#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfx s ASN 65 N 0.00 5.19 0.21 6.41 -0.87 -1.26 -4.85 114.94 119.77 1xfx s ASN 65 Ca 0.00 1.00 -0.09 0.00 -1.57 0.00 0.00 52.86 52.19 1xfx s ASN 65 Cb 0.00 -2.52 0.30 0.00 -0.02 0.00 0.00 41.25 39.02 1xfx s ASN 65 CO 0.00 -2.32 1.72 0.25 -2.57 0.00 0.00 177.10 174.19 1xfx h LEU 66 N 16.55 0.12 -9.52 0.60 5.85 -1.96 -3.43 115.31 123.52 1xfx h LEU 66 Ca -0.29 0.10 -0.64 0.00 0.84 0.00 0.00 57.88 57.89 1xfx h LEU 66 Cb 1.21 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.26 1xfx h LEU 66 CO 1.12 0.07 -0.44 0.54 -0.34 0.00 0.00 178.44 179.40 1xfx s VAL 67 N -6.09 5.41 -0.15 1.05 0.11 -1.26 0.86 120.40 120.32 1xfx s VAL 67 Ca -0.13 0.31 0.01 0.00 -2.93 0.00 0.00 61.98 59.24 1xfx s VAL 67 Cb 0.18 -3.48 0.02 0.00 -1.53 0.00 0.00 36.38 31.57 1xfx s VAL 67 CO 0.74 0.55 -0.17 -0.54 -3.33 0.00 0.00 175.10 172.35 1xfx s LYS 68 N -0.55 2.59 -0.38 1.54 3.01 -0.28 -4.93 119.74 120.73 1xfx s LYS 68 Ca 0.14 -0.68 -0.14 0.00 -1.01 0.00 0.00 55.97 54.28 1xfx s LYS 68 Cb -0.12 -2.26 0.01 0.00 -1.01 0.00 0.00 37.83 34.44 1xfx s LYS 68 CO 0.04 -0.18 0.29 0.95 0.51 0.00 0.00 175.35 176.96 1xfx s THR 69 N 1.29 5.25 0.00 2.17 -4.23 -1.26 -1.49 115.64 117.37 1xfx s THR 69 Ca 0.02 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 1xfx s THR 69 Cb -0.13 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.85 1xfx s THR 69 CO -0.09 -0.20 0.22 1.21 -0.54 0.00 0.00 174.62 175.22 1xfx n GLU 70 N 5.18 0.00 -3.21 3.99 4.07 0.30 -4.73 120.64 126.24 1xfx n GLU 70 Ca -0.11 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.59 1xfx n GLU 70 Cb 0.48 -0.67 -0.07 0.00 -0.06 0.00 0.00 31.44 31.12 1xfx n GLU 70 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 1xfx s PHE 71 N -0.45 3.26 -0.80 4.31 5.99 -1.26 -4.93 117.98 124.09 1xfx s PHE 71 Ca 0.00 0.62 -0.03 0.00 0.00 0.00 0.00 56.93 57.52 1xfx s PHE 71 Cb 0.00 -2.78 0.22 0.00 0.00 0.00 0.00 43.02 40.47 1xfx s PHE 71 CO 0.00 -0.33 2.29 0.25 -0.00 0.00 0.00 175.22 177.43 1xfx n THR 72 N 5.21 4.10 -0.05 0.12 -2.24 -1.26 -4.59 114.28 115.57 1xfx n THR 72 Ca -0.03 -4.14 -0.01 0.00 -2.27 0.00 0.00 64.05 57.60 1xfx n THR 72 Cb 0.49 -1.50 -0.00 0.00 -2.10 0.00 0.00 70.33 67.22 1xfx n THR 72 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1xfx h ASN 73 N 3.38 0.00 -4.12 3.42 -1.24 -2.00 -3.46 115.58 111.55 1xfx h ASN 73 Ca 0.52 0.00 -0.49 0.00 0.71 0.00 0.00 56.30 57.04 1xfx h ASN 73 Cb 0.33 0.00 0.06 0.00 0.73 0.00 0.00 38.32 39.44 1xfx h ASN 73 CO 1.22 0.47 0.40 -1.61 -1.29 0.00 0.00 177.43 176.62 1xfx s GLU 74 N -1.59 3.37 0.00 6.67 8.01 -1.26 -5.01 118.70 128.89 1xfx s GLU 74 Ca -0.03 1.43 0.00 0.00 0.01 0.00 0.00 54.97 56.39 1xfx s GLU 74 Cb 0.00 -2.02 0.00 0.00 -4.31 0.00 0.00 34.13 27.80 1xfx s GLU 74 CO 0.04 -0.80 0.00 0.25 0.01 0.00 0.00 175.26 174.76 1xfx n THR 75 N -1.53 0.00 -0.33 3.63 -2.24 -1.26 -4.37 114.28 108.18 1xfx n THR 75 Ca 0.10 0.00 0.23 0.00 -2.27 0.00 0.00 64.05 62.11 1xfx n THR 75 Cb 0.52 0.00 0.43 0.00 -2.10 0.00 0.00 70.33 69.18 1xfx n THR 75 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1xfx h LEU 76 N 0.00 -0.11 -0.47 3.22 -0.00 -1.97 -0.90 115.31 115.08 1xfx h LEU 76 Ca 0.00 0.27 0.08 0.00 -0.00 0.00 0.00 57.88 58.23 1xfx h LEU 76 Cb 0.00 0.39 -0.08 0.00 -0.00 0.00 0.00 40.66 40.97 1xfx h LEU 76 CO 0.00 -0.39 -0.15 0.47 -0.00 0.00 0.00 178.44 178.37 1xfx n ASP 77 N -5.38 -0.24 0.22 -0.43 10.43 -1.26 0.44 116.55 120.33 1xfx n ASP 77 Ca 0.30 0.81 -0.12 0.00 2.57 0.00 0.00 54.79 58.35 1xfx n ASP 77 Cb 1.00 -0.21 -0.06 0.00 1.84 0.00 0.00 41.12 43.68 1xfx n ASP 77 CO 0.00 0.00 0.00 0.50 -1.07 0.00 0.00 177.20 176.63 1xfx h LYS 78 N 0.00 -0.58 0.22 -1.24 1.63 -1.36 -3.12 116.57 112.11 1xfx h LYS 78 Ca 0.19 0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.03 1xfx h LYS 78 Cb 0.31 0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 1xfx h LYS 78 CO -0.47 -0.30 -0.20 0.82 -3.45 0.00 0.00 179.45 175.85 1xfx h ILE 79 N -1.04 0.00 0.00 2.00 2.04 0.60 -1.17 117.51 119.93 1xfx h ILE 79 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1xfx h ILE 79 Cb 0.56 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1xfx h ILE 79 CO 0.10 0.00 0.00 1.67 0.00 0.00 0.00 178.15 179.92 1xfx n GLN 80 N -3.56 0.00 0.00 2.37 -0.06 1.54 0.75 117.38 118.43 1xfx n GLN 80 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.95 1xfx n GLN 80 Cb 0.19 -0.88 0.00 0.00 -4.06 0.00 0.00 30.24 25.49 1xfx n GLN 80 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1xfx n GLN 81 N 0.32 0.00 -0.11 3.69 7.27 -0.60 -4.37 117.38 123.58 1xfx n GLN 81 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.00 1xfx n GLN 81 Cb 0.00 -0.40 0.01 0.00 2.41 0.00 0.00 30.24 32.26 1xfx n GLN 81 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1xfx h THR 82 N 0.00 1.00 0.19 1.69 1.35 0.15 0.15 112.91 117.44 1xfx h THR 82 Ca 0.00 -0.14 -0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1xfx h THR 82 Cb 0.79 0.56 -0.01 0.00 -1.73 0.00 0.00 68.15 67.76 1xfx h THR 82 CO 0.00 0.07 -0.21 1.56 -0.25 0.00 0.00 175.52 176.69 1xfx h GLN 83 N 0.40 -0.39 -1.15 4.72 4.20 -1.47 -0.74 115.11 120.69 1xfx h GLN 83 Ca 0.15 0.03 0.43 0.00 0.06 0.00 0.00 58.65 59.33 1xfx h GLN 83 Cb 0.05 0.09 -0.15 0.00 0.30 0.00 0.00 27.48 27.76 1xfx h GLN 83 CO -0.10 -0.26 0.69 -0.25 -0.67 0.00 0.00 178.83 178.24 1xfx n ASP 84 N -3.60 0.27 0.36 1.46 8.00 -1.07 0.07 116.55 122.04 1xfx n ASP 84 Ca -0.05 1.47 -0.17 0.00 0.71 0.00 0.00 54.79 56.76 1xfx n ASP 84 Cb 0.19 -0.72 -0.08 0.00 -0.02 0.00 0.00 41.12 40.48 1xfx n ASP 84 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1xfx h LEU 85 N 0.00 -0.79 -0.80 0.64 5.85 0.43 -3.32 115.31 117.32 1xfx h LEU 85 Ca 0.84 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 59.43 1xfx h LEU 85 Cb 2.46 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 43.68 1xfx h LEU 85 CO -0.60 -0.47 -0.44 -0.07 -0.34 0.00 0.00 178.44 176.52 1xfx h LEU 86 N -1.08 0.38 -0.72 2.25 3.38 0.74 -3.02 115.31 117.24 1xfx h LEU 86 Ca -0.09 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1xfx h LEU 86 Cb 0.74 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1xfx h LEU 86 CO 0.16 0.77 0.00 2.29 0.09 0.00 0.00 178.44 181.75 1xfx n LYS 87 N -4.01 0.08 -0.00 1.13 2.85 0.08 -1.10 118.16 117.20 1xfx n LYS 87 Ca -0.02 0.54 -0.09 0.00 -1.05 0.00 0.00 58.31 57.68 1xfx n LYS 87 Cb 0.51 -1.75 -0.14 0.00 -0.65 0.00 0.00 35.03 33.01 1xfx n LYS 87 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1xfx h LYS 88 N 0.00 0.03 -6.31 -1.58 3.11 -1.63 -3.45 116.57 106.74 1xfx h LYS 88 Ca 0.00 -0.05 -0.55 0.00 -2.81 0.00 0.00 60.65 57.24 1xfx h LYS 88 Cb 0.06 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.27 1xfx h LYS 88 CO 0.00 0.65 0.44 0.42 -2.81 0.00 0.00 179.45 178.15 1xfx s ILE 89 N -2.62 4.84 0.02 2.00 1.01 -0.26 -4.98 121.20 121.22 1xfx s ILE 89 Ca -0.05 2.01 -0.33 0.00 0.00 0.00 0.00 60.65 62.27 1xfx s ILE 89 Cb 0.08 -4.30 -0.12 0.00 0.01 0.00 0.00 42.46 38.13 1xfx s ILE 89 CO 0.82 0.09 1.80 -0.81 0.00 0.00 0.00 174.94 176.84 1xfx n PRO 90 N 4.41 2.29 -0.39 2.79 -0.04 -1.26 -4.83 135.00 137.96 1xfx n PRO 90 Ca 0.07 0.83 0.31 0.00 -0.04 0.00 0.00 63.50 64.67 1xfx n PRO 90 Cb 0.50 -2.67 0.51 0.00 -0.04 0.00 0.00 33.50 31.80 1xfx n PRO 90 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1xfx n LYS 91 N 5.66 -0.02 0.01 0.54 3.00 -1.26 0.19 118.16 126.28 1xfx n LYS 91 Ca 0.20 0.83 -0.18 0.00 -0.00 0.00 0.00 58.31 59.17 1xfx n LYS 91 Cb 0.31 -1.73 -0.12 0.00 0.00 0.00 0.00 35.03 33.49 1xfx n LYS 91 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1xfx h ASP 92 N 0.00 0.52 -0.29 3.14 3.32 -1.92 -1.83 116.42 119.35 1xfx h ASP 92 Ca 0.63 -0.79 0.08 0.00 0.02 0.00 0.00 57.03 56.97 1xfx h ASP 92 Cb 2.21 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 41.59 1xfx h ASP 92 CO -0.22 1.25 0.30 1.62 -1.72 0.00 0.00 179.24 180.47 1xfx h VAL 93 N -0.15 0.48 0.14 -1.35 3.04 0.18 0.40 116.25 118.99 1xfx h VAL 93 Ca -0.09 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.41 1xfx h VAL 93 Cb 1.36 0.77 0.02 0.00 -2.01 0.00 0.00 31.29 31.43 1xfx h VAL 93 CO 0.12 0.00 -0.86 -0.07 -1.01 0.00 0.00 177.57 175.75 1xfx h LEU 94 N 0.00 0.47 -1.78 3.16 3.38 -1.32 -3.08 115.31 116.14 1xfx h LEU 94 Ca 0.14 -0.95 0.06 0.00 0.09 0.00 0.00 57.88 57.22 1xfx h LEU 94 Cb 0.73 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1xfx h LEU 94 CO -0.00 1.41 0.27 -0.33 0.09 0.00 0.00 178.44 179.88 1xfx h GLU 95 N -0.36 0.27 -0.20 1.13 4.39 0.48 0.24 114.58 120.54 1xfx h GLU 95 Ca -0.15 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.41 1xfx h GLU 95 Cb 1.66 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.24 1xfx h GLU 95 CO 0.15 0.18 -0.37 0.82 -1.16 0.00 0.00 179.01 178.63 1xfx h ILE 96 N 0.28 1.30 0.24 3.13 2.04 -0.61 -0.35 117.51 123.53 1xfx h ILE 96 Ca 0.17 -1.49 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 1xfx h ILE 96 Cb 0.33 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1xfx h ILE 96 CO -0.04 0.46 -0.12 0.22 0.00 0.00 0.00 178.15 178.68 1xfx h TYR 97 N 0.37 -0.30 -0.93 1.37 3.20 -0.56 -1.50 116.97 118.62 1xfx h TYR 97 Ca 0.04 -0.01 0.25 0.00 3.14 0.00 0.00 58.73 62.15 1xfx h TYR 97 Cb 0.82 0.10 -0.14 0.00 1.54 0.00 0.00 36.73 39.06 1xfx h TYR 97 CO 0.03 -0.19 0.41 0.66 -1.64 0.00 0.00 178.16 177.43 1xfx h SER 98 N -0.48 0.32 -0.37 -2.11 4.64 -0.86 0.21 113.55 114.91 1xfx h SER 98 Ca -0.03 0.17 0.03 0.00 -0.47 0.00 0.00 61.79 61.49 1xfx h SER 98 Cb 0.25 0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 1xfx h SER 98 CO 0.05 -0.07 0.18 -0.08 -0.87 0.00 0.00 176.83 176.05 1xfx h GLU 99 N 0.35 0.37 0.00 4.77 4.57 -1.03 0.41 114.58 124.02 1xfx h GLU 99 Ca 0.61 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.77 1xfx h GLU 99 Cb 1.25 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1xfx h GLU 99 CO -0.58 0.24 0.00 1.28 -1.18 0.00 0.00 179.01 178.77 1xfx n LEU 100 N -4.93 0.00 0.00 1.64 4.77 0.68 -4.78 117.00 114.38 1xfx n LEU 100 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1xfx n LEU 100 Cb 0.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1xfx n LEU 100 CO 0.31 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1xfx n GLY 101 N -0.11 1.32 3.62 -0.72 0.00 0.15 -4.56 105.19 104.88 1xfx n GLY 101 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1xfx n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xfx s GLY 102 N -1.80 1.63 0.01 -0.02 0.00 -0.77 -4.75 107.32 101.62 1xfx s GLY 102 Ca 0.00 0.29 -0.05 0.00 0.00 0.00 0.00 44.72 44.95 1xfx s GLY 102 CO 0.00 0.81 0.09 -0.54 0.00 0.00 0.00 173.10 173.46 1xfx s GLU 103 N -4.62 0.44 -0.08 2.90 2.02 -1.03 -4.21 118.70 114.12 1xfx s GLU 103 Ca 0.67 -0.46 0.01 0.00 0.02 0.00 0.00 54.97 55.21 1xfx s GLU 103 Cb -0.23 0.18 -0.03 0.00 0.10 0.00 0.00 34.13 34.15 1xfx s GLU 103 CO 0.60 -0.10 -0.11 0.42 0.02 0.00 0.00 175.26 176.09 1xfx s ILE 104 N -1.43 3.33 -0.22 -1.63 1.01 0.25 -2.43 121.20 120.08 1xfx s ILE 104 Ca -0.15 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 1xfx s ILE 104 Cb -0.08 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 40.05 1xfx s ILE 104 CO 0.01 0.57 -0.10 -0.31 0.00 0.00 0.00 174.94 175.11 1xfx s TYR 105 N -0.47 2.94 -0.27 3.97 1.51 0.69 -1.13 117.35 124.59 1xfx s TYR 105 Ca 0.06 -1.37 -0.05 0.00 -1.01 0.00 0.00 57.07 54.70 1xfx s TYR 105 Cb -0.12 -2.03 0.01 0.00 -0.11 0.00 0.00 41.96 39.71 1xfx s TYR 105 CO 0.02 -0.69 0.03 -0.06 -1.11 0.00 0.00 175.55 173.74 1xfx s PHE 106 N 1.37 3.10 0.26 2.71 0.08 -0.56 0.20 117.98 125.15 1xfx s PHE 106 Ca 0.04 -1.08 0.06 0.00 0.12 0.00 0.00 56.93 56.07 1xfx s PHE 106 Cb -0.15 -2.19 -0.05 0.00 -0.57 0.00 0.00 43.02 40.06 1xfx s PHE 106 CO -0.07 -0.60 -0.07 0.95 -0.10 0.00 0.00 175.22 175.34 1xfx s THR 107 N 1.46 1.58 0.00 0.64 -4.23 0.06 0.11 115.64 115.26 1xfx s THR 107 Ca 0.03 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 58.41 1xfx s THR 107 Cb -0.17 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.32 1xfx s THR 107 CO 0.00 -0.36 0.00 -0.67 -0.54 0.00 0.00 174.62 173.05 1xfx n ASP 108 N -0.52 0.00 -4.48 3.99 4.64 -1.26 -3.18 116.55 115.73 1xfx n ASP 108 Ca -0.06 0.00 -0.12 0.00 -1.38 0.00 0.00 54.79 53.23 1xfx n ASP 108 Cb 0.63 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 40.61 1xfx n ASP 108 CO 0.00 0.00 0.00 -0.38 -0.82 0.00 0.00 177.20 176.00 1xfx n ILE 109 N -0.11 0.00 -3.34 5.18 5.41 -1.26 -4.55 119.36 120.69 1xfx n ILE 109 Ca 0.00 -0.19 -0.26 0.00 1.00 0.00 0.00 62.75 63.30 1xfx n ILE 109 Cb 0.00 -1.60 -0.09 0.00 -0.71 0.00 0.00 39.64 37.24 1xfx n ILE 109 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1xfx n ASP 110 N 16.83 -0.18 0.14 4.38 9.92 -1.26 -5.00 116.55 141.37 1xfx n ASP 110 Ca 0.37 -2.50 -0.09 0.00 -0.53 0.00 0.00 54.79 52.05 1xfx n ASP 110 Cb 0.45 -0.58 -0.05 0.00 -0.64 0.00 0.00 41.12 40.30 1xfx n ASP 110 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1xfx h LEU 111 N 5.11 -0.36 0.00 0.64 3.38 -1.86 -3.44 115.31 118.78 1xfx h LEU 111 Ca 0.21 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1xfx h LEU 111 Cb 0.90 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1xfx h LEU 111 CO 0.41 0.11 0.00 0.52 0.09 0.00 0.00 178.44 179.57 1xfx n VAL 112 N -5.06 0.00 -0.28 1.22 0.31 -1.26 -4.70 118.33 108.56 1xfx n VAL 112 Ca -0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.18 1xfx n VAL 112 Cb 0.22 -1.55 -0.01 0.00 -0.91 0.00 0.00 33.84 31.59 1xfx n VAL 112 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xfx n GLU 113 N -0.89 0.80 -0.00 5.55 1.02 -1.26 -3.92 120.64 121.93 1xfx n GLU 113 Ca 0.00 -0.85 0.02 0.00 -0.02 0.00 0.00 57.16 56.30 1xfx n GLU 113 Cb 0.00 -2.16 -0.02 0.00 -0.02 0.00 0.00 31.44 29.23 1xfx n GLU 113 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1xfx n HIS 114 N 4.65 0.00 -2.26 -0.32 -0.00 -1.26 -4.76 115.22 111.27 1xfx n HIS 114 Ca 0.17 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 58.00 1xfx n HIS 114 Cb 0.05 -0.06 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1xfx n HIS 114 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 1xfx s LYS 115 N -1.98 3.38 0.00 1.57 2.20 -1.25 -4.84 119.74 118.82 1xfx s LYS 115 Ca -0.01 1.63 0.00 0.00 -0.36 0.00 0.00 55.97 57.24 1xfx s LYS 115 Cb 0.02 -2.04 0.00 0.00 -1.51 0.00 0.00 37.83 34.30 1xfx s LYS 115 CO 0.14 -0.83 0.72 -0.85 -0.36 0.00 0.00 175.35 174.17 1xfx n GLU 116 N -1.23 0.00 0.00 4.03 0.28 -1.26 0.13 120.64 122.59 1xfx n GLU 116 Ca 0.11 0.26 0.00 0.00 -0.16 0.00 0.00 57.16 57.37 1xfx n GLU 116 Cb 0.51 -1.62 0.00 0.00 1.43 0.00 0.00 31.44 31.76 1xfx n GLU 116 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1xfx n LEU 117 N -1.22 0.76 -1.46 -1.84 7.99 -1.26 -4.80 117.00 115.17 1xfx n LEU 117 Ca 0.00 -0.76 0.04 0.00 -0.01 0.00 0.00 56.01 55.29 1xfx n LEU 117 Cb 0.12 0.00 0.27 0.00 -0.11 0.00 0.00 43.42 43.70 1xfx n LEU 117 CO 0.00 0.19 0.68 0.00 -1.51 0.00 0.00 177.39 176.75 1xfx n GLN 118 N -0.16 3.59 -2.50 3.23 1.13 0.35 -4.95 117.38 118.08 1xfx n GLN 118 Ca 0.00 -2.13 -0.15 0.00 -1.94 0.00 0.00 57.00 52.79 1xfx n GLN 118 Cb 0.31 -2.02 0.05 0.00 0.11 0.00 0.00 30.24 28.70 1xfx n GLN 118 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1xfx n ASP 119 N 0.39 1.60 -4.52 1.08 10.43 -1.26 -4.45 116.55 119.82 1xfx n ASP 119 Ca 0.19 -2.16 -0.24 0.00 2.57 0.00 0.00 54.79 55.16 1xfx n ASP 119 Cb 0.91 -0.31 -0.16 0.00 1.84 0.00 0.00 41.12 43.40 1xfx n ASP 119 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 1xfx n LEU 120 N 0.00 -0.03 0.00 0.64 -0.00 -1.26 -4.84 117.00 111.51 1xfx n LEU 120 Ca 0.12 -0.68 0.00 0.00 -0.00 0.00 0.00 56.01 55.45 1xfx n LEU 120 Cb 0.45 -0.98 0.00 0.00 -0.00 0.00 0.00 43.42 42.89 1xfx n LEU 120 CO 0.29 -1.65 0.00 -1.20 -0.00 0.00 0.00 177.39 174.83 1xfx n SER 121 N 10.62 0.00 -4.56 1.96 7.64 -1.26 -5.03 113.62 122.99 1xfx n SER 121 Ca 0.60 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 60.09 1xfx n SER 121 Cb 0.23 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.40 1xfx n SER 121 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1xfx n GLU 122 N 0.00 1.26 0.00 1.43 0.00 -1.26 -4.87 120.64 117.20 1xfx n GLU 122 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 57.16 57.31 1xfx n GLU 122 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 31.44 28.14 1xfx n GLU 122 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1xfx n GLU 123 N 8.90 3.08 -2.16 3.44 0.00 -1.26 -4.68 120.64 127.96 1xfx n GLU 123 Ca 0.36 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 57.09 1xfx n GLU 123 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.91 1xfx n GLU 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1xfx s GLU 124 N 4.83 3.59 -0.16 3.44 2.56 -1.26 -4.83 118.70 126.87 1xfx s GLU 124 Ca 0.00 1.37 -0.08 0.00 0.00 0.00 0.00 54.97 56.26 1xfx s GLU 124 Cb 0.00 -4.08 -0.07 0.00 2.00 0.00 0.00 34.13 31.99 1xfx s GLU 124 CO 0.00 -1.54 -0.21 1.63 -0.56 0.00 0.00 175.26 174.59 1xfx n LYS 125 N 8.00 0.34 -4.45 4.30 4.76 -1.26 -5.01 118.16 124.84 1xfx n LYS 125 Ca 0.19 0.15 -0.22 0.00 -2.87 0.00 0.00 58.31 55.56 1xfx n LYS 125 Cb 0.47 -1.06 -0.10 0.00 -1.84 0.00 0.00 35.03 32.49 1xfx n LYS 125 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1xfx s ASN 126 N -6.41 3.21 -0.83 4.39 -0.87 -1.26 -5.10 114.94 108.06 1xfx s ASN 126 Ca -0.22 -1.09 0.02 0.00 -1.57 0.00 0.00 52.86 49.99 1xfx s ASN 126 Cb 0.08 -0.24 0.32 0.00 -0.02 0.00 0.00 41.25 41.39 1xfx s ASN 126 CO 0.28 -0.14 1.35 -1.20 -2.57 0.00 0.00 177.10 174.82 1xfx n SER 127 N -0.59 5.81 -3.99 -1.22 7.64 -1.26 -4.88 113.62 115.14 1xfx n SER 127 Ca -0.06 -3.62 -0.31 0.00 1.01 0.00 0.00 58.87 55.88 1xfx n SER 127 Cb 0.61 -0.91 -0.10 0.00 -1.01 0.00 0.00 64.21 62.80 1xfx n SER 127 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xfx s MET 128 N -3.61 2.72 0.00 1.43 0.23 -1.26 -4.79 119.30 114.02 1xfx s MET 128 Ca 0.41 -3.22 0.00 0.00 -1.03 0.00 0.00 55.69 51.85 1xfx s MET 128 Cb 0.20 -3.62 0.00 0.00 -1.53 0.00 0.00 34.83 29.88 1xfx s MET 128 CO -0.09 -1.26 0.00 0.09 -2.03 0.00 0.00 175.02 171.74 1xfx n ASN 129 N 2.27 0.00 -1.98 -1.18 5.03 -1.26 -5.02 115.26 113.12 1xfx n ASN 129 Ca 0.18 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.63 1xfx n ASN 129 Cb 0.36 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.12 1xfx n ASN 129 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1xfx n SER 130 N -0.34 0.00 0.00 6.41 3.41 -1.26 -4.96 113.62 116.87 1xfx n SER 130 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1xfx n SER 130 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1xfx n SER 130 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1xfx n ARG 131 N 0.00 0.00 -2.17 4.33 0.63 -1.26 -4.45 116.66 113.74 1xfx n ARG 131 Ca 0.00 0.58 -0.29 0.00 -0.92 0.00 0.00 57.85 57.21 1xfx n ARG 131 Cb 0.00 -1.46 0.01 0.00 0.45 0.00 0.00 32.46 31.46 1xfx n ARG 131 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1xfx s GLY 132 N -0.92 1.60 0.10 5.14 0.00 -1.26 -5.01 107.32 106.96 1xfx s GLY 132 Ca 0.00 -0.29 -0.19 0.00 0.00 0.00 0.00 44.72 44.24 1xfx s GLY 132 CO 0.00 -0.05 0.58 1.85 0.00 0.00 0.00 173.10 175.48 1xfx s GLU 133 N -5.03 4.17 0.21 2.90 2.56 -1.26 -4.72 118.70 117.53 1xfx s GLU 133 Ca 0.53 0.71 0.00 0.00 0.00 0.00 0.00 54.97 56.21 1xfx s GLU 133 Cb -0.11 -3.16 0.00 0.00 2.00 0.00 0.00 34.13 32.86 1xfx s GLU 133 CO 0.50 0.60 0.00 1.17 -0.56 0.00 0.00 175.26 176.97 1xfx n LYS 134 N 1.49 0.00 -1.29 4.30 4.81 -1.26 -4.90 118.16 121.31 1xfx n LYS 134 Ca -0.09 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.25 1xfx n LYS 134 Cb 0.51 -0.16 -0.04 0.00 0.02 0.00 0.00 35.03 35.36 1xfx n LYS 134 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1xfx n VAL 135 N -3.41 0.00 -0.14 3.15 3.14 -1.26 -4.93 118.33 114.88 1xfx n VAL 135 Ca 0.00 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.33 1xfx n VAL 135 Cb 0.00 -1.21 0.02 0.00 -1.06 0.00 0.00 33.84 31.59 1xfx n VAL 135 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1xfx n PRO 136 N -2.58 1.22 0.00 1.45 -0.04 -1.26 -4.85 135.00 128.94 1xfx n PRO 136 Ca -0.10 -0.47 0.00 0.00 -0.04 0.00 0.00 63.50 62.89 1xfx n PRO 136 Cb 0.34 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1xfx n PRO 136 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xfx n PHE 137 N 0.81 0.00 -0.10 0.54 -0.00 -1.26 -0.01 117.46 117.43 1xfx n PHE 137 Ca 0.09 0.00 0.18 0.00 -0.00 0.00 0.00 57.45 57.73 1xfx n PHE 137 Cb 0.58 0.00 0.28 0.00 -0.00 0.00 0.00 39.48 40.34 1xfx n PHE 137 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1xfx n ALA 138 N 0.00 0.66 -0.86 3.13 0.00 -1.26 0.17 120.51 122.34 1xfx n ALA 138 Ca 0.00 0.23 -0.21 0.00 0.00 0.00 0.00 53.44 53.46 1xfx n ALA 138 Cb 0.00 -0.39 0.13 0.00 0.00 0.00 0.00 19.45 19.19 1xfx n ALA 138 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xfx n SER 139 N -2.69 4.30 -4.65 0.00 3.41 0.98 -4.67 113.62 110.29 1xfx n SER 139 Ca 0.15 -3.34 -0.23 0.00 -0.26 0.00 0.00 58.87 55.20 1xfx n SER 139 Cb 1.13 -0.82 -0.07 0.00 -0.26 0.00 0.00 64.21 64.19 1xfx n SER 139 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xfx s ARG 140 N -2.73 2.30 0.00 4.33 1.81 0.45 -5.01 118.95 120.10 1xfx s ARG 140 Ca 0.47 -1.44 0.00 0.00 -1.72 0.00 0.00 55.73 53.04 1xfx s ARG 140 Cb 0.39 -2.16 0.00 0.00 -0.45 0.00 0.00 34.95 32.73 1xfx s ARG 140 CO 0.07 0.34 0.00 1.97 -0.68 0.00 0.00 175.30 177.00 1xfx n PHE 141 N -0.92 0.00 -4.45 -0.53 -1.74 -1.26 -4.68 117.46 103.88 1xfx n PHE 141 Ca -0.06 0.00 -0.21 0.00 -0.56 0.00 0.00 57.45 56.62 1xfx n PHE 141 Cb 0.59 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.44 1xfx n PHE 141 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1xfx s VAL 142 N 0.00 0.88 -0.06 1.97 1.01 -1.26 -1.45 120.40 121.49 1xfx s VAL 142 Ca 0.00 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1xfx s VAL 142 Cb 0.00 -0.78 0.07 0.00 0.00 0.00 0.00 36.38 35.66 1xfx s VAL 142 CO 0.00 0.27 0.65 0.12 0.00 0.00 0.00 175.10 176.14 1xfx s PHE 143 N 0.23 -0.63 -0.28 5.22 5.36 0.91 -4.99 117.98 123.81 1xfx s PHE 143 Ca -0.04 1.10 -0.02 0.00 -0.96 0.00 0.00 56.93 57.00 1xfx s PHE 143 Cb -0.10 0.38 0.04 0.00 -0.34 0.00 0.00 43.02 43.00 1xfx s PHE 143 CO 0.01 -0.58 -0.02 -2.00 -1.46 0.00 0.00 175.22 171.17 1xfx s GLU 144 N -1.13 2.67 -1.14 10.12 2.56 -1.26 0.45 118.70 130.97 1xfx s GLU 144 Ca -0.11 -1.10 -0.20 0.00 0.00 0.00 0.00 54.97 53.56 1xfx s GLU 144 Cb -0.01 -3.11 -0.06 0.00 2.00 0.00 0.00 34.13 32.96 1xfx s GLU 144 CO 0.09 -0.51 1.93 1.17 -0.56 0.00 0.00 175.26 177.38 1xfx n LYS 145 N 4.66 2.10 -0.21 4.30 4.81 0.57 -4.84 118.16 129.55 1xfx n LYS 145 Ca -0.15 -2.50 0.19 0.00 -0.87 0.00 0.00 58.31 54.99 1xfx n LYS 145 Cb 0.45 -3.40 0.35 0.00 0.02 0.00 0.00 35.03 32.46 1xfx n LYS 145 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1xfx n LYS 146 N 7.65 -0.04 0.20 1.64 2.85 -1.26 -3.80 118.16 125.39 1xfx n LYS 146 Ca 0.48 0.91 -0.14 0.00 -1.05 0.00 0.00 58.31 58.51 1xfx n LYS 146 Cb 0.44 -1.61 -0.08 0.00 -0.65 0.00 0.00 35.03 33.13 1xfx n LYS 146 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 1xfx h ARG 147 N 0.00 -0.48 0.00 -1.58 2.43 -1.88 -3.46 114.38 109.41 1xfx h ARG 147 Ca 0.53 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.73 1xfx h ARG 147 Cb 1.36 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.02 1xfx h ARG 147 CO -0.52 -0.19 0.00 -1.91 -1.51 0.00 0.00 179.97 175.84 1xfx n GLU 148 N -5.20 0.00 -3.28 0.20 4.07 -1.26 -4.98 120.64 110.19 1xfx n GLU 148 Ca -0.10 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.67 1xfx n GLU 148 Cb 0.27 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.59 1xfx n GLU 148 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1xfx s THR 149 N 0.00 4.80 0.05 6.31 -1.32 -1.26 -5.01 115.64 119.20 1xfx s THR 149 Ca 0.00 0.78 -0.30 0.00 -1.21 0.00 0.00 61.69 60.96 1xfx s THR 149 Cb 0.00 -3.66 -0.04 0.00 -1.51 0.00 0.00 72.50 67.28 1xfx s THR 149 CO 0.00 -0.02 0.98 -2.16 -2.21 0.00 0.00 174.62 171.21 1xfx s PRO 150 N -2.61 4.61 -0.32 7.08 0.04 -1.26 -4.82 135.00 137.71 1xfx s PRO 150 Ca 0.47 1.45 0.03 0.00 0.04 0.00 0.00 61.00 62.99 1xfx s PRO 150 Cb -0.12 -3.42 0.09 0.00 0.04 0.00 0.00 34.50 31.09 1xfx s PRO 150 CO 0.20 0.05 0.04 0.15 0.04 0.00 0.00 177.00 177.48 1xfx s LYS 151 N 0.60 1.35 -0.18 4.56 1.02 -1.25 -2.46 119.74 123.39 1xfx s LYS 151 Ca 0.50 -1.59 -0.18 0.00 0.02 0.00 0.00 55.97 54.72 1xfx s LYS 151 Cb -0.22 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 1xfx s LYS 151 CO 0.29 -0.90 0.49 -1.17 -0.92 0.00 0.00 175.35 173.14 1xfx s LEU 152 N 1.12 4.18 -0.11 3.17 0.20 -1.02 -0.31 118.68 125.91 1xfx s LEU 152 Ca 0.08 0.69 0.02 0.00 0.69 0.00 0.00 54.13 55.61 1xfx s LEU 152 Cb -0.19 -2.68 0.01 0.00 -0.43 0.00 0.00 46.19 42.91 1xfx s LEU 152 CO -0.12 -0.12 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.02 1xfx s ILE 153 N 1.31 1.65 0.01 6.68 1.01 0.17 0.25 121.20 132.29 1xfx s ILE 153 Ca 0.24 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 60.15 1xfx s ILE 153 Cb -0.15 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 1xfx s ILE 153 CO 0.10 0.47 -0.03 -0.63 0.00 0.00 0.00 174.94 174.84 1xfx s ILE 154 N 0.84 0.22 0.09 2.92 -1.09 0.55 -0.06 121.20 124.66 1xfx s ILE 154 Ca -0.09 -0.43 0.03 0.00 -2.23 0.00 0.00 60.65 57.93 1xfx s ILE 154 Cb -0.15 -0.25 -0.03 0.00 -1.58 0.00 0.00 42.46 40.44 1xfx s ILE 154 CO 0.00 -0.14 -0.09 0.54 -1.23 0.00 0.00 174.94 174.02 1xfx s ASN 155 N -0.61 1.31 0.21 3.58 4.22 -0.53 -0.76 114.94 122.36 1xfx s ASN 155 Ca -0.05 -0.79 0.06 0.00 -2.14 0.00 0.00 52.86 49.94 1xfx s ASN 155 Cb -0.04 0.02 -0.05 0.00 1.28 0.00 0.00 41.25 42.46 1xfx s ASN 155 CO -0.00 -0.27 -0.08 -0.63 -2.04 0.00 0.00 177.10 174.07 1xfx s ILE 156 N -2.37 1.40 0.00 0.54 1.09 -1.19 -4.85 121.20 115.81 1xfx s ILE 156 Ca 0.03 -2.11 0.00 0.00 -1.10 0.00 