#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d7m s LYS 35 N 0.00 2.54 0.09 5.55 2.20 -1.26 -0.10 119.74 128.77 3d7m s LYS 35 Ca 0.00 -0.81 0.07 0.00 -0.36 0.00 0.00 55.97 54.87 3d7m s LYS 35 Cb 0.00 -2.44 -0.04 0.00 -1.51 0.00 0.00 37.83 33.84 3d7m s LYS 35 CO 0.00 -0.29 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.10 3d7m s LEU 36 N 1.35 3.07 -0.12 5.43 1.43 -1.13 -0.56 118.68 128.15 3d7m s LEU 36 Ca 0.02 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 3d7m s LEU 36 Cb -0.14 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.24 3d7m s LEU 36 CO -0.11 0.19 -0.20 -0.76 0.23 0.00 0.00 176.35 175.70 3d7m s LEU 37 N -2.11 1.99 -0.71 1.79 1.43 -0.83 -2.03 118.68 118.20 3d7m s LEU 37 Ca 0.21 -0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 52.60 3d7m s LEU 37 Cb -0.11 -1.32 0.15 0.00 0.03 0.00 0.00 46.19 44.94 3d7m s LEU 37 CO 0.13 0.07 0.74 -0.76 0.23 0.00 0.00 176.35 176.77 3d7m s LEU 38 N 0.79 5.99 0.08 1.79 1.43 -0.39 -0.86 118.68 127.51 3d7m s LEU 38 Ca -0.09 -2.03 0.05 0.00 -1.03 0.00 0.00 54.13 51.03 3d7m s LEU 38 Cb -0.16 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 3d7m s LEU 38 CO -0.00 -0.87 -0.02 -0.76 0.23 0.00 0.00 176.35 174.93 3d7m s LEU 39 N 1.58 3.38 0.00 1.79 1.43 -0.58 -3.64 118.68 122.65 3d7m s LEU 39 Ca 0.15 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 3d7m s LEU 39 Cb -0.18 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 43.94 3d7m s LEU 39 CO -0.02 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.36 3d7m n GLY 40 N 0.69 -0.52 0.00 -3.19 0.00 -1.26 -0.97 105.19 99.94 3d7m n GLY 40 Ca -0.12 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3d7m n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d7m n ALA 41 N -0.23 0.00 -1.77 4.61 0.00 -1.26 -4.08 120.51 117.79 3d7m n ALA 41 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 3d7m n ALA 41 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3d7m n ALA 41 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3d7m s GLY 42 N -2.74 2.98 -1.15 0.00 0.00 0.27 -3.19 107.32 103.50 3d7m s GLY 42 Ca 0.00 1.09 -0.04 0.00 0.00 0.00 0.00 44.72 45.77 3d7m s GLY 42 CO 0.00 1.69 0.23 1.18 0.00 0.00 0.00 173.10 176.19 3d7m n GLU 43 N 0.66 -2.88 0.13 2.90 1.02 -1.26 -4.84 120.64 116.37 3d7m n GLU 43 Ca 0.01 0.56 0.13 0.00 -0.02 0.00 0.00 57.16 57.84 3d7m n GLU 43 Cb 0.44 -5.22 0.35 0.00 -0.02 0.00 0.00 31.44 26.99 3d7m n GLU 43 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3d7m h SER 44 N -0.46 0.00 0.00 1.62 4.64 -1.86 -3.45 113.55 114.03 3d7m h SER 44 Ca -0.35 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3d7m h SER 44 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3d7m h SER 44 CO 0.42 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.99 3d7m n GLY 45 N 1.27 0.96 0.38 -0.77 0.00 -1.26 -4.21 105.19 101.56 3d7m n GLY 45 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 3d7m n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d7m h LYS 46 N 1.34 -0.26 -0.14 1.61 1.57 -1.91 -0.39 116.57 118.38 3d7m h LYS 46 Ca 0.00 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3d7m h LYS 46 Cb 0.00 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3d7m h LYS 46 CO 0.00 -0.17 0.01 0.77 -0.57 0.00 0.00 179.45 179.49 3d7m h SER 47 N -0.27 0.18 0.97 0.86 0.02 -1.96 -1.76 113.55 111.59 3d7m h SER 47 Ca 0.17 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.02 3d7m h SER 47 Cb 0.57 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 3d7m h SER 47 CO -0.62 0.21 -0.39 0.74 -1.14 0.00 0.00 176.83 175.63 3d7m h THR 48 N 0.20 0.86 0.01 -2.27 2.02 -1.48 -2.42 112.91 109.83 3d7m h THR 48 Ca 0.05 -1.64 -0.22 0.00 0.77 0.00 0.00 66.41 65.38 3d7m h THR 48 Cb 0.12 2.01 -0.00 0.00 -1.74 0.00 0.00 68.15 68.54 3d7m h THR 48 CO 0.00 0.39 -0.93 0.40 0.37 0.00 0.00 175.52 175.75 3d7m h ILE 49 N 0.00 1.44 0.59 3.11 1.08 -0.32 -3.10 117.51 120.31 3d7m h ILE 49 Ca -0.00 -2.55 -0.03 0.00 -0.39 0.00 0.00 64.86 61.89 3d7m h ILE 49 Cb 0.98 2.46 0.01 0.00 -3.07 0.00 0.00 36.82 37.20 3d7m h ILE 49 CO 0.05 0.75 -0.28 0.58 -0.69 0.00 0.00 178.15 178.56 3d7m h VAL 50 N 0.17 0.41 -1.11 1.67 2.07 -1.09 -2.50 116.25 115.88 3d7m h VAL 50 Ca -0.07 -0.02 0.35 0.00 0.82 0.00 0.00 66.70 67.78 3d7m h VAL 50 Cb 1.56 0.43 -0.13 0.00 -1.52 0.00 0.00 31.29 31.63 3d7m h VAL 50 CO 0.15 0.00 0.67 0.11 0.02 0.00 0.00 177.57 178.53 3d7m h LYS 51 N -0.81 0.24 0.00 1.57 1.57 -1.51 1.11 116.57 118.74 3d7m h LYS 51 Ca -0.08 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 3d7m h LYS 51 Cb 0.62 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 3d7m h LYS 51 CO 0.13 0.16 -0.18 1.96 -0.57 0.00 0.00 179.45 180.95 3d7m h GLN 52 N 0.25 0.00 -0.34 3.15 1.08 -1.37 -2.47 115.11 115.40 3d7m h GLN 52 Ca 0.74 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.87 3d7m h GLN 52 Cb 1.95 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.37 3d7m h GLN 52 CO -0.50 0.18 -0.06 0.52 -0.95 0.00 0.00 178.83 178.02 3d7m h MET 53 N 0.00 0.64 0.00 1.46 2.86 0.15 -0.82 114.93 119.22 3d7m h MET 53 Ca -0.00 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.38 3d7m h MET 53 Cb 0.38 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 3d7m h MET 53 CO 0.02 0.80 -0.11 -0.22 1.06 0.00 0.00 176.91 178.47 3d7m h LYS 54 N 0.43 0.00 0.21 1.72 3.64 -1.33 -0.53 116.57 120.71 3d7m h LYS 54 Ca 0.09 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.13 3d7m h LYS 54 Cb 0.55 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.39 3d7m h LYS 54 CO 0.03 0.11 -1.59 0.82 -2.27 0.00 0.00 179.45 176.54 3d7m h ILE 55 N 0.00 1.13 0.18 2.00 2.04 -1.14 -2.17 117.51 119.54 3d7m h ILE 55 Ca -0.00 -2.65 -0.31 0.00 1.00 0.00 0.00 64.86 62.90 3d7m h ILE 55 Cb 0.24 2.89 0.03 0.00 -0.74 0.00 0.00 36.82 39.24 3d7m h ILE 55 CO 0.01 0.84 -1.34 0.00 0.00 0.00 0.00 178.15 177.66 3d7m n HIS 57 N -3.70 0.00 -4.47 0.00 8.25 -0.22 -4.98 115.22 110.11 3d7m n HIS 57 Ca -0.14 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.10 3d7m n HIS 57 Cb 1.04 -0.28 -0.11 0.00 1.12 0.00 0.00 29.99 31.77 3d7m n HIS 57 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3d7m s GLU 58 N -3.07 1.66 0.14 -0.41 0.41 -0.82 -5.02 118.70 111.59 3d7m s GLU 58 Ca -0.02 -1.89 -0.31 0.00 -0.41 0.00 0.00 54.97 52.34 3d7m s GLU 58 Cb 0.12 -1.15 -0.09 0.00 -1.78 0.00 0.00 34.13 31.24 3d7m s GLU 58 CO 0.75 -0.05 1.47 0.00 -0.49 0.00 0.00 175.26 176.94 3d7m s ALA 59 N -3.05 3.67 0.19 5.21 0.00 -1.25 -4.11 121.76 122.42 3d7m s ALA 59 Ca 0.33 1.23 -0.31 0.00 0.00 0.00 0.00 51.96 53.20 3d7m s ALA 59 Cb 0.06 -3.58 -0.10 0.00 0.00 0.00 0.00 23.12 19.50 3d7m s ALA 59 CO 0.14 -0.69 1.58 0.20 0.00 0.00 0.00 175.76 176.99 3d7m s GLY 60 N 1.14 1.65 0.00 0.00 0.00 -1.26 -4.71 107.32 104.15 3d7m s GLY 60 Ca 0.67 1.42 0.00 0.00 0.00 0.00 0.00 44.72 46.81 3d7m s GLY 60 CO 0.31 2.62 0.00 -1.72 0.00 0.00 0.00 173.10 174.30 3d7m n TYR 61 N 3.60 0.00 -2.13 1.90 4.02 -1.26 -4.91 117.16 118.38 3d7m n TYR 61 Ca 0.13 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.65 3d7m n TYR 61 Cb 0.38 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.71 3d7m n TYR 61 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3d7m s SER 62 N 0.00 5.63 0.61 7.72 1.04 -1.26 -4.75 113.70 122.69 3d7m s SER 62 Ca 0.00 2.35 0.25 0.00 0.48 0.00 0.00 55.95 59.03 3d7m s SER 62 Cb 0.00 -2.60 1.14 0.00 0.10 0.00 0.00 66.02 64.66 3d7m s SER 62 CO 0.00 -1.29 1.58 -0.33 0.98 0.00 0.00 173.24 174.18 3d7m h GLU 63 N 1.37 0.00 0.02 4.02 5.08 -1.94 0.56 114.58 123.69 3d7m h GLU 63 Ca -0.50 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.54 3d7m h GLU 63 Cb 1.27 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.47 3d7m h GLU 63 CO 0.57 0.00 -1.90 -1.91 -1.00 0.00 0.00 179.01 174.78 3d7m n GLU 64 N -3.31 0.66 0.27 2.33 4.07 -1.26 -2.50 120.64 120.90 3d7m n GLU 64 Ca 0.12 0.24 0.14 0.00 -0.06 0.00 0.00 57.16 57.60 3d7m n GLU 64 Cb 1.00 -1.73 0.79 0.00 -0.06 0.00 0.00 31.44 31.45 3d7m n GLU 64 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 3d7m h GLU 65 N 0.01 0.00 0.00 5.31 4.57 -0.31 -1.27 114.58 122.90 3d7m h GLU 65 Ca -0.36 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.77 3d7m h GLU 65 Cb 2.05 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.64 3d7m h GLU 65 CO 0.07 0.08 -0.26 0.00 -1.18 0.00 0.00 179.01 177.72 3d7m h LYS 67 N -1.00 0.00 0.00 0.00 1.57 -1.11 0.43 116.57 116.47 3d7m h LYS 67 Ca -0.07 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 3d7m h LYS 67 Cb 0.99 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 3d7m h LYS 67 CO -0.04 0.00 -0.17 1.96 -0.57 0.00 0.00 179.45 180.63 3d7m h GLN 68 N 0.00 0.00 -0.19 3.15 4.20 -1.31 -2.20 115.11 118.76 3d7m h GLN 68 Ca 0.53 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.24 3d7m h GLN 68 Cb 2.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 30.04 3d7m h GLN 68 CO -0.01 0.17 0.00 0.66 -0.67 0.00 0.00 178.83 178.98 3d7m n TYR 69 N -3.66 0.24 -0.22 2.96 4.02 0.15 -4.34 117.16 116.31 3d7m n TYR 69 Ca -0.01 -0.12 -0.06 0.00 -0.01 0.00 0.00 57.90 57.70 3d7m n TYR 69 Cb 0.29 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.65 3d7m n TYR 69 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 3d7m h LYS 70 N 3.03 0.82 -0.48 -0.72 3.64 -1.32 -0.72 116.57 120.81 3d7m h LYS 70 Ca 0.00 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.20 3d7m h LYS 70 Cb 0.66 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 3d7m h LYS 70 CO 0.00 0.55 -0.17 0.00 -2.27 0.00 0.00 179.45 177.56 3d7m h ALA 71 N 1.22 0.78 -0.42 5.00 0.00 -1.78 -1.73 119.26 122.33 3d7m h ALA 71 Ca 0.22 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3d7m h ALA 71 Cb -0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3d7m h ALA 71 CO -0.05 0.66 -0.09 0.28 0.00 0.00 0.00 179.25 180.05 3d7m h VAL 72 N 0.83 1.25 0.74 0.00 2.07 -1.73 -0.36 116.25 119.05 3d7m h VAL 72 Ca 0.12 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 3d7m h VAL 72 Cb 0.72 1.03 0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3d7m h VAL 72 CO 0.06 0.38 -0.36 0.58 0.02 0.00 0.00 177.57 178.25 3d7m h VAL 73 N 0.67 0.16 -1.12 2.57 2.07 -1.02 0.15 116.25 119.72 3d7m h VAL 73 Ca 0.12 -0.19 0.31 0.00 0.82 0.00 0.00 66.70 67.76 3d7m h VAL 73 Cb 0.54 0.19 -0.08 0.00 -1.52 0.00 0.00 31.29 30.43 3d7m h VAL 73 CO 0.03 0.01 0.76 1.88 0.02 0.00 0.00 177.57 180.27 3d7m h TYR 74 N -1.15 0.37 