.01 0.00 -1.65 0.00 0.00 177.43 176.55 1u9i h ALA 87 N 1.36 1.26 0.00 -0.83 0.00 -1.11 -0.52 119.26 119.42 1u9i h ALA 87 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1u9i h ALA 87 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1u9i h ALA 87 CO -0.04 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.22 1u9i h ARG 88 N 0.00 0.00 -0.74 0.00 3.08 -1.28 -0.82 114.38 114.62 1u9i h ARG 88 Ca -0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1u9i h ARG 88 Cb 0.04 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1u9i h ARG 88 CO 0.00 0.00 0.48 1.03 -1.07 0.00 0.00 179.97 180.41 1u9i h SER 89 N 0.00 0.85 -0.73 7.04 0.87 -1.24 -2.21 113.55 118.14 1u9i h SER 89 Ca 0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1u9i h SER 89 Cb 0.18 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1u9i h SER 89 CO 0.00 0.63 0.00 0.49 -0.53 0.00 0.00 176.83 177.42 1u9i n PHE 90 N -4.42 1.02 -3.03 2.24 3.01 -0.32 -4.81 117.46 111.15 1u9i n PHE 90 Ca 0.08 -0.51 -0.12 0.00 1.01 0.00 0.00 57.45 57.91 1u9i n PHE 90 Cb 0.04 -0.02 0.04 0.00 -0.01 0.00 0.00 39.48 39.53 1u9i n PHE 90 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1u9i n GLY 91 N 1.61 0.22 3.23 1.37 0.00 -0.83 -4.73 105.19 106.06 1u9i n GLY 91 Ca 0.25 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1u9i n GLY 91 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1u9i s TRP 92 N -3.16 2.80 -0.85 1.61 0.51 -1.17 -5.02 118.94 113.66 1u9i s TRP 92 Ca 0.28 -1.17 -0.12 0.00 -2.12 0.00 0.00 56.10 52.97 1u9i s TRP 92 Cb -0.12 -1.92 0.22 0.00 -0.81 0.00 0.00 33.47 30.83 1u9i s TRP 92 CO 0.36 -0.57 0.79 0.34 -0.51 0.00 0.00 176.95 177.36 1u9i s ASP 93 N 1.02 6.68 0.31 2.95 -1.08 -1.26 -3.96 116.67 121.33 1u9i s ASP 93 Ca -0.01 -2.87 0.13 0.00 -0.52 0.00 0.00 52.55 49.28 1u9i s ASP 93 Cb -0.15 -2.17 0.48 0.00 -1.46 0.00 0.00 42.92 39.62 1u9i s ASP 93 CO -0.03 -0.50 1.67 -0.07 0.52 0.00 0.00 175.17 176.75 1u9i h LEU 94 N 7.50 0.00 -1.17 -1.34 3.38 -1.95 -2.79 115.31 118.94 1u9i h LEU 94 Ca 0.11 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1u9i h LEU 94 Cb 1.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 1u9i h LEU 94 CO 0.79 0.53 0.57 0.00 0.09 0.00 0.00 178.44 180.41 1u9i h ALA 95 N 1.47 1.44 -0.06 1.53 0.00 -1.91 -0.48 119.26 121.25 1u9i h ALA 95 Ca -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1u9i h ALA 95 Cb 0.99 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1u9i h ALA 95 CO 0.07 0.48 0.02 -0.22 0.00 0.00 0.00 179.25 179.61 1u9i h LYS 96 N 1.10 0.10 -0.01 0.00 3.64 -1.92 -1.98 116.57 117.50 1u9i h LYS 96 Ca 0.33 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 1u9i h LYS 96 Cb -0.02 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1u9i h LYS 96 CO -0.09 0.26 -0.09 -0.07 -2.27 0.00 0.00 179.45 177.19 1u9i h LEU 97 N -0.08 0.01 -0.36 5.20 3.38 -1.30 0.10 115.31 122.26 1u9i h LEU 97 Ca 0.02 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 1u9i h LEU 97 Cb 0.20 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1u9i h LEU 97 CO -0.00 0.10 -0.48 0.58 0.09 0.00 0.00 178.44 178.73 1u9i h VAL 98 N 0.01 1.28 -0.49 1.22 2.07 -0.85 -0.14 116.25 119.35 1u9i h VAL 98 Ca 0.00 -1.67 -0.11 0.00 0.82 0.00 0.00 66.70 65.74 1u9i h VAL 98 Cb 0.17 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1u9i h VAL 98 CO 0.01 0.55 -0.13 -0.78 0.02 0.00 0.00 177.57 177.24 1u9i h ASP 99 N 0.68 0.97 0.05 0.57 3.58 -0.49 -2.24 116.42 119.55 1u9i h ASP 99 Ca 0.03 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 57.12 1u9i h ASP 99 Cb 1.08 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.87 1u9i h ASP 99 CO 0.11 1.11 0.00 -0.62 -2.88 0.00 0.00 179.24 176.96 1u9i n GLU 100 N -4.19 0.68 -1.06 0.28 1.02 0.25 -4.86 120.64 112.77 1u9i n GLU 100 Ca 0.00 0.01 -0.02 0.00 -0.02 0.00 0.00 57.16 57.13 1u9i n GLU 100 Cb 0.41 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.32 1u9i n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u9i n GLY 101 N 0.49 0.41 0.14 0.62 0.00 -0.84 -4.86 105.19 101.14 1u9i n GLY 101 Ca 0.17 -0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.14 1u9i n GLY 101 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u9i h LYS 102 N 0.40 0.00 -5.10 1.61 1.79 -1.29 -3.46 116.57 110.51 1u9i h LYS 102 Ca -0.04 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 57.98 1u9i h LYS 102 Cb 0.55 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 30.92 1u9i h LYS 102 CO 0.06 0.29 -0.80 -1.17 -1.08 0.00 0.00 179.45 176.75 1u9i s LEU 103 N -6.07 2.03 -0.09 2.94 2.96 -0.70 -1.15 118.68 118.60 1u9i s LEU 103 Ca 0.02 -0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1u9i s LEU 103 Cb 0.08 -0.63 0.03 0.00 0.50 0.00 0.00 46.19 46.17 1u9i s LEU 103 CO 0.76 0.14 -0.01 0.12 -1.32 0.00 0.00 176.35 176.04 1u9i s PHE 104 N -0.33 0.88 -0.35 5.38 5.36 -0.42 -3.90 117.98 124.61 1u9i s PHE 104 Ca 0.04 -0.36 -0.17 0.00 -0.96 0.00 0.00 56.93 55.48 1u9i s PHE 104 Cb -0.05 -0.92 -0.01 0.00 -0.34 0.00 0.00 43.02 41.71 1u9i s PHE 104 CO -0.00 -0.39 0.47 0.42 -1.46 0.00 0.00 175.22 174.25 1u9i s ILE 105 N 1.90 5.06 -0.42 3.12 1.01 -1.26 -0.54 121.20 130.07 1u9i s ILE 105 Ca 0.04 0.26 -0.20 0.00 0.00 0.00 0.00 60.65 60.75 1u9i s ILE 105 Cb -0.13 -3.93 0.02 0.00 0.01 0.00 0.00 42.46 38.43 1u9i s ILE 105 CO -0.06 -0.19 0.61 -0.22 0.00 0.00 0.00 174.94 175.09 1u9i s LEU 106 N 2.29 4.49 -0.53 2.97 2.96 0.17 -4.94 118.68 126.10 1u9i s LEU 106 Ca 0.17 -0.29 -0.28 0.00 -0.22 0.00 0.00 54.13 53.50 1u9i s LEU 106 Cb -0.16 -2.69 0.03 0.00 0.50 0.00 0.00 46.19 43.87 1u9i s LEU 106 CO 0.13 -0.72 1.15 -0.62 -1.32 0.00 0.00 176.35 174.97 1u9i s ASP 107 N 1.94 6.53 -0.02 3.68 -1.08 -1.26 -1.19 116.67 125.28 1u9i s ASP 107 Ca 0.22 0.26 0.06 0.00 -0.52 0.00 0.00 52.55 52.56 1u9i s ASP 107 Cb -0.14 -2.54 0.15 0.00 -1.46 0.00 0.00 42.92 38.92 1u9i s ASP 107 CO 0.18 -1.36 1.12 0.00 0.52 0.00 0.00 175.17 175.63 1u9i n ALA 108 N 8.10 2.12 -1.51 3.66 0.00 0.65 -4.97 120.51 128.56 1u9i n ALA 108 Ca 0.10 -1.21 -0.33 0.00 0.00 0.00 0.00 53.44 52.00 1u9i n ALA 108 Cb 0.49 -0.21 0.05 0.00 0.00 0.00 0.00 19.45 19.77 1u9i n ALA 108 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1u9i s SER 109 N -1.16 5.13 0.67 0.00 1.04 -1.02 -4.68 113.70 113.68 1u9i s SER 109 Ca 0.12 1.96 -0.11 0.00 0.48 0.00 0.00 55.95 58.40 1u9i s SER 109 Cb 0.08 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.64 1u9i s SER 109 CO 0.06 -1.62 1.06 -2.84 0.98 0.00 0.00 173.24 170.89 1u9i s PRO 110 N -4.18 3.20 -0.15 4.02 0.02 -1.26 -5.02 135.00 131.62 1u9i s PRO 110 Ca 0.66 0.65 -0.29 0.00 0.02 0.00 0.00 61.00 62.04 1u9i s PRO 110 Cb -0.20 -2.04 -0.00 0.00 0.02 0.00 0.00 34.50 32.28 1u9i s PRO 110 CO 0.43 -0.84 1.03 -0.51 -0.33 0.00 0.00 177.00 176.78 1u9i s ASP 111 N -4.21 7.18 0.52 2.53 1.01 -1.26 -4.92 116.67 117.53 1u9i s ASP 111 Ca 0.57 1.48 0.24 0.00 0.71 0.00 0.00 52.55 55.54 1u9i s ASP 111 Cb -0.11 -2.55 1.36 0.00 1.01 0.00 0.00 42.92 42.63 1u9i s ASP 111 CO 0.53 -0.54 2.01 -0.65 0.21 0.00 0.00 175.17 176.74 1u9i h PRO 112 N 7.25 0.03 0.00 8.23 0.11 -2.04 -3.28 132.00 142.30 1u9i h PRO 112 Ca -0.26 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1u9i h PRO 112 Cb 1.11 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1u9i h PRO 112 CO 0.90 0.02 0.00 0.39 -0.21 0.00 0.00 178.00 179.10 1u9i n GLU 113 N -4.40 0.00 0.00 1.05 4.71 -1.26 -5.05 120.64 115.69 1u9i n GLU 113 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.23 1u9i n GLU 113 Cb 0.54 -0.32 0.00 0.00 -1.01 0.00 0.00 31.44 30.65 1u9i n GLU 113 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1u9i n GLY 114 N 0.12 2.89 3.71 0.62 0.00 -1.24 -5.19 105.19 106.11 1u9i n GLY 114 Ca 0.00 0.10 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 1u9i n GLY 114 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u9i n GLN 115 N 0.00 1.10 0.00 1.61 6.02 -1.26 -5.10 117.38 119.75 1u9i n GLN 115 Ca 0.00 -2.16 0.00 0.00 -0.01 0.00 0.00 57.00 54.83 1u9i n GLN 115 Cb 0.00 2.71 0.00 0.00 1.02 0.00 0.00 30.24 33.97 1u9i n GLN 115 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1u9i n GLU 116 N -0.54 1.67 -3.06 -1.09 -0.58 -1.26 -5.01 120.64 110.78 1u9i n GLU 116 Ca -0.08 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.25 1u9i n GLU 116 Cb 0.59 -0.14 -0.00 0.00 -0.57 0.00 0.00 31.44 31.31 1u9i n GLU 116 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1u9i n VAL 117 N 0.00 4.94 -0.93 2.62 0.31 -1.26 -3.95 118.33 120.06 1u9i n VAL 117 Ca 0.00 -5.85 0.00 0.00 -0.01 0.00 0.00 64.34 58.48 1u9i n VAL 117 Cb 0.00 -2.07 0.00 0.00 -0.91 0.00 0.00 33.84 30.86 1u9i n VAL 117 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1u9i n VAL 118 N 1.22 0.00 -1.73 2.52 0.31 -1.26 -4.90 118.33 114.48 1u9i n VAL 118 Ca 0.27 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.24 1u9i n VAL 118 Cb 0.34 0.42 0.05 0.00 -0.91 0.00 0.00 33.84 33.74 1u9i n VAL 118 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u9i n GLY 119 N 0.00 5.79 0.08 2.92 0.00 -1.25 -4.18 105.19 108.55 1u9i n GLY 119 Ca 0.00 -2.45 0.03 0.00 0.00 0.00 0.00 46.02 43.59 1u9i n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u9i n GLY 120 N -0.71 0.01 0.12 -0.02 0.00 -1.26 -4.39 105.19 98.94 1u9i n GLY 120 Ca 0.56 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.44 1u9i n GLY 120 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1u9i n PHE 121 N -0.60 0.03 0.00 1.61 3.01 -1.26 -5.03 117.46 115.22 1u9i n PHE 121 Ca 0.02 -0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1u9i n PHE 121 Cb 0.10 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 1u9i n PHE 121 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1u9i n ASP 122 N 0.04 0.00 -0.35 4.37 9.92 -1.26 -0.66 116.55 128.62 1u9i n ASP 122 Ca 0.02 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.34 1u9i n ASP 122 Cb 0.13 0.00 0.14 0.00 -0.64 0.00 0.00 41.12 40.75 1u9i n ASP 122 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1u9i n LEU 123 N 0.00 -0.33 0.09 0.64 -0.00 -1.26 -1.85 117.00 114.28 1u9i n LEU 123 Ca 0.00 1.66 -0.10 0.00 -0.00 0.00 0.00 56.01 57.57 1u9i n LEU 123 Cb 0.00 -0.51 -0.06 0.00 -0.00 0.00 0.00 43.42 42.85 1u9i n LEU 123 CO 0.00 -1.60 0.51 0.77 -0.00 0.00 0.00 177.39 177.07 1u9i h SER 124 N 0.00 -0.96 -0.75 1.96 4.64 -1.92 -1.10 113.55 115.42 1u9i h SER 124 Ca 0.47 0.10 0.08 0.00 -0.47 0.00 0.00 61.79 61.96 1u9i h SER 124 Cb 0.73 0.35 -0.06 0.00 -0.31 0.00 0.00 62.40 63.11 1u9i h SER 124 CO -0.99 -0.35 0.42 0.00 -0.87 0.00 0.00 176.83 175.04 1u9i h ALA 125 N -0.99 1.04 -0.66 5.18 0.00 -0.27 -1.86 119.26 121.70 1u9i h ALA 125 Ca -0.01 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1u9i h ALA 125 Cb 0.48 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1u9i h ALA 125 CO -0.15 0.08 0.40 1.25 0.00 0.00 0.00 179.25 180.83 1u9i h LEU 126 N 0.75 0.64 -1.86 0.00 5.85 -1.21 -0.31 115.31 119.18 1u9i h LEU 126 Ca 0.35 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.06 1u9i h LEU 126 Cb 0.27 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1u9i h LEU 126 CO -0.22 0.44 -0.07 0.40 -0.34 0.00 0.00 178.44 178.65 1u9i h ILE 127 N 0.78 1.05 -0.13 4.05 2.04 -0.38 -1.15 117.51 123.77 1u9i h ILE 127 Ca 0.27 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 1u9i h ILE 127 Cb 0.05 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1u9i h ILE 127 CO -0.12 0.07 -0.10 -0.33 0.00 0.00 0.00 178.15 177.67 1u9i h GLU 128 N 0.00 0.30 -0.53 2.37 5.08 -0.64 -1.94 114.58 119.23 1u9i h GLU 128 Ca -0.00 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1u9i h GLU 128 Cb 0.13 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1u9i h GLU 128 CO 0.01 0.67 0.35 0.00 -1.00 0.00 0.00 179.01 179.04 1u9i h ARG 129 N -0.07 0.68 -0.75 2.33 3.08 -0.57 0.45 114.38 119.53 1u9i h ARG 129 Ca 0.02 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1u9i h ARG 129 Cb 0.60 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1u9i h ARG 129 CO 0.03 0.45 0.31 0.82 -1.07 0.00 0.00 179.97 180.51 1u9i h ILE 130 N 0.70 1.25 -0.46 2.04 5.03 -1.25 0.23 117.51 125.06 1u9i h ILE 130 Ca 0.19 -0.77 -0.12 0.00 -0.12 0.00 0.00 64.86 64.04 1u9i h ILE 130 Cb -0.07 0.34 -0.01 0.00 -3.03 0.00 0.00 36.82 34.04 1u9i h ILE 130 CO -0.05 0.32 -0.20 -1.13 -0.68 0.00 0.00 178.15 176.41 1u9i h ASN 131 N 1.09 0.96 -0.09 1.72 -1.24 -0.80 -0.47 115.58 116.74 1u9i h ASN 131 Ca 0.25 -0.39 0.00 0.00 0.71 0.00 0.00 56.30 56.87 1u9i h ASN 131 Cb 0.19 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 38.97 1u9i h ASN 131 CO -0.02 1.14 0.06 0.22 -1.29 0.00 0.00 177.43 177.54 1u9i h TYR 132 N 0.78 0.12 -0.72 0.67 3.20 0.39 -2.38 116.97 119.02 1u9i h TYR 132 Ca 0.10 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1u9i h TYR 132 Cb 0.77 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.96 1u9i h TYR 132 CO 0.05 0.10 0.44 0.00 -1.64 0.00 0.00 178.16 177.12 1u9i h ALA 133 N 1.01 0.92 -0.59 1.82 0.00 -0.81 0.77 119.26 122.39 1u9i h ALA 133 Ca 0.03 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1u9i h ALA 133 Cb 0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 1u9i h ALA 133 CO -0.01 0.38 0.31 0.82 0.00 0.00 0.00 179.25 180.76 1u9i h ILE 134 N 0.99 0.96 -0.15 0.00 5.03 -0.87 0.01 117.51 123.48 1u9i h ILE 134 Ca 0.26 -0.20 -0.09 0.00 -0.12 0.00 0.00 64.86 64.71 1u9i h ILE 134 Cb -0.05 0.32 -0.00 0.00 -3.03 0.00 0.00 36.82 34.06 1u9i h ILE 134 CO -0.05 0.11 -0.25 1.56 -0.68 0.00 0.00 178.15 178.84 1u9i h GLN 135 N 0.59 0.43 -0.51 2.37 4.20 -1.10 0.22 115.11 121.31 1u9i h GLN 135 Ca 0.26 -0.26 0.10 0.00 0.06 0.00 0.00 58.65 58.80 1u9i h GLN 135 Cb 0.16 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 27.89 1u9i h GLN 135 CO -0.17 0.86 0.01 -0.22 -0.67 0.00 0.00 178.83 178.64 1u9i h LYS 136 N 0.05 0.13 -0.32 1.46 3.64 -0.33 -2.51 116.57 118.68 1u9i h LYS 136 Ca 0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1u9i h LYS 136 Cb 0.83 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1u9i h LYS 136 CO 0.06 0.08 0.00 0.66 -2.27 0.00 0.00 179.45 177.98 1u9i n TYR 137 N -5.22 0.41 -3.68 1.91 4.02 -0.06 -4.95 117.16 109.59 1u9i n TYR 137 Ca 0.06 -0.21 -0.22 0.00 -0.01 0.00 0.00 57.90 57.52 1u9i n TYR 137 Cb 0.27 -0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.63 