0.00 60.65 57.47 1xfx s ILE 156 Cb -0.03 -2.13 0.00 0.00 -1.06 0.00 0.00 42.46 39.24 1xfx s ILE 156 CO -0.01 -0.53 0.00 1.17 -0.10 0.00 0.00 174.94 175.48 1xfx n LYS 157 N -0.37 0.00 -0.15 2.79 3.00 -1.26 -4.42 118.16 117.74 1xfx n LYS 157 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 1xfx n LYS 157 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.65 1xfx n LYS 157 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1xfx n ASP 158 N 0.00 0.00 -3.39 3.14 9.92 -1.26 -4.91 116.55 120.05 1xfx n ASP 158 Ca 0.00 -0.20 -0.40 0.00 -0.53 0.00 0.00 54.79 53.66 1xfx n ASP 158 Cb 0.00 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 1xfx n ASP 158 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1xfx n TYR 159 N -0.25 2.57 -2.22 1.24 4.02 -1.26 -4.84 117.16 116.42 1xfx n TYR 159 Ca 0.00 -3.03 0.02 0.00 -0.01 0.00 0.00 57.90 54.87 1xfx n TYR 159 Cb 0.00 -2.38 0.08 0.00 -0.02 0.00 0.00 39.34 37.02 1xfx n TYR 159 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xfx n ALA 160 N 3.53 3.02 0.02 -0.72 0.00 -1.26 -4.90 120.51 120.21 1xfx n ALA 160 Ca 0.73 -2.82 0.03 0.00 0.00 0.00 0.00 53.44 51.38 1xfx n ALA 160 Cb 0.25 -0.60 -0.09 0.00 0.00 0.00 0.00 19.45 19.01 1xfx n ALA 160 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1xfx n ILE 161 N -0.25 0.85 -0.01 0.00 5.41 -1.26 -4.55 119.36 119.54 1xfx n ILE 161 Ca 0.13 -0.64 -0.15 0.00 1.00 0.00 0.00 62.75 63.09 1xfx n ILE 161 Cb 0.95 -0.47 -0.04 0.00 -0.71 0.00 0.00 39.64 39.37 1xfx n ILE 161 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1xfx h ASN 162 N 0.00 0.83 0.45 4.38 2.35 -1.95 -2.94 115.58 118.71 1xfx h ASN 162 Ca -0.14 -0.52 -0.02 0.00 -0.55 0.00 0.00 56.30 55.07 1xfx h ASN 162 Cb 1.42 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 1xfx h ASN 162 CO 0.02 1.30 -0.32 0.28 -1.65 0.00 0.00 177.43 177.07 1xfx h SER 163 N 0.50 -0.83 -3.78 5.81 0.02 -1.95 -3.30 113.55 110.02 1xfx h SER 163 Ca -0.03 0.05 -0.72 0.00 -0.84 0.00 0.00 61.79 60.25 1xfx h SER 163 Cb 1.33 0.25 -0.33 0.00 0.14 0.00 0.00 62.40 63.79 1xfx h SER 163 CO 0.14 -0.47 -0.14 -0.70 -1.14 0.00 0.00 176.83 174.53 1xfx s GLU 164 N -4.85 3.10 0.02 3.45 2.12 -1.26 -4.87 118.70 116.42 1xfx s GLU 164 Ca -0.12 -2.85 0.04 0.00 0.36 0.00 0.00 54.97 52.40 1xfx s GLU 164 Cb 0.02 -3.98 0.18 0.00 0.26 0.00 0.00 34.13 30.61 1xfx s GLU 164 CO 0.38 -1.23 1.12 1.04 -0.54 0.00 0.00 175.26 176.03 1xfx n GLN 165 N 3.07 0.01 0.00 4.30 6.02 -1.11 -2.10 117.38 127.58 1xfx n GLN 165 Ca 0.15 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.61 1xfx n GLN 165 Cb 0.39 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.12 1xfx n GLN 165 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1xfx n SER 166 N -1.56 0.00 -0.11 1.08 2.88 -1.26 -1.70 113.62 112.95 1xfx n SER 166 Ca 0.00 0.20 -0.17 0.00 -1.33 0.00 0.00 58.87 57.58 1xfx n SER 166 Cb 0.03 -0.20 -0.06 0.00 -0.75 0.00 0.00 64.21 63.23 1xfx n SER 166 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1xfx n LYS 167 N -1.15 0.55 0.30 -1.46 2.85 -0.89 -4.37 118.16 113.98 1xfx n LYS 167 Ca 0.00 0.29 0.19 0.00 -1.05 0.00 0.00 58.31 57.74 1xfx n LYS 167 Cb 0.05 -1.50 1.00 0.00 -0.65 0.00 0.00 35.03 33.92 1xfx n LYS 167 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1xfx h GLU 168 N -1.00 0.00 -0.12 -1.58 4.81 -1.54 -1.00 114.58 114.15 1xfx h GLU 168 Ca -0.28 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 1xfx h GLU 168 Cb 1.19 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1xfx h GLU 168 CO -0.17 0.00 -0.02 -0.24 -0.73 0.00 0.00 179.01 177.85 1xfx h VAL 169 N 0.00 1.09 0.00 0.32 3.04 -1.60 -0.75 116.25 118.36 1xfx h VAL 169 Ca 0.00 -0.38 -0.00 0.00 -1.01 0.00 0.00 66.70 65.31 1xfx h VAL 169 Cb 0.14 1.03 -0.00 0.00 -2.01 0.00 0.00 31.29 30.45 1xfx h VAL 169 CO 0.00 0.12 -0.01 1.88 -1.01 0.00 0.00 177.57 178.55 1xfx h TYR 170 N 0.17 0.00 0.00 3.17 -1.99 -1.42 0.02 116.97 116.92 1xfx h TYR 170 Ca 0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.77 1xfx h TYR 170 Cb 0.15 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.88 1xfx h TYR 170 CO 0.00 0.01 0.00 -0.92 -0.00 0.00 0.00 178.16 177.26 1xfx h TYR 171 N 0.00 0.00 0.05 4.88 3.20 -1.26 0.63 116.97 124.47 1xfx h TYR 171 Ca -0.00 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.57 1xfx h TYR 171 Cb 0.58 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 1xfx h TYR 171 CO 0.00 0.00 -1.66 0.39 -1.64 0.00 0.00 178.16 175.25 1xfx n GLU 172 N -2.84 0.65 0.01 1.82 4.71 -0.09 -2.90 120.64 122.01 1xfx n GLU 172 Ca 0.02 0.42 -0.10 0.00 -0.01 0.00 0.00 57.16 57.49 1xfx n GLU 172 Cb 0.35 -1.72 -0.08 0.00 -1.01 0.00 0.00 31.44 28.98 1xfx n GLU 172 CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 1xfx h ILE 173 N -0.52 0.96 -1.49 -3.67 2.10 -1.32 3.25 117.51 116.82 1xfx h ILE 173 Ca -0.40 -1.36 0.46 0.00 1.08 0.00 0.00 64.86 64.63 1xfx h ILE 173 Cb 1.65 1.68 -0.10 0.00 -1.09 0.00 0.00 36.82 38.95 1xfx h ILE 173 CO -0.09 0.27 1.01 1.23 -1.08 0.00 0.00 178.15 179.50 1xfx h GLY 174 N -0.89 0.76 0.00 8.18 0.00 0.07 0.43 103.07 111.63 1xfx h GLY 174 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1xfx h GLY 174 CO 0.02 -0.23 0.00 1.17 0.00 0.00 0.00 176.54 177.51 1xfx n LYS 175 N -4.41 0.00 0.00 4.80 4.81 -1.02 -4.13 118.16 118.21 1xfx n LYS 175 Ca 0.37 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 1xfx n LYS 175 Cb 1.56 -0.89 0.00 0.00 0.02 0.00 0.00 35.03 35.72 1xfx n LYS 175 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xfx n GLY 176 N 2.11 0.00 0.00 3.14 0.00 1.08 0.42 105.19 111.94 1xfx n GLY 176 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xfx n GLY 176 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xfx n ILE 177 N -2.69 0.00 -0.03 -0.61 -5.35 -0.26 -0.50 119.36 109.92 1xfx n ILE 177 Ca 0.00 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1xfx n ILE 177 Cb 0.00 -0.62 -0.00 0.00 -1.74 0.00 0.00 39.64 37.28 1xfx n ILE 177 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1xfx h SER 178 N 0.00 0.00 0.81 7.28 4.64 0.83 -3.43 113.55 123.69 1xfx h SER 178 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xfx h SER 178 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1xfx h SER 178 CO 0.00 0.35 -0.96 0.18 -0.87 0.00 0.00 176.83 175.53 1xfx n LEU 179 N -3.90 0.73 0.00 5.97 4.77 0.34 -4.61 117.00 120.30 1xfx n LEU 179 Ca -0.00 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1xfx n LEU 179 Cb 0.01 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1xfx n LEU 179 CO 0.00 -0.10 0.05 -0.90 -1.33 0.00 0.00 177.39 175.11 1xfx n ASP 180 N -2.38 0.00 0.00 -1.43 5.75 -1.03 0.34 116.55 117.79 1xfx n ASP 180 Ca 0.01 0.10 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 1xfx n ASP 180 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1xfx n ASP 180 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xfx n ILE 181 N -0.14 0.02 -1.48 2.12 3.06 -1.26 0.36 119.36 122.04 1xfx n ILE 181 Ca 0.00 0.02 0.00 0.00 -2.50 0.00 0.00 62.75 60.27 1xfx n ILE 181 Cb 0.00 -1.02 0.00 0.00 0.54 0.00 0.00 39.64 39.16 1xfx n ILE 181 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1xfx n ILE 182 N -0.63 0.00 0.00 9.51 0.00 -1.22 -4.27 119.36 122.75 1xfx n ILE 182 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 1xfx n ILE 182 Cb 0.01 0.87 0.00 0.00 0.00 0.00 0.00 39.64 40.53 1xfx n ILE 182 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1xfx n SER 183 N 0.00 0.00 0.00 9.51 2.88 1.13 -4.35 113.62 122.79 1xfx n SER 183 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1xfx n SER 183 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1xfx n SER 183 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1xfx n LYS 184 N 0.00 0.35 -0.45 -1.46 3.00 -1.20 -4.13 118.16 114.27 1xfx n LYS 184 Ca 0.00 0.00 0.39 0.00 -0.00 0.00 0.00 58.31 58.70 1xfx n LYS 184 Cb 0.00 -0.68 0.72 0.00 0.00 0.00 0.00 35.03 35.07 1xfx n LYS 184 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1xfx h ASP 185 N 0.00 0.11 0.00 3.14 -0.00 -1.86 -3.31 116.42 114.50 1xfx h ASP 185 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.03 57.07 1xfx h ASP 185 Cb 0.36 0.03 0.00 0.00 -0.00 0.00 0.00 39.33 39.72 1xfx h ASP 185 CO 0.00 -0.03 0.00 1.17 -0.00 0.00 0.00 179.24 180.38 1xfx n LYS 186 N -4.28 0.08 -0.33 0.28 4.81 -1.25 -3.58 118.16 113.89 1xfx n LYS 186 Ca 0.33 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.88 1xfx n LYS 186 Cb 1.45 -0.01 0.32 0.00 0.02 0.00 0.00 35.03 36.81 1xfx n LYS 186 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1xfx h SER 187 N 0.00 0.79 0.00 3.14 0.87 -1.72 -3.34 113.55 113.29 1xfx h SER 187 Ca 0.00 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1xfx h SER 187 Cb 0.00 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1xfx h SER 187 CO 0.00 0.36 0.00 0.18 -0.53 0.00 0.00 176.83 176.84 1xfx n LEU 188 N -4.66 0.00 0.00 2.23 4.77 -1.26 -4.97 117.00 113.12 1xfx n LEU 188 Ca 0.20 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.17 1xfx n LEU 188 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1xfx n LEU 188 CO 0.26 0.00 0.01 0.47 -1.33 0.00 0.00 177.39 176.80 1xfx n ASP 189 N 0.00 0.57 -3.21 -1.43 10.43 -1.25 -4.80 116.55 116.85 1xfx n ASP 189 Ca 0.00 -1.08 -0.19 0.00 2.57 0.00 0.00 54.79 56.08 1xfx n ASP 189 Cb 0.00 -0.01 -0.04 0.00 1.84 0.00 0.00 41.12 42.91 1xfx n ASP 189 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 1xfx n PRO 190 N -0.83 0.59 -1.58 -0.24 -0.02 -1.23 -4.26 135.00 127.43 1xfx n PRO 190 Ca 0.00 -0.95 -0.52 0.00 -2.02 0.00 0.00 63.50 60.01 1xfx n PRO 190 Cb 0.03 -2.30 -0.06 0.00 -0.02 0.00 0.00 33.50 31.15 1xfx n PRO 190 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xfx n GLU 191 N 5.72 1.10 -0.09 -0.52 -0.58 -1.26 -3.94 120.64 121.06 1xfx n GLU 191 Ca 0.25 0.40 0.09 0.00 -0.42 0.00 0.00 57.16 57.48 1xfx n GLU 191 Cb 0.16 -2.02 0.17 0.00 -0.57 0.00 0.00 31.44 29.19 1xfx n GLU 191 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1xfx n PHE 192 N 2.35 0.34 -0.25 -0.32 3.01 -1.26 0.11 117.46 121.44 1xfx n PHE 192 Ca 0.18 0.34 0.03 0.00 1.01 0.00 0.00 57.45 59.01 1xfx n PHE 192 Cb 0.19 -0.81 0.12 0.00 -0.01 0.00 0.00 39.48 38.97 1xfx n PHE 192 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1xfx h LEU 193 N 0.00 -0.51 0.00 4.37 3.38 -1.96 2.27 115.31 122.85 1xfx h LEU 193 Ca 0.25 0.21 -0.11 0.00 0.09 0.00 0.00 57.88 58.32 1xfx h LEU 193 Cb 0.65 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1xfx h LEU 193 CO -0.23 -0.21 -1.34 -3.20 0.09 0.00 0.00 178.44 173.55 1xfx n ASN 194 N -5.41 0.77 -0.04 -0.43 2.85 0.30 -2.37 115.26 110.93 1xfx n ASN 194 Ca 0.11 0.32 -0.10 0.00 -0.11 0.00 0.00 54.58 54.81 1xfx n ASN 194 Cb 0.42 0.40 0.05 0.00 1.24 0.00 0.00 39.78 41.89 1xfx n ASN 194 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1xfx h LEU 195 N 0.00 0.73 0.00 1.20 5.85 -0.09 0.58 115.31 123.58 1xfx h LEU 195 Ca -0.11 -0.34 -0.22 0.00 0.84 0.00 0.00 57.88 58.05 1xfx h LEU 195 Cb 1.37 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 1xfx h LEU 195 CO 0.03 1.06 -1.36 0.40 -0.34 0.00 0.00 178.44 178.23 1xfx h ILE 196 N 0.55 0.87 -0.18 4.05 2.04 0.35 -3.06 117.51 122.12 1xfx h ILE 196 Ca 0.04 -2.52 -0.13 0.00 1.00 0.00 0.00 64.86 63.25 1xfx h ILE 196 Cb 0.98 2.35 -0.01 0.00 -0.74 0.00 0.00 36.82 39.40 1xfx h ILE 196 CO 0.09 0.49 -0.43 0.50 0.00 0.00 0.00 178.15 178.80 1xfx h LYS 197 N 0.00 0.42 0.00 2.37 3.11 -1.40 -1.53 116.57 119.54 1xfx h LYS 197 Ca -0.17 -0.22 -0.07 0.00 -2.81 0.00 0.00 60.65 57.38 1xfx h LYS 197 Cb 1.76 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.98 1xfx h LYS 197 CO 0.07 0.78 -0.33 1.03 -2.81 0.00 0.00 179.45 178.20 1xfx h SER 198 N 0.35 0.00 0.12 4.20 0.87 -0.93 -1.38 113.55 116.78 1xfx h SER 198 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1xfx h SER 198 Cb 0.90 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1xfx h SER 198 CO 0.08 0.33 0.00 0.18 -0.53 0.00 0.00 176.83 176.89 1xfx n LEU 199 N -3.80 0.35 -0.54 2.23 4.77 -0.58 -2.38 117.00 117.05 1xfx n LEU 199 Ca -0.01 0.65 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 1xfx n LEU 199 Cb 0.41 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1xfx n LEU 199 CO 0.36 -0.71 0.08 -0.24 -1.33 0.00 0.00 177.39 175.55 1xfx n SER 200 N -1.96 0.33 0.00 -1.43 2.88 -0.52 -3.52 113.62 109.40 1xfx n SER 200 Ca -0.00 -0.57 0.00 0.00 -1.33 0.00 0.00 58.87 56.97 1xfx n SER 200 Cb 0.05 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 1xfx n SER 200 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1xfx n ASP 201 N 0.40 0.00 -0.69 -3.46 2.03 -1.00 -4.72 116.55 109.11 1xfx n ASP 201 Ca 0.00 0.91 -0.01 0.00 0.52 0.00 0.00 54.79 56.21 1xfx n ASP 201 Cb 0.08 -0.41 -0.01 0.00 -0.72 0.00 0.00 41.12 40.06 1xfx n ASP 201 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1xfx n ASP 202 N -1.81 -0.11 -0.06 1.67 5.68 -1.23 -4.49 116.55 116.20 1xfx n ASP 202 Ca 0.00 -1.51 -0.06 0.00 -0.50 0.00 0.00 54.79 52.73 1xfx n ASP 202 Cb 0.00 -0.01 -0.11 0.00 -1.14 0.00 0.00 41.12 39.86 1xfx n ASP 202 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1xfx n SER 203 N 0.04 1.68 0.00 -1.12 3.41 -1.24 -4.93 113.62 111.47 1xfx n SER 203 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1xfx n SER 203 Cb 0.64 0.89 0.00 0.00 -0.26 0.00 0.00 64.21 65.49 1xfx n SER 203 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1xfx n ASP 204 N -2.46 0.00 -4.81 4.04 8.00 -1.26 -4.99 116.55 115.07 1xfx n ASP 204 Ca -0.20 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 54.96 1xfx n ASP 204 Cb 0.90 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.96 1xfx n ASP 204 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1xfx s SER 205 N -1.00 6.46 0.00 -2.24 0.15 -1.26 -4.90 113.70 110.91 1xfx s SER 205 Ca 0.00 1.82 0.00 0.00 0.70 0.00 0.00 55.95 58.47 1xfx s SER 205 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1xfx s SER 205 CO 0.00 -0.69 0.87 -1.20 1.20 0.00 0.00 173.24 173.42 1xfx n SER 206 N -1.05 2.56 -4.05 5.45 7.64 -1.26 -4.48 113.62 118.44 1xfx n SER 206 Ca 0.08 -1.64 -0.34 0.00 1.01 0.00 0.00 58.87 57.99 1xfx n SER 206 Cb 0.53 -0.45 -0.09 0.00 -1.01 0.00 0.00 64.21 63.20 1xfx n SER 206 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1xfx s ASP 207 N 1.10 5.54 -0.37 6.43 1.01 -1.26 -4.90 116.67 124.23 1xfx s ASP 207 Ca 0.00 -3.64 -0.03 0.00 0.71 0.00 0.00 52.55 49.59 1xfx s ASP 207 Cb 0.00 -1.82 0.06 0.00 1.01 0.00 0.00 42.92 42.16 1xfx s ASP 207 CO 0.00 -0.18 2.71 0.18 0.21 0.00 0.00 175.17 178.09 1xfx n LEU 208 N 2.39 6.33 -3.45 1.23 4.32 -1.26 -4.60 117.00 121.95 1xfx n LEU 208 Ca 0.19 -3.79 -0.35 0.00 -0.02 0.00 0.00 56.01 52.04 1xfx n LEU 208 Cb 0.36 -1.22 -0.02 0.00 -1.62 0.00 0.00 43.42 40.93 1xfx n LEU 208 CO 0.33 1.62 0.76 -0.11 -1.22 0.00 0.00 177.39 178.77 1xfx n LEU 209 N 0.95 5.71 -0.85 2.23 7.94 -1.26 -4.68 117.00 127.03 1xfx n LEU 209 Ca 0.44 -5.46 0.03 0.00 -1.11 0.00 0.00 56.01 49.90 1xfx n LEU 209 Cb 0.60 -0.91 0.21 0.00 0.53 0.00 0.00 43.42 43.84 1xfx n LEU 209 CO 0.31 2.09 0.64 2.22 -1.11 0.00 0.00 177.39 181.54 1xfx n PHE 210 N 0.27 0.76 0.84 1.96 1.16 -1.26 -4.07 117.46 117.12 1xfx n PHE 210 Ca 0.35 -1.28 0.09 0.00 -1.87 0.00 0.00 57.45 54.74 1xfx n PHE 210 Cb 0.34 -0.36 0.45 0.00 -1.61 0.00 0.00 39.48 38.30 1xfx n PHE 210 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1xfx n SER 211 N -0.99 0.00 0.01 5.98 2.88 -1.26 -0.94 113.62 119.30 1xfx n SER 211 Ca 0.25 0.05 -0.07 0.00 -1.33 0.00 0.00 58.87 57.78 1xfx n SER 211 Cb 0.90 -0.30 -0.12 0.00 -0.75 0.00 0.00 64.21 63.94 1xfx n SER 211 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 1xfx h GLN 212 N 0.00 0.00 0.00 -1.46 3.07 -2.00 -3.41 115.11 111.31 1xfx h GLN 212 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1xfx h GLN 212 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.74 1xfx h GLN 212 CO 0.00 0.63 -1.13 0.36 0.09 0.00 0.00 178.83 178.78 1xfx n LYS 213 N -3.13 0.55 -3.91 0.06 2.85 -1.09 -4.89 118.16 108.61 1xfx n LYS 213 Ca -0.11 -0.04 -0.29 0.00 -1.05 0.00 0.00 58.31 56.83 1xfx n LYS 213 Cb 0.99 -1.08 -0.13 0.00 -0.65 0.00 0.00 35.03 34.17 1xfx n LYS 213 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1xfx s PHE 214 N -2.24 3.47 0.00 5.58 2.99 -0.11 -4.73 117.98 122.93 1xfx s PHE 214 Ca -0.01 -3.29 0.00 0.00 0.00 0.00 0.00 56.93 53.62 1xfx s PHE 214 Cb 0.03 -2.75 0.00 0.00 0.00 0.00 0.00 43.02 40.30 1xfx s PHE 214 CO 0.19 -0.60 0.00 1.17 -0.00 0.00 0.00 175.22 175.97 1xfx n LYS 215 N 2.30 0.00 0.28 0.44 3.00 -1.26 -4.27 118.16 118.65 1xfx n LYS 215 Ca 0.15 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.59 1xfx n LYS 215 Cb 0.34 0.00 0.79 0.00 0.00 0.00 0.00 35.03 36.16 1xfx n LYS 215 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1xfx h GLU 216 N 0.00 0.00 0.00 1.64 4.11 -1.99 -2.21 114.58 116.13 1xfx h GLU 216 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1xfx h GLU 216 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xfx h GLU 216 CO 0.00 0.03 -1.52 1.63 0.07 0.00 0.00 179.01 179.22 1xfx n LYS 217 N -4.05 0.40 -2.90 1.06 4.76 -1.26 -4.68 118.16 111.50 1xfx n LYS 217 Ca -0.03 -0.10 -0.12 0.00 -2.87 0.00 0.00 58.31 55.19 1xfx n LYS 217 Cb 0.11 -1.53 0.03 0.00 -1.84 0.00 0.00 35.03 31.80 1xfx n LYS 217 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1xfx n LEU 218 N -2.00 0.10 -1.75 -0.35 7.94 -1.03 -4.74 117.00 115.18 1xfx n LEU 218 Ca -0.01 -4.22 0.08 0.00 -1.11 0.00 0.00 56.01 50.76 1xfx n LEU 218 Cb 0.48 0.59 0.38 0.00 0.53 0.00 0.00 43.42 45.40 1xfx n LEU 218 CO 0.44 2.00 0.85 -1.84 -1.11 0.00 0.00 177.39 177.73 1xfx n GLU 219 N 0.09 4.38 -2.25 1.96 0.28 -0.86 -4.51 120.64 119.73 1xfx n GLU 219 Ca 0.14 -3.05 -0.41 0.00 -0.16 0.00 0.00 57.16 53.67 1xfx n GLU 219 Cb 0.74 -2.10 0.00 0.00 1.43 0.00 0.00 31.44 31.50 1xfx n GLU 219 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1xfx n LEU 220 N 0.81 7.31 0.22 -1.84 7.94 -1.26 -4.63 117.00 125.55 1xfx n LEU 220 Ca 0.27 -4.84 0.09 0.00 -1.11 0.00 0.00 56.01 50.42 1xfx n LEU 220 Cb 1.07 -1.39 0.46 0.00 0.53 0.00 0.00 43.42 44.08 1xfx n LEU 220 CO 0.29 1.75 0.79 0.78 -1.11 0.00 0.00 177.39 179.88 1xfx h ASN 221 N 5.13 0.00 -0.99 1.96 2.35 -2.00 -3.31 115.58 118.72 1xfx h ASN 221 Ca 0.52 0.00 -0.73 0.00 -0.55 0.00 0.00 56.30 55.54 1xfx h ASN 221 Cb 0.46 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.73 1xfx h ASN 221 CO 1.52 0.26 2.54 0.59 -1.65 0.00 0.00 177.43 180.69 1xfx n ASN 222 N -3.50 6.83 -3.17 5.81 3.02 -1.26 -4.74 115.26 118.24 1xfx n ASN 222 Ca -0.00 -3.03 0.05 0.00 -0.03 0.00 0.00 54.58 51.56 1xfx n ASN 222 Cb 0.42 -1.45 -0.03 0.00 -0.61 0.00 0.00 39.78 38.11 1xfx n ASN 222 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1xfx s LYS 223 N 0.14 0.06 -0.42 3.52 2.36 -1.25 -5.11 119.74 119.05 1xfx s LYS 223 Ca 0.51 0.13 -0.27 0.00 -2.55 0.00 0.00 55.97 53.79 1xfx s LYS 223 Cb 0.15 0.08 -0.04 0.00 -1.05 0.00 0.00 37.83 36.97 1xfx s LYS 223 CO -0.06 -0.05 2.09 -1.12 1.55 0.00 0.00 175.35 177.77 1xfx s SER 224 N 2.61 5.20 -1.45 1.43 0.01 -1.26 -4.91 113.70 115.33 1xfx s SER 224 Ca -0.05 1.14 -0.11 0.00 1.31 0.00 0.00 55.95 58.25 1xfx s SER 224 Cb -0.06 -2.52 -0.06 0.00 0.21 0.00 0.00 66.02 63.60 1xfx s SER 224 CO -0.11 -2.28 2.64 -0.38 0.41 0.00 0.00 173.24 173.52 1xfx n ILE 225 N 7.62 3.75 0.00 1.44 5.41 -1.26 -4.73 119.36 131.59 1xfx n ILE 225 Ca 0.28 -2.44 0.00 0.00 1.00 0.00 0.00 62.75 61.59 1xfx n ILE 225 Cb 0.50 -2.53 0.00 0.00 -0.71 0.00 0.00 39.64 36.90 1xfx n ILE 225 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1xfx n ASP 226 N 4.35 0.00 -0.00 4.38 4.64 -1.26 -4.68 116.55 123.98 1xfx n ASP 226 Ca 0.67 0.00 0.02 0.00 -1.38 0.00 0.00 54.79 54.10 1xfx n ASP 226 Cb 0.25 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.31 1xfx n ASP 226 CO 0.00 0.00 0.00 -0.38 -0.82 0.00 0.00 177.20 176.00 1xfx n ILE 227 N 0.00 0.00 0.24 5.18 5.41 -1.26 -4.14 119.36 124.80 1xfx n ILE 227 Ca 0.00 -0.39 0.13 0.00 1.00 0.00 0.00 62.75 63.49 1xfx n ILE 227 Cb 0.00 0.96 0.57 0.00 -0.71 0.00 0.00 39.64 40.46 1xfx n ILE 227 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1xfx h ASN 228 N 0.00 0.00 0.00 4.38 4.21 -1.91 -3.41 115.58 118.86 1xfx h ASN 228 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1xfx h ASN 228 Cb 0.10 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 1xfx h ASN 228 CO 0.00 0.14 0.00 0.33 -1.29 0.00 0.00 177.43 176.61 1xfx n PHE 229 N -3.33 0.00 -0.02 1.19 7.35 -1.26 -4.88 117.46 116.52 1xfx n PHE 229 Ca 0.00 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.86 1xfx n PHE 229 Cb 0.37 0.00 0.63 0.00 0.35 0.00 0.00 39.48 40.82 1xfx n PHE 229 CO 0.00 0.00 0.00 0.97 -0.76 0.00 0.00 176.76 176.97 1xfx h ILE 230 N 0.00 0.79 0.30 -2.13 2.10 -1.79 -2.93 117.51 113.86 1xfx h ILE 230 Ca 0.00 -0.04 -0.01 0.00 1.08 0.00 0.00 64.86 65.88 1xfx h ILE 230 Cb 0.00 0.65 0.00 0.00 -1.09 0.00 0.00 36.82 36.38 1xfx h ILE 230 CO 0.00 0.02 -0.17 0.11 -1.08 0.00 0.00 178.15 177.04 1xfx h LYS 231 N 0.13 -0.41 -0.35 2.19 1.57 -1.87 -3.11 116.57 114.72 1xfx h LYS 231 Ca 0.25 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.18 1xfx h LYS 231 Cb 0.82 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 33.16 1xfx h LYS 231 CO -0.03 -0.28 0.10 -1.91 -0.57 0.00 0.00 179.45 176.76 1xfx n GLU 232 N -3.27 -0.02 -2.69 3.15 4.07 -1.10 -0.85 120.64 119.92 1xfx n GLU 232 Ca -0.05 0.50 -0.26 0.00 -0.06 0.00 0.00 57.16 57.29 1xfx n GLU 232 Cb 0.18 -0.85 -0.01 0.00 -0.06 0.00 0.00 31.44 30.69 1xfx n GLU 232 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1xfx n ASN 233 N -4.05 4.28 -0.35 4.31 3.02 -1.18 -4.80 115.26 116.49 1xfx n ASN 233 Ca 0.11 -3.62 0.14 0.00 -0.03 0.00 0.00 54.58 51.18 1xfx n ASN 233 Cb 0.36 -0.51 0.34 0.00 -0.61 0.00 0.00 39.78 39.36 1xfx n ASN 233 CO 0.00 0.00 0.00 0.17 -2.62 0.00 0.00 177.26 174.81 1xfx h LEU 234 N 2.77 0.75 -0.29 3.41 -0.00 -0.99 -0.79 115.31 120.18 1xfx h LEU 234 Ca 0.21 0.11 0.06 0.00 -0.00 0.00 0.00 57.88 58.25 1xfx h LEU 234 Cb 0.78 -0.02 -0.06 0.00 -0.00 0.00 0.00 40.66 41.36 1xfx h LEU 234 CO 0.80 0.22 -0.09 0.71 -0.00 0.00 0.00 178.44 180.09 1xfx h THR 235 N 0.71 0.67 -0.16 0.15 1.35 -1.87 -2.50 112.91 111.26 1xfx h THR 235 Ca 0.60 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 66.43 1xfx h THR 235 Cb 1.01 0.