0.12 1.57 0.05 -1.19 0.89 116.97 117.64 3d7m h TYR 74 Ca -0.10 0.01 -0.29 0.00 0.05 0.00 0.00 58.73 58.40 3d7m h TYR 74 Cb 0.78 -0.11 0.02 0.00 1.01 0.00 0.00 36.73 38.44 3d7m h TYR 74 CO -0.00 0.01 -1.24 1.03 -1.05 0.00 0.00 178.16 176.91 3d7m h SER 75 N 0.21 0.77 -0.06 3.88 0.87 -0.66 -3.11 113.55 115.45 3d7m h SER 75 Ca 0.60 -0.73 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 3d7m h SER 75 Cb 1.90 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 63.61 3d7m h SER 75 CO -0.19 1.54 0.00 0.78 -0.53 0.00 0.00 176.83 178.44 3d7m h ASN 76 N 0.23 0.11 -0.20 6.23 -0.26 0.15 -2.69 115.58 119.15 3d7m h ASN 76 Ca -0.18 -0.30 0.04 0.00 -0.56 0.00 0.00 56.30 55.30 3d7m h ASN 76 Cb 1.92 -0.03 -0.07 0.00 -1.06 0.00 0.00 38.32 39.08 3d7m h ASN 76 CO 0.23 0.38 -0.49 0.74 -1.06 0.00 0.00 177.43 177.23 3d7m h THR 77 N -0.17 0.06 0.40 2.81 2.02 -1.07 0.45 112.91 117.40 3d7m h THR 77 Ca 0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 3d7m h THR 77 Cb 0.33 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 3d7m h THR 77 CO 0.00 0.00 -0.32 0.40 0.37 0.00 0.00 175.52 175.98 3d7m h ILE 78 N -0.50 0.34 -0.95 3.11 5.03 -1.58 -1.06 117.51 121.90 3d7m h ILE 78 Ca 0.07 0.00 0.22 0.00 -0.12 0.00 0.00 64.86 65.02 3d7m h ILE 78 Cb 0.65 0.34 -0.08 0.00 -3.03 0.00 0.00 36.82 34.70 3d7m h ILE 78 CO -0.46 0.00 0.62 1.56 -0.68 0.00 0.00 178.15 179.19 3d7m h GLN 79 N -0.71 0.42 0.04 2.37 4.20 -1.33 0.10 115.11 120.20 3d7m h GLN 79 Ca -0.03 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3d7m h GLN 79 Cb 0.62 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3d7m h GLN 79 CO -0.01 0.28 -0.02 0.77 -0.67 0.00 0.00 178.83 179.18 3d7m h SER 80 N 0.44 -0.04 -0.28 1.46 0.02 0.33 -2.00 113.55 113.47 3d7m h SER 80 Ca 0.51 -0.10 -0.18 0.00 -0.84 0.00 0.00 61.79 61.18 3d7m h SER 80 Cb 1.22 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.78 3d7m h SER 80 CO -0.22 0.07 -0.52 -0.29 -1.14 0.00 0.00 176.83 174.73 3d7m h ILE 81 N -0.16 1.28 -0.27 3.27 6.09 -0.39 -3.06 117.51 124.27 3d7m h ILE 81 Ca -0.01 -1.71 -0.00 0.00 -1.37 0.00 0.00 64.86 61.77 3d7m h ILE 81 Cb 0.14 1.65 -0.01 0.00 0.47 0.00 0.00 36.82 39.07 3d7m h ILE 81 CO 0.01 0.56 0.16 0.40 -3.07 0.00 0.00 178.15 176.20 3d7m h ILE 82 N 0.63 1.09 -0.47 2.19 2.04 -0.87 -2.38 117.51 119.74 3d7m h ILE 82 Ca 0.01 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.58 3d7m h ILE 82 Cb 1.13 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 3d7m h ILE 82 CO 0.12 0.09 -0.07 0.00 0.00 0.00 0.00 178.15 178.29 3d7m h ALA 83 N 1.80 1.00 0.42 1.87 0.00 -1.26 -2.27 119.26 120.82 3d7m h ALA 83 Ca 0.10 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3d7m h ALA 83 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3d7m h ALA 83 CO -0.02 0.60 -0.20 0.82 0.00 0.00 0.00 179.25 180.45 3d7m h ILE 84 N 0.75 0.50 -0.77 0.00 1.08 -1.43 -1.48 117.51 116.16 3d7m h ILE 84 Ca 0.13 -0.50 0.17 0.00 -0.39 0.00 0.00 64.86 64.27 3d7m h ILE 84 Cb 0.55 0.70 -0.05 0.00 -3.07 0.00 0.00 36.82 34.95 3d7m h ILE 84 CO 0.03 0.08 0.52 0.40 -0.69 0.00 0.00 178.15 178.49 3d7m h ILE 85 N -0.89 0.75 0.00 -0.67 2.04 -1.51 0.49 117.51 117.73 3d7m h ILE 85 Ca -0.06 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.62 3d7m h ILE 85 Cb 0.56 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3d7m h ILE 85 CO 0.09 0.06 -0.31 0.03 0.00 0.00 0.00 178.15 178.02 3d7m h ARG 86 N 0.35 0.00 0.02 2.37 3.08 -1.32 -3.24 114.38 115.64 3d7m h ARG 86 Ca 0.38 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 60.16 3d7m h ARG 86 Cb 0.98 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.05 3d7m h ARG 86 CO -0.11 0.31 -1.06 0.00 -1.07 0.00 0.00 179.97 178.04 3d7m h ALA 87 N 1.69 0.10 0.19 0.04 0.00 0.98 -3.10 119.26 119.15 3d7m h ALA 87 Ca -0.00 -0.70 0.01 0.00 0.00 0.00 0.00 54.91 54.21 3d7m h ALA 87 Cb 1.09 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3d7m h ALA 87 CO 0.04 0.67 -0.23 0.52 0.00 0.00 0.00 179.25 180.25 3d7m h MET 88 N 0.35 -0.45 -0.13 0.00 2.86 -1.03 -0.49 114.93 116.05 3d7m h MET 88 Ca -0.14 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.57 3d7m h MET 88 Cb 1.72 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 33.48 3d7m h MET 88 CO 0.21 -0.30 0.12 0.78 1.06 0.00 0.00 176.91 178.78 3d7m h GLY 89 N -0.46 0.00 1.49 8.32 0.00 -1.64 0.80 103.07 111.58 3d7m h GLY 89 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.05 3d7m h GLY 89 CO -0.08 0.00 -1.35 -0.09 0.00 0.00 0.00 176.54 175.02 3d7m h ARG 90 N 0.00 0.25 -0.22 4.80 2.43 -1.35 -3.20 114.38 117.09 3d7m h ARG 90 Ca 0.06 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 3d7m h ARG 90 Cb 0.31 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3d7m h ARG 90 CO -0.00 1.16 0.00 1.28 -1.51 0.00 0.00 179.97 180.90 3d7m n LEU 91 N -3.49 2.17 -2.97 3.80 4.77 -0.24 -4.93 117.00 116.11 3d7m n LEU 91 Ca -0.11 -0.91 -0.22 0.00 -0.03 0.00 0.00 56.01 54.73 3d7m n LEU 91 Cb 1.03 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 42.01 3d7m n LEU 91 CO 0.52 0.46 -0.03 0.29 -1.33 0.00 0.00 177.39 177.30 3d7m n LYS 92 N 0.66 -4.62 -3.18 3.23 4.76 0.23 -4.99 118.16 114.24 3d7m n LYS 92 Ca 0.17 0.92 -0.32 0.00 -2.87 0.00 0.00 58.31 56.20 3d7m n LYS 92 Cb 0.41 -5.77 -0.06 0.00 -1.84 0.00 0.00 35.03 27.77 3d7m n LYS 92 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3d7m s ILE 93 N -3.17 4.75 0.32 -0.18 1.01 0.14 -4.97 121.20 119.10 3d7m s ILE 93 Ca 0.28 0.81 0.09 0.00 0.00 0.00 0.00 60.65 61.83 3d7m s ILE 93 Cb -0.12 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 3d7m s ILE 93 CO 0.35 -0.18 0.09 -1.81 0.00 0.00 0.00 174.94 173.38 3d7m s ASP 94 N -2.36 4.61 1.00 3.58 1.01 -1.26 -4.38 116.67 118.87 3d7m s ASP 94 Ca 0.52 -0.75 -0.10 0.00 0.71 0.00 0.00 52.55 52.94 3d7m s ASP 94 Cb -0.10 -0.76 0.13 0.00 1.01 0.00 0.00 42.92 43.20 3d7m s ASP 94 CO 0.19 -0.20 0.76 0.49 0.21 0.00 0.00 175.17 176.62 3d7m n PHE 95 N -1.06 -3.98 -0.09 4.23 3.72 -1.26 -4.39 117.46 114.62 3d7m n PHE 95 Ca -0.04 -0.67 -0.11 0.00 -0.05 0.00 0.00 57.45 56.57 3d7m n PHE 95 Cb 0.61 -0.59 -0.11 0.00 -0.94 0.00 0.00 39.48 38.44 3d7m n PHE 95 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d7m n GLY 96 N -0.04 -0.55 3.23 1.37 0.00 -1.26 -4.63 105.19 103.30 3d7m n GLY 96 Ca 0.10 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 3d7m n GLY 96 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3d7m s ASP 97 N -5.50 2.47 0.00 1.61 -1.08 -1.26 -5.01 116.67 107.90 3d7m s ASP 97 Ca -0.18 -0.39 0.02 0.00 -0.52 0.00 0.00 52.55 51.47 3d7m s ASP 97 Cb 0.06 -0.27 0.10 0.00 -1.46 0.00 0.00 42.92 41.35 3d7m s ASP 97 CO 0.58 0.25 0.91 0.00 0.52 0.00 0.00 175.17 177.43 3d7m n ALA 98 N 2.49 2.35 1.18 3.66 0.00 -1.26 -2.88 120.51 126.05 3d7m n ALA 98 Ca -0.15 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.39 3d7m n ALA 98 Cb 0.53 -1.03 0.38 0.00 0.00 0.00 0.00 19.45 19.33 3d7m n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d7m n ALA 99 N -0.53 2.52 1.41 0.00 0.00 -1.26 -3.84 120.51 118.81 3d7m n ALA 99 Ca 0.01 -0.56 0.15 0.00 0.00 0.00 0.00 53.44 53.04 3d7m n ALA 99 Cb 0.01 -1.07 0.74 0.00 0.00 0.00 0.00 19.45 19.13 3d7m n ALA 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3d7m n ARG 100 N 0.46 0.43 0.15 0.00 5.12 -1.14 -3.36 116.66 118.32 3d7m n ARG 100 Ca 0.17 -0.01 -0.10 0.00 -1.93 0.00 0.00 57.85 55.97 3d7m n ARG 100 Cb 0.38 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.12 3d7m n ARG 100 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3d7m h ALA 101 N 3.42 -0.44 -0.72 7.54 0.00 -1.85 -0.22 119.26 127.00 3d7m h ALA 101 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3d7m h ALA 101 Cb 0.30 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3d7m h ALA 101 CO 0.00 -0.47 0.43 0.22 0.00 0.00 0.00 179.25 179.43 3d7m h ASP 102 N -0.99 0.87 0.78 0.00 1.82 -1.84 0.62 116.42 117.68 3d7m h ASP 102 Ca -0.04 -0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.49 3d7m h ASP 102 Cb 0.49 -0.22 0.01 0.00 0.68 0.00 0.00 39.33 40.29 3d7m h ASP 102 CO 0.07 0.68 -0.37 0.44 -1.61 0.00 0.00 179.24 178.45 3d7m h ASP 103 N 0.98 -0.89 -0.00 2.28 3.32 -1.62 0.24 116.42 120.74 3d7m h ASP 103 Ca 0.26 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3d7m h ASP 103 Cb -0.02 0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 3d7m h ASP 103 CO -0.05 -0.56 0.01 0.00 -1.72 0.00 0.00 179.24 176.92 3d7m h ALA 104 N -1.38 1.22 0.08 3.45 0.00 -1.03 0.18 119.26 121.78 3d7m h ALA 104 Ca -0.11 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3d7m h ALA 104 Cb 0.80 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.60 3d7m h ALA 104 CO 0.18 -0.01 -0.49 -0.09 0.00 0.00 0.00 179.25 178.83 3d7m h ARG 105 N 0.00 0.16 0.00 0.00 1.12 -0.65 -2.95 114.38 112.06 3d7m h ARG 105 Ca 0.00 -0.27 -0.05 0.00 -1.11 0.00 0.00 59.98 58.55 3d7m h ARG 105 Cb 0.02 0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.08 3d7m h ARG 105 CO -0.00 1.13 -0.23 1.96 -3.11 0.00 0.00 179.97 179.72 3d7m h GLN 106 N -0.66 0.00 -0.56 0.20 1.08 0.16 -1.47 115.11 113.87 3d7m h GLN 106 Ca -0.09 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.04 3d7m h GLN 106 Cb 1.36 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.77 3d7m h GLN 106 CO 0.07 0.23 0.08 1.25 -0.95 0.00 0.00 178.83 179.52 3d7m h LEU 107 N 0.00 0.90 -0.26 1.46 5.85 -0.71 -0.49 115.31 122.05 3d7m h LEU 107 Ca -0.00 -0.27 -0.21 0.00 0.84 0.00 0.00 57.88 58.24 3d7m h LEU 107 Cb 0.64 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3d7m h LEU 107 CO 0.03 0.94 -0.84 -0.26 -0.34 0.00 0.00 178.44 177.97 3d7m h PHE 108 N 0.82 0.64 -0.04 1.25 0.04 -1.26 -2.04 116.94 116.36 3d7m h PHE 108 Ca 0.17 -0.31 -0.00 0.00 2.80 0.00 0.00 57.97 60.62 3d7m h PHE 108 Cb 0.43 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 3d7m h PHE 108 CO 0.03 1.11 0.02 0.28 -0.60 0.00 0.00 178.31 179.15 3d7m h VAL 109 N 0.28 1.10 -0.49 -0.55 2.07 -1.14 -3.01 116.25 114.51 3d7m h VAL 109 Ca -0.06 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 3d7m h VAL 109 Cb 1.45 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 3d7m h VAL 109 CO 0.15 0.08 0.05 -0.07 0.02 0.00 0.00 177.57 177.80 3d7m h LEU 110 N -0.06 0.81 1.01 2.57 3.38 -1.17 -3.51 115.31 118.35 3d7m h LEU 110 Ca 0.01 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3d7m h LEU 110 Cb 0.11 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3d7m h LEU 110 CO -0.00 