1u9i n TYR 137 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1u9i n ARG 138 N 1.44 -5.39 -2.25 -0.72 1.74 0.49 -4.71 116.66 107.26 1u9i n ARG 138 Ca 0.18 0.66 -0.41 0.00 -0.77 0.00 0.00 57.85 57.51 1u9i n ARG 138 Cb 0.60 -5.35 -0.03 0.00 -1.02 0.00 0.00 32.46 26.65 1u9i n ARG 138 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1u9i s ALA 139 N -3.56 3.48 -0.15 7.54 0.00 0.30 -4.27 121.76 125.10 1u9i s ALA 139 Ca 0.11 1.12 0.05 0.00 0.00 0.00 0.00 51.96 53.24 1u9i s ALA 139 Cb -0.05 -3.43 -0.13 0.00 0.00 0.00 0.00 23.12 19.51 1u9i s ALA 139 CO 0.80 -0.47 -0.07 0.54 0.00 0.00 0.00 175.76 176.56 1u9i n ARG 140 N 1.31 1.02 -4.90 0.00 5.12 -0.28 -4.92 116.66 114.02 1u9i n ARG 140 Ca 0.01 0.05 -0.33 0.00 -1.93 0.00 0.00 57.85 55.66 1u9i n ARG 140 Cb 0.43 -1.33 -0.13 0.00 -1.16 0.00 0.00 32.46 30.27 1u9i n ARG 140 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1u9i s ARG 141 N -2.32 2.49 -0.00 5.56 0.52 -1.09 -2.69 118.95 121.42 1u9i s ARG 141 Ca -0.16 -0.70 0.01 0.00 -0.52 0.00 0.00 55.73 54.36 1u9i s ARG 141 Cb 0.05 -2.37 -0.01 0.00 0.52 0.00 0.00 34.95 33.15 1u9i s ARG 141 CO 0.43 0.62 -0.05 0.08 0.02 0.00 0.00 175.30 176.41 1u9i s VAL 142 N -0.73 0.38 -0.07 3.52 1.01 -0.50 -1.42 120.40 122.59 1u9i s VAL 142 Ca 0.12 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1u9i s VAL 142 Cb -0.11 -0.34 0.04 0.00 0.00 0.00 0.00 36.38 35.98 1u9i s VAL 142 CO 0.01 0.07 0.13 -0.94 0.00 0.00 0.00 175.10 174.36 1u9i s SER 143 N -0.23 0.71 -0.32 3.32 1.04 -0.92 -0.09 113.70 117.22 1u9i s SER 143 Ca 0.01 0.25 -0.13 0.00 0.48 0.00 0.00 55.95 56.56 1u9i s SER 143 Cb -0.02 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 1u9i s SER 143 CO -0.00 -0.23 0.26 -0.63 0.98 0.00 0.00 173.24 173.62 1u9i s ILE 144 N 2.06 5.26 -0.34 -1.02 1.01 0.57 -2.16 121.20 126.58 1u9i s ILE 144 Ca 0.02 -0.00 -0.20 0.00 0.00 0.00 0.00 60.65 60.46 1u9i s ILE 144 Cb -0.12 -3.68 -0.00 0.00 0.01 0.00 0.00 42.46 38.67 1u9i s ILE 144 CO -0.05 0.06 0.63 -0.62 0.00 0.00 0.00 174.94 174.95 1u9i s ASP 145 N 1.73 6.43 -0.72 3.58 3.68 0.09 -0.94 116.67 130.52 1u9i s ASP 145 Ca 0.08 0.19 -0.01 0.00 2.13 0.00 0.00 52.55 54.95 1u9i s ASP 145 Cb -0.17 -2.32 -0.01 0.00 -1.45 0.00 0.00 42.92 38.97 1u9i s ASP 145 CO 0.11 -0.56 0.67 -1.54 0.13 0.00 0.00 175.17 173.98 1u9i n SER 146 N 5.99 -7.34 0.12 -0.34 3.41 -1.18 -3.32 113.62 110.96 1u9i n SER 146 Ca -0.01 -0.12 -0.01 0.00 -0.26 0.00 0.00 58.87 58.46 1u9i n SER 146 Cb 0.49 -5.04 0.24 0.00 -0.26 0.00 0.00 64.21 59.64 1u9i n SER 146 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1u9i h VAL 147 N 0.30 1.33 -0.72 -3.33 -1.51 -1.66 -2.95 116.25 107.70 1u9i h VAL 147 Ca -0.05 -1.60 0.15 0.00 -1.23 0.00 0.00 66.70 63.98 1u9i h VAL 147 Cb 1.03 1.78 -0.13 0.00 -2.13 0.00 0.00 31.29 31.84 1u9i h VAL 147 CO 0.29 0.47 -0.09 0.74 -1.23 0.00 0.00 177.57 177.75 1u9i h THR 148 N 0.12 0.32 -0.15 7.19 2.02 -1.92 0.18 112.91 120.68 1u9i h THR 148 Ca 0.01 -0.02 0.04 0.00 0.77 0.00 0.00 66.41 67.21 1u9i h THR 148 Cb 0.85 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1u9i h THR 148 CO 0.07 0.01 0.14 0.77 0.37 0.00 0.00 175.52 176.87 1u9i h SER 149 N 0.04 0.00 0.73 4.18 4.64 -1.89 -2.82 113.55 118.44 1u9i h SER 149 Ca 0.37 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.65 1u9i h SER 149 Cb 0.61 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1u9i h SER 149 CO -0.69 0.00 -0.35 1.62 -0.87 0.00 0.00 176.83 176.54 1u9i h VAL 150 N 0.00 0.00 0.00 0.95 3.04 -1.09 -2.80 116.25 116.35 1u9i h VAL 150 Ca 0.07 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 1u9i h VAL 150 Cb 0.35 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.63 1u9i h VAL 150 CO -0.00 0.00 0.00 2.22 -1.01 0.00 0.00 177.57 178.78 1u9i n PHE 151 N -4.89 0.00 0.30 3.17 1.16 -1.21 -3.58 117.46 112.41 1u9i n PHE 151 Ca -0.12 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.46 1u9i n PHE 151 Cb 0.38 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.25 1u9i n PHE 151 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 1u9i n GLN 152 N -0.64 0.80 -0.12 3.97 1.13 -1.06 -3.02 117.38 118.45 1u9i n GLN 152 Ca 0.06 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.98 1u9i n GLN 152 Cb 0.03 -1.10 -0.14 0.00 0.11 0.00 0.00 30.24 29.14 1u9i n GLN 152 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1u9i n GLN 153 N 1.01 0.67 0.00 -1.09 6.02 -1.23 -4.96 117.38 117.80 1u9i n GLN 153 Ca 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1u9i n GLN 153 Cb 0.40 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.14 1u9i n GLN 153 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 1u9i n TYR 154 N -3.04 0.00 -4.42 1.08 0.18 -1.17 -5.19 117.16 104.61 1u9i n TYR 154 Ca -0.40 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.13 1u9i n TYR 154 Cb 1.06 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.93 1u9i n TYR 154 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1u9i s ASP 155 N 0.00 3.96 0.17 9.48 1.01 -1.22 -5.14 116.67 124.93 1u9i s ASP 155 Ca 0.00 -1.02 0.06 0.00 0.71 0.00 0.00 52.55 52.30 1u9i s ASP 155 Cb 0.00 -0.46 -0.04 0.00 1.01 0.00 0.00 42.92 43.43 1u9i s ASP 155 CO 0.00 -0.13 0.09 0.00 0.21 0.00 0.00 175.17 175.34 1u9i s ALA 156 N -2.52 3.45 0.34 5.23 0.00 -1.26 -4.99 121.76 122.01 1u9i s ALA 156 Ca 0.33 -1.27 0.13 0.00 0.00 0.00 0.00 51.96 51.15 1u9i s ALA 156 Cb -0.01 -1.24 1.09 0.00 0.00 0.00 0.00 23.12 22.95 1u9i s ALA 156 CO 0.18 0.49 1.59 0.66 0.00 0.00 0.00 175.76 178.68 1u9i h SER 157 N 2.50 0.06 -0.47 0.00 4.64 -2.00 0.45 113.55 118.73 1u9i h SER 157 Ca -0.47 0.25 -0.03 0.00 -0.47 0.00 0.00 61.79 61.07 1u9i h SER 157 Cb 1.20 0.32 -0.02 0.00 -0.31 0.00 0.00 62.40 63.60 1u9i h SER 157 CO 0.61 -0.36 0.17 0.77 -0.87 0.00 0.00 176.83 177.16 1u9i h SER 158 N 0.05 0.66 -0.49 4.97 4.64 -1.95 -2.39 113.55 119.05 1u9i h SER 158 Ca 0.74 -0.19 -0.07 0.00 -0.47 0.00 0.00 61.79 61.80 1u9i h SER 158 Cb 1.78 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.67 1u9i h SER 158 CO -0.79 0.67 0.05 0.58 -0.87 0.00 0.00 176.83 176.47 1u9i h VAL 159 N 0.62 1.25 -0.61 0.95 2.07 -1.32 -2.87 116.25 116.34 1u9i h VAL 159 Ca 0.15 -0.99 -0.08 0.00 0.82 0.00 0.00 66.70 66.61 1u9i h VAL 159 Cb 0.23 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1u9i h VAL 159 CO -0.01 0.36 0.07 0.58 0.02 0.00 0.00 177.57 178.58 1u9i h VAL 160 N 0.83 1.26 -0.59 2.57 2.07 -1.30 -2.89 116.25 118.20 1u9i h VAL 160 Ca 0.17 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 1u9i h VAL 160 Cb 0.43 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1u9i h VAL 160 CO 0.01 0.38 0.28 -0.09 0.02 0.00 0.00 177.57 178.17 1u9i h ARG 161 N 0.94 0.84 0.37 1.57 2.43 -1.20 -1.56 114.38 117.77 1u9i h ARG 161 Ca 0.18 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1u9i h ARG 161 Cb 0.45 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1u9i h ARG 161 CO 0.02 0.66 -0.18 0.00 -1.51 0.00 0.00 179.97 178.95 1u9i h ARG 162 N 0.84 -0.48 -0.42 0.20 3.08 -1.49 -1.84 114.38 114.26 1u9i h ARG 162 Ca 0.21 0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.38 1u9i h ARG 162 Cb 0.10 0.11 -0.09 0.00 0.08 0.00 0.00 29.97 30.17 1u9i h ARG 162 CO -0.03 -0.19 -0.21 0.93 -1.07 0.00 0.00 179.97 179.41 1u9i h GLU 163 N -1.00 -0.12 0.21 0.04 4.39 -1.46 0.44 114.58 117.08 1u9i h GLU 163 Ca -0.05 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1u9i h GLU 163 Cb 0.52 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1u9i h GLU 163 CO 0.08 -0.08 -0.18 -0.07 -1.16 0.00 0.00 179.01 177.60 1u9i h LEU 164 N -0.13 -0.47 -0.61 1.33 3.38 -1.37 -0.39 115.31 117.06 1u9i h LEU 164 Ca 0.20 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.32 1u9i h LEU 164 Cb 0.44 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 1u9i h LEU 164 CO -0.50 -0.27 0.17 0.15 0.09 0.00 0.00 178.44 178.07 1u9i h PHE 165 N -0.41 0.28 0.17 1.13 3.57 -0.50 0.30 116.94 121.48 1u9i h PHE 165 Ca -0.01 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1u9i h PHE 165 Cb 0.37 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1u9i h PHE 165 CO -0.13 0.01 -0.18 -0.09 -2.23 0.00 0.00 178.31 175.69 1u9i h ARG 166 N 0.31 -0.37 0.31 1.11 2.43 0.37 -1.37 114.38 117.17 1u9i h ARG 166 Ca 0.32 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1u9i h ARG 166 Cb 0.46 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 1u9i h ARG 166 CO -0.37 -0.25 -0.39 1.25 -1.51 0.00 0.00 179.97 178.70 1u9i h LEU 167 N -0.39 -1.09 -0.23 3.80 5.85 -0.45 -1.70 115.31 121.11 1u9i h LEU 167 Ca 0.01 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.88 1u9i h LEU 167 Cb 0.37 0.38 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 1u9i h LEU 167 CO -0.05 -0.52 -0.41 0.58 -0.34 0.00 0.00 178.44 177.70 1u9i h VAL 168 N -0.75 0.15 -0.49 1.05 2.07 -0.89 -1.31 116.25 116.09 1u9i h VAL 168 Ca -0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.59 1u9i h VAL 168 Cb 0.70 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 30.55 1u9i h VAL 168 CO -0.11 0.00 0.05 0.00 0.02 0.00 0.00 177.57 177.53 1u9i h ALA 169 N 0.28 0.51 -0.09 1.67 0.00 -1.16 0.47 119.26 120.95 1u9i h ALA 169 Ca 0.10 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1u9i h ALA 169 Cb 0.60 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1u9i h ALA 169 CO -0.45 -0.35 -0.00 0.00 0.00 0.00 0.00 179.25 178.44 1u9i h ARG 170 N 0.18 0.03 -0.16 0.00 2.47 -0.67 0.17 114.38 116.39 1u9i h ARG 170 Ca 0.25 -0.00 0.04 0.00 -1.26 0.00 0.00 59.98 59.00 1u9i h ARG 170 Cb 0.36 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 1u9i h ARG 170 CO -0.37 0.02 0.11 -0.07 0.56 0.00 0.00 179.97 180.22 1u9i h LEU 171 N 0.03 0.04 -0.13 3.04 3.38 -0.57 0.13 115.31 121.23 1u9i h LEU 171 Ca 0.04 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1u9i h LEU 171 Cb 0.05 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1u9i h LEU 171 CO -0.08 0.03 -0.12 0.50 0.09 0.00 0.00 178.44 178.86 1u9i h LYS 172 N 0.05 0.32 0.08 1.13 3.64 0.68 -1.43 116.57 121.04 1u9i h LYS 172 Ca 0.07 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1u9i h LYS 172 Cb 0.23 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1u9i h LYS 172 CO -0.01 0.70 -0.18 1.96 -2.27 0.00 0.00 179.45 179.66 1u9i h GLN 173 N -0.06 -0.32 -0.02 1.90 4.20 0.65 0.16 115.11 121.63 1u9i h GLN 173 Ca 0.02 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1u9i h GLN 173 Cb 0.64 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 1u9i h GLN 173 CO 0.03 -0.21 0.19 0.82 -0.67 0.00 0.00 178.83 178.98 1u9i h ILE 174 N -0.33 0.04 0.00 2.54 1.08 -0.74 -3.45 117.51 116.64 1u9i h ILE 174 Ca 0.03 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.50 1u9i h ILE 174 Cb 0.36 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 1u9i h ILE 174 CO -0.11 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 177.96 1u9i n GLY 175 N -1.18 0.63 3.77 5.37 0.00 0.04 -5.05 105.19 108.78 1u9i n GLY 175 Ca -0.02 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1u9i n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u9i s ALA 176 N -2.00 3.37 -0.36 4.61 0.00 -0.77 -4.32 121.76 122.29 1u9i s ALA 176 Ca 0.00 0.46 -0.21 0.00 0.00 0.00 0.00 51.96 52.20 1u9i s ALA 176 Cb 0.00 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 20.06 1u9i s ALA 176 CO 0.00 0.25 0.68 0.99 0.00 0.00 0.00 175.76 177.68 1u9i s THR 177 N -1.26 4.84 0.05 0.00 2.01 -1.10 -3.79 115.64 116.39 1u9i s THR 177 Ca 0.40 0.65 0.06 0.00 0.31 0.00 0.00 61.69 63.12 1u9i s THR 177 Cb -0.23 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.13 1u9i s THR 177 CO 0.27 -0.36 -0.14 -0.89 -0.69 0.00 0.00 174.62 172.81 1u9i s THR 178 N 2.82 3.08 -0.25 -0.82 2.01 -0.82 -1.41 115.64 120.24 1u9i s THR 178 Ca 0.26 -1.14 -0.01 0.00 0.31 0.00 0.00 61.69 61.11 1u9i s THR 178 Cb -0.14 -2.34 0.03 0.00 0.01 0.00 0.00 72.50 70.06 1u9i s THR 178 CO 0.16 0.29 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.63 1u9i s VAL 179 N -1.01 2.85 -0.15 3.82 1.01 0.87 0.68 120.40 128.47 1u9i s VAL 179 Ca 0.17 -1.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 1u9i s VAL 179 Cb -0.11 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1u9i s VAL 179 CO 0.08 0.16 -0.01 -0.04 0.00 0.00 0.00 175.10 175.29 1u9i s MET 180 N 1.31 3.62 -0.17 2.72 -1.94 0.31 -0.32 119.30 124.84 1u9i s MET 180 Ca -0.01 -0.46 -0.09 0.00 -1.71 0.00 0.00 55.69 53.43 1u9i s MET 180 Cb -0.17 -2.96 -0.05 0.00 2.01 0.00 0.00 34.83 33.66 1u9i s MET 180 CO -0.04 0.33 0.13 0.99 -0.01 0.00 0.00 175.02 176.42 1u9i s THR 181 N 0.14 5.39 0.20 2.05 2.01 -0.12 -0.30 115.64 125.01 1u9i s THR 181 Ca 0.01 0.18 0.06 0.00 0.31 0.00 0.00 61.69 62.24 1u9i s THR 181 Cb -0.13 -3.41 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 1u9i s THR 181 CO 0.02 0.51 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.48 1u9i s THR 182 N -0.21 1.46 0.05 -0.82 2.01 -0.35 -2.26 115.64 115.52 1u9i s THR 182 Ca 0.11 -2.13 0.07 0.00 0.31 0.00 0.00 61.69 60.05 1u9i s THR 182 Cb -0.11 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 1u9i s THR 182 CO 0.01 -0.55 -0.17 -1.83 -0.69 0.00 0.00 174.62 171.38 1u9i s GLU 183 N -3.72 2.05 0.36 4.92 -1.05 -1.26 -2.43 118.70 117.57 1u9i s GLU 183 Ca 0.23 -1.00 0.07 0.00 -0.15 0.00 0.00 54.97 54.12 1u9i s GLU 183 Cb 0.02 -2.20 -0.07 0.00 -0.44 0.00 0.00 34.13 31.44 1u9i s GLU 183 CO 0.06 0.53 -0.02 1.03 0.95 0.00 0.00 175.26 177.81 1u9i s ARG 184 N -1.57 1.82 0.00 -4.83 0.52 -0.74 -2.51 118.95 111.64 1u9i s ARG 184 Ca 0.15 -1.99 0.00 0.00 -0.52 0.00 0.00 55.73 53.38 1u9i s ARG 184 Cb -0.11 -1.48 0.00 0.00 0.52 0.00 0.00 34.95 33.88 1u9i s ARG 184 CO 0.06 -0.00 0.00 -0.89 0.02 0.00 0.00 175.30 174.49 1u9i n ILE 185 N -0.82 0.00 -5.20 1.52 2.08 -1.26 -4.18 119.36 111.49 1u9i n ILE 185 Ca -0.05 -0.01 -0.31 0.00 0.56 0.00 0.00 62.75 62.94 1u9i n ILE 185 Cb 0.65 0.49 -0.17 0.00 -0.75 0.00 0.00 39.64 39.86 1u9i n ILE 185 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1u9i s GLU 186 N -1.92 2.79 0.44 0.38 -6.30 -1.26 -5.03 118.70 107.81 1u9i s GLU 186 Ca 0.00 -0.87 0.12 0.00 -2.50 0.00 0.00 54.97 51.73 1u9i s GLU 186 Cb 0.00 -2.20 1.02 0.00 0.00 0.00 0.00 34.13 32.96 1u9i s GLU 186 CO 0.00 0.25 2.04 1.49 0.02 0.00 0.00 175.26 179.06 1u9i h GLU 187 N 6.48 