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 1xfx h THR 235 CO -0.41 0.00 -0.04 -0.08 -0.25 0.00 0.00 175.52 174.74 1xfx h GLU 236 N -0.03 0.23 0.00 4.72 4.81 -1.53 -1.04 114.58 121.74 1xfx h GLU 236 Ca 0.14 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1xfx h GLU 236 Cb 0.24 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1xfx h GLU 236 CO -0.31 0.29 0.00 1.19 -0.73 0.00 0.00 179.01 179.45 1xfx n PHE 237 N -4.36 0.00 -0.14 0.92 3.72 -0.95 -2.61 117.46 114.04 1xfx n PHE 237 Ca -0.01 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.11 1xfx n PHE 237 Cb 0.19 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.63 1xfx n PHE 237 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1xfx n GLN 238 N -0.68 0.59 0.25 -1.08 6.02 -0.41 -3.33 117.38 118.75 1xfx n GLN 238 Ca 0.08 0.25 0.10 0.00 -0.01 0.00 0.00 57.00 57.41 1xfx n GLN 238 Cb 0.04 -1.49 0.37 0.00 1.02 0.00 0.00 30.24 30.18 1xfx n GLN 238 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1xfx h HIS 239 N -0.87 0.00 0.00 1.08 3.86 -1.33 0.22 115.15 118.11 1xfx h HIS 239 Ca -0.69 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.52 1xfx h HIS 239 Cb 1.65 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.12 1xfx h HIS 239 CO -0.08 0.00 -0.52 0.00 0.86 0.00 0.00 177.93 178.20 1xfx n ALA 240 N -1.78 0.45 -0.20 2.45 0.00 -1.22 -3.27 120.51 116.94 1xfx n ALA 240 Ca 0.03 -0.45 0.31 0.00 0.00 0.00 0.00 53.44 53.32 1xfx n ALA 240 Cb 0.84 0.02 0.69 0.00 0.00 0.00 0.00 19.45 21.00 1xfx n ALA 240 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1xfx h PHE 241 N -0.82 0.00 0.32 0.00 3.57 -1.18 0.16 116.94 118.98 1xfx h PHE 241 Ca 0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1xfx h PHE 241 Cb 0.52 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1xfx h PHE 241 CO -0.22 0.00 -0.15 0.77 -2.23 0.00 0.00 178.31 176.48 1xfx h SER 242 N 0.00 -0.36 -0.73 0.41 0.02 -1.19 -1.44 113.55 110.26 1xfx h SER 242 Ca 0.47 0.01 0.17 0.00 -0.84 0.00 0.00 61.79 61.60 1xfx h SER 242 Cb 2.16 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 64.75 1xfx h SER 242 CO -0.00 -0.05 0.50 -0.07 -1.14 0.00 0.00 176.83 176.07 1xfx h LEU 243 N -0.84 0.22 -0.47 5.07 3.38 -1.08 0.71 115.31 122.30 1xfx h LEU 243 Ca -0.04 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1xfx h LEU 243 Cb 0.32 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1xfx h LEU 243 CO 0.07 0.11 -0.04 0.00 0.09 0.00 0.00 178.44 178.67 1xfx h ALA 244 N 1.65 0.64 -0.06 1.53 0.00 -0.81 0.24 119.26 122.46 1xfx h ALA 244 Ca 0.36 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1xfx h ALA 244 Cb 1.07 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1xfx h ALA 244 CO -0.08 0.48 0.02 0.35 0.00 0.00 0.00 179.25 180.02 1xfx h PHE 245 N 0.71 0.10 -0.49 0.00 3.04 0.13 0.15 116.94 120.59 1xfx h PHE 245 Ca 0.13 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.11 1xfx h PHE 245 Cb 0.57 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 39.02 1xfx h PHE 245 CO 0.04 0.28 0.33 0.66 -2.02 0.00 0.00 178.31 177.60 1xfx h SER 246 N -0.10 0.45 0.04 0.41 4.64 0.07 -1.72 113.55 117.34 1xfx h SER 246 Ca 0.02 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1xfx h SER 246 Cb 0.23 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1xfx h SER 246 CO -0.00 0.30 -0.02 1.88 -0.87 0.00 0.00 176.83 178.12 1xfx h TYR 247 N 0.52 -0.05 -0.76 4.77 -1.99 -0.71 0.33 116.97 119.07 1xfx h TYR 247 Ca 0.20 -0.00 0.21 0.00 2.00 0.00 0.00 58.73 61.14 1xfx h TYR 247 Cb 0.16 0.02 -0.04 0.00 2.00 0.00 0.00 36.73 38.87 1xfx h TYR 247 CO -0.00 0.52 0.54 -0.92 -0.00 0.00 0.00 178.16 178.30 1xfx h TYR 248 N -0.95 0.11 0.00 4.88 3.20 -0.44 -2.49 116.97 121.28 1xfx h TYR 248 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1xfx h TYR 248 Cb 0.60 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1xfx h TYR 248 CO 0.15 0.03 -0.95 1.19 -1.64 0.00 0.00 178.16 176.94 1xfx n PHE 249 N -4.36 0.00 -1.63 -3.82 3.01 -0.67 -4.83 117.46 105.17 1xfx n PHE 249 Ca 0.15 0.00 -0.46 0.00 1.01 0.00 0.00 57.45 58.15 1xfx n PHE 249 Cb 0.77 -0.11 -0.03 0.00 -0.01 0.00 0.00 39.48 40.10 1xfx n PHE 249 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xfx n ALA 250 N -1.53 0.28 0.30 4.37 0.00 0.11 -4.79 120.51 119.25 1xfx n ALA 250 Ca 0.01 0.43 0.18 0.00 0.00 0.00 0.00 53.44 54.05 1xfx n ALA 250 Cb 0.24 -2.16 0.93 0.00 0.00 0.00 0.00 19.45 18.46 1xfx n ALA 250 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1xfx h PRO 251 N 3.63 0.00 0.00 0.00 0.13 -1.89 -3.36 132.00 130.51 1xfx h PRO 251 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1xfx h PRO 251 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1xfx h PRO 251 CO 0.72 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.09 1xfx n ASP 252 N -3.15 0.00 -4.56 1.44 5.75 -1.26 -4.92 116.55 109.84 1xfx n ASP 252 Ca -0.01 0.00 -0.34 0.00 -0.01 0.00 0.00 54.79 54.43 1xfx n ASP 252 Cb 0.30 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.35 1xfx n ASP 252 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1xfx s HIS 253 N 0.00 2.19 -0.14 2.11 -3.43 -1.26 -4.55 115.29 110.21 1xfx s HIS 253 Ca 0.00 -0.15 -0.03 0.00 -0.80 0.00 0.00 55.06 54.09 1xfx s HIS 253 Cb 0.00 -4.39 -0.07 0.00 -1.43 0.00 0.00 32.58 26.68 1xfx s HIS 253 CO 0.00 -1.85 -0.15 2.89 -2.00 0.00 0.00 174.74 173.63 1xfx n ARG 254 N 8.88 0.32 0.20 -0.38 0.00 -1.25 -4.38 116.66 120.04 1xfx n ARG 254 Ca 0.36 0.10 0.05 0.00 -0.00 0.00 0.00 57.85 58.36 1xfx n ARG 254 Cb 0.49 -1.14 0.50 0.00 -0.00 0.00 0.00 32.46 32.30 1xfx n ARG 254 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1xfx h THR 255 N -0.23 1.12 -0.71 8.89 2.02 -1.89 -2.11 112.91 120.00 1xfx h THR 255 Ca -0.32 -0.53 0.10 0.00 0.77 0.00 0.00 66.41 66.42 1xfx h THR 255 Cb 1.39 1.22 -0.08 0.00 -1.74 0.00 0.00 68.15 68.94 1xfx h THR 255 CO -0.12 0.16 0.33 0.58 0.37 0.00 0.00 175.52 176.84 1xfx h VAL 256 N 0.07 0.80 -0.31 3.16 2.07 -1.92 0.72 116.25 120.85 1xfx h VAL 256 Ca 0.02 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 1xfx h VAL 256 Cb 0.26 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1xfx h VAL 256 CO 0.02 0.10 -0.11 0.25 0.02 0.00 0.00 177.57 177.85 1xfx h LEU 257 N 0.55 0.50 -0.39 2.57 5.85 -1.64 -2.21 115.31 120.54 1xfx h LEU 257 Ca 0.36 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1xfx h LEU 257 Cb 0.42 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1xfx h LEU 257 CO -0.30 0.64 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.34 1xfx h GLU 258 N 0.48 0.00 0.00 1.25 4.81 -0.96 -3.27 114.58 116.89 1xfx h GLU 258 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1xfx h GLU 258 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1xfx h GLU 258 CO 0.03 0.02 -1.87 -0.11 -0.73 0.00 0.00 179.01 176.35 1xfx n LEU 259 N -3.11 0.12 0.00 1.64 7.94 0.05 -4.67 117.00 118.97 1xfx n LEU 259 Ca 0.03 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 1xfx n LEU 259 Cb 0.48 -0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.42 1xfx n LEU 259 CO 0.32 0.01 0.00 -1.22 -1.11 0.00 0.00 177.39 175.39 1xfx n TYR 260 N -2.23 0.00 -3.08 1.96 4.02 -0.85 -4.87 117.16 112.11 1xfx n TYR 260 Ca -0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.46 1xfx n TYR 260 Cb 0.55 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.82 1xfx n TYR 260 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xfx s ALA 261 N -4.87 3.40 -0.30 -0.72 0.00 -1.23 -4.75 121.76 113.29 1xfx s ALA 261 Ca 0.00 0.02 0.23 0.00 0.00 0.00 0.00 51.96 52.21 1xfx s ALA 261 Cb 0.00 -2.93 0.09 0.00 0.00 0.00 0.00 23.12 20.28 1xfx s ALA 261 CO 0.00 -0.19 1.19 -1.00 0.00 0.00 0.00 175.76 175.75 1xfx h PRO 262 N 6.90 0.00 0.00 0.00 0.13 -1.83 -3.38 132.00 133.82 1xfx h PRO 262 Ca -0.39 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.59 1xfx h PRO 262 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1xfx h PRO 262 CO 0.76 0.00 -0.90 0.22 -0.23 0.00 0.00 178.00 177.86 1xfx h ASP 263 N 0.00 0.00 -0.80 1.44 1.82 -1.91 -3.31 116.42 113.66 1xfx h ASP 263 Ca 0.00 -0.49 0.23 0.00 -0.39 0.00 0.00 57.03 56.39 1xfx h ASP 263 Cb 0.99 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.97 1xfx h ASP 263 CO 0.00 1.26 0.69 0.24 -1.61 0.00 0.00 179.24 179.83 1xfx h MET 264 N -1.00 0.00 0.22 0.28 2.86 -1.90 0.79 114.93 116.17 1xfx h MET 264 Ca -0.23 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 1xfx h MET 264 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1xfx h MET 264 CO -0.14 0.00 -0.10 0.35 1.06 0.00 0.00 176.91 178.08 1xfx h PHE 265 N 0.00 -0.27 -0.33 -0.22 3.57 -1.74 0.12 116.94 118.07 1xfx h PHE 265 Ca 0.38 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.82 1xfx h PHE 265 Cb 1.76 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 40.58 1xfx h PHE 265 CO 0.00 0.06 -0.01 1.49 -2.23 0.00 0.00 178.31 177.62 1xfx h GLU 266 N -0.64 0.51 0.83 1.11 4.57 -0.10 0.44 114.58 121.30 1xfx h GLU 266 Ca -0.03 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.00 1xfx h GLU 266 Cb 0.46 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1xfx h GLU 266 CO 0.05 0.54 -0.40 -0.92 -1.18 0.00 0.00 179.01 177.10 1xfx h TYR 267 N 0.49 -1.03 -0.88 0.92 3.20 0.41 0.22 116.97 120.30 1xfx h TYR 267 Ca 0.11 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.04 1xfx h TYR 267 Cb 0.33 0.34 -0.07 0.00 1.54 0.00 0.00 36.73 38.87 1xfx h TYR 267 CO 0.01 -0.64 0.53 0.52 -1.64 0.00 0.00 178.16 176.94 1xfx h MET 268 N -1.13 0.87 0.04 1.82 2.86 -0.38 -1.67 114.93 117.34 1xfx h MET 268 Ca -0.11 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1xfx h MET 268 Cb 0.86 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 1xfx h MET 268 CO 0.19 0.58 -0.03 -0.97 1.06 0.00 0.00 176.91 177.74 1xfx h ASN 269 N 0.90 -0.07 -0.84 1.22 -0.73 0.24 0.39 115.58 116.70 1xfx h ASN 269 Ca 0.41 0.01 0.09 0.00 1.87 0.00 0.00 56.30 58.68 1xfx h ASN 269 Cb 0.32 0.02 -0.07 0.00 0.27 0.00 0.00 38.32 38.86 1xfx h ASN 269 CO -0.23 -0.04 0.49 0.50 -0.37 0.00 0.00 177.43 177.78 1xfx h LYS 270 N -0.07 0.80 -0.67 6.67 1.63 -0.16 1.02 116.57 125.79 1xfx h LYS 270 Ca -0.00 -0.05 0.10 0.00 -0.85 0.00 0.00 60.65 59.86 1xfx h LYS 270 Cb 0.06 -0.18 -0.08 0.00 -0.60 0.00 0.00 32.23 31.43 1xfx h LYS 270 CO -0.00 0.53 0.27 -0.07 -3.45 0.00 0.00 179.45 176.73 1xfx h LEU 271 N 0.82 0.29 -0.44 5.20 3.38 -0.27 0.40 115.31 124.69 1xfx h LEU 271 Ca 0.40 0.08 -0.16 0.00 0.09 0.00 0.00 57.88 58.29 1xfx h LEU 271 Cb 0.35 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1xfx h LEU 271 CO -0.24 0.16 -0.47 -0.08 0.09 0.00 0.00 178.44 177.90 1xfx h GLU 272 N 0.46 0.78 -1.08 1.13 4.81 0.13 0.34 114.58 121.15 1xfx h GLU 272 Ca 0.34 -0.45 0.33 0.00 -0.13 0.00 0.00 59.36 59.46 1xfx h GLU 272 Cb 0.43 0.03 -0.13 0.00 0.63 0.00 0.00 28.75 29.72 1xfx h GLU 272 CO -0.32 1.08 0.65 0.87 -0.73 0.00 0.00 179.01 180.56 1xfx h LYS 273 N 0.62 0.29 0.00 1.92 1.57 0.52 -3.41 116.57 118.08 1xfx h LYS 273 Ca 0.03 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1xfx h LYS 273 Cb 1.04 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1xfx h LYS 273 CO 0.10 0.19 0.00 0.41 -0.57 0.00 0.00 179.45 179.58 1xfx n GLY 274 N -1.38 0.00 0.34 3.86 0.00 -0.30 -4.99 105.19 102.71 1xfx n GLY 274 Ca 0.32 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.51 1xfx n GLY 274 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xfx h GLY 275 N 0.00 0.00 1.61 -0.02 0.00 -0.03 -0.02 103.07 104.61 1xfx h GLY 275 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 1xfx h GLY 275 CO 0.00 0.00 -1.27 0.74 0.00 0.00 0.00 176.54 176.01 1xfx h PHE 276 N 0.00 0.40 0.00 5.60 0.05 -0.71 -3.02 116.94 119.26 1xfx h PHE 276 Ca 0.08 -0.29 0.00 0.00 3.82 0.00 0.00 57.97 61.58 1xfx h PHE 276 Cb 0.49 -0.02 0.00 0.00 2.00 0.00 0.00 35.95 38.43 1xfx h PHE 276 CO 0.00 1.25 0.00 1.49 -0.18 0.00 0.00 178.31 180.87 1xfx h GLU 277 N 0.06 0.00 0.00 1.51 4.81 -1.27 -2.88 114.58 116.81 1xfx h GLU 277 Ca -0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1xfx h GLU 277 Cb 1.95 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.33 1xfx h GLU 277 CO 0.18 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 180.09 1xfx n LYS 278 N -2.52 0.00 -0.42 1.92 5.02 -0.80 -3.01 118.16 118.35 1xfx n LYS 278 Ca 0.02 0.00 0.40 0.00 -2.02 0.00 0.00 58.31 56.71 1xfx n LYS 278 Cb 0.25 -0.45 0.74 0.00 -0.02 0.00 0.00 35.03 35.55 1xfx n LYS 278 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1xfx h ILE 279 N 0.00 0.20 0.00 -0.18 1.08 -1.68 1.45 117.51 118.37 1xfx h ILE 279 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1xfx h ILE 279 Cb 0.00 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 33.97 1xfx h ILE 279 CO 0.00 0.00 0.00 -0.24 -0.69 0.00 0.00 178.15 177.22 1xfx n SER 280 N -3.92 0.18 0.01 1.72 2.88 -1.09 -1.58 113.62 111.83 1xfx n SER 280 Ca 0.31 -1.09 0.00 0.00 -1.33 0.00 0.00 58.87 56.76 1xfx n SER 280 Cb 1.53 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 64.90 1xfx n SER 280 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1xfx n GLU 281 N -0.26 0.00 0.00 -1.46 -0.58 0.49 -4.19 120.64 114.64 1xfx n GLU 281 Ca 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.75 1xfx n GLU 281 Cb 0.05 -0.10 0.04 0.00 -0.57 0.00 0.00 31.44 30.85 1xfx n GLU 281 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1xfx n SER 282 N -2.69 0.00 -0.09 1.62 3.41 -0.98 0.16 113.62 115.04 1xfx n SER 282 Ca 0.00 0.45 -0.11 0.00 -0.26 0.00 0.00 58.87 58.96 1xfx n SER 282 Cb 0.09 -0.46 -0.12 0.00 -0.26 0.00 0.00 64.21 63.47 1xfx n SER 282 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xfx n LEU 283 N -1.46 1.20 -0.07 1.04 4.32 -0.61 -3.22 117.00 118.20 1xfx n LEU 283 Ca 0.00 -0.05 -0.12 0.00 -0.02 0.00 0.00 56.01 55.83 1xfx n LEU 283 Cb 0.02 -0.05 -0.05 0.00 -1.62 0.00 0.00 43.42 41.71 1xfx n LEU 283 CO 0.01 0.58 0.71 0.50 -1.22 0.00 0.00 177.39 177.98 1xfx h LYS 284 N 0.00 0.39 0.10 3.23 1.63 -0.59 0.66 116.57 121.98 1xfx h LYS 284 Ca -0.45 -0.15 -0.00 0.00 -0.85 0.00 0.00 60.65 59.19 1xfx h LYS 284 Cb 1.89 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 33.50 1xfx h LYS 284 CO -0.01 0.64 -0.05 1.57 -3.45 0.00 0.00 179.45 178.15 1xfx h LYS 285 N 0.11 -0.13 0.00 1.90 2.10 0.13 -0.12 116.57 120.57 1xfx h LYS 285 Ca 0.05 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 1xfx h LYS 285 Cb 0.49 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1xfx h LYS 285 CO 0.02 0.11 0.00 -1.91 -2.00 0.00 0.00 179.45 175.67 1xfx n GLU 286 N -5.04 0.43 -0.03 0.07 2.13 -1.19 -1.79 120.64 115.21 1xfx n GLU 286 Ca -0.08 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.60 1xfx n GLU 286 Cb 0.16 -1.35 -0.11 0.00 0.27 0.00 0.00 31.44 30.42 1xfx n GLU 286 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1xfx h GLY 287 N 2.28 0.13 0.07 8.31 0.00 0.11 -2.75 103.07 111.22 1xfx h GLY 287 Ca 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 1xfx h GLY 287 CO 0.00 0.17 -0.04 -0.39 0.00 0.00 0.00 176.54 176.28 1xfx h VAL 288 N -0.52 0.00 -1.54 4.60 -1.51 -1.32 -3.24 116.25 112.71 1xfx h VAL 288 Ca -0.01 -0.22 0.50 0.00 -1.23 0.00 0.00 66.70 65.74 1xfx h VAL 288 Cb 0.82 0.00 -0.12 0.00 -2.13 0.00 0.00 31.29 29.85 1xfx h VAL 288 CO 0.03 0.00 1.03 -0.33 -1.23 0.00 0.00 177.57 177.06 1xfx h GLU 289 N -0.32 0.01 0.00 5.19 5.08 -1.68 -2.58 114.58 120.28 1xfx h GLU 289 Ca -0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xfx h GLU 289 Cb 0.08 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1xfx h GLU 289 CO 0.02 0.01 0.00 1.17 -1.00 0.00 0.00 179.01 179.20 1xfx n LYS 290 N -4.52 0.00 -2.20 2.33 4.81 -1.04 -4.27 118.16 113.27 1xfx n LYS 290 Ca 0.41 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.45 1xfx n LYS 290 Cb 1.68 -0.55 -0.03 0.00 0.02 0.00 0.00 35.03 36.15 1xfx n LYS 290 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1xfx s ASP 291 N -1.85 5.63 0.00 3.14 3.68 -0.97 -4.87 116.67 121.43 1xfx s ASP 291 Ca 0.00 0.22 0.00 0.00 2.13 0.00 0.00 52.55 54.90 1xfx s ASP 291 Cb 0.00 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 38.93 1xfx s ASP 291 CO 0.00 -2.12 0.00 0.54 0.13 0.00 0.00 175.17 173.72 1xfx n ARG 292 N 9.10 0.40 -3.71 4.34 5.12 -1.24 -4.68 116.66 125.99 1xfx n ARG 292 Ca 0.16 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.69 1xfx n ARG 292 Cb 0.51 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.68 1xfx n ARG 292 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1xfx s ILE 293 N -0.89 4.14 -0.57 0.55 1.01 -1.26 -5.02 121.20 119.16 1xfx s ILE 293 Ca 0.00 -0.77 -0.26 0.00 0.00 0.00 0.00 60.65 59.62 1xfx s ILE 293 Cb 0.00 -3.20 -0.09 0.00 0.01 0.00 0.00 42.46 39.17 1xfx s ILE 293 CO 0.00 -0.03 2.43 -0.67 0.00 0.00 0.00 174.94 176.66 1xfx n ASP 294 N 4.90 2.13 -4.26 3.58 4.64 -1.26 -4.90 116.55 121.38 1xfx n ASP 294 Ca -0.13 -0.71 -0.23 0.00 -1.38 0.00 0.00 54.79 52.34 1xfx n ASP 294 Cb 0.47 -1.58 -0.12 0.00 -1.04 0.00 0.00 41.12 38.85 1xfx n ASP 294 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 1xfx s VAL 295 N 12.67 1.58 -0.40 5.18 -7.23 -1.26 -4.68 120.40 126.25 1xfx s VAL 295 Ca 0.98 -1.46 -0.19 0.00 -1.81 0.00 0.00 61.98 59.50 1xfx s VAL 295 Cb -0.20 -1.44 0.01 0.00 0.56 0.00 0.00 36.38 35.31 1xfx s VAL 295 CO 0.23 -0.08 0.53 -1.48 -0.31 0.00 0.00 175.10 173.99 1xfx s LEU 296 N -1.81 4.55 0.83 1.32 2.34 -1.19 -4.91 118.68 119.81 1xfx s LEU 296 Ca 0.05 -0.32 -0.07 0.00 0.06 0.00 0.00 54.13 53.84 1xfx s LEU 296 Cb -0.10 -2.56 0.17 0.00 -0.56 0.00 0.00 46.19 43.13 1xfx s LEU 296 CO 0.04 -0.60 1.14 -0.54 -1.06 0.00 0.00 176.35 175.33 1xfx s LYS 297 N 2.44 1.17 1.49 1.48 1.02 -1.26 -3.16 119.74 122.93 1xfx s LYS 297 Ca 0.18 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.29 1xfx s LYS 297 Cb -0.16 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 1xfx s LYS 297 CO 0.15 -1.90 0.00 0.41 -0.92 0.00 0.00 175.35 173.09 1xfx n GLY 298 N -3.24 -1.34 0.00 -3.33 0.00 -0.94 -3.58 105.19 92.75 1xfx n GLY 298 Ca 0.16 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1xfx n GLY 298 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xfx n GLU 299 N -1.90 0.00 0.23 1.61 2.13 -1.26 0.13 120.64 121.58 1xfx n GLU 299 Ca 0.00 0.37 0.10 0.00 0.66 0.00 0.00 57.16 58.29 1xfx n GLU 299 Cb 0.09 -1.57 0.55 0.00 0.27 0.00 0.00 31.44 30.78 1xfx n GLU 299 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1xfx h LYS 300 N 0.00 0.00 0.00 5.31 1.57 -1.89 -2.89 116.57 118.67 1xfx h LYS 300 Ca 0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 1xfx h LYS 300 Cb 0.13 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1xfx h LYS 300 CO 0.00 0.22 -1.48 0.00 -0.57 0.00 0.00 179.45 177.62 1xfx n ALA 301 N -2.29 0.85 0.13 3.86 0.00 0.36 -4.04 120.51 119.38 1xfx n ALA 301 Ca -0.01 -0.62 0.02 0.00 0.00 0.00 0.00 53.44 52.83 1xfx n ALA 301 Cb 0.36 -0.37 0.08 0.00 0.00 0.00 0.00 19.45 19.52 1xfx n ALA 301 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1xfx n LEU 302 N -4.41 0.08 -0.07 0.00 7.94 -0.93 -0.39 117.00 119.23 1xfx n LEU 302 Ca -0.35 0.29 -0.12 0.00 -1.11 0.00 0.00 56.01 54.72 1xfx n LEU 302 Cb 0.70 -0.14 -0.11 0.00 0.53 0.00 0.00 43.42 44.40 1xfx n LEU 302 CO 0.15 -0.31 0.27 0.11 -1.11 0.00 0.00 177.39 176.50 1xfx h LYS 303 N 0.00 0.00 0.00 1.96 1.79 -1.65 -3.34 116.57 115.33 1xfx h LYS 303 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1xfx h LYS 303 Cb 1.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 1xfx h LYS 303 CO 0.00 0.83 -0.09 0.00 -1.08 0.00 0.00 179.45 179.11 1xfx n ALA 304 N -2.69 2.38 -0.23 3.86 0.00 0.48 -3.65 120.51 120.66 1xfx n ALA 304 Ca -0.09 -0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.32 1xfx n ALA 304 Cb 0.41 -1.43 0.14 0.00 0.00 0.00 0.00 19.45 18.57 1xfx n ALA 304 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xfx h SER 305 N 0.00 -0.11 0.00 0.00 0.87 -1.12 -3.43 113.55 109.76 1xfx h SER 305 Ca 0.00 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1xfx h SER 305 Cb 0.74 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1xfx h SER 305 CO 0.00 -0.07 0.00 0.61 -0.53 0.00 0.00 176.83 176.84 1xfx n GLY 306 N -1.36 2.67 3.03 5.77 0.00 -1.24 -2.66 105.19 111.41 1xfx n GLY 306 Ca 0.12 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 1xfx n GLY 306 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xfx n LEU 307 N 0.00 -3.89 -4.68 0.99 4.32 -1.26 -4.65 117.00 107.82 1xfx n LEU 307 Ca 0.00 0.54 -0.41 0.00 -0.02 0.00 0.00 56.01 56.11 1xfx n LEU 307 Cb 0.00 -0.79 -0.04 0.00 -1.62 0.00 0.00 43.42 40.97 1xfx n LEU 307 CO 0.00 -4.76 0.62 -0.69 -1.22 0.00 0.00 177.39 171.34 1xfx s VAL 308 N -1.89 4.88 0.30 4.08 1.01 -1.26 -4.89 120.40 122.62 1xfx s VAL 308 Ca 0.51 1.69 0.01 0.00 0.00 0.00 0.00 61.98 64.19 1xfx s VAL 308 Cb -0.42 -4.16 0.38 0.00 0.00 0.00 0.00 36.38 32.18 1xfx s VAL 308 CO 0.66 0.05 1.59 -0.65 0.00 0.00 0.00 175.10 176.75 1xfx h PRO 309 N 7.21 0.05 -0.00 2.72 0.11 -1.89 0.40 132.00 140.60 1xfx h PRO 309 Ca -0.31 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1xfx h PRO 309 Cb 1.14 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1xfx h PRO 309 CO 0.83 0.03 0.00 0.93 -0.21 0.00 0.00 178.00 179.58 1xfx h GLU 310 N 0.05 0.00 0.00 1.05 5.08 -1.99 -1.31 114.58 117.46 1xfx h GLU 310 Ca 0.56 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.92 1xfx h GLU 310 Cb 1.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1xfx h GLU 310 CO -0.84 0.00 -0.01 0.45 -1.00 0.00 0.00 179.01 177.61 1xfx h HIS 311 N 0.00 0.00 -0.98 4.33 3.86 -0.67 -1.91 115.15 119.79 1xfx h HIS 311 Ca 0.00 0.00 0.29 0.00 -1.16 0.00 0.00 60.37 59.50 1xfx h HIS 311 Cb 0.00 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 28.29 1xfx h HIS 311 CO 0.00 0.01 0.12 0.00 0.86 0.00 0.00 177.93 178.92 1xfx h ALA 312 N -0.99 1.32 -0.12 2.45 0.00 -1.01 1.47 119.26 122.38 1xfx h ALA 312 Ca -0.00 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1xfx h ALA 312 Cb 0.02 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1xfx h ALA 312 CO -0.00 -0.62 0.03 -0.44 0.00 0.00 0.00 179.25 178.22 1xfx h ASP 313 N 0.02 0.17 -0.88 0.00 3.32 -1.34 -0.35 116.42 117.37 1xfx h ASP 313 Ca 0.63 -0.23 0.18 0.00 0.02 0.00 0.00 57.03 57.63 1xfx h ASP 313 Cb 1.37 -0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.76 1xfx h ASP 313 CO -0.88 0.36 0.44 0.00 -1.72 0.00 0.00 179.24 177.44 1xfx h ALA 314 N 0.82 1.37 -0.22 3.45 0.00 0.26 0.15 119.26 125.09 1xfx h ALA 314 Ca 0.04 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1xfx h ALA 314 Cb 0.25 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1xfx h ALA 314 CO 0.00 -0.17 0.12 0.74 0.00 0.00 0.00 179.25 179.93 1xfx h PHE 315 N 0.56 0.31 -1.21 0.00 0.05 0.31 -2.87 116.94 114.09 1xfx h PHE 315 Ca 0.51 -0.01 0.43 0.00 3.82 0.00 0.00 57.97 62.71 1xfx h PHE 315 Cb 0.82 -0.10 -0.13 0.00 2.00 0.00 0.00 35.95 38.54 1xfx h PHE 315 CO -0.10 0.29 0.76 1.17 -0.18 0.00 0.00 178.31 180.25 1xfx n LYS 316 N -4.86 -0.03 0.08 1.51 4.81 0.53 0.28 118.16 120.47 1xfx n LYS 316 Ca -0.03 1.14 -0.13 0.00 -0.87 0.00 0.00 58.31 58.42 1xfx n LYS 316 Cb 0.08 -2.23 -0.08 0.00 0.02 0.00 0.00 35.03 32.82 1xfx n LYS 316 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1xfx h LYS 317 N 0.00 -0.21 -0.18 1.64 3.64 -1.46 -3.09 116.57 116.91 1xfx h LYS 317 Ca 0.79 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 60.23 1xfx h LYS 317 Cb 2.50 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 34.32 1xfx h LYS 317 CO -0.45 0.14 -0.14 0.82 -2.27 0.00 0.00 179.45 177.55 1xfx h ILE 318 N -0.59 0.61 -0.77 2.00 5.03 -0.30 -0.84 117.51 122.66 1xfx h ILE 318 Ca -0.02 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.79 1xfx h ILE 318 Cb 0.44 0.61 -0.10 0.00 -3.03 0.00 0.00 36.82 34.74 1xfx h ILE 318 CO 0.04 0.00 -0.52 0.00 -0.68 0.00 0.00 178.15 176.99 1xfx h ALA 319 N 0.98 -0.54 0.23 1.87 0.00 -1.45 0.06 119.26 120.40 1xfx h ALA 319 Ca 0.11 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1xfx h ALA 319 Cb 0.30 1.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1xfx h ALA 319 CO -0.27 -0.88 -0.25 0.00 0.00 0.00 0.00 179.25 177.85 1xfx h ARG 320 N -0.08 -0.46 -0.77 0.00 3.08 -1.34 1.02 114.38 115.83 1xfx h ARG 320 Ca 0.12 0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.32 1xfx h ARG 320 Cb 0.40 0.10 -0.13 0.00 0.08 0.00 0.00 29.97 30.43 1xfx h ARG 320 CO -0.77 -0.31 -0.44 1.49 -1.07 0.00 0.00 179.97 178.88 1xfx h GLU 321 N -0.48 -0.12 0.00 0.04 4.81 -0.56 -1.20 114.58 117.07 1xfx h GLU 321 Ca -0.03 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1xfx h GLU 321 Cb 0.42 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1xfx h GLU 321 CO -0.04 -0.08 -0.25 -0.07 -0.73 0.00 0.00 179.01 177.84 1xfx h LEU 322 N -0.12 0.00 -2.52 1.64 3.38 -1.01 -3.49 115.31 113.19 1xfx h LEU 322 Ca 0.23 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1xfx h LEU 322 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1xfx h LEU 322 CO -0.81 0.01 -0.04 -3.20 0.09 0.00 0.00 178.44 174.49 1xfx n ASN 323 N -2.85 -6.36 -3.64 -0.43 4.05 0.35 -4.65 115.26 101.73 1xfx n ASN 323 Ca 0.03 -0.01 -0.09 0.00 0.45 0.00 0.00 54.58 54.96 1xfx n ASN 323 Cb 0.52 -4.24 -0.07 0.00 1.23 0.00 0.00 39.78 37.21 1xfx n ASN 323 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1xfx s THR 324 N -2.92 0.00 0.34 -0.44 -4.23 -1.06 -2.19 115.64 105.14 1xfx s THR 324 Ca 0.02 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.24 1xfx s THR 324 Cb -0.01 -1.00 -0.10 0.00 1.34 0.00 0.00 72.50 72.73 1xfx s THR 324 CO 0.56 0.00 1.33 -0.31 -0.54 0.00 0.00 174.62 175.67 1xfx s TYR 325 N 1.17 2.98 -0.18 3.99 1.51 -0.23 -4.41 117.35 122.18 1xfx s TYR 325 Ca -0.06 1.38 0.01 0.00 -1.01 0.00 0.00 57.07 57.39 1xfx s TYR 325 Cb -0.05 -3.73 0.02 0.00 -0.11 0.00 0.00 41.96 38.09 1xfx s TYR 325 CO -0.12 -2.02 -0.20 0.42 -1.11 0.00 0.00 175.55 172.52 1xfx s ILE 326 N -1.13 2.08 -0.02 2.71 1.01 -1.07 -0.90 121.20 123.88 1xfx s ILE 326 Ca 0.49 -0.96 0.06 0.00 0.00 0.00 0.00 60.65 60.24 1xfx s ILE 326 Cb -0.41 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 1xfx s ILE 326 CO 0.54 0.52 -0.18 -0.76 0.00 0.00 0.00 174.94 175.06 1xfx s LEU 327 N 1.29 2.52 0.15 2.97 1.02 -0.03 -1.09 118.68 125.50 1xfx s LEU 327 Ca 0.05 -0.32 0.08 0.00 0.02 0.00 0.00 54.13 53.96 1xfx s LEU 327 Cb -0.13 -1.49 -0.04 0.00 0.02 0.00 0.00 46.19 44.55 1xfx s LEU 327 CO -0.13 0.32 -0.18 -0.36 0.02 0.00 0.00 176.35 176.02 1xfx s PHE 328 N -0.74 1.73 0.72 0.29 0.40 0.17 0.75 117.98 121.30 1xfx s PHE 328 Ca 0.12 -0.48 -0.01 0.00 -0.60 0.00 0.00 56.93 55.96 1xfx s PHE 328 Cb -0.10 -0.89 0.12 0.00 0.51 0.00 0.00 43.02 42.66 1xfx s PHE 328 CO 0.01 0.27 0.99 1.03 0.70 0.00 0.00 175.22 178.22 1xfx s ARG 329 N -2.61 1.72 0.11 0.44 0.52 -0.63 -1.89 118.95 116.61 1xfx s ARG 329 Ca 0.13 -1.05 -0.31 0.00 -0.52 0.00 0.00 55.73 53.98 1xfx s ARG 329 Cb -0.06 -2.32 -0.10 0.00 0.52 0.00 0.00 34.95 32.99 1xfx s ARG 329 CO 0.05 -1.42 1.72 -2.14 0.02 0.00 0.00 175.30 173.54 1xfx s PRO 330 N -5.14 4.17 -0.34 3.54 0.02 -1.26 -4.79 135.00 131.19 1xfx s PRO 330 Ca 0.66 2.47 -0.13 0.00 0.02 0.00 0.00 61.00 64.01 1xfx s PRO 330 Cb -0.06 -3.51 -0.02 0.00 0.02 0.00 0.00 34.50 30.94 1xfx s PRO 330 CO 0.44 -0.77 0.26 0.08 -0.33 0.00 0.00 177.00 176.68 1xfx s VAL 331 N 2.41 5.27 0.09 3.83 1.01 -1.09 -4.96 120.40 126.97 1xfx s VAL 331 Ca 0.76 -0.18 -0.36 0.00 0.00 0.00 0.00 61.98 62.21 1xfx s VAL 331 Cb -0.44 -3.73 -0.18 0.00 0.00 0.00 0.00 36.38 32.03 1xfx s VAL 331 CO 0.34 -0.02 1.04 -3.20 0.00 0.00 0.00 175.10 173.26 1xfx n ASN 332 N 5.15 0.39 -0.14 3.32 2.85 -1.26 -4.08 115.26 121.49 1xfx n ASN 332 Ca -0.12 1.14 -0.04 0.00 -0.11 0.00 0.00 54.58 55.45 1xfx n ASN 332 Cb 0.50 -1.05 0.15 0.00 1.24 0.00 0.00 39.78 40.62 1xfx n ASN 332 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1xfx h LYS 333 N 2.99 0.87 -0.19 1.20 6.56 -1.94 -2.55 116.57 123.52 1xfx h LYS 333 Ca -0.45 -0.21 0.00 0.00 -1.06 0.00 0.00 60.65 58.94 1xfx h LYS 333 Cb 1.39 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.94 1xfx h LYS 333 CO 0.67 0.82 0.00 1.28 -2.06 0.00 0.00 179.45 180.15 1xfx n LEU 334 N -4.24 0.19 0.00 2.94 4.32 -1.26 -1.41 117.00 117.55 1xfx n LEU 334 Ca 0.03 -0.10 0.00 0.00 -0.02 0.00 0.00 56.01 55.93 1xfx n LEU 334 Cb 0.27 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 1xfx n LEU 334 CO 0.41 0.05 0.00 0.00 -1.22 0.00 0.00 177.39 176.63 1xfx n ALA 335 N -0.07 0.05 -0.23 -1.18 0.00 -0.97 -4.12 120.51 113.98 1xfx n ALA 335 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1xfx n ALA 335 Cb 0.05 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.55 1xfx n ALA 335 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1xfx h THR 336 N 0.02 0.25 0.18 0.00 2.02 -1.10 -0.92 112.91 113.37 1xfx h THR 336 Ca 0.00 0.00 -0.33 0.00 0.77 0.00 0.00 66.41 66.85 1xfx h THR 336 Cb 0.01 0.25 0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1xfx h THR 336 CO 0.00 0.00 -1.59 0.78 0.37 0.00 0.00 175.52 175.08 1xfx h ASN 337 N -0.05 0.61 -0.54 4.18 2.35 -1.90 -3.08 115.58 117.13 1xfx h ASN 337 Ca 0.30 -0.79 0.16 0.00 -0.55 0.00 0.00 56.30 55.42 1xfx h ASN 337 Cb 0.53 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 1xfx h ASN 337 CO -0.71 1.65 0.58 -0.07 -1.65 0.00 0.00 177.43 177.23 1xfx h LEU 338 N 0.11 0.00 0.06 1.61 3.38 -1.76 0.57 115.31 119.28 1xfx h LEU 338 Ca -0.28 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1xfx h LEU 338 Cb 2.