0.89 0.00 0.00 0.09 0.00 0.00 178.44 179.41 3d7m n ALA 111 N -2.42 -0.25 1.43 1.53 0.00 -0.77 -5.11 120.51 114.93 3d7m n ALA 111 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.59 3d7m n ALA 111 Cb 0.28 -0.18 0.53 0.00 0.00 0.00 0.00 19.45 20.08 3d7m n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d7m n ALA 121 N -0.83 2.80 0.36 0.00 0.00 -1.26 -5.09 120.51 116.49 3d7m n ALA 121 Ca 0.00 -0.36 0.09 0.00 0.00 0.00 0.00 53.44 53.17 3d7m n ALA 121 Cb 0.13 -1.23 0.40 0.00 0.00 0.00 0.00 19.45 18.74 3d7m n ALA 121 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3d7m n GLU 122 N -0.51 0.11 -0.17 0.00 1.02 -1.26 -1.99 120.64 117.84 3d7m n GLU 122 Ca 0.16 0.41 0.14 0.00 -0.02 0.00 0.00 57.16 57.84 3d7m n GLU 122 Cb 0.31 -1.73 0.47 0.00 -0.02 0.00 0.00 31.44 30.48 3d7m n GLU 122 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3d7m h LEU 123 N 0.00 0.45 0.30 -4.62 5.85 -1.98 -0.70 115.31 114.60 3d7m h LEU 123 Ca 0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3d7m h LEU 123 Cb 0.24 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3d7m h LEU 123 CO 0.00 0.24 -0.14 0.00 -0.34 0.00 0.00 178.44 178.20 3d7m h ALA 124 N 1.64 -1.02 -0.86 1.25 0.00 -1.83 0.13 119.26 118.58 3d7m h ALA 124 Ca 0.37 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.39 3d7m h ALA 124 Cb 0.75 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.57 3d7m h ALA 124 CO -0.13 -0.99 0.35 0.78 0.00 0.00 0.00 179.25 179.27 3d7m h GLY 125 N -0.43 1.40 0.90 0.00 0.00 -1.66 0.51 103.07 103.79 3d7m h GLY 125 Ca -0.04 -0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.16 3d7m h GLY 125 CO 0.07 -0.22 0.38 -2.08 0.00 0.00 0.00 176.54 174.69 3d7m h VAL 126 N 0.40 1.09 -0.26 4.60 2.07 -1.04 0.30 116.25 123.41 3d7m h VAL 126 Ca 0.52 -0.26 -0.15 0.00 0.82 0.00 0.00 66.70 67.62 3d7m h VAL 126 Cb 0.93 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3d7m h VAL 126 CO -0.50 0.14 -0.46 -0.29 0.02 0.00 0.00 177.57 176.48 3d7m h ILE 127 N 0.76 1.30 0.20 4.57 6.09 0.20 -2.95 117.51 127.67 3d7m h ILE 127 Ca 0.24 -1.65 -0.00 0.00 -1.37 0.00 0.00 64.86 62.08 3d7m h ILE 127 Cb -0.00 1.58 -0.01 0.00 0.47 0.00 0.00 36.82 38.86 3d7m h ILE 127 CO -0.09 0.53 -0.13 0.11 -3.07 0.00 0.00 178.15 175.49 3d7m h LYS 128 N 0.54 -0.32 -0.99 2.19 1.57 0.14 -0.86 116.57 118.85 3d7m h LYS 128 Ca 0.03 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 3d7m h LYS 128 Cb 1.00 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 33.32 3d7m h LYS 128 CO 0.09 -0.21 0.64 0.00 -0.57 0.00 0.00 179.45 179.41 3d7m h ARG 129 N -0.33 1.14 -0.43 3.15 3.08 -0.52 -1.58 114.38 118.89 3d7m h ARG 129 Ca -0.01 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3d7m h ARG 129 Cb 0.28 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3d7m h ARG 129 CO 0.01 0.75 0.21 -0.07 -1.07 0.00 0.00 179.97 179.80 3d7m h LEU 130 N 1.17 0.57 -2.42 3.04 3.38 -1.25 -2.64 115.31 117.16 3d7m h LEU 130 Ca 0.42 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 3d7m h LEU 130 Cb 0.15 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3d7m h LEU 130 CO -0.16 0.54 -0.01 -0.25 0.09 0.00 0.00 178.44 178.64 3d7m h TRP 131 N 0.56 0.00 0.00 1.13 -0.00 -0.17 -3.05 115.95 114.42 3d7m h TRP 131 Ca 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.03 3d7m h TRP 131 Cb 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.28 3d7m h TRP 131 CO -0.01 0.01 -0.09 0.87 -0.00 0.00 0.00 178.44 179.22 3d7m h LYS 132 N 0.00 0.00 -1.16 2.65 1.57 -1.13 -3.42 116.57 115.07 3d7m h LYS 132 Ca -0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 3d7m h LYS 132 Cb 0.03 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.35 3d7m h LYS 132 CO 0.00 0.16 0.01 -3.47 -0.57 0.00 0.00 179.45 175.58 3d7m n ASP 133 N -4.73 0.00 0.02 0.86 2.03 -1.07 -4.56 116.55 109.11 3d7m n ASP 133 Ca -0.03 0.23 0.09 0.00 0.52 0.00 0.00 54.79 55.60 3d7m n ASP 133 Cb 0.11 -0.18 0.52 0.00 -0.72 0.00 0.00 41.12 40.86 3d7m n ASP 133 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3d7m h SER 134 N 0.59 0.29 -0.33 1.67 4.64 -1.93 -1.51 113.55 116.97 3d7m h SER 134 Ca -0.10 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 3d7m h SER 134 Cb 0.28 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3d7m h SER 134 CO 0.13 0.20 0.09 1.23 -0.87 0.00 0.00 176.83 177.60 3d7m h GLY 135 N 0.34 0.57 0.95 -0.77 0.00 -1.82 0.14 103.07 102.47 3d7m h GLY 135 Ca 0.18 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 3d7m h GLY 135 CO -0.04 0.33 -0.42 -2.08 0.00 0.00 0.00 176.54 174.32 3d7m h VAL 136 N 0.38 0.08 -0.79 4.60 2.07 -1.62 -2.53 116.25 118.45 3d7m h VAL 136 Ca 0.11 -0.07 0.10 0.00 0.82 0.00 0.00 66.70 67.65 3d7m h VAL 136 Cb 0.28 0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 30.07 3d7m h VAL 136 CO -0.00 0.00 0.42 1.56 0.02 0.00 0.00 177.57 179.58 3d7m h GLN 137 N -1.25 0.67 -0.82 1.57 1.08 -1.28 -0.68 115.11 114.41 3d7m h GLN 137 Ca -0.12 -0.04 0.11 0.00 -1.45 0.00 0.00 58.65 57.15 3d7m h GLN 137 Cb 0.91 -0.15 -0.06 0.00 -0.05 0.00 0.00 27.48 28.13 3d7m h GLN 137 CO 0.20 0.45 0.53 0.00 -0.95 0.00 0.00 178.83 179.05 3d7m h ALA 138 N 1.46 1.78 0.11 3.87 0.00 -0.66 -2.03 119.26 123.79 3d7m h ALA 138 Ca 0.39 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 55.03 3d7m h ALA 138 Cb 0.42 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.06 3d7m h ALA 138 CO -0.28 0.04 -1.19 0.00 0.00 0.00 0.00 179.25 177.83 3d7m h PHE 140 N 0.12 0.00 -0.29 0.00 3.57 -0.43 -0.72 116.94 119.19 3d7m h PHE 140 Ca -0.13 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.21 3d7m h PHE 140 Cb 1.89 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.63 3d7m h PHE 140 CO 0.07 0.00 -0.44 -0.91 -2.23 0.00 0.00 178.31 174.80 3d7m h ASN 141 N 0.00 0.89 -0.04 0.41 2.35 -1.59 -2.88 115.58 114.71 3d7m h ASN 141 Ca 0.10 -0.51 -0.01 0.00 -0.55 0.00 0.00 56.30 55.32 3d7m h ASN 141 Cb 0.49 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 3d7m h ASN 141 CO -0.00 1.23 0.02 0.54 -1.65 0.00 0.00 177.43 177.56 3d7m n ARG 142 N -4.11 1.16 0.11 0.81 1.74 -0.28 -4.29 116.66 111.80 3d7m n ARG 142 Ca -0.04 -0.18 0.20 0.00 -0.77 0.00 0.00 57.85 57.06 3d7m n ARG 142 Cb 0.57 -1.34 0.74 0.00 -1.02 0.00 0.00 32.46 31.41 3d7m n ARG 142 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3d7m h SER 143 N 0.16 0.00 -0.25 0.55 4.64 -1.50 -1.06 113.55 116.09 3d7m h SER 143 Ca 0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3d7m h SER 143 Cb 0.81 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 3d7m h SER 143 CO 0.04 0.00 0.13 -0.09 -0.87 0.00 0.00 176.83 176.05 3d7m h ARG 144 N 0.00 0.38 0.00 4.77 2.43 -1.88 -2.22 114.38 117.87 3d7m h ARG 144 Ca 0.18 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3d7m h ARG 144 Cb 1.08 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3d7m h ARG 144 CO -0.00 0.30 0.00 0.39 -1.51 0.00 0.00 179.97 179.15 3d7m n GLU 145 N -4.44 0.21 -0.36 0.20 1.02 -0.40 -4.78 120.64 112.10 3d7m n GLU 145 Ca 0.01 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 3d7m n GLU 145 Cb 0.11 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 3d7m n GLU 145 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 3d7m n TYR 146 N -1.17 -0.21 -3.69 -0.32 0.18 -0.83 -5.14 117.16 105.99 3d7m n TYR 146 Ca 0.06 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.47 3d7m n TYR 146 Cb 0.06 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 38.90 3d7m n TYR 146 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 3d7m s GLN 147 N 0.16 3.71 -0.02 -3.48 -0.21 -1.26 -4.98 119.66 113.58 3d7m s GLN 147 Ca 0.00 -0.46 0.01 0.00 0.02 0.00 0.00 55.36 54.93 3d7m s GLN 147 Cb 0.00 -3.46 0.01 0.00 1.00 0.00 0.00 33.01 30.56 3d7m s GLN 147 CO 0.00 -0.22 -0.02 -1.17 -2.12 0.00 0.00 175.29 171.77 3d7m s LEU 148 N 1.66 1.60 0.07 2.90 2.96 -1.26 -4.96 118.68 121.65 3d7m s LEU 148 Ca 0.06 -0.05 -0.35 0.00 -0.22 0.00 0.00 54.13 53.58 3d7m s LEU 148 Cb -0.16 -0.20 -0.14 0.00 0.50 0.00 0.00 46.19 46.19 3d7m s LEU 148 CO 0.06 -0.03 1.60 0.59 -1.32 0.00 0.00 176.35 177.26 3d7m n ASN 149 N 3.55 2.84 -0.35 3.68 3.02 -1.26 -4.84 115.26 121.89 3d7m n ASN 149 Ca -0.20 1.07 0.13 0.00 -0.03 0.00 0.00 54.58 55.56 3d7m n ASN 149 Cb 0.55 -1.35 0.33 0.00 -0.61 0.00 0.00 39.78 38.69 3d7m n ASN 149 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3d7m h ASP 150 N 6.40 0.76 0.00 6.41 3.32 -1.99 0.27 116.42 131.59 3d7m h ASP 150 Ca -0.46 0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3d7m h ASP 150 Cb 1.28 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3d7m h ASP 150 CO 0.88 0.25 0.00 -1.20 -1.72 0.00 0.00 179.24 177.45 3d7m n SER 151 N -4.79 0.00 -0.21 6.45 7.64 -1.26 -4.10 113.62 117.35 3d7m n SER 151 Ca 0.24 -1.12 -0.00 0.00 1.01 0.00 0.00 58.87 58.99 3d7m n SER 151 Cb 0.59 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.90 3d7m n SER 151 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3d7m h ALA 152 N 3.55 0.80 -0.42 -0.43 0.00 -0.81 -0.79 119.26 121.17 3d7m h ALA 152 Ca 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3d7m h ALA 152 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3d7m h ALA 152 CO 0.00 -0.16 -0.18 0.00 0.00 0.00 0.00 179.25 178.91 3d7m h ALA 153 N 1.41 0.58 0.02 0.00 0.00 -1.80 -2.35 119.26 117.12 3d7m h ALA 153 Ca 0.31 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3d7m h ALA 153 Cb 0.36 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3d7m h ALA 153 CO -0.29 0.53 -0.23 -0.92 0.00 0.00 0.00 179.25 178.35 3d7m h TYR 154 N 0.68 -0.66 0.16 0.00 3.20 -1.46 -0.83 116.97 118.06 3d7m h TYR 154 Ca 0.10 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.00 3d7m h TYR 154 Cb 0.74 0.29 -0.02 0.00 1.54 0.00 0.00 36.73 39.27 3d7m h TYR 154 CO 0.06 -0.25 -0.22 1.88 -1.64 0.00 0.00 178.16 177.99 3d7m h TYR 155 N -0.29 -0.58 0.00 -3.82 0.05 -1.29 -2.12 116.97 108.92 3d7m h TYR 155 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 3d7m h TYR 155 Cb 0.31 0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.29 3d7m h TYR 155 CO -0.41 -0.32 0.00 -0.07 -1.05 0.00 0.00 178.16 176.31 3d7m h LEU 156 N -0.44 0.00 0.00 3.88 3.38 -1.37 -0.96 115.31 119.81 3d7m h LEU 156 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3d7m h LEU 156 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3d7m h LEU 156 CO -0.09 0.00 -0.83 0.78 0.09 0.00 0.00 178.44 178.39 3d7m h ASN 157 N 0.00 0.00 -0.45 -0.43 2.35 -0.48 -3.27 115.58 113.30 3d7m h ASN 157 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3d7m h ASN 157 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3d7m h ASN 157 CO 0.00 0.06 0.00 0.47 -1.65 0.00 0.00 177.43 176.31 3d7m n ASP 158 N -2.79 4.46 -0.37 5.81 9.92 -0.43 -4.80 116.55 128.35 3d7m n ASP 158 Ca 0.00 -2.73 -0.10 0.00 -0.53 0.00 0.00 54.79 51.42 3d7m n ASP 158 Cb 0.58 -0.55 -0.09 0.00 -0.64 0.00 0.00 41.12 40.41 3d7m n ASP 158 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3d7m h LEU 159 N 2.95 -2.00 -0.76 0.64 5.85 -1.45 -1.97 115.31 118.57 3d7m h LEU 159 Ca 0.00 0.30 0.17 0.00 0.84 0.00 0.00 57.88 59.19 3d7m h LEU 159 Cb 1.50 0.88 -0.11 0.00 0.37 0.00 0.00 40.66 43.30 3d7m h LEU 159 CO 0.27 -0.23 0.22 0.44 -0.34 0.00 0.00 178.44 178.80 3d7m h ASP 160 N -0.03 0.08 -0.07 1.25 5.19 -1.90 0.01 116.42 120.95 3d7m h ASP 160 Ca 0.14 0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.69 3d7m h ASP 160 Cb 0.39 0.18 -0.00 0.00 0.18 0.00 0.00 39.33 40.08 3d7m h ASP 160 CO -0.85 -0.02 0.03 -0.09 -3.12 0.00 0.00 179.24 175.19 3d7m h ARG 161 N 0.31 0.11 -0.06 3.56 2.43 -1.77 -3.13 114.38 115.83 3d7m h ARG 161 Ca 0.43 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.56 3d7m h ARG 161 Cb 0.75 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 3d7m h ARG 161 CO -0.50 0.20 -0.09 0.82 -1.51 0.00 0.00 179.97 178.89 3d7m h ILE 162 N -0.01 1.10 -0.30 1.20 2.04 -0.68 -2.83 117.51 118.03 3d7m h ILE 162 Ca 0.03 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.42 3d7m h ILE 162 Cb 0.13 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 3d7m h ILE 162 CO -0.00 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.29 3d7m n ALA 163 N -2.51 3.02 -2.62 1.87 0.00 -0.11 -4.86 120.51 115.31 3d7m n ALA 163 Ca -0.02 -0.88 -0.38 0.00 0.00 0.00 0.00 53.44 52.17 3d7m n ALA 163 Cb 0.20 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.54 3d7m n ALA 163 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3d7m s GLN 164 N -1.79 4.11 0.12 0.00 -1.52 -1.07 -5.01 119.66 114.50 3d7m s GLN 164 Ca 0.26 0.36 -0.23 0.00 -1.95 0.00 0.00 55.36 53.81 3d7m s GLN 164 Cb 0.19 -3.33 -0.05 0.00 -0.22 0.00 0.00 33.01 29.60 3d7m s GLN 164 CO 0.10 0.44 1.37 -2.30 -0.25 0.00 0.00 175.29 174.64 3d7m n PRO 165 N 2.74 -0.32 -0.03 2.91 -0.02 -1.26 -0.30 135.00 138.72 3d7m n PRO 165 Ca -0.11 1.35 0.00 0.00 -2.02 0.00 0.00 63.50 62.71 3d7m n PRO 165 Cb 0.52 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3d7m n PRO 165 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3d7m n ASN 166 N -4.65 2.56 -4.65 2.55 5.15 -1.26 -4.89 115.26 110.07 3d7m n ASN 166 Ca 0.01 -1.65 -0.42 0.00 -0.60 0.00 0.00 54.58 51.92 3d7m n ASN 166 Cb 0.19 -0.44 -0.03 0.00 -0.53 0.00 0.00 39.78 38.97 3d7m n ASN 166 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3d7m s TYR 167 N 0.21 1.55 -0.33 1.20 5.04 0.59 -4.96 117.35 120.66 3d7m s TYR 167 Ca 0.00 -0.12 0.04 0.00 -2.44 0.00 0.00 57.07 54.54 3d7m s TYR 167 Cb 0.00 -4.10 0.10 0.00 0.35 0.00 0.00 41.96 38.31 3d7m s TYR 167 CO 0.00 -4.75 0.05 0.42 -1.34 0.00 0.00 175.55 169.92 3d7m s ILE 168 N 4.60 2.16 0.29 3.14 1.01 -1.26 -4.98 121.20 126.17 3d7m s ILE 168 Ca 0.83 -2.24 -0.27 0.00 0.00 0.00 0.00 60.65 58.98 3d7m s ILE 168 Cb -0.38 -2.59 -0.15 0.00 0.01 0.00 0.00 42.46 39.36 3d7m s ILE 168 CO 0.36 -0.58 0.72 -0.81 0.00 0.00 0.00 174.94 174.63 3d7m n PRO 169 N 4.31 0.69 -2.32 2.79 -0.04 -1.26 -4.98 135.00 134.19 3d7m n PRO 169 Ca 0.03 0.24 -0.25 0.00 -0.04 0.00 0.00 63.50 63.48 3d7m n PRO 169 Cb 0.42 -1.46 0.05 0.00 -0.04 0.00 0.00 33.50 32.47 3d7m n PRO 169 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3d7m s THR 170 N -1.15 2.75 0.17 0.52 -4.23 -1.26 -4.70 115.64 107.74 3d7m s THR 170 Ca 0.61 -0.24 -0.16 0.00 -1.18 0.00 0.00 61.69 60.73 3d7m s THR 170 Cb -0.75 -3.14 0.10 0.00 1.34 0.00 0.00 72.50 70.05 3d7m s THR 170 CO 0.58 -0.14 1.67 1.56 -0.54 0.00 0.00 174.62 177.75 3d7m h GLN 171 N -0.39 0.03 -0.53 3.99 1.08 -1.93 -1.72 115.11 115.65 3d7m h GLN 171 Ca -0.44 -0.00 0.01 0.00 -1.45 0.00 0.00 58.65 56.77 3d7m h GLN 171 Cb 1.30 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.69 3d7m h GLN 171 CO 0.59 0.02 0.34 0.37 -0.95 0.00 0.00 178.83 179.20 3d7m h GLN 172 N 0.03 0.66 -0.87 1.46 5.75 -1.94 -1.40 115.11 118.81 3d7m h GLN 172 Ca 0.21 -0.04 0.14 0.00 -0.15 0.00 0.00 58.65 58.81 3d7m h GLN 172 Cb 0.31 -0.15 -0.09 0.00 1.07 0.00 0.00 27.48 28.62 3d7m h GLN 172 CO -0.41 0.44 0.47 -0.44 -2.65 0.00 0.00 178.83 176.24 3d7m h ASP 173 N 0.68 0.60 0.08 -0.69 3.32 -1.76 0.12 116.42 118.77 3d7m h ASP 173 Ca 0.20 0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.20 3d7m h ASP 173 Cb -0.04 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3d7m h ASP 173 CO -0.06 0.27 -0.43 0.58 -1.72 0.00 0.00 179.24 177.87 3d7m h VAL 174 N 0.69 1.31 -0.35 -1.35 2.07 -0.53 -2.80 116.25 115.29 3d7m h VAL 174 Ca 0.46 -1.61 -0.09 0.00 0.82 0.00 0.00 66.70 66.28 3d7m h VAL 174 Cb 0.62 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3d7m h VAL 174 CO -0.34 0.50 -0.13 -0.07 0.02 0.00 0.00 177.57 177.55 3d7m h LEU 175 N 0.36 0.72 -1.73 2.57 3.38 -0.23 -3.02 115.31 117.36 3d7m h LEU 175 Ca 0.03 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 3d7m h LEU 175 Cb 0.91 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3d7m h LEU 175 CO 0.08 0.95 -0.17 0.03 0.09 0.00 0.00 178.44 179.41 3d7m h ARG 176 N 0.49 0.00 -6.50 1.13 2.47 -0.74 -3.46 114.38 107.76 3d7m h ARG 176 Ca 0.08 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 58.26 3d7m h ARG 176 Cb 0.66 0.00 0.22 0.00 -1.65 0.00 0.00 29.97 29.20 3d7m h ARG 176 CO 0.04 0.17 -1.02 0.25 0.56 0.00 0.00 179.97 179.97 3d7m n THR 177 N -3.82 0.10 -3.86 2.04 -2.24 -1.06 -4.69 114.28 100.74 3d7m n THR 177 Ca -0.02 -0.31 -0.27 0.00 -2.27 0.00 0.00 64.05 61.18 3d7m n THR 177 Cb 0.27 -0.40 -0.17 0.00 -2.10 0.00 0.00 70.33 67.93 3d7m n THR 177 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3d7m s ARG 178 N -2.98 1.27 -0.09 -0.78 6.06 -1.26 -5.04 118.95 116.13 3d7m s ARG 178 Ca 0.51 -0.40 -0.01 0.00 -2.50 0.00 0.00 55.73 53.33 3d7m s ARG 178 Cb -0.21 -1.85 0.03 0.00 0.06 0.00 0.00 34.95 32.98 3d7m s ARG 178 CO 0.72 -0.42 -0.02 0.08 -2.50 0.00 0.00 175.30 173.16 3d7m s VAL 179 N 1.70 0.60 0.09 7.11 1.01 -1.26 -4.97 120.40 124.69 3d7m s VAL 179 Ca 0.02 -0.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.65 3d7m s VAL 179 Cb -0.15 -0.72 -0.09 0.00 0.00 0.00 0.00 36.38 35.42 3d7m s VAL 179 CO -0.07 0.29 1.69 -0.75 0.00 0.00 0.00 175.10 176.25 3d7m s LYS 180 N 1.88 4.18 -0.02 2.72 2.20 -1.26 -4.94 119.74 124.50 3d7m s LYS 180 Ca 0.05 2.40 -0.25 0.00 -0.36 0.00 0.00 55.97 57.80 3d7m s LYS 180 Cb -0.12 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 3d7m s LYS 180 CO -0.06 -0.75 0.78 0.99 -0.36 0.00 0.00 175.35 175.95 3d7m s THR 181 N 2.56 4.92 -0.14 3.43 2.01 -1.26 -5.04 115.64 122.12 3d7m s THR 181 Ca 0.75 1.63 0.01 0.00 0.31 0.00 0.00 61.69 64.39 3d7m s THR 181 Cb -0.41 -4.12 0.02 0.00 0.01 0.00 0.00 72.50 67.99 3d7m s THR 181 CO 0.33 0.26 -0.14 0.42 -0.69 0.00 0.00 174.62 174.80 3d7m s THR 182 N 0.60 1.56 0.00 -0.82 -4.23 -1.26 -4.35 115.64 107.14 3d7m s THR 182 Ca 0.41 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 3d7m s THR 182 Cb -0.19 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.19 3d7m s THR 182 CO 0.22 0.46 0.00 0.61 -0.54 0.00 0.00 174.62 175.36 3d7m n GLY 183 N 4.64 0.60 2.94 3.99 0.00 -1.26 -4.89 105.19 111.20 3d7m n GLY 183 Ca -0.17 -1.43 -0.23 0.00 0.00 0.00 0.00 46.02 44.19 3d7m n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d7m s ILE 184 N 0.00 0.81 -0.19 -0.61 1.01 -1.26 -2.02 121.20 118.94 3d7m s ILE 184 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 3d7m s ILE 184 Cb 0.00 -0.80 -0.01 0.00 0.01 0.00 0.00 42.46 41.66 3d7m s ILE 184 CO 0.00 0.29 -0.06 -0.69 0.00 0.00 0.00 174.94 174.48 3d7m s VAL 185 N 0.96 3.35 -0.00 2.92 1.01 -0.18 -4.98 120.40 123.48 3d7m s VAL 185 Ca -0.10 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.38 3d7m s VAL 185 Cb -0.15 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 3d7m s VAL 185 CO 0.00 0.46 0.00 -0.70 0.00 0.00 0.00 175.10 174.86 3d7m s GLU 186 N 1.07 2.80 -0.05 2.72 2.12 -1.26 -0.84 118.70 125.25 3d7m s GLU 186 Ca 0.01 -0.61 -0.02 0.00 0.36 0.00 0.00 54.97 54.71 3d7m s GLU 186 Cb -0.15 -2.68 0.04 0.00 0.26 0.00 0.00 34.13 31.60 3d7m s GLU 186 CO -0.01 0.63 0.10 0.99 -0.54 0.00 0.00 175.26 176.43 3d7m s THR 187 N -1.09 -0.10 -0.03 -1.70 2.01 -0.71 -5.02 115.64 109.01 3d7m s THR 187 Ca 0.20 0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.48 3d7m s THR 187 Cb -0.12 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 3d7m s THR 187 CO 0.10 0.11 -0.07 -1.00 -0.69 0.00 0.00 174.62 173.07 3d7m s HIS 188 N 1.48 2.90 0.19 4.92 3.76 -1.26 -0.81 115.29 126.47 3d7m s HIS 188 Ca -0.05 -0.02 -0.23 0.00 -0.15 0.00 0.00 55.06 54.61 3d7m s HIS 188 Cb -0.12 -1.65 0.05 0.00 1.11 0.00 0.00 32.58 31.97 3d7m s HIS 188 CO -0.05 0.35 0.77 -0.59 -0.85 0.00 0.00 174.74 174.37 3d7m s PHE 189 N -0.90 -0.28 0.17 1.40 -0.12 -0.05 -5.00 117.98 113.20 3d7m s PHE 189 Ca 0.15 -0.05 0.05 0.00 -0.05 0.00 0.00 56.93 57.03 3d7m s PHE 189 Cb -0.11 0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 42.88 3d7m s PHE 189 CO 0.05 -0.96 0.18 0.99 -0.05 0.00 0.00 175.22 175.42 3d7m s THR 190 N -3.63 4.68 -0.29 -4.49 2.01 -1.26 0.65 115.64 113.31 3d7m s THR 190 Ca 0.08 -1.03 -0.15 0.00 0.31 0.00 0.00 61.69 60.90 3d7m s THR 190 Cb -0.03 -3.41 0.13 0.00 0.01 0.00 0.00 72.50 69.20 3d7m s THR 190 CO -0.01 -0.13 0.89 0.12 -0.69 0.00 0.00 174.62 174.79 3d7m s PHE 191 N -1.79 -0.76 -1.69 4.92 5.36 -0.40 -4.91 117.98 118.71 3d7m s PHE 191 Ca 0.32 1.47 -0.12 0.00 -0.96 0.00 0.00 56.93 57.64 3d7m s PHE 191 Cb -0.10 0.45 0.11 0.00 -0.34 0.00 0.00 43.02 43.15 3d7m s PHE 191 CO 0.25 -0.38 0.36 1.63 -1.46 0.00 0.00 175.22 175.62 3d7m n LYS 192 N 4.14 -1.26 0.00 10.12 5.02 -1.26 0.72 118.16 135.64 3d7m n LYS 192 Ca -0.17 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3d7m n LYS 192 Cb 0.57 -4.27 0.00 0.00 -0.02 0.00 0.00 35.03 31.30 3d7m n LYS 192 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3d7m n ASP 193 N -2.70 0.00 -4.78 4.39 8.00 -1.26 -5.02 116.55 115.18 3d7m n ASP 193 Ca -0.10 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.01 3d7m n ASP 193 Cb 0.58 -0.24 -0.06 0.00 -0.02 0.00 0.00 41.12 41.38 3d7m n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3d7m s LEU 194 N 0.00 4.50 -0.49 0.64 1.43 0.22 -5.01 118.68 119.96 3d7m s LEU 194 Ca 0.00 1.37 -0.26 0.00 -1.03 0.00 0.00 54.13 54.20 3d7m s LEU 194 Cb 0.00 -3.07 0.03 0.00 0.03 0.00 0.00 46.19 43.18 3d7m s LEU 194 CO 0.00 0.16 1.01 -1.00 0.23 0.00 0.00 176.35 176.75 3d7m s HIS 195 N -0.66 2.84 0.03 0.29 3.76 -1.26 -1.28 115.29 119.00 3d7m s HIS 195 Ca 0.33 0.39 -0.19 0.00 -0.15 0.00 0.00 55.06 55.44 3d7m s HIS 195 Cb -0.20 -4.16 -0.06 0.00 1.11 0.00 0.00 32.58 29.27 3d7m s HIS 195 CO 0.21 -1.24 0.54 -0.06 -0.85 0.00 0.00 174.74 173.34 3d7m s PHE 196 N 4.09 3.74 -0.42 1.40 0.40 0.21 -0.08 117.98 127.31 3d7m s PHE 196 Ca 0.39 1.18 0.02 0.00 -0.60 0.00 0.00 56.93 57.92 3d7m s PHE 196 Cb -0.09 -2.50 0.13 0.00 0.51 0.00 0.00 43.02 41.07 3d7m s PHE 196 CO 0.26 0.50 0.23 0.15 0.70 0.00 0.00 175.22 177.06 3d7m s LYS 197 N -0.72 1.18 -0.25 0.44 1.02 0.86 -0.87 119.74 121.41 3d7m s LYS 197 Ca 0.28 -1.89 -0.20 0.00 0.02 0.00 0.00 55.97 54.18 3d7m s LYS 197 Cb -0.18 -2.20 -0.02 0.00 -0.52 0.00 0.00 37.83 34.90 3d7m s LYS 197 CO 0.17 -1.16 0.60 1.41 -0.92 0.00 0.00 175.35 175.45 3d7m s MET 198 N 0.48 4.12 -0.24 1.68 -2.45 0.01 -2.82 119.30 120.07 3d7m s MET 198 Ca 0.17 0.51 -0.08 0.00 -1.25 0.00 0.00 55.69 55.04 3d7m s MET 198 Cb -0.24 -3.64 -0.04 0.00 1.25 0.00 0.00 34.83 32.17 3d7m s MET 198 CO 0.00 -0.37 0.10 -0.06 1.05 0.00 0.00 175.02 175.74 3d7m s PHE 199 N 2.35 3.14 -0.26 4.11 0.40 -0.86 -1.73 117.98 125.13 3d7m s PHE 199 Ca 0.25 -0.20 -0.03 0.00 -0.60 0.00 0.00 56.93 56.35 3d7m s PHE 199 Cb -0.16 -2.24 0.02 0.00 0.51 0.00 0.00 43.02 41.16 3d7m s PHE 199 CO 0.09 -0.22 -0.02 0.34 0.70 0.00 0.00 175.22 176.11 3d7m s ASP 200 N 1.42 4.55 0.29 1.36 2.15 -0.02 -1.27 116.67 125.14 3d7m s ASP 200 Ca 0.06 -0.86 0.08 0.00 0.43 0.00 0.00 52.55 52.25 3d7m s ASP 200 Cb -0.15 -1.72 -0.04 0.00 -0.30 0.00 0.00 42.92 40.72 3d7m s ASP 200 CO 0.05 -0.15 0.18 0.68 -0.17 0.00 0.00 175.17 175.75 3d7m s VAL 201 N 1.36 3.81 0.21 1.11 -7.23 -1.24 -1.01 120.40 117.42 3d7m s VAL 201 Ca 0.00 -1.53 -0.30 0.00 -1.81 0.00 0.00 61.98 58.35 3d7m s VAL 201 Cb -0.17 -3.18 -0.08 0.00 0.56 0.00 0.00 36.38 33.50 3d7m s VAL 201 CO -0.03 -0.28 1.17 -0.83 -0.31 0.00 0.00 175.10 174.82 3d7m s GLY 202 N -3.85 2.80 -0.90 2.32 0.00 -0.85 -4.89 107.32 101.94 3d7m s GLY 202 Ca 0.35 0.94 -0.01 0.00 0.00 0.00 0.00 44.72 46.01 3d7m s GLY 202 CO 0.24 1.76 1.03 0.61 0.00 0.00 0.00 173.10 176.74 3d7m n GLY 203 N 1.87 4.68 3.14 0.20 0.00 -1.26 -4.36 105.19 109.47 3d7m n GLY 203 Ca 0.03 -2.67 -0.08 0.00 0.00 0.00 0.00 46.02 43.29 3d7m n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d7m s GLN 204 N -2.17 0.70 0.49 1.61 -0.21 -1.26 0.95 119.66 119.76 3d7m s GLN 204 Ca 0.32 -1.00 0.27 0.00 0.02 0.00 0.00 55.36 54.97 3d7m s GLN 204 Cb 0.03 0.27 1.34 0.00 1.00 0.00 0.00 33.01 35.65 3d7m s GLN 204 CO -0.01 -0.18 1.84 0.00 -2.12 0.00 0.00 175.29 174.82 3d7m h ARG 205 N 3.12 0.16 0.00 2.91 3.08 -1.98 0.28 114.38 121.95 3d7m h ARG 205 Ca -0.34 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.65 3d7m h ARG 205 Cb 1.17 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 3d7m h ARG 205 CO 0.58 0.10 -0.31 0.66 -1.07 0.00 0.00 179.97 179.94 3d7m h SER 206 N 0.16 0.00 0.12 7.04 4.64 -1.98 -3.34 113.55 120.19 3d7m h SER 206 Ca 0.50 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.57 3d7m h SER 206 Cb 1.67 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.71 3d7m h SER 206 CO -0.10 0.24 -2.12 -0.62 -0.87 0.00 0.00 176.83 173.36 3d7m n GLU 207 N -3.13 0.67 0.00 4.77 -0.58 0.68 -4.49 120.64 118.56 3d7m n GLU 207 Ca 0.03 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 3d7m n GLU 207 Cb 0.63 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 3d7m n GLU 207 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3d7m n ARG 208 N -2.66 0.00 0.03 3.49 1.74 0.59 -0.80 116.66 119.05 3d7m n ARG 208 Ca -0.22 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 56.92 3d7m n ARG 208 Cb 0.96 -1.46 -0.09 0.00 -1.02 0.00 0.00 32.46 30.85 3d7m n ARG 208 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3d7m n LYS 209 N -0.85 0.63 0.00 5.56 5.02 -1.26 -4.02 118.16 123.25 3d7m n LYS 209 Ca 0.00 0.03 0.05 0.00 -2.02 0.00 0.00 58.31 56.38 3d7m n LYS 209 Cb 0.00 -1.70 0.32 0.00 -0.02 0.00 0.00 35.03 33.63 3d7m n LYS 209 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3d7m n LYS 210 N -2.61 0.87 0.10 1.97 5.02 0.02 -3.88 118.16 119.65 3d7m n LYS 210 Ca -0.07 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.00 3d7m n LYS 210 Cb 0.69 -1.19 -0.15 0.00 -0.02 0.00 0.00 35.03 34.36 3d7m n LYS 210 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 3d7m h TRP 211 N 0.00 0.78 -0.40 2.13 4.06 -1.74 -3.37 115.95 117.41 3d7m h TRP 211 Ca 0.00 -0.56 0.12 0.00 2.06 0.00 0.00 58.89 60.51 3d7m h TRP 211 Cb 0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 28.11 3d7m h TRP 211 CO 0.00 1.43 0.47 0.82 -3.56 0.00 0.00 178.44 177.60 3d7m h ILE 212 N -0.09 0.32 0.00 1.49 2.04 -1.86 -1.17 117.51 118.24 3d7m h ILE 212 Ca -0.19 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3d7m h ILE 212 Cb 1.89 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 3d7m h ILE 212 CO 0.21 0.00 -0.07 1.41 0.00 0.00 0.00 178.15 179.71 3d7m n HIS 213 N -3.61 0.87 -2.08 1.37 8.25 -1.26 -3.35 115.22 115.40 3d7m n HIS 213 Ca 0.07 0.25 -0.32 0.00 -0.26 0.00 0.00 57.72 57.47 3d7m n HIS 213 Cb 0.64 -0.90 0.03 0.00 1.12 0.00 0.00 29.99 30.87 3d7m n HIS 213 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3d7m n PHE 215 N -0.59 0.00 0.00 0.00 0.99 -1.21 -4.93 117.46 111.72 3d7m n PHE 215 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.93 3d7m n PHE 215 Cb 0.58 -0.26 0.00 0.00 -1.00 0.00 0.00 39.48 38.80 3d7m n PHE 215 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3d7m n GLU 216 N -3.21 0.00 -2.46 -1.08 1.02 -1.26 -3.79 120.64 109.86 3d7m n GLU 216 Ca -0.14 0.10 -0.42 0.00 -0.02 0.00 0.00 57.16 56.68 3d7m n GLU 216 Cb 0.60 -0.58 -0.02 0.00 -0.02 0.00 0.00 31.44 31.42 3d7m n GLU 216 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3d7m s GLY 217 N 0.00 1.05 -0.29 0.62 0.00 -1.26 -4.91 107.32 102.53 3d7m s GLY 217 Ca 0.00 -0.57 0.03 0.00 0.00 0.00 0.00 44.72 44.18 3d7m s GLY 217 CO 0.00 2.67 0.47 0.14 0.00 0.00 0.00 173.10 176.37 3d7m s VAL 218 N 5.43 -0.75 0.21 1.40 1.01 -1.25 -4.93 120.40 121.53 3d7m s VAL 218 Ca 0.51 -0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 3d7m s VAL 218 Cb -0.10 -0.98 0.20 0.00 0.00 0.00 0.00 36.38 35.50 3d7m s VAL 218 CO 0.28 -0.20 1.67 0.74 0.00 0.00 0.00 175.10 177.58 3d7m h THR 219 N 6.09 0.50 -2.36 3.92 2.02 -1.18 -3.43 112.91 118.47 3d7m h THR 219 Ca -0.06 -0.04 0.08 0.00 0.77 0.00 0.00 66.41 67.16 3d7m h THR 219 Cb 1.14 0.36 -0.15 0.00 -1.74 0.00 0.00 68.15 67.76 3d7m h THR 219 CO 0.23 0.02 0.43 0.00 0.37 0.00 0.00 175.52 176.57 3d7m s ALA 220 N -6.14 -1.79 0.05 6.16 0.00 -0.94 -2.76 121.76 116.34 3d7m s ALA 220 Ca -0.13 0.96 0.05 0.00 0.00 0.00 0.00 51.96 52.84 3d7m s ALA 220 Cb 0.19 0.42 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 3d7m s ALA 220 CO 0.74 -0.67 -0.14 0.96 0.00 0.00 0.00 175.76 176.65 3d7m s ILE 221 N -3.05 1.11 -0.28 0.00 -4.36 -0.02 -1.97 121.20 112.63 3d7m s ILE 221 Ca 0.03 -1.11 -0.07 0.00 -0.26 0.00 0.00 60.65 59.25 3d7m s ILE 221 Cb -0.01 -1.03 -0.00 0.00 1.25 0.00 0.00 42.46 42.67 3d7m s ILE 221 CO -0.08 -0.08 0.07 -0.63 0.24 0.00 0.00 174.94 174.45 3d7m s ILE 222 N -1.00 3.98 -0.39 8.37 1.01 -0.04 -0.31 121.20 132.81 3d7m s ILE 222 Ca 0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 60.65 59.96 3d7m s ILE 222 Cb -0.09 -2.99 0.02 0.00 0.01 0.00 0.00 42.46 39.42 3d7m s ILE 222 CO 0.02 0.17 0.26 0.12 0.00 0.00 0.00 174.94 175.50 3d7m s PHE 223 N 1.52 3.24 -0.11 3.97 2.19 0.19 -1.53 117.98 127.45 3d7m s PHE 223 Ca 0.04 -0.71 -0.16 0.00 0.33 0.00 0.00 56.93 56.42 3d7m s PHE 223 Cb -0.16 -2.52 -0.05 0.00 -1.31 0.00 0.00 43.02 38.98 3d7m s PHE 223 CO 0.02 -0.60 0.41 0.00 1.83 0.00 0.00 175.22 176.88 3d7m s VAL 225 N 0.23 1.86 -0.56 0.00 1.01 -0.29 -4.01 120.40 118.64 3d7m s VAL 225 Ca 0.23 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 61.05 3d7m s VAL 225 Cb -0.15 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.67 3d7m s VAL 225 CO 0.09 0.52 0.95 0.00 0.00 0.00 0.00 175.10 176.65 3d7m s ALA 226 N 0.25 3.15 0.29 5.51 0.00 -1.26 -0.33 121.76 129.38 3d7m s ALA 226 Ca -0.14 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 50.57 3d7m s ALA 226 Cb -0.16 -3.75 0.68 0.00 0.00 0.00 0.00 23.12 19.89 3d7m s ALA 226 CO 0.06 -2.43 1.78 -0.07 0.00 0.00 0.00 175.76 175.10 3d7m h LEU 227 N 11.02 0.73 -0.54 0.00 3.38 -1.06 -1.45 115.31 127.38 3d7m h LEU 227 Ca -0.26 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3d7m h LEU 227 Cb 1.07 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3d7m h LEU 227 CO 1.10 0.27 0.00 -1.54 0.09 0.00 0.00 178.44 178.36 3d7m n SER 228 N -4.79 0.27 -0.93 -0.43 3.41 -1.26 -3.26 113.62 106.63 3d7m n SER 228 Ca 0.22 -0.99 0.12 0.00 -0.26 0.00 0.00 58.87 57.96 3d7m n SER 228 Cb 0.53 -0.13 0.14 0.00 -0.26 0.00 0.00 64.21 64.48 3d7m n SER 228 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3d7m n ASP 229 N -0.09 2.90 -0.03 4.04 9.92 -0.55 -4.42 116.55 128.32 3d7m n ASP 229 Ca 0.00 -1.96 0.10 0.00 -0.53 0.00 0.00 54.79 52.40 3d7m n ASP 229 Cb 0.07 -0.01 0.50 0.00 -0.64 0.00 0.00 41.12 41.04 3d7m n ASP 229 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 3d7m h TYR 230 N 4.53 0.40 -0.29 1.24 -0.00 -1.78 -2.73 116.97 118.32 3d7m h TYR 230 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.74 3d7m h TYR 230 Cb 0.96 -0.13 0.00 0.00 0.00 0.00 0.00 36.73 37.56 3d7m h TYR 230 CO 0.01 0.21 0.00 -0.40 -0.00 0.00 0.00 178.16 177.97 3d7m n ASP 231 N -4.47 3.29 -4.74 0.10 5.75 -1.26 -3.77 116.55 111.44 3d7m n ASP 231 Ca 0.07 -2.44 -0.24 0.00 -0.01 0.00 0.00 54.79 52.18 3d7m n ASP 231 Cb 0.29 -0.36 -0.07 0.00 -1.03 0.00 0.00 41.12 39.96 3d7m n ASP 231 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3d7m s LEU 232 N -1.78 3.16 0.27 -2.12 1.43 -1.04 -4.98 118.68 113.62 3d7m s LEU 232 Ca 0.30 -0.98 0.10 0.00 -1.03 0.00 0.00 54.13 52.53 3d7m s LEU 232 Cb 0.21 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.83 3d7m s LEU 232 CO 0.12 -0.48 -0.07 0.68 0.23 0.00 0.00 176.35 