0.37 0.00 4.30 4.57 -1.94 -3.08 114.58 125.27 1u9i h GLU 187 Ca -0.24 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1u9i h GLU 187 Cb 1.21 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1u9i h GLU 187 CO 0.47 0.24 0.00 0.66 -1.18 0.00 0.00 179.01 179.20 1u9i n TYR 188 N -4.48 0.00 0.00 0.92 4.02 -1.26 -4.97 117.16 111.39 1u9i n TYR 188 Ca 0.05 -0.34 0.00 0.00 -0.01 0.00 0.00 57.90 57.61 1u9i n TYR 188 Cb 0.22 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 1u9i n TYR 188 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u9i n GLY 189 N -0.34 0.83 3.71 2.72 0.00 -1.16 -4.98 105.19 105.96 1u9i n GLY 189 Ca 0.00 -1.36 -0.32 0.00 0.00 0.00 0.00 46.02 44.34 1u9i n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u9i s PRO 190 N 0.00 1.65 0.29 1.61 0.04 -1.26 -4.94 135.00 132.39 1u9i s PRO 190 Ca 0.00 1.55 0.06 0.00 0.04 0.00 0.00 61.00 62.65 1u9i s PRO 190 Cb 0.00 -1.80 0.42 0.00 0.04 0.00 0.00 34.50 33.17 1u9i s PRO 190 CO 0.00 -2.16 1.68 0.82 0.04 0.00 0.00 177.00 177.38 1u9i h ILE 191 N -1.18 1.31 -3.65 0.56 5.03 -1.93 -3.45 117.51 114.19 1u9i h ILE 191 Ca -0.45 -1.55 -0.08 0.00 -0.12 0.00 0.00 64.86 62.67 1u9i h ILE 191 Cb 1.27 1.69 -0.14 0.00 -3.03 0.00 0.00 36.82 36.61 1u9i h ILE 191 CO 0.46 0.46 -0.28 0.00 -0.68 0.00 0.00 178.15 178.11 1u9i s ALA 192 N -4.13 -0.45 0.17 1.87 0.00 -1.26 -4.72 121.76 113.24 1u9i s ALA 192 Ca -0.05 -0.41 -0.17 0.00 0.00 0.00 0.00 51.96 51.33 1u9i s ALA 192 Cb 0.13 0.52 0.13 0.00 0.00 0.00 0.00 23.12 23.91 1u9i s ALA 192 CO 0.78 -0.53 1.26 0.54 0.00 0.00 0.00 175.76 177.81 1u9i n ARG 193 N -0.04 -0.23 -0.29 0.00 1.74 -1.04 -1.15 116.66 115.65 1u9i n ARG 193 Ca -0.16 1.25 0.08 0.00 -0.77 0.00 0.00 57.85 58.25 1u9i n ARG 193 Cb 0.62 -1.85 0.23 0.00 -1.02 0.00 0.00 32.46 30.44 1u9i n ARG 193 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1u9i n TYR 194 N -5.15 0.74 -4.29 -1.55 4.02 -1.26 -4.93 117.16 104.73 1u9i n TYR 194 Ca 0.07 -0.35 -0.37 0.00 -0.01 0.00 0.00 57.90 57.23 1u9i n TYR 194 Cb 0.30 -0.03 -0.04 0.00 -0.02 0.00 0.00 39.34 39.54 1u9i n TYR 194 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u9i n GLY 195 N 1.24 -0.40 0.00 2.72 0.00 -0.30 -4.71 105.19 103.74 1u9i n GLY 195 Ca 0.17 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1u9i n GLY 195 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u9i n VAL 196 N -4.32 0.00 -0.36 1.61 0.31 -1.26 -4.85 118.33 109.46 1u9i n VAL 196 Ca 0.03 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1u9i n VAL 196 Cb 0.51 -0.12 0.15 0.00 -0.91 0.00 0.00 33.84 33.46 1u9i n VAL 196 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1u9i h GLU 197 N 0.00 1.23 -0.71 5.55 3.07 -1.92 -2.95 114.58 118.86 1u9i h GLU 197 Ca 0.00 -0.07 0.13 0.00 -0.50 0.00 0.00 59.36 58.91 1u9i h GLU 197 Cb 0.13 -0.28 -0.13 0.00 -0.84 0.00 0.00 28.75 27.63 1u9i h GLU 197 CO 0.00 0.82 -0.30 0.93 -1.40 0.00 0.00 179.01 179.06 1u9i h GLU 198 N 1.27 -0.08 0.00 2.33 3.07 -1.94 -1.77 114.58 117.45 1u9i h GLU 198 Ca 0.38 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 1u9i h GLU 198 Cb -0.04 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 1u9i h GLU 198 CO -0.11 -0.06 0.00 0.74 -1.40 0.00 0.00 179.01 178.19 1u9i h PHE 199 N -0.09 0.00 0.02 4.33 0.04 -1.88 -3.29 116.94 116.07 1u9i h PHE 199 Ca 0.29 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.81 1u9i h PHE 199 Cb 0.56 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.68 1u9i h PHE 199 CO -0.66 0.00 -1.35 0.28 -0.60 0.00 0.00 178.31 175.98 1u9i h VAL 200 N 0.00 1.30 -4.30 -0.55 2.07 -1.26 -3.46 116.25 110.05 1u9i h VAL 200 Ca 0.00 -3.06 -0.50 0.00 0.82 0.00 0.00 66.70 63.96 1u9i h VAL 200 Cb 0.83 2.67 0.04 0.00 -1.52 0.00 0.00 31.29 33.31 1u9i h VAL 200 CO 0.00 0.76 0.40 -0.44 0.02 0.00 0.00 177.57 178.32 1u9i s SER 201 N -6.50 6.37 0.01 0.57 0.01 -0.95 -4.95 113.70 108.26 1u9i s SER 201 Ca -0.03 1.48 0.08 0.00 1.31 0.00 0.00 55.95 58.80 1u9i s SER 201 Cb 0.09 -2.49 -0.23 0.00 0.21 0.00 0.00 66.02 63.60 1u9i s SER 201 CO 0.83 -0.77 0.88 0.44 0.41 0.00 0.00 173.24 175.03 1u9i h ASP 202 N 0.15 0.06 -4.29 2.44 3.32 -1.87 -3.46 116.42 112.77 1u9i h ASP 202 Ca -0.45 -0.10 -0.50 0.00 0.02 0.00 0.00 57.03 56.00 1u9i h ASP 202 Cb 1.19 -0.02 -0.27 0.00 0.22 0.00 0.00 39.33 40.45 1u9i h ASP 202 CO 0.62 1.08 -0.82 0.20 -1.72 0.00 0.00 179.24 178.61 1u9i s ASN 203 N -6.44 1.94 -0.05 6.45 0.01 -1.19 -1.57 114.94 114.09 1u9i s ASN 203 Ca -0.04 -0.41 0.02 0.00 -0.71 0.00 0.00 52.86 51.72 1u9i s ASN 203 Cb 0.08 -0.17 0.01 0.00 0.41 0.00 0.00 41.25 41.59 1u9i s ASN 203 CO 0.83 0.12 -0.10 -0.69 -1.51 0.00 0.00 177.10 175.74 1u9i s VAL 204 N -0.67 0.97 -0.06 1.60 1.01 -0.47 -0.55 120.40 122.23 1u9i s VAL 204 Ca 0.05 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1u9i s VAL 204 Cb -0.07 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.43 1u9i s VAL 204 CO 0.01 0.31 -0.12 -0.69 0.00 0.00 0.00 175.10 174.61 1u9i s VAL 205 N 0.57 1.10 -0.15 2.92 1.01 0.16 -0.97 120.40 125.04 1u9i s VAL 205 Ca -0.11 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1u9i s VAL 205 Cb -0.14 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 1u9i s VAL 205 CO 0.02 0.35 -0.14 -0.63 0.00 0.00 0.00 175.10 174.70 1u9i s ILE 206 N 0.59 2.80 -0.25 2.22 1.01 0.81 -1.23 121.20 127.14 1u9i s ILE 206 Ca -0.13 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 59.71 1u9i s ILE 206 Cb -0.15 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1u9i s ILE 206 CO 0.03 0.51 0.10 -0.76 0.00 0.00 0.00 174.94 174.83 1u9i s LEU 207 N 0.70 3.65 0.08 2.97 1.43 0.11 -0.82 118.68 126.80 1u9i s LEU 207 Ca -0.07 -0.11 0.08 0.00 -1.03 0.00 0.00 54.13 52.99 1u9i s LEU 207 Cb -0.16 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1u9i s LEU 207 CO 0.02 -0.01 -0.16 -0.13 0.23 0.00 0.00 176.35 176.30 1u9i s ARG 208 N 1.49 2.00 -0.56 1.70 0.52 0.63 -4.14 118.95 120.59 1u9i s ARG 208 Ca 0.06 -1.05 0.06 0.00 -0.52 0.00 0.00 55.73 54.28 1u9i s ARG 208 Cb -0.15 -2.20 0.21 0.00 0.52 0.00 0.00 34.95 33.33 1u9i s ARG 208 CO 0.05 0.52 0.54 -1.71 0.02 0.00 0.00 175.30 174.72 1u9i n ASN 209 N 1.11 1.91 -4.72 0.23 4.05 -1.26 -0.69 115.26 115.89 1u9i n ASN 209 Ca -0.15 -3.00 -0.42 0.00 0.45 0.00 0.00 54.58 51.46 1u9i n ASN 209 Cb 0.52 -0.66 -0.03 0.00 1.23 0.00 0.00 39.78 40.84 1u9i n ASN 209 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1u9i s VAL 210 N -1.39 3.94 0.00 3.44 1.01 -0.32 -4.76 120.40 122.32 1u9i s VAL 210 Ca 0.33 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.78 1u9i s VAL 210 Cb 0.08 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1u9i s VAL 210 CO -0.12 0.16 0.00 -0.11 0.00 0.00 0.00 175.10 175.03 1u9i n LEU 211 N 3.43 0.00 -2.33 3.92 7.94 -1.26 -0.51 117.00 128.18 1u9i n LEU 211 Ca 0.07 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.94 1u9i n LEU 211 Cb 0.46 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.39 1u9i n LEU 211 CO 0.55 0.00 -0.45 1.21 -1.11 0.00 0.00 177.39 177.59 1u9i n GLU 212 N 0.00 -3.10 -2.86 1.96 0.00 -1.25 -4.19 120.64 111.19 1u9i n GLU 212 Ca 0.00 2.51 -0.12 0.00 0.00 0.00 0.00 57.16 59.55 1u9i n GLU 212 Cb 0.00 -4.07 0.03 0.00 0.00 0.00 0.00 31.44 27.40 1u9i n GLU 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1u9i n GLY 213 N 0.99 0.09 3.49 8.31 0.00 -1.26 -3.26 105.19 113.55 1u9i n GLY 213 Ca -0.21 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1u9i n GLY 213 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u9i n GLU 214 N -2.69 -0.10 -4.16 1.61 1.02 -1.26 -4.98 120.64 110.08 1u9i n GLU 214 Ca -0.03 0.02 -0.26 0.00 -0.02 0.00 0.00 57.16 56.87 1u9i n GLU 214 Cb 0.55 -3.69 -0.07 0.00 -0.02 0.00 0.00 31.44 28.21 1u9i n GLU 214 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1u9i s ARG 215 N -0.62 2.63 -0.06 3.49 1.81 -1.20 -5.12 118.95 119.87 1u9i s ARG 215 Ca 0.00 -1.03 0.04 0.00 -1.72 0.00 0.00 55.73 53.02 1u9i s ARG 215 Cb 0.00 -2.47 -0.02 0.00 -0.45 0.00 0.00 34.95 32.01 1u9i s ARG 215 CO 0.00 0.46 -0.18 1.03 -0.68 0.00 0.00 175.30 175.93 1u9i s ARG 216 N -3.11 2.60 -0.13 3.54 1.81 -1.26 -3.91 118.95 118.49 1u9i s ARG 216 Ca 0.29 -0.76 -0.00 0.00 -1.72 0.00 0.00 55.73 53.54 1u9i s ARG 216 Cb -0.09 -2.34 0.03 0.00 -0.45 0.00 0.00 34.95 32.10 1u9i s ARG 216 CO 0.21 0.51 -0.09 0.50 -0.68 0.00 0.00 175.30 175.75 1u9i s ARG 217 N -0.45 1.69 -0.04 3.54 3.52 0.33 -4.95 118.95 122.58 1u9i s ARG 217 Ca 0.05 -0.35 -0.20 0.00 -0.13 0.00 0.00 55.73 55.10 1u9i s ARG 217 Cb -0.12 -1.75 -0.05 0.00 -1.56 0.00 0.00 34.95 31.47 1u9i s ARG 217 CO 0.02 -0.28 0.56 1.03 -0.81 0.00 0.00 175.30 175.82 1u9i s ARG 218 N 1.65 4.31 0.05 5.12 0.52 -1.26 -1.18 118.95 128.17 1u9i s ARG 218 Ca 0.04 0.65 0.02 0.00 -0.52 0.00 0.00 55.73 55.92 1u9i s ARG 218 Cb -0.13 -3.37 -0.03 0.00 0.52 0.00 0.00 34.95 31.94 1u9i s ARG 218 CO -0.09 0.29 -0.08 0.95 0.02 0.00 0.00 175.30 176.40 1u9i s THR 219 N 0.11 0.56 0.03 0.02 -4.23 0.13 -1.22 115.64 111.05 1u9i s THR 219 Ca 0.30 -1.20 0.09 0.00 -1.18 0.00 0.00 61.69 59.70 1u9i s THR 219 Cb -0.17 -0.76 -0.03 0.00 1.34 0.00 0.00 72.50 72.88 1u9i s THR 219 CO 0.15 -0.45 -0.25 -0.22 -0.54 0.00 0.00 174.62 173.31 1u9i s LEU 220 N -1.78 2.20 -0.02 4.79 0.20 0.70 -0.27 118.68 124.50 1u9i s LEU 220 Ca -0.07 -0.54 -0.01 0.00 0.69 0.00 0.00 54.13 54.21 1u9i s LEU 220 Cb -0.08 -1.33 0.02 0.00 -0.43 0.00 0.00 46.19 44.37 1u9i s LEU 220 CO -0.00 0.28 0.04 -0.70 -0.29 0.00 0.00 176.35 175.67 1u9i s GLU 221 N -1.10 0.00 -0.50 1.98 2.12 0.00 -0.75 118.70 120.46 1u9i s GLU 221 Ca 0.12 0.15 -0.17 0.00 0.36 0.00 0.00 54.97 55.42 1u9i s GLU 221 Cb -0.10 -0.13 0.08 0.00 0.26 0.00 0.00 34.13 34.23 1u9i s GLU 221 CO 0.02 -0.10 0.50 0.42 -0.54 0.00 0.00 175.26 175.56 1u9i s ILE 222 N 0.65 5.09 0.14 -3.70 1.01 -1.26 -0.13 121.20 122.99 1u9i s ILE 222 Ca -0.05 -0.93 0.16 0.00 0.00 0.00 0.00 60.65 59.82 1u9i s ILE 222 Cb -0.08 -4.23 0.07 0.00 0.01 0.00 0.00 42.46 38.23 1u9i s ILE 222 CO -0.02 -0.73 1.64 0.25 0.00 0.00 0.00 174.94 176.08 1u9i h LEU 223 N 9.16 0.00 -7.00 2.97 6.46 -1.42 -3.42 115.31 122.06 1u9i h LEU 223 Ca -0.28 0.00 0.20 0.00 -0.12 0.00 0.00 57.88 57.68 1u9i h LEU 223 Cb 1.10 0.00 -0.27 0.00 -0.73 0.00 0.00 40.66 40.77 1u9i h LEU 223 CO 0.94 0.48 0.86 -1.59 -0.62 0.00 0.00 178.44 178.51 1u9i s LYS 224 N -3.46 0.18 -0.34 1.25 -2.85 -1.19 -4.95 119.74 108.39 1u9i s LYS 224 Ca 0.00 0.05 -0.00 0.00 -1.00 0.00 0.00 55.97 55.03 1u9i s LYS 224 Cb 0.11 0.09 0.14 0.00 -2.06 0.00 0.00 37.83 36.10 1u9i s LYS 224 CO 0.72 -0.06 0.24 -0.51 0.10 0.00 0.00 175.35 175.84 1u9i s LEU 225 N -0.98 0.59 -0.24 2.77 1.43 -1.26 -1.37 118.68 119.62 1u9i s LEU 225 Ca 0.06 -1.80 -0.41 0.00 -1.03 0.00 0.00 54.13 50.95 1u9i s LEU 225 Cb -0.01 -0.13 -0.17 0.00 0.03 0.00 0.00 46.19 45.92 1u9i s LEU 225 CO -0.06 -0.33 1.63 0.54 0.23 0.00 0.00 176.35 178.36 1u9i n ARG 226 N 4.39 0.93 0.00 1.70 1.74 -0.61 -2.09 116.66 122.72 1u9i n ARG 226 Ca 0.08 0.34 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 1u9i n ARG 226 Cb 0.40 -1.98 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 1u9i n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u9i n GLY 227 N 3.80 3.22 1.67 -0.13 0.00 -1.26 -5.00 105.19 107.48 1u9i n GLY 227 Ca 0.26 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 1u9i n GLY 227 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1u9i n THR 228 N -1.00 0.00 -3.10 2.61 -2.24 -0.89 -4.72 114.28 104.94 1u9i n THR 228 Ca 0.00 -1.22 -0.18 0.00 -2.27 0.00 0.00 64.05 60.38 1u9i n THR 228 Cb 0.00 0.52 0.02 0.00 -2.10 0.00 0.00 70.33 68.77 1u9i n THR 228 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1u9i s SER 229 N -2.23 5.41 0.01 3.42 1.04 -1.26 -4.68 113.70 115.41 1u9i s SER 229 Ca 0.15 -0.60 -0.29 0.00 0.48 0.00 0.00 55.95 55.68 1u9i s SER 229 Cb 0.01 -0.34 0.11 0.00 0.10 0.00 0.00 66.02 65.90 1u9i s SER 229 CO 0.11 -0.93 1.16 -1.38 0.98 0.00 0.00 173.24 173.18 1u9i s HIS 230 N -2.47 -0.09 0.24 5.02 -3.43 -1.26 -4.58 115.29 108.72 1u9i s HIS 230 Ca 0.56 -0.06 -0.30 0.00 -0.80 0.00 0.00 55.06 54.46 1u9i s HIS 230 Cb -0.08 0.57 -0.09 0.00 -1.43 0.00 0.00 32.58 31.55 1u9i s HIS 230 CO 0.34 -0.44 0.95 -1.64 -2.00 0.00 0.00 174.74 171.95 1u9i s MET 231 N -2.70 4.85 0.37 -0.38 -1.94 0.15 -5.01 119.30 114.64 1u9i s MET 231 Ca 0.13 1.50 -0.00 0.00 -1.71 0.00 0.00 55.69 55.61 1u9i s MET 231 Cb 0.02 -3.28 -0.03 0.00 2.01 0.00 0.00 34.83 33.55 1u9i s MET 231 CO -0.03 0.50 0.59 0.15 -0.01 0.00 0.00 175.02 176.23 1u9i s LYS 232 N -1.19 3.47 0.51 2.03 3.01 -1.26 -4.56 119.74 121.76 1u9i s LYS 232 Ca 0.41 -0.26 0.00 0.00 -1.01 0.00 0.00 55.97 55.11 1u9i s LYS 232 Cb -0.26 -2.61 0.00 0.00 -1.01 0.00 0.00 37.83 33.94 1u9i s LYS 232 CO 0.32 0.07 0.00 0.41 0.51 0.00 0.00 175.35 176.67 1u9i n GLY 233 N -1.87 -2.26 3.84 -3.33 0.00 -1.26 -4.95 105.19 95.36 1u9i n GLY 233 Ca -0.04 -1.58 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 1u9i n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u9i s GLU 234 N -0.37 3.94 -0.05 1.61 2.02 -1.26 -4.22 118.70 120.37 1u9i s GLU 234 Ca 0.00 0.42 0.03 0.00 0.02 0.00 0.00 54.97 55.44 1u9i s GLU 234 Cb 0.00 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.17 1u9i s GLU 234 CO 0.00 0.58 -0.13 0.71 0.02 0.00 0.00 175.26 176.43 1u9i s TYR 235 N -1.30 1.44 0.48 1.61 1.51 0.07 -4.91 117.35 116.25 1u9i s TYR 235 Ca 0.32 -0.45 -0.22 0.00 -1.01 0.00 0.00 57.07 55.71 1u9i s TYR 235 Cb -0.16 -1.01 -0.07 0.00 -0.11 0.00 0.00 41.96 40.61 1u9i s TYR 235 CO 0.17 -0.19 1.16 -1.25 -1.11 0.00 0.00 175.55 174.33 1u9i s PRO 236 N 0.30 3.67 0.08 -1.71 0.04 -1.26 -0.21 135.00 135.91 1u9i s PRO 236 Ca -0.08 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 62.59 1u9i s PRO 236 Cb -0.12 -2.32 0.01 0.00 0.04 0.00 0.00 34.50 32.11 1u9i s PRO 236 CO 0.02 -0.61 0.25 -0.59 0.04 0.00 0.00 177.00 176.11 1u9i s PHE 237 N -1.60 0.03 0.08 0.56 -0.12 -0.36 -2.54 117.98 114.03 1u9i s PHE 237 Ca 0.66 -0.36 0.07 0.00 -0.05 0.00 0.00 56.93 57.25 1u9i s PHE 237 Cb -0.27 0.03 -0.03 0.00 -0.63 0.00 0.00 43.02 42.11 1u9i s PHE 237 CO 0.33 -0.55 -0.20 0.99 -0.05 0.00 0.00 175.22 175.74 1u9i s THR 238 N -3.43 1.59 -0.30 -4.49 2.01 -0.01 -4.28 115.64 106.73 1u9i s THR 238 Ca 0.01 -1.37 -0.09 0.00 0.31 0.00 0.00 61.69 60.56 1u9i s THR 238 