#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3i s SER 8 N 0.00 2.94 0.22 3.54 1.04 -1.26 -4.83 113.70 115.35 1t3i s SER 8 Ca 0.00 1.89 -0.08 0.00 0.48 0.00 0.00 55.95 58.24 1t3i s SER 8 Cb 0.00 -2.45 0.27 0.00 0.10 0.00 0.00 66.02 63.94 1t3i s SER 8 CO 0.00 -3.04 1.83 0.25 0.98 0.00 0.00 173.24 173.26 1t3i h LEU 9 N -1.82 0.69 -0.41 2.42 5.85 -1.97 -2.10 115.31 117.97 1t3i h LEU 9 Ca -0.47 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1t3i h LEU 9 Cb 1.28 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1t3i h LEU 9 CO 0.47 0.45 0.27 0.00 -0.34 0.00 0.00 178.44 179.29 1t3i h ALA 10 N 1.36 0.52 -0.76 1.25 0.00 -1.83 -2.22 119.26 117.57 1t3i h ALA 10 Ca 0.32 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.32 1t3i h ALA 10 Cb 0.15 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1t3i h ALA 10 CO -0.17 -0.03 0.50 0.00 0.00 0.00 0.00 179.25 179.56 1t3i h ALA 11 N 1.15 1.90 0.00 0.00 0.00 -1.71 0.64 119.26 121.24 1t3i h ALA 11 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1t3i h ALA 11 Cb -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1t3i h ALA 11 CO -0.03 -0.08 0.00 1.79 0.00 0.00 0.00 179.25 180.93 1t3i h THR 12 N 0.59 0.00 0.00 0.00 1.35 -1.00 -3.37 112.91 110.48 1t3i h THR 12 Ca 0.36 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1t3i h THR 12 Cb 0.60 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1t3i h THR 12 CO -0.13 0.00 -0.41 1.33 -0.25 0.00 0.00 175.52 176.06 1t3i n VAL 13 N -2.78 0.00 -0.12 6.82 0.24 -0.59 -4.73 118.33 117.17 1t3i n VAL 13 Ca 0.04 -0.32 0.23 0.00 -2.04 0.00 0.00 64.34 62.25 1t3i n VAL 13 Cb 0.45 0.82 0.66 0.00 -1.47 0.00 0.00 33.84 34.30 1t3i n VAL 13 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1t3i h ARG 14 N 0.00 0.09 0.00 7.34 3.08 -1.08 0.43 114.38 124.24 1t3i h ARG 14 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1t3i h ARG 14 Cb 0.05 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1t3i h ARG 14 CO 0.00 0.06 0.00 1.96 -1.07 0.00 0.00 179.97 180.92 1t3i h GLN 15 N 0.09 0.00 0.00 0.04 1.08 -1.84 -2.19 115.11 112.28 1t3i h GLN 15 Ca 0.36 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.56 1t3i h GLN 15 Cb 1.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1t3i h GLN 15 CO -0.04 0.00 0.00 -0.44 -0.95 0.00 0.00 178.83 177.40 1t3i h ASP 16 N 0.00 0.00 -3.65 1.46 3.32 -0.46 -3.41 116.42 113.68 1t3i h ASP 16 Ca 0.00 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.35 1t3i h ASP 16 Cb 0.26 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 39.48 1t3i h ASP 16 CO 0.00 0.00 -0.46 -0.36 -1.72 0.00 0.00 179.24 176.70 1t3i s PHE 17 N -3.15 3.52 0.52 4.55 0.40 -0.83 -0.15 117.98 122.84 1t3i s PHE 17 Ca 0.09 -2.41 0.19 0.00 -0.60 0.00 0.00 56.93 54.20 1t3i s PHE 17 Cb 0.10 -3.28 1.30 0.00 0.51 0.00 0.00 43.02 41.66 1t3i s PHE 17 CO 0.61 -0.94 2.10 -1.00 0.70 0.00 0.00 175.22 176.69 1t3i h PRO 18 N 7.81 0.01 0.00 0.24 0.13 -1.81 -2.56 132.00 135.83 1t3i h PRO 18 Ca -0.10 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.00 1t3i h PRO 18 Cb 1.02 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 1t3i h PRO 18 CO 0.73 0.00 -0.11 0.97 -0.23 0.00 0.00 178.00 179.36 1t3i h ILE 19 N 0.01 0.45 0.00 -3.56 2.10 -1.93 -2.55 117.51 112.02 1t3i h ILE 19 Ca 0.08 -0.57 -0.03 0.00 1.08 0.00 0.00 64.86 65.42 1t3i h ILE 19 Cb 0.31 1.40 -0.00 0.00 -1.09 0.00 0.00 36.82 37.43 1t3i h ILE 19 CO -0.00 0.11 -0.13 -0.07 -1.08 0.00 0.00 178.15 176.98 1t3i h LEU 20 N 0.00 0.00 -6.90 2.19 3.38 -1.80 -3.36 115.31 108.82 1t3i h LEU 20 Ca -0.00 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 57.21 1t3i h LEU 20 Cb 0.39 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.95 1t3i h LEU 20 CO 0.01 0.13 1.60 -3.20 0.09 0.00 0.00 178.44 177.08 1t3i n ASN 21 N -3.33 5.33 -3.59 -0.43 5.15 -0.96 -4.60 115.26 112.82 1t3i n ASN 21 Ca -0.00 -3.11 -0.10 0.00 -0.60 0.00 0.00 54.58 50.76 1t3i n ASN 21 Cb 0.35 -1.47 -0.02 0.00 -0.53 0.00 0.00 39.78 38.11 1t3i n ASN 21 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1t3i s GLN 22 N 0.17 1.47 0.01 1.20 -2.07 -1.26 -5.09 119.66 114.10 1t3i s GLN 22 Ca 0.39 -0.67 0.03 0.00 -1.82 0.00 0.00 55.36 53.29 1t3i s GLN 22 Cb 0.05 0.60 -0.03 0.00 -1.09 0.00 0.00 33.01 32.53 1t3i s GLN 22 CO 0.01 -0.66 -0.06 -1.21 -1.32 0.00 0.00 175.29 172.05 1t3i s GLU 23 N -3.82 2.55 -0.11 9.60 2.02 -1.26 -1.23 118.70 126.46 1t3i s GLU 23 Ca 0.05 -0.73 0.02 0.00 0.02 0.00 0.00 54.97 54.33 1t3i s GLU 23 Cb -0.03 -2.51 0.01 0.00 0.10 0.00 0.00 34.13 31.71 1t3i s GLU 23 CO -0.05 0.60 -0.16 0.42 0.02 0.00 0.00 175.26 176.09 1t3i s ILE 24 N -1.02 1.53 -1.52 -1.63 -1.09 0.33 -4.76 121.20 113.04 1t3i s ILE 24 Ca 0.18 -0.67 -0.15 0.00 -2.23 0.00 0.00 60.65 57.78 1t3i s ILE 24 Cb -0.11 -1.39 0.12 0.00 -1.58 0.00 0.00 42.46 39.50 1t3i s ILE 24 CO 0.08 0.45 0.71 0.59 -1.23 0.00 0.00 174.94 175.53 1t3i n ASN 25 N 4.12 -3.64 0.00 3.58 3.02 -1.26 -0.65 115.26 120.43 1t3i n ASN 25 Ca -0.19 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 1t3i n ASN 25 Cb 0.51 -2.98 0.00 0.00 -0.61 0.00 0.00 39.78 36.71 1t3i n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t3i n GLY 26 N -1.34 0.81 3.24 7.41 0.00 -1.26 -4.81 105.19 109.24 1t3i n GLY 26 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 1t3i n GLY 26 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1t3i s HIS 27 N -3.09 1.40 0.32 1.61 3.76 0.18 -5.08 115.29 114.38 1t3i s HIS 27 Ca 0.00 -0.56 -0.29 0.00 -0.15 0.00 0.00 55.06 54.06 1t3i s HIS 27 Cb 0.00 -0.73 -0.11 0.00 1.11 0.00 0.00 32.58 32.85 1t3i s HIS 27 CO 0.00 0.15 1.44 -1.25 -0.85 0.00 0.00 174.74 174.23 1t3i s PRO 28 N -2.69 4.22 0.30 8.40 0.04 -1.26 0.12 135.00 144.14 1t3i s PRO 28 Ca 0.09 2.40 -0.30 0.00 0.04 0.00 0.00 61.00 63.24 1t3i s PRO 28 Cb -0.05 -3.04 -0.12 0.00 0.04 0.00 0.00 34.50 31.33 1t3i s PRO 28 CO 0.03 -0.42 1.53 -0.11 0.04 0.00 0.00 177.00 178.06 1t3i n LEU 29 N 1.34 4.18 -3.78 -3.56 7.94 -0.37 -4.71 117.00 118.05 1t3i n LEU 29 Ca 0.03 1.16 -0.30 0.00 -1.11 0.00 0.00 56.01 55.80 1t3i n LEU 29 Cb 0.40 -1.56 -0.14 0.00 0.53 0.00 0.00 43.42 42.64 1t3i n LEU 29 CO 0.62 0.01 -0.29 -0.69 -1.11 0.00 0.00 177.39 175.93 1t3i s VAL 30 N -0.27 1.38 -0.62 1.96 1.01 -0.80 -4.97 120.40 118.09 1t3i s VAL 30 Ca 0.62 -2.10 -0.24 0.00 0.00 0.00 0.00 61.98 60.26 1t3i s VAL 30 Cb -0.52 -2.00 0.05 0.00 0.00 0.00 0.00 36.38 33.91 1t3i s VAL 30 CO 0.52 -0.76 0.99 -0.47 0.00 0.00 0.00 175.10 175.38 1t3i s TYR 31 N 0.91 2.69 -0.33 5.22 5.04 -1.26 -0.37 117.35 129.23 1t3i s TYR 31 Ca 0.13 -0.24 0.06 0.00 -2.44 0.00 0.00 57.07 54.59 1t3i s TYR 31 Cb -0.21 -4.23 0.45 0.00 0.35 0.00 0.00 41.96 38.32 1t3i s TYR 31 CO -0.11 -1.56 1.18 1.28 -1.34 0.00 0.00 175.55 175.00 1t3i n LEU 32 N 7.78 4.90 -2.45 6.97 4.77 0.09 -4.67 117.00 134.39 1t3i n LEU 32 Ca -0.00 -4.87 -0.13 0.00 -0.03 0.00 0.00 56.01 50.98 1t3i n LEU 32 Cb 0.47 -0.38 0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1t3i n LEU 32 CO 0.65 2.14 0.08 -0.67 -1.33 0.00 0.00 177.39 178.25 1t3i n ASP 33 N -0.65 3.24 0.26 -1.43 2.03 -1.16 -0.13 116.55 118.72 1t3i n ASP 33 Ca 0.43 -2.94 0.15 0.00 0.52 0.00 0.00 54.79 52.95 1t3i n ASP 33 Cb 0.89 -0.42 0.67 0.00 -0.72 0.00 0.00 41.12 41.53 1t3i n ASP 33 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1t3i h ASN 34 N 2.45 0.00 1.00 1.67 2.35 -1.66 -2.15 115.58 119.23 1t3i h ASN 34 Ca 0.12 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 1t3i h ASN 34 Cb 1.36 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.72 1t3i h ASN 34 CO 0.50 0.08 -0.19 0.00 -1.65 0.00 0.00 177.43 176.18 1t3i h ALA 35 N 1.92 1.01 0.01 -0.83 0.00 -1.87 -3.10 119.26 116.40 1t3i h ALA 35 Ca -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1t3i h ALA 35 Cb 0.52 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1t3i h ALA 35 CO 0.01 0.23 -0.15 0.00 0.00 0.00 0.00 179.25 179.34 1t3i h ALA 36 N 1.81 0.01 -1.68 0.00 0.00 -1.80 -3.49 119.26 114.12 1t3i h ALA 36 Ca -0.00 -0.56 0.06 0.00 0.00 0.00 0.00 54.91 54.40 1t3i h ALA 36 Cb 0.74 0.06 -0.22 0.00 0.00 0.00 0.00 17.79 18.37 1t3i h ALA 36 CO 0.02 0.08 0.48 -0.08 0.00 0.00 0.00 179.25 179.75 1t3i s THR 37 N -2.25 0.00 0.36 0.00 -1.32 -1.08 -4.88 115.64 106.47 1t3i s THR 37 Ca -0.19 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.33 1t3i s THR 37 Cb -0.02 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.96 1t3i s THR 37 CO 0.69 0.00 0.52 -0.94 -2.21 0.00 0.00 174.62 172.69 1t3i s SER 38 N -1.20 5.96 0.40 8.08 1.04 -0.63 -4.06 113.70 123.29 1t3i s SER 38 Ca -0.03 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.38 1t3i s SER 38 Cb -0.00 -1.37 -0.02 0.00 0.10 0.00 0.00 66.02 64.73 1t3i s SER 38 CO 0.03 -0.48 0.61 -1.10 0.98 0.00 0.00 173.24 173.27 1t3i s GLN 39 N -4.27 3.28 -0.05 4.02 -1.52 -1.26 -4.82 119.66 115.04 1t3i s GLN 39 Ca 0.45 -0.42 0.01 0.00 -1.95 0.00 0.00 55.36 53.45 1t3i s GLN 39 Cb -0.10 -2.61 -0.03 0.00 -0.22 0.00 0.00 33.01 30.05 1t3i s GLN 39 CO 0.33 -0.06 -0.05 0.15 -0.25 0.00 0.00 175.29 175.40 1t3i s LYS 40 N -4.43 2.73 0.50 2.91 -0.14 -1.26 -4.38 119.74 115.67 1t3i s LYS 40 Ca 0.44 -0.58 -0.09 0.00 -1.36 0.00 0.00 55.97 54.39 1t3i s LYS 40 Cb -0.10 -2.60 -0.05 0.00 -1.68 0.00 0.00 37.83 33.40 1t3i s LYS 40 CO 0.37 0.65 0.86 -1.25 -0.76 0.00 0.00 175.35 175.22 1t3i s PRO 41 N -1.02 3.65 0.36 -1.68 0.04 -1.26 -4.45 135.00 130.64 1t3i s PRO 41 Ca 0.14 0.47 0.09 0.00 0.04 0.00 0.00 61.00 61.73 1t3i s PRO 41 Cb -0.11 -2.29 0.81 0.00 0.04 0.00 0.00 34.50 32.95 1t3i s PRO 41 CO 0.04 -0.25 1.88 0.00 0.04 0.00 0.00 177.00 178.70 1t3i h ARG 42 N 0.42 0.68 -0.84 4.56 3.08 -0.91 -1.16 114.38 120.20 1t3i h ARG 42 Ca -0.46 -0.04 0.15 0.00 0.07 0.00 0.00 59.98 59.70 1t3i h ARG 42 Cb 1.19 -0.15 -0.10 0.00 0.08 0.00 0.00 29.97 31.00 1t3i h ARG 42 CO 0.62 0.45 0.42 0.00 -1.07 0.00 0.00 179.97 180.39 1t3i h ALA 43 N 1.60 1.27 -0.03 0.04 0.00 -1.93 0.36 119.26 120.56 1t3i h ALA 43 Ca 0.44 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.41 1t3i h ALA 43 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1t3i h ALA 43 CO -0.20 -0.12 -0.09 0.28 0.00 0.00 0.00 179.25 179.13 1t3i h VAL 44 N 0.59 1.46 -0.62 0.00 2.07 -1.53 -2.72 116.25 115.50 1t3i h VAL 44 Ca 0.46 -1.50 -0.06 0.00 0.82 0.00 0.00 66.70 66.43 1t3i h VAL 44 Cb 0.68 2.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.79 1t3i h VAL 44 CO -0.38 0.40 0.16 -0.07 0.02 0.00 0.00 177.57 177.71 1t3i h LEU 45 N -0.44 0.90 -0.97 2.57 3.38 -1.04 -2.06 115.31 117.65 1t3i h LEU 45 Ca -0.00 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 1t3i h LEU 45 Cb 0.71 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1t3i h LEU 45 CO 0.02 0.86 -0.44 -0.33 0.09 0.00 0.00 178.44 178.64 1t3i h GLU 46 N 0.92 0.16 -0.59 1.13 5.08 -0.39 -0.41 114.58 120.49 1t3i h GLU 46 Ca 0.20 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 1t3i h GLU 46 Cb 0.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1t3i h GLU 46 CO -0.00 0.57 0.03 -0.22 -1.00 0.00 0.00 179.01 178.39 1t3i h LYS 47 N 0.13 1.01 0.11 2.33 1.63 -1.11 0.25 116.57 120.92 1t3i h LYS 47 Ca 0.01 -0.31 -0.01 0.00 -0.85 0.00 0.00 60.65 59.50 1t3i h LYS 47 Cb 0.84 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.37 1t3i h LYS 47 CO 0.06 0.99 -0.05 1.25 -3.45 0.00 0.00 179.45 178.25 1t3i h LEU 48 N 0.91 -0.12 -0.60 5.20 5.85 -1.03 -2.04 115.31 123.47 1t3i h LEU 48 Ca 0.17 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1t3i h LEU 48 Cb 0.51 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1t3i h LEU 48 CO 0.02 0.17 0.30 0.24 -0.34 0.00 0.00 178.44 178.83 1t3i h MET 49 N -0.42 0.86 -0.73 1.25 2.86 -0.96 -2.37 114.93 115.42 1t3i h MET 49 Ca -0.01 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1t3i h MET 49 Cb 0.34 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 1t3i h MET 49 CO 0.02 0.69 0.48 1.25 1.06 0.00 0.00 176.91 180.41 1t3i h HIS 50 N 0.82 0.92 0.20 -0.22 -0.00 -0.47 -0.25 115.15 116.15 1t3i h HIS 50 Ca 0.21 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.59 1t3i h HIS 50 Cb 0.11 -0.31 -0.00 0.00 -0.00 0.00 0.00 27.41 27.21 1t3i h HIS 50 CO -0.00 0.58 -0.11 -0.92 -0.00 0.00 0.00 177.93 177.48 1t3i h TYR 51 N 0.99 -0.29 0.00 5.26 3.20 -1.12 -0.34 116.97 124.67 1t3i h TYR 51 Ca 0.27 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.08 1t3i h TYR 51 Cb -0.11 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 1t3i h TYR 51 CO -0.02 -0.18 -0.23 1.88 -1.64 0.00 0.00 178.16 177.97 1t3i h TYR 52 N -0.29 0.00 0.00 -3.82 0.05 -1.17 0.26 116.97 111.99 1t3i h TYR 52 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1t3i h TYR 52 Cb 0.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.98 1t3i h TYR 52 CO -0.08 0.23 -0.75 0.39 -1.05 0.00 0.00 178.16 176.91 1t3i n GLU 53 N -3.89 0.21 0.00 4.88 1.02 -0.13 -4.59 120.64 118.14 1t3i n GLU 53 Ca -0.02 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1t3i n GLU 53 Cb 0.32 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 1t3i n GLU 53 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1t3i n ASN 54 N -1.89 1.49 -0.06 1.62 4.13 -0.16 -4.97 115.26 115.42 1t3i n ASN 54 Ca 0.03 0.00 0.03 0.00 1.68 0.00 0.00 54.58 56.32 1t3i n ASN 54 Cb 0.41 0.04 -0.02 0.00 -1.54 0.00 0.00 39.78 38.67 1t3i n ASN 54 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1t3i n ASP 55 N -1.67 0.59 -4.69 6.41 8.00 -0.10 -4.98 116.55 120.11 1t3i n ASP 55 Ca 0.00 -0.79 -0.59 0.00 0.71 0.00 0.00 54.79 54.12 1t3i n ASP 55 Cb 0.18 0.76 -0.08 0.00 -0.02 0.00 0.00 41.12 41.96 1t3i n ASP 55 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1t3i n ASN 56 N -0.78 2.17 -3.54 -2.24 5.15 -0.16 -4.12 115.26 111.74 1t3i n ASN 56 Ca 0.02 1.05 -0.07 0.00 -0.60 0.00 0.00 54.58 54.98 1t3i n ASN 56 Cb 0.11 -1.10 -0.02 0.00 -0.53 0.00 0.00 39.78 38.24 1t3i n ASN 56 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1t3i s ALA 57 N 3.75 -1.91 0.54 5.20 