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.84 1xfx h LEU 338 CO 0.20 0.00 -0.03 0.40 0.09 0.00 0.00 178.44 179.10 1xfx h ILE 339 N 0.00 0.00 -0.98 1.22 2.04 -1.16 0.61 117.51 119.25 1xfx h ILE 339 Ca 0.26 -0.10 0.31 0.00 1.00 0.00 0.00 64.86 66.32 1xfx h ILE 339 Cb 1.43 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.36 1xfx h ILE 339 CO -0.00 0.00 0.49 0.50 0.00 0.00 0.00 178.15 179.13 1xfx h LYS 340 N -0.18 0.27 -0.56 2.37 3.64 -0.90 0.83 116.57 122.04 1xfx h LYS 340 Ca -0.01 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.47 1xfx h LYS 340 Cb 0.06 -0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 31.71 1xfx h LYS 340 CO 0.01 0.18 -0.22 1.03 -2.27 0.00 0.00 179.45 178.18 1xfx h SER 341 N 0.28 -0.79 0.00 4.20 0.87 -0.03 -3.46 113.55 114.62 1xfx h SER 341 Ca 0.70 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 61.45 1xfx h SER 341 Cb 1.58 0.44 0.00 0.00 -0.44 0.00 0.00 62.40 63.98 1xfx h SER 341 CO -0.63 -0.25 0.00 0.61 -0.53 0.00 0.00 176.83 176.03 1xfx n GLY 342 N -1.42 -0.10 3.73 5.77 0.00 0.29 -4.92 105.19 108.54 1xfx n GLY 342 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1xfx n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xfx s VAL 343 N -0.54 3.83 0.91 1.61 1.01 0.19 -3.76 120.40 123.64 1xfx s VAL 343 Ca 0.00 1.53 -0.12 0.00 0.00 0.00 0.00 61.98 63.39 1xfx s VAL 343 Cb 0.00 -3.98 0.14 0.00 0.00 0.00 0.00 36.38 32.54 1xfx s VAL 343 CO 0.00 0.24 1.12 0.00 0.00 0.00 0.00 175.10 176.46 1xfx s ALA 344 N -0.01 1.68 0.10 5.51 0.00 -1.10 -4.58 121.76 123.36 1xfx s ALA 344 Ca 0.51 -0.41 0.05 0.00 0.00 0.00 0.00 51.96 52.12 1xfx s ALA 344 Cb -0.30 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1xfx s ALA 344 CO 0.35 -2.30 0.02 0.95 0.00 0.00 0.00 175.76 174.78 1xfx s THR 345 N -3.17 4.09 0.14 0.00 -4.23 -1.25 -1.89 115.64 109.33 1xfx s THR 345 Ca 0.63 -1.02 -0.31 0.00 -1.18 0.00 0.00 61.69 59.82 1xfx s THR 345 Cb -0.16 -2.98 -0.10 0.00 1.34 0.00 0.00 72.50 70.61 1xfx s THR 345 CO 0.55 0.08 1.67 -0.75 -0.54 0.00 0.00 174.62 175.62 1xfx s LYS 346 N -2.45 4.18 0.00 3.99 2.20 -0.04 -4.84 119.74 122.77 1xfx s LYS 346 Ca 0.27 2.45 0.00 0.00 -0.36 0.00 0.00 55.97 58.33 1xfx s LYS 346 Cb -0.11 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 1xfx s LYS 346 CO 0.19 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 174.88 1xfx n GLY 347 N 3.95 1.49 0.09 5.54 0.00 -1.26 -4.66 105.19 110.34 1xfx n GLY 347 Ca 0.15 -1.81 -0.04 0.00 0.00 0.00 0.00 46.02 44.32 1xfx n GLY 347 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xfx h LEU 348 N 0.00 0.00 -1.91 0.99 3.38 -1.93 -3.34 115.31 112.50 1xfx h LEU 348 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1xfx h LEU 348 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1xfx h LEU 348 CO 0.00 0.79 0.34 -0.55 0.09 0.00 0.00 178.44 179.11 1xfx h ASN 349 N 0.00 0.09 -3.32 -0.43 -0.00 -1.94 -3.41 115.58 106.57 1xfx h ASN 349 Ca -0.21 0.00 -0.66 0.00 -0.00 0.00 0.00 56.30 55.43 1xfx h ASN 349 Cb 1.79 -0.01 -0.17 0.00 -0.00 0.00 0.00 38.32 39.93 1xfx h ASN 349 CO 0.07 0.05 -0.63 -0.69 -0.00 0.00 0.00 177.43 176.23 1xfx s VAL 350 N -5.11 4.26 -0.14 6.14 1.01 -1.25 -4.67 120.40 120.64 1xfx s VAL 350 Ca -0.06 -0.25 0.15 0.00 0.00 0.00 0.00 61.98 61.82 1xfx s VAL 350 Cb 0.19 -2.83 0.35 0.00 0.00 0.00 0.00 36.38 34.09 1xfx s VAL 350 CO 0.73 0.56 1.17 1.41 0.00 0.00 0.00 175.10 178.97 1xfx n HIS 351 N 2.69 0.00 -1.82 5.22 8.25 -1.26 -4.76 115.22 123.53 1xfx n HIS 351 Ca -0.18 -1.07 -0.31 0.00 -0.26 0.00 0.00 57.72 55.91 1xfx n HIS 351 Cb 0.53 -0.19 0.03 0.00 1.12 0.00 0.00 29.99 31.48 1xfx n HIS 351 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1xfx s GLY 352 N -2.74 1.65 -0.02 -1.41 0.00 -1.26 -4.92 107.32 98.62 1xfx s GLY 352 Ca 0.32 -0.16 -0.17 0.00 0.00 0.00 0.00 44.72 44.72 1xfx s GLY 352 CO -0.05 0.16 0.46 0.54 0.00 0.00 0.00 173.10 174.20 1xfx s LYS 353 N -5.22 4.11 0.00 2.90 -0.14 -1.26 -5.03 119.74 115.10 1xfx s LYS 353 Ca 0.57 0.48 0.00 0.00 -1.36 0.00 0.00 55.97 55.66 1xfx s LYS 353 Cb -0.12 -3.29 0.00 0.00 -1.68 0.00 0.00 37.83 32.74 1xfx s LYS 353 CO 0.53 0.51 0.00 0.45 -0.76 0.00 0.00 175.35 176.08 1xfx n SER 354 N 2.40 -1.07 -3.94 2.83 2.88 -1.26 -4.35 113.62 111.11 1xfx n SER 354 Ca -0.11 -0.32 -0.09 0.00 -1.33 0.00 0.00 58.87 57.02 1xfx n SER 354 Cb 0.52 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.90 1xfx n SER 354 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1xfx s SER 355 N -1.63 0.15 -0.16 -3.46 0.15 -1.20 -2.79 113.70 104.76 1xfx s SER 355 Ca 0.00 -0.81 0.22 0.00 0.70 0.00 0.00 55.95 56.05 1xfx s SER 355 Cb 0.00 0.35 0.47 0.00 -1.71 0.00 0.00 66.02 65.13 1xfx s SER 355 CO 0.00 -0.77 1.15 -0.90 1.20 0.00 0.00 173.24 173.92 1xfx n ASP 356 N -0.10 1.66 -3.57 5.45 3.85 -1.26 -1.53 116.55 121.05 1xfx n ASP 356 Ca -0.11 -2.30 -0.09 0.00 -0.71 0.00 0.00 54.79 51.58 1xfx n ASP 356 Cb 0.63 -0.40 -0.04 0.00 -1.35 0.00 0.00 41.12 39.95 1xfx n ASP 356 CO 0.00 0.00 0.00 -1.66 -1.01 0.00 0.00 177.20 174.53 1xfx s TRP 357 N -2.31 -0.31 0.05 2.11 1.48 -1.26 -5.00 118.94 113.70 1xfx s TRP 357 Ca 0.33 0.44 0.00 0.00 -1.06 0.00 0.00 56.10 55.81 1xfx s TRP 357 Cb 0.36 0.48 0.00 0.00 -1.16 0.00 0.00 33.47 33.15 1xfx s TRP 357 CO -0.08 -0.34 0.00 0.41 -4.06 0.00 0.00 176.95 172.88 1xfx n GLY 358 N 0.44 -2.15 0.16 3.67 0.00 -1.24 -3.32 105.19 102.74 1xfx n GLY 358 Ca -0.08 -1.45 -0.07 0.00 0.00 0.00 0.00 46.02 44.42 1xfx n GLY 358 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xfx h PRO 359 N 0.00 0.34 -0.38 1.61 0.13 -1.92 -2.82 132.00 128.97 1xfx h PRO 359 Ca 0.00 -0.02 0.11 0.00 -0.87 0.00 0.00 66.00 65.22 1xfx h PRO 359 Cb 0.19 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.23 1xfx h PRO 359 CO 0.00 0.23 0.30 -0.24 -0.23 0.00 0.00 178.00 178.06 1xfx h VAL 360 N 0.35 0.67 -0.37 1.56 3.04 -1.93 -3.46 116.25 116.10 1xfx h VAL 360 Ca 0.15 0.00 -0.33 0.00 -1.01 0.00 0.00 66.70 65.51 1xfx h VAL 360 Cb 0.07 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 30.14 1xfx h VAL 360 CO -0.11 0.00 0.24 0.00 -1.01 0.00 0.00 177.57 176.69 1xfx n ALA 361 N -2.53 -0.58 -0.34 3.17 0.00 -1.07 -1.70 120.51 117.46 1xfx n ALA 361 Ca 0.06 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1xfx n ALA 361 Cb 0.48 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1xfx n ALA 361 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xfx n GLY 362 N 1.43 0.77 3.49 0.00 0.00 -0.58 -4.92 105.19 105.38 1xfx n GLY 362 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1xfx n GLY 362 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xfx s TYR 363 N -2.24 2.16 -0.96 1.61 1.51 -0.69 -4.47 117.35 114.27 1xfx s TYR 363 Ca 0.00 -0.66 -0.11 0.00 -1.01 0.00 0.00 57.07 55.30 1xfx s TYR 363 Cb 0.00 -1.29 0.25 0.00 -0.11 0.00 0.00 41.96 40.81 1xfx s TYR 363 CO 0.00 0.37 0.92 0.42 -1.11 0.00 0.00 175.55 176.16 1xfx s ILE 364 N -2.88 5.71 -0.14 2.71 -1.09 -1.20 -3.24 121.20 121.06 1xfx s ILE 364 Ca 0.32 -3.00 -0.38 0.00 -2.23 0.00 0.00 60.65 55.36 1xfx s ILE 364 Cb 0.04 -4.48 -0.15 0.00 -1.58 0.00 0.00 42.46 36.30 1xfx s ILE 364 CO 0.14 -1.10 1.69 -0.81 -1.23 0.00 0.00 174.94 173.63 1xfx n PRO 365 N 3.28 1.44 -0.08 2.79 -0.04 -1.26 -1.64 135.00 139.49 1xfx n PRO 365 Ca 0.19 0.52 0.16 0.00 -0.04 0.00 0.00 63.50 64.33 1xfx n PRO 365 Cb 0.43 -2.24 0.57 0.00 -0.04 0.00 0.00 33.50 32.21 1xfx n PRO 365 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1xfx h PHE 366 N 7.08 0.30 -3.44 0.54 3.57 -1.53 -3.31 116.94 120.16 1xfx h PHE 366 Ca -0.47 0.01 -0.61 0.00 3.53 0.00 0.00 57.97 60.43 1xfx h PHE 366 Cb 1.31 -0.10 -0.10 0.00 2.79 0.00 0.00 35.95 39.85 1xfx h PHE 366 CO 0.75 0.13 0.36 0.34 -2.23 0.00 0.00 178.31 177.66 1xfx s ASP 367 N -6.16 6.64 0.42 0.41 2.15 -1.26 -4.78 116.67 114.09 1xfx s ASP 367 Ca -0.07 0.65 0.26 0.00 0.43 0.00 0.00 52.55 53.82 1xfx s ASP 367 Cb 0.20 -2.39 0.69 0.00 -0.30 0.00 0.00 42.92 41.11 1xfx s ASP 367 CO 0.75 -0.58 1.73 1.56 -0.17 0.00 0.00 175.17 178.46 1xfx h GLN 368 N 8.09 0.00 0.00 4.34 1.08 -1.89 -2.91 115.11 123.83 1xfx h GLN 368 Ca -0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 1xfx h GLN 368 Cb 1.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 1xfx h GLN 368 CO 0.87 0.00 0.00 -3.47 -0.95 0.00 0.00 178.83 175.28 1xfx n ASP 369 N -2.91 0.00 -1.67 1.46 2.03 -1.26 -1.51 116.55 112.69 1xfx n ASP 369 Ca 0.03 0.23 0.09 0.00 0.52 0.00 0.00 54.79 55.66 1xfx n ASP 369 Cb 0.44 -0.35 0.37 0.00 -0.72 0.00 0.00 41.12 40.87 1xfx n ASP 369 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1xfx n LEU 370 N -1.35 5.01 -4.73 -2.67 4.77 -1.10 -4.51 117.00 112.42 1xfx n LEU 370 Ca 0.05 -2.55 -0.32 0.00 -0.03 0.00 0.00 56.01 53.16 1xfx n LEU 370 Cb 0.12 -0.61 -0.08 0.00 -2.33 0.00 0.00 43.42 40.52 1xfx n LEU 370 CO 0.10 0.78 -0.26 -0.94 -1.33 0.00 0.00 177.39 175.74 1xfx s SER 371 N -0.89 4.04 0.23 -1.43 1.04 -0.57 -4.79 113.70 111.34 1xfx s SER 371 Ca 0.53 -1.60 -0.13 0.00 0.48 0.00 0.00 55.95 55.22 1xfx s SER 371 Cb 0.35 0.36 0.30 0.00 0.10 0.00 0.00 66.02 67.13 1xfx s SER 371 CO 0.23 -0.78 1.44 2.29 0.98 0.00 0.00 173.24 177.40 1xfx n LYS 372 N -1.20 -0.17 -0.39 4.02 2.85 -1.12 -0.89 118.16 121.26 1xfx n LYS 372 Ca -0.16 1.43 -0.04 0.00 -1.05 0.00 0.00 58.31 58.49 1xfx n LYS 372 Cb 0.67 -2.13 -0.05 0.00 -0.65 0.00 0.00 35.03 32.87 1xfx n LYS 372 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1xfx n LYS 373 N -5.42 0.78 -2.43 -1.58 4.76 -1.26 -4.80 118.16 108.20 1xfx n LYS 373 Ca 0.12 -0.29 -0.43 0.00 -2.87 0.00 0.00 58.31 54.83 1xfx n LYS 373 Cb 0.41 -1.55 -0.02 0.00 -1.84 0.00 0.00 35.03 32.02 1xfx n LYS 373 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1xfx s HIS 374 N 1.64 2.52 0.00 2.13 5.65 -0.07 -2.85 115.29 124.31 1xfx s HIS 374 Ca 0.20 0.67 0.00 0.00 0.25 0.00 0.00 55.06 56.17 1xfx s HIS 374 Cb 0.09 -4.37 0.00 0.00 -1.18 0.00 0.00 32.58 27.13 1xfx s HIS 374 CO 0.00 -1.76 0.00 0.41 -0.65 0.00 0.00 174.74 172.74 1xfx n GLY 375 N 5.03 1.08 3.55 1.59 0.00 -1.26 -5.01 105.19 110.17 1xfx n GLY 375 Ca 0.15 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1xfx n GLY 375 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xfx n GLN 376 N 0.00 0.59 0.13 1.61 3.00 -1.13 -4.70 117.38 116.88 1xfx n GLN 376 Ca 0.00 -1.87 0.03 0.00 -0.01 0.00 0.00 57.00 55.15 1xfx n GLN 376 Cb 0.00 -3.70 0.15 0.00 0.00 0.00 0.00 30.24 26.69 1xfx n GLN 376 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1xfx n GLN 377 N 8.11 0.04 -0.04 -1.09 0.00 -1.26 -0.61 117.38 122.53 1xfx n GLN 377 Ca 0.43 0.44 -0.04 0.00 -0.00 0.00 0.00 57.00 57.83 1xfx n GLN 377 Cb 0.46 -2.10 -0.06 0.00 0.00 0.00 0.00 30.24 28.53 1xfx n GLN 377 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1xfx n LEU 378 N -1.74 0.20 -0.04 1.69 7.94 -1.26 -3.55 117.00 120.24 1xfx n LEU 378 Ca -0.00 -0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.76 1xfx n LEU 378 Cb 0.48 0.16 -0.09 0.00 0.53 0.00 0.00 43.42 44.50 1xfx n LEU 378 CO 0.02 0.23 0.54 0.00 -1.11 0.00 0.00 177.39 177.08 1xfx h ALA 379 N 0.37 0.14 0.00 1.96 0.00 -1.21 0.37 119.26 120.89 1xfx h ALA 379 Ca -0.22 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 1xfx h ALA 379 Cb 1.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1xfx h ALA 379 CO 0.01 0.06 -0.00 0.28 0.00 0.00 0.00 179.25 179.59 1xfx h VAL 380 N -0.19 1.08 -0.83 0.00 2.07 -1.17 2.98 116.25 120.19 1xfx h VAL 380 Ca 0.00 -0.25 0.20 0.00 0.82 0.00 0.00 66.70 67.48 1xfx h VAL 380 Cb 0.75 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 1xfx h VAL 380 CO 0.04 0.06 0.57 -0.08 0.02 0.00 0.00 177.57 178.18 1xfx h GLU 381 N -0.11 0.24 0.00 1.57 4.57 -1.59 0.34 114.58 119.60 1xfx h GLU 381 Ca -0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1xfx h GLU 381 Cb 0.11 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1xfx h GLU 381 CO 0.00 0.16 -1.56 1.17 -1.18 0.00 0.00 179.01 177.59 1xfx n LYS 382 N -4.42 0.50 0.01 1.92 4.81 0.11 -3.69 118.16 117.41 1xfx n LYS 382 Ca 0.17 -0.09 -0.13 0.00 -0.87 0.00 0.00 58.31 57.39 1xfx n LYS 382 Cb 0.73 -1.57 -0.09 0.00 0.02 0.00 0.00 35.03 34.11 1xfx n LYS 382 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1xfx h GLY 383 N 4.23 -0.09 0.70 3.14 0.00 0.90 -2.94 103.07 109.00 1xfx h GLY 383 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.40 1xfx h GLY 383 CO 0.00 -0.03 0.00 3.43 0.00 0.00 0.00 176.54 179.94 1xfx h ASN 384 N -0.64 -0.07 -0.20 0.19 2.35 -0.91 0.49 115.58 116.79 1xfx h ASN 384 Ca -0.01 0.04 0.06 0.00 -0.55 0.00 0.00 56.30 55.84 1xfx h ASN 384 Cb 0.54 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1xfx h ASN 384 CO 0.02 -0.01 0.78 0.25 -1.65 0.00 0.00 177.43 176.82 1xfx h LEU 385 N 0.07 0.00 0.00 1.61 7.12 -1.62 0.09 115.31 122.58 1xfx h LEU 385 Ca 0.09 0.00 -0.22 0.00 0.13 0.00 0.00 57.88 57.88 1xfx h LEU 385 Cb 0.11 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.20 1xfx h LEU 385 CO -0.16 0.00 -1.87 1.21 -0.13 0.00 0.00 178.44 177.49 1xfx n GLU 386 N -2.84 0.65 0.08 1.25 4.07 0.15 -3.60 120.64 120.40 1xfx n GLU 386 Ca 0.04 0.08 -0.19 0.00 -0.06 0.00 0.00 57.16 57.03 1xfx n GLU 386 Cb 0.86 -1.66 -0.10 0.00 -0.06 0.00 0.00 31.44 30.48 1xfx n GLU 386 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1xfx h ASN 387 N 0.00 0.73 0.59 4.31 -0.26 -0.88 -1.51 115.58 118.56 1xfx h ASN 387 Ca -0.28 -0.64 -0.02 0.00 -0.56 0.00 0.00 56.30 54.80 1xfx h ASN 387 Cb 1.76 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 38.78 1xfx h ASN 387 CO 0.04 1.45 -0.41 0.11 -1.06 0.00 0.00 177.43 177.57 1xfx h LYS 388 N 0.26 -0.92 -0.67 0.81 1.57 -1.64 -0.01 116.57 115.98 1xfx h LYS 388 Ca -0.14 0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1xfx h LYS 388 Cb 1.79 0.21 -0.06 0.00 0.08 0.00 0.00 32.23 34.25 1xfx h LYS 388 CO 0.21 -0.61 0.35 -0.22 -0.57 0.00 0.00 179.45 178.61 1xfx h LYS 389 N -0.95 0.62 -0.95 3.15 3.64 -1.64 1.33 116.57 121.76 1xfx h LYS 389 Ca -0.07 -0.04 0.25 0.00 -1.27 0.00 0.00 60.65 59.52 1xfx h LYS 389 Cb 0.79 -0.14 -0.13 0.00 -0.41 0.00 0.00 32.23 32.34 1xfx h LYS 389 CO 0.04 0.41 0.47 0.77 -2.27 0.00 0.00 179.45 178.87 1xfx h SER 390 N 0.64 0.44 0.00 4.20 0.02 -0.56 0.27 113.55 118.55 1xfx h SER 390 Ca 0.31 0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 61.32 1xfx h SER 390 Cb 0.25 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1xfx h SER 390 CO -0.21 -0.01 -0.55 0.40 -1.14 0.00 0.00 176.83 175.32 1xfx h ILE 391 N 0.42 1.27 -0.25 3.27 2.04 0.10 -2.86 117.51 121.50 1xfx h ILE 391 Ca 0.62 -2.16 0.02 0.00 1.00 0.00 0.00 64.86 64.35 1xfx h ILE 391 Cb 1.24 2.61 -0.03 0.00 -0.74 0.00 0.00 36.82 39.90 1xfx h ILE 391 CO -0.54 0.43 -0.17 0.74 0.00 0.00 0.00 178.15 178.61 1xfx h THR 392 N -1.00 0.00 -0.16 -0.27 2.02 0.23 -1.76 112.91 111.97 1xfx h THR 392 Ca -0.15 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.05 1xfx h THR 392 Cb 1.06 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1xfx h THR 392 CO -0.09 0.00 0.07 -0.33 0.37 0.00 0.00 175.52 175.54 1xfx h GLU 393 N -0.03 0.15 -1.90 6.66 5.08 -0.67 -3.30 114.58 120.56 1xfx h GLU 393 Ca 0.04 -0.01 -0.71 0.00 -1.00 0.00 0.00 59.36 57.68 1xfx h GLU 393 Cb 0.14 -0.03 -0.33 0.00 0.50 0.00 0.00 28.75 29.03 1xfx h GLU 393 CO -0.25 0.10 0.40 0.72 -1.00 0.00 0.00 179.01 178.97 1xfx n HIS 394 N -5.04 3.17 -1.35 4.33 8.25 -1.08 -5.05 115.22 118.45 1xfx n HIS 394 Ca -0.04 -2.71 -0.35 0.00 -0.26 0.00 0.00 57.72 54.37 1xfx n HIS 394 Cb 0.06 -0.80 0.10 0.00 1.12 0.00 0.00 29.99 30.47 1xfx n HIS 394 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1xfx n GLU 395 N -0.45 0.55 0.00 -0.41 -0.00 -0.68 -0.81 120.64 118.83 1xfx n GLU 395 Ca 0.47 0.25 0.00 0.00 -0.00 0.00 0.00 57.16 57.88 1xfx n GLU 395 Cb 0.38 -2.43 0.00 0.00 -0.00 0.00 0.00 31.44 29.39 1xfx n GLU 395 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xfx n GLY 396 N 0.77 2.59 0.01 -1.84 0.00 -1.26 -4.57 105.19 100.89 1xfx n GLY 396 Ca 0.14 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.12 1xfx n GLY 396 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xfx n GLU 397 N 0.00 1.26 -4.00 1.61 4.71 -1.03 -4.59 120.64 118.60 1xfx n GLU 397 Ca 0.00 -0.03 -0.21 0.00 -0.01 0.00 0.00 57.16 56.91 1xfx n GLU 397 Cb 0.00 -1.12 -0.17 0.00 -1.01 0.00 0.00 31.44 29.15 1xfx n GLU 397 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1xfx s ILE 398 N -2.26 0.51 0.00 -3.67 -1.09 0.01 0.18 121.20 114.88 1xfx s ILE 398 Ca -0.02 -0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.35 1xfx s ILE 398 Cb 0.02 -0.59 0.00 0.00 -1.58 0.00 0.00 42.46 40.32 1xfx s ILE 398 CO 0.20 0.25 0.00 0.61 -1.23 0.00 0.00 174.94 174.76 1xfx n GLY 399 N 4.50 1.74 3.39 6.18 0.00 -0.53 -4.38 105.19 116.09 1xfx n GLY 399 Ca -0.18 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 44.79 1xfx n GLY 399 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xfx s LYS 400 N -0.15 1.40 0.10 1.61 0.00 -1.26 0.36 119.74 121.79 1xfx s LYS 400 Ca 0.00 -1.39 -0.07 0.00 0.00 0.00 0.00 55.97 54.51 1xfx s LYS 400 Cb 0.00 -1.80 -0.01 0.00 0.00 0.00 0.00 37.83 36.02 1xfx s LYS 400 CO 0.00 0.41 0.17 0.96 0.00 0.00 0.00 175.35 176.89 1xfx s ILE 401 N -1.31 0.14 0.22 3.79 -4.36 -0.77 -4.93 121.20 113.99 1xfx s ILE 401 Ca 0.15 -1.33 -0.30 0.00 -0.26 0.00 0.00 60.65 58.92 1xfx s ILE 401 Cb -0.09 -1.47 -0.09 0.00 1.25 0.00 0.00 42.46 42.05 1xfx s ILE 401 CO 0.07 -0.63 1.34 -2.84 0.24 0.00 0.00 174.94 173.12 1xfx s PRO 402 N -3.89 4.36 -0.26 0.37 0.02 -1.26 -0.48 135.00 133.85 1xfx s PRO 402 Ca 0.08 2.13 -0.29 0.00 0.02 0.00 0.00 61.00 62.94 1xfx s PRO 402 Cb 0.05 -3.16 -0.03 0.00 0.02 0.00 0.00 34.50 31.38 1xfx s PRO 402 CO -0.09 -0.28 1.85 -1.17 -0.33 0.00 0.00 177.00 176.98 1xfx s LEU 403 N -0.35 3.64 -0.70 -5.54 2.96 0.22 -4.87 118.68 114.05 1xfx s LEU 403 Ca 0.56 1.58 0.04 0.00 -0.22 0.00 0.00 54.13 56.09 1xfx s LEU 403 Cb -0.38 -3.52 0.27 0.00 0.50 0.00 0.00 46.19 43.06 1xfx s LEU 403 CO 0.41 -1.61 0.90 0.29 -1.32 0.00 0.00 176.35 175.01 1xfx n LYS 404 N 8.26 2.96 -1.55 1.98 5.02 -1.26 -1.90 118.16 131.67 1xfx n LYS 404 Ca 0.23 -4.69 -0.48 0.00 -2.02 0.00 0.00 58.31 51.35 1xfx n LYS 404 Cb 0.46 -2.29 -0.04 0.00 -0.02 0.00 0.00 35.03 33.14 1xfx n LYS 404 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1xfx n LEU 405 N 0.73 1.11 0.00 -0.35 4.32 -1.25 -4.89 117.00 116.67 1xfx n LEU 405 Ca 0.30 1.15 0.00 0.00 -0.02 0.00 0.00 56.01 57.44 1xfx n LEU 405 Cb 0.39 -1.18 0.00 0.00 -1.62 0.00 0.00 43.42 41.02 1xfx n LEU 405 CO 0.44 -1.60 0.00 -0.90 -1.22 0.00 0.00 177.39 174.12 1xfx n ASP 406 N 1.79 0.00 0.00 -1.43 5.75 -1.26 -4.67 116.55 116.73 1xfx n ASP 406 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.92 1xfx n ASP 406 Cb 0.25 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 1xfx n ASP 406 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1xfx n HIS 407 N 0.00 0.00 -0.33 2.11 8.25 -1.26 -3.94 115.22 120.05 1xfx n HIS 407 Ca 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.63 1xfx n HIS 407 Cb 0.00 -0.22 0.40 0.00 1.12 0.00 0.00 29.99 31.29 1xfx n HIS 407 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1xfx h LEU 408 N 0.00 0.64 -0.52 2.41 4.07 -2.00 -1.94 115.31 117.98 1xfx h LEU 408 Ca 0.00 0.09 0.10 0.00 0.08 0.00 0.00 57.88 58.15 1xfx h LEU 408 Cb 0.00 -0.02 -0.08 0.00 1.08 0.00 0.00 40.66 41.64 1xfx h LEU 408 CO 0.00 0.20 0.05 -0.09 -1.08 0.00 0.00 178.44 177.52 1xfx h ARG 409 N 0.61 0.17 0.42 1.13 9.65 -1.97 -0.60 114.38 123.78 1xfx h ARG 409 Ca 0.57 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.44 1xfx h ARG 409 Cb 1.11 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.64 1xfx h ARG 409 CO -0.34 0.11 -0.37 0.82 2.80 0.00 0.00 179.97 182.99 1xfx h ILE 410 N 0.17 0.24 -0.01 1.20 1.08 -1.47 0.17 117.51 118.90 1xfx h ILE 410 Ca 0.26 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.74 1xfx h ILE 410 Cb 0.39 0.24 -0.00 0.00 -3.07 0.00 0.00 36.82 34.37 1xfx h ILE 410 CO -0.39 0.00 0.06 -0.33 -0.69 0.00 0.00 178.15 176.80 1xfx h GLU 411 N -0.80 0.00 0.02 2.37 5.08 -1.52 -1.94 114.58 117.79 1xfx h GLU 411 Ca -0.04 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1xfx h GLU 411 Cb 0.70 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1xfx h GLU 411 CO -0.04 0.00 -0.20 1.49 -1.00 0.00 0.00 179.01 179.26 1xfx h GLU 412 N 0.00 0.04 0.00 2.33 4.81 0.20 -3.04 114.58 118.92 1xfx h GLU 412 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1xfx h GLU 412 Cb 0.12 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1xfx h GLU 412 CO -0.00 1.03 0.00 1.28 -0.73 0.00 0.00 179.01 180.59 1xfx n LEU 413 N -4.53 0.00 0.00 1.64 4.77 0.48 -2.48 117.00 116.87 1xfx n LEU 413 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1xfx n LEU 413 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1xfx n LEU 413 CO 0.35 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.58 1xfx n LYS 414 N -0.75 0.00 0.00 3.23 0.00 -0.79 -0.80 118.16 119.06 1xfx n LYS 414 Ca 0.07 0.22 0.05 0.00 0.00 0.00 0.00 58.31 58.65 1xfx n LYS 414 Cb 0.03 -0.72 0.27 0.00 0.00 0.00 0.00 35.03 34.62 1xfx n LYS 414 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1xfx n GLU 415 N -2.27 0.29 -0.14 1.64 0.00 -1.15 0.95 120.64 119.97 1xfx n GLU 415 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.24 1xfx n GLU 415 Cb 0.00 -1.49 0.15 0.00 0.00 0.00 0.00 31.44 30.10 1xfx n GLU 415 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1xfx n ASN 416 N -0.99 2.88 -3.94 -1.84 2.85 -1.04 -5.01 115.26 108.17 1xfx n ASN 416 Ca 0.07 -1.85 -0.34 0.00 -0.11 0.00 0.00 54.58 52.34 1xfx n ASN 416 Cb 0.03 -0.18 0.00 0.00 1.24 0.00 0.00 39.78 40.87 1xfx n ASN 416 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xfx n GLY 417 N 0.92 -0.64 0.05 8.20 0.00 0.27 -4.88 105.19 109.10 1xfx n GLY 417 Ca 0.13 0.31 -0.06 0.00 0.00 0.00 0.00 46.02 46.40 1xfx n GLY 417 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xfx n ILE 418 N -4.55 0.61 -4.12 -0.61 2.08 0.02 -5.03 119.36 107.76 1xfx n ILE 418 Ca -0.18 -0.28 -0.12 0.00 0.56 0.00 0.00 62.75 62.72 1xfx n ILE 418 Cb 0.62 -0.85 -0.11 0.00 -0.75 0.00 0.00 39.64 38.56 1xfx n ILE 418 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 1xfx s ILE 419 N -2.21 0.68 -0.22 1.39 -4.36 -0.65 -3.63 121.20 112.19 1xfx s ILE 419 Ca -0.11 -1.50 -0.00 0.00 -0.26 0.00 0.00 60.65 58.78 1xfx s ILE 419 Cb 0.03 -1.15 0.06 0.00 1.25 0.00 0.00 42.46 42.65 1xfx s ILE 419 CO 0.29 -0.60 -0.04 -0.22 0.24 0.00 0.00 174.94 174.61 1xfx s LEU 420 N -2.28 2.24 -0.26 0.37 1.98 -0.65 -4.39 118.68 115.70 1xfx s LEU 420 Ca 0.01 -1.07 -0.24 0.00 -2.89 0.00 0.00 54.13 49.94 1xfx s LEU 420 Cb -0.03 -1.05 -0.01 0.00 0.66 0.00 0.00 46.19 45.76 1xfx s LEU 420 CO -0.02 -0.24 0.80 -0.75 -1.89 0.00 0.00 176.35 174.25 1xfx s LYS 421 N 1.50 4.13 0.00 1.98 2.20 -1.26 -1.37 119.74 126.91 1xfx s LYS 421 Ca -0.04 0.82 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 1xfx s LYS 421 Cb -0.18 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 1xfx s LYS 421 CO -0.07 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 174.79 1xfx n GLY 422 N 3.90 4.78 2.91 5.54 0.00 -1.16 -5.03 105.19 116.13 1xfx n GLY 422 Ca 0.04 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 1xfx n GLY 422 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xfx n LYS 423 N 0.00 0.00 -2.24 1.61 4.81 -1.26 -4.43 118.16 116.65 1xfx n LYS 423 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1xfx n LYS 423 Cb 0.00 -0.88 0.01 0.00 0.02 0.00 0.00 35.03 34.18 1xfx n LYS 423 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1xfx n LYS 424 N 1.17 0.98 -3.67 1.64 5.02 -1.26 -1.08 118.16 120.95 1xfx n LYS 424 Ca 0.10 -1.49 -0.01 0.00 -2.02 0.00 0.00 58.31 54.89 1xfx n LYS 424 Cb 0.35 0.04 -0.01 0.00 -0.02 0.00 0.00 35.03 35.38 1xfx n LYS 424 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1xfx s GLU 425 N -3.10 0.72 0.00 1.97 2.56 -0.23 -4.74 118.70 115.87 1xfx s GLU 425 Ca 0.20 -0.39 0.07 0.00 0.00 0.00 0.00 54.97 54.85 1xfx s GLU 425 Cb -0.02 0.25 -0.02 0.00 2.00 0.00 0.00 34.13 36.34 1xfx s GLU 425 CO 0.13 -0.33 -0.21 0.42 -0.56 0.00 0.00 175.26 174.72 1xfx s ILE 426 N -2.78 1.63 -0.27 -3.70 -1.09 -1.26 -2.06 121.20 111.67 1xfx s ILE 426 Ca 0.13 -0.97 -0.17 0.00 -2.23 0.00 0.00 60.65 57.41 1xfx s ILE 426 Cb 0.02 -1.37 0.08 0.00 -1.58 0.00 0.00 42.46 39.61 1xfx s ILE 426 CO -0.02 0.38 0.67 -0.62 -1.23 0.00 0.00 174.94 174.12 1xfx s ASP 427 N -0.70 -0.88 -0.89 3.58 3.68 -0.71 -4.92 116.67 115.84 1xfx s ASP 427 Ca 0.08 1.46 0.00 0.00 2.13 0.00 0.00 52.55 56.21 1xfx s ASP 427 Cb -0.08 1.35 0.00 0.00 -1.45 0.00 0.00 42.92 42.74 1xfx s ASP 427 CO 0.00 -0.24 0.00 0.59 0.13 0.00 0.00 175.17 175.65 1xfx n ASN 428 N 4.02 -2.52 0.00 -0.34 3.02 -1.26 0.79 115.26 118.97 1xfx n ASN 428 Ca -0.19 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1xfx n ASN 428 Cb 0.58 -2.42 0.00 0.00 -0.61 0.00 0.00 39.78 37.33 1xfx n ASN 428 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xfx n GLY 429 N -0.31 0.75 3.46 7.41 0.00 -1.26 -5.06 105.19 110.19 1xfx n GLY 429 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1xfx n GLY 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xfx s LYS 430 N -0.54 1.89 0.17 1.61 1.02 0.24 -5.12 119.74 119.00 1xfx s LYS 430 Ca 0.00 -1.09 -0.22 0.00 0.02 0.00 0.00 55.97 54.68 1xfx s LYS 430 Cb 0.00 -2.13 -0.08 0.00 -0.52 0.00 0.00 37.83 35.10 1xfx s LYS 430 CO 0.00 0.51 0.72 0.15 -0.92 0.00 0.00 175.35 175.80 1xfx s LYS 431 N -1.76 4.38 -0.09 1.68 1.02 -1.26 -1.73 119.74 121.98 1xfx s LYS 431 Ca 0.16 0.97 -0.02 0.00 0.02 0.00 0.00 55.97 57.09 1xfx s LYS 431 Cb -0.10 -3.11 0.04 0.00 -0.52 0.00 0.00 37.83 34.13 1xfx s LYS 431 CO 0.07 0.52 0.04 0.71 -0.92 0.00 0.00 175.35 175.77 1xfx s TYR 432 N -1.29 0.41 -0.50 3.18 4.12 -0.87 -2.31 117.35 120.08 1xfx s TYR 432 Ca 0.37 -0.10 -0.22 0.00 0.02 0.00 0.00 57.07 57.13 