Cb 0.03 -1.43 -0.01 0.00 0.01 0.00 0.00 72.50 71.10 1u9i s THR 238 CO -0.09 0.01 0.13 -0.63 -0.69 0.00 0.00 174.62 173.36 1u9i s ILE 239 N -1.03 4.47 0.00 1.82 1.01 -1.26 -1.07 121.20 125.14 1u9i s ILE 239 Ca 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.26 1u9i s ILE 239 Cb -0.09 -3.27 -0.00 0.00 0.01 0.00 0.00 42.46 39.11 1u9i s ILE 239 CO 0.03 0.09 0.00 0.35 0.00 0.00 0.00 174.94 175.41 1u9i n THR 240 N 4.96 0.00 0.28 2.92 -2.24 -0.65 -4.93 114.28 114.61 1u9i n THR 240 Ca -0.14 -0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.76 1u9i n THR 240 Cb 0.49 0.00 0.79 0.00 -2.10 0.00 0.00 70.33 69.51 1u9i n THR 240 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1u9i h ASP 241 N 0.00 0.00 -0.46 3.42 3.32 -1.96 0.37 116.42 121.12 1u9i h ASP 241 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1u9i h ASP 241 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1u9i h ASP 241 CO 0.00 0.04 0.00 1.41 -1.72 0.00 0.00 179.24 178.97 1u9i n HIS 242 N -4.00 1.47 -3.74 4.55 8.25 -1.26 -4.11 115.22 116.38 1u9i n HIS 242 Ca -0.03 -0.53 0.00 0.00 -0.26 0.00 0.00 57.72 56.90 1u9i n HIS 242 Cb 0.13 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 30.88 1u9i n HIS 242 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u9i n GLY 243 N 0.63 -1.46 3.71 -1.41 0.00 0.12 -4.87 105.19 101.91 1u9i n GLY 243 Ca 0.21 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 1u9i n GLY 243 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u9i s ILE 244 N 0.00 2.70 -0.10 -0.61 1.01 -1.26 -1.64 121.20 121.29 1u9i s ILE 244 Ca 0.00 0.46 -0.01 0.00 0.00 0.00 0.00 60.65 61.10 1u9i s ILE 244 Cb 0.00 -3.29 0.03 0.00 0.01 0.00 0.00 42.46 39.21 1u9i s ILE 244 CO 0.00 0.03 -0.04 0.21 0.00 0.00 0.00 174.94 175.14 1u9i s ASN 245 N 1.36 2.03 -0.04 3.58 2.47 -0.24 -4.19 114.94 119.91 1u9i s ASN 245 Ca 0.71 -0.27 0.05 0.00 0.42 0.00 0.00 52.86 53.77 1u9i s ASN 245 Cb -0.43 -0.68 -0.02 0.00 -1.45 0.00 0.00 41.25 38.67 1u9i s ASN 245 CO 0.31 -0.16 -0.17 -0.63 -3.72 0.00 0.00 177.10 172.73 1u9i s ILE 246 N 1.81 2.79 -0.39 -5.21 1.01 -0.63 -0.83 121.20 119.76 1u9i s ILE 246 Ca 0.04 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 59.83 1u9i s ILE 246 Cb -0.13 -2.07 0.10 0.00 0.01 0.00 0.00 42.46 40.37 1u9i s ILE 246 CO -0.07 0.59 0.18 -0.36 0.00 0.00 0.00 174.94 175.28 1u9i s PHE 247 N -0.68 3.51 -1.37 3.97 0.40 -1.05 -4.09 117.98 118.67 1u9i s PHE 247 Ca 0.11 -2.23 -0.14 0.00 -0.60 0.00 0.00 56.93 54.07 1u9i s PHE 247 Cb -0.11 -3.03 0.08 0.00 0.51 0.00 0.00 43.02 40.48 1u9i s PHE 247 CO 0.00 -0.93 2.00 -2.30 0.70 0.00 0.00 175.22 174.69 1u9i n PRO 248 N 4.64 3.13 0.23 0.24 -0.02 -1.26 -4.38 135.00 137.57 1u9i n PRO 248 Ca -0.05 -3.03 0.17 0.00 -2.02 0.00 0.00 63.50 58.58 1u9i n PRO 248 Cb 0.42 -3.23 0.75 0.00 -0.02 0.00 0.00 33.50 31.42 1u9i n PRO 248 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1u9i h LEU 249 N 9.98 0.00 -1.62 2.45 3.38 -1.95 0.94 115.31 128.48 1u9i h LEU 249 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1u9i h LEU 249 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1u9i h LEU 249 CO 1.70 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.84 1u9i n GLY 250 N -1.35 0.84 0.15 0.83 0.00 -1.26 -3.87 105.19 100.54 1u9i n GLY 250 Ca 0.02 -0.57 0.08 0.00 0.00 0.00 0.00 46.02 45.56 1u9i n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u9i n ALA 251 N 0.85 3.83 -2.24 4.61 0.00 0.32 -4.93 120.51 122.95 1u9i n ALA 251 Ca 0.17 -0.51 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 1u9i n ALA 251 Cb 0.46 -0.61 -0.03 0.00 0.00 0.00 0.00 19.45 19.28 1u9i n ALA 251 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1u9i s MET 252 N -2.37 4.26 0.40 0.00 0.00 -1.18 -4.99 119.30 115.42 1u9i s MET 252 Ca 0.09 1.92 -0.20 0.00 0.00 0.00 0.00 55.69 57.51 1u9i s MET 252 Cb 0.13 -3.67 -0.10 0.00 0.00 0.00 0.00 34.83 31.19 1u9i s MET 252 CO 0.59 -0.63 0.90 1.03 0.00 0.00 0.00 175.02 176.91 1u9i s ARG 253 N 2.81 4.20 -1.45 4.11 0.52 -1.26 -4.96 118.95 122.93 1u9i s ARG 253 Ca 0.63 1.03 -0.08 0.00 -0.52 0.00 0.00 55.73 56.79 1u9i s ARG 253 Cb -0.29 -2.29 0.04 0.00 0.52 0.00 0.00 34.95 32.93 1u9i s ARG 253 CO 0.25 0.04 2.59 -0.11 0.02 0.00 0.00 175.30 178.09 1u9i n LEU 254 N -0.48 8.27 -2.50 2.53 7.94 -1.26 -4.50 117.00 127.00 1u9i n LEU 254 Ca 0.06 -4.66 -0.16 0.00 -1.11 0.00 0.00 56.01 50.14 1u9i n LEU 254 Cb 0.54 -1.45 0.02 0.00 0.53 0.00 0.00 43.42 43.06 1u9i n LEU 254 CO 0.39 2.02 0.06 0.41 -1.11 0.00 0.00 177.39 179.16 1u9i n THR 255 N 2.59 1.81 -2.57 1.96 -1.04 -1.26 -5.09 114.28 110.68 1u9i n THR 255 Ca 0.68 -3.85 -0.34 0.00 -2.04 0.00 0.00 64.05 58.50 1u9i n THR 255 Cb 0.25 -0.18 -0.04 0.00 -1.82 0.00 0.00 70.33 68.53 1u9i n THR 255 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1u9i s GLN 256 N -3.50 3.91 0.28 -2.82 -1.52 -1.26 -5.01 119.66 109.74 1u9i s GLN 256 Ca 0.39 1.36 -0.25 0.00 -1.95 0.00 0.00 55.36 54.91 1u9i s GLN 256 Cb 0.40 -2.18 -0.09 0.00 -0.22 0.00 0.00 33.01 30.92 1u9i s GLN 256 CO -0.04 -0.34 0.88 1.03 -0.25 0.00 0.00 175.29 176.57 1u9i s ARG 257 N -3.09 4.54 0.03 2.91 0.52 -1.26 -5.02 118.95 117.58 1u9i s ARG 257 Ca 0.65 1.23 0.04 0.00 -0.52 0.00 0.00 55.73 57.13 1u9i s ARG 257 Cb -0.17 -2.91 -0.02 0.00 0.52 0.00 0.00 34.95 32.37 1u9i s ARG 257 CO 0.20 0.36 -0.13 0.45 0.02 0.00 0.00 175.30 176.20 1u9i s SER 258 N -1.53 1.56 0.21 0.23 0.15 -1.26 -4.89 113.70 108.16 1u9i s SER 258 Ca 0.46 -0.44 -0.02 0.00 0.70 0.00 0.00 55.95 56.65 1u9i s SER 258 Cb -0.19 -0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 63.98 1u9i s SER 258 CO 0.24 0.03 0.18 -0.94 1.20 0.00 0.00 173.24 173.94 1u9i s SER 259 N -1.08 0.13 0.00 5.45 1.04 -1.26 -5.04 113.70 112.94 1u9i s SER 259 Ca 0.01 -1.33 0.22 0.00 0.48 0.00 0.00 55.95 55.32 1u9i s SER 259 Cb -0.08 0.41 0.33 0.00 0.10 0.00 0.00 66.02 66.78 1u9i s SER 259 CO 0.01 -0.88 1.31 0.59 0.98 0.00 0.00 173.24 175.25 1u9i n ASN 260 N -0.30 3.19 -4.77 7.02 3.02 -1.26 -4.65 115.26 117.52 1u9i n ASN 260 Ca 0.02 -1.95 -0.39 0.00 -0.03 0.00 0.00 54.58 52.22 1u9i n ASN 260 Cb 0.65 -0.16 0.01 0.00 -0.61 0.00 0.00 39.78 39.67 1u9i n ASN 260 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1u9i s VAL 261 N -1.55 2.37 0.34 2.41 1.01 -1.26 -4.91 120.40 118.81 1u9i s VAL 261 Ca 0.33 0.32 0.07 0.00 0.00 0.00 0.00 61.98 62.70 1u9i s VAL 261 Cb 0.20 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1u9i s VAL 261 CO 0.29 0.04 0.34 -0.13 0.00 0.00 0.00 175.10 175.64 1u9i s ARG 262 N -2.42 2.81 0.03 2.72 1.81 -1.26 -1.19 118.95 121.45 1u9i s ARG 262 Ca 0.60 -1.24 -0.14 0.00 -1.72 0.00 0.00 55.73 53.23 1u9i s ARG 262 Cb -0.40 -2.55 0.02 0.00 -0.45 0.00 0.00 34.95 31.57 1u9i s ARG 262 CO 0.51 0.07 0.31 0.08 -0.68 0.00 0.00 175.30 175.59 1u9i s VAL 263 N -2.28 0.08 0.49 3.52 1.01 0.54 -4.66 120.40 119.09 1u9i s VAL 263 Ca 0.42 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 1u9i s VAL 263 Cb -0.07 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 1u9i s VAL 263 CO 0.28 -0.35 0.85 -0.55 0.00 0.00 0.00 175.10 175.32 1u9i s SER 264 N -1.94 6.38 0.00 3.32 0.15 -1.26 -1.53 113.70 118.81 1u9i s SER 264 Ca -0.06 1.15 0.23 0.00 0.70 0.00 0.00 55.95 57.98 1u9i s SER 264 Cb -0.02 -2.34 0.23 0.00 -1.71 0.00 0.00 66.02 62.18 1u9i s SER 264 CO -0.02 -0.58 1.22 -1.54 1.20 0.00 0.00 173.24 173.52 1u9i n SER 265 N -1.97 0.69 0.00 5.45 3.41 -1.26 -4.82 113.62 115.13 1u9i n SER 265 Ca 0.03 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.10 1u9i n SER 265 Cb 0.54 0.53 0.00 0.00 -0.26 0.00 0.00 64.21 65.03 1u9i n SER 265 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u9i n GLY 266 N 1.50 0.42 2.88 5.00 0.00 -1.26 -3.02 105.19 110.70 1u9i n GLY 266 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1u9i n GLY 266 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u9i s VAL 267 N -2.14 1.41 0.15 1.61 1.01 -1.26 -4.90 120.40 116.28 1u9i s VAL 267 Ca 0.00 -1.48 -0.27 0.00 0.00 0.00 0.00 61.98 60.23 1u9i s VAL 267 Cb 0.00 -1.90 -0.00 0.00 0.00 0.00 0.00 36.38 34.48 1u9i s VAL 267 CO 0.00 -0.41 1.57 0.58 0.00 0.00 0.00 175.10 176.85 1u9i h VAL 268 N 6.59 0.11 -0.86 2.92 2.07 -1.97 -0.72 116.25 124.39 1u9i h VAL 268 Ca -0.13 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.54 1u9i h VAL 268 Cb 1.04 0.11 -0.10 0.00 -1.52 0.00 0.00 31.29 30.83 1u9i h VAL 268 CO 0.45 0.00 0.44 -0.09 0.02 0.00 0.00 177.57 178.39 1u9i h ARG 269 N -0.32 0.60 -0.22 1.57 9.65 -1.97 0.43 114.38 124.11 1u9i h ARG 269 Ca 0.14 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 1u9i h ARG 269 Cb 0.58 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 1u9i h ARG 269 CO -0.58 0.39 0.14 1.25 2.80 0.00 0.00 179.97 183.97 1u9i h LEU 270 N 0.61 0.26 -0.95 3.80 6.46 -1.62 -0.61 115.31 123.27 1u9i h LEU 270 Ca 0.47 -0.02 0.15 0.00 -0.12 0.00 0.00 57.88 58.36 1u9i h LEU 270 Cb 0.69 -0.07 -0.09 0.00 -0.73 0.00 0.00 40.66 40.46 1u9i h LEU 270 CO -0.37 0.20 0.56 0.44 -0.62 0.00 0.00 178.44 178.65 1u9i h ASP 271 N 0.29 0.76 0.13 1.25 3.32 0.28 0.38 116.42 122.83 1u9i h ASP 271 Ca 0.08 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1u9i h ASP 271 Cb -0.02 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1u9i h ASP 271 CO -0.02 0.35 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.46 1u9i h GLU 272 N 0.81 -0.17 -0.10 3.56 5.08 -0.15 0.48 114.58 124.10 1u9i h GLU 272 Ca 0.51 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.91 1u9i h GLU 272 Cb 0.65 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1u9i h GLU 272 CO -0.33 -0.04 0.11 0.52 -1.00 0.00 0.00 179.01 178.27 1u9i h MET 273 N -0.26 0.00 -0.56 2.33 2.86 0.38 0.27 114.93 119.96 1u9i h MET 273 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1u9i h MET 273 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1u9i h MET 273 CO 0.03 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.00 1u9i n GLY 275 N 0.97 -0.02 0.00 0.00 0.00 0.95 -3.98 105.19 103.10 1u9i n GLY 275 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1u9i n GLY 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u9i n GLY 276 N -1.36 1.20 0.00 -0.02 0.00 0.13 -4.88 105.19 100.26 1u9i n GLY 276 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1u9i n GLY 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u9i n GLY 277 N -1.57 1.18 3.79 -0.02 0.00 0.11 -4.61 105.19 104.06 1u9i n GLY 277 Ca 0.00 -2.02 -0.31 0.00 0.00 0.00 0.00 46.02 43.69 1u9i n GLY 277 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u9i s PHE 278 N -1.83 2.78 0.27 1.61 2.99 -0.58 -4.74 117.98 118.49 1u9i s PHE 278 Ca 0.00 1.36 -0.12 0.00 0.00 0.00 0.00 56.93 58.17 1u9i s PHE 278 Cb 0.00 -3.03 -0.08 0.00 0.00 0.00 0.00 43.02 39.91 1u9i s PHE 278 CO 0.00 -1.69 0.64 -0.06 -0.00 0.00 0.00 175.22 174.11 1u9i s PHE 279 N -3.02 3.40 0.04 0.36 2.99 -1.26 -0.34 117.98 120.16 1u9i s PHE 279 Ca 0.60 1.04 -0.27 0.00 0.00 0.00 0.00 56.93 58.30 1u9i s PHE 279 Cb -0.15 -2.39 -0.17 0.00 0.00 0.00 0.00 43.02 40.30 1u9i s PHE 279 CO 0.55 0.19 1.48 -0.22 -0.00 0.00 0.00 175.22 177.22 1u9i h LYS 280 N 2.43 -0.39 -5.22 0.44 3.64 -1.42 -3.26 116.57 112.78 1u9i h LYS 280 Ca -0.47 0.03 -0.71 0.00 -1.27 0.00 0.00 60.65 58.22 1u9i h LYS 280 Cb 1.17 0.09 -0.14 0.00 -0.41 0.00 0.00 32.23 32.95 1u9i h LYS 280 CO 0.67 -0.15 1.72 -0.51 -2.27 0.00 0.00 179.45 178.91 1u9i s ASP 281 N -4.97 6.98 0.05 4.20 1.01 -1.26 -3.79 116.67 118.89 1u9i s ASP 281 Ca -0.15 -2.77 -0.27 0.00 0.71 0.00 0.00 52.55 50.08 1u9i s ASP 281 Cb 0.03 -2.48 0.08 0.00 1.01 0.00 0.00 42.92 41.57 1u9i s ASP 281 CO 0.61 -0.93 0.69 -0.94 0.21 0.00 0.00 175.17 174.81 1u9i s SER 282 N 3.42 -0.56 -0.29 0.27 1.04 -1.23 -4.74 113.70 111.61 1u9i s SER 282 Ca 0.48 0.24 -0.02 0.00 0.48 0.00 0.00 55.95 57.13 1u9i s SER 282 Cb 0.00 0.53 0.05 0.00 0.10 0.00 0.00 66.02 66.70 1u9i s SER 282 CO 0.03 -0.77 -0.01 -0.63 0.98 0.00 0.00 173.24 172.84 1u9i s ILE 283 N -2.72 2.97 -0.11 -1.02 1.01 -1.26 -2.51 121.20 117.55 1u9i s ILE 283 Ca -0.02 -1.34 -0.11 0.00 0.00 0.00 0.00 60.65 59.18 1u9i s ILE 283 Cb -0.01 -2.68 -0.05 0.00 0.01 0.00 0.00 42.46 39.74 1u9i s ILE 283 CO -0.05 -0.07 0.24 -0.63 0.00 0.00 0.00 174.94 174.44 1u9i s ILE 284 N 1.26 5.33 -0.11 2.92 -1.09 0.55 -1.52 121.20 128.55 1u9i s ILE 284 Ca -0.05 0.44 0.01 0.00 -2.23 0.00 0.00 60.65 58.83 1u9i s ILE 284 Cb -0.19 -3.54 -0.01 0.00 -1.58 0.00 0.00 42.46 37.14 1u9i s ILE 284 CO -0.01 0.54 -0.16 -0.22 -1.23 0.00 0.00 174.94 173.86 1u9i s LEU 285 N -0.57 2.56 -0.26 2.97 2.96 0.17 -0.28 118.68 126.24 1u9i s LEU 285 Ca 0.17 -0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1u9i s LEU 285 Cb -0.13 -1.55 0.03 0.00 0.50 0.00 0.00 46.19 45.04 1u9i s LEU 285 CO 0.06 0.19 -0.05 0.00 -1.32 0.00 0.00 176.35 175.23 1u9i s ALA 286 N 0.19 2.72 0.15 5.97 0.00 -0.00 0.31 121.76 131.09 1u9i s ALA 286 Ca -0.09 -1.56 0.10 0.00 0.00 0.00 0.00 51.96 50.40 1u9i s ALA 286 Cb -0.16 -1.74 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1u9i s ALA 286 CO 0.06 -0.96 -0.20 0.99 0.00 0.00 0.00 175.76 175.64 1u9i s THR 287 N 1.29 2.66 0.00 0.00 2.01 -0.70 -0.70 115.64 120.20 1u9i s THR 287 Ca -0.02 -1.71 0.00 0.00 0.31 0.00 0.00 61.69 60.27 1u9i s THR 287 Cb -0.18 -2.24 0.00 0.00 0.01 0.00 0.00 72.50 70.09 1u9i s THR 287 CO -0.04 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.51 1u9i n GLY 288 N 0.57 1.89 3.56 4.40 0.00 -0.88 -0.47 105.19 114.25 1u9i n GLY 288 Ca -0.15 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 1u9i n GLY 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u9i s ALA 289 N -2.00 -0.02 0.72 4.61 0.00 -1.26 -2.12 121.76 121.70 1u9i s ALA 289 Ca 0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 51.96 51.56 1u9i s ALA 289 Cb 0.00 -3.18 0.03 0.00 0.00 0.00 0.00 23.12 19.97 1u9i s ALA 289 CO 0.00 -3.52 1.17 -0.08 0.00 0.00 0.00 175.76 173.32 1u9i s THR 290 N -2.66 2.64 0.00 0.00 -1.32 -1.26 -2.73 115.64 110.30 1u9i s THR 290 Ca 0.67 0.30 0.00 0.00 -1.21 0.00 0.00 61.69 61.45 1u9i s THR 290 Cb -0.23 -2.81 0.00 0.00 -1.51 0.00 0.00 72.50 67.96 1u9i s THR 290 CO 0.62 -0.18 0.00 0.61 -2.21 0.00 0.00 174.62 173.46 1u9i n GLY 291 N 0.02 2.93 0.27 6.08 0.00 -1.26 -4.88 105.19 108.35 1u9i n GLY 291 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.17 1u9i n