176.83 3d7m s VAL 233 N -2.55 3.10 0.95 -1.59 -7.23 -1.26 -0.74 120.40 111.09 3d7m s VAL 233 Ca 0.41 -2.08 -0.11 0.00 -1.81 0.00 0.00 61.98 58.38 3d7m s VAL 233 Cb 0.02 -2.66 0.11 0.00 0.56 0.00 0.00 36.38 34.41 3d7m s VAL 233 CO 0.23 -0.38 0.83 0.18 -0.31 0.00 0.00 175.10 175.65 3d7m n LEU 234 N -0.81 1.56 0.04 1.32 4.77 0.50 -4.63 117.00 119.76 3d7m n LEU 234 Ca -0.06 0.34 0.11 0.00 -0.03 0.00 0.00 56.01 56.37 3d7m n LEU 234 Cb 0.59 -1.35 -0.05 0.00 -2.33 0.00 0.00 43.42 40.29 3d7m n LEU 234 CO 0.40 -2.80 -0.23 0.00 -1.33 0.00 0.00 177.39 173.43 3d7m n ALA 235 N -4.07 2.96 0.07 -1.18 0.00 -1.26 -3.96 120.51 113.06 3d7m n ALA 235 Ca 0.09 -0.39 0.11 0.00 0.00 0.00 0.00 53.44 53.25 3d7m n ALA 235 Cb 0.53 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 18.98 3d7m n ALA 235 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3d7m n GLU 236 N -2.28 0.62 -3.69 0.00 4.71 -1.26 -4.86 120.64 113.88 3d7m n GLU 236 Ca -0.00 0.02 -0.13 0.00 -0.01 0.00 0.00 57.16 57.04 3d7m n GLU 236 Cb 0.51 -1.73 -0.13 0.00 -1.01 0.00 0.00 31.44 29.09 3d7m n GLU 236 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3d7m s ASP 237 N -5.10 -0.00 0.21 1.62 -1.08 -1.25 -5.04 116.67 106.02 3d7m s ASP 237 Ca -0.03 0.60 0.25 0.00 -0.52 0.00 0.00 52.55 52.85 3d7m s ASP 237 Cb 0.11 0.60 0.64 0.00 -1.46 0.00 0.00 42.92 42.81 3d7m s ASP 237 CO 0.83 -0.20 1.64 1.05 0.52 0.00 0.00 175.17 179.00 3d7m h GLU 238 N 7.72 0.00 -1.93 4.34 4.11 -1.90 -2.78 114.58 124.14 3d7m h GLU 238 Ca -0.28 0.00 -0.69 0.00 0.07 0.00 0.00 59.36 58.46 3d7m h GLU 238 Cb 1.14 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.04 3d7m h GLU 238 CO 0.25 0.00 0.21 0.39 0.07 0.00 0.00 179.01 179.94 3d7m n GLU 239 N -2.30 3.49 -3.42 1.06 -0.58 -1.26 -4.71 120.64 112.91 3d7m n GLU 239 Ca 0.05 -4.24 -0.11 0.00 -0.42 0.00 0.00 57.16 52.44 3d7m n GLU 239 Cb 0.44 -2.29 -0.10 0.00 -0.57 0.00 0.00 31.44 28.93 3d7m n GLU 239 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 3d7m s MET 240 N -3.85 0.30 0.11 3.49 -1.94 -1.25 -5.04 119.30 111.11 3d7m s MET 240 Ca 0.48 0.50 -0.31 0.00 -1.71 0.00 0.00 55.69 54.65 3d7m s MET 240 Cb 0.36 -0.57 -0.10 0.00 2.01 0.00 0.00 34.83 36.52 3d7m s MET 240 CO -0.25 -0.60 1.87 1.21 -0.01 0.00 0.00 175.02 177.23 3d7m s ASN 241 N 2.49 6.41 0.45 3.03 2.47 -1.26 -0.37 114.94 128.16 3d7m s ASN 241 Ca 0.10 2.77 0.24 0.00 0.42 0.00 0.00 52.86 56.39 3d7m s ASN 241 Cb -0.15 -2.56 1.25 0.00 -1.45 0.00 0.00 41.25 38.34 3d7m s ASN 241 CO -0.14 -1.02 1.79 0.03 -3.72 0.00 0.00 177.10 174.03 3d7m h ARG 242 N 8.98 0.25 0.00 0.43 3.08 -1.03 -0.78 114.38 125.31 3d7m h ARG 242 Ca -0.47 -0.02 -0.21 0.00 0.07 0.00 0.00 59.98 59.36 3d7m h ARG 242 Cb 1.22 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 3d7m h ARG 242 CO 0.95 0.17 -1.02 0.52 -1.07 0.00 0.00 179.97 179.51 3d7m h MET 243 N 0.26 0.00 -0.23 0.04 2.86 -1.77 -2.97 114.93 113.12 3d7m h MET 243 Ca 0.57 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 58.08 3d7m h MET 243 Cb 1.72 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.37 3d7m h MET 243 CO -0.20 0.90 -0.42 0.45 1.06 0.00 0.00 176.91 178.69 3d7m h HIS 244 N 0.00 0.67 -0.51 -0.22 3.86 -1.50 -1.33 115.15 116.12 3d7m h HIS 244 Ca -0.04 -0.20 0.03 0.00 -1.16 0.00 0.00 60.37 59.00 3d7m h HIS 244 Cb 1.75 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 30.05 3d7m h HIS 244 CO 0.00 0.89 0.30 1.49 0.86 0.00 0.00 177.93 181.47 3d7m h GLU 245 N 0.46 0.58 -0.79 2.45 4.57 -1.43 0.56 114.58 120.98 3d7m h GLU 245 Ca 0.04 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3d7m h GLU 245 Cb 0.93 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.35 3d7m h GLU 245 CO 0.08 0.38 0.45 0.77 -1.18 0.00 0.00 179.01 179.51 3d7m h SER 246 N 0.60 0.97 -0.03 1.04 0.02 -1.29 -0.39 113.55 114.46 3d7m h SER 246 Ca 0.21 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 61.01 3d7m h SER 246 Cb 0.04 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 3d7m h SER 246 CO -0.10 0.77 -0.17 0.24 -1.14 0.00 0.00 176.83 176.43 3d7m h MET 247 N 1.08 0.37 -0.30 3.45 2.86 -0.55 0.29 114.93 122.13 3d7m h MET 247 Ca 0.28 -0.11 -0.09 0.00 -2.06 0.00 0.00 59.70 57.72 3d7m h MET 247 Cb 0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3d7m h MET 247 CO -0.05 0.54 -0.18 0.87 1.06 0.00 0.00 176.91 179.15 3d7m h LYS 248 N 0.34 0.65 0.01 1.72 1.57 -0.32 -0.54 116.57 119.99 3d7m h LYS 248 Ca 0.06 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3d7m h LYS 248 Cb 0.51 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3d7m h LYS 248 CO 0.03 0.89 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.72 3d7m h LEU 249 N 0.40 -0.01 0.03 2.94 3.38 -0.66 -1.60 115.31 119.79 3d7m h LEU 249 Ca 0.06 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.78 3d7m h LEU 249 Cb 0.71 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3d7m h LEU 249 CO 0.05 0.27 -0.13 0.15 0.09 0.00 0.00 178.44 178.87 3d7m h PHE 250 N -0.29 -0.34 -0.97 1.13 3.57 -0.47 1.00 116.94 120.57 3d7m h PHE 250 Ca -0.00 0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.70 3d7m h PHE 250 Cb 0.29 0.15 -0.09 0.00 2.79 0.00 0.00 35.95 39.08 3d7m h PHE 250 CO 0.02 -0.20 0.61 0.22 -2.23 0.00 0.00 178.31 176.74 3d7m h ASP 251 N -0.23 0.66 -0.31 0.41 3.58 -1.06 0.90 116.42 120.36 3d7m h ASP 251 Ca 0.04 0.07 -0.11 0.00 0.42 0.00 0.00 57.03 57.45 3d7m h ASP 251 Cb 0.28 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 3d7m h ASP 251 CO -0.11 0.25 -0.22 -1.28 -2.88 0.00 0.00 179.24 174.99 3d7m h SER 252 N 0.65 0.74 0.03 2.28 0.87 -0.15 -2.95 113.55 115.02 3d7m h SER 252 Ca 0.54 -0.44 -0.07 0.00 -1.23 0.00 0.00 61.79 60.59 3d7m h SER 252 Cb 0.99 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.75 3d7m h SER 252 CO -0.30 1.02 -0.30 0.40 -0.53 0.00 0.00 176.83 177.12 3d7m h ILE 253 N 0.46 1.61 -1.00 2.23 1.08 0.48 -2.75 117.51 119.63 3d7m h ILE 253 Ca 0.06 -2.18 0.25 0.00 -0.39 0.00 0.00 64.86 62.60 3d7m h ILE 253 Cb 0.78 3.03 -0.08 0.00 -3.07 0.00 0.00 36.82 37.48 3d7m h ILE 253 CO 0.06 0.59 0.66 0.00 -0.69 0.00 0.00 178.15 178.77 3d7m n ASN 255 N -4.55 2.31 -4.70 0.00 3.02 -1.11 -4.83 115.26 105.40 3d7m n ASN 255 Ca 0.23 -1.65 -0.43 0.00 -0.03 0.00 0.00 54.58 52.70 3d7m n ASN 255 Cb 0.84 0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 40.03 3d7m n ASN 255 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3d7m n ASN 256 N 0.82 3.97 0.16 6.41 2.85 -0.88 -4.86 115.26 123.73 3d7m n ASN 256 Ca 0.09 1.02 0.18 0.00 -0.11 0.00 0.00 54.58 55.76 3d7m n ASN 256 Cb 0.41 -1.54 0.79 0.00 1.24 0.00 0.00 39.78 40.67 3d7m n ASN 256 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 3d7m h LYS 257 N 7.85 0.00 0.00 1.20 1.57 -1.91 -2.86 116.57 122.42 3d7m h LYS 257 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3d7m h LYS 257 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3d7m h LYS 257 CO 0.95 0.00 0.00 0.91 -0.57 0.00 0.00 179.45 180.74 3d7m n TRP 258 N -3.77 0.00 -2.09 -1.35 7.02 -1.26 -2.56 117.44 113.44 3d7m n TRP 258 Ca 0.04 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.56 3d7m n TRP 258 Cb 0.45 0.00 0.11 0.00 -2.42 0.00 0.00 31.31 29.45 3d7m n TRP 258 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3d7m n PHE 259 N -0.93 0.17 0.27 -5.99 3.72 -1.08 -4.76 117.46 108.86 3d7m n PHE 259 Ca 0.04 -1.09 0.10 0.00 -0.05 0.00 0.00 57.45 56.44 3d7m n PHE 259 Cb 0.02 -0.21 0.72 0.00 -0.94 0.00 0.00 39.48 39.07 3d7m n PHE 259 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3d7m h THR 260 N 4.03 0.86 -0.05 4.37 2.02 -1.71 -2.56 112.91 119.87 3d7m h THR 260 Ca -0.10 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3d7m h THR 260 Cb 1.45 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 3d7m h THR 260 CO 0.09 0.01 0.00 0.47 0.37 0.00 0.00 175.52 176.45 3d7m n ASP 261 N -4.32 1.73 -4.63 4.18 8.00 -1.26 -4.95 116.55 115.30 3d7m n ASP 261 Ca -0.03 -1.53 -0.40 0.00 0.71 0.00 0.00 54.79 53.54 3d7m n ASP 261 Cb 0.09 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 3d7m n ASP 261 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3d7m s THR 262 N -0.60 4.99 0.29 -3.53 2.01 -0.96 -4.96 115.64 112.87 3d7m s THR 262 Ca 0.05 1.12 -0.30 0.00 0.31 0.00 0.00 61.69 62.87 3d7m s THR 262 Cb 0.03 -3.93 -0.11 0.00 0.01 0.00 0.00 72.50 68.50 3d7m s THR 262 CO 0.04 0.04 1.54 -0.44 -0.69 0.00 0.00 174.62 175.11 3d7m s SER 263 N 1.44 6.46 -0.31 3.53 0.01 -1.11 -4.83 113.70 118.88 3d7m s SER 263 Ca 0.26 2.87 -0.07 0.00 1.31 0.00 0.00 55.95 60.32 3d7m s SER 263 Cb -0.16 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.46 3d7m s SER 263 CO 0.09 -0.84 0.09 -0.63 0.41 0.00 0.00 173.24 172.35 3d7m s ILE 264 N -0.08 3.88 -0.16 1.44 -1.09 -1.26 -0.84 121.20 123.08 3d7m s ILE 264 Ca 0.61 -0.89 -0.05 0.00 -2.23 0.00 0.00 60.65 58.09 3d7m s ILE 264 Cb -0.46 -3.09 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 3d7m s ILE 264 CO 0.47 -0.04 0.01 -0.63 -1.23 0.00 0.00 174.94 173.53 3d7m s ILE 265 N 1.46 4.32 -0.26 2.92 1.01 0.57 -1.95 121.20 129.27 3d7m s ILE 265 Ca 0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.40 3d7m s ILE 265 Cb -0.18 -2.92 0.00 0.00 0.01 0.00 0.00 42.46 39.37 3d7m s ILE 265 CO 0.03 0.49 0.03 -0.22 0.00 0.00 0.00 174.94 175.26 3d7m s LEU 266 N 0.28 3.45 -0.34 2.97 2.96 -0.29 0.54 118.68 128.26 3d7m s LEU 266 Ca 0.00 -0.58 -0.10 0.00 -0.22 0.00 0.00 54.13 53.22 3d7m s LEU 266 Cb -0.13 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.75 3d7m s LEU 266 CO 0.02 -0.12 0.18 -0.36 -1.32 0.00 0.00 176.35 174.75 3d7m s PHE 267 N 1.48 3.21 -1.10 5.38 0.40 -0.54 -0.65 117.98 126.16 3d7m s PHE 267 Ca 0.04 -0.71 -0.14 0.00 -0.60 0.00 0.00 56.93 55.51 3d7m s PHE 267 Cb -0.16 -2.40 0.18 0.00 0.51 0.00 0.00 43.02 41.15 3d7m s PHE 267 CO 0.00 -0.53 1.27 -0.51 0.70 0.00 0.00 175.22 176.15 3d7m s LEU 268 N 1.60 5.38 1.11 -0.37 1.43 0.03 -1.14 118.68 126.72 3d7m s LEU 268 Ca 0.04 -2.85 -0.16 0.00 -1.03 0.00 0.00 54.13 50.12 3d7m s LEU 268 Cb -0.18 -2.36 0.24 0.00 0.03 0.00 0.00 46.19 43.93 3d7m s LEU 268 CO 0.07 -0.73 1.10 0.21 0.23 0.00 0.00 176.35 177.22 3d7m s ASN 269 N 2.73 1.68 -1.47 2.29 2.47 0.55 -2.32 114.94 120.87 3d7m s ASN 269 Ca 0.37 0.92 -0.04 0.00 0.42 0.00 0.00 52.86 54.52 3d7m s ASN 269 Cb -0.05 -1.39 0.02 0.00 -1.45 0.00 0.00 41.25 38.38 3d7m s ASN 269 CO -0.04 -3.68 0.37 0.29 -3.72 0.00 0.00 177.10 170.31 3d7m n LYS 270 N -4.51 -3.53 0.22 0.43 5.02 -1.12 -0.56 118.16 114.11 3d7m n LYS 270 Ca 0.09 0.79 0.05 0.00 -2.02 0.00 0.00 58.31 57.22 3d7m n LYS 270 Cb 0.58 -5.54 0.50 0.00 -0.02 0.00 0.00 35.03 30.55 3d7m n LYS 270 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 3d7m h LYS 271 N -0.81 0.00 -0.42 1.97 2.10 -1.59 -0.91 116.57 116.91 3d7m h LYS 271 Ca -0.47 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.07 3d7m h LYS 271 Cb 1.33 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.64 3d7m h LYS 271 CO 0.53 0.21 -0.20 0.38 -2.00 0.00 0.00 179.45 178.37 3d7m h ASP 272 N 0.00 0.85 1.08 7.07 2.03 -1.90 0.13 116.42 125.68 3d7m h ASP 272 Ca -0.00 -0.30 -0.13 0.00 -0.73 0.00 0.00 57.03 55.86 3d7m h ASP 272 Cb 0.39 -0.23 -0.02 0.00 -0.83 0.00 0.00 39.33 38.64 3d7m h ASP 272 CO 0.03 1.03 -0.63 -0.07 -1.03 0.00 0.00 179.24 178.56 3d7m h LEU 273 N 0.73 0.00 -0.37 0.15 3.38 -1.79 -3.13 115.31 114.28 3d7m h LEU 273 Ca 0.10 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3d7m h LEU 273 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3d7m h LEU 273 CO 0.06 0.63 -0.17 0.15 0.09 0.00 0.00 178.44 179.19 3d7m h PHE 274 N 0.00 0.89 0.00 1.13 3.57 -0.72 -2.63 116.94 119.18 3d7m h PHE 274 Ca -0.01 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.27 3d7m h PHE 274 Cb 1.34 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.87 3d7m h PHE 274 CO 0.00 0.95 -0.03 1.49 -2.23 0.00 0.00 178.31 178.49 3d7m h GLU 275 N 0.57 0.00 0.00 1.11 4.81 -0.72 -2.18 114.58 118.16 3d7m h GLU 275 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3d7m h GLU 275 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3d7m h GLU 275 CO 0.05 0.03 -0.84 0.39 -0.73 0.00 0.00 179.01 177.92 3d7m n GLU 276 N -3.58 0.03 -0.05 1.92 1.02 -1.05 -4.51 120.64 114.41 3d7m n GLU 276 Ca -0.02 -0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.10 3d7m n GLU 276 Cb 0.13 -1.51 -0.13 0.00 -0.02 0.00 0.00 31.44 29.92 3d7m n GLU 276 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3d7m n LYS 277 N -1.54 1.07 0.22 3.49 4.81 -0.85 -4.18 118.16 121.19 3d7m n LYS 277 Ca 0.04 -0.07 0.09 0.00 -0.87 0.00 0.00 58.31 57.51 3d7m n LYS 277 Cb 0.34 -1.40 0.51 0.00 0.02 0.00 0.00 35.03 34.50 3d7m n LYS 277 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 3d7m h ILE 278 N 0.00 0.67 0.00 3.15 2.04 -1.68 -2.24 117.51 119.45 3d7m h ILE 278 Ca -0.26 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 64.56 3d7m h ILE 278 Cb 1.50 1.67 -0.00 0.00 -0.74 0.00 0.00 36.82 39.25 3d7m h ILE 278 CO 0.01 0.23 -0.02 0.11 0.00 0.00 0.00 178.15 178.48 3d7m h LYS 279 N 0.00 0.00 -0.34 2.37 1.57 -1.80 -3.05 116.57 115.32 3d7m h LYS 279 Ca -0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 3d7m h LYS 279 Cb 0.65 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.56 3d7m h LYS 279 CO 0.03 0.02 -1.08 0.36 -0.57 0.00 0.00 179.45 178.21 3d7m n LYS 280 N -3.32 1.40 -3.64 3.15 2.85 -0.89 -5.05 118.16 112.66 3d7m n LYS 280 Ca -0.02 -3.19 -0.06 0.00 -1.05 0.00 0.00 58.31 53.99 3d7m n LYS 280 Cb 0.14 -1.27 -0.07 0.00 -0.65 0.00 0.00 35.03 33.18 3d7m n LYS 280 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 3d7m s SER 281 N -3.38 -0.40 -0.06 -5.58 0.15 -0.91 -5.06 113.70 98.45 3d7m s SER 281 Ca 0.30 0.73 -0.17 0.00 0.70 0.00 0.00 55.95 57.51 3d7m s SER 281 Cb 0.34 0.87 -0.05 0.00 -1.71 0.00 0.00 66.02 65.48 3d7m s SER 281 CO -0.07 -0.12 0.46 -2.16 1.20 0.00 0.00 173.24 172.55 3d7m s PRO 282 N 0.54 4.20 0.00 5.44 0.05 -1.26 -4.37 135.00 139.60 3d7m s PRO 282 Ca -0.00 0.46 0.02 0.00 0.05 0.00 0.00 61.00 61.53 3d7m s PRO 282 Cb -0.05 -3.35 0.09 0.00 0.05 0.00 0.00 34.50 31.24 3d7m s PRO 282 CO -0.10 0.37 1.04 -0.11 0.05 0.00 0.00 177.00 178.25 3d7m n LEU 283 N 2.89 0.00 0.28 -3.56 7.94 -1.26 -1.21 117.00 122.08 3d7m n LEU 283 Ca -0.10 0.48 0.16 0.00 -1.11 0.00 0.00 56.01 55.44 3d7m n LEU 283 Cb 0.52 -0.48 0.75 0.00 0.53 0.00 0.00 43.42 44.74 3d7m n LEU 283 CO 0.41 -0.44 0.99 0.71 -1.11 0.00 0.00 177.39 177.95 3d7m h THR 284 N 0.00 0.22 0.00 1.96 1.35 -1.88 0.20 112.91 114.77 3d7m h THR 284 Ca 0.00 -0.54 -0.03 0.00 -0.55 0.00 0.00 66.41 65.29 3d7m h THR 284 Cb 0.03 1.43 -0.00 0.00 -1.73 0.00 0.00 68.15 67.88 3d7m h THR 284 CO 0.00 0.06 -0.17 0.40 -0.25 0.00 0.00 175.52 175.57 3d7m h ILE 285 N 0.00 1.03 0.00 6.82 2.04 -1.49 -2.93 117.51 122.98 3d7m h ILE 285 Ca -0.00 -0.58 -0.37 0.00 1.00 0.00 0.00 64.86 64.91 3d7m h ILE 285 Cb 0.43 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 37.77 3d7m h ILE 285 CO 0.01 0.16 -2.18 0.00 0.00 0.00 0.00 178.15 176.14 3d7m s TYR 287 N -2.55 3.45 0.36 0.00 2.02 0.64 -4.97 117.35 116.29 3d7m s TYR 287 Ca -0.36 -2.14 0.16 0.00 -0.37 0.00 0.00 57.07 54.36 3d7m s TYR 287 Cb 0.12 -2.77 0.86 0.00 -0.40 0.00 0.00 41.96 39.78 3d7m s TYR 287 CO 0.49 -0.89 1.87 -1.35 -1.57 0.00 0.00 175.55 174.09 3d7m h PRO 288 N 8.05 0.00 0.00 -1.71 0.11 -1.78 -2.85 132.00 133.82 3d7m h PRO 288 Ca -0.17 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.89 3d7m h PRO 288 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3d7m h PRO 288 CO 0.63 0.31 -0.26 1.05 -0.21 0.00 0.00 178.00 179.53 3d7m h GLU 289 N 0.00 0.00 -5.89 1.05 9.09 -1.93 -3.45 114.58 113.44 3d7m h GLU 289 Ca -0.00 0.00 -0.67 0.00 0.05 0.00 0.00 59.36 58.74 3d7m h GLU 289 Cb 0.61 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.68 3d7m h GLU 289 CO 0.04 0.26 1.44 0.98 0.05 0.00 0.00 179.01 181.78 3d7m n TYR 290 N -3.33 1.41 0.89 2.06 9.36 -1.08 -4.80 117.16 121.68 3d7m n TYR 290 Ca 0.01 0.38 0.09 0.00 3.32 0.00 0.00 57.90 61.70 3d7m n TYR 290 Cb 0.50 -2.47 -0.10 0.00 -0.63 0.00 0.00 39.34 36.63 3d7m n TYR 290 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3d7m n ALA 291 N 9.75 4.39 -1.11 2.98 0.00 -1.26 -4.82 120.51 130.44 3d7m n ALA 291 Ca 0.46 -0.54 -0.07 0.00 0.00 0.00 0.00 53.44 53.29 3d7m n ALA 291 Cb 0.17 -0.68 0.09 0.00 0.00 0.00 0.00 19.45 19.03 3d7m n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d7m n GLY 292 N 1.43 -2.21 3.91 0.00 0.00 -1.26 -5.06 105.19 102.00 3d7m n GLY 292 Ca 0.04 -1.53 -0.28 0.00 0.00 0.00 0.00 46.02 44.26 3d7m n GLY 292 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d7m s SER 293 N -2.65 5.44 -1.20 1.61 1.04 -1.26 -4.97 113.70 111.71 3d7m s SER 293 Ca 0.27 0.83 -0.06 0.00 0.48 0.00 0.00 55.95 57.46 3d7m s SER 293 Cb -0.02 -1.71 0.04 0.00 0.10 0.00 0.00 66.02 64.43 3d7m s SER 293 CO 0.20 -1.23 2.64 0.59 0.98 0.00 0.00 173.24 176.43 3d7m n ASN 294 N -2.77 7.84 -4.55 7.02 3.02 -1.26 -4.39 115.26 120.17 3d7m n ASN 294 Ca 0.06 -2.98 -0.34 0.00 -0.03 0.00 0.00 54.58 51.28 3d7m n ASN 294 Cb 0.58 -1.39 -0.11 0.00 -0.61 0.00 0.00 39.78 38.24 3d7m n ASN 294 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3d7m s THR 295 N -0.43 3.97 0.55 3.41 -4.23 -1.26 -4.66 115.64 113.00 3d7m s THR 295 Ca 0.59 -0.35 0.30 0.00 -1.18 0.00 0.00 61.69 61.06 3d7m s THR 295 Cb 0.22 -2.71 0.45 0.00 1.34 0.00 0.00 72.50 71.80 3d7m s THR 295 CO -0.10 0.53 1.88 0.22 -0.54 0.00 0.00 174.62 176.62 3d7m h TYR 296 N 6.13 0.00 0.19 3.99 3.20 -1.91 -0.86 116.97 127.72 3d7m h TYR 296 Ca -0.38 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.16 3d7m h TYR 296 Cb 1.19 0.00 0.02 0.00 1.54 0.00 0.00 36.73 39.48 3d7m h TYR 296 CO 0.56 0.00 -1.50 0.93 -1.64 0.00 0.00 178.16 176.51 3d7m h GLU 297 N 0.00 0.41 0.00 1.82 3.07 -1.96 -2.92 114.58 115.01 3d7m h GLU 297 Ca 0.36 -0.70 -0.07 0.00 -0.50 0.00 0.00 59.36 58.44 3d7m h GLU 297 Cb 1.56 0.26 0.01 0.00 -0.84 0.00 0.00 28.75 29.74 3d7m h GLU 297 CO -0.00 1.32 -0.29 1.49 -1.40 0.00 0.00 179.01 180.13 3d7m h GLU 298 N 0.11 0.19 -0.54 2.33 4.81 -1.67 -2.66 114.58 117.15 3d7m h GLU 298 Ca -0.25 -0.21 0.03 0.00 -0.13 0.00 0.00 59.36 58.80 3d7m h GLU 298 Cb 2.09 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 31.50 3d7m h GLU 298 CO 0.22 0.95 0.31 0.00 -0.73 0.00 0.00 179.01 179.77 3d7m h ALA 299 N 0.24 0.70 -0.07 2.92 0.00 -1.36 -1.32 119.26 120.39 3d7m h ALA 299 Ca -0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3d7m h ALA 299 Cb 1.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3d7m h ALA 299 CO 0.06 0.01 -0.09 0.00 0.00 0.00 0.00 179.25 179.22 3d7m h ALA 300 N 1.26 1.72 -0.37 0.00 0.00 -1.57 -0.75 119.26 119.54 3d7m h ALA 300 Ca 0.23 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3d7m h ALA 300 Cb 0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3d7m h ALA 300 CO -0.12 0.21 0.06 0.00 0.00 0.00 0.00 179.25 179.41 3d7m n ALA 301 N -2.51 3.47 0.00 0.00 0.00 -0.53 -2.56 120.51 118.39 3d7m n ALA 301 Ca -0.02 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.23 3d7m n ALA 301 Cb 0.20 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3d7m n ALA 301 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3d7m n TYR 302 N 0.22 0.00 -0.37 0.00 9.36 -0.40 -4.28 117.16 121.69 3d7m n TYR 302 Ca 0.19 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.42 3d7m n TYR 302 Cb 0.86 0.05 0.15 0.00 -0.63 0.00 0.00 39.34 39.77 3d7m n TYR 302 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 3d7m h ILE 303 N 0.00 1.16 0.80 2.97 2.04 -1.33 0.45 117.51 123.60 3d7m h ILE 303 Ca 0.00 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 3d7m h ILE 303 Cb 0.88 -0.20 0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3d7m h ILE 303 CO 0.00 0.23 -0.38 -0.61 0.00 0.00 0.00 178.15 177.39 3d7m h GLN 304 N 1.25 -1.03 -0.98 2.37 4.15 -1.75 -1.60 115.11 117.52 3d7m h GLN 304 Ca 0.41 0.07 0.14 0.00 0.77 0.00 0.00 58.65 60.03 3d7m h GLN 304 Cb 0.03 0.23 -0.09 0.00 0.21 0.00 0.00 27.48 27.87 3d7m h GLN 304 CO -0.13 -0.69 0.62 0.00 -1.93 0.00 0.00 178.83 176.70 3d7m h GLN 306 N 0.89 0.05 -0.26 0.00 1.08 0.08 -2.17 115.11 114.78 3d7m h GLN 306 Ca 0.50 -0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.66 3d7m h GLN 306 Cb 0.62 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.03 3d7m h GLN 306 CO -0.27 0.04 0.02 0.74 -0.95 0.00 0.00 178.83 178.40 3d7m h PHE 307 N 0.05 0.47 0.00 2.96 -1.00 0.03 -3.20 116.94 116.25 3d7m h PHE 307 Ca 0.12 -0.07 -0.02 0.00 2.81 0.00 0.00 57.97 60.81 3d7m h PHE 307 Cb 0.17 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 39.60 3d7m h PHE 307 CO -0.22 0.57 -0.10 0.93 -1.61 0.00 0.00 178.31 177.88 3d7m h GLU 308 N 0.23 0.00 0.00 1.51 5.08 -1.15 -2.92 114.58 117.33 3d7m h GLU 308 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3d7m h GLU 308 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3d7m h GLU 308 