1xfx s TYR 432 Cb -0.20 -0.69 0.04 0.00 -1.52 0.00 0.00 41.96 39.59 1xfx s TYR 432 CO 0.23 -0.34 0.80 0.71 0.02 0.00 0.00 175.55 176.98 1xfx s TYR 433 N 2.06 2.93 0.04 2.71 1.51 -1.01 -1.07 117.35 124.53 1xfx s TYR 433 Ca 0.04 -0.07 -0.36 0.00 -1.01 0.00 0.00 57.07 55.66 1xfx s TYR 433 Cb -0.13 -3.78 -0.16 0.00 -0.11 0.00 0.00 41.96 37.78 1xfx s TYR 433 CO -0.05 -1.13 1.48 -0.11 -1.11 0.00 0.00 175.55 174.62 1xfx n LEU 434 N 6.87 2.16 -4.20 -1.29 -0.00 -0.24 -3.16 117.00 117.13 1xfx n LEU 434 Ca -0.00 1.10 -0.40 0.00 -0.00 0.00 0.00 56.01 56.70 1xfx n LEU 434 Cb 0.47 -1.24 -0.09 0.00 -0.00 0.00 0.00 43.42 42.56 1xfx n LEU 434 CO 0.59 -0.74 -0.04 -0.76 -0.00 0.00 0.00 177.39 176.44 1xfx s LEU 435 N 1.20 5.63 0.53 -1.96 1.43 0.17 -2.97 118.68 122.70 1xfx s LEU 435 Ca 0.86 -1.92 -0.18 0.00 -1.03 0.00 0.00 54.13 51.86 1xfx s LEU 435 Cb -0.90 -1.99 -0.07 0.00 0.03 0.00 0.00 46.19 43.27 1xfx s LEU 435 CO 0.48 -0.67 1.03 -0.70 0.23 0.00 0.00 176.35 176.72 1xfx s GLU 436 N 1.33 3.68 -0.29 1.70 2.56 -0.47 -3.60 118.70 123.61 1xfx s GLU 436 Ca 0.06 1.21 -0.12 0.00 0.00 0.00 0.00 54.97 56.12 1xfx s GLU 436 Cb -0.26 -2.09 0.11 0.00 2.00 0.00 0.00 34.13 33.90 1xfx s GLU 436 CO -0.01 -0.51 0.67 0.45 -0.56 0.00 0.00 175.26 175.30 1xfx s SER 437 N -2.49 -1.07 0.00 -1.70 0.15 -1.26 -1.63 113.70 105.69 1xfx s SER 437 Ca 0.64 1.55 0.00 0.00 0.70 0.00 0.00 55.95 58.84 1xfx s SER 437 Cb -0.14 1.95 0.00 0.00 -1.71 0.00 0.00 66.02 66.12 1xfx s SER 437 CO 0.28 -0.23 0.00 -3.20 1.20 0.00 0.00 173.24 171.29 1xfx n ASN 438 N 5.01 0.00 -4.67 5.45 4.05 -1.26 -4.71 115.26 119.14 1xfx n ASN 438 Ca -0.15 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.58 1xfx n ASN 438 Cb 0.53 0.00 0.16 0.00 1.23 0.00 0.00 39.78 41.70 1xfx n ASN 438 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1xfx s ASN 439 N -1.20 2.95 -0.17 1.20 3.84 -1.26 -4.98 114.94 115.32 1xfx s ASN 439 Ca 0.00 1.76 0.14 0.00 0.21 0.00 0.00 52.86 54.96 1xfx s ASN 439 Cb 0.00 -2.37 0.40 0.00 -0.55 0.00 0.00 41.25 38.73 1xfx s ASN 439 CO 0.00 -3.01 1.20 0.00 -2.79 0.00 0.00 177.10 172.50 1xfx n GLN 440 N -4.15 1.31 0.00 0.43 10.64 -1.26 -4.75 117.38 119.61 1xfx n GLN 440 Ca 0.08 -3.00 0.00 0.00 -1.83 0.00 0.00 57.00 52.25 1xfx n GLN 440 Cb 0.54 -1.37 0.00 0.00 -0.86 0.00 0.00 30.24 28.54 1xfx n GLN 440 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1xfx n VAL 441 N -0.93 0.00 -5.15 -0.39 0.31 -1.26 -4.95 118.33 105.97 1xfx n VAL 441 Ca 0.17 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.20 1xfx n VAL 441 Cb 0.74 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.51 1xfx n VAL 441 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1xfx s TYR 442 N -0.38 2.15 0.12 3.52 4.12 -1.26 -1.40 117.35 124.21 1xfx s TYR 442 Ca 0.00 -0.52 0.07 0.00 0.02 0.00 0.00 57.07 56.64 1xfx s TYR 442 Cb 0.00 -1.40 -0.04 0.00 -1.52 0.00 0.00 41.96 39.00 1xfx s TYR 442 CO 0.00 -0.12 -0.08 -1.21 0.02 0.00 0.00 175.55 174.16 1xfx s GLU 443 N -0.33 2.18 0.05 -0.62 2.02 -1.03 -4.75 118.70 116.22 1xfx s GLU 443 Ca 0.03 -1.04 0.03 0.00 0.02 0.00 0.00 54.97 54.01 1xfx s GLU 443 Cb -0.11 -2.32 -0.03 0.00 0.10 0.00 0.00 34.13 31.78 1xfx s GLU 443 CO 0.01 0.50 -0.09 -0.06 0.02 0.00 0.00 175.26 175.64 1xfx s PHE 444 N -1.32 0.79 -0.10 1.61 0.40 -1.24 -2.75 117.98 115.38 1xfx s PHE 444 Ca 0.23 -0.49 -0.14 0.00 -0.60 0.00 0.00 56.93 55.93 1xfx s PHE 444 Cb -0.11 -0.46 0.03 0.00 0.51 0.00 0.00 43.02 42.99 1xfx s PHE 444 CO 0.15 -0.05 0.35 -0.98 0.70 0.00 0.00 175.22 175.39 1xfx s ARG 445 N -1.60 0.51 -0.06 0.44 1.70 -0.61 -0.65 118.95 118.68 1xfx s ARG 445 Ca -0.08 0.29 0.03 0.00 -0.47 0.00 0.00 55.73 55.50 1xfx s ARG 445 Cb -0.10 0.24 -0.03 0.00 -0.57 0.00 0.00 34.95 34.49 1xfx s ARG 445 CO 0.01 -0.10 -0.14 -1.50 -1.08 0.00 0.00 175.30 172.50 1xfx s ILE 446 N -0.29 3.12 1.23 4.99 2.07 -1.19 -0.37 121.20 130.76 1xfx s ILE 446 Ca -0.04 -0.70 -0.17 0.00 -1.41 0.00 0.00 60.65 58.33 1xfx s ILE 446 Cb -0.03 -2.23 0.30 0.00 0.13 0.00 0.00 42.46 40.62 1xfx s ILE 446 CO 0.02 0.59 1.02 -0.55 -1.91 0.00 0.00 174.94 174.10 1xfx s SER 447 N -0.65 0.53 -0.12 4.50 0.15 -0.20 -2.39 113.70 115.52 1xfx s SER 447 Ca 0.10 1.11 -0.04 0.00 0.70 0.00 0.00 55.95 57.81 1xfx s SER 447 Cb -0.11 -1.68 -0.06 0.00 -1.71 0.00 0.00 66.02 62.46 1xfx s SER 447 CO 0.01 -4.42 -0.15 -0.67 1.20 0.00 0.00 173.24 169.21 1xfx n ASP 448 N -5.02 1.44 0.01 5.45 -0.08 -0.98 -4.51 116.55 112.87 1xfx n ASP 448 Ca 0.07 0.10 -0.09 0.00 -1.51 0.00 0.00 54.79 53.36 1xfx n ASP 448 Cb 0.57 -0.32 -0.06 0.00 2.34 0.00 0.00 41.12 43.65 1xfx n ASP 448 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1xfx h GLU 449 N -0.33 -0.36 -6.50 -0.67 4.81 -1.96 -3.42 114.58 106.16 1xfx h GLU 449 Ca -0.30 0.02 -0.64 0.00 -0.13 0.00 0.00 59.36 58.32 1xfx h GLU 449 Cb 1.31 0.08 -0.18 0.00 0.63 0.00 0.00 28.75 30.59 1xfx h GLU 449 CO -0.15 -0.24 -0.81 0.54 -0.73 0.00 0.00 179.01 177.62 1xfx s ASN 450 N -3.86 3.36 -0.04 1.04 4.22 -1.26 -5.04 114.94 113.36 1xfx s ASN 450 Ca -0.09 -0.88 0.02 0.00 -2.14 0.00 0.00 52.86 49.76 1xfx s ASN 450 Cb 0.04 -0.25 0.12 0.00 1.28 0.00 0.00 41.25 42.44 1xfx s ASN 450 CO 0.36 0.10 0.74 0.59 -2.04 0.00 0.00 177.10 176.84 1xfx n ASN 451 N 0.18 1.87 -4.16 3.54 4.13 -1.26 -4.11 115.26 115.45 1xfx n ASN 451 Ca -0.12 -2.15 -0.35 0.00 1.68 0.00 0.00 54.58 53.64 1xfx n ASN 451 Cb 0.56 -0.53 0.08 0.00 -1.54 0.00 0.00 39.78 38.35 1xfx n ASN 451 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1xfx n GLU 452 N 0.11 -0.20 -4.41 3.52 1.02 -1.26 -3.95 120.64 115.47 1xfx n GLU 452 Ca 0.05 -0.04 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 1xfx n GLU 452 Cb 0.42 -1.34 -0.14 0.00 -0.02 0.00 0.00 31.44 30.36 1xfx n GLU 452 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xfx s VAL 453 N -2.15 1.08 0.22 2.62 1.01 -0.80 -1.04 120.40 121.34 1xfx s VAL 453 Ca 0.46 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1xfx s VAL 453 Cb -0.16 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 1xfx s VAL 453 CO 0.75 0.08 0.03 -1.10 0.00 0.00 0.00 175.10 174.86 1xfx s GLN 454 N -0.91 1.27 0.24 2.72 -0.21 0.50 0.13 119.66 123.41 1xfx s GLN 454 Ca 0.02 -1.65 -0.19 0.00 0.02 0.00 0.00 55.36 53.57 1xfx s GLN 454 Cb -0.07 -0.39 0.02 0.00 1.00 0.00 0.00 33.01 33.57 1xfx s GLN 454 CO 0.01 -0.16 0.62 1.52 -2.12 0.00 0.00 175.29 175.15 1xfx s TYR 455 N -3.60 -0.10 0.27 0.91 -0.00 0.17 -1.57 117.35 113.43 1xfx s TYR 455 Ca 0.29 -0.29 -0.19 0.00 -0.00 0.00 0.00 57.07 56.88 1xfx s TYR 455 Cb 0.06 0.52 0.02 0.00 -0.00 0.00 0.00 41.96 42.56 1xfx s TYR 455 CO 0.08 -1.08 0.66 -1.59 -0.00 0.00 0.00 175.55 173.63 1xfx s LYS 456 N -3.91 1.71 -0.23 -3.49 -2.85 -1.11 -0.99 119.74 108.86 1xfx s LYS 456 Ca 0.12 -1.01 -0.22 0.00 -1.00 0.00 0.00 55.97 53.86 1xfx s LYS 456 Cb -0.03 0.58 -0.02 0.00 -2.06 0.00 0.00 37.83 36.30 1xfx s LYS 456 CO 0.03 -0.77 0.69 0.95 0.10 0.00 0.00 175.35 176.36 1xfx s THR 457 N -3.93 4.95 0.42 3.79 -4.23 -0.28 -2.47 115.64 113.89 1xfx s THR 457 Ca 0.13 1.29 -0.22 0.00 -1.18 0.00 0.00 61.69 61.70 1xfx s THR 457 Cb -0.05 -4.00 -0.13 0.00 1.34 0.00 0.00 72.50 69.66 1xfx s THR 457 CO 0.06 0.02 0.41 0.29 -0.54 0.00 0.00 174.62 174.87 1xfx n LYS 458 N 5.62 0.39 0.00 3.99 5.02 -0.49 -4.72 118.16 127.96 1xfx n LYS 458 Ca 0.01 0.14 0.01 0.00 -2.02 0.00 0.00 58.31 56.46 1xfx n LYS 458 Cb 0.49 -1.36 0.06 0.00 -0.02 0.00 0.00 35.03 34.19 1xfx n LYS 458 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xfx n GLU 459 N 0.79 0.02 -0.90 1.97 1.02 -1.26 -2.01 120.64 120.27 1xfx n GLU 459 Ca 0.12 0.31 0.04 0.00 -0.02 0.00 0.00 57.16 57.61 1xfx n GLU 459 Cb 0.40 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.47 1xfx n GLU 459 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xfx n GLY 460 N -1.13 4.07 0.00 0.62 0.00 -1.26 -5.07 105.19 102.42 1xfx n GLY 460 Ca 0.01 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1xfx n GLY 460 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xfx n LYS 461 N -0.68 0.00 -3.72 1.61 3.00 -0.85 -5.11 118.16 112.41 1xfx n LYS 461 Ca 0.16 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.38 1xfx n LYS 461 Cb 0.82 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.82 1xfx n LYS 461 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1xfx s ILE 462 N -2.49 0.02 0.13 3.15 2.07 -1.26 -4.79 121.20 118.02 1xfx s ILE 462 Ca 0.00 -0.71 -0.25 0.00 -1.41 0.00 0.00 60.65 58.28 1xfx s ILE 462 Cb 0.00 -1.58 -0.07 0.00 0.13 0.00 0.00 42.46 40.94 1xfx s ILE 462 CO 0.00 -0.07 0.75 -0.89 -1.91 0.00 0.00 174.94 172.82 1xfx s THR 463 N -3.87 4.49 0.41 4.00 2.01 0.49 -4.95 115.64 118.21 1xfx s THR 463 Ca 0.09 1.63 0.15 0.00 0.31 0.00 0.00 61.69 63.87 1xfx s THR 463 Cb -0.02 -4.11 0.36 0.00 0.01 0.00 0.00 72.50 68.75 1xfx s THR 463 CO -0.02 0.49 1.87 -0.37 -0.69 0.00 0.00 174.62 175.90 1xfx h VAL 464 N 3.52 0.73 0.00 3.82 -1.51 -1.95 1.10 116.25 121.96 1xfx h VAL 464 Ca -0.47 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 1xfx h VAL 464 Cb 1.21 0.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1xfx h VAL 464 CO 0.67 0.08 0.00 -0.07 -1.23 0.00 0.00 177.57 177.02 1xfx h LEU 465 N 0.46 0.00 0.00 4.19 4.07 -1.92 -3.45 115.31 118.65 1xfx h LEU 465 Ca 0.44 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.40 1xfx h LEU 465 Cb 1.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.75 1xfx h LEU 465 CO -0.17 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.80 1xfx n GLY 466 N -0.39 1.52 3.92 0.83 0.00 0.38 -5.11 105.19 106.33 1xfx n GLY 466 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1xfx n GLY 466 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xfx s GLU 467 N -0.34 3.37 -0.16 1.61 2.02 -1.18 -4.85 118.70 119.18 1xfx s GLU 467 Ca 0.00 -0.58 -0.05 0.00 0.02 0.00 0.00 54.97 54.36 1xfx s GLU 467 Cb 0.00 -2.95 0.08 0.00 0.10 0.00 0.00 34.13 31.36 1xfx s GLU 467 CO 0.00 0.55 0.32 0.21 0.02 0.00 0.00 175.26 176.36 1xfx s LYS 468 N -2.98 0.22 0.21 1.61 2.20 -1.26 -0.38 119.74 119.35 1xfx s LYS 468 Ca 0.34 0.83 -0.07 0.00 -0.36 0.00 0.00 55.97 56.71 1xfx s LYS 468 Cb -0.12 0.05 -0.02 0.00 -1.51 0.00 0.00 37.83 36.23 1xfx s LYS 468 CO 0.28 -0.30 0.28 -0.59 -0.36 0.00 0.00 175.35 174.66 1xfx s PHE 469 N 2.49 0.73 0.27 4.03 -0.12 -1.26 -5.00 117.98 119.12 1xfx s PHE 469 Ca 0.01 -1.04 0.05 0.00 -0.05 0.00 0.00 56.93 55.91 1xfx s PHE 469 Cb -0.12 -0.20 -0.02 0.00 -0.63 0.00 0.00 43.02 42.04 1xfx s PHE 469 CO -0.10 -0.77 0.39 -0.80 -0.05 0.00 0.00 175.22 173.88 1xfx s ASN 470 N -3.07 6.22 -0.03 1.98 0.01 -1.26 -1.12 114.94 117.66 1xfx s ASN 470 Ca 0.29 -0.00 -0.02 0.00 -0.71 0.00 0.00 52.86 52.41 1xfx s ASN 470 Cb 0.04 -1.69 -0.01 0.00 0.41 0.00 0.00 41.25 40.00 1xfx s ASN 470 CO 0.08 -0.17 0.11 0.79 -1.51 0.00 0.00 177.10 176.41 1xfx n TRP 471 N -1.47 0.07 -4.20 2.20 7.02 -1.25 -4.79 117.44 115.02 1xfx n TRP 471 Ca -0.07 0.04 -0.13 0.00 -1.02 0.00 0.00 57.50 56.33 1xfx n TRP 471 Cb 0.57 -0.12 -0.10 0.00 -2.42 0.00 0.00 31.31 29.24 1xfx n TRP 471 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1xfx s ARG 472 N 0.29 0.93 0.45 -0.99 0.52 -0.16 -4.93 118.95 115.05 1xfx s ARG 472 Ca 0.06 -1.36 -0.20 0.00 -0.52 0.00 0.00 55.73 53.71 1xfx s ARG 472 Cb -0.08 -0.42 -0.10 0.00 0.52 0.00 0.00 34.95 34.87 1xfx s ARG 472 CO 0.04 0.03 0.96 -0.80 0.02 0.00 0.00 175.30 175.55 1xfx s ASN 473 N -3.01 6.83 -0.44 0.23 -0.87 -1.26 -0.65 114.94 115.77 1xfx s ASN 473 Ca 0.13 1.71 -0.24 0.00 -1.57 0.00 0.00 52.86 52.89 1xfx s ASN 473 Cb 0.03 -2.54 0.02 0.00 -0.02 0.00 0.00 41.25 38.74 1xfx s ASN 473 CO -0.02 -0.44 0.82 -0.63 -2.57 0.00 0.00 177.10 174.26 1xfx s ILE 474 N -2.20 4.62 0.11 0.60 1.01 0.12 -4.83 121.20 120.63 1xfx s ILE 474 Ca 0.62 0.56 -0.11 0.00 0.00 0.00 0.00 60.65 61.72 1xfx s ILE 474 Cb -0.10 -4.34 -0.06 0.00 0.01 0.00 0.00 42.46 37.97 1xfx s ILE 474 CO 0.16 -0.71 0.46 -1.61 0.00 0.00 0.00 174.94 173.23 1xfx s GLU 475 N 3.38 3.84 0.18 2.79 2.02 -1.26 0.72 118.70 130.37 1xfx s GLU 475 Ca 0.32 0.29 0.07 0.00 0.02 0.00 0.00 54.97 55.67 1xfx s GLU 475 Cb -0.12 -2.96 -0.04 0.00 0.10 0.00 0.00 34.13 31.11 1xfx s GLU 475 CO 0.23 0.52 -0.15 0.14 0.02 0.00 0.00 175.26 176.02 1xfx s VAL 476 N -1.44 1.67 0.36 2.63 -7.23 0.37 -1.39 120.40 115.37 1xfx s VAL 476 Ca 0.35 -2.09 -0.26 0.00 -1.81 0.00 0.00 61.98 58.17 1xfx s VAL 476 Cb -0.14 -1.93 -0.09 0.00 0.56 0.00 0.00 36.38 34.78 1xfx s VAL 476 CO 0.19 -0.53 1.08 -0.04 -0.31 0.00 0.00 175.10 175.48 1xfx s MET 477 N -3.37 4.32 -0.12 4.82 1.00 -0.65 -1.84 119.30 123.46 1xfx s MET 477 Ca 0.19 1.66 -0.10 0.00 0.00 0.00 0.00 55.69 57.43 1xfx s MET 477 Cb -0.02 -2.79 0.03 0.00 0.00 0.00 0.00 34.83 32.05 1xfx s MET 477 CO 0.06 -0.03 0.31 0.00 0.00 0.00 0.00 175.02 175.35 1xfx s ALA 478 N -1.45 -0.76 0.16 3.03 0.00 0.16 0.75 121.76 123.65 1xfx s ALA 478 Ca 0.53 0.88 0.02 0.00 0.00 0.00 0.00 51.96 53.38 1xfx s ALA 478 Cb -0.27 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 1xfx s ALA 478 CO 0.34 -0.15 0.31 -1.59 0.00 0.00 0.00 175.76 174.67 1xfx s LYS 479 N 0.22 3.46 0.40 0.00 -2.85 -0.91 -1.46 119.74 118.59 1xfx s LYS 479 Ca -0.00 -0.53 -0.25 0.00 -1.00 0.00 0.00 55.97 54.18 1xfx s LYS 479 Cb -0.02 -2.94 -0.08 0.00 -2.06 0.00 0.00 37.83 32.72 1xfx s LYS 479 CO -0.00 0.49 1.22 1.21 0.10 0.00 0.00 175.35 178.37 1xfx s ASN 480 N -3.20 6.43 -0.35 0.03 3.04 0.47 -2.42 114.94 118.93 1xfx s ASN 480 Ca 0.35 2.46 0.05 0.00 0.04 0.00 0.00 52.86 55.76 1xfx s ASN 480 Cb -0.11 -2.62 0.17 0.00 -1.54 0.00 0.00 41.25 37.15 1xfx s ASN 480 CO 0.29 -0.75 0.50 -0.69 -3.04 0.00 0.00 177.10 173.40 1xfx s VAL 481 N -1.35 -0.72 -0.84 -5.21 1.01 -1.06 -4.90 120.40 107.32 1xfx s VAL 481 Ca 0.57 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 1xfx s VAL 481 Cb -0.33 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.43 1xfx s VAL 481 CO 0.42 -0.23 0.72 -0.62 0.00 0.00 0.00 175.10 175.40 1xfx n GLU 482 N 4.81 -4.84 -3.53 2.72 -0.58 -1.26 -3.20 120.64 114.76 1xfx n GLU 482 Ca 0.07 0.55 -0.19 0.00 -0.42 0.00 0.00 57.16 57.17 1xfx n GLU 482 Cb 0.51 -4.72 0.06 0.00 -0.57 0.00 0.00 31.44 26.72 1xfx n GLU 482 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xfx n GLY 483 N -1.31 -0.45 3.20 0.62 0.00 -1.26 -4.99 105.19 101.00 1xfx n GLY 483 Ca -0.09 0.18 0.04 0.00 0.00 0.00 0.00 46.02 46.15 1xfx n GLY 483 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xfx s VAL 484 N -3.49 -0.94 -0.93 1.61 1.01 -1.19 -5.09 120.40 111.38 1xfx s VAL 484 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 61.80 1xfx s VAL 484 Cb -0.01 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.27 1xfx s VAL 484 CO 0.77 0.00 2.09 -0.76 0.00 0.00 0.00 175.10 177.20 1xfx s LEU 485 N 2.87 2.99 0.15 3.92 1.02 -1.26 -2.56 118.68 125.80 1xfx s LEU 485 Ca 0.17 -0.65 -0.25 0.00 0.02 0.00 0.00 54.13 53.42 1xfx s LEU 485 Cb -0.14 -2.56 -0.08 0.00 0.02 0.00 0.00 46.19 43.43 1xfx s LEU 485 CO -0.20 -3.30 0.76 -0.54 0.02 0.00 0.00 176.35 173.09 1xfx s LYS 486 N 7.59 4.53 0.78 1.70 1.02 -1.02 -4.86 119.74 129.49 1xfx s LYS 486 Ca 0.77 1.12 -0.13 0.00 0.02 0.00 0.00 55.97 57.75 1xfx s LYS 486 Cb -0.07 -3.27 0.07 0.00 -0.52 0.00 0.00 37.83 34.03 1xfx s LYS 486 CO 0.05 0.55 1.18 -1.25 -0.92 0.00 0.00 175.35 174.96 1xfx s PRO 487 N -1.03 1.89 0.05 -1.68 0.04 -1.26 -2.15 135.00 130.85 1xfx s PRO 487 Ca 0.35 1.66 0.04 0.00 0.04 0.00 0.00 61.00 63.09 1xfx s PRO 487 Cb -0.23 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1xfx s PRO 487 CO 0.25 -2.00 -0.04 -0.51 0.04 0.00 0.00 177.00 174.74 1xfx s LEU 488 N -5.56 3.29 0.29 -3.56 1.43 0.23 -2.72 118.68 112.09 1xfx s LEU 488 Ca 0.71 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 1xfx s LEU 488 Cb -0.26 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 1xfx s LEU 488 CO 0.49 0.23 0.29 0.28 0.23 0.00 0.00 176.35 177.87 1xfx s THR 489 N -1.15 0.00 0.76 5.49 -1.32 -0.79 -3.21 115.64 115.42 1xfx s THR 489 Ca 0.21 -1.89 -0.16 0.00 -1.21 0.00 0.00 61.69 58.64 1xfx s THR 489 Cb -0.11 -2.51 -0.07 0.00 -1.51 0.00 0.00 72.50 68.29 1xfx s THR 489 CO 0.12 0.00 0.13 0.00 -2.21 0.00 0.00 174.62 172.66 1xfx n ALA 490 N -0.51 -2.73 -4.35 11.08 0.00 -1.26 -0.86 120.51 121.89 1xfx n ALA 490 Ca 0.04 -0.34 -0.23 0.00 0.00 0.00 0.00 53.44 52.92 1xfx n ALA 490 Cb 0.63 -1.62 -0.04 0.00 0.00 0.00 0.00 19.45 18.42 1xfx n ALA 490 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1xfx n ASP 491 N 0.86 2.83 -4.34 0.00 3.85 -1.26 -4.42 116.55 114.06 1xfx n ASP 491 Ca 0.07 -2.56 -0.46 0.00 -0.71 0.00 0.00 54.79 51.13 1xfx n ASP 491 Cb 0.51 0.18 -0.03 0.00 -1.35 0.00 0.00 41.12 40.44 1xfx n ASP 491 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1xfx s TYR 492 N -2.24 3.57 -0.70 2.11 2.02 0.22 -4.87 117.35 117.46 1xfx s TYR 492 Ca 0.06 -1.75 -0.27 0.00 -0.37 0.00 0.00 57.07 54.74 1xfx s TYR 492 Cb -0.00 -3.88 0.03 0.00 -0.40 0.00 0.00 41.96 37.71 1xfx s TYR 492 CO 0.04 -1.07 1.24 -0.51 -1.57 0.00 0.00 175.55 173.67 1xfx s ASP 493 N 2.64 6.21 0.27 2.29 -0.00 -1.26 -4.52 116.67 122.30 1xfx s ASP 493 Ca 0.17 -0.39 -0.30 0.00 -0.00 0.00 0.00 52.55 52.02 1xfx s ASP 493 Cb -0.13 -2.55 -0.12 0.00 -0.00 0.00 0.00 42.92 40.12 1xfx s ASP 493 CO -0.06 -1.74 1.63 -0.76 -0.00 0.00 0.00 175.17 174.24 1xfx s LEU 494 N 5.45 4.35 0.00 1.23 1.43 -1.26 -1.60 118.68 128.28 1xfx s LEU 494 Ca 0.35 2.94 -0.05 0.00 -1.03 0.00 0.00 54.13 56.34 1xfx s LEU 494 Cb -0.09 -3.63 -0.29 0.00 0.03 0.00 0.00 46.19 42.22 1xfx s LEU 494 CO 0.17 -0.94 0.86 0.15 0.23 0.00 0.00 176.35 176.82 1xfx h PHE 495 N 5.37 0.52 -1.87 0.29 3.04 0.08 -1.80 116.94 122.56 1xfx h PHE 495 Ca -0.46 -0.38 0.19 0.00 3.98 0.00 0.00 57.97 61.30 1xfx h PHE 495 Cb 1.22 -0.02 -0.17 0.00 2.56 0.00 0.00 35.95 39.54 1xfx h PHE 495 CO 0.60 1.42 0.66 0.00 -2.02 0.00 0.00 178.31 178.97 1xfx s ALA 496 N -2.61 -1.95 -0.12 2.41 0.00 -1.14 -3.35 121.76 115.00 1xfx s ALA 496 Ca -0.10 1.25 -0.01 0.00 0.00 0.00 0.00 51.96 53.11 1xfx s ALA 496 Cb 0.06 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.39 1xfx s ALA 496 CO 0.86 -0.67 -0.04 -0.51 0.00 0.00 0.00 175.76 175.40 1xfx s LEU 497 N -2.37 1.08 -0.55 0.00 1.43 -1.26 -0.85 118.68 116.17 1xfx s LEU 497 Ca 0.08 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1xfx s LEU 497 Cb -0.01 -0.72 0.14 0.00 0.03 0.00 0.00 46.19 45.64 1xfx s LEU 497 CO -0.06 -0.17 0.32 0.00 0.23 0.00 0.00 176.35 176.67 1xfx s ALA 498 N 1.78 3.39 0.66 4.21 0.00 -0.07 -4.90 121.76 126.84 1xfx s ALA 498 Ca 0.04 -3.19 -0.12 0.00 0.00 0.00 0.00 51.96 48.69 1xfx s ALA 498 Cb -0.13 -2.36 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 1xfx s ALA 498 CO -0.07 -2.02 1.05 -1.25 0.00 0.00 0.00 175.76 173.47 1xfx s PRO 499 N -0.06 3.11 0.43 0.00 0.04 -1.25 -1.06 135.00 136.20 1xfx s PRO 499 Ca 0.16 0.96 -0.21 0.00 0.04 0.00 0.00 61.00 61.95 1xfx s PRO 499 Cb -0.23 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.19 1xfx s PRO 499 CO -0.02 -0.96 0.96 -1.54 0.04 0.00 0.00 177.00 175.48 1xfx s SER 500 N -3.68 6.89 0.37 6.66 1.04 -0.93 -1.44 113.70 122.62 1xfx s SER 500 Ca 0.58 1.71 0.10 0.00 0.48 0.00 0.00 55.95 58.83 1xfx s SER 500 Cb -0.14 -2.54 0.85 0.00 0.10 0.00 0.00 66.02 64.29 1xfx s SER 500 CO 0.51 -0.39 1.90 -0.07 0.98 0.00 0.00 173.24 176.17 1xfx h LEU 501 N 1.90 0.60 -1.55 2.42 3.38 -1.64 0.24 115.31 120.66 1xfx h LEU 501 Ca -0.49 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 1xfx h LEU 501 Cb 1.18 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1xfx h LEU 501 CO 0.61 0.32 -0.06 0.71 0.09 0.00 0.00 178.44 180.11 1xfx h THR 502 N 0.65 1.13 0.24 0.22 1.35 -1.92 -1.69 112.91 112.90 1xfx h THR 502 Ca 0.41 -0.56 -0.01 0.00 -0.55 0.00 0.00 66.41 65.70 1xfx h THR 502 Cb 0.66 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1xfx h THR 502 CO -0.17 0.18 -0.12 -0.08 -0.25 0.00 0.00 175.52 175.08 1xfx h GLU 503 N 0.21 -0.31 -0.88 4.72 4.57 -0.85 -2.70 114.58 119.33 1xfx h GLU 503 Ca 0.05 0.02 0.18 0.00 -1.18 0.00 0.00 59.36 58.43 1xfx h GLU 503 Cb 0.25 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.84 1xfx h GLU 503 CO 0.01 0.01 0.58 0.82 -1.18 0.00 0.00 179.01 179.25 1xfx h ILE 504 N -0.67 0.74 -0.84 2.32 5.03 -1.07 0.35 117.51 123.37 1xfx h ILE 504 Ca -0.03 -0.17 0.14 0.00 -0.12 0.00 0.00 64.86 64.67 1xfx h ILE 504 Cb 0.47 0.19 -0.06 0.00 -3.03 0.00 0.00 36.82 34.39 1xfx h ILE 504 CO 0.05 0.09 0.55 0.50 -0.68 0.00 0.00 178.15 178.66 1xfx h LYS 505 N 0.50 0.59 -0.80 2.37 1.63 -0.98 0.71 116.57 120.59 1xfx h LYS 505 Ca 0.46 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.22 1xfx h LYS 505 Cb 0.99 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 1xfx h LYS 505 CO -0.19 0.39 0.00 1.63 -3.45 0.00 0.00 179.45 177.83 1xfx n LYS 506 N -4.53 1.96 -0.00 1.90 5.02 0.12 -2.82 118.16 119.81 1xfx n LYS 506 Ca 0.16 -0.82 0.05 0.00 -2.02 0.00 0.00 58.31 55.68 1xfx n LYS 506 Cb 0.47 -1.63 -0.06 0.00 -0.02 0.00 0.00 35.03 33.79 1xfx n LYS 506 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1xfx n GLN 507 N 0.15 2.00 -3.44 1.97 -0.06 0.25 -4.96 117.38 113.30 1xfx n GLN 507 Ca 0.07 -0.05 -0.37 0.00 -2.00 0.00 0.00 57.00 54.66 1xfx n GLN 507 Cb 0.46 -1.09 -0.07 0.00 -4.06 0.00 0.00 30.24 25.48 1xfx n GLN 507 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1xfx s ILE 508 N -2.29 5.25 -0.63 1.69 1.01 -1.13 -4.98 121.20 120.12 1xfx s ILE 508 Ca -0.00 0.71 -0.26 0.00 0.00 0.00 0.00 60.65 61.10 1xfx s ILE 508 Cb 0.07 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 1xfx s ILE 508 CO 0.39 0.35 1.98 -2.16 0.00 0.00 0.00 174.94 175.50 1xfx s PRO 509 N 0.61 2.50 0.00 2.79 0.04 -1.26 -4.88 135.00 134.80 1xfx s PRO 509 Ca 0.20 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1xfx s PRO 509 Cb -0.14 -4.51 0.00 0.00 0.04 0.00 0.00 34.50 29.89 1xfx s PRO 509 CO 0.07 -2.95 0.00 1.04 0.04 0.00 0.00 177.00 175.20 1xfx n GLN 510 N 9.11 0.00 -0.09 4.56 1.13 -1.26 0.14 117.38 130.97 1xfx n GLN 510 Ca 0.26 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 55.25 1xfx n GLN 510 Cb 0.52 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.87 1xfx n GLN 510 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 1xfx h LYS 511 N 0.00 0.22 0.21 -1.09 2.10 -1.98 0.18 116.57 116.21 1xfx h LYS 511 Ca 0.00 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 1xfx h LYS 511 Cb 0.00 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.27 1xfx h LYS 511 CO 0.00 0.15 -0.19 0.93 -2.00 0.00 0.00 179.45 178.34 1xfx h GLU 512 N 0.23 -0.38 -0.94 0.07 5.08 0.78 0.58 114.58 120.00 1xfx h GLU 512 Ca 0.15 0.03 0.27 0.00 -1.00 0.00 0.00 59.36 58.81 1xfx h GLU 512 Cb 0.14 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1xfx h GLU 512 CO -0.17 -0.25 0.81 2.35 -1.00 0.00 0.00 179.01 180.75 1xfx h TRP 513 N -0.39 0.00 0.13 4.33 7.01 -1.56 0.14 115.95 125.60 1xfx h TRP 513 Ca -0.03 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 1xfx h TRP 513 Cb 0.34 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.40 1xfx h TRP 513 CO -0.11 0.00 -0.06 -0.44 -2.79 0.00 0.00 178.44 175.03 1xfx h ASP 514 N 0.00 -0.15 0.00 2.65 3.45 0.78 -2.21 116.42 120.94 1xfx h ASP 514 Ca 0.45 -0.32 0.00 0.00 0.43 0.00 0.00 57.03 57.59 1xfx h ASP 514 Cb 2.06 0.04 0.00 0.00 -0.56 0.00 0.00 39.33 40.86 1xfx h ASP 514 CO -0.00 0.45 0.37 0.50 -1.57 0.00 0.00 179.24 178.98 1xfx h LYS 515 N -0.96 0.00 0.00 3.56 3.64 0.28 -1.41 116.57 121.68 1xfx h LYS 515 Ca -0.02 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1xfx h LYS 515 Cb 0.46 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1xfx h LYS 515 CO 0.03 0.00 -0.53 0.28 -2.27 0.00 0.00 179.45 176.95 1xfx h VAL 516 N 0.00 0.97 -0.01 2.00 2.07 -1.13 -3.39 116.25 116.76 1xfx h VAL 516 Ca 0.00 -1.91 -0.08 0.00 0.82 0.00 0.00 66.70 65.54 1xfx h VAL 516 Cb 0.74 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1xfx h VAL 516 CO 0.00 0.33 -0.37 -0.37 0.02 0.00 0.00 177.57 177.18 1xfx h VAL 517 N -1.00 1.27 -0.03 2.57 -1.51 -0.68 -3.29 116.25 113.57 1xfx h VAL 517 Ca -0.13 -1.27 -0.68 0.00 -1.23 0.00 0.00 66.70 63.40 1xfx h VAL 517 Cb 0.90 1.68 0.02 0.00 -2.13 0.00 0.00 31.29 31.76 1xfx h VAL 517 CO -0.08 0.36 3.76 0.59 -1.23 0.00 0.00 177.57 180.97 1xfx n ASN 518 N -4.10 8.26 -4.26 4.19 5.03 -0.62 -4.81 115.26 118.96 1xfx n ASN 518 Ca -0.02 -2.61 -0.20 0.00 0.87 0.00 0.00 54.58 52.62 1xfx n ASN 518 Cb 0.40 -1.57 -0.11 0.00 -1.02 0.00 0.00 39.78 37.49 1xfx n ASN 518 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1xfx s THR 519 N 2.19 1.45 -1.83 3.41 -1.32 -1.24 -4.97 115.64 113.32 1xfx s THR 519 Ca 0.67 -1.68 0.24 0.00 -1.21 0.00 0.00 61.69 59.72 1xfx s THR 519 Cb 0.18 -1.53 0.12 0.00 -1.51 0.00 0.00 72.50 69.75 1xfx s THR 519 CO -0.06 -0.32 1.32 -0.81 -2.21 0.00 0.00 174.62 172.54 1xfx n PRO 520 N 0.66 0.94 -3.12 7.08 -0.04 -1.26 -4.83 135.00 134.43 1xfx n PRO 520 Ca -0.16 -0.68 -0.45 0.00 -0.04 0.00 0.00 63.50 62.17 1xfx n PRO 520 Cb 0.56 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 1xfx n PRO 520 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1xfx s ASN 521 N -2.53 6.20 0.10 3.54 3.84 -1.26 -4.95 114.94 119.88 1xfx s ASN 521 Ca 0.21 -1.49 -0.20 0.00 0.21 0.00 0.00 52.86 51.59 1xfx s ASN 521 Cb 0.19 -2.30 -0.04 0.00 -0.55 0.00 0.00 41.25 38.54 1xfx s ASN 521 CO 0.56 -1.09 1.25 -1.20 -2.79 0.00 0.00 177.10 173.83 1xfx n SER 522 N 6.24 -0.67 0.20 -4.21 7.64 -1.26 -0.23 113.62 121.32 1xfx n SER 522 Ca -0.09 1.41 0.05 0.00 1.01 0.00 0.00 58.87 61.25 1xfx n SER 522 Cb 0.42 -0.28 0.42 0.00 -1.01 0.00 0.00 64.21 63.76 1xfx n SER 522 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1xfx h LEU 523 N 0.00 0.00 -0.44 -3.43 5.85 -2.01 -2.92 115.31 112.36 1xfx h LEU 523 Ca 0.10 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.65 1xfx h LEU 523 Cb 0.26 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1xfx h LEU 523 CO -0.60 0.33 -0.74 -0.08 -0.34 0.00 0.00 178.44 177.01 