GLY 291 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1u9i h THR 292 N 0.00 1.13 0.00 2.61 1.35 -1.86 -3.47 112.91 112.68 1u9i h THR 292 Ca 0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1u9i h THR 292 Cb 0.00 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 1u9i h THR 292 CO 0.00 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.05 1u9i n GLY 293 N -1.17 1.51 0.16 5.82 0.00 -1.26 -4.94 105.19 105.31 1u9i n GLY 293 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 1u9i n GLY 293 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u9i h LYS 294 N 0.00 -0.32 -0.25 1.61 6.56 -1.91 -1.92 116.57 120.34 1u9i h LYS 294 Ca 0.00 0.02 0.07 0.00 -1.06 0.00 0.00 60.65 59.68 1u9i h LYS 294 Cb 0.00 0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.72 1u9i h LYS 294 CO 0.00 -0.22 0.22 0.00 -2.06 0.00 0.00 179.45 177.40 1u9i h THR 295 N -0.34 0.62 -0.06 -0.16 1.03 -1.97 -0.08 112.91 111.94 1u9i h THR 295 Ca -0.03 0.00 -0.15 0.00 -0.01 0.00 0.00 66.41 66.22 1u9i h THR 295 Cb 0.26 0.83 0.01 0.00 -1.07 0.00 0.00 68.15 68.18 1u9i h THR 295 CO 0.06 0.00 -0.55 0.25 -0.01 0.00 0.00 175.52 175.27 1u9i h LEU 296 N 0.00 0.59 -0.67 0.00 5.85 -1.83 -2.44 115.31 116.81 1u9i h LEU 296 Ca 0.12 -0.68 0.02 0.00 0.84 0.00 0.00 57.88 58.18 1u9i h LEU 296 Cb 0.56 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1u9i h LEU 296 CO -0.00 1.19 0.43 -0.07 -0.34 0.00 0.00 178.44 179.64 1u9i h LEU 297 N 0.05 0.71 0.11 2.25 3.38 -0.31 -1.57 115.31 119.93 1u9i h LEU 297 Ca -0.05 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1u9i h LEU 297 Cb 1.22 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 1u9i h LEU 297 CO 0.11 0.50 -0.21 0.58 0.09 0.00 0.00 178.44 179.51 1u9i h VAL 298 N 0.85 0.52 -0.19 1.22 2.07 -1.19 0.20 116.25 119.73 1u9i h VAL 298 Ca 0.26 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.82 1u9i h VAL 298 Cb -0.02 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.20 1u9i h VAL 298 CO -0.09 0.00 -0.54 0.28 0.02 0.00 0.00 177.57 177.24 1u9i h SER 299 N -0.40 -1.74 -0.99 0.57 0.02 -1.07 0.17 113.55 110.10 1u9i h SER 299 Ca 0.03 0.21 0.20 0.00 -0.84 0.00 0.00 61.79 61.39 1u9i h SER 299 Cb 0.42 0.69 -0.10 0.00 0.14 0.00 0.00 62.40 63.55 1u9i h SER 299 CO -0.12 -0.47 0.62 -0.09 -1.14 0.00 0.00 176.83 175.62 1u9i h ARG 300 N -0.55 0.66 -0.40 3.45 9.65 -0.92 0.14 114.38 126.41 1u9i h ARG 300 Ca 0.04 -0.04 -0.13 0.00 -1.10 0.00 0.00 59.98 58.76 1u9i h ARG 300 Cb 0.67 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.08 1u9i h ARG 300 CO -0.47 0.44 -0.25 0.35 2.80 0.00 0.00 179.97 182.84 1u9i h PHE 301 N 0.68 0.95 -0.24 2.20 3.57 0.11 -2.51 116.94 121.70 1u9i h PHE 301 Ca 0.56 -0.23 -0.20 0.00 3.53 0.00 0.00 57.97 61.64 1u9i h PHE 301 Cb 0.99 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.51 1u9i h PHE 301 CO -0.00 0.99 -0.61 0.28 -2.23 0.00 0.00 178.31 176.73 1u9i h VAL 302 N 0.71 1.28 -0.02 1.41 2.07 0.11 -3.18 116.25 118.64 1u9i h VAL 302 Ca 0.09 -1.80 -0.07 0.00 0.82 0.00 0.00 66.70 65.74 1u9i h VAL 302 Cb 0.79 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1u9i h VAL 302 CO 0.07 0.58 -0.31 -0.08 0.02 0.00 0.00 177.57 177.84 1u9i h GLU 303 N 0.62 0.03 0.00 1.57 4.81 -0.77 -2.83 114.58 118.01 1u9i h GLU 303 Ca -0.01 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1u9i h GLU 303 Cb 1.23 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1u9i h GLU 303 CO 0.13 0.34 -0.28 -0.97 -0.73 0.00 0.00 179.01 177.51 1u9i h ASN 304 N 0.03 0.00 0.34 1.04 -0.73 -1.42 -1.79 115.58 113.04 1u9i h ASN 304 Ca 0.00 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 57.97 1u9i h ASN 304 Cb 0.57 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.16 1u9i h ASN 304 CO 0.04 0.28 -0.85 0.00 -0.37 0.00 0.00 177.43 176.53 1u9i h ALA 305 N 1.72 0.48 0.02 1.57 0.00 -1.55 -3.12 119.26 118.38 1u9i h ALA 305 Ca -0.00 -0.67 -0.25 0.00 0.00 0.00 0.00 54.91 53.98 1u9i h ALA 305 Cb 0.69 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1u9i h ALA 305 CO 0.04 0.81 -1.03 0.00 0.00 0.00 0.00 179.25 179.06 1u9i h ALA 307 N 0.55 1.45 -0.37 0.00 0.00 -1.34 0.58 119.26 120.13 1u9i h ALA 307 Ca -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1u9i h ALA 307 Cb 1.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1u9i h ALA 307 CO 0.19 -0.13 0.00 0.09 0.00 0.00 0.00 179.25 179.40 1u9i n ASN 308 N -3.53 4.26 -3.61 0.00 3.02 -1.15 -4.97 115.26 109.27 1u9i n ASN 308 Ca -0.01 -2.85 -0.29 0.00 -0.03 0.00 0.00 54.58 51.40 1u9i n ASN 308 Cb 0.18 -0.55 0.05 0.00 -0.61 0.00 0.00 39.78 38.86 1u9i n ASN 308 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1u9i n LYS 309 N -0.02 -1.40 -4.32 3.52 5.02 0.20 -5.01 118.16 116.15 1u9i n LYS 309 Ca 0.22 0.52 -0.18 0.00 -2.02 0.00 0.00 58.31 56.85 1u9i n LYS 309 Cb 0.91 -4.39 -0.14 0.00 -0.02 0.00 0.00 35.03 31.39 1u9i n LYS 309 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1u9i s GLU 310 N -5.73 0.79 0.21 1.97 2.02 0.21 -4.98 118.70 113.19 1u9i s GLU 310 Ca 0.47 -0.58 -0.29 0.00 0.02 0.00 0.00 54.97 54.59 1u9i s GLU 310 Cb -0.15 -0.75 -0.08 0.00 0.10 0.00 0.00 34.13 33.24 1u9i s GLU 310 CO 0.84 0.19 0.91 1.03 0.02 0.00 0.00 175.26 178.25 1u9i s ARG 311 N -0.82 4.79 -0.04 1.61 0.52 -1.26 -3.57 118.95 120.18 1u9i s ARG 311 Ca 0.01 1.42 -0.03 0.00 -0.52 0.00 0.00 55.73 56.60 1u9i s ARG 311 Cb -0.06 -3.29 0.01 0.00 0.52 0.00 0.00 34.95 32.13 1u9i s ARG 311 CO 0.00 0.50 0.10 0.00 0.02 0.00 0.00 175.30 175.93 1u9i s ALA 312 N -1.06 -0.25 -0.08 2.13 0.00 -0.15 0.18 121.76 122.53 1u9i s ALA 312 Ca 0.40 0.32 -0.00 0.00 0.00 0.00 0.00 51.96 52.68 1u9i s ALA 312 Cb -0.25 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1u9i s ALA 312 CO 0.31 -0.06 -0.06 0.42 0.00 0.00 0.00 175.76 176.37 1u9i s ILE 313 N 0.15 3.79 -0.48 0.00 1.01 -0.86 -1.56 121.20 123.24 1u9i s ILE 313 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1u9i s ILE 313 Cb -0.02 -2.57 0.13 0.00 0.01 0.00 0.00 42.46 40.01 1u9i s ILE 313 CO -0.00 0.59 0.25 -0.22 0.00 0.00 0.00 174.94 175.56 1u9i s LEU 314 N -0.66 4.92 -0.48 2.97 2.96 0.12 -1.56 118.68 126.96 1u9i s LEU 314 Ca 0.10 -2.53 -0.28 0.00 -0.22 0.00 0.00 54.13 51.19 1u9i s LEU 314 Cb -0.11 -1.75 0.03 0.00 0.50 0.00 0.00 46.19 44.85 1u9i s LEU 314 CO 0.02 -0.38 1.11 -0.36 -1.32 0.00 0.00 176.35 175.41 1u9i s PHE 315 N 0.40 2.82 -0.17 5.38 0.40 -0.20 -2.23 117.98 124.38 1u9i s PHE 315 Ca 0.13 0.65 -0.07 0.00 -0.60 0.00 0.00 56.93 57.05 1u9i s PHE 315 Cb -0.22 -4.38 -0.04 0.00 0.51 0.00 0.00 43.02 38.89 1u9i s PHE 315 CO -0.04 -1.26 0.04 0.00 0.70 0.00 0.00 175.22 174.66 1u9i s ALA 316 N 4.38 3.33 0.00 5.36 0.00 -1.26 -1.25 121.76 132.32 1u9i s ALA 316 Ca 0.46 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1u9i s ALA 316 Cb -0.07 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.20 1u9i s ALA 316 CO 0.31 0.20 0.83 0.66 0.00 0.00 0.00 175.76 177.76 1u9i n TYR 317 N 3.50 0.00 0.00 0.00 4.02 -1.24 -1.76 117.16 121.67 1u9i n TYR 317 Ca -0.17 -0.34 0.00 0.00 -0.01 0.00 0.00 57.90 57.38 1u9i n TYR 317 Cb 0.52 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.81 1u9i n TYR 317 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1u9i n GLU 318 N -0.34 2.35 -4.51 -0.72 1.02 -1.26 -4.48 120.64 112.70 1u9i n GLU 318 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1u9i n GLU 318 Cb 0.19 -0.81 -0.12 0.00 -0.02 0.00 0.00 31.44 30.67 1u9i n GLU 318 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1u9i s GLU 319 N -1.63 1.82 0.88 3.49 2.02 -1.26 -5.13 118.70 118.89 1u9i s GLU 319 Ca 0.00 -1.13 -0.11 0.00 0.02 0.00 0.00 54.97 53.74 1u9i s GLU 319 Cb 0.00 -2.09 0.12 0.00 0.10 0.00 0.00 34.13 32.26 1u9i s GLU 319 CO 0.00 0.50 1.09 -1.54 0.02 0.00 0.00 175.26 175.33 1u9i s SER 320 N -1.79 3.60 0.31 -0.19 1.04 -1.26 -4.82 113.70 110.60 1u9i s SER 320 Ca 0.15 1.51 -0.01 0.00 0.48 0.00 0.00 55.95 58.09 1u9i s SER 320 Cb -0.10 -2.20 0.48 0.00 0.10 0.00 0.00 66.02 64.30 1u9i s SER 320 CO 0.07 -2.56 1.95 0.03 0.98 0.00 0.00 173.24 173.71 1u9i h ARG 321 N -1.49 0.97 -0.08 4.02 3.08 -1.96 -1.99 114.38 116.92 1u9i h ARG 321 Ca -0.49 -0.09 -0.14 0.00 0.07 0.00 0.00 59.98 59.33 1u9i h ARG 321 Cb 1.28 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 31.13 1u9i h ARG 321 CO 0.54 0.68 -0.51 0.00 -1.07 0.00 0.00 179.97 179.62 1u9i h ALA 322 N 1.48 0.18 -0.18 0.04 0.00 -2.00 -3.11 119.26 115.67 1u9i h ALA 322 Ca 0.26 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1u9i h ALA 322 Cb -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1u9i h ALA 322 CO -0.05 0.37 0.11 0.37 0.00 0.00 0.00 179.25 180.05 1u9i h GLN 323 N 0.07 0.24 -0.84 0.00 4.15 -1.88 -0.62 115.11 116.23 1u9i h GLN 323 Ca -0.04 -0.02 0.19 0.00 0.77 0.00 0.00 58.65 59.54 1u9i h GLN 323 Cb 1.16 -0.05 -0.11 0.00 0.21 0.00 0.00 27.48 28.69 1u9i h GLN 323 CO 0.10 0.20 0.34 -0.07 -1.93 0.00 0.00 178.83 177.48 1u9i h LEU 324 N 0.22 0.28 -0.67 -2.39 3.38 -1.44 0.21 115.31 114.90 1u9i h LEU 324 Ca 0.06 0.14 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 1u9i h LEU 324 Cb 0.02 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1u9i h LEU 324 CO -0.01 0.04 0.09 -0.07 0.09 0.00 0.00 178.44 178.57 1u9i h LEU 325 N 0.41 1.08 0.82 1.67 3.38 -1.27 -0.57 115.31 120.83 1u9i h LEU 325 Ca 0.49 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 1u9i h LEU 325 Cb 0.87 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 41.34 1u9i h LEU 325 CO -0.49 1.08 -0.39 -0.09 0.09 0.00 0.00 178.44 178.64 1u9i h ARG 326 N 1.04 -1.06 -0.70 1.13 2.43 0.85 -1.59 114.38 116.48 1u9i h ARG 326 Ca 0.20 0.07 0.07 0.00 -0.81 0.00 0.00 59.98 59.51 1u9i h ARG 326 Cb 0.47 0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 1u9i h ARG 326 CO 0.02 -0.71 0.46 -0.91 -1.51 0.00 0.00 179.97 177.32 1u9i h ASN 327 N -1.23 0.61 -0.34 -3.80 2.35 -1.08 -0.42 115.58 111.67 1u9i h ASN 327 Ca -0.11 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.56 1u9i h ASN 327 Cb 0.85 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 1u9i h ASN 327 CO 0.19 0.39 -0.11 0.00 -1.65 0.00 0.00 177.43 176.25 1u9i h ALA 328 N 1.63 0.47 -0.25 -0.83 0.00 -1.08 -2.61 119.26 116.59 1u9i h ALA 328 Ca 0.30 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1u9i h ALA 328 Cb 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1u9i h ALA 328 CO -0.10 0.34 -0.10 -0.92 0.00 0.00 0.00 179.25 178.47 1u9i h TYR 329 N 0.46 0.42 0.00 0.00 3.20 -0.52 -0.66 116.97 119.87 1u9i h TYR 329 Ca 0.08 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1u9i h TYR 329 Cb 0.62 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.78 1u9i h TYR 329 CO 0.05 0.49 0.00 0.43 -1.64 0.00 0.00 178.16 177.50 1u9i n SER 330 N -4.25 0.02 -0.83 -2.11 7.64 -0.24 -1.40 113.62 112.46 1u9i n SER 330 Ca 0.00 0.51 0.07 0.00 1.01 0.00 0.00 58.87 60.46 1u9i n SER 330 Cb 0.28 -0.51 0.22 0.00 -1.01 0.00 0.00 64.21 63.20 1u9i n SER 330 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1u9i n TRP 331 N -1.53 0.78 0.00 1.43 8.01 -0.28 -4.43 117.44 121.43 1u9i n TRP 331 Ca 0.04 -0.71 0.00 0.00 -1.31 0.00 0.00 57.50 55.52 1u9i n TRP 331 Cb 0.20 -0.20 0.00 0.00 -2.01 0.00 0.00 31.31 29.31 1u9i n TRP 331 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1u9i n GLY 332 N -0.02 1.45 0.00 6.99 0.00 -0.49 -4.29 105.19 108.83 1u9i n GLY 332 Ca 0.18 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1u9i n GLY 332 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1u9i n MET 333 N 5.11 0.00 -3.11 1.61 0.00 -1.26 -3.62 117.12 115.85 1u9i n MET 333 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.27 1u9i n MET 333 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.16 1u9i n MET 333 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1u9i s ASP 334 N 0.00 6.28 0.38 3.17 -1.08 -1.26 -3.57 116.67 120.59 1u9i s ASP 334 Ca 0.00 -0.56 0.19 0.00 -0.52 0.00 0.00 52.55 51.66 1u9i s ASP 334 Cb 0.00 -2.32 0.70 0.00 -1.46 0.00 0.00 42.92 39.84 1u9i s ASP 334 CO 0.00 -0.86 1.74 -0.26 0.52 0.00 0.00 175.17 176.32 1u9i h PHE 335 N 8.96 0.00 -0.18 -5.34 0.05 -1.88 -3.26 116.94 115.29 1u9i h PHE 335 Ca -0.26 0.00 0.05 0.00 3.82 0.00 0.00 57.97 61.58 1u9i h PHE 335 Cb 1.09 0.00 -0.07 0.00 2.00 0.00 0.00 35.95 38.98 1u9i h PHE 335 CO 0.75 0.37 -0.31 0.93 -0.18 0.00 0.00 178.31 179.87 1u9i h GLU 336 N 0.00 -0.35 -0.24 1.51 4.39 -1.94 -2.32 114.58 115.62 1u9i h GLU 336 Ca -0.00 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.73 1u9i h GLU 336 Cb 0.88 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 1u9i h GLU 336 CO 0.05 -0.23 0.15 0.93 -1.16 0.00 0.00 179.01 178.74 1u9i h GLU 337 N -0.36 0.30 -0.94 2.33 4.39 -2.00 -2.72 114.58 115.57 1u9i h GLU 337 Ca 0.11 -0.02 0.23 0.00 0.34 0.00 0.00 59.36 60.02 1u9i h GLU 337 Cb 0.53 -0.07 -0.17 0.00 -0.10 0.00 0.00 28.75 28.94 1u9i h GLU 337 CO -0.38 0.20 -0.04 0.52 -1.16 0.00 0.00 179.01 178.15 1u9i h MET 338 N 0.31 0.02 0.07 2.33 2.86 -1.49 0.24 114.93 119.27 1u9i h MET 338 Ca 0.09 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1u9i h MET 338 Cb -0.02 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1u9i h MET 338 CO -0.03 0.02 -0.03 0.93 1.06 0.00 0.00 176.91 178.85 1u9i h GLU 339 N 0.03 -0.09 0.02 1.72 5.08 -1.17 -1.34 114.58 118.83 1u9i h GLU 339 Ca 0.53 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.93 1u9i h GLU 339 Cb 1.01 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.23 1u9i h GLU 339 CO -0.89 0.33 -0.39 0.00 -1.00 0.00 0.00 179.01 177.05 1u9i h ARG 340 N -0.52 -0.54 0.00 2.33 3.08 -0.91 0.22 114.38 118.04 1u9i h ARG 340 Ca -0.01 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1u9i h ARG 340 Cb 0.45 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1u9i h ARG 340 CO 0.02 -0.36 0.00 1.04 -1.07 0.00 0.00 179.97 179.60 1u9i n GLN 341 N -5.44 0.00 -3.83 0.04 6.02 -0.07 -4.75 117.38 109.35 1u9i n GLN 341 Ca -0.06 0.02 -0.28 0.00 -0.01 0.00 0.00 57.00 56.67 1u9i n GLN 341 Cb 0.36 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.16 1u9i n GLN 341 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1u9i n ASN 342 N -0.96 -5.21 -0.01 1.08 4.13 0.78 -4.86 115.26 110.21 1u9i n ASN 342 Ca 0.00 -0.72 0.03 0.00 1.68 0.00 0.00 54.58 55.58 1u9i n ASN 342 Cb 0.00 -4.20 -0.07 0.00 -1.54 0.00 0.00 39.78 