0.00 -1.26 -4.90 121.76 123.18 1t3i s ALA 57 Ca 1.01 1.22 -0.18 0.00 0.00 0.00 0.00 51.96 54.01 1t3i s ALA 57 Cb -1.14 0.22 -0.06 0.00 0.00 0.00 0.00 23.12 22.15 1t3i s ALA 57 CO 0.68 -0.66 1.05 1.21 0.00 0.00 0.00 175.76 178.04 1t3i s ASN 58 N -2.38 6.03 -0.50 0.00 3.84 -1.26 -4.88 114.94 115.80 1t3i s ASN 58 Ca 0.07 1.87 -0.17 0.00 0.21 0.00 0.00 52.86 54.83 1t3i s ASN 58 Cb -0.01 -2.55 0.07 0.00 -0.55 0.00 0.00 41.25 38.22 1t3i s ASN 58 CO -0.07 -0.99 0.53 0.68 -2.79 0.00 0.00 177.10 174.46 1t3i s VAL 59 N -2.23 5.03 0.00 -5.21 -7.23 -1.26 -4.64 120.40 104.86 1t3i s VAL 59 Ca 0.65 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 60.01 1t3i s VAL 59 Cb -0.16 -4.25 0.00 0.00 0.56 0.00 0.00 36.38 32.53 1t3i s VAL 59 CO 0.29 -0.74 0.00 0.61 -0.31 0.00 0.00 175.10 174.95 1t3i n GLY 62 N 5.20 3.98 0.10 2.32 0.00 -1.26 -4.88 105.19 110.65 1t3i n GLY 62 Ca -0.10 -1.10 -0.15 0.00 0.00 0.00 0.00 46.02 44.68 1t3i n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3i h ALA 63 N 0.00 0.32 -2.39 4.61 0.00 -1.97 -3.40 119.26 116.44 1t3i h ALA 63 Ca 0.00 -1.11 -0.50 0.00 0.00 0.00 0.00 54.91 53.30 1t3i h ALA 63 Cb 0.00 0.24 0.08 0.00 0.00 0.00 0.00 17.79 18.11 1t3i h ALA 63 CO 0.00 1.19 0.37 -3.38 0.00 0.00 0.00 179.25 177.43 1t3i s HIS 64 N -2.63 2.84 0.24 0.00 -3.43 -1.26 -4.85 115.29 106.20 1t3i s HIS 64 Ca -0.07 1.52 -0.06 0.00 -0.80 0.00 0.00 55.06 55.65 1t3i s HIS 64 Cb 0.07 -3.06 0.41 0.00 -1.43 0.00 0.00 32.58 28.57 1t3i s HIS 64 CO 0.85 -1.37 1.72 0.37 -2.00 0.00 0.00 174.74 174.31 1t3i h GLN 65 N 0.14 0.39 -0.83 -0.38 5.75 -1.99 -1.83 115.11 116.36 1t3i h GLN 65 Ca -0.46 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.00 1t3i h GLN 65 Cb 1.23 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.65 1t3i h GLN 65 CO 0.56 0.26 0.46 -0.07 -2.65 0.00 0.00 178.83 177.39 1t3i h LEU 66 N 0.40 1.02 -0.82 -2.39 4.07 -1.93 -0.30 115.31 115.37 1t3i h LEU 66 Ca 0.39 -0.09 -0.06 0.00 0.08 0.00 0.00 57.88 58.20 1t3i h LEU 66 Cb 0.58 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 42.03 1t3i h LEU 66 CO -0.40 0.82 0.20 -1.28 -1.08 0.00 0.00 178.44 176.70 1t3i h SER 67 N 1.15 1.01 -0.08 -0.43 0.87 -1.64 0.19 113.55 114.63 1t3i h SER 67 Ca 0.29 -0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1t3i h SER 67 Cb 0.02 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.71 1t3i h SER 67 CO -0.05 0.95 0.04 0.58 -0.53 0.00 0.00 176.83 177.82 1t3i h VAL 68 N 1.03 1.12 -0.53 2.23 2.07 -0.72 0.21 116.25 121.66 1t3i h VAL 68 Ca 0.22 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1t3i h VAL 68 Cb 0.32 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1t3i h VAL 68 CO -0.00 0.10 0.26 0.03 0.02 0.00 0.00 177.57 177.97 1t3i h ARG 69 N -0.01 0.76 -0.60 1.57 3.08 -0.80 0.30 114.38 118.68 1t3i h ARG 69 Ca 0.03 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 1t3i h ARG 69 Cb 0.13 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1t3i h ARG 69 CO -0.00 0.62 0.04 0.00 -1.07 0.00 0.00 179.97 179.56 1t3i h ALA 70 N 1.09 0.80 -0.39 0.04 0.00 -0.48 -2.38 119.26 117.94 1t3i h ALA 70 Ca 0.18 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1t3i h ALA 70 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1t3i h ALA 70 CO -0.02 0.61 -0.02 1.15 0.00 0.00 0.00 179.25 180.97 1t3i h THR 71 N 0.93 1.26 -0.37 0.00 2.02 -0.28 -0.97 112.91 115.50 1t3i h THR 71 Ca 0.17 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.31 1t3i h THR 71 Cb 0.51 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1t3i h THR 71 CO 0.02 0.35 0.18 0.44 0.37 0.00 0.00 175.52 176.88 1t3i h ASP 72 N 0.52 0.48 -0.32 4.18 3.32 -0.90 0.29 116.42 123.99 1t3i h ASP 72 Ca 0.11 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1t3i h ASP 72 Cb 0.50 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 1t3i h ASP 72 CO 0.02 0.48 0.18 0.00 -1.72 0.00 0.00 179.24 178.20 1t3i h ALA 73 N 1.03 0.41 -0.18 3.45 0.00 -1.36 -2.51 119.26 120.10 1t3i h ALA 73 Ca 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1t3i h ALA 73 Cb 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1t3i h ALA 73 CO -0.02 -0.07 0.06 -0.92 0.00 0.00 0.00 179.25 178.31 1t3i h TYR 74 N 0.40 0.28 0.00 0.00 5.03 -0.99 -3.05 116.97 118.65 1t3i h TYR 74 Ca 0.11 -0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.37 1t3i h TYR 74 Cb 0.05 -0.08 -0.00 0.00 1.55 0.00 0.00 36.73 38.24 1t3i h TYR 74 CO -0.03 0.36 -0.12 0.93 -1.32 0.00 0.00 178.16 177.98 1t3i h GLU 75 N 0.12 0.00 0.00 1.82 5.08 -0.90 -2.60 114.58 118.09 1t3i h GLU 75 Ca 0.06 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1t3i h GLU 75 