1xfx h GLU 524 N 0.00 0.28 0.46 1.25 4.81 -1.09 -2.81 114.58 117.47 1xfx h GLU 524 Ca -0.00 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 1xfx h GLU 524 Cb 0.65 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 1xfx h GLU 524 CO 0.04 0.90 -0.51 -0.22 -0.73 0.00 0.00 179.01 178.49 1xfx h LYS 525 N 0.19 -0.95 -0.98 1.92 3.64 -0.41 0.23 116.57 120.21 1xfx h LYS 525 Ca -0.03 0.06 0.16 0.00 -1.27 0.00 0.00 60.65 59.58 1xfx h LYS 525 Cb 1.31 0.22 -0.17 0.00 -0.41 0.00 0.00 32.23 33.18 1xfx h LYS 525 CO 0.12 -0.63 -0.35 0.37 -2.27 0.00 0.00 179.45 176.69 1xfx h GLN 526 N -0.99 -0.01 0.65 1.90 4.15 -1.53 0.72 115.11 120.00 1xfx h GLN 526 Ca -0.06 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 1xfx h GLN 526 Cb 0.87 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.55 1xfx h GLN 526 CO -0.09 -0.00 -0.46 -0.22 -1.93 0.00 0.00 178.83 176.12 1xfx h LYS 527 N -0.01 -1.03 -1.13 1.69 3.64 -1.08 -1.05 116.57 117.60 1xfx h LYS 527 Ca 0.38 0.07 0.33 0.00 -1.27 0.00 0.00 60.65 60.16 1xfx h LYS 527 Cb 0.63 0.23 -0.11 0.00 -0.41 0.00 0.00 32.23 32.57 1xfx h LYS 527 CO -0.98 -0.68 0.72 0.78 -2.27 0.00 0.00 179.45 177.01 1xfx h GLY 528 N -1.07 1.37 0.64 5.01 0.00 0.16 -0.64 103.07 108.54 1xfx h GLY 528 Ca -0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1xfx h GLY 528 CO 0.05 -0.28 -0.31 -2.08 0.00 0.00 0.00 176.54 173.92 1xfx h VAL 529 N 0.28 0.00 -0.84 4.60 2.07 -0.55 -2.05 116.25 119.77 1xfx h VAL 529 Ca 0.69 -0.37 0.21 0.00 0.82 0.00 0.00 66.70 68.05 1xfx h VAL 529 Cb 1.89 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 31.51 1xfx h VAL 529 CO -0.38 0.00 0.05 0.74 0.02 0.00 0.00 177.57 178.00 1xfx h THR 530 N -1.23 0.26 -0.36 2.57 2.02 0.13 0.95 112.91 117.26 1xfx h THR 530 Ca -0.09 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1xfx h THR 530 Cb 0.66 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1xfx h THR 530 CO 0.14 0.02 0.15 0.78 0.37 0.00 0.00 175.52 176.99 1xfx h ASN 531 N 0.11 0.48 -0.20 4.18 2.35 -1.23 0.78 115.58 122.04 1xfx h ASN 531 Ca 0.48 -0.15 0.05 0.00 -0.55 0.00 0.00 56.30 56.13 1xfx h ASN 531 Cb 0.91 -0.12 -0.06 0.00 0.05 0.00 0.00 38.32 39.09 1xfx h ASN 531 CO -0.72 0.50 -0.19 -0.07 -1.65 0.00 0.00 177.43 175.30 1xfx h LEU 532 N 0.43 -0.59 -1.30 1.61 3.38 0.10 1.19 115.31 120.13 1xfx h LEU 532 Ca 0.12 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.25 1xfx h LEU 532 Cb 0.16 0.29 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1xfx h LEU 532 CO -0.01 -0.23 0.50 0.25 0.09 0.00 0.00 178.44 179.04 1xfx h LEU 533 N -0.20 0.76 0.25 1.67 6.46 0.12 0.18 115.31 124.55 1xfx h LEU 533 Ca 0.12 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 1xfx h LEU 533 Cb 0.38 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 1xfx h LEU 533 CO -0.32 0.50 -0.12 0.40 -0.62 0.00 0.00 178.44 178.28 1xfx h ILE 534 N 0.87 0.78 0.66 4.05 2.04 0.33 -1.20 117.51 125.04 1xfx h ILE 534 Ca 0.32 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 1xfx h ILE 534 Cb 0.16 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1xfx h ILE 534 CO -0.10 0.14 -0.45 0.50 0.00 0.00 0.00 178.15 178.24 1xfx h LYS 535 N -0.73 -1.01 0.00 2.37 3.64 0.17 0.14 116.57 121.16 1xfx h LYS 535 Ca -0.03 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1xfx h LYS 535 Cb 0.49 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1xfx h LYS 535 CO 0.06 -0.67 0.00 0.66 -2.27 0.00 0.00 179.45 177.23 1xfx n TYR 536 N -5.22 0.00 0.00 1.91 4.01 0.59 -4.30 117.16 114.15 1xfx n TYR 536 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1xfx n TYR 536 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 1xfx n TYR 536 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xfx n GLY 537 N 0.58 -0.01 0.08 2.72 0.00 -0.48 -4.86 105.19 103.22 1xfx n GLY 537 Ca 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 1xfx n GLY 537 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xfx n ILE 538 N -1.83 1.27 -1.92 -0.61 5.41 -0.26 -4.96 119.36 116.46 1xfx n ILE 538 Ca 0.00 -0.75 -0.40 0.00 1.00 0.00 0.00 62.75 62.59 1xfx n ILE 538 Cb 0.00 -0.69 -0.00 0.00 -0.71 0.00 0.00 39.64 38.24 1xfx n ILE 538 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1xfx s GLU 539 N -2.76 4.08 -0.08 0.38 2.12 0.33 -5.00 118.70 117.77 1xfx s GLU 539 Ca -0.06 2.39 0.00 0.00 0.36 0.00 0.00 54.97 57.67 1xfx s GLU 539 Cb 0.08 -2.91 0.02 0.00 0.26 0.00 0.00 34.13 31.59 1xfx s GLU 539 CO 0.83 -0.49 -0.05 1.03 -0.54 0.00 0.00 175.26 176.04 1xfx s ARG 540 N -2.10 1.12 0.34 4.30 0.52 -1.26 -4.47 118.95 117.40 1xfx s ARG 540 Ca 0.54 -0.14 0.07 0.00 -0.52 0.00 0.00 55.73 55.68 1xfx s ARG 540 Cb -0.43 -1.20 -0.02 0.00 0.52 0.00 0.00 34.95 33.82 1xfx s ARG 540 CO 0.57 -0.18 0.31 0.15 0.02 0.00 0.00 175.30 176.17 1xfx s LYS 541 N 1.41 2.75 0.71 3.54 -0.14 -0.67 -4.86 119.74 122.48 1xfx s LYS 541 Ca -0.02 -1.28 -0.07 0.00 -1.36 0.00 0.00 55.97 53.24 1xfx s LYS 541 Cb -0.13 -2.51 0.06 0.00 -1.68 0.00 0.00 37.83 33.57 1xfx s LYS 541 CO -0.03 0.08 1.03 -1.25 -0.76 0.00 0.00 175.35 174.41 1xfx s PRO 542 N -4.02 2.22 -0.23 -1.68 0.04 -1.26 -1.75 135.00 128.33 1xfx s PRO 542 Ca 0.42 -0.20 -0.21 0.00 0.04 0.00 0.00 61.00 61.05 1xfx s PRO 542 Cb -0.06 -2.15 0.06 0.00 0.04 0.00 0.00 34.50 32.39 1xfx s PRO 542 CO 0.27 -1.24 0.61 0.34 0.04 0.00 0.00 177.00 177.02 1xfx s ASP 543 N -4.51 -0.65 0.16 6.66 -1.08 -0.10 -4.86 116.67 112.28 1xfx s ASP 543 Ca 0.60 1.24 -0.16 0.00 -0.52 0.00 0.00 52.55 53.71 1xfx s ASP 543 Cb -0.11 1.24 0.05 0.00 -1.46 0.00 0.00 42.92 42.65 1xfx s ASP 543 CO 0.45 -0.21 1.79 0.77 0.52 0.00 0.00 175.17 178.48 1xfx h SER 544 N 5.29 0.32 0.00 -0.34 4.64 -1.99 -3.16 113.55 118.31 1xfx h SER 544 Ca -0.29 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1xfx h SER 544 Cb 1.17 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1xfx h SER 544 CO 0.12 0.23 0.00 0.35 -0.87 0.00 0.00 176.83 176.67 1xfx n THR 545 N -4.90 0.00 1.17 2.95 -2.24 -1.26 -4.62 114.28 105.38 1xfx n THR 545 Ca 0.01 0.35 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 1xfx n THR 545 Cb 0.08 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 1xfx n THR 545 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xfx n LYS 546 N -1.72 0.98 0.00 -0.78 5.02 -1.26 -4.82 118.16 115.58 1xfx n LYS 546 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xfx n LYS 546 Cb 0.00 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1xfx n LYS 546 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xfx n GLY 547 N 0.10 0.29 3.54 0.72 0.00 -1.19 -1.99 105.19 106.66 1xfx n GLY 547 Ca 0.00 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 1xfx n GLY 547 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xfx s THR 548 N 0.00 4.57 0.31 2.61 2.01 -1.26 -0.93 115.64 122.95 1xfx s THR 548 Ca 0.00 -0.10 -0.18 0.00 0.31 0.00 0.00 61.69 61.72 1xfx s THR 548 Cb 0.00 -3.10 0.06 0.00 0.01 0.00 0.00 72.50 69.47 1xfx s THR 548 CO 0.00 0.39 0.87 -1.48 -0.69 0.00 0.00 174.62 173.72 1xfx s LEU 549 N 1.00 -0.02 0.00 4.42 2.34 -0.71 -4.09 118.68 121.63 1xfx s LEU 549 Ca 0.04 -0.94 -0.03 0.00 0.06 0.00 0.00 54.13 53.26 1xfx s LEU 549 Cb -0.14 2.57 0.11 0.00 -0.56 0.00 0.00 46.19 48.17 1xfx s LEU 549 CO 0.03 -1.42 0.70 -0.24 -1.06 0.00 0.00 176.35 174.36 1xfx n SER 550 N -1.27 0.67 -0.07 1.48 2.88 -1.26 -1.67 113.62 114.38 1xfx n SER 550 Ca -0.06 -1.63 -0.18 0.00 -1.33 0.00 0.00 58.87 55.67 1xfx n SER 550 Cb 0.60 -0.48 -0.13 0.00 -0.75 0.00 0.00 64.21 63.45 1xfx n SER 550 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1xfx h ASN 551 N -0.58 0.05 -0.43 -3.46 -0.26 -1.95 -2.95 115.58 106.01 1xfx h ASN 551 Ca -0.23 -0.80 -0.02 0.00 -0.56 0.00 0.00 56.30 54.69 1xfx h ASN 551 Cb 0.79 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 38.01 1xfx h ASN 551 CO 0.22 1.25 0.20 4.11 -1.06 0.00 0.00 177.43 182.15 1xfx h TRP 552 N -0.92 0.62 -1.09 1.19 5.08 -1.95 0.15 115.95 119.02 1xfx h TRP 552 Ca -0.16 -0.03 0.38 0.00 1.08 0.00 0.00 58.89 60.16 1xfx h TRP 552 Cb 1.20 -0.19 -0.15 0.00 -3.00 0.00 0.00 29.16 27.02 1xfx h TRP 552 CO 0.20 0.51 0.64 1.96 -1.28 0.00 0.00 178.44 180.47 1xfx h GLN 553 N 0.55 0.17 0.01 0.12 4.20 -1.95 0.98 115.11 119.19 1xfx h GLN 553 Ca 0.15 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1xfx h GLN 553 Cb 0.13 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1xfx h GLN 553 CO -0.02 0.11 -0.10 -0.22 -0.67 0.00 0.00 178.83 177.93 1xfx h LYS 554 N 0.17 0.05 -0.29 1.46 3.64 -0.65 0.41 116.57 121.35 1xfx h LYS 554 Ca 0.79 -0.07 0.07 0.00 -1.27 0.00 0.00 60.65 60.17 1xfx h LYS 554 Cb 2.07 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.90 1xfx h LYS 554 CO -0.59 0.95 0.21 -0.56 -2.27 0.00 0.00 179.45 177.18 1xfx h GLN 555 N -0.82 0.06 -0.16 1.90 3.07 0.18 0.28 115.11 119.62 1xfx h GLN 555 Ca -0.02 -0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.65 1xfx h GLN 555 Cb 0.99 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 28.54 1xfx h GLN 555 CO 0.02 0.04 -0.18 1.98 0.09 0.00 0.00 178.83 180.78 1xfx h MET 556 N 0.06 0.41 -0.18 0.06 4.05 0.89 -2.65 114.93 117.58 1xfx h MET 556 Ca 0.14 -0.23 0.05 0.00 -0.28 0.00 0.00 59.70 59.38 1xfx h MET 556 Cb 0.46 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 1xfx h MET 556 CO -0.01 0.80 0.21 1.25 0.23 0.00 0.00 176.91 179.39 1xfx h LEU 557 N 0.05 0.00 0.01 3.39 5.85 0.17 -2.63 115.31 122.16 1xfx h LEU 557 Ca 0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1xfx h LEU 557 Cb 0.73 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1xfx h LEU 557 CO 0.04 0.00 -0.01 0.44 -0.34 0.00 0.00 178.44 178.58 1xfx h ASP 558 N 0.00 -0.02 -1.27 1.25 5.19 -0.76 -3.26 116.42 117.55 1xfx h ASP 558 Ca 0.09 0.00 0.37 0.00 -0.62 0.00 0.00 57.03 56.87 1xfx h ASP 558 Cb 0.51 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.98 1xfx h ASP 558 CO -0.00 0.11 0.94 0.54 -3.12 0.00 0.00 179.24 177.71 1xfx n ARG 559 N -2.74 0.00 0.15 3.56 5.12 -1.03 0.11 116.66 121.83 1xfx n ARG 559 Ca -0.00 0.72 -0.11 0.00 -1.93 0.00 0.00 57.85 56.52 1xfx n ARG 559 Cb 0.01 -1.66 -0.07 0.00 -1.16 0.00 0.00 32.46 29.58 1xfx n ARG 559 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1xfx h LEU 560 N 0.00 -0.37 -0.39 0.55 3.38 -1.56 -1.54 115.31 115.39 1xfx h LEU 560 Ca 0.60 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.41 1xfx h LEU 560 Cb 2.48 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 43.30 1xfx h LEU 560 CO -0.01 0.08 0.25 0.78 0.09 0.00 0.00 178.44 179.64 1xfx h ASN 561 N -0.94 0.43 0.10 -0.43 2.35 0.77 0.45 115.58 118.31 1xfx h ASN 561 Ca -0.04 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1xfx h ASN 561 Cb 0.51 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 1xfx h ASN 561 CO 0.07 0.31 -0.09 1.05 -1.65 0.00 0.00 177.43 177.13 1xfx h GLU 562 N 0.52 0.00 -0.15 0.81 4.11 -1.49 -0.89 114.58 117.49 1xfx h GLU 562 Ca 0.14 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.38 1xfx h GLU 562 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1xfx h GLU 562 CO -0.04 0.09 -0.69 0.00 0.07 0.00 0.00 179.01 178.44 1xfx h ALA 563 N 1.91 0.51 -0.38 1.06 0.00 -0.09 -2.63 119.26 119.64 1xfx h ALA 563 Ca -0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 1xfx h ALA 563 Cb 0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1xfx h ALA 563 CO 0.01 0.71 0.04 1.33 0.00 0.00 0.00 179.25 181.34 1xfx n VAL 564 N -3.91 1.77 -0.05 0.00 0.24 0.01 -3.85 118.33 112.53 1xfx n VAL 564 Ca -0.05 -0.89 -0.09 0.00 -2.04 0.00 0.00 64.34 61.27 1xfx n VAL 564 Cb 0.69 -0.39 -0.04 0.00 -1.47 0.00 0.00 33.84 32.62 1xfx n VAL 564 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1xfx n LYS 565 N 0.30 0.24 0.00 7.34 4.81 -0.45 -3.35 118.16 127.05 1xfx n LYS 565 Ca 0.19 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 1xfx n LYS 565 Cb 0.87 -1.06 0.00 0.00 0.02 0.00 0.00 35.03 34.86 1xfx n LYS 565 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1xfx n TYR 566 N -3.08 0.00 -0.13 5.64 0.53 -1.02 -1.66 117.16 117.44 1xfx n TYR 566 Ca -0.19 0.00 -0.25 0.00 -1.02 0.00 0.00 57.90 56.44 1xfx n TYR 566 Cb 0.67 -0.01 -0.10 0.00 -1.03 0.00 0.00 39.34 38.87 1xfx n TYR 566 CO 0.00 0.00 0.00 -2.37 -1.02 0.00 0.00 176.86 173.47 1xfx n THR 567 N -0.37 1.44 0.00 -0.72 5.66 -1.25 -5.04 114.28 114.00 1xfx n THR 567 Ca 0.00 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 1xfx n THR 567 Cb 0.03 -1.73 0.00 0.00 -1.55 0.00 0.00 70.33 67.08 1xfx n THR 567 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xfx n GLY 568 N 1.60 0.19 3.66 1.09 0.00 -0.67 -5.13 105.19 105.93 1xfx n GLY 568 Ca -0.50 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.07 1xfx n GLY 568 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xfx n TYR 569 N 0.00 2.12 -1.28 1.61 9.36 -1.21 -4.91 117.16 122.85 1xfx n TYR 569 Ca 0.00 0.42 0.07 0.00 3.32 0.00 0.00 57.90 61.71 1xfx n TYR 569 Cb 0.00 -2.46 0.09 0.00 -0.63 0.00 0.00 39.34 36.34 1xfx n TYR 569 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1xfx n THR 570 N 2.16 1.29 1.04 2.97 -2.24 -1.26 -4.68 114.28 113.56 1xfx n THR 570 Ca 0.13 -1.54 0.12 0.00 -2.27 0.00 0.00 64.05 60.49 1xfx n THR 570 Cb 0.30 0.02 0.09 0.00 -2.10 0.00 0.00 70.33 68.65 1xfx n THR 570 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xfx n GLY 571 N -0.97 0.40 0.00 3.38 0.00 -1.25 -4.96 105.19 101.79 1xfx n GLY 571 Ca 0.11 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1xfx n GLY 571 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xfx n GLY 572 N 1.37 1.09 3.55 -0.02 0.00 -1.26 -4.24 105.19 105.68 1xfx n GLY 572 Ca 0.12 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.89 1xfx n GLY 572 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xfx s ASP 573 N -4.00 4.18 -0.01 1.61 1.11 -1.26 -4.96 116.67 113.34 1xfx s ASP 573 Ca 0.00 -0.52 0.06 0.00 0.18 0.00 0.00 52.55 52.27 1xfx s ASP 573 Cb 0.00 -0.70 -0.08 0.00 1.07 0.00 0.00 42.92 43.21 1xfx s ASP 573 CO 0.00 0.15 0.15 0.55 1.18 0.00 0.00 175.17 177.20 1xfx n VAL 574 N 0.45 0.00 -4.03 -1.27 3.14 -1.26 -3.95 118.33 111.41 1xfx n VAL 574 Ca -0.13 -0.19 -0.31 0.00 -2.96 0.00 0.00 64.34 60.75 1xfx n VAL 574 Cb 0.54 0.51 -0.15 0.00 -1.06 0.00 0.00 33.84 33.68 1xfx n VAL 574 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1xfx s VAL 575 N -2.20 1.93 -0.11 1.55 1.01 -1.26 0.71 120.40 122.03 1xfx s VAL 575 Ca -0.01 -1.39 0.19 0.00 0.00 0.00 0.00 61.98 60.77 1xfx s VAL 575 Cb 0.04 -2.05 -0.28 0.00 0.00 0.00 0.00 36.38 34.09 1xfx s VAL 575 CO 0.24 0.02 0.26 0.59 0.00 0.00 0.00 175.10 176.21 1xfx n ASN 576 N 4.54 0.22 -2.11 3.32 5.03 -1.26 -4.94 115.26 120.06 1xfx n ASN 576 Ca -0.14 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.22 1xfx n ASN 576 Cb 0.44 1.47 -0.03 0.00 -1.02 0.00 0.00 39.78 40.63 1xfx n ASN 576 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xfx n HIS 577 N -2.47 -0.25 -1.31 3.10 1.44 -1.26 -4.39 115.22 110.08 1xfx n HIS 577 Ca -0.18 -1.22 -0.29 0.00 -2.01 0.00 0.00 57.72 54.02 1xfx n HIS 577 Cb 0.84 0.10 0.19 0.00 0.12 0.00 0.00 29.99 31.23 1xfx n HIS 577 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1xfx s GLY 578 N -2.04 1.59 0.35 -1.39 0.00 -0.84 -4.79 107.32 100.19 1xfx s GLY 578 Ca 0.16 -0.70 -0.28 0.00 0.00 0.00 0.00 44.72 43.90 1xfx s GLY 578 CO 0.11 0.01 1.26 -0.51 0.00 0.00 0.00 173.10 173.98 1xfx s THR 579 N -3.16 2.84 -0.14 0.90 -4.23 -1.26 -4.71 115.64 105.88 1xfx s THR 579 Ca 0.68 0.81 0.06 0.00 -1.18 0.00 0.00 61.69 62.05 1xfx s THR 579 Cb -0.13 -3.50 0.06 0.00 1.34 0.00 0.00 72.50 70.27 1xfx s THR 579 CO 0.55 0.16 0.99 1.21 -0.54 0.00 0.00 174.62 176.99 1xfx n GLU 580 N 0.61 0.04 0.00 3.99 4.07 -0.68 -0.04 120.64 128.63 1xfx n GLU 580 Ca 0.01 0.41 0.06 0.00 -0.06 0.00 0.00 57.16 57.58 1xfx n GLU 580 Cb 0.43 -1.98 0.30 0.00 -0.06 0.00 0.00 31.44 30.13 1xfx n GLU 580 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1xfx n GLN 581 N -1.66 0.14 -0.03 5.31 3.00 -1.23 -1.27 117.38 121.64 1xfx n GLN 581 Ca -0.00 0.19 0.01 0.00 -0.01 0.00 0.00 57.00 57.19 1xfx n GLN 581 Cb 0.35 -1.50 0.02 0.00 0.00 0.00 0.00 30.24 29.12 1xfx n GLN 581 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1xfx n ASP 582 N -1.33 2.03 -1.97 1.08 8.00 0.94 -3.33 116.55 121.97 1xfx n ASP 582 Ca 0.05 -1.89 -0.11 0.00 0.71 0.00 0.00 54.79 53.56 1xfx n ASP 582 Cb 0.11 -0.03 -0.16 0.00 -0.02 0.00 0.00 41.12 41.02 1xfx n ASP 582 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xfx n ASN 583 N -0.28 5.20 0.09 -2.24 2.85 -0.40 -4.40 115.26 116.08 1xfx n ASN 583 Ca 0.02 -2.47 0.07 0.00 -0.11 0.00 0.00 54.58 52.10 1xfx n ASN 583 Cb 0.25 -1.39 0.53 0.00 1.24 0.00 0.00 39.78 40.42 1xfx n ASN 583 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1xfx h GLU 584 N 2.88 0.28 0.00 1.20 5.08 -1.84 -2.16 114.58 120.01 1xfx h GLU 584 Ca 0.17 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1xfx h GLU 584 Cb 1.47 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1xfx h GLU 584 CO 0.21 0.18 0.00 0.39 -1.00 0.00 0.00 179.01 178.80 1xfx n GLU 585 N -4.49 0.00 -3.28 2.33 -0.58 -1.26 -4.46 120.64 108.89 1xfx n GLU 585 Ca 0.02 0.20 -0.28 0.00 -0.42 0.00 0.00 57.16 56.68 1xfx n GLU 585 Cb 0.14 -1.18 -0.07 0.00 -0.57 0.00 0.00 31.44 29.76 1xfx n GLU 585 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1xfx n PHE 586 N -1.09 3.70 -1.70 -0.32 3.01 -1.21 -3.32 117.46 116.54 1xfx n PHE 586 Ca 0.00 -4.05 -0.41 0.00 1.01 0.00 0.00 57.45 54.00 1xfx n PHE 586 Cb 0.00 -0.58 0.01 0.00 -0.01 0.00 0.00 39.48 38.90 1xfx n PHE 586 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1xfx n PRO 587 N 0.59 1.99 -4.36 -1.08 -0.04 -0.81 -4.98 135.00 126.30 1xfx n PRO 587 Ca 0.30 0.71 -0.28 0.00 -0.04 0.00 0.00 63.50 64.19 1xfx n PRO 587 Cb 0.40 -2.36 -0.11 0.00 -0.04 0.00 0.00 33.50 31.39 1xfx n PRO 587 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xfx s GLU 588 N -2.09 1.68 -0.31 0.54 0.41 -1.26 -4.99 118.70 112.67 1xfx s GLU 588 Ca 0.59 -1.37 0.03 0.00 -0.41 0.00 0.00 54.97 53.81 1xfx s GLU 588 Cb -0.53 -1.98 0.08 0.00 -1.78 0.00 0.00 34.13 29.93 1xfx s GLU 588 CO 0.59 0.43 -0.01 0.21 -0.49 0.00 0.00 175.26 176.00 1xfx s LYS 589 N -2.51 1.81 -0.18 1.61 2.20 -1.26 -5.10 119.74 116.31 1xfx s LYS 589 Ca 0.20 -1.66 -0.09 0.00 -0.36 0.00 0.00 55.97 54.06 1xfx s LYS 589 Cb -0.09 -3.10 -0.05 0.00 -1.51 0.00 0.00 37.83 33.08 1xfx s LYS 589 CO 0.11 -0.80 0.12 -0.51 -0.36 0.00 0.00 175.35 173.91 1xfx s ASP 590 N 1.02 6.14 0.03 1.43 1.01 -1.26 -5.01 116.67 120.03 1xfx s ASP 590 Ca 0.03 0.25 -0.25 0.00 0.71 0.00 0.00 52.55 53.29 1xfx s ASP 590 Cb -0.20 -2.06 -0.14 0.00 1.01 0.00 0.00 42.92 41.54 1xfx s ASP 590 CO -0.07 0.23 1.23 0.78 0.21 0.00 0.00 175.17 177.56 1xfx h ASN 591 N 6.31 -0.77 -3.30 0.27 2.35 -1.91 -3.42 115.58 115.10 1xfx h ASN 591 Ca -0.43 0.03 -0.58 0.00 -0.55 0.00 0.00 56.30 54.77 1xfx h ASN 591 Cb 1.17 0.20 -0.07 0.00 0.05 0.00 0.00 38.32 39.67 1xfx h ASN 591 CO 0.71 -0.50 0.39 -1.61 -1.65 0.00 0.00 177.43 174.77 1xfx s GLU 592 N -4.76 4.30 -0.11 0.81 2.02 -1.26 -3.29 118.70 116.41 1xfx s GLU 592 Ca -0.13 1.02 0.04 0.00 0.02 0.00 0.00 54.97 55.92 1xfx s GLU 592 Cb 0.01 -3.57 0.00 0.00 0.10 0.00 0.00 34.13 30.67 1xfx s GLU 592 CO 0.40 -0.32 -0.24 0.42 0.02 0.00 0.00 175.26 175.55 1xfx s ILE 593 N 2.12 2.08 -0.06 -1.63 -1.09 -1.23 -4.28 121.20 117.10 1xfx s ILE 593 Ca 0.38 -1.01 -0.19 0.00 -2.23 0.00 0.00 60.65 57.60 1xfx s ILE 593 Cb -0.17 -1.80 -0.05 0.00 -1.58 0.00 0.00 42.46 38.87 1xfx s ILE 593 CO 0.13 0.56 0.54 0.12 -1.23 0.00 0.00 174.94 175.06 1xfx s PHE 594 N 0.40 3.60 0.04 3.97 5.36 -0.79 -1.34 117.98 129.22 1xfx s PHE 594 Ca -0.17 1.06 0.03 0.00 -0.96 0.00 0.00 56.93 56.89 1xfx s PHE 594 Cb -0.18 -2.59 -0.02 0.00 -0.34 0.00 0.00 43.02 39.90 1xfx s PHE 594 CO 0.08 0.26 -0.11 0.42 -1.46 0.00 0.00 175.22 174.41 1xfx s ILE 595 N 0.22 0.81 -0.37 3.12 1.01 0.19 0.45 121.20 126.63 1xfx s ILE 595 Ca 0.29 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 60.00 1xfx s ILE 595 Cb -0.17 -0.78 0.11 0.00 0.01 0.00 0.00 42.46 41.64 1xfx s ILE 595 CO 0.14 -0.15 0.14 -0.63 0.00 0.00 0.00 174.94 174.43 1xfx s ILE 596 N -1.00 1.55 1.06 2.92 1.01 -0.25 -0.96 121.20 125.53 1xfx s ILE 596 Ca -0.03 -2.13 -0.11 0.00 0.00 0.00 0.00 60.65 58.37 1xfx s ILE 596 Cb -0.08 -2.13 0.23 0.00 0.01 0.00 0.00 42.46 40.48 1xfx s ILE 596 CO 0.01 -0.72 1.08 0.54 0.00 0.00 0.00 174.94 175.85 1xfx s ASN 597 N 0.92 1.78 0.00 3.58 2.20 -1.10 -2.59 114.94 119.73 1xfx s ASN 597 Ca 0.13 1.85 0.05 0.00 -0.94 0.00 0.00 52.86 53.95 1xfx s ASN 597 Cb -0.20 -2.45 0.27 0.00 -2.00 0.00 0.00 41.25 36.87 1xfx s ASN 597 CO -0.12 -3.76 0.99 -0.81 -2.94 0.00 0.00 177.10 170.47 1xfx n PRO 598 N -4.64 0.08 -0.02 3.55 -0.04 -1.26 -1.32 135.00 131.34 1xfx n PRO 598 Ca 0.07 0.22 -0.15 0.00 -0.04 0.00 0.00 63.50 63.60 1xfx n PRO 598 Cb 0.53 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 1xfx n PRO 598 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xfx n GLU 599 N -1.26 0.70 0.00 0.54 -0.58 -1.26 -3.38 120.64 115.39 1xfx n GLU 599 Ca 0.03 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 1xfx n GLU 599 Cb 0.04 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 1xfx n GLU 599 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xfx n GLY 600 N 1.82 1.15 3.77 0.62 0.00 -0.44 -4.83 105.19 107.29 1xfx n GLY 600 Ca -0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 1xfx n GLY 600 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xfx s GLU 601 N 0.00 3.54 0.06 1.61 2.02 -1.26 -4.84 118.70 119.84 1xfx s GLU 601 Ca 0.00 1.64 -0.04 0.00 0.02 0.00 0.00 54.97 56.59 1xfx s GLU 601 Cb 0.00 -2.15 -0.05 0.00 0.10 0.00 0.00 34.13 32.03 1xfx s GLU 601 CO 0.00 -0.70 0.29 -0.06 0.02 0.00 0.00 175.26 174.81 1xfx s PHE 602 N -1.71 3.53 -0.08 1.61 2.99 -1.26 -2.71 117.98 120.35 1xfx s PHE 602 Ca 0.69 0.48 -0.13 0.00 0.00 0.00 0.00 56.93 57.97 1xfx s PHE 602 Cb -0.25 -1.94 0.03 0.00 0.00 0.00 0.00 43.02 40.87 1xfx s PHE 602 CO 0.29 0.55 0.32 0.42 -0.00 0.00 0.00 175.22 176.80 1xfx s ILE 603 N -1.47 0.03 -0.24 0.64 1.01 -0.13 -2.22 121.20 118.82 1xfx s ILE 603 Ca 0.34 -0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.73 1xfx s ILE 603 Cb -0.13 -0.53 0.09 0.00 0.01 0.00 0.00 42.46 41.90 1xfx s ILE 603 CO 0.22 -0.12 0.14 -0.22 0.00 0.00 0.00 174.94 174.96 1xfx s LEU 604 N -0.50 0.33 1.16 2.97 2.96 -1.19 0.56 118.68 124.97 1xfx s LEU 604 Ca -0.06 -0.88 -0.14 0.00 -0.22 0.00 0.00 54.13 52.83 1xfx s LEU 604 Cb -0.04 -0.15 0.28 0.00 0.50 0.00 0.00 46.19 46.78 1xfx s LEU 604 CO 0.02 -0.39 1.03 0.42 -1.32 0.00 0.00 176.35 176.12 1xfx s THR 605 N 2.16 1.94 0.00 3.68 -4.23 -0.45 -3.18 115.64 115.56 1xfx s THR 605 Ca 0.06 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 1xfx s THR 605 Cb -0.16 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.50 1xfx s THR 605 CO -0.24 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 174.13 1xfx n LYS 606 N -4.83 1.23 -4.26 3.99 5.02 -1.26 -3.57 118.16 114.49 1xfx n LYS 606 Ca 0.04 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.19 1xfx n LYS 606 Cb 0.56 -0.90 -0.10 0.00 -0.02 0.00 0.00 35.03 34.57 1xfx n LYS 606 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1xfx s ASN 607 N -1.71 1.68 0.31 4.39 0.01 -1.21 -4.18 114.94 114.24 1xfx s ASN 607 Ca 0.00 -1.07 0.02 0.00 -0.71 0.00 0.00 52.86 51.10 1xfx s ASN 607 Cb 0.00 0.02 0.51 0.00 0.41 0.00 0.00 41.25 42.19 1xfx s ASN 607 CO 0.00 -0.40 1.84 -0.25 -1.51 0.00 0.00 177.10 176.78 1xfx h TRP 608 N 2.73 0.64 0.11 2.20 2.91 -1.80 -0.47 115.95 122.26 1xfx h TRP 608 Ca -0.37 -0.07 -0.01 0.00 1.13 0.00 0.00 58.89 59.58 1xfx h TRP 608 Cb 1.20 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 29.66 1xfx h TRP 608 CO 0.62 0.61 -0.05 0.93 -1.03 0.00 0.00 178.44 179.52 1xfx h GLU 609 N 0.58 -0.14 -0.93 2.65 3.07 -1.94 -1.96 114.58 115.91 1xfx h GLU 609 Ca 0.12 0.01 0.09 0.00 -0.50 0.00 0.00 59.36 59.08 1xfx h GLU 609 Cb 0.36 0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 28.23 1xfx h GLU 609 CO 0.01 0.33 0.57 1.98 -1.40 0.00 0.00 179.01 180.50 1xfx h MET 610 N -0.69 0.95 0.01 2.33 4.05 -1.91 1.15 114.93 120.81 1xfx h MET 610 Ca -0.01 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.35 1xfx h MET 610 Cb 0.53 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 1xfx h MET 610 CO 0.02 0.63 -0.04 1.15 0.23 0.00 0.00 176.91 178.91 1xfx h THR 611 N 0.98 0.91 0.41 -0.77 2.02 -1.10 1.56 112.91 116.91 1xfx h THR 611 Ca 0.43 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.61 1xfx h THR 611 Cb 0.32 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 1xfx h THR 611 CO -0.22 0.00 -0.45 1.23 0.37 0.00 0.00 175.52 176.45 1xfx h GLY 612 N -0.07 -1.06 0.23 2.16 0.00 -0.17 0.39 103.07 104.56 1xfx h GLY 612 Ca 0.01 0.52 0.10 0.00 0.00 0.00 0.00 47.33 47.96 1xfx h GLY 612 CO -0.03 -0.34 0.12 3.21 0.00 0.00 0.00 176.54 179.50 1xfx h ARG 613 N -0.88 0.25 0.23 4.80 3.08 0.15 -0.96 114.38 121.06 1xfx h ARG 613 Ca -0.04 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1xfx h ARG 613 Cb 0.78 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 1xfx h ARG 613 CO -0.08 0.17 -0.34 0.35 -1.07 0.00 0.00 179.97 178.99 1xfx h PHE 614 N 0.26 -0.94 -0.65 3.04 3.57 0.30 -2.08 116.94 120.43 1xfx h PHE 614 Ca 0.30 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.93 1xfx h PHE 614 Cb 0.43 0.38 -0.04 0.00 2.79 0.00 0.00 35.95 39.51 1xfx h PHE 614 CO -0.24 -0.47 0.44 0.82 -2.23 0.00 0.00 178.31 176.63 1xfx h ILE 615 N -0.65 0.85 -0.36 1.41 2.04 0.77 -0.64 117.51 120.93 1xfx h ILE 615 Ca 0.00 -0.13 -0.13 0.00 1.00 0.00 0.00 64.86 65.60 1xfx h ILE 615 Cb 0.62 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1xfx h ILE 615 CO -0.13 0.07 -0.28 -0.33 0.00 0.00 0.00 178.15 177.48 1xfx h GLU 616 N 0.39 0.82 -0.09 2.37 5.08 -0.57 0.56 114.58 123.14 1xfx h GLU 616 Ca 0.31 -0.41 -0.21 0.00 -1.00 0.00 0.00 59.36 