33.98 1u9i n ASN 342 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1u9i n LEU 343 N -4.77 0.00 -3.94 3.41 4.77 -0.71 -4.89 117.00 110.87 1u9i n LEU 343 Ca 0.03 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.80 1u9i n LEU 343 Cb 0.54 0.02 -0.16 0.00 -2.33 0.00 0.00 43.42 41.49 1u9i n LEU 343 CO 0.73 0.02 -0.42 -0.22 -1.33 0.00 0.00 177.39 176.16 1u9i s LEU 344 N -3.70 1.51 -0.12 2.23 1.98 -0.59 -0.98 118.68 119.02 1u9i s LEU 344 Ca -0.03 -0.17 0.02 0.00 -2.89 0.00 0.00 54.13 51.06 1u9i s LEU 344 Cb 0.05 -0.53 0.01 0.00 0.66 0.00 0.00 46.19 46.38 1u9i s LEU 344 CO 0.35 -0.01 -0.19 -0.75 -1.89 0.00 0.00 176.35 173.87 1u9i s LYS 345 N 0.67 2.58 -0.13 1.98 2.20 -0.60 -3.90 119.74 122.54 1u9i s LYS 345 Ca -0.10 -0.70 -0.04 0.00 -0.36 0.00 0.00 55.97 54.77 1u9i s LYS 345 Cb -0.13 -2.12 -0.03 0.00 -1.51 0.00 0.00 37.83 34.04 1u9i s LYS 345 CO 0.01 -0.02 0.00 0.42 -0.36 0.00 0.00 175.35 175.40 1u9i s ILE 346 N 0.86 4.28 0.00 5.43 1.01 -1.26 -0.70 121.20 130.81 1u9i s ILE 346 Ca -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.33 1u9i s ILE 346 Cb -0.15 -2.85 0.00 0.00 0.01 0.00 0.00 42.46 39.46 1u9i s ILE 346 CO -0.01 0.53 0.00 0.52 0.00 0.00 0.00 174.94 175.99 1u9i n VAL 347 N 2.94 0.00 -0.72 2.92 0.31 -0.95 -4.97 118.33 117.87 1u9i n VAL 347 Ca -0.18 0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1u9i n VAL 347 Cb 0.53 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 1u9i n VAL 347 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u9i s ALA 349 N -0.21 -2.07 0.12 0.00 0.00 -0.72 -4.95 121.76 113.93 1u9i s ALA 349 Ca 0.00 1.79 -0.30 0.00 0.00 0.00 0.00 51.96 53.45 1u9i s ALA 349 Cb 0.00 -1.31 -0.06 0.00 0.00 0.00 0.00 23.12 21.75 1u9i s ALA 349 CO 0.00 -0.25 0.98 0.71 0.00 0.00 0.00 175.76 177.20 1u9i s TYR 350 N -0.92 3.79 0.47 0.00 1.51 -1.26 -4.28 117.35 116.66 1u9i s TYR 350 Ca 0.05 1.77 0.24 0.00 -1.01 0.00 0.00 57.07 58.13 1u9i s TYR 350 Cb -0.01 -3.08 1.27 0.00 -0.11 0.00 0.00 41.96 40.02 1u9i s TYR 350 CO -0.06 0.09 1.86 -1.35 -1.11 0.00 0.00 175.55 174.99 1u9i h PRO 351 N 5.48 0.22 0.00 -1.71 0.11 -1.86 0.42 132.00 134.65 1u9i h PRO 351 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1u9i h PRO 351 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1u9i h PRO 351 CO 0.72 0.14 0.00 0.39 -0.21 0.00 0.00 178.00 179.04 1u9i n GLU 352 N -4.41 0.15 -0.09 1.05 4.71 -1.26 -3.06 120.64 117.73 1u9i n GLU 352 Ca 0.19 0.16 0.04 0.00 -0.01 0.00 0.00 57.16 57.54 1u9i n GLU 352 Cb 0.83 -1.50 0.14 0.00 -1.01 0.00 0.00 31.44 29.90 1u9i n GLU 352 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1u9i n SER 353 N -1.37 0.97 -3.58 1.62 3.41 0.15 -4.92 113.62 109.89 1u9i n SER 353 Ca 0.07 -1.94 0.02 0.00 -0.26 0.00 0.00 58.87 56.76 1u9i n SER 353 Cb 0.16 -0.11 -0.01 0.00 -0.26 0.00 0.00 64.21 63.99 1u9i n SER 353 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u9i s ALA 354 N -1.77 -2.40 0.52 7.33 0.00 -1.17 -5.01 121.76 119.26 1u9i s ALA 354 Ca 0.15 1.17 -0.05 0.00 0.00 0.00 0.00 51.96 53.23 1u9i s ALA 354 Cb 0.08 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 1u9i s ALA 354 CO 0.11 -0.93 0.82 0.20 0.00 0.00 0.00 175.76 175.97 1u9i s GLY 355 N -2.74 1.55 0.20 0.00 0.00 -1.26 -4.87 107.32 100.19 1u9i s GLY 355 Ca 0.14 -0.62 -0.11 0.00 0.00 0.00 0.00 44.72 44.14 1u9i s GLY 355 CO -0.05 -0.40 1.73 1.41 0.00 0.00 0.00 173.10 175.78 1u9i h LEU 356 N 0.07 0.10 -0.39 0.66 4.07 -1.94 -0.19 115.31 117.70 1u9i h LEU 356 Ca -0.46 0.09 0.08 0.00 0.08 0.00 0.00 57.88 57.67 1u9i h LEU 356 Cb 1.23 0.10 -0.09 0.00 1.08 0.00 0.00 40.66 42.98 1u9i h LEU 356 CO 0.61 0.07 -0.25 1.05 -1.08 0.00 0.00 178.44 178.84 1u9i h GLU 357 N 0.32 -0.18 -0.25 1.13 4.11 -1.96 0.42 114.58 118.17 1u9i h GLU 357 Ca 0.29 0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.73 1u9i h GLU 357 Cb 0.39 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1u9i h GLU 357 CO -0.34 -0.12 0.14 -0.44 0.07 0.00 0.00 179.01 178.32 1u9i h ASP 358 N -0.18 0.31 -0.05 3.06 3.32 -1.74 -1.77 116.42 119.38 1u9i h ASP 358 Ca 0.19 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.19 1u9i h ASP 358 Cb 0.48 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 1u9i h ASP 358 CO -0.50 0.30 -0.18 0.45 -1.72 0.00 0.00 179.24 177.59 1u9i h HIS 359 N 0.29 -0.48 -0.31 4.55 3.86 -0.12 0.90 115.15 123.84 1u9i h HIS 359 Ca 0.09 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.39 1u9i h HIS 359 Cb 0.06 0.22 -0.08 0.00 1.06 0.00 0.00 27.41 28.67 1u9i h HIS 359 CO -0.04 -0.26 -0.30 1.25 0.86 0.00 0.00 177.93 179.44 1u9i h LEU 360 N -0.27 -0.98 -0.09 2.43 6.46 -0.00 -0.06 115.31 122.80 1u9i h LEU 360 Ca 0.07 0.17 0.02 0.00 -0.12 0.00 0.00 57.88 58.02 1u9i h LEU 360 Cb 0.37 0.45 -0.02 0.00 -0.73 0.00 0.00 40.66 40.73 1u9i h LEU 360 CO -0.21 -0.32 -0.04 -0.61 -0.62 0.00 0.00 178.44 176.64 1u9i h GLN 361 N -0.27 -0.03 -0.68 1.25 4.15 -0.87 -1.41 115.11 117.24 1u9i h GLN 361 Ca 0.15 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.69 1u9i h GLN 361 Cb 0.52 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.13 1u9i h GLN 361 CO -0.47 -0.02 0.26 0.82 -1.93 0.00 0.00 178.83 177.49 1u9i h ILE 362 N -0.04 0.71 0.11 2.39 1.08 -0.08 -0.29 117.51 121.39 1u9i h ILE 362 Ca 0.05 -0.14 0.01 0.00 -0.39 0.00 0.00 64.86 64.39 1u9i h ILE 362 Cb 0.11 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.09 1u9i h ILE 362 CO -0.11 0.08 -0.18 0.40 -0.69 0.00 0.00 178.15 177.65 1u9i h ILE 363 N 0.42 0.60 0.07 -0.67 2.04 -0.45 -0.22 117.51 119.30 1u9i h ILE 363 Ca 0.36 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.23 1u9i h ILE 363 Cb 0.50 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1u9i h ILE 363 CO -0.36 0.00 -0.35 0.11 0.00 0.00 0.00 178.15 177.55 1u9i h LYS 364 N -0.35 -0.47 -0.48 2.37 1.57 -0.19 -1.09 116.57 117.93 1u9i h LYS 364 Ca 0.02 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.91 1u9i h LYS 364 Cb 0.36 0.11 -0.10 0.00 0.08 0.00 0.00 32.23 32.68 1u9i h LYS 364 CO -0.09 -0.32 -0.40 0.66 -0.57 0.00 0.00 179.45 178.74 1u9i h SER 365 N -0.49 -1.35 -0.88 0.86 4.64 -0.98 0.30 113.55 115.65 1u9i h SER 365 Ca -0.00 0.22 0.22 0.00 -0.47 0.00 0.00 61.79 61.76 1u9i h SER 365 Cb 0.50 0.61 -0.13 0.00 -0.31 0.00 0.00 62.40 63.07 1u9i h SER 365 CO -0.19 -0.34 0.34 -0.33 -0.87 0.00 0.00 176.83 175.43 1u9i h GLU 366 N -0.26 0.33 -0.50 4.77 5.08 -0.72 0.26 114.58 123.53 1u9i h GLU 366 Ca 0.17 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1u9i h GLU 366 Cb 0.57 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1u9i h GLU 366 CO -0.62 0.22 0.11 0.82 -1.00 0.00 0.00 179.01 178.54 1u9i h ILE 367 N 0.34 1.24 -0.60 3.13 1.08 0.81 -2.72 117.51 120.79 1u9i h ILE 367 Ca 0.55 -0.86 -0.10 0.00 -0.39 0.00 0.00 64.86 64.05 1u9i h ILE 367 Cb 1.05 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 35.63 1u9i h ILE 367 CO -0.56 0.31 -0.01 0.78 -0.69 0.00 0.00 178.15 177.98 1u9i h ASN 368 N 0.69 1.04 -0.03 1.72 2.35 0.14 0.17 115.58 121.66 1u9i h ASN 368 Ca 0.16 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1u9i h ASN 368 Cb 0.34 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1u9i h ASN 368 CO 0.00 1.10 0.00 0.47 -1.65 0.00 0.00 177.43 177.35 1u9i n ASP 369 N -4.17 0.23 0.00 5.81 8.00 0.62 -3.97 116.55 123.07 1u9i n ASP 369 Ca 0.03 -1.69 0.00 0.00 0.71 0.00 0.00 54.79 53.84 1u9i n ASP 369 Cb 0.35 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1u9i n ASP 369 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1u9i n PHE 370 N -0.53 0.00 -3.97 1.24 7.35 -1.03 -5.05 117.46 115.47 1u9i n PHE 370 Ca 0.09 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 56.42 1u9i n PHE 370 Cb 0.07 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.91 1u9i n PHE 370 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1u9i n LYS 371 N 0.00 -1.19 -1.35 -4.13 -0.00 0.56 -4.91 118.16 107.13 1u9i n LYS 371 Ca 0.00 0.25 -0.34 0.00 -0.00 0.00 0.00 58.31 58.22 1u9i n LYS 371 Cb 0.10 -3.51 0.10 0.00 -0.00 0.00 0.00 35.03 31.72 1u9i n LYS 371 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 1u9i s PRO 372 N -6.85 2.04 -0.17 -1.58 0.02 -1.25 -4.71 135.00 122.50 1u9i s PRO 372 Ca 0.33 1.70 0.10 0.00 0.02 0.00 0.00 61.00 63.15 1u9i s PRO 372 Cb -0.15 -1.83 -0.17 0.00 0.02 0.00 0.00 34.50 32.36 1u9i s PRO 372 CO 0.93 -1.90 -0.02 0.00 -0.33 0.00 0.00 177.00 175.68 1u9i n ALA 373 N -2.91 1.60 -2.54 -1.55 0.00 0.47 -4.88 120.51 110.70 1u9i n ALA 373 Ca 0.13 -0.99 -0.19 0.00 0.00 0.00 0.00 53.44 52.40 1u9i n ALA 373 Cb 0.51 -0.05 -0.11 0.00 0.00 0.00 0.00 19.45 19.79 1u9i n ALA 373 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1u9i s ARG 374 N -2.39 0.99 -0.08 0.00 0.52 -1.06 -2.35 118.95 114.59 1u9i s ARG 374 Ca -0.14 -1.18 -0.06 0.00 -0.52 0.00 0.00 55.73 53.83 1u9i s ARG 374 Cb 0.05 -0.93 0.03 0.00 0.52 0.00 0.00 34.95 34.62 1u9i s ARG 374 CO 0.59 0.19 0.19 0.42 0.02 0.00 0.00 175.30 176.70 1u9i s ILE 375 N -1.90 -0.02 -0.08 1.52 1.09 -0.29 -2.03 121.20 119.49 1u9i s ILE 375 Ca 0.07 0.06 -0.01 0.00 -1.10 0.00 0.00 60.65 59.67 1u9i s ILE 375 Cb -0.06 -0.28 0.03 0.00 -1.06 0.00 0.00 42.46 41.08 1u9i s ILE 375 CO 0.03 0.02 -0.03 0.00 -0.10 0.00 0.00 174.94 174.87 1u9i s ALA 376 N 0.52 0.93 -0.42 9.38 0.00 -0.60 -0.46 121.76 131.10 1u9i s ALA 376 Ca -0.03 -0.28 -0.11 0.00 0.00 0.00 0.00 51.96 51.54 1u9i s ALA 376 Cb -0.05 -0.79 0.07 0.00 0.00 0.00 0.00 23.12 22.35 1u9i s ALA 376 CO -0.03 -0.42 0.28 0.42 0.00 0.00 0.00 175.76 176.02 1u9i s ILE 377 N 1.81 4.50 -0.42 0.00 1.01 -0.58 -1.03 121.20 126.49 1u9i s ILE 377 Ca 0.04 -1.24 -0.29 0.00 0.00 0.00 0.00 60.65 59.16 1u9i s ILE 377 Cb -0.12 -3.69 0.01 0.00 0.01 0.00 0.00 42.46 38.66 1u9i s ILE 377 CO -0.06 -0.48 1.36 -0.62 0.00 0.00 0.00 174.94 175.14 1u9i s ASP 378 N 2.12 6.41 -0.06 3.58 -1.08 -0.38 -2.03 116.67 125.23 1u9i s ASP 378 Ca 0.03 0.79 -0.04 0.00 -0.52 0.00 0.00 52.55 52.81 1u9i s ASP 378 Cb -0.23 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 38.71 1u9i s ASP 378 CO 0.04 -1.38 0.08 -0.24 0.52 0.00 0.00 175.17 174.19 1u9i n SER 379 N 8.57 -1.42 0.09 -0.34 2.88 -1.22 -3.68 113.62 118.50 1u9i n SER 379 Ca 0.16 0.44 -0.13 0.00 -1.33 0.00 0.00 58.87 58.01 1u9i n SER 379 Cb 0.48 -2.39 -0.13 0.00 -0.75 0.00 0.00 64.21 61.42 1u9i n SER 379 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1u9i h LEU 380 N 1.33 0.28 -2.26 2.46 3.38 -0.10 -3.12 115.31 117.28 1u9i h LEU 380 Ca -0.19 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.52 1u9i h LEU 380 Cb 0.43 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1u9i h LEU 380 CO 0.00 1.22 0.24 0.77 0.09 0.00 0.00 178.44 180.77 1u9i h SER 381 N 0.05 0.00 0.30 -0.43 4.64 -1.92 0.44 113.55 116.63 1u9i h SER 381 Ca -0.09 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.94 1u9i h SER 381 Cb 1.88 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.99 1u9i h SER 381 CO 0.18 0.00 -1.26 0.00 -0.87 0.00 0.00 176.83 174.87 1u9i h ALA 382 N 1.62 0.03 0.00 5.18 0.00 -1.87 -3.20 119.26 121.01 1u9i h ALA 382 Ca 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1u9i h ALA 382 Cb 0.54 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1u9i h ALA 382 CO -0.00 0.77 0.00 -0.07 0.00 0.00 0.00 179.25 179.95 1u9i h LEU 383 N 0.20 0.00 -0.07 0.00 3.38 -0.28 -2.98 115.31 115.55 1u9i h LEU 383 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1u9i h LEU 383 Cb 1.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.70 1u9i h LEU 383 CO 0.23 0.00 -0.08 0.00 0.09 0.00 0.00 178.44 178.68 1u9i n ALA 384 N -1.86 2.63 -1.67 1.53 0.00 -0.55 -4.80 120.51 115.79 1u9i n ALA 384 Ca 0.02 -0.19 -0.47 0.00 0.00 0.00 0.00 53.44 52.80 1u9i n ALA 384 Cb 0.29 -1.40 -0.04 0.00 0.00 0.00 0.00 19.45 18.29 1u9i n ALA 384 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u9i n ARG 385 N -1.26 2.14 0.00 0.00 1.74 -1.13 -3.56 116.66 114.59 1u9i n ARG 385 Ca 0.12 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 57.98 1u9i n ARG 385 Cb 0.29 -2.58 0.00 0.00 -1.02 0.00 0.00 32.46 29.14 1u9i n ARG 385 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u9i n GLY 386 N 3.87 1.15 3.16 -0.13 0.00 -1.26 -4.93 105.19 107.04 1u9i n GLY 386 Ca 0.20 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1u9i n GLY 386 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u9i n VAL 387 N 0.00 0.07 -2.46 1.61 0.31 -1.23 -4.92 118.33 111.71 1u9i n VAL 387 Ca 0.00 -0.49 -0.34 0.00 -0.01 0.00 0.00 64.34 63.50 1u9i n VAL 387 Cb 0.00 -0.03 -0.03 0.00 -0.91 0.00 0.00 33.84 32.87 1u9i n VAL 387 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1u9i s SER 388 N -1.02 6.24 0.14 4.52 1.04 -1.26 -4.90 113.70 118.46 1u9i s SER 388 Ca 0.50 1.92 -0.18 0.00 0.48 0.00 0.00 55.95 58.67 1u9i s SER 388 Cb -0.36 -2.56 -0.00 0.00 0.10 0.00 0.00 66.02 63.20 1u9i s SER 388 CO 0.73 -0.85 1.78 -1.13 0.98 0.00 0.00 173.24 174.74 1u9i h ASN 389 N 1.37 0.26 -0.44 7.02 -0.73 -1.92 0.13 115.58 121.27 1u9i h ASN 389 Ca -0.49 0.01 0.03 0.00 1.87 0.00 0.00 56.30 57.71 1u9i h ASN 389 Cb 1.22 -0.05 -0.03 0.00 0.27 0.00 0.00 38.32 39.73 1u9i h ASN 389 CO 0.59 0.19 0.24 0.78 -0.37 0.00 0.00 177.43 178.86 1u9i h ASN 390 N 0.34 0.37 -0.81 1.15 2.35 -1.98 0.17 115.58 117.19 1u9i h ASN 390 Ca 0.12 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1u9i h ASN 390 Cb 0.02 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.29 1u9i h ASN 390 CO -0.07 0.27 0.51 0.00 -1.65 0.00 0.00 177.43 176.49 1u9i h ALA 391 N 1.21 1.37 -0.06 -0.83 0.00 -1.85 -1.39 119.26 117.71 1u9i h ALA 391 Ca 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1u9i h ALA 391 Cb 0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1u9i h ALA 391 CO -0.10 0.56 -0.01 0.35 0.00 0.00 0.00 179.25 180.04 1u9i h PHE 392 N 1.11 0.12 -0.84 0.00 3.57 0.07 -2.03 116.94 118.94 1u9i h PHE 392 Ca 0.29 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.83 1u9i h PHE 392 Cb -0.08 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.56 1u9i h PHE 392 CO 0.00 0.42 0.51 0.00 -2.23 0.00 0.00 178.31 177.02 1u9i h ARG 393 N -0.21 0.91 -0.62 1.11 3.08 -0.50 0.22 114.38 118.37 1u9i h ARG 393 Ca 0.02 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.07 1u9i h ARG 393 Cb 0.38 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1u9i h ARG 