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1t3i h GLU 75 CO -0.00 0.12 -0.19 0.00 -1.00 0.00 0.00 179.01 177.94 1t3i h ALA 76 N 1.88 1.08 -0.59 3.43 0.00 -1.33 -3.26 119.26 120.46 1t3i h ALA 76 Ca -0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1t3i h ALA 76 Cb 0.33 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1t3i h ALA 76 CO 0.02 0.23 0.21 0.28 0.00 0.00 0.00 179.25 179.99 1t3i h VAL 77 N 0.00 1.23 -0.86 0.00 2.07 -1.53 -3.24 116.25 113.93 1t3i h VAL 77 Ca -0.00 -0.76 0.15 0.00 0.82 0.00 0.00 66.70 66.91 1t3i h VAL 77 Cb 0.63 0.62 -0.09 0.00 -1.52 0.00 0.00 31.29 30.92 1t3i h VAL 77 CO 0.02 0.29 0.45 -0.09 0.02 0.00 0.00 177.57 178.26 1t3i h ARG 78 N 0.82 0.62 0.00 1.57 2.43 -1.74 0.26 114.38 118.34 1t3i h ARG 78 Ca 0.19 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 1t3i h ARG 78 Cb 0.24 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1t3i h ARG 78 CO -0.01 0.41 -0.44 -0.97 -1.51 0.00 0.00 179.97 177.45 1t3i h ASN 79 N 0.63 0.00 -0.56 -3.80 -0.00 -1.78 -0.94 115.58 109.14 1t3i h ASN 79 Ca 0.47 0.00 -0.06 0.00 -0.00 0.00 0.00 56.30 56.71 1t3i h ASN 79 Cb 0.66 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.96 1t3i h ASN 79 CO -0.36 0.44 0.13 0.11 -0.00 0.00 0.00 177.43 177.74 1t3i h LYS 80 N 0.00 0.90 -0.26 6.67 1.57 -1.01 -0.91 116.57 123.53 1t3i h LYS 80 Ca -0.00 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.44 1t3i h LYS 80 Cb 1.03 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 1t3i h LYS 80 CO 0.06 0.84 -0.28 0.28 -0.57 0.00 0.00 179.45 179.78 1t3i h VAL 81 N 0.79 1.31 -0.39 0.50 2.07 -1.09 -1.71 116.25 117.73 1t3i h VAL 81 Ca 0.17 -1.45 0.03 0.00 0.82 0.00 0.00 66.70 66.27 1t3i h VAL 81 Cb 0.36 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1t3i h VAL 81 CO 0.00 0.46 0.19 0.00 0.02 0.00 0.00 177.57 178.24 1t3i h ALA 82 N 0.68 0.48 -0.18 1.67 0.00 -1.04 -2.19 119.26 118.67 1t3i h ALA 82 Ca 0.04 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1t3i h ALA 82 Cb 0.85 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1t3i h ALA 82 CO 0.07 -0.18 -0.29 1.57 0.00 0.00 0.00 179.25 180.42 1t3i h LYS 83 N 0.39 0.36 -0.75 0.00 2.10 -1.15 0.36 116.57 117.88 1t3i h LYS 83 Ca 0.17 -0.14 0.01 0.00 -2.00 0.00 0.00 60.65 58.68 1t3i h LYS 83 Cb 0.08 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 31.36 1t3i h LYS 83 CO -0.12 0.62 0.49 0.35 -2.00 0.00 0.00 179.45 178.79 1t3i h PHE 84 N 0.31 0.94 -0.43 0.07 3.04 -0.69 -2.61 116.94 117.58 1t3i h PHE 84 Ca 0.04 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1t3i h PHE 84 Cb 0.68 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 38.87 1t3i h PHE 84 CO 0.02 0.60 0.00 0.44 -2.02 0.00 0.00 178.31 177.35 1t3i n ILE 85 N -4.42 1.07 -3.62 1.41 -5.35 -1.01 -4.47 119.36 102.98 1t3i n ILE 85 Ca 0.08 -1.04 -0.25 0.00 -0.27 0.00 0.00 62.75 61.27 1t3i n ILE 85 Cb 0.04 0.46 0.06 0.00 -1.74 0.00 0.00 39.64 38.46 1t3i n ILE 85 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1t3i n ASN 86 N 0.71 -5.95 -4.78 7.28 4.05 -0.17 -1.13 115.26 115.28 1t3i n ASN 86 Ca 0.15 -0.57 -0.35 0.00 0.45 0.00 0.00 54.58 54.26 1t3i n ASN 86 Cb 0.50 -4.71 -0.00 0.00 1.23 0.00 0.00 39.78 36.79 1t3i n ASN 86 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1t3i s ALA 87 N -3.29 2.73 0.29 5.20 0.00 0.11 -4.16 121.76 122.63 1t3i s ALA 87 Ca 0.58 0.78 0.02 0.00 0.00 0.00 0.00 51.96 53.35 1t3i s ALA 87 Cb -0.27 -3.34 0.44 0.00 0.00 0.00 0.00 23.12 19.95 1t3i s ALA 87 CO 0.72 -0.69 1.75 0.00 0.00 0.00 0.00 175.76 177.54 1t3i h ARG 88 N 1.25 0.51 -3.18 0.00 3.08 -1.93 -3.44 114.38 110.66 1t3i h ARG 88 Ca -0.50 -0.17 -0.14 0.00 0.07 0.00 0.00 59.98 59.24 1t3i h ARG 88 Cb 1.25 -0.04 -0.22 0.00 0.08 0.00 0.00 29.97 31.04 1t3i h ARG 88 CO 0.57 0.68 -0.39 0.45 -1.07 0.00 0.00 179.97 180.21 1t3i s SER 89 N -6.79 -0.17 0.38 7.04 0.15 -1.26 -5.01 113.70 108.04 1t3i s SER 89 Ca -0.07 0.20 0.27 0.00 0.70 0.00 0.00 55.95 57.05 1t3i s SER 89 Cb 0.14 0.38 1.33 0.00 -1.71 0.00 0.00 66.02 66.16 1t3i s SER 89 CO 0.79 -0.28 1.83 1.55 1.20 0.00 0.00 173.24 178.33 1t3i h PRO 90 N 4.76 0.00 0.00 5.44 0.13 -1.87 -0.04 132.00 140.42 1t3i h PRO 90 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1t3i h PRO 90 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1t3i h PRO 90 CO 0.38 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.69 1t3i n ARG 91 N -2.48 0.10 -0.05 0.86 1.74 -1.26 -1.72 116.66 113.84 1t3i n ARG 91 Ca -0.00 0.38 0.12 0.00 -0.77 0.00 0.00 57.85 57.58 1t3i n ARG 91 Cb 0.14 -1.70 0.39 0.00 -1.02 0.00 0.00 32.46 30.27 1t3i n ARG 91 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1t3i