58.05 1xfx h GLU 616 Cb 0.68 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.94 1xfx h GLU 616 CO -0.09 1.04 -0.78 -0.22 -1.00 0.00 0.00 179.01 177.96 1xfx h LYS 617 N 0.61 0.69 0.00 2.33 3.64 -0.80 -1.33 116.57 121.71 1xfx h LYS 617 Ca 0.07 -0.62 -0.36 0.00 -1.27 0.00 0.00 60.65 58.46 1xfx h LYS 617 Cb 0.86 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.76 1xfx h LYS 617 CO 0.07 1.23 -2.30 0.09 -2.27 0.00 0.00 179.45 176.27 1xfx n ASN 618 N -4.00 0.32 -0.00 4.20 4.13 -0.31 -4.56 115.26 115.04 1xfx n ASN 618 Ca -0.09 0.05 -0.00 0.00 1.68 0.00 0.00 54.58 56.22 1xfx n ASN 618 Cb 0.75 0.71 -0.00 0.00 -1.54 0.00 0.00 39.78 39.70 1xfx n ASN 618 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1xfx n ILE 619 N -2.84 0.04 -0.15 2.41 5.41 0.12 -4.38 119.36 119.97 1xfx n ILE 619 Ca -0.32 0.31 -0.04 0.00 1.00 0.00 0.00 62.75 63.70 1xfx n ILE 619 Cb 1.13 -1.33 -0.04 0.00 -0.71 0.00 0.00 39.64 38.69 1xfx n ILE 619 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1xfx n THR 620 N -2.55 -0.25 -1.87 1.39 -1.04 0.15 -1.50 114.28 108.61 1xfx n THR 620 Ca -0.00 1.34 -0.36 0.00 -2.04 0.00 0.00 64.05 62.99 1xfx n THR 620 Cb 0.01 -1.70 0.04 0.00 -1.82 0.00 0.00 70.33 66.86 1xfx n THR 620 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xfx n GLY 621 N -1.09 5.73 0.00 3.41 0.00 -0.50 -4.73 105.19 108.00 1xfx n GLY 621 Ca 0.01 -2.49 0.00 0.00 0.00 0.00 0.00 46.02 43.53 1xfx n GLY 621 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xfx n LYS 622 N -0.63 0.82 -2.77 1.61 3.00 -0.56 -4.91 118.16 114.72 1xfx n LYS 622 Ca 0.53 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 58.45 1xfx n LYS 622 Cb 0.44 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.47 1xfx n LYS 622 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1xfx n ASP 623 N -0.68 6.75 -4.23 3.14 8.00 -1.26 -4.94 116.55 123.32 1xfx n ASP 623 Ca 0.00 -3.62 -0.24 0.00 0.71 0.00 0.00 54.79 51.64 1xfx n ASP 623 Cb 0.00 -1.11 -0.13 0.00 -0.02 0.00 0.00 41.12 39.86 1xfx n ASP 623 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1xfx s TYR 624 N -3.86 1.65 -0.06 1.24 1.51 -1.25 -1.67 117.35 114.92 1xfx s TYR 624 Ca 0.38 -0.39 -0.26 0.00 -1.01 0.00 0.00 57.07 55.80 1xfx s TYR 624 Cb 0.17 -0.96 -0.03 0.00 -0.11 0.00 0.00 41.96 41.03 1xfx s TYR 624 CO -0.08 0.11 0.80 -1.17 -1.11 0.00 0.00 175.55 174.10 1xfx s LEU 625 N -1.41 4.32 -0.17 -1.29 2.96 -0.52 -4.64 118.68 117.92 1xfx s LEU 625 Ca 0.05 1.33 -0.16 0.00 -0.22 0.00 0.00 54.13 55.13 1xfx s LEU 625 Cb -0.09 -3.24 0.05 0.00 0.50 0.00 0.00 46.19 43.40 1xfx s LEU 625 CO 0.02 -0.19 0.46 -0.47 -1.32 0.00 0.00 176.35 174.86 1xfx s TYR 626 N 1.01 -0.52 0.12 5.38 5.04 -1.26 -3.95 117.35 123.19 1xfx s TYR 626 Ca 0.42 1.25 0.05 0.00 -2.44 0.00 0.00 57.07 56.35 1xfx s TYR 626 Cb -0.19 0.18 -0.04 0.00 0.35 0.00 0.00 41.96 42.27 1xfx s TYR 626 CO 0.20 -0.25 -0.13 1.52 -1.34 0.00 0.00 175.55 175.56 1xfx s TYR 627 N 0.28 1.33 0.20 4.97 -0.85 -1.26 -5.03 117.35 116.99 1xfx s TYR 627 Ca -0.00 -0.60 0.11 0.00 -0.52 0.00 0.00 57.07 56.06 1xfx s TYR 627 Cb -0.03 -0.69 -0.04 0.00 0.38 0.00 0.00 41.96 41.57 1xfx s TYR 627 CO 0.00 0.12 -0.23 -0.59 -1.52 0.00 0.00 175.55 173.33 1xfx s PHE 628 N -2.39 2.32 -0.45 -3.49 -0.12 -1.26 -4.99 117.98 107.60 1xfx s PHE 628 Ca 0.10 -0.35 -0.41 0.00 -0.05 0.00 0.00 56.93 56.22 1xfx s PHE 628 Cb -0.03 -1.14 -0.18 0.00 -0.63 0.00 0.00 43.02 41.04 1xfx s PHE 628 CO 0.02 0.51 1.69 -1.71 -0.05 0.00 0.00 175.22 175.68 1xfx n ASN 629 N 0.23 0.88 0.26 1.98 4.05 -1.21 -4.77 115.26 116.67 1xfx n ASN 629 Ca -0.12 0.84 0.16 0.00 0.45 0.00 0.00 54.58 55.91 1xfx n ASN 629 Cb 0.56 -0.80 0.74 0.00 1.23 0.00 0.00 39.78 41.51 1xfx n ASN 629 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 177.26 174.24 1xfx h ARG 630 N 6.34 0.00 -0.43 1.20 2.47 -1.96 -0.03 114.38 121.97 1xfx h ARG 630 Ca -0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.48 1xfx h ARG 630 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 1xfx h ARG 630 CO 0.93 0.00 0.00 0.43 0.56 0.00 0.00 179.97 181.89 1xfx n SER 631 N -3.10 2.07 -4.75 7.04 7.64 -1.26 -4.82 113.62 116.44 1xfx n SER 631 Ca 0.01 -2.08 -0.40 0.00 1.01 0.00 0.00 58.87 57.41 1xfx n SER 631 Cb 0.51 -0.30 -0.06 0.00 -1.01 0.00 0.00 64.21 63.36 1xfx n SER 631 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1xfx s TYR 632 N -1.60 3.91 0.00 1.43 4.12 -0.03 -3.02 117.35 122.16 1xfx s TYR 632 Ca 0.23 1.79 0.00 0.00 0.02 0.00 0.00 57.07 59.11 1xfx s TYR 632 Cb 0.13 -2.93 0.00 0.00 -1.52 0.00 0.00 41.96 37.64 1xfx s TYR 632 CO 0.14 0.40 0.00 0.09 0.02 0.00 0.00 175.55 176.20 1xfx n ASN 633 N 1.93 -1.84 -1.32 2.29 3.02 -0.34 -4.89 115.26 114.11 1xfx n ASN 633 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1xfx n ASN 633 Cb 0.48 -1.24 0.00 0.00 -0.61 0.00 0.00 39.78 38.41 1xfx n ASN 633 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1xfx n LYS 634 N -1.78 2.54 -3.69 3.52 5.02 -1.17 -5.01 118.16 117.59 1xfx n LYS 634 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 1xfx n LYS 634 Cb 0.08 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.99 1xfx n LYS 634 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1xfx n ILE 635 N -0.09 1.12 -1.13 -0.18 -0.00 -1.26 -4.33 119.36 113.49 1xfx n ILE 635 Ca 0.00 -4.62 -0.49 0.00 -0.00 0.00 0.00 62.75 57.64 1xfx n ILE 635 Cb 0.00 -2.06 -0.09 0.00 -0.00 0.00 0.00 39.64 37.49 1xfx n ILE 635 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1xfx n ALA 636 N 1.89 -0.34 -0.02 -1.39 0.00 -0.93 -4.62 120.51 115.10 1xfx n ALA 636 Ca 0.24 0.25 -0.05 0.00 0.00 0.00 0.00 53.44 53.87 1xfx n ALA 636 Cb 0.39 -1.56 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 1xfx n ALA 636 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xfx h PRO 637 N 5.68 -0.17 0.00 0.00 0.11 -1.82 0.94 132.00 136.74 1xfx h PRO 637 Ca -0.19 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1xfx h PRO 637 Cb 1.08 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1xfx h PRO 637 CO 0.81 -0.11 0.00 0.41 -0.21 0.00 0.00 178.00 178.90 1xfx n GLY 638 N -1.14 -1.76 0.75 -0.55 0.00 -1.21 -0.85 105.19 100.42 1xfx n GLY 638 Ca -0.02 0.37 0.11 0.00 0.00 0.00 0.00 46.02 46.48 1xfx n GLY 638 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xfx n ASN 639 N -1.26 2.24 -4.00 1.61 2.04 -1.24 -4.94 115.26 109.70 1xfx n ASN 639 Ca 0.00 -1.81 -0.26 0.00 -0.44 0.00 0.00 54.58 52.06 1xfx n ASN 639 Cb 0.00 -0.15 -0.03 0.00 -2.53 0.00 0.00 39.78 37.07 1xfx n ASN 639 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1xfx n LYS 640 N 0.70 -3.16 -4.38 -3.83 5.02 0.32 -4.95 118.16 107.89 1xfx n LYS 640 Ca 0.17 0.38 -0.32 0.00 -2.02 0.00 0.00 58.31 56.53 1xfx n LYS 640 Cb 0.42 -4.52 -0.10 0.00 -0.02 0.00 0.00 35.03 30.81 1xfx n LYS 640 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xfx s ALA 641 N -3.93 3.06 -0.39 7.82 0.00 -1.01 -4.86 121.76 122.45 1xfx s ALA 641 Ca 0.06 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.90 1xfx s ALA 641 Cb -0.03 -1.12 0.07 0.00 0.00 0.00 0.00 23.12 22.03 1xfx s ALA 641 CO 0.90 0.63 0.20 -0.47 0.00 0.00 0.00 175.76 177.02 1xfx s TYR 642 N -1.07 3.35 -0.27 0.00 5.04 -1.26 -2.19 117.35 120.96 1xfx s TYR 642 Ca 0.19 -1.65 -0.03 0.00 -2.44 0.00 0.00 57.07 53.14 1xfx s TYR 642 Cb -0.11 -2.80 0.02 0.00 0.35 0.00 0.00 41.96 39.42 1xfx s TYR 642 CO 0.10 -0.84 -0.02 0.42 -1.34 0.00 0.00 175.55 173.87 1xfx s ILE 643 N 1.37 3.16 0.30 3.14 1.01 -1.26 -4.97 121.20 123.95 1xfx s ILE 643 Ca 0.02 -0.98 -0.28 0.00 0.00 0.00 0.00 60.65 59.41 1xfx s ILE 643 Cb -0.22 -2.63 -0.09 0.00 0.01 0.00 0.00 42.46 39.53 1xfx s ILE 643 CO 0.01 0.14 1.02 -0.70 0.00 0.00 0.00 174.94 175.41 1xfx s GLU 644 N 1.36 4.61 -0.25 2.79 2.12 -1.26 -1.20 118.70 126.86 1xfx s GLU 644 Ca 0.00 1.59 -0.10 0.00 0.36 0.00 0.00 54.97 56.82 1xfx s GLU 644 Cb -0.17 -3.04 0.10 0.00 0.26 0.00 0.00 34.13 31.28 1xfx s GLU 644 CO -0.02 0.25 0.56 -0.46 -0.54 0.00 0.00 175.26 175.04 1xfx s TRP 645 N -1.33 -1.06 -0.24 5.30 -0.11 -1.26 -4.89 118.94 115.35 1xfx s TRP 645 Ca 0.47 1.95 -0.39 0.00 1.22 0.00 0.00 56.10 59.35 1xfx s TRP 645 Cb -0.26 0.57 -0.15 0.00 -1.50 0.00 0.00 33.47 32.13 1xfx s TRP 645 CO 0.33 -0.56 1.79 0.25 -4.62 0.00 0.00 176.95 174.14 1xfx n THR 646 N 5.13 0.37 -4.02 5.86 -2.24 -1.26 -4.85 114.28 113.28 1xfx n THR 646 Ca -0.13 -0.07 -0.33 0.00 -2.27 0.00 0.00 64.05 61.25 1xfx n THR 646 Cb 0.51 -1.38 -0.15 0.00 -2.10 0.00 0.00 70.33 67.22 1xfx n THR 646 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xfx s ASP 647 N 3.74 4.62 0.30 3.42 3.68 -1.26 -5.00 116.67 126.17 1xfx s ASP 647 Ca 0.97 -1.53 0.05 0.00 2.13 0.00 0.00 52.55 54.17 1xfx s ASP 647 Cb -0.99 -1.61 0.77 0.00 -1.45 0.00 0.00 42.92 39.65 1xfx s ASP 647 CO 0.63 -0.25 1.71 -0.65 0.13 0.00 0.00 175.17 176.73 1xfx h PRO 648 N 7.80 0.44 -0.50 4.34 0.11 -2.00 0.52 132.00 142.70 1xfx h PRO 648 Ca -0.17 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.96 1xfx h PRO 648 Cb 1.04 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.01 1xfx h PRO 648 CO 0.49 0.29 0.27 0.82 -0.21 0.00 0.00 178.00 179.66 1xfx h ILE 649 N 0.45 0.98 -0.48 4.15 2.04 -1.99 -1.06 117.51 121.59 1xfx h ILE 649 Ca 0.58 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 66.23 1xfx h ILE 649 Cb 1.10 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1xfx h ILE 649 CO -0.51 0.10 0.16 0.74 0.00 0.00 0.00 178.15 178.63 1xfx h THR 650 N 0.52 1.19 -0.69 -0.27 2.02 -1.35 -2.69 112.91 111.64 1xfx h THR 650 Ca 0.22 -0.65 0.13 0.00 0.77 0.00 0.00 66.41 66.87 1xfx h THR 650 Cb 0.10 0.66 -0.13 0.00 -1.74 0.00 0.00 68.15 67.04 1xfx h THR 650 CO -0.14 0.25 -0.30 0.50 0.37 0.00 0.00 175.52 176.20 1xfx h LYS 651 N 0.70 -0.09 -0.00 6.66 1.63 -0.46 0.11 116.57 125.12 1xfx h LYS 651 Ca 0.16 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1xfx h LYS 651 Cb 0.20 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1xfx h LYS 651 CO -0.01 -0.06 0.00 0.00 -3.45 0.00 0.00 179.45 175.93 1xfx n ALA 652 N -3.22 2.68 -0.13 5.00 0.00 -1.03 -4.14 120.51 119.65 1xfx n ALA 652 Ca 0.07 -0.23 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 1xfx n ALA 652 Cb 0.37 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.33 1xfx n ALA 652 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1xfx h LYS 653 N 0.27 0.60 -1.01 0.00 3.64 -0.55 -2.80 116.57 116.72 1xfx h LYS 653 Ca 0.00 -0.12 0.25 0.00 -1.27 0.00 0.00 60.65 59.50 1xfx h LYS 653 Cb 0.06 -0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 31.70 1xfx h LYS 653 CO 0.00 0.60 0.66 0.82 -2.27 0.00 0.00 179.45 179.25 1xfx h ILE 654 N 0.49 0.57 -0.57 2.00 2.04 -1.72 0.79 117.51 121.10 1xfx h ILE 654 Ca 0.13 -0.14 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 1xfx h ILE 654 Cb 0.24 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.40 1xfx h ILE 654 CO -0.01 0.07 0.10 0.59 0.00 0.00 0.00 178.15 178.91 1xfx n ASN 655 N -4.59 4.94 -4.06 1.72 5.03 -1.06 -4.36 115.26 112.89 1xfx n ASN 655 Ca 0.24 -2.92 -0.28 0.00 0.87 0.00 0.00 54.58 52.48 1xfx n ASN 655 Cb 0.83 -0.69 -0.17 0.00 -1.02 0.00 0.00 39.78 38.73 1xfx n ASN 655 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1xfx s THR 656 N -2.62 1.48 0.33 3.41 2.01 0.27 -3.90 115.64 116.62 1xfx s THR 656 Ca 0.49 -0.64 -0.29 0.00 0.31 0.00 0.00 61.69 61.56 1xfx s THR 656 Cb 0.38 -1.36 -0.10 0.00 0.01 0.00 0.00 72.50 71.43 1xfx s THR 656 CO 0.13 0.44 1.37 -0.51 -0.69 0.00 0.00 174.62 175.36 1xfx s ILE 657 N 0.97 2.54 0.94 1.82 2.07 -1.26 -4.74 121.20 123.53 1xfx s ILE 657 Ca -0.07 0.53 -0.12 0.00 -1.41 0.00 0.00 60.65 59.58 1xfx s ILE 657 Cb -0.15 -3.34 0.15 0.00 0.13 0.00 0.00 42.46 39.26 1xfx s ILE 657 CO -0.01 0.12 1.10 -2.16 -1.91 0.00 0.00 174.94 172.08 1xfx s PRO 658 N -1.62 0.93 0.38 3.50 0.04 -1.26 -5.04 135.00 131.93 1xfx s PRO 658 Ca 0.52 0.60 0.07 0.00 0.04 0.00 0.00 61.00 62.23 1xfx s PRO 658 Cb -0.42 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1xfx s PRO 658 CO 0.54 -2.41 0.52 0.95 0.04 0.00 0.00 177.00 176.64 1xfx s THR 659 N -3.01 3.43 0.13 1.26 -4.23 -1.26 -4.88 115.64 107.08 1xfx s THR 659 Ca 0.64 -1.01 -0.28 0.00 -1.18 0.00 0.00 61.69 59.86 1xfx s THR 659 Cb -0.18 -3.16 -0.04 0.00 1.34 0.00 0.00 72.50 70.46 1xfx s THR 659 CO 0.57 -0.06 1.59 -1.28 -0.54 0.00 0.00 174.62 174.89 1xfx h SER 660 N 0.76 -1.27 -0.20 3.99 0.87 -1.90 0.11 113.55 115.91 1xfx h SER 660 Ca -0.42 0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.29 1xfx h SER 660 Cb 1.27 0.52 -0.01 0.00 -0.44 0.00 0.00 62.40 63.75 1xfx h SER 660 CO 0.48 -0.41 0.04 0.00 -0.53 0.00 0.00 176.83 176.41 1xfx h ALA 661 N 0.20 0.26 -0.06 6.23 0.00 -1.95 0.17 119.26 124.11 1xfx h ALA 661 Ca 0.08 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1xfx h ALA 661 Cb 0.61 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xfx h ALA 661 CO -0.40 -0.08 0.17 1.49 0.00 0.00 0.00 179.25 180.42 1xfx h GLU 662 N 0.12 0.00 0.00 0.00 4.81 -1.86 0.12 114.58 117.78 1xfx h GLU 662 Ca 0.06 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1xfx h GLU 662 Cb 0.29 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1xfx h GLU 662 CO 0.00 0.00 -0.20 0.35 -0.73 0.00 0.00 179.01 178.43 1xfx h PHE 663 N 0.00 0.00 -0.80 0.92 3.57 -0.13 -3.13 116.94 117.38 1xfx h PHE 663 Ca 0.03 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.71 1xfx h PHE 663 Cb 0.36 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 1xfx h PHE 663 CO 0.00 0.22 0.54 0.82 -2.23 0.00 0.00 178.31 177.66 1xfx h ILE 664 N -1.00 0.72 0.45 1.41 2.04 -0.57 -2.08 117.51 118.48 1xfx h ILE 664 Ca -0.02 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1xfx h ILE 664 Cb 0.33 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1xfx h ILE 664 CO -0.01 0.06 -0.26 0.11 0.00 0.00 0.00 178.15 178.05 1xfx h LYS 665 N 0.33 -0.63 -0.04 2.37 6.56 -0.89 -1.71 116.57 122.56 1xfx h LYS 665 Ca 0.40 0.04 0.01 0.00 -1.06 0.00 0.00 60.65 60.04 1xfx h LYS 665 Cb 1.07 0.14 -0.00 0.00 -0.57 0.00 0.00 32.23 32.87 1xfx h LYS 665 CO -0.12 -0.42 0.48 -0.91 -2.06 0.00 0.00 179.45 176.42 1xfx h ASN 666 N -0.66 0.00 0.12 0.86 -0.26 -1.32 0.79 115.58 115.11 1xfx h ASN 666 Ca -0.06 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.67 1xfx h ASN 666 Cb 0.52 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.78 1xfx h ASN 666 CO 0.07 0.00 -0.06 -0.07 -1.06 0.00 0.00 177.43 176.31 1xfx h LEU 667 N 0.00 -0.14 -0.93 1.61 3.38 -1.11 -3.14 115.31 114.98 1xfx h LEU 667 Ca 0.02 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.19 1xfx h LEU 667 Cb 0.97 0.04 -0.18 0.00 0.09 0.00 0.00 40.66 41.58 1xfx h LEU 667 CO -0.00 0.15 -0.21 -0.24 0.09 0.00 0.00 178.44 178.24 1xfx n SER 668 N -3.85 -0.31 0.00 -0.43 2.88 0.05 -1.45 113.62 110.50 1xfx n SER 668 Ca -0.02 1.60 0.00 0.00 -1.33 0.00 0.00 58.87 59.11 1xfx n SER 668 Cb 0.06 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 1xfx n SER 668 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1xfx n SER 669 N -5.50 0.00 -0.24 -3.46 2.88 0.05 -1.84 113.62 105.50 1xfx n SER 669 Ca 0.16 0.85 0.05 0.00 -1.33 0.00 0.00 58.87 58.59 1xfx n SER 669 Cb 0.49 -0.35 0.17 0.00 -0.75 0.00 0.00 64.21 63.77 1xfx n SER 669 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1xfx h ILE 670 N 0.00 0.47 -0.60 2.46 2.04 -1.20 0.75 117.51 121.44 1xfx h ILE 670 Ca 0.00 -0.07 0.09 0.00 1.00 0.00 0.00 64.86 65.88 1xfx h ILE 670 Cb 0.00 0.24 -0.11 0.00 -0.74 0.00 0.00 36.82 36.21 1xfx h ILE 670 CO 0.00 0.04 -0.43 -0.09 0.00 0.00 0.00 178.15 177.67 1xfx h ARG 671 N 0.21 -0.20 -0.43 2.37 2.43 -1.02 0.93 114.38 118.68 1xfx h ARG 671 Ca 0.41 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1xfx h ARG 671 Cb 0.70 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1xfx h ARG 671 CO -0.55 -0.14 0.00 -2.13 -1.51 0.00 0.00 179.97 175.65 1xfx n ARG 672 N -5.41 0.47 0.00 0.20 0.00 0.25 -3.22 116.66 108.95 1xfx n ARG 672 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 1xfx n ARG 672 Cb 0.35 -1.21 0.00 0.00 0.00 0.00 0.00 32.46 31.60 1xfx n ARG 672 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1xfx n SER 673 N 0.19 0.00 -4.43 6.15 2.88 0.31 -4.89 113.62 113.83 1xfx n SER 673 Ca 0.00 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.10 1xfx n SER 673 Cb 0.11 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.53 1xfx n SER 673 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1xfx s SER 674 N -2.61 6.38 0.00 -3.46 1.04 -0.38 -4.88 113.70 109.79 1xfx s SER 674 Ca 0.00 -1.59 0.00 0.00 0.48 0.00 0.00 55.95 54.84 1xfx s SER 674 Cb 0.00 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.75 1xfx s SER 674 CO 0.00 -1.18 0.31 0.59 0.98 0.00 0.00 173.24 173.94 1xfx n ASN 675 N 6.74 0.00 -4.69 7.02 3.02 -1.20 -4.44 115.26 121.71 1xfx n ASN 675 Ca 0.06 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.20 1xfx n ASN 675 Cb 0.46 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.59 1xfx n ASN 675 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1xfx s VAL 676 N -1.25 4.91 0.38 2.41 -7.23 -1.26 -4.84 120.40 113.52 1xfx s VAL 676 Ca 0.00 1.68 -0.00 0.00 -1.81 0.00 0.00 61.98 61.85 1xfx s VAL 676 Cb 0.00 -4.15 -0.03 0.00 0.56 0.00 0.00 36.38 32.76 1xfx s VAL 676 CO 0.00 0.10 0.59 -0.83 -0.31 0.00 0.00 175.10 174.66 1xfx s GLY 677 N 1.03 1.39 0.25 2.32 0.00 -1.26 -4.44 107.32 106.60 1xfx s GLY 677 Ca 0.41 -0.89 -0.13 0.00 0.00 0.00 0.00 44.72 44.11 1xfx s GLY 677 CO 0.17 -0.80 1.57 -2.08 0.00 0.00 0.00 173.10 171.96 1xfx h VAL 678 N 0.64 0.06 -4.26 1.40 2.07 -1.97 -3.38 116.25 110.81 1xfx h VAL 678 Ca -0.49 0.00 -0.60 0.00 0.82 0.00 0.00 66.70 66.44 1xfx h VAL 678 Cb 1.22 0.06 -0.30 0.00 -1.52 0.00 0.00 31.29 30.75 1xfx h VAL 678 CO 0.61 0.00 -0.85 -0.72 0.02 0.00 0.00 177.57 176.63 1xfx s TYR 679 N -6.13 1.84 0.10 1.57 -0.85 -1.26 -4.90 117.35 107.72 1xfx s TYR 679 Ca -0.14 -0.41 0.01 0.00 -0.52 0.00 0.00 57.07 56.00 1xfx s TYR 679 Cb 0.23 -1.20 -0.04 0.00 0.38 0.00 0.00 41.96 41.33 1xfx s TYR 679 CO 0.74 -0.08 0.24 0.21 -1.52 0.00 0.00 175.55 175.15 1xfx s LYS 680 N -0.32 3.45 -0.95 -3.49 2.20 -1.26 -5.02 119.74 114.34 1xfx s LYS 680 Ca 0.04 -0.49 -0.23 0.00 -0.36 0.00 0.00 55.97 54.93 1xfx s LYS 680 Cb -0.09 -3.01 0.05 0.00 -1.51 0.00 0.00 37.83 33.28 1xfx s LYS 680 CO 0.00 0.57 1.38 0.34 -0.36 0.00 0.00 175.35 177.29 1xfx s ASP 681 N -2.78 6.44 0.00 1.43 2.15 -1.26 -4.81 116.67 117.84 1xfx s ASP 681 Ca 0.35 -1.29 0.00 0.00 0.43 0.00 0.00 52.55 52.04 1xfx s ASP 681 Cb -0.12 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1xfx s ASP 681 CO 0.28 -1.54 0.00 -1.54 -0.17 0.00 0.00 175.17 172.20 1xfx n SER 682 N 8.78 0.00 -0.00 -0.34 3.41 -1.26 -5.08 113.62 119.13 1xfx n SER 682 Ca 0.26 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.89 1xfx n SER 682 Cb 0.50 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 1xfx n SER 682 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xfx n GLY 683 N 0.00 0.15 3.56 5.00 0.00 -1.26 -4.96 105.19 107.68 1xfx n GLY 683 Ca 0.00 -0.15 -0.52 0.00 0.00 0.00 0.00 46.02 45.35 1xfx n GLY 683 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xfx n ASP 684 N -1.38 2.41 0.00 1.61 5.75 -1.26 -4.67 116.55 119.00 1xfx n ASP 684 Ca 0.00 0.70 0.02 0.00 -0.01 0.00 0.00 54.79 55.49 1xfx n ASP 684 Cb 0.11 -1.24 0.10 0.00 -1.03 0.00 0.00 41.12 39.07 1xfx n ASP 684 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1xfx n LYS 685 N 7.16 0.18 -0.01 0.11 4.76 -1.26 -0.09 118.16 129.00 1xfx n LYS 685 Ca 0.34 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.67 1xfx n LYS 685 Cb 0.21 -1.30 -0.14 0.00 -1.84 0.00 0.00 35.03 31.96 1xfx n LYS 685 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1xfx n ASP 686 N -0.80 1.18 0.33 4.39 10.43 -1.26 -3.04 116.55 127.78 1xfx n ASP 686 Ca 0.03 0.38 -0.13 0.00 2.57 0.00 0.00 54.79 57.63 1xfx n ASP 686 Cb 0.01 -0.27 -0.06 0.00 1.84 0.00 0.00 41.12 42.64 1xfx n ASP 686 CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 1xfx h GLU 687 N 0.02 -0.82 -1.01 -1.24 4.57 -0.84 -2.23 114.58 113.03 1xfx h GLU 687 Ca -0.31 0.06 0.24 0.00 -1.18 0.00 0.00 59.36 58.17 1xfx h GLU 687 Cb 2.02 0.19 -0.09 0.00 -0.16 0.00 0.00 28.75 30.70 1xfx h GLU 687 CO 0.08 -0.55 0.64 0.35 -1.18 0.00 0.00 179.01 178.36 1xfx h PHE 688 N -1.07 0.74 -0.01 0.92 -0.00 -1.73 0.82 116.94 116.61 1xfx h PHE 688 Ca -0.09 0.02 0.03 0.00 -0.00 0.00 0.00 57.97 57.94 1xfx h PHE 688 Cb 0.65 -0.22 -0.05 0.00 -0.00 0.00 0.00 35.95 36.34 1xfx h PHE 688 CO 0.03 0.10 -0.32 0.00 -0.00 0.00 0.00 178.31 178.12 1xfx h ALA 689 N 1.63 -0.46 0.12 2.41 0.00 -1.41 0.24 119.26 121.79 1xfx h ALA 689 Ca 0.58 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.49 1xfx h ALA 689 Cb 1.34 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 1xfx h ALA 689 CO -0.31 -0.83 -0.17 0.87 0.00 0.00 0.00 179.25 178.81 1xfx h LYS 690 N -0.46 -0.34 -0.06 0.00 1.57 0.11 0.11 116.57 117.50 1xfx h LYS 690 Ca 0.06 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1xfx h LYS 690 Cb 0.55 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 1xfx h LYS 690 CO -0.27 -0.22 -0.35 -0.22 -0.57 0.00 0.00 179.45 177.82 1xfx h LYS 691 N -0.35 -0.38 -1.21 3.15 3.64 -0.33 0.19 116.57 121.28 1xfx h LYS 691 Ca 0.02 0.03 0.35 0.00 -1.27 0.00 0.00 60.65 59.78 1xfx h LYS 691 Cb 0.36 0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.17 1xfx h LYS 691 CO -0.08 -0.26 0.80 1.49 -2.27 0.00 0.00 179.45 179.13 1xfx h GLU 692 N -0.40 0.19 0.01 1.90 4.57 -0.34 -0.06 114.58 120.45 1xfx h GLU 692 Ca 0.02 -0.01 -0.20 0.00 -1.18 0.00 0.00 59.36 57.98 1xfx h GLU 692 Cb 0.45 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.97 1xfx h GLU 692 CO -0.27 0.13 -0.95 1.03 -1.18 0.00 0.00 179.01 177.77 1xfx h SER 693 N 0.20 0.03 0.25 1.04 0.87 0.19 -2.82 113.55 113.30 1xfx h SER 693 Ca 0.68 -0.03 -0.32 0.00 -1.23 0.00 0.00 61.79 60.89 1xfx h SER 693 Cb 2.11 -0.01 0.03 0.00 -0.44 0.00 0.00 62.40 64.10 1xfx h SER 693 CO -0.27 0.96 -1.39 -0.37 -0.53 0.00 0.00 176.83 175.23 1xfx h VAL 694 N 0.01 1.30 -0.22 2.23 -1.51 0.66 -2.72 116.25 116.00 1xfx h VAL 694 Ca -0.02 -2.65 0.06 0.00 -1.23 0.00 0.00 66.70 62.86 1xfx h VAL 694 Cb 1.67 2.93 -0.01 0.00 -2.13 0.00 0.00 31.29 33.75 1xfx h VAL 694 CO 0.13 0.80 0.34 0.50 -1.23 0.00 0.00 177.57 178.10 1xfx h LYS 695 N 0.18 0.00 0.08 5.19 3.64 -1.10 0.61 116.57 125.18 1xfx h LYS 695 Ca -0.23 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 58.88 1xfx h LYS 695 Cb 2.08 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.91 1xfx h LYS 695 CO 0.26 0.00 -1.14 0.87 -2.27 0.00 0.00 179.45 177.17 1xfx h LYS 696 N 0.00 0.48 -0.12 1.90 1.57 -1.22 -3.25 116.57 115.92 1xfx h LYS 696 Ca 0.10 -0.62 -0.07 0.00 -1.87 0.00 0.00 60.65 58.19 1xfx h LYS 696 Cb 0.78 0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 1xfx h LYS 696 CO -0.00 1.25 -0.19 0.82 -0.57 0.00 0.00 179.45 180.76 1xfx h ILE 697 N 0.22 1.37 0.00 1.86 2.04 0.26 -2.61 117.51 120.64 1xfx h ILE 697 Ca -0.14 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.29 1xfx h ILE 697 Cb 1.81 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.90 1xfx h ILE 697 CO 0.21 0.42 0.00 0.00 0.00 0.00 0.00 178.15 178.77 1xfx n ALA 698 N -2.45 1.54 0.02 1.87 0.00 0.77 -1.45 120.51 120.81 1xfx n ALA 698 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1xfx n ALA 698 Cb 0.40 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1xfx n ALA 698 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xfx n GLY 699 N 0.48 -0.03 0.45 0.00 0.00 -1.03 -4.43 105.19 100.62 1xfx n GLY 699 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1xfx n GLY 699 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1xfx h TYR 700 N 0.00 -1.21 -1.01 1.61 0.99 -0.89 0.28 116.97 116.73 1xfx h TYR 700 Ca 0.00 0.01 0.24 0.00 2.00 0.00 0.00 58.73 60.98 1xfx h TYR 700 Cb 0.51 0.47 -0.12 0.00 1.00 0.00 0.00 36.73 38.60 1xfx h TYR 700 CO 0.00 -0.61 0.61 -0.07 -0.00 0.00 0.00 178.16 178.09 1xfx h LEU 701 N -0.91 0.66 -0.98 3.88 3.38 -1.60 0.63 115.31 120.37 1xfx h LEU 701 Ca -0.05 0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1xfx h LEU 701 Cb 0.80 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1xfx h LEU 701 CO -0.06 0.13 -0.25 -1.28 0.09 0.00 0.00 178.44 177.07 1xfx h SER 702 N 0.58 0.44 0.57 -0.43 0.87 -1.36 -2.86 113.55 111.36 1xfx h SER 702 Ca 0.63 -0.15 -0.17 0.00 -1.23 0.00 0.00 61.79 60.87 1xfx h SER 702 Cb 1.22 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 1xfx h SER 702 CO -0.44 0.69 -0.76 0.44 -0.53 0.00 0.00 176.83 176.24 1xfx h ASP 703 N 0.39 0.17 -0.22 6.23 3.45 0.37 -3.24 116.42 123.58 1xfx h ASP 703 Ca 0.06 -0.12 0.06 0.00 0.43 0.00 0.00 57.03 57.45 1xfx h ASP 703 Cb 0.65 -0.05 -0.07 0.00 -0.56 0.00 0.00 39.33 39.30 1xfx h ASP 703 CO 0.05 0.86 -0.30 0.22 -1.57 0.00 0.00 179.24 178.50 1xfx h TYR 704 N 0.09 -0.82 -1.10 4.55 3.20 -0.60 -3.02 116.97 119.27 1xfx h TYR 704 Ca -0.02 0.04 -0.74 0.00 3.14 0.00 0.00 58.73 61.15 1xfx h TYR 704 Cb 1.33 0.39 -0.13 0.00 1.54 0.00 0.00 36.73 39.86 1xfx h TYR 704 CO 0.02 -0.37 2.25 0.66 -1.64 0.00 0.00 178.16 179.07 1xfx n TYR 705 N -5.40 3.19 -3.97 -3.82 4.02 -1.22 -4.96 117.16 105.00 1xfx n TYR 705 Ca -0.02 -2.86 -0.36 0.00 -0.01 0.00 0.00 57.90 54.66 1xfx n TYR 705 Cb 0.32 -2.10 -0.07 0.00 -0.02 0.00 0.00 39.34 37.46 1xfx n TYR 705 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1xfx s ASN 706 N 1.52 6.08 0.00 7.72 3.84 -1.15 -4.98 114.94 127.98 1xfx s ASN 706 Ca 0.42 0.35 0.20 0.00 0.21 0.00 0.00 52.86 54.04 1xfx s ASN 706 Cb 0.10 -1.95 0.76 0.00 -0.55 0.00 0.00 41.25 39.61 1xfx s ASN 706 CO -0.02 0.36 1.55 -1.20 -2.79 0.00 0.00 177.10 175.00 1xfx n SER 707 N 2.30 1.55 -0.69 -4.21 7.64 -1.26 -2.77 113.62 116.18 1xfx n SER 707 Ca -0.19 -1.70 0.12 0.00 1.01 0.00 0.00 58.87 58.11 1xfx n SER 707 Cb 0.54 -0.10 0.15 0.00 -1.01 0.00 0.00 64.21 63.79 1xfx n SER 707 