CO 0.01 0.10 0.00 -0.44 -1.00 0.00 0.00 179.01 177.68 3d7m h ASP 309 N 0.00 0.00 1.29 1.42 3.32 -1.38 -2.55 116.42 118.52 3d7m h ASP 309 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3d7m h ASP 309 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3d7m h ASP 309 CO 0.01 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 177.46 3d7m h LEU 310 N 0.00 0.00 -8.91 1.55 3.38 -1.63 -3.44 115.31 106.26 3d7m h LEU 310 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3d7m h LEU 310 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3d7m h LEU 310 CO 0.00 0.00 1.37 0.21 0.09 0.00 0.00 178.44 180.11 3d7m s ASN 311 N -4.68 5.68 0.73 -0.43 2.47 -0.96 -4.88 114.94 112.86 3d7m s ASN 311 Ca 0.08 1.55 0.01 0.00 0.42 0.00 0.00 52.86 54.92 3d7m s ASN 311 Cb 0.11 -2.52 0.14 0.00 -1.45 0.00 0.00 41.25 37.53 3d7m s ASN 311 CO 0.54 -1.83 1.00 -0.54 -3.72 0.00 0.00 177.10 172.55 3d7m s LYS 312 N 5.99 1.62 -1.16 0.43 1.02 -1.26 -3.93 119.74 122.45 3d7m s LYS 312 Ca 0.89 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 55.60 3d7m s LYS 312 Cb -0.27 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.68 3d7m s LYS 312 CO 0.34 -1.49 0.00 0.54 -0.92 0.00 0.00 175.35 173.82 3d7m n ARG 313 N -2.82 -1.41 -0.21 1.68 1.74 -1.26 -4.84 116.66 109.54 3d7m n ARG 313 Ca 0.17 0.85 -0.05 0.00 -0.77 0.00 0.00 57.85 58.04 3d7m n ARG 313 Cb 0.61 -5.11 -0.05 0.00 -1.02 0.00 0.00 32.46 26.89 3d7m n ARG 313 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3d7m n LYS 314 N -1.38 -0.22 0.00 5.56 4.81 -1.25 0.25 118.16 125.93 3d7m n LYS 314 Ca -0.11 1.16 0.13 0.00 -0.87 0.00 0.00 58.31 58.63 3d7m n LYS 314 Cb 0.52 -1.72 0.79 0.00 0.02 0.00 0.00 35.03 34.63 3d7m n LYS 314 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3d7m n ASP 315 N -4.11 0.00 0.00 3.14 5.75 -1.26 -3.11 116.55 116.96 3d7m n ASP 315 Ca 0.01 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.84 3d7m n ASP 315 Cb 0.13 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 3d7m n ASP 315 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3d7m n THR 316 N -0.97 0.64 -3.69 2.12 -2.24 -0.05 -5.03 114.28 105.06 3d7m n THR 316 Ca 0.20 -0.78 -0.10 0.00 -2.27 0.00 0.00 64.05 61.09 3d7m n THR 316 Cb 0.09 0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 68.92 3d7m n THR 316 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3d7m s LYS 317 N -0.64 0.47 0.08 -0.78 2.20 0.14 -5.04 119.74 116.16 3d7m s LYS 317 Ca 0.00 0.84 0.02 0.00 -0.36 0.00 0.00 55.97 56.47 3d7m s LYS 317 Cb 0.00 0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.32 3d7m s LYS 317 CO 0.00 -0.14 0.15 -1.21 -0.36 0.00 0.00 175.35 173.79 3d7m s GLU 318 N 1.27 3.17 -0.24 4.03 2.02 -1.26 -4.63 118.70 123.06 3d7m s GLU 318 Ca -0.08 -0.58 -0.03 0.00 0.02 0.00 0.00 54.97 54.30 3d7m s GLU 318 Cb -0.07 -2.88 0.01 0.00 0.10 0.00 0.00 34.13 31.29 3d7m s GLU 318 CO -0.12 0.58 -0.05 0.42 0.02 0.00 0.00 175.26 176.11 3d7m s ILE 319 N -1.48 3.12 -0.82 -1.63 1.01 -1.26 -4.38 121.20 115.76 3d7m s ILE 319 Ca 0.32 -0.76 -0.18 0.00 0.00 0.00 0.00 60.65 60.04 3d7m s ILE 319 Cb -0.12 -2.50 0.14 0.00 0.01 0.00 0.00 42.46 39.99 3d7m s ILE 319 CO 0.25 0.31 0.95 -0.31 0.00 0.00 0.00 174.94 176.15 3d7m s TYR 320 N 1.40 3.22 0.06 3.97 1.51 -0.82 -4.95 117.35 121.74 3d7m s TYR 320 Ca 0.03 -1.39 -0.18 0.00 -1.01 0.00 0.00 57.07 54.52 3d7m s TYR 320 Cb -0.15 -4.13 -0.06 0.00 -0.11 0.00 0.00 41.96 37.51 3d7m s TYR 320 CO -0.04 -1.35 0.53 0.99 -1.11 0.00 0.00 175.55 174.57 3d7m s THR 321 N 2.19 4.82 0.15 -0.71 2.01 -1.26 -1.13 115.64 121.70 3d7m s THR 321 Ca 0.25 1.10 -0.03 0.00 0.31 0.00 0.00 61.69 63.32 3d7m s THR 321 Cb -0.10 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 3d7m s THR 321 CO -0.05 0.55 0.11 -1.00 -0.69 0.00 0.00 174.62 173.54 3d7m s HIS 322 N -1.12 0.82 -0.05 4.92 3.76 0.17 -4.95 115.29 118.84 3d7m s HIS 322 Ca 0.28 -1.17 0.05 0.00 -0.15 0.00 0.00 55.06 54.07 3d7m s HIS 322 Cb -0.19 -0.41 -0.01 0.00 1.11 0.00 0.00 32.58 33.09 3d7m s HIS 322 CO 0.18 -0.58 -0.20 -0.06 -0.85 0.00 0.00 174.74 173.23 3d7m s PHE 323 N -4.05 1.94 0.20 1.40 0.40 -1.26 -0.79 117.98 115.83 3d7m s PHE 323 Ca 0.25 -0.56 0.02 0.00 -0.60 0.00 0.00 56.93 56.04 3d7m s PHE 323 Cb 0.07 -1.29 -0.05 0.00 0.51 0.00 0.00 43.02 42.26 3d7m s PHE 323 CO 0.03 -0.17 0.04 0.95 0.70 0.00 0.00 175.22 176.76 3d7m s THR 324 N -0.05 0.63 -0.49 0.64 -4.23 -0.98 -4.91 115.64 106.24 3d7m s THR 324 Ca -0.03 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.53 3d7m s THR 324 Cb -0.12 -2.31 0.16 0.00 1.34 0.00 0.00 72.50 71.58 3d7m s THR 324 CO 0.02 -0.30 0.35 0.00 -0.54 0.00 0.00 174.62 174.16 3d7m n ALA 326 N 2.82 1.09 -0.20 0.00 0.00 -1.26 0.20 120.51 123.15 3d7m n ALA 326 Ca 0.22 0.37 0.07 0.00 0.00 0.00 0.00 53.44 54.11 3d7m n ALA 326 Cb 0.41 -0.65 0.29 0.00 0.00 0.00 0.00 19.45 19.50 3d7m n ALA 326 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3d7m n THR 327 N -3.26 1.57 -3.97 0.00 -2.24 -1.26 -4.68 114.28 100.44 3d7m n THR 327 Ca 0.25 -0.95 -0.31 0.00 -2.27 0.00 0.00 64.05 60.77 3d7m n THR 327 Cb 1.54 -0.03 -0.15 0.00 -2.10 0.00 0.00 70.33 69.59 3d7m n THR 327 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3d7m s ASP 328 N -0.77 4.57 0.50 3.42 2.15 0.13 -4.97 116.67 121.70 3d7m s ASP 328 Ca 0.41 -2.32 0.26 0.00 0.43 0.00 0.00 52.55 51.32 3d7m s ASP 328 Cb 0.27 -1.55 1.35 0.00 -0.30 0.00 0.00 42.92 42.69 3d7m s ASP 328 CO 0.18 -0.35 1.91 0.74 -0.17 0.00 0.00 175.17 177.48 3d7m h THR 329 N 6.31 0.63 0.05 1.71 2.02 -1.85 -0.91 112.91 120.87 3d7m h THR 329 Ca -0.06 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.10 3d7m h THR 329 Cb 0.99 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 3d7m h THR 329 CO 0.55 0.02 -0.11 0.11 0.37 0.00 0.00 175.52 176.46 3d7m h LYS 330 N 0.12 -0.20 0.65 6.66 6.56 -1.95 -2.69 116.57 125.72 3d7m h LYS 330 Ca 0.39 0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.97 3d7m h LYS 330 Cb 1.38 0.05 0.01 0.00 -0.57 0.00 0.00 32.23 33.09 3d7m h LYS 330 CO -0.05 -0.14 -0.31 -0.97 -2.06 0.00 0.00 179.45 175.92 3d7m h ASN 331 N -0.21 -0.74 -1.42 0.86 -0.00 -1.52 -2.50 115.58 110.05 3d7m h ASN 331 Ca 0.02 0.03 0.42 0.00 -0.00 0.00 0.00 56.30 56.77 3d7m h ASN 331 Cb 0.24 0.19 -0.08 0.00 -0.00 0.00 0.00 38.32 38.67 3d7m h ASN 331 CO -0.07 -0.40 0.99 0.58 -0.00 0.00 0.00 177.43 178.53 3d7m h VAL 332 N -1.14 0.25 0.08 2.57 2.07 -1.48 0.54 116.25 119.14 3d7m h VAL 332 Ca -0.09 -0.02 -0.31 0.00 0.82 0.00 0.00 66.70 67.10 3d7m h VAL 332 Cb 0.67 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3d7m h VAL 332 CO 0.15 0.01 -1.65 0.00 0.02 0.00 0.00 177.57 176.10 3d7m h PHE 334 N 0.05 1.15 0.06 0.00 3.57 0.43 0.46 116.94 122.65 3d7m h PHE 334 Ca -0.28 -0.13 -0.28 0.00 3.53 0.00 0.00 57.97 60.81 3d7m h PHE 334 Cb 2.00 -0.33 0.02 0.00 2.79 0.00 0.00 35.95 40.44 3d7m h PHE 334 CO 0.04 0.93 -1.14 0.28 -2.23 0.00 0.00 178.31 176.19 3d7m h VAL 335 N 1.04 1.28 0.00 1.41 2.07 -0.96 -3.15 116.25 117.95 3d7m h VAL 335 Ca 0.22 -2.36 -0.06 0.00 0.82 0.00 0.00 66.70 65.32 3d7m h VAL 335 Cb 0.34 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 3d7m h VAL 335 CO -0.00 0.72 -0.29 0.15 0.02 0.00 0.00 177.57 178.18 3d7m h PHE 336 N 0.33 0.00 -0.90 1.57 3.57 -0.90 0.30 116.94 120.91 3d7m h PHE 336 Ca -0.16 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.36 3d7m h PHE 336 Cb 1.80 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.50 3d7m h PHE 336 CO 0.11 0.29 0.59 0.22 -2.23 0.00 0.00 178.31 177.29 3d7m h ASP 337 N 0.00 1.02 0.12 0.41 1.82 -0.08 -1.10 116.42 118.61 3d7m h ASP 337 Ca -0.00 -0.02 -0.20 0.00 -0.39 0.00 0.00 57.03 56.42 3d7m h ASP 337 Cb 0.52 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.29 3d7m h ASP 337 CO 0.04 0.73 -0.76 0.00 -1.61 0.00 0.00 179.24 177.64 3d7m h ALA 338 N 1.34 0.49 -0.50 -0.78 0.00 -1.26 -2.77 119.26 115.79 3d7m h ALA 338 Ca 0.34 -0.61 0.04 0.00 0.00 0.00 0.00 54.91 54.68 3d7m h ALA 338 Cb -0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3d7m h ALA 338 CO -0.08 0.74 0.25 0.28 0.00 0.00 0.00 179.25 180.43 3d7m h VAL 339 N 0.36 0.95 -0.48 0.00 2.07 -0.36 -0.29 116.25 118.51 3d7m h VAL 339 Ca -0.04 -0.17 -0.12 0.00 0.82 0.00 0.00 66.70 67.19 3d7m h VAL 339 Cb 1.35 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3d7m h VAL 339 CO 0.14 0.09 -0.19 0.71 0.02 0.00 0.00 177.57 178.34 3d7m h THR 340 N 0.49 1.27 -0.58 2.57 1.35 -1.27 -2.76 112.91 113.98 3d7m h THR 340 Ca 0.22 -1.35 0.02 0.00 -0.55 0.00 0.00 66.41 64.76 3d7m h THR 340 Cb 0.13 1.13 -0.04 0.00 -1.73 0.00 0.00 68.15 67.65 3d7m h THR 340 CO -0.16 0.46 0.36 0.44 -0.25 0.00 0.00 175.52 176.37 3d7m h ASP 341 N 0.82 0.59 -0.20 5.36 3.32 -1.06 -1.78 116.42 123.47 3d7m h ASP 341 Ca 0.11 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 3d7m h ASP 341 Cb 0.76 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 3d7m h ASP 341 CO 0.06 0.41 0.12 0.58 -1.72 0.00 0.00 179.24 178.69 3d7m h VAL 342 N 0.71 1.08 -0.33 -1.35 2.07 -1.02 -1.27 116.25 116.14 3d7m h VAL 342 Ca 0.23 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.61 3d7m h VAL 342 Cb 0.00 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3d7m h VAL 342 CO -0.09 0.08 0.23 0.40 0.02 0.00 0.00 177.57 178.21 3d7m h ILE 343 N 0.23 0.91 -0.29 4.57 2.04 -1.26 0.37 117.51 124.08 3d7m h ILE 343 Ca 0.07 -0.05 -0.12 0.00 1.00 0.00 0.00 64.86 65.76 3d7m h ILE 343 Cb 0.03 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3d7m h ILE 343 CO -0.01 0.03 -0.32 0.40 0.00 0.00 0.00 178.15 178.24 3d7m h ILE 344 N 0.15 1.28 0.42 -0.67 2.04 -0.39 0.30 117.51 120.64 3d7m h ILE 344 Ca 0.15 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 3d7m h ILE 344 Cb 0.41 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 3d7m h ILE 344 CO -0.02 0.47 -0.20 0.11 0.00 0.00 0.00 178.15 178.50 3d7m h LYS 345 N 0.53 -0.54 0.00 2.37 1.57 -0.17 -3.30 116.57 117.03 3d7m h LYS 345 Ca 0.06 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3d7m h LYS 345 Cb 0.82 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.25 3d7m h LYS 345 CO 0.07 -0.36 0.00 -0.97 -0.57 0.00 0.00 179.45 177.62 3d7m h ASN 346 N -0.90 0.00 0.00 0.86 -1.24 -1.01 -3.51 115.58 109.77 3d7m h ASN 346 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.95 3d7m h ASN 346 Cb 0.43 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.48 3d7m h ASN 346 CO 0.09 0.00 0.00 -3.20 -1.29 0.00 0.00 177.43 173.03