n GLU 92 N -1.89 1.84 -4.06 5.56 1.02 -0.03 -4.23 120.64 118.85 1t3i n GLU 92 Ca 0.02 -1.24 -0.35 0.00 -0.02 0.00 0.00 57.16 55.57 1t3i n GLU 92 Cb 0.17 -1.45 -0.12 0.00 -0.02 0.00 0.00 31.44 30.03 1t3i n GLU 92 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1t3i s ILE 93 N -1.87 4.23 -0.13 -3.67 -1.09 -0.70 -1.46 121.20 116.50 1t3i s ILE 93 Ca 0.35 -0.22 0.02 0.00 -2.23 0.00 0.00 60.65 58.56 1t3i s ILE 93 Cb 0.20 -2.91 0.01 0.00 -1.58 0.00 0.00 42.46 38.18 1t3i s ILE 93 CO 0.30 0.43 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.57 1t3i s VAL 94 N 0.83 1.76 0.28 2.92 1.01 0.07 -4.79 120.40 122.48 1t3i s VAL 94 Ca 0.02 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 1t3i s VAL 94 Cb -0.14 -1.59 -0.09 0.00 0.00 0.00 0.00 36.38 34.56 1t3i s VAL 94 CO 0.02 0.49 0.99 -0.31 0.00 0.00 0.00 175.10 176.29 1t3i s TYR 95 N 1.03 3.77 0.35 5.22 2.02 -1.26 -0.18 117.35 128.30 1t3i s TYR 95 Ca -0.04 1.82 0.05 0.00 -0.37 0.00 0.00 57.07 58.53 1t3i s TYR 95 Cb -0.15 -3.06 -0.03 0.00 -0.40 0.00 0.00 41.96 38.32 1t3i s TYR 95 CO -0.04 0.06 0.21 0.95 -1.57 0.00 0.00 175.55 175.16 1t3i s THR 96 N -1.29 0.22 0.09 -0.71 -4.23 0.03 -4.90 115.64 104.85 1t3i s THR 96 Ca 0.45 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.83 1t3i s THR 96 Cb -0.26 -2.45 -0.21 0.00 1.34 0.00 0.00 72.50 70.92 1t3i s THR 96 CO 0.33 0.00 1.23 -0.09 -0.54 0.00 0.00 174.62 175.54 1t3i h ARG 97 N 2.05 0.70 -3.24 3.99 2.43 -1.82 0.23 114.38 118.72 1t3i h ARG 97 Ca -0.30 -0.71 -0.06 0.00 -0.81 0.00 0.00 59.98 58.10 1t3i h ARG 97 Cb 1.25 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.97 1t3i h ARG 97 CO 0.45 1.29 0.17 0.54 -1.51 0.00 0.00 179.97 180.91 1t3i s ASN 98 N -7.24 0.16 0.36 -3.80 2.20 -1.26 -1.19 114.94 104.16 1t3i s ASN 98 Ca -0.10 -1.16 0.06 0.00 -0.94 0.00 0.00 52.86 50.73 1t3i s ASN 98 Cb 0.07 0.80 0.67 0.00 -2.00 0.00 0.00 41.25 40.79 1t3i s ASN 98 CO 0.91 -1.57 1.90 0.00 -2.94 0.00 0.00 177.10 175.40 1t3i h ALA 99 N 2.03 1.43 -0.49 3.54 0.00 -1.89 -2.47 119.26 121.41 1t3i h ALA 99 Ca -0.30 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.43 1t3i h ALA 99 Cb 1.25 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1t3i h ALA 99 CO 0.38 0.40 0.30 1.15 0.00 0.00 0.00 179.25 181.48 1t3i h THR 100 N 0.42 1.07 -0.74 0.00 2.02 -1.91 -0.37 112.91 113.39 1t3i h THR 100 Ca 0.09 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1t3i h THR 100 Cb 0.33 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1t3i h THR 100 CO 0.01 0.11 0.35 -0.08 0.37 0.00 0.00 175.52 176.28 1t3i h GLU 101 N 0.60 1.07 -0.81 6.66 4.81 -1.86 -1.45 114.58 123.60 1t3i h GLU 101 Ca 0.19 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1t3i h GLU 101 Cb -0.01 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.14 1t3i h GLU 101 CO -0.07 0.83 0.50 0.00 -0.73 0.00 0.00 179.01 179.54 1t3i h ALA 102 N 1.32 1.03 -0.45 2.92 0.00 -0.92 0.94 119.26 124.10 1t3i h ALA 102 Ca 0.26 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1t3i h ALA 102 Cb 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1t3i h ALA 102 CO -0.03 0.49 -0.19 0.82 0.00 0.00 0.00 179.25 180.34 1t3i h ILE 103 N 1.11 1.27 -0.35 0.00 2.04 -0.69 -2.73 117.51 118.16 1t3i h ILE 103 Ca 0.29 -1.33 -0.05 0.00 1.00 0.00 0.00 64.86 64.77 1t3i h ILE 103 Cb -0.06 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1t3i h ILE 103 CO -0.06 0.45 0.00 0.78 0.00 0.00 0.00 178.15 179.33 1t3i h ASN 104 N 0.75 0.51 -0.23 1.72 2.35 -0.82 -0.19 115.58 119.68 1t3i h ASN 104 Ca 0.10 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1t3i h ASN 104 Cb 0.75 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1t3i h ASN 104 CO 0.06 0.58 0.13 0.25 -1.65 0.00 0.00 177.43 176.80 1t3i h LEU 105 N 0.52 0.28 -0.52 1.61 6.46 -0.63 0.97 115.31 124.00 1t3i h LEU 105 Ca 0.11 -0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 57.75 1t3i h LEU 105 Cb 0.34 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 1t3i h LEU 105 CO 0.01 0.27 0.13 0.58 -0.62 0.00 0.00 178.44 178.81 1t3i h VAL 106 N 0.26 1.24 -0.32 1.05 2.07 -1.15 0.16 116.25 119.57 1t3i h VAL 106 Ca 0.08 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1t3i h VAL 106 Cb 0.05 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1t3i h VAL 106 CO -0.01 0.31 0.20 0.00 0.02 0.00 0.00 177.57 178.09 1t3i h ALA 107 N 1.00 0.41 -0.05 1.67 0.00 -0.73 0.11 119.26 121.67 1t3i h ALA 107 Ca 0.16 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1t3i h ALA 107 Cb 0.33 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1t3i h ALA 107 CO 0.00 -0.11 -0.42 1.88 0.00 0.00 0.00 179.25 180.60 