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xfx n ALA 708 N 0.25 2.88 0.30 -0.43 0.00 -1.26 -4.05 120.51 118.20 1xfx n ALA 708 Ca 0.16 -0.62 0.03 0.00 0.00 0.00 0.00 53.44 53.00 1xfx n ALA 708 Cb 0.31 -0.88 0.15 0.00 0.00 0.00 0.00 19.45 19.03 1xfx n ALA 708 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xfx n ASN 709 N 0.59 0.00 0.09 0.00 5.03 -1.12 -2.39 115.26 117.47 1xfx n ASN 709 Ca 0.13 -0.05 -0.14 0.00 0.87 0.00 0.00 54.58 55.39 1xfx n ASN 709 Cb 0.51 -0.09 -0.10 0.00 -1.02 0.00 0.00 39.78 39.08 1xfx n ASN 709 CO 0.00 0.00 0.00 1.12 -1.83 0.00 0.00 177.26 176.55 1xfx h HIS 710 N 0.00 0.45 0.00 3.10 2.07 -1.84 -3.16 115.15 115.77 1xfx h HIS 710 Ca 0.00 -0.30 0.00 0.00 -2.85 0.00 0.00 60.37 57.22 1xfx h HIS 710 Cb 0.01 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 29.97 1xfx h HIS 710 CO 0.00 1.19 0.00 0.44 -3.07 0.00 0.00 177.93 176.49 1xfx n ILE 711 N -3.57 0.00 -4.64 6.12 -5.35 -1.01 -4.64 119.36 106.27 1xfx n ILE 711 Ca -0.07 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.09 1xfx n ILE 711 Cb 0.95 -0.25 -0.06 0.00 -1.74 0.00 0.00 39.64 38.54 1xfx n ILE 711 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1xfx s PHE 712 N -1.49 1.78 0.39 4.28 2.99 -1.19 -5.15 117.98 119.59 1xfx s PHE 712 Ca 0.00 -0.96 0.08 0.00 0.00 0.00 0.00 56.93 56.05 1xfx s PHE 712 Cb 0.00 -1.65 -0.01 0.00 0.00 0.00 0.00 43.02 41.36 1xfx s PHE 712 CO 0.00 0.11 0.40 -1.54 -0.00 0.00 0.00 175.22 174.19 1xfx s SER 713 N -3.95 5.34 0.10 1.36 1.04 -1.26 -4.95 113.70 111.38 1xfx s SER 713 Ca 0.08 -0.55 -0.29 0.00 0.48 0.00 0.00 55.95 55.67 1xfx s SER 713 Cb 0.01 -0.77 -0.12 0.00 0.10 0.00 0.00 66.02 65.23 1xfx s SER 713 CO 0.05 -0.57 1.64 1.56 0.98 0.00 0.00 173.24 176.89 1xfx h GLN 714 N 0.99 -0.58 -0.84 4.02 7.50 -1.96 -1.30 115.11 122.94 1xfx h GLN 714 Ca -0.42 0.04 0.14 0.00 0.50 0.00 0.00 58.65 58.91 1xfx h GLN 714 Cb 1.26 0.13 -0.15 0.00 0.05 0.00 0.00 27.48 28.78 1xfx h GLN 714 CO 0.55 -0.39 -0.33 1.49 -1.50 0.00 0.00 178.83 178.65 1xfx h GLU 715 N -0.60 -0.05 -0.22 1.46 4.57 -2.01 -1.48 114.58 116.24 1xfx h GLU 715 Ca -0.01 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 1xfx h GLU 715 Cb 0.55 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 1xfx h GLU 715 CO -0.05 -0.03 0.03 -0.22 -1.18 0.00 0.00 179.01 177.55 1xfx h LYS 716 N -0.05 0.38 -0.62 1.92 3.64 -1.89 -3.05 116.57 116.90 1xfx h LYS 716 Ca 0.33 -0.11 0.06 0.00 -1.27 0.00 0.00 60.65 59.66 1xfx h LYS 716 Cb 0.59 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.29 1xfx h LYS 716 CO -0.87 0.53 -0.46 0.87 -2.27 0.00 0.00 179.45 177.25 1xfx h LYS 717 N 0.17 -0.11 -0.65 1.90 1.57 -0.18 0.95 116.57 120.22 1xfx h LYS 717 Ca 0.07 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.98 1xfx h LYS 717 Cb 0.35 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.59 1xfx h LYS 717 CO 0.01 -0.07 0.17 0.00 -0.57 0.00 0.00 179.45 178.98 1xfx h ARG 718 N -0.12 0.29 0.00 3.15 3.08 -1.46 0.38 114.38 119.69 1xfx h ARG 718 Ca 0.10 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1xfx h ARG 718 Cb 0.38 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1xfx h ARG 718 CO -0.65 0.19 0.00 1.63 -1.07 0.00 0.00 179.97 180.07 1xfx n LYS 719 N -5.11 0.00 -0.60 0.04 5.02 0.43 0.14 118.16 118.08 1xfx n LYS 719 Ca 0.11 0.43 0.48 0.00 -2.02 0.00 0.00 58.31 57.30 1xfx n LYS 719 Cb 0.36 -1.39 0.78 0.00 -0.02 0.00 0.00 35.03 34.76 1xfx n LYS 719 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1xfx h ILE 720 N 0.00 0.08 0.00 -0.18 6.09 0.10 0.96 117.51 124.57 1xfx h ILE 720 Ca 0.00 -0.01 -0.08 0.00 -1.37 0.00 0.00 64.86 63.41 1xfx h ILE 720 Cb 0.00 0.07 -0.01 0.00 0.47 0.00 0.00 36.82 37.34 1xfx h ILE 720 CO 0.00 0.00 -0.46 0.28 -3.07 0.00 0.00 178.15 174.90 1xfx h SER 721 N 0.01 0.00 -1.01 2.19 0.02 -0.03 -2.90 113.55 111.84 1xfx h SER 721 Ca 0.87 -0.64 0.23 0.00 -0.84 0.00 0.00 61.79 61.41 1xfx h SER 721 Cb 3.32 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 65.76 1xfx h SER 721 CO -0.10 1.09 0.63 0.40 -1.14 0.00 0.00 176.83 177.70 1xfx h ILE 722 N -1.00 0.59 0.65 3.27 2.04 0.35 0.43 117.51 123.84 1xfx h ILE 722 Ca -0.12 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 1xfx h ILE 722 Cb 0.95 -0.01 0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1xfx h ILE 722 CO -0.07 0.10 -0.31 0.15 0.00 0.00 0.00 178.15 178.02 1xfx h PHE 723 N 0.56 -0.81 -0.99 1.37 3.57 -1.01 0.43 116.94 120.06 1xfx h PHE 723 Ca 0.60 -0.02 0.32 0.00 3.53 0.00 0.00 57.97 62.40 1xfx h PHE 723 Cb 1.22 0.27 -0.15 0.00 2.79 0.00 0.00 35.95 40.08 1xfx h PHE 723 CO -0.00 -0.51 0.53 0.00 -2.23 0.00 0.00 178.31 176.10 1xfx h ARG 724 N -1.15 0.27 0.16 1.11 2.47 -1.10 0.83 114.38 116.97 1xfx h ARG 724 Ca -0.09 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.61 1xfx h ARG 724 Cb 0.67 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 1xfx h ARG 724 CO 0.15 0.18 -0.08 0.78 0.56 0.00 0.00 179.97 181.56 1xfx h GLY 725 N 0.28 -0.22 0.65 0.04 0.00 0.09 -2.06 103.07 101.85 1xfx h GLY 725 Ca 0.73 0.08 0.06 0.00 0.00 0.00 0.00 47.33 48.21 1xfx h GLY 725 CO -0.63 -0.08 0.37 -2.22 0.00 0.00 0.00 176.54 173.98 1xfx h ILE 726 N -0.27 0.95 -0.46 2.60 2.04 0.27 -1.26 117.51 121.39 1xfx h ILE 726 Ca -0.02 -0.23 0.08 0.00 1.00 0.00 0.00 64.86 65.69 1xfx h ILE 726 Cb 0.21 0.21 -0.10 0.00 -0.74 0.00 0.00 36.82 36.41 1xfx h ILE 726 CO 0.04 0.12 -0.37 1.56 0.00 0.00 0.00 178.15 179.50 1xfx h GLN 727 N 0.68 -0.25 0.62 2.37 4.20 -0.03 0.17 115.11 122.87 1xfx h GLN 727 Ca 0.31 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 59.01 1xfx h GLN 727 Cb 0.22 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1xfx h GLN 727 CO -0.20 -0.17 -0.44 0.00 -0.67 0.00 0.00 178.83 177.36 1xfx h ALA 728 N 0.68 -1.07 -0.97 3.87 0.00 -0.68 -2.22 119.26 118.86 1xfx h ALA 728 Ca 0.17 -0.20 0.32 0.00 0.00 0.00 0.00 54.91 55.21 1xfx h ALA 728 Cb 0.56 0.57 -0.16 0.00 0.00 0.00 0.00 17.79 18.76 1xfx h ALA 728 CO -0.59 -1.13 0.41 -0.92 0.00 0.00 0.00 179.25 177.02 1xfx h TYR 729 N -1.02 0.64 0.33 0.00 3.20 -0.44 -1.53 116.97 118.15 1xfx h TYR 729 Ca -0.08 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 1xfx h TYR 729 Cb 0.84 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.00 1xfx h TYR 729 CO -0.15 -0.31 -0.16 -0.97 -1.64 0.00 0.00 178.16 174.94 1xfx h ASN 730 N 0.16 -0.38 0.00 -2.11 -0.73 -0.13 -1.73 115.58 110.66 1xfx h ASN 730 Ca 0.71 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.89 1xfx h ASN 730 Cb 1.65 0.10 0.00 0.00 0.27 0.00 0.00 38.32 40.34 1xfx h ASN 730 CO -0.71 -0.27 0.44 -0.33 -0.37 0.00 0.00 177.43 176.19 1xfx h GLU 731 N -0.45 0.00 0.13 6.67 4.39 -0.75 0.58 114.58 125.15 1xfx h GLU 731 Ca -0.05 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.46 1xfx h GLU 731 Cb 0.34 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.01 1xfx h GLU 731 CO 0.08 0.00 -0.87 0.82 -1.16 0.00 0.00 179.01 177.87 1xfx h ILE 732 N 0.00 1.44 -0.96 3.13 1.08 -1.00 -2.42 117.51 118.77 1xfx h ILE 732 Ca 0.00 -2.50 0.01 0.00 -0.39 0.00 0.00 64.86 61.98 1xfx h ILE 732 Cb 0.87 3.12 -0.05 0.00 -3.07 0.00 0.00 36.82 37.69 1xfx h ILE 732 CO 0.00 0.70 0.64 -0.08 -0.69 0.00 0.00 178.15 178.72 1xfx h GLU 733 N -0.41 1.25 -0.05 2.37 4.57 0.94 0.15 114.58 123.40 1xfx h GLU 733 Ca -0.16 -0.08 0.03 0.00 -1.18 0.00 0.00 59.36 57.97 1xfx h GLU 733 Cb 1.62 -0.28 -0.04 0.00 -0.16 0.00 0.00 28.75 29.89 1xfx h GLU 733 CO 0.12 0.83 -0.16 -0.97 -1.18 0.00 0.00 179.01 177.65 1xfx h ASN 734 N 1.29 -0.47 1.24 1.04 -1.24 -0.85 -1.45 115.58 115.14 1xfx h ASN 734 Ca 0.36 0.08 -0.10 0.00 0.71 0.00 0.00 56.30 57.34 1xfx h ASN 734 Cb -0.12 0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 1xfx h ASN 734 CO -0.08 -0.21 -0.48 0.58 -1.29 0.00 0.00 177.43 175.94 1xfx h VAL 735 N -0.24 0.91 0.00 2.57 2.07 -0.96 -2.85 116.25 117.74 1xfx h VAL 735 Ca 0.07 -2.03 -0.04 0.00 0.82 0.00 0.00 66.70 65.52 1xfx h VAL 735 Cb 0.33 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 1xfx h VAL 735 CO -0.19 0.47 -0.17 0.25 0.02 0.00 0.00 177.57 177.95 1xfx h LEU 736 N 0.00 0.00 -4.70 2.57 5.85 -0.48 -1.48 115.31 117.07 1xfx h LEU 736 Ca -0.00 0.00 -0.71 0.00 0.84 0.00 0.00 57.88 58.01 1xfx h LEU 736 Cb 1.23 0.00 -0.31 0.00 0.37 0.00 0.00 40.66 41.95 1xfx h LEU 736 CO 0.06 0.17 0.58 0.29 -0.34 0.00 0.00 178.44 179.21 1xfx n LYS 737 N -3.50 2.92 0.00 1.25 4.76 -0.57 -4.95 118.16 118.07 1xfx n LYS 737 Ca -0.01 -3.72 0.00 0.00 -2.87 0.00 0.00 58.31 51.71 1xfx n LYS 737 Cb 0.33 -2.27 0.00 0.00 -1.84 0.00 0.00 35.03 31.25 1xfx n LYS 737 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1xfx n SER 738 N -0.59 0.00 -0.57 4.39 2.88 -0.56 -4.94 113.62 114.24 1xfx n SER 738 Ca 0.52 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1xfx n SER 738 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1xfx n SER 738 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1xfx n LYS 739 N 0.00 3.72 -2.55 -1.46 4.81 -1.26 -4.85 118.16 116.58 1xfx n LYS 739 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 1xfx n LYS 739 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1xfx n LYS 739 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1xfx n GLN 740 N 0.00 3.20 -2.88 1.64 1.13 -1.26 -4.92 117.38 114.28 1xfx n GLN 740 Ca 0.00 -3.30 -0.42 0.00 -1.94 0.00 0.00 57.00 51.33 1xfx n GLN 740 Cb 0.00 -3.41 -0.04 0.00 0.11 0.00 0.00 30.24 26.90 1xfx n GLN 740 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1xfx s ILE 741 N 3.69 4.66 0.10 5.09 -4.36 -1.26 -4.96 121.20 124.16 1xfx s ILE 741 Ca 0.52 1.03 -0.14 0.00 -0.26 0.00 0.00 60.65 61.80 1xfx s ILE 741 Cb 0.04 -4.27 -0.09 0.00 1.25 0.00 0.00 42.46 39.39 1xfx s ILE 741 CO 0.05 -0.48 0.27 0.00 0.24 0.00 0.00 174.94 175.02 1xfx n ALA 742 N 6.59 -1.97 0.33 2.27 0.00 -1.26 -4.43 120.51 122.03 1xfx n ALA 742 Ca 0.05 0.23 0.22 0.00 0.00 0.00 0.00 53.44 53.93 1xfx n ALA 742 Cb 0.48 -0.83 1.12 0.00 0.00 0.00 0.00 19.45 20.23 1xfx n ALA 742 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1xfx h PRO 743 N 0.54 0.00 -0.04 0.00 0.13 -1.98 -0.54 132.00 130.11 1xfx h PRO 743 Ca -0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.98 1xfx h PRO 743 Cb 0.74 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 1xfx h PRO 743 CO 0.29 0.00 -0.00 1.05 -0.23 0.00 0.00 178.00 179.11 1xfx h GLU 744 N 0.00 0.07 -0.41 0.86 9.09 -2.00 -1.28 114.58 120.90 1xfx h GLU 744 Ca 0.00 -0.02 -0.12 0.00 0.05 0.00 0.00 59.36 59.27 1xfx h GLU 744 Cb 0.08 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.16 1xfx h GLU 744 CO 0.00 0.38 -0.21 1.88 0.05 0.00 0.00 179.01 181.11 1xfx h TYR 745 N -0.25 0.92 -0.50 2.06 -1.99 -1.75 -2.47 116.97 112.99 1xfx h TYR 745 Ca 0.01 -0.21 0.10 0.00 2.00 0.00 0.00 58.73 60.63 1xfx h TYR 745 Cb 0.35 -0.22 -0.10 0.00 2.00 0.00 0.00 36.73 38.76 1xfx h TYR 745 CO 0.04 0.95 -0.16 -0.22 -0.00 0.00 0.00 178.16 178.77 1xfx h LYS 746 N 0.71 -0.04 -0.02 4.88 3.64 -0.84 -0.10 116.57 124.80 1xfx h LYS 746 Ca 0.10 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1xfx h LYS 746 Cb 0.73 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1xfx h LYS 746 CO 0.06 -0.03 -0.03 -0.91 -2.27 0.00 0.00 179.45 176.27 1xfx h ASN 747 N -0.04 -0.08 -0.03 4.20 -0.26 -0.99 -1.98 115.58 116.40 1xfx h ASN 747 Ca 0.24 0.02 0.01 0.00 -0.56 0.00 0.00 56.30 56.00 1xfx h ASN 747 Cb 0.41 0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.70 1xfx h ASN 747 CO -0.54 -0.04 -0.10 0.22 -1.06 0.00 0.00 177.43 175.91 1xfx h TYR 748 N -0.04 -0.31 -1.33 1.19 3.20 -0.72 0.18 116.97 119.14 1xfx h TYR 748 Ca 0.02 0.01 0.39 0.00 3.14 0.00 0.00 58.73 62.29 1xfx h TYR 748 Cb 0.07 0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.40 1xfx h TYR 748 CO -0.11 -0.10 0.93 0.74 -1.64 0.00 0.00 178.16 177.97 1xfx h PHE 749 N -0.11 0.19 -0.60 -3.82 0.04 -1.02 3.66 116.94 115.28 1xfx h PHE 749 Ca 0.01 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.71 1xfx h PHE 749 Cb 0.13 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 1xfx h PHE 749 CO -0.48 -0.02 0.08 1.96 -0.60 0.00 0.00 178.31 179.25 1xfx h GLN 750 N 0.08 0.99 0.65 1.51 1.08 0.03 0.70 115.11 120.15 1xfx h GLN 750 Ca 0.68 -0.26 -0.03 0.00 -1.45 0.00 0.00 58.65 57.59 1xfx h GLN 750 Cb 2.46 -0.12 0.01 0.00 -0.05 0.00 0.00 27.48 29.78 1xfx h GLN 750 CO -0.12 0.92 -0.31 -0.92 -0.95 0.00 0.00 178.83 177.45 1xfx h TYR 751 N 0.93 -0.81 -0.67 2.96 3.20 0.90 -2.98 116.97 120.50 1xfx h TYR 751 Ca 0.18 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.17 1xfx h TYR 751 Cb 0.43 0.27 -0.12 0.00 1.54 0.00 0.00 36.73 38.84 1xfx h TYR 751 CO 0.03 -0.47 -0.13 -0.07 -1.64 0.00 0.00 178.16 175.88 1xfx h LEU 752 N -1.14 -0.56 -0.55 2.82 3.38 -0.44 0.51 115.31 119.34 1xfx h LEU 752 Ca -0.09 0.19 0.10 0.00 0.09 0.00 0.00 57.88 58.18 1xfx h LEU 752 Cb 0.70 0.39 -0.11 0.00 0.09 0.00 0.00 40.66 41.73 1xfx h LEU 752 CO 0.15 -0.21 -0.28 0.11 0.09 0.00 0.00 178.44 178.30 1xfx h LYS 753 N 0.02 -0.14 -0.89 1.13 1.57 -0.81 -1.07 116.57 116.39 1xfx h LYS 753 Ca 0.33 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.23 1xfx h LYS 753 Cb 0.52 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.78 1xfx h LYS 753 CO -0.67 -0.09 0.52 1.49 -0.57 0.00 0.00 179.45 180.13 1xfx h GLU 754 N -0.14 0.81 0.00 3.15 4.81 -0.74 0.16 114.58 122.62 1xfx h GLU 754 Ca 0.24 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1xfx h GLU 754 Cb 0.52 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1xfx h GLU 754 CO -0.63 0.53 0.00 0.54 -0.73 0.00 0.00 179.01 178.72 1xfx n ARG 755 N -4.72 0.00 -0.30 1.92 5.12 -0.45 0.36 116.66 118.58 1xfx n ARG 755 Ca 0.16 0.58 -0.00 0.00 -1.93 0.00 0.00 57.85 56.66 1xfx n ARG 755 Cb 0.33 -1.47 0.04 0.00 -1.16 0.00 0.00 32.46 30.20 1xfx n ARG 755 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1xfx n ILE 756 N -2.13 -0.40 0.12 0.55 2.08 -0.90 0.13 119.36 118.80 1xfx n ILE 756 Ca 0.00 1.82 -0.15 0.00 0.56 0.00 0.00 62.75 64.99 1xfx n ILE 756 Cb 0.00 -2.42 -0.09 0.00 -0.75 0.00 0.00 39.64 36.38 1xfx n ILE 756 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1xfx h THR 757 N 0.00 0.00 -0.60 1.39 2.02 -0.25 0.42 112.91 115.90 1xfx h THR 757 Ca 0.28 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.58 1xfx h THR 757 Cb 0.48 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.79 1xfx h THR 757 CO -0.78 0.00 0.07 0.78 0.37 0.00 0.00 175.52 175.96 1xfx h ASN 758 N -0.70 -0.12 0.62 4.18 2.35 0.58 -0.07 115.58 122.43 1xfx h ASN 758 Ca -0.01 0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1xfx h ASN 758 Cb 0.68 0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 1xfx h ASN 758 CO -0.23 -0.05 -0.46 -0.61 -1.65 0.00 0.00 177.43 174.43 1xfx h GLN 759 N 0.19 -1.00 -0.83 0.81 5.75 0.14 -0.09 115.11 120.08 1xfx h GLN 759 Ca 0.31 0.07 0.15 0.00 -0.15 0.00 0.00 58.65 59.03 1xfx h GLN 759 Cb 0.49 0.23 -0.06 0.00 1.07 0.00 0.00 27.48 29.21 1xfx h GLN 759 CO -0.45 -0.67 0.55 0.28 -2.65 0.00 0.00 178.83 175.89 1xfx h VAL 760 N -1.04 0.81 0.26 2.39 2.07 0.20 0.12 116.25 121.05 1xfx h VAL 760 Ca -0.08 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1xfx h VAL 760 Cb 0.86 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1xfx h VAL 760 CO 0.03 0.10 -0.12 -0.61 0.02 0.00 0.00 177.57 176.99 1xfx h GLN 761 N 0.56 -0.33 -0.98 1.57 5.75 -0.48 -1.26 115.11 119.94 1xfx h GLN 761 Ca 0.42 0.02 0.15 0.00 -0.15 0.00 0.00 58.65 59.09 1xfx h GLN 761 Cb 0.80 0.08 -0.10 0.00 1.07 0.00 0.00 27.48 29.33 1xfx h GLN 761 CO -0.17 -0.14 0.60 1.25 -2.65 0.00 0.00 178.83 177.72 1xfx h LEU 762 N -0.46 0.82 -1.42 -2.39 5.85 0.42 0.35 115.31 118.48 1xfx h LEU 762 Ca -0.04 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1xfx h LEU 762 Cb 0.34 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1xfx h LEU 762 CO 0.06 0.36 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.24 1xfx h LEU 763 N 0.85 0.00 0.07 2.25 3.38 -0.61 -2.76 115.31 118.48 1xfx h LEU 763 Ca 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.50 1xfx h LEU 763 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1xfx h LEU 763 CO -0.33 0.20 -0.03 -0.07 0.09 0.00 0.00 178.44 178.30 1xfx h LEU 764 N 0.00 -0.08 -1.72 1.67 3.38 0.77 -3.24 115.31 116.09 1xfx h LEU 764 Ca -0.00 -0.21 0.31 0.00 0.09 0.00 0.00 57.88 58.07 1xfx h LEU 764 Cb 0.60 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 1xfx h LEU 764 CO 0.03 0.50 0.95 0.71 0.09 0.00 0.00 178.44 180.72 1xfx h THR 765 N -1.00 0.22 0.00 0.22 1.35 -0.86 2.71 112.91 115.54 1xfx h THR 765 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1xfx h THR 765 Cb 0.29 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 66.99 1xfx h THR 765 CO 0.02 0.00 0.00 0.45 -0.25 0.00 0.00 175.52 175.74 1xfx h HIS 766 N 0.00 0.00 0.00 4.73 3.86 -1.51 -3.43 115.15 118.80 1xfx h HIS 766 Ca 0.51 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.72 1xfx h HIS 766 Cb 2.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.87 1xfx h HIS 766 CO 0.00 0.00 0.00 0.94 0.86 0.00 0.00 177.93 179.73 1xfx n GLN 767 N -2.71 0.00 -5.06 2.45 7.27 0.91 -5.04 117.38 115.20 1xfx n GLN 767 Ca 0.01 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.76 1xfx n GLN 767 Cb 0.28 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 32.77 1xfx n GLN 767 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1xfx s LYS 768 N 0.00 2.84 -0.26 3.69 -0.14 -1.22 -5.08 119.74 119.58 1xfx s LYS 768 Ca 0.00 -0.80 0.13 0.00 -1.36 0.00 0.00 55.97 53.94 1xfx s LYS 768 Cb 0.00 -2.35 0.47 0.00 -1.68 0.00 0.00 37.83 34.27 1xfx s LYS 768 CO 0.00 0.35 1.17 0.45 -0.76 0.00 0.00 175.35 176.56 1xfx n SER 769 N 3.07 3.39 -0.27 2.83 2.88 -1.26 -4.42 113.62 119.84 1xfx n SER 769 Ca -0.18 -3.17 0.09 0.00 -1.33 0.00 0.00 58.87 54.29 1xfx n SER 769 Cb 0.52 -0.40 -0.04 0.00 -0.75 0.00 0.00 64.21 63.54 1xfx n SER 769 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1xfx n ASN 770 N -0.65 1.48 -4.71 -3.46 4.05 -1.26 -4.87 115.26 105.84 1xfx n ASN 770 Ca 0.28 -1.24 -0.40 0.00 0.45 0.00 0.00 54.58 53.67 1xfx n ASN 770 Cb 0.90 0.67 -0.04 0.00 1.23 0.00 0.00 39.78 42.54 1xfx n ASN 770 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1xfx s ILE 771 N -2.42 4.99 -0.14 -1.44 -1.09 -1.26 -5.06 121.20 114.78 1xfx s ILE 771 Ca 0.13 1.61 -0.03 0.00 -2.23 0.00 0.00 60.65 60.13 1xfx s ILE 771 Cb 0.15 -4.12 -0.03 0.00 -1.58 0.00 0.00 42.46 36.89 1xfx s ILE 771 CO 0.60 0.20 -0.05 -1.61 -1.23 0.00 0.00 174.94 172.85 1xfx s GLU 772 N 1.03 3.49 0.18 2.79 2.02 -1.26 -4.96 118.70 121.99 1xfx s GLU 772 Ca 0.41 -0.54 -0.15 0.00 0.02 0.00 0.00 54.97 54.71 1xfx s GLU 772 Cb -0.18 -2.84 0.17 0.00 0.10 0.00 0.00 34.13 31.38 1xfx s GLU 772 CO 0.20 0.32 1.25 0.34 0.02 0.00 0.00 175.26 177.38 1xfx n PHE 773 N 3.29 -0.02 -0.25 1.61 7.35 -1.26 -0.42 117.46 127.77 1xfx n PHE 773 Ca -0.18 1.00 -0.11 0.00 -0.76 0.00 0.00 57.45 57.40 1xfx n PHE 773 Cb 0.53 -0.78 -0.08 0.00 0.35 0.00 0.00 39.48 39.50 1xfx n PHE 773 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1xfx h LYS 774 N 0.00 -0.21 0.00 -4.13 3.64 -1.99 0.78 116.57 114.66 1xfx h LYS 774 Ca 0.26 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1xfx h LYS 774 Cb 0.47 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1xfx h LYS 774 CO -0.80 -0.14 0.00 1.28 -2.27 0.00 0.00 179.45 177.52 1xfx n LEU 775 N -5.35 0.00 -0.17 5.20 4.77 0.44 -2.73 117.00 119.16 1xfx n LEU 775 Ca -0.00 0.79 0.06 0.00 -0.03 0.00 0.00 56.01 56.83 1xfx n LEU 775 Cb 0.32 -0.29 0.13 0.00 -2.33 0.00 0.00 43.42 41.26 1xfx n LEU 775 CO -0.05 -0.29 0.37 -0.11 -1.33 0.00 0.00 177.39 175.99 1xfx n LEU 776 N -1.52 -0.08 0.24 2.23 0.00 -0.71 0.61 117.00 117.77 1xfx n LEU 776 Ca 0.00 0.83 -0.15 0.00 0.00 0.00 0.00 56.01 56.69 1xfx n LEU 776 Cb 0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 43.42 43.05 1xfx n LEU 776 CO 0.00 -0.83 0.72 0.22 0.00 0.00 0.00 177.39 177.49 1xfx h TYR 777 N 0.00 -0.60 -0.76 1.96 3.20 -0.75 -3.08 116.97 116.94 1xfx h TYR 777 Ca 0.28 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.21 1xfx h TYR 777 Cb 0.56 0.21 -0.09 0.00 1.54 0.00 0.00 36.73 38.95 1xfx h TYR 777 CO -0.27 -0.36 -0.45 1.63 -1.64 0.00 0.00 178.16 177.07 1xfx n LYS 778 N -5.36 -0.34 0.00 1.82 4.76 0.20 -0.42 118.16 118.82 1xfx n LYS 778 Ca -0.11 1.36 0.00 0.00 -2.87 0.00 0.00 58.31 56.69 1xfx n LYS 778 Cb 0.27 -2.01 0.00 0.00 -1.84 0.00 0.00 35.03 31.45 1xfx n LYS 778 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1xfx n GLN 779 N -4.73 0.00 -4.04 1.97 6.02 -1.16 -4.64 117.38 110.80 1xfx n GLN 779 Ca 0.02 0.12 -0.22 0.00 -0.01 0.00 0.00 57.00 56.91 1xfx n GLN 779 Cb 0.20 -1.63 -0.03 0.00 1.02 0.00 0.00 30.24 29.80 1xfx n GLN 779 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xfx s LEU 780 N -1.98 4.08 -0.29 1.08 1.02 0.44 -4.99 118.68 118.04 1xfx s LEU 780 Ca 0.00 -0.07 -0.01 0.00 0.02 0.00 0.00 54.13 54.07 1xfx s LEU 780 Cb 0.00 -2.63 0.09 0.00 0.02 0.00 0.00 46.19 43.67 1xfx s LEU 780 CO 0.00 -0.04 0.08 0.21 0.02 0.00 0.00 176.35 176.61 1xfx s ASN 781 N -3.83 3.85 -0.82 2.29 3.04 -1.26 -5.01 114.94 113.20 1xfx s ASN 781 Ca 0.33 -1.48 -0.01 0.00 0.04 0.00 0.00 52.86 51.75 1xfx s ASN 781 Cb -0.09 -0.85 0.35 0.00 -1.54 0.00 0.00 41.25 39.12 1xfx s ASN 781 CO 0.27 -0.38 1.87 0.49 -3.04 0.00 0.00 177.10 176.31 1xfx n PHE 782 N 4.86 3.03 0.00 0.43 3.01 -1.26 -4.72 117.46 122.81 1xfx n PHE 782 Ca -0.04 -2.48 0.00 0.00 1.01 0.00 0.00 57.45 55.94 1xfx n PHE 782 Cb 0.43 -1.04 0.00 0.00 -0.01 0.00 0.00 39.48 38.86 1xfx n PHE 782 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1xfx n THR 783 N -0.46 0.00 -0.07 4.37 -1.04 -1.26 -4.97 114.28 110.85 1xfx n THR 783 Ca 0.51 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 62.37 1xfx n THR 783 Cb 0.29 -0.12 -0.05 0.00 -1.82 0.00 0.00 70.33 68.62 1xfx n THR 783 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1xfx n GLU 784 N -0.11 0.32 -3.45 -2.82 0.28 -1.26 -4.96 120.64 108.64 1xfx n GLU 784 Ca 0.00 0.14 -0.40 0.00 -0.16 0.00 0.00 57.16 56.74 1xfx n GLU 784 Cb 0.00 -1.04 -0.10 0.00 1.43 0.00 0.00 31.44 31.73 1xfx n GLU 784 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1xfx s ASN 785 N -6.33 6.14 0.11 -1.84 2.20 -1.26 -4.91 114.94 109.04 1xfx s ASN 785 Ca -0.21 -0.21 0.19 0.00 -0.94 0.00 0.00 52.86 51.70 1xfx s ASN 785 Cb 0.08 -2.17 -0.09 0.00 -2.00 0.00 0.00 41.25 37.06 1xfx s ASN 785 CO 0.27 -0.27 0.89 1.21 -2.94 0.00 0.00 177.10 176.26 1xfx n GLU 786 N 5.27 0.62 0.00 3.55 4.07 -1.26 -4.58 120.64 128.31 1xfx n GLU 786 Ca -0.10 0.17 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 1xfx n GLU 786 Cb 0.50 -1.80 0.00 0.00 -0.06 0.00 0.00 31.44 30.08 1xfx n GLU 786 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1xfx n THR 787 N -2.78 0.00 0.26 6.31 -2.24 -1.26 -2.04 114.28 112.52 1xfx n THR 787 Ca -0.06 0.08 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 1xfx n THR 787 Cb 0.72 -0.50 0.53 0.00 -2.10 0.00 0.00 70.33 68.98 1xfx n THR 787 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1xfx h ASP 788 N 0.00 0.00 -0.81 3.42 2.03 -2.01 -1.39 116.42 117.66 1xfx h ASP 788 Ca 0.00 0.00 0.17 0.00 -0.73 0.00 0.00 57.03 56.47 1xfx h ASP 788 Cb 0.00 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 38.39 1xfx h ASP 788 CO 0.00 0.00 0.31 -1.13 -1.03 0.00 0.00 179.24 177.39 1xfx h ASN 789 N 0.00 0.25 -0.06 4.15 -0.73 -1.66 0.16 115.58 117.70 1xfx h ASN 789 Ca 0.07 0.13 -0.10 0.00 1.87 0.00 0.00 56.30 58.27 1xfx h ASN 789 Cb 1.32 0.13 -0.01 0.00 0.27 0.00 0.00 38.32 40.02 1xfx h ASN 789 CO -0.00 0.04 -0.28 0.15 -0.37 0.00 0.00 177.43 176.97 1xfx h PHE 790 N 0.40 0.57 -0.38 0.67 3.57 -1.21 -0.46 116.94 120.11 1xfx h PHE 790 Ca 0.47 -0.13 -0.08 0.00 3.53 0.00 0.00 57.97 61.76 1xfx h PHE 790 Cb 0.80 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 1xfx h PHE 790 CO -0.18 0.74 -0.11 0.93 -2.23 0.00 0.00 178.31 177.46 1xfx h GLU 791 N 0.44 0.65 0.81 1.11 5.08 -1.09 -2.12 114.58 119.47 1xfx h GLU 791 Ca 0.06 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1xfx h GLU 791 Cb 0.72 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1xfx h GLU 791 CO 0.05 0.75 -0.46 0.28 -1.00 0.00 0.00 179.01 178.63 1xfx h VAL 792 N 0.60 0.00 -0.80 3.13 2.07 -0.01 -2.82 116.25 118.42 1xfx h VAL 792 Ca 0.11 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.70 1xfx h VAL 792 Cb 0.54 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.21 1xfx h VAL 792 CO 0.03 0.00 -0.47 0.33 0.02 0.00 0.00 177.57 177.48 1xfx n PHE 793 N -5.37 -0.35 -0.24 1.57 7.35 -0.25 -0.24 117.46 119.92 1xfx n PHE 793 Ca -0.14 1.00 -0.04 0.00 -0.76 0.00 0.00 57.45 57.51 1xfx n PHE 793 Cb 0.48 -0.56 0.01 0.00 0.35 0.00 0.00 39.48 39.76 1xfx n PHE 793 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1xfx h GLN 794 N 0.00 -0.12 -0.93 -4.13 -0.00 -1.36 0.55 115.11 109.12 1xfx h GLN 794 Ca 0.13 0.01 0.22 0.00 -0.00 0.00 0.00 58.65 59.00 1xfx h GLN 794 Cb 0.33 0.03 -0.07 0.00 0.00 0.00 0.00 27.48 27.77 1xfx h GLN 794 CO -0.75 -0.08 0.62 0.87 0.00 0.00 0.00 178.83 179.48 1xfx h LYS 795 N -0.13 0.39 0.00 1.69 1.57 -0.35 0.39 116.57 120.13 1xfx h LYS 795 Ca 0.26 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 1xfx h LYS 795 Cb 0.56 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1xfx h LYS 795 CO -0.74 0.26 -0.22 0.82 -0.57 0.00 0.00 179.45 178.99 1xfx h ILE 796 N 0.40 0.97 -2.29 1.86 1.08 0.13 -3.23 117.51 116.42 1xfx h ILE 796 Ca 0.49 -0.82 -0.80 0.00 -0.39 0.00 0.00 64.86 63.34 1xfx h ILE 796 Cb 1.25 1.47 -0.27 0.00 -3.07 0.00 0.00 36.82 36.19 1xfx h ILE 796 CO -0.19 0.22 0.98 2.30 -0.69 0.00 0.00 178.15 180.76 1xfx n ILE 797 N -4.00 6.00 -1.21 -0.67 -5.35 0.14 -5.06 119.36 109.21 1xfx n ILE 797 Ca -0.02 -5.98 0.00 0.00 -0.27 0.00 0.00 62.75 56.48 1xfx n ILE 797 Cb 0.30 -1.58 0.00 0.00 -1.74 0.00 0.00 39.64 36.62 1xfx n ILE 797 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26