393 CO 0.00 0.60 0.41 0.37 -1.07 0.00 0.00 179.97 180.28 1u9i h GLN 394 N 0.93 0.59 -0.08 0.04 4.15 -1.12 0.27 115.11 119.89 1u9i h GLN 394 Ca 0.37 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.65 1u9i h GLN 394 Cb 0.18 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.74 1u9i h GLN 394 CO -0.18 0.39 -0.36 0.35 -1.93 0.00 0.00 178.83 177.11 1u9i h PHE 395 N 0.60 0.52 -0.27 3.99 3.57 0.09 -2.66 116.94 122.78 1u9i h PHE 395 Ca 0.27 -0.22 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1u9i h PHE 395 Cb 0.27 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 1u9i h PHE 395 CO -0.00 0.96 0.13 0.28 -2.23 0.00 0.00 178.31 177.45 1u9i h VAL 396 N -0.07 0.99 -0.98 1.41 2.07 -0.32 -0.95 116.25 118.40 1u9i h VAL 396 Ca -0.02 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.50 1u9i h VAL 396 Cb 1.00 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 31.38 1u9i h VAL 396 CO 0.07 0.05 0.62 0.40 0.02 0.00 0.00 177.57 178.73 1u9i h ILE 397 N 0.28 0.97 0.53 4.57 1.08 -1.02 0.18 117.51 124.10 1u9i h ILE 397 Ca 0.11 -0.35 -0.03 0.00 -0.39 0.00 0.00 64.86 64.20 1u9i h ILE 397 Cb 0.03 -0.15 0.01 0.00 -3.07 0.00 0.00 36.82 33.64 1u9i h ILE 397 CO -0.08 0.19 -0.25 1.23 -0.69 0.00 0.00 178.15 178.55 1u9i h GLY 398 N 1.03 -0.74 0.59 5.37 0.00 -0.85 0.29 103.07 108.76 1u9i h GLY 398 Ca 0.46 0.28 0.07 0.00 0.00 0.00 0.00 47.33 48.14 1u9i h GLY 398 CO -0.23 -0.27 0.34 -2.08 0.00 0.00 0.00 176.54 174.30 1u9i h VAL 399 N -0.76 0.91 0.70 4.60 2.07 -1.06 -0.83 116.25 121.88 1u9i h VAL 399 Ca -0.07 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1u9i h VAL 399 Cb 0.55 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1u9i h VAL 399 CO 0.12 0.11 -0.41 0.74 0.02 0.00 0.00 177.57 178.15 1u9i h THR 400 N 0.62 0.00 -0.75 2.57 2.02 -0.65 -2.01 112.91 114.70 1u9i h THR 400 Ca 0.31 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.66 1u9i h THR 400 Cb 0.26 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.56 1u9i h THR 400 CO -0.22 0.00 0.16 1.23 0.37 0.00 0.00 175.52 177.06 1u9i h GLY 401 N -1.03 1.03 0.99 2.16 0.00 -0.14 -0.93 103.07 105.14 1u9i h GLY 401 Ca -0.09 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.22 1u9i h GLY 401 CO 0.11 -0.23 0.32 -1.82 0.00 0.00 0.00 176.54 174.92 1u9i h TYR 402 N 0.24 0.60 -0.79 5.60 3.20 -1.05 -1.43 116.97 123.34 1u9i h TYR 402 Ca 0.43 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.27 1u9i h TYR 402 Cb 0.75 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.78 1u9i h TYR 402 CO -0.28 0.37 0.32 0.00 -1.64 0.00 0.00 178.16 176.93 1u9i h ALA 403 N 1.18 1.07 0.85 1.82 0.00 -0.45 -1.74 119.26 121.99 1u9i h ALA 403 Ca 0.18 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1u9i h ALA 403 Cb -0.07 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.42 1u9i h ALA 403 CO -0.04 0.66 -0.41 0.87 0.00 0.00 0.00 179.25 180.33 1u9i h LYS 404 N 1.15 -1.10 0.00 0.00 1.57 -0.88 -0.24 116.57 117.07 1u9i h LYS 404 Ca 0.27 0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1u9i h LYS 404 Cb 0.21 0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1u9i h LYS 404 CO -0.02 -0.73 0.00 0.00 -0.57 0.00 0.00 179.45 178.12 1u9i n GLN 405 N -5.54 0.09 -0.34 3.15 10.64 -0.57 -1.36 117.38 123.46 1u9i n GLN 405 Ca -0.14 0.54 0.11 0.00 -1.83 0.00 0.00 57.00 55.67 1u9i n GLN 405 Cb 0.45 -1.76 0.29 0.00 -0.86 0.00 0.00 30.24 28.36 1u9i n GLN 405 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1u9i n GLU 406 N -1.95 2.76 -1.32 2.61 4.07 -0.66 -4.85 120.64 121.31 1u9i n GLU 406 Ca -0.00 -2.56 -0.11 0.00 -0.06 0.00 0.00 57.16 54.43 1u9i n GLU 406 Cb 0.05 -1.52 -0.05 0.00 -0.06 0.00 0.00 31.44 29.87 1u9i n GLU 406 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1u9i n GLU 407 N 1.45 -1.49 -3.28 5.31 -0.58 -0.46 -4.96 120.64 116.63 1u9i n GLU 407 Ca 0.22 0.86 -0.38 0.00 -0.42 0.00 0.00 57.16 57.44 1u9i n GLU 407 Cb 0.59 -5.16 -0.06 0.00 -0.57 0.00 0.00 31.44 26.24 1u9i n GLU 407 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1u9i s ILE 408 N -2.04 5.05 -0.24 -3.67 1.01 -0.12 -4.79 121.20 116.39 1u9i s ILE 408 Ca 0.00 1.09 -0.28 0.00 0.00 0.00 0.00 60.65 61.46 1u9i s ILE 408 Cb 0.00 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.61 1u9i s ILE 408 CO 0.00 0.39 0.98 -0.89 0.00 0.00 0.00 174.94 175.42 1u9i s THR 409 N 0.08 4.72 -0.14 2.92 2.01 -0.99 -4.41 115.64 119.83 1u9i s THR 409 Ca 0.28 1.88 0.01 0.00 0.31 0.00 0.00 61.69 64.17 1u9i s THR 409 Cb -0.17 -4.25 -0.00 0.00 0.01 0.00 0.00 72.50 68.09 1u9i s THR 409 CO 0.14 -0.16 -0.17 -0.83 -0.69 0.00 0.00 174.62 172.91 1u9i s GLY 410 N 1.26 1.44 -0.31 4.40 0.00 -1.05 -1.14 107.32 111.92 1u9i s GLY 410 Ca 0.41 -1.01 -0.08 0.00 0.00 0.00 0.00 44.72 44.04 1u9i s GLY 410 CO 0.07 -0.09 0.12 -2.27 0.00 0.00 0.00 173.10 170.92 1u9i s LEU 411 N 0.63 4.05 0.02 0.66 2.96 0.39 -0.33 118.68 127.07 1u9i s LEU 411 Ca -0.09 -0.71 0.05 0.00 -0.22 0.00 0.00 54.13 53.15 1u9i s LEU 411 Cb -0.16 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1u9i s LEU 411 CO 0.03 -0.22 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.37 1u9i s PHE 412 N 1.53 2.76 0.09 5.38 0.40 0.62 -1.53 117.98 127.24 1u9i s PHE 412 Ca 0.03 -0.12 0.04 0.00 -0.60 0.00 0.00 56.93 56.28 1u9i s PHE 412 Cb -0.17 -1.55 -0.04 0.00 0.51 0.00 0.00 43.02 41.77 1u9i s PHE 412 CO 0.04 0.33 0.02 0.99 0.70 0.00 0.00 175.22 177.30 1u9i s THR 413 N -0.98 4.14 -0.12 0.64 2.01 -0.86 -0.82 115.64 119.64 1u9i s THR 413 Ca 0.17 -0.95 -0.06 0.00 0.31 0.00 0.00 61.69 61.16 1u9i s THR 413 Cb -0.11 -2.98 0.05 0.00 0.01 0.00 0.00 72.50 69.47 1u9i s THR 413 CO 0.07 0.11 0.28 0.21 -0.69 0.00 0.00 174.62 174.60 1u9i s ASN 414 N -2.36 -0.26 -0.24 3.53 2.47 0.12 0.55 114.94 118.75 1u9i s ASN 414 Ca 0.27 0.59 -0.08 0.00 0.42 0.00 0.00 52.86 54.06 1u9i s ASN 414 Cb -0.12 0.50 -0.04 0.00 -1.45 0.00 0.00 41.25 40.14 1u9i s ASN 414 CO 0.19 -0.18 0.10 -0.89 -3.72 0.00 0.00 177.10 172.61 1u9i s THR 415 N 1.38 4.66 0.39 -5.21 2.01 -1.26 -2.07 115.64 115.55 1u9i s THR 415 Ca -0.09 -0.06 -0.24 0.00 0.31 0.00 0.00 61.69 61.61 1u9i s THR 415 Cb -0.10 -3.17 -0.09 0.00 0.01 0.00 0.00 72.50 69.15 1u9i s THR 415 CO -0.09 0.34 1.08 -0.94 -0.69 0.00 0.00 174.62 174.31 1u9i s SER 416 N 1.42 6.72 0.35 3.53 1.04 -0.90 -4.92 113.70 120.94 1u9i s SER 416 Ca 0.06 2.12 0.26 0.00 0.48 0.00 0.00 55.95 58.87 1u9i s SER 416 Cb -0.15 -2.59 1.19 0.00 0.10 0.00 0.00 66.02 64.57 1u9i s SER 416 CO 0.05 -0.53 1.79 0.44 0.98 0.00 0.00 173.24 175.98 1u9i h ASP 417 N 2.58 0.00 -3.45 7.02 3.32 -1.98 -3.42 116.42 120.50 1u9i h ASP 417 Ca -0.48 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.18 1u9i h ASP 417 Cb 1.22 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.43 1u9i h ASP 417 CO 0.62 0.00 -0.76 0.00 -1.72 0.00 0.00 179.24 177.38 1u9i s GLN 418 N -3.49 0.63 -0.04 3.56 -2.07 -1.26 -5.09 119.66 111.90 1u9i s GLN 418 Ca 0.02 -0.02 -0.30 0.00 -1.82 0.00 0.00 55.36 53.24 1u9i s GLN 418 Cb 0.09 -0.74 -0.02 0.00 -1.09 0.00 0.00 33.01 31.25 1u9i s GLN 418 CO 0.37 -0.13 1.00 -0.59 -1.32 0.00 0.00 175.29 174.63 1u9i s PHE 419 N 1.08 3.59 0.31 9.60 -0.12 -1.26 -4.31 117.98 126.87 1u9i s PHE 419 Ca -0.09 1.64 0.00 0.00 -0.05 0.00 0.00 56.93 58.43 1u9i s PHE 419 Cb -0.14 -3.16 0.00 0.00 -0.63 0.00 0.00 43.02 39.09 1u9i s PHE 419 CO -0.01 -0.16 0.00 -1.33 -0.05 0.00 0.00 175.22 173.67 1u9i n MET 420 N 4.36 -4.24 0.00 1.99 2.81 -1.26 -4.76 117.12 116.02 1u9i n MET 420 Ca 0.07 3.06 0.00 0.00 -1.81 0.00 0.00 57.70 59.02 1u9i n MET 420 Cb 0.50 -3.36 0.00 0.00 -0.71 0.00 0.00 33.22 29.64 1u9i n MET 420 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u9i n GLY 421 N 0.34 1.75 3.65 3.03 0.00 -0.70 -4.96 105.19 108.30 1u9i n GLY 421 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.48 1u9i n GLY 421 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u9i n ALA 422 N -1.09 -0.32 0.96 4.61 0.00 -1.26 -4.85 120.51 118.56 1u9i n ALA 422 Ca 0.00 0.44 0.11 0.00 0.00 0.00 0.00 53.44 53.99 1u9i n ALA 422 Cb 0.00 -2.19 0.11 0.00 0.00 0.00 0.00 19.45 17.36 1u9i n ALA 422 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1u9i n HIS 423 N 4.14 0.03 -4.29 0.00 8.25 -1.26 -4.91 115.22 117.18 1u9i n HIS 423 Ca 0.22 0.01 -0.19 0.00 -0.26 0.00 0.00 57.72 57.49 1u9i n HIS 423 Cb 0.18 -0.19 -0.13 0.00 1.12 0.00 0.00 29.99 30.98 1u9i n HIS 423 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1u9i s SER 424 N -3.08 1.69 0.15 0.41 1.04 -1.26 -5.05 113.70 107.59 1u9i s SER 424 Ca 0.09 -0.52 -0.15 0.00 0.48 0.00 0.00 55.95 55.85 1u9i s SER 424 Cb 0.17 -0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.22 1u9i s SER 424 CO 0.76 -0.01 1.71 0.40 0.98 0.00 0.00 173.24 177.09 1u9i h ILE 425 N 4.42 1.19 -3.89 -1.02 2.04 -2.04 -3.43 117.51 114.78 1u9i h ILE 425 Ca -0.39 -0.55 -0.45 0.00 1.00 0.00 0.00 64.86 64.46 1u9i h ILE 425 Cb 1.18 0.73 -0.30 0.00 -0.74 0.00 0.00 36.82 37.69 1u9i h ILE 425 CO 0.42 0.21 -0.80 0.42 0.00 0.00 0.00 178.15 178.41 1u9i s THR 426 N -5.66 0.91 0.18 -0.27 -4.23 -1.26 -4.88 115.64 100.44 1u9i s THR 426 Ca -0.13 -0.45 0.13 0.00 -1.18 0.00 0.00 61.69 60.07 1u9i s THR 426 Cb 0.11 -0.80 0.02 0.00 1.34 0.00 0.00 72.50 73.17 1u9i s THR 426 CO 0.76 0.27 1.60 0.44 -0.54 0.00 0.00 174.62 177.15 1u9i h ASP 427 N 6.25 0.00 0.64 3.99 3.32 -1.94 -2.83 116.42 125.86 1u9i h ASP 427 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1u9i h ASP 427 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1u9i h ASP 427 CO 0.49 0.57 -0.32 -1.54 -1.72 0.00 0.00 179.24 176.72 1u9i n SER 428 N -3.60 0.36 -2.92 6.45 3.41 -1.26 -5.00 113.62 111.07 1u9i n SER 428 Ca -0.00 -0.06 -0.03 0.00 -0.26 0.00 0.00 58.87 58.52 1u9i n SER 428 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1u9i n SER 428 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1u9i n HIS 429 N -1.45 -3.02 0.00 7.33 8.25 -1.07 -4.97 115.22 120.31 1u9i n HIS 429 Ca 0.07 1.17 0.00 0.00 -0.26 0.00 0.00 57.72 58.70 1u9i n HIS 429 Cb 0.33 -3.99 -0.01 0.00 1.12 0.00 0.00 29.99 27.44 1u9i n HIS 429 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1u9i n ILE 430 N -1.26 0.00 0.00 1.59 5.41 -1.26 -4.91 119.36 118.93 1u9i n ILE 430 Ca 0.04 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1u9i n ILE 430 Cb 0.48 0.54 0.00 0.00 -0.71 0.00 0.00 39.64 39.95 1u9i n ILE 430 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1u9i n SER 431 N -1.47 0.00 0.00 4.38 3.41 -1.26 -3.21 113.62 115.48 1u9i n SER 431 Ca -0.00 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 1u9i n SER 431 Cb 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1u9i n SER 431 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1u9i n ILE 433 N 1.29 0.00 -3.79 -1.33 -0.00 -1.26 -4.76 119.36 109.51 1u9i n ILE 433 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 62.75 62.46 1u9i n ILE 433 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 39.60 1u9i n ILE 433 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 1u9i s THR 434 N 0.00 5.26 -0.11 1.39 -1.32 -1.20 -5.00 115.64 114.68 1u9i s THR 434 Ca 0.00 -0.31 -0.17 0.00 -1.21 0.00 0.00 61.69 60.00 1u9i s THR 434 Cb 0.00 -3.68 -0.27 0.00 -1.51 0.00 0.00 72.50 67.04 1u9i s THR 434 CO 0.00 -0.02 0.57 0.44 -2.21 0.00 0.00 174.62 173.40 1u9i h ASP 435 N 2.54 0.35 -3.81 8.08 3.32 -1.57 -3.47 116.42 121.87 1u9i h ASP 435 Ca -0.47 -0.85 -0.59 0.00 0.02 0.00 0.00 57.03 55.15 1u9i h ASP 435 Cb 1.18 -0.12 -0.32 0.00 0.22 0.00 0.00 39.33 40.29 1u9i h ASP 435 CO 0.72 1.58 -0.85 -0.89 -1.72 0.00 0.00 179.24 178.08 1u9i s THR 436 N -2.46 1.55 -0.20 0.35 2.01 -0.95 -2.62 115.64 113.33 1u9i s THR 436 Ca -0.20 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.04 1u9i s THR 436 Cb 0.04 -1.33 0.04 0.00 0.01 0.00 0.00 72.50 71.25 1u9i s THR 436 CO 0.76 0.44 -0.13 -0.63 -0.69 0.00 0.00 174.62 174.37 1u9i s ILE 437 N 0.11 1.81 -0.24 1.82 1.01 -0.53 0.46 121.20 125.63 1u9i s ILE 437 Ca -0.06 -1.02 -0.09 0.00 0.00 0.00 0.00 60.65 59.47 1u9i s ILE 437 Cb -0.13 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 1u9i s ILE 437 CO 0.03 0.27 0.12 -0.63 0.00 0.00 0.00 174.94 174.73 1u9i s ILE 438 N 1.34 4.86 -0.23 2.92 -1.09 0.15 -0.17 121.20 128.98 1u9i s ILE 438 Ca 0.00 0.01 -0.04 0.00 -2.23 0.00 0.00 60.65 58.39 1u9i s ILE 438 Cb -0.15 -3.27 -0.01 0.00 -1.58 0.00 0.00 42.46 37.45 1u9i s ILE 438 CO -0.09 0.34 -0.02 -0.22 -1.23 0.00 0.00 174.94 173.71 1u9i s LEU 439 N 1.33 3.05 -0.16 2.97 2.96 0.17 -1.72 118.68 127.29 1u9i s LEU 439 Ca 0.06 -0.43 -0.07 0.00 -0.22 0.00 0.00 54.13 53.46 1u9i s LEU 439 Cb -0.15 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1u9i s LEU 439 CO 0.05 -0.04 0.09 -0.76 -1.32 0.00 0.00 176.35 174.37 1u9i s LEU 440 N 1.48 4.03 0.04 -0.68 1.43 0.37 -1.40 118.68 123.95 1u9i s LEU 440 Ca 0.05 0.22 -0.09 0.00 -1.03 0.00 0.00 54.13 53.28 1u9i s LEU 440 Cb -0.15 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.07 1u9i s LEU 440 CO -0.02 0.26 0.19 0.00 0.23 0.00 0.00 176.35 177.01 1u9i s GLN 441 N -0.14 0.69 0.37 1.70 -2.07 -0.41 -4.11 119.66 115.69 1u9i s GLN 441 Ca 0.08 -0.64 -0.14 0.00 -1.82 0.00 0.00 55.36 52.85 1u9i s GLN 441 Cb -0.12 0.29 -0.08 0.00 -1.09 0.00 0.00 33.01 32.01 1u9i s GLN 441 CO 0.01 -0.20 0.77 0.71 -1.32 0.00 0.00 175.29 175.26 1u9i s TYR 442 N -2.59 3.41 -0.07 9.60 4.12 -1.26 -0.67 117.35 129.89 1u9i s TYR 442 Ca -0.05 1.18 -0.03 0.00 0.02 0.00 0.00 57.07 58.19 1u9i s TYR 442 Cb -0.01 -2.53 0.04 0.00 -1.52 0.00 0.00 41.96 37.95 1u9i s TYR 442 CO -0.04 -0.01 0.13 0.08 0.02 0.00 0.00 175.55 175.73 1u9i s VAL 443 N -2.16 -0.20 -0.28 0.71 1.01 0.50 -4.63 120.40 115.34 1u9i s VAL 443 Ca 0.54 0.37 -0.29 0.00 0.00 0.00 0.00 61.98 62.60 1u9i s VAL 443 Cb -0.10 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 36.03 1u9i s VAL 443 CO 0.23 0.15 1.28 -0.70 0.00 0.00 0.00 175.10 176.06 1u9i s GLU 444 N 2.19 3.97 -0.21 2.72 2.12 0.14 -1.84 118.70 127.79 1u9i s GLU 444 Ca 0.03 1.29 -0.04 0.00 0.36 0.00 0.00 54.97 56.61 1u9i s GLU 444 Cb -0.12 -3.85 0.07 0.00 0.26 0.00 0.00 34.13 30.49 1u9i s GLU 444 CO -0.05 -1.05 0.08 0.42 -0.54 0.00 0.00 175.26 174.13 1u9i s ILE 445 N 4.20 0.12 -1.13 -3.70 1.01 -0.39 -4.26 121.20 117.04 1u9i s ILE 445 Ca 0.55 -0.44 -0.03 0.00 0.00 0.00 0.00 60.65 60.74 1u9i s ILE 445 Cb -0.17 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 1u9i s ILE 445 CO 0.21 -0.36 0.95 0.54 0.00 0.00 0.00 174.94 176.28 1u9i n ARG 446 N 5.19 -4.51 -1.09 2.79 1.74 -1.26 -2.50 116.66 117.03 1u9i n ARG 446 Ca -0.07 0.84 -0.03 0.00 -0.77 0.00 0.00 57.85 57.82 1u9i n ARG 446 Cb 0.47 -5.80 -0.01 0.00 -1.02 0.00 0.00 32.46 26.09 1u9i n ARG 446 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u9i n GLY 447 N -1.20 0.44 3.37 -0.13 0.00 -1.26 -4.98 105.19 101.43 1u9i n GLY 447 Ca -0.19 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 1u9i n GLY 447 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u9i s GLU 448 N -1.73 1.39 -0.54 1.61 2.02 -1.04 -5.10 118.70 115.31 1u9i s GLU 448 Ca 0.00 -1.63 -0.12 0.00 0.02 0.00 0.00 54.97 53.24 1u9i s GLU 448 Cb 0.00 -1.22 0.13 0.00 0.10 0.00 0.00 34.13 33.14 1u9i s GLU 448 CO 0.00 0.20 0.45 -1.64 0.02 0.00 0.00 175.26 174.29 1u9i s MET 449 N -3.63 2.80 0.31 1.61 -1.94 -1.26 -1.27 119.30 115.92 1u9i s MET 449 Ca 0.24 -1.84 0.06 0.00 -1.71 0.00 0.00 55.69 52.44 1u9i s MET 449 Cb -0.01 -4.12 -0.02 0.00 2.01 0.00 0.00 34.83 32.69 1u9i s MET 449 CO 0.08 -1.26 0.43 -1.54 -0.01 0.00 0.00 175.02 172.72 1u9i s SER 450 N 2.94 6.03 0.31 3.03 1.04 -0.77 -4.91 113.70 121.37 1u9i s SER 450 Ca 0.06 -0.13 0.08 0.00 0.48 0.00 0.00 55.95 56.43 1u9i s SER 450 Cb -0.26 -1.39 -0.03 0.00 0.10 0.00 0.00 66.02 64.43 1u9i s SER 450 CO -0.00 -0.32 0.22 -0.13 0.98 0.00 0.00 173.24 173.99 1u9i s ARG 451 N -4.11 2.69 -0.09 4.02 3.00 -1.26 -0.37 118.95 122.84 1u9i s ARG 451 Ca 0.42 -1.28 -0.07 0.00 0.00 0.00 0.00 55.73 54.80 1u9i s ARG 451 Cb -0.09 -2.43 0.03 0.00 0.00 0.00 0.00 34.95 32.46 1u9i s ARG 451 CO 0.30 0.20 0.22 0.00 0.00 0.00 0.00 175.30 176.02 1u9i s ALA 452 N -2.28 -0.52 0.07 2.13 0.00 0.15 -2.34 121.76 118.97 1u9i s ALA 452 Ca 0.38 0.70 0.07 0.00 0.00 0.00 0.00 51.96 53.11 1u9i s ALA 452 Cb -0.06 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1u9i s ALA 452 CO 0.25 -0.13 -0.14 -1.50 0.00 0.00 0.00 175.76 174.25 1u9i s ILE 453 N 0.44 3.12 -0.24 0.00 -1.16 0.25 -1.29 121.20 122.32 1u9i s ILE 453 Ca -0.03 -1.22 -0.11 0.00 -0.51 0.00 0.00 60.65 58.78 1u9i s ILE 453 Cb -0.04 -2.40 0.09 0.00 0.61 0.00 0.00 42.46 40.72 1u9i s ILE 453 CO -0.02 0.22 0.56 0.21 -2.81 0.00 0.00 174.94 173.09 1u9i s ASN 454 N -1.85 -0.75 -0.77 4.50 2.47 -0.49 -1.76 114.94 116.29 1u9i s ASN 454 Ca 0.18 1.27 -0.25 0.00 0.42 0.00 0.00 52.86 54.47 1u9i s ASN 454 Cb -0.11 1.41 0.04 0.00 -1.45 0.00 0.00 41.25 41.15 1u9i s ASN 454 CO 0.09 -0.22 1.25 -0.69 -3.72 0.00 0.00 177.10 173.81 1u9i s VAL 455 N 2.02 3.88 0.23 -5.21 1.01 -1.26 0.43 120.40 121.51 1u9i s VAL 455 Ca -0.08 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 1u9i s VAL 455 Cb -0.09 -4.90 0.14 0.00 0.00 0.00 0.00 36.38 31.54 1u9i s VAL 455 CO -0.17 -1.79 1.77 0.15 0.00 0.00 0.00 175.10 175.06 1u9i h PHE 456 N 9.88 1.06 -1.83 5.22 3.57 -0.89 -3.45 116.94 130.50 1u9i h PHE 456 Ca -0.20 -0.11 0.03 0.00 3.53 0.00 0.00 57.97 61.22 1u9i h PHE 456 Cb 1.05 -0.31 -0.20 0.00 2.79 0.00 0.00 35.95 39.28 1u9i h PHE 456 CO 1.12 0.86 0.41 -1.59 -2.23 0.00 0.00 178.31 176.89 1u9i s LYS 457 N -5.30 0.79 -0.10 1.11 -2.85 -1.18 -4.97 119.74 107.25 1u9i s LYS 457 Ca -0.11 0.12 -0.04 0.00 -1.00 0.00 0.00 55.97 54.93 1u9i s LYS 457 Cb 0.15 0.37 0.05 0.00 -2.06 0.00 0.00 37.83 36.35 1u9i s LYS 457 CO 0.83 -0.26 0.20 -1.64 0.10 0.00 0.00 175.35 174.58 1u9i s MET 458 N -1.43 0.08 0.30 1.78 -1.94 -1.26 -1.45 119.30 115.37 1u9i s MET 458 Ca -0.04 0.63 0.02 0.00 -1.71 0.00 0.00 55.69 54.59 1u9i s MET 458 Cb -0.00 -0.17 0.47 0.00 2.01 0.00 0.00 34.83 37.13 1u9i s MET 458 CO 0.03 -0.29 1.80 0.00 -0.01 0.00 0.00 175.02 176.55 1u9i h ARG 459 N 8.27 0.60 -0.10 2.03 3.08 -1.89 -3.29 114.38 123.09 1u9i h ARG 459 Ca -0.15 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1u9i h ARG 459 Cb 1.12 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1u9i h ARG 459 CO 0.15 0.67 0.00 0.41 -1.07 0.00 0.00 179.97 180.13 1u9i n GLY 460 N -0.69 0.75 3.75 0.04 0.00 -1.26 -5.04 105.19 102.73 1u9i n GLY 460 Ca 0.01 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 1u9i n GLY 460 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1u9i n SER 461 N 0.31 3.18 -0.06 1.61 2.88 -1.24 -5.09 113.62 115.20 1u9i n SER 461 Ca 0.06 -3.31 -0.01 0.00 -1.33 0.00 0.00 58.87 54.27 1u9i n SER 461 Cb 0.26 0.46 -0.00 0.00 -0.75 0.00 0.00 64.21 64.18 1u9i n SER 461 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 1u9i h TRP 462 N 1.33 0.00 -4.08 0.66 7.01 -1.86 -3.45 115.95 115.55 1u9i h TRP 462 Ca -0.43 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.57 1u9i h TRP 462 Cb 1.32 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.38 1u9i h TRP 462 CO 0.00 0.00 -1.00 -2.39 -2.79 0.00 0.00 178.44 172.26 1u9i n HIS 463 N -4.74 -4.84 -2.23 2.65 1.44 -1.26 -4.89 115.22 101.36 1u9i n HIS 463 Ca -0.02 2.58 -0.39 0.00 -2.01 0.00 0.00 57.72 57.88 1u9i n HIS 463 Cb 0.07 -3.78 -0.02 0.00 0.12 0.00 0.00 29.99 26.39 1u9i n HIS 463 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1u9i s ASP 464 N -3.53 6.56 0.00 4.39 2.15 0.13 -4.96 116.67 121.41 1u9i s ASP 464 Ca 0.00 2.45 0.23 0.00 0.43 0.00 0.00 52.55 55.66 1u9i s ASP 464 Cb 0.00 -2.62 0.18 0.00 -0.30 0.00 0.00 42.92 40.17 1u9i s ASP 464 CO 0.00 -0.66 1.24 0.29 -0.17 0.00 0.00 175.17 175.87 1u9i n LYS 465 N 0.26 2.21 -2.43 4.34 4.76 -1.26 -4.44 118.16 121.60 1u9i n LYS 465 Ca 0.03 -1.86 -0.34 0.00 -2.87 0.00 0.00 58.31 53.27 1u9i n LYS 465 Cb 0.45 -1.45 -0.02 0.00 -1.84 0.00 0.00 35.03 32.17 1u9i n LYS 465 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u9i s ALA 466 N -1.97 2.81 -0.89 7.82 0.00 -1.26 -4.98 121.76 123.28 1u9i s ALA 466 Ca 0.27 0.66 -0.07 0.00 0.00 0.00 0.00 51.96 52.82 1u9i s ALA 466 Cb 0.19 -3.28 0.23 0.00 0.00 0.00 0.00 23.12 20.26 1u9i s ALA 466 CO 0.30 -0.48 0.81 0.42 0.00 0.00 0.00 175.76 176.82 1u9i s ILE 467 N -1.94 5.06 0.21 0.00 1.01 -1.26 -4.51 121.20 119.76 1u9i s ILE 467 Ca 0.69 -3.20 -0.30 0.00 0.00 0.00 0.00 60.65 57.84 1u9i s ILE 467 Cb -0.19 -4.12 -0.08 0.00 0.01 0.00 0.00 42.46 38.08 1u9i s ILE 467 CO 0.23 -1.06 1.00 -0.13 0.00 0.00 0.00 174.94 174.97 1u9i s ARG 468 N -0.68 4.74 0.31 2.79 0.52 -0.72 -4.03 118.95 121.88 1u9i s ARG 468 Ca 0.24 1.57 -0.21 0.00 -0.52 0.00 0.00 55.73 56.81 1u9i s ARG 468 Cb -0.11 -3.29 -0.09 0.00 0.52 0.00 0.00 34.95 31.98 1u9i s ARG 468 CO -0.09 0.33 0.83 -1.83 0.02 0.00 0.00 175.30 174.57 1u9i s GLU 469 N -0.83 4.31 0.05 3.54 -1.05 -0.37 0.87 118.70 125.21 1u9i s GLU 469 Ca 0.44 1.02 -0.02 0.00 -0.15 0.00 0.00 54.97 56.26 1u9i s GLU 469 Cb -0.27 -2.66 -0.03 0.00 -0.44 0.00 0.00 34.13 30.73 1u9i s GLU 469 CO 0.33 0.24 -0.01 -0.59 0.95 0.00 0.00 175.26 176.19 1u9i s PHE 470 N -1.75 0.44 0.27 4.83 -0.12 -0.99 -0.50 117.98 120.17 1u9i s PHE 470 Ca 0.50 -0.94 0.10 0.00 -0.05 0.00 0.00 56.93 56.55 1u9i s PHE 470 Cb -0.15 -0.33 -0.05 0.00 -0.63 0.00 0.00 43.02 41.86 1u9i s PHE 470 CO 0.20 -0.37 -0.16 0.00 -0.05 0.00 0.00 175.22 174.84 1u9i s MET 471 N -3.56 1.60 -0.08 1.99 0.23 -0.79 -4.01 119.30 114.68 1u9i s MET 471 Ca 0.04 -1.75 0.05 0.00 -1.03 0.00 0.00 55.69 53.00 1u9i s MET 471 Cb 0.05 -1.55 -0.00 0.00 -1.53 0.00 0.00 34.83 31.80 1u9i s MET 471 CO -0.09 0.25 -0.24 0.42 -2.03 0.00 0.00 175.02 173.33 1u9i s ILE 472 N -2.68 2.00 0.00 3.16 1.09 -1.26 -0.69 121.20 122.82 1u9i s ILE 472 Ca 0.28 -1.01 0.00 0.00 -1.10 0.00 0.00 60.65 58.82 1u9i s ILE 472 Cb -0.02 -1.71 0.00 0.00 -1.06 0.00 0.00 42.46 39.66 1u9i s ILE 472 CO 0.13 0.55 0.00 -1.54 -0.10 0.00 0.00 174.94 173.98 1u9i n SER 473 N 3.24 0.00 0.06 3.58 3.41 -0.45 -4.98 113.62 118.49 1u9i n SER 473 Ca -0.18 -0.43 -0.06 0.00 -0.26 0.00 0.00 58.87 57.94 1u9i n SER 473 Cb 0.52 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.60 1u9i n SER 473 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1u9i h ASP 474 N 0.00 0.37 0.76 4.04 3.32 -1.92 -2.77 116.42 120.22 1u9i h ASP 474 Ca 0.00 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.77 1u9i h ASP 474 Cb 0.00 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1u9i h ASP 474 CO 0.00 0.84 -0.41 0.11 -1.72 0.00 0.00 179.24 178.06 1u9i h LYS 475 N 0.26 0.00 0.00 3.56 1.57 -1.86 -2.95 116.57 117.15 1u9i h LYS 475 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1u9i h LYS 475 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1u9i h LYS 475 CO 0.09 0.41 0.00 0.41 -0.57 0.00 0.00 179.45 179.79 1u9i n GLY 476 N 0.16 0.49 3.72 3.86 0.00 -1.05 -4.82 105.19 107.55 1u9i n GLY 476 Ca -0.01 -1.82 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 1u9i n GLY 476 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u9i s PRO 477 N -1.00 4.44 -0.30 1.61 0.04 -1.26 -1.34 135.00 137.18 1u9i s PRO 477 Ca 0.00 0.88 0.03 0.00 0.04 0.00 0.00 61.00 61.95 1u9i s PRO 477 Cb 0.00 -3.44 0.08 0.00 0.04 0.00 0.00 34.50 31.18 1u9i s PRO 477 CO 0.00 0.07 -0.02 0.34 0.04 0.00 0.00 177.00 177.44 1u9i s ASP 478 N 0.77 4.53 -0.23 6.66 2.15 0.13 -4.97 116.67 125.71 1u9i s ASP 478 Ca 0.37 -1.76 -0.28 0.00 0.43 0.00 0.00 52.55 51.31 1u9i s ASP 478 Cb -0.18 -1.52 0.01 0.00 -0.30 0.00 0.00 42.92 40.93 1u9i s ASP 478 CO 0.18 -0.30 1.00 -0.63 -0.17 0.00 0.00 175.17 175.25 1u9i s ILE 479 N 1.06 4.71 0.00 4.11 -1.09 -1.26 -1.88 121.20 126.84 1u9i s ILE 479 Ca 0.02 1.94 0.00 0.00 -2.23 0.00 0.00 60.65 60.38 1u9i s ILE 479 Cb -0.19 -4.27 0.00 0.00 -1.58 0.00 0.00 42.46 36.42 1u9i s ILE 479 CO -0.08 -0.16 0.00 0.29 -1.23 0.00 0.00 174.94 173.76 1u9i n LYS 480 N 6.26 1.11 -3.32 2.79 5.02 0.34 -5.00 118.16 125.37 1u9i n LYS 480 Ca 0.11 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.20 1u9i n LYS 480 Cb 0.46 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.47 1u9i n LYS 480 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1u9i s ASP 481 N -0.81 5.28 0.73 4.39 1.01 -1.26 -4.60 116.67 121.40 1u9i s ASP 481 Ca 0.00 -0.65 -0.07 0.00 0.71 0.00 0.00 52.55 52.54 1u9i s ASP 481 Cb 0.00 -0.50 0.08 0.00 1.01 0.00 0.00 42.92 43.51 1u9i s ASP 481 CO 0.00 -0.77 1.04 -0.94 0.21 0.00 0.00 175.17 174.72 1u9i s SER 482 N -4.26 4.64 -1.14 0.27 1.04 -1.26 -1.24 113.70 111.74 1u9i s SER 482 Ca 0.51 0.40 -0.05 0.00 0.48 0.00 0.00 55.95 57.29 1u9i s SER 482 Cb -0.06 -0.98 0.26 0.00 0.10 0.00 0.00 66.02 65.34 1u9i s SER 482 CO 0.30 -1.72 1.74 0.49 0.98 0.00 0.00 173.24 175.03 1u9i n PHE 483 N -3.00 2.52 -0.34 5.02 3.01 -1.26 -4.82 117.46 118.60 1u9i n PHE 483 Ca 0.09 -2.64 0.12 0.00 1.01 0.00 0.00 57.45 56.03 1u9i n PHE 483 Cb 0.60 -1.46 0.33 0.00 -0.01 0.00 0.00 39.48 38.94 1u9i n PHE 483 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1u9i h ARG 484 N 5.19 0.75 -0.98 -1.08 2.43 -1.94 -2.22 114.38 116.52 1u9i h ARG 484 Ca 0.36 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.33 1u9i h ARG 484 Cb 0.53 -0.17 -0.09 0.00 -0.42 0.00 0.00 29.97 29.82 1u9i h ARG 484 CO 1.39 0.50 0.19 0.27 -1.51 0.00 0.00 179.97 180.81 1u9i n ASN 485 N -4.69 3.17 -4.16 -3.80 6.94 -1.26 -4.89 115.26 106.57 1u9i n ASN 485 Ca 0.22 -2.51 -0.15 0.00 -0.02 0.00 0.00 54.58 52.12 1u9i n ASN 485 Cb 0.53 -0.61 -0.11 0.00 -2.36 0.00 0.00 39.78 37.24 1u9i n ASN 485 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1u9i s PHE 486 N -1.16 1.02 0.31 -2.53 0.40 -0.84 -2.25 117.98 112.93 1u9i s PHE 486 Ca 0.19 -0.62 0.10 0.00 -0.60 0.00 0.00 56.93 56.00 1u9i s PHE 486 Cb 0.16 -0.57 -0.05 0.00 0.51 0.00 0.00 43.02 43.07 1u9i s PHE 486 CO 0.04 -0.01 -0.07 -1.21 0.70 0.00 0.00 175.22 174.67 1u9i s GLU 487 N -2.52 1.96 -1.53 0.44 2.02 -1.21 -4.76 118.70 113.09 1u9i s GLU 487 Ca 0.02 -1.73 -0.07 0.00 0.02 0.00 0.00 54.97 53.22 1u9i s GLU 487 Cb -0.04 -1.89 0.06 0.00 0.10 0.00 0.00 34.13 32.36 1u9i s GLU 487 CO 0.00 0.23 0.50 0.54 0.02 0.00 0.00 175.26 176.56 1u9i n ARG 488 N -0.82 -2.98 0.24 1.61 1.74 -1.26 -1.21 116.66 113.98 1u9i n ARG 488 Ca -0.05 0.36 0.13 0.00 -0.77 0.00 0.00 57.85 57.52 1u9i n ARG 488 Cb 0.61 -4.62 0.48 0.00 -1.02 0.00 0.00 32.46 27.91 1u9i n ARG 488 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1u9i h ILE 489 N -1.71 0.23 0.00 0.55 1.08 -1.89 -2.76 117.51 113.01 1u9i h ILE 489 Ca -0.62 -0.90 -0.10 0.00 -0.39 0.00 0.00 64.86 62.86 1u9i h ILE 489 Cb 1.38 1.74 -0.01 0.00 -3.07 0.00 0.00 36.82 36.85 1u9i h ILE 489 CO 0.69 0.10 -0.45 0.40 -0.69 0.00 0.00 178.15 178.20 1u9i h ILE 490 N 0.00 0.87 -0.20 -0.67 2.04 -1.96 -3.02 117.51 114.57 1u9i h ILE 490 Ca -0.00 -1.94 -0.07 0.00 1.00 0.00 0.00 64.86 63.85 1u9i h ILE 490 Cb 0.73 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 39.02 1u9i h ILE 490 CO 0.01 0.45 -0.18 0.77 0.00 0.00 0.00 178.15 179.20 1u9i h SER 491 N 0.00 0.32 0.00 1.72 4.64 -1.87 -3.33 113.55 115.03 1u9i h SER 491 Ca -0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1u9i h SER 491 Cb 1.19 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1u9i h SER 491 CO 0.06 0.53 0.00 0.61 -0.87 0.00 0.00 176.83 177.16 1u9i n GLY 492 N -0.65 1.64 3.01 -0.77 0.00 -1.14 -1.72 105.19 105.55 1u9i n GLY 492 Ca -0.00 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1u9i n GLY 492 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u9i s SER 493 N -0.18 5.26 1.13 1.61 0.01 -1.26 0.25 113.70 120.53 1u9i s SER 493 Ca 0.00 -3.56 -0.12 0.00 1.31 0.00 0.00 55.95 53.58 1u9i s SER 493 Cb 0.00 -1.77 0.19 0.00 0.21 0.00 0.00 66.02 64.64 1u9i s SER 493 CO 0.00 -0.18 0.42 -2.65 0.41 0.00 0.00 173.24 171.24 1u9i n PRO 494 N 2.46 -2.80 -3.31 12.44 -0.02 -1.23 -4.87 135.00 137.67 1u9i n PRO 494 Ca 0.17 -0.71 -0.24 0.00 -2.02 0.00 0.00 63.50 60.70 1u9i n PRO 494 Cb 0.36 -1.01 -0.09 0.00 -0.02 0.00 0.00 33.50 32.74 1u9i n PRO 494 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1u9i s THR 495 N -1.55 0.17 -0.18 3.45 2.01 -0.35 -4.92 115.64 114.26 1u9i s THR 495 Ca 0.32 -2.44 -0.40 0.00 0.31 0.00 0.00 61.69 59.49 1u9i s THR 495 Cb -0.06 -1.10 -0.17 0.00 0.01 0.00 0.00 72.50 71.19 1u9i s THR 495 CO 0.27 -1.09 1.56 -2.11 -0.69 0.00 0.00 174.62 172.57 1u9i n ARG 496 N 2.87 0.93 0.00 4.92 1.85 -1.26 -3.30 116.66 122.67 1u9i n ARG 496 Ca 0.28 0.34 0.00 0.00 -1.00 0.00 0.00 57.85 57.47 1u9i n ARG 496 Cb 0.49 -1.98 0.00 0.00 -1.05 0.00 0.00 32.46 29.92 1u9i n ARG 496 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06