1t3i h TYR 108 N 0.42 0.52 0.05 0.00 0.05 -0.73 0.88 116.97 118.16 1t3i h TYR 108 Ca 0.12 -0.25 -0.00 0.00 0.05 0.00 0.00 58.73 58.65 1t3i h TYR 108 Cb -0.02 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.65 1t3i h TYR 108 CO -0.05 1.02 -0.02 1.03 -1.05 0.00 0.00 178.16 179.09 1t3i h SER 109 N -0.13 -0.06 0.00 3.88 0.87 -0.99 -3.32 113.55 113.80 1t3i h SER 109 Ca -0.04 -0.60 -0.10 0.00 -1.23 0.00 0.00 61.79 59.81 1t3i h SER 109 Cb 1.10 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 1t3i h SER 109 CO 0.08 0.67 -0.72 -0.25 -0.53 0.00 0.00 176.83 176.08 1t3i h TRP 110 N -0.87 0.00 0.13 2.24 7.01 -1.02 -3.37 115.95 120.08 1t3i h TRP 110 Ca -0.01 0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.01 1t3i h TRP 110 Cb 0.66 0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 27.67 1t3i h TRP 110 CO 0.16 0.80 -0.48 0.78 -2.79 0.00 0.00 178.44 176.91 1t3i h GLY 111 N -1.00 -1.02 1.79 2.65 0.00 -0.30 0.51 103.07 105.70 1t3i h GLY 111 Ca -0.16 0.58 0.02 0.00 0.00 0.00 0.00 47.33 47.77 1t3i h GLY 111 CO -0.09 -0.27 0.09 -0.33 0.00 0.00 0.00 176.54 175.93 1t3i h MET 112 N -0.72 0.00 -0.01 4.80 2.86 -0.95 -2.24 114.93 118.67 1t3i h MET 112 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1t3i h MET 112 Cb 0.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.39 1t3i h MET 112 CO -0.26 0.00 -0.55 0.09 1.06 0.00 0.00 176.91 177.25 1t3i n ASN 113 N -3.68 1.30 0.00 1.22 3.02 -0.92 -4.58 115.26 111.62 1t3i n ASN 113 Ca -0.01 -1.15 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 1t3i n ASN 113 Cb 0.18 0.71 0.00 0.00 -0.61 0.00 0.00 39.78 40.06 1t3i n ASN 113 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1t3i n ASN 114 N -0.67 0.48 -4.49 6.41 4.13 0.12 -5.02 115.26 116.23 1t3i n ASN 114 Ca 0.05 -0.74 -0.34 0.00 1.68 0.00 0.00 54.58 55.24 1t3i n ASN 114 Cb 0.32 0.44 -0.12 0.00 -1.54 0.00 0.00 39.78 38.88 1t3i n ASN 114 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1t3i s LEU 115 N -0.89 3.14 0.39 3.41 1.43 -0.87 -5.05 118.68 120.25 1t3i s LEU 115 Ca 0.00 -0.15 0.08 0.00 -1.03 0.00 0.00 54.13 53.03 1t3i s LEU 115 Cb 0.00 -1.74 -0.06 0.00 0.03 0.00 0.00 46.19 44.42 1t3i s LEU 115 CO 0.00 0.19 0.06 -0.54 0.23 0.00 0.00 176.35 176.30 1t3i s LYS 116 N 0.21 2.07 0.15 1.70 3.01 -1.26 -4.82 119.74 120.79 1t3i s LYS 116 Ca -0.04 -1.93 -0.34 0.00 -1.01 0.00 0.00 55.97 52.65 1t3i s LYS 116 Cb -0.14 -1.82 -0.15 0.00 -1.01 0.00 0.00 37.83 34.71 1t3i s LYS 116 CO 0.03 -0.02 1.42 0.00 0.51 0.00 0.00 175.35 177.29 1t3i n ALA 117 N -1.05 0.23 0.00 5.17 0.00 -0.49 -1.14 120.51 123.23 1t3i n ALA 117 Ca -0.03 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1t3i n ALA 117 Cb 0.65 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1t3i n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t3i n GLY 118 N 2.76 3.07 3.72 0.00 0.00 -0.95 -4.89 105.19 108.89 1t3i n GLY 118 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1t3i n GLY 118 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1t3i n ASP 119 N 0.16 2.57 -4.59 1.61 10.43 -0.29 -4.64 116.55 121.80 1t3i n ASP 119 Ca 0.00 1.03 -0.34 0.00 2.57 0.00 0.00 54.79 58.05 1t3i n ASP 119 Cb 0.00 -1.54 -0.11 0.00 1.84 0.00 0.00 41.12 41.31 1t3i n ASP 119 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1t3i s GLU 120 N -2.57 2.81 -0.18 -1.24 2.02 -0.12 -0.32 118.70 119.10 1t3i s GLU 120 Ca 0.67 -0.53 -0.00 0.00 0.02 0.00 0.00 54.97 55.12 1t3i s GLU 120 Cb -0.45 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.16 1t3i s GLU 120 CO 0.53 0.65 -0.14 0.42 0.02 0.00 0.00 175.26 176.74 1t3i s ILE 121 N -0.77 2.67 -0.23 -1.63 1.01 0.25 -1.51 121.20 120.99 1t3i s ILE 121 Ca 0.12 -0.75 -0.10 0.00 0.00 0.00 0.00 60.65 59.92 1t3i s ILE 121 Cb -0.11 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.17 1t3i s ILE 121 CO 0.02 0.50 0.13 -0.63 0.00 0.00 0.00 174.94 174.96 1t3i s ILE 122 N 1.08 5.15 0.00 2.92 1.01 0.71 -1.15 121.20 130.91 1t3i s ILE 122 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.75 1t3i s ILE 122 Cb -0.14 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 38.94 1t3i s ILE 122 CO -0.04 0.36 0.00 1.07 0.00 0.00 0.00 174.94 176.33 1t3i n THR 123 N 4.23 0.00 -4.39 2.92 5.66 -0.14 -1.05 114.28 121.51 1t3i n THR 123 Ca -0.15 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.65 1t3i n THR 123 Cb 0.52 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.20 1t3i n THR 123 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1t3i s THR 124 N -0.77 1.59 -0.69 1.09 -4.23 -1.26 -0.57 115.64 110.80 1t3i s THR 124 Ca 0.00 -2.13 0.23 0.00 -1.18 0.00 0.00 61.69 58.60 1t3i s THR 124 Cb 0.00 -2.33 0.23 0.00 1.34 0.00 0.00 72.50 71.74 1t3i s THR 124 CO 0.00 -0.38 1.69 1.33 -0.54 0.00 0.00 174.62 176.71 1t3i n VAL 125 N -0.51 0.75 1.20 2.29 0.24 -0.86 -3.15 118.33 118.29 1t3i n VAL 125 Ca -0.06 0.12 0.13 0.00 -2.04 0.00 0.00 64.34 62.48 1t3i n VAL 125 Cb 0.63 -0.96 0.26 0.00 -1.47 0.00 0.00 33.84 32.30 1t3i n VAL 125 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 1t3i n MET 126 N -2.01 1.80 -1.62 7.34 0.00 -1.26 -3.57 117.12 117.79 1t3i n MET 126 Ca 0.04 -1.33 -0.39 0.00 0.00 0.00 0.00 57.70 56.01 1t3i n MET 126 Cb 0.26 -1.47 0.03 0.00 0.00 0.00 0.00 33.22 32.04 1t3i n MET 126 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1t3i n GLU 127 N 0.56 1.21 -2.48 3.17 -0.58 -1.19 -4.88 120.64 116.45 1t3i n GLU 127 Ca 0.15 0.45 -0.34 0.00 -0.42 0.00 0.00 57.16 57.00 1t3i n GLU 127 Cb 0.47 -2.15 -0.03 0.00 -0.57 0.00 0.00 31.44 29.17 1t3i n GLU 127 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1t3i s HIS 128 N -1.39 2.99 0.43 -0.32 5.65 -1.26 -4.58 115.29 116.80 1t3i s HIS 128 Ca 0.69 1.57 0.18 0.00 0.25 0.00 0.00 55.06 57.74 1t3i s HIS 128 Cb -0.48 -3.06 1.10 0.00 -1.18 0.00 0.00 32.58 28.95 1t3i s HIS 128 CO 0.52 -0.88 1.88 0.45 -0.65 0.00 0.00 174.74 176.06 1t3i h HIS 129 N 1.41 0.48 0.00 3.88 3.86 -0.93 -0.29 115.15 123.56 1t3i h HIS 129 Ca -0.49 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 58.73 1t3i h HIS 129 Cb 1.22 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 29.54 1t3i h HIS 129 CO 0.57 0.15 -0.01 0.77 0.86 0.00 0.00 177.93 180.27 1t3i h SER 130 N 0.38 0.00 -0.43 2.45 0.02 -1.92 -0.23 113.55 113.83 1t3i h SER 130 Ca 0.43 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.20 1t3i h SER 130 Cb 1.07 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.50 1t3i h SER 130 CO -0.14 0.01 0.05 -3.20 -1.14 0.00 0.00 176.83 172.41 1t3i n ASN 131 N -3.11 3.14 0.08 3.07 5.15 -0.13 -4.45 115.26 119.01 1t3i n ASN 131 Ca -0.01 -3.53 0.00 0.00 -0.60 0.00 0.00 54.58 50.44 1t3i n ASN 131 Cb 0.23 -0.64 0.00 0.00 -0.53 0.00 0.00 39.78 38.83 1t3i n ASN 131 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1t3i n LEU 132 N -0.91 0.20 -0.18 1.20 7.94 -0.73 -4.84 117.00 119.69 1t3i n LEU 132 Ca 0.34 0.27 -0.01 0.00 -1.11 0.00 0.00 56.01 55.50 1t3i n LEU 132 Cb 1.10 0.11 0.09 0.00 0.53 0.00 0.00 43.42 45.25 1t3i n LEU 132 CO 0.25 -0.65 0.91 0.58 -1.11 0.00 0.00 177.39 177.36 1t3i h VAL 133 N 0.00 0.67 -0.85 1.96 2.07 -1.33 -0.46 116.25 118.31 1t3i h VAL 133 Ca 0.00 -0.08 0.12 0.00 0.82 0.00 0.00 66.70 67.56 1t3i h VAL 133 Cb 0.10 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 1t3i h VAL 133 CO 0.00 0.04 0.55 -0.65 0.02 0.00 0.00 177.57 177.54 1t3i h PRO 134 N 0.23 0.72 -0.01 1.57 0.11 -1.78 0.39 132.00 133.23 1t3i h PRO 134 Ca 0.28 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.18 1t3i h PRO 134 Cb 0.40 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 1t3i h PRO 134 CO -0.37 0.48 -0.76 -1.49 -0.21 0.00 0.00 178.00 175.64 1t3i h TRP 135 N 0.74 0.18 -0.07 0.65 4.06 -1.47 -1.04 115.95 119.00 1t3i h TRP 135 Ca 0.41 -0.09 -0.10 0.00 2.06 0.00 0.00 58.89 61.17 1t3i h TRP 135 Cb 0.56 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.68 1t3i h TRP 135 CO -0.00 0.84 -0.43 1.96 -3.56 0.00 0.00 178.44 177.25 1t3i h GLN 136 N 0.08 0.17 -0.24 0.49 4.20 0.18 0.16 115.11 120.15 1t3i h GLN 136 Ca -0.02 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.49 1t3i h GLN 136 Cb 1.34 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.12 1t3i h GLN 136 CO 0.11 0.57 -0.31 0.52 -0.67 0.00 0.00 178.83 179.06 1t3i h MET 137 N 0.14 0.64 -0.22 1.46 2.86 -0.62 -1.73 114.93 117.46 1t3i h MET 137 Ca 0.01 -0.36 -0.01 0.00 -2.06 0.00 0.00 59.70 57.28 1t3i h MET 137 Cb 0.82 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 1t3i h MET 137 CO 0.06 0.97 0.10 0.28 1.06 0.00 0.00 176.91 179.38 1t3i h VAL 138 N 0.34 1.15 -0.47 -2.22 2.07 -0.92 -2.40 116.25 113.80 1t3i h VAL 138 Ca 0.03 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.15 1t3i h VAL 138 Cb 0.88 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 1t3i h VAL 138 CO 0.07 0.15 0.23 0.00 0.02 0.00 0.00 177.57 178.04 1t3i h ALA 139 N 0.95 0.59 -0.40 1.67 0.00 -0.67 0.19 119.26 121.59 1t3i h ALA 139 Ca 0.07 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1t3i h ALA 139 Cb 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1t3i h ALA 139 CO -0.01 -0.13 0.27 0.00 0.00 0.00 0.00 179.25 179.38 1t3i h ALA 140 N 1.26 1.73 0.00 0.00 0.00 -1.15 0.21 119.26 121.31 1t3i h ALA 140 Ca 0.21 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.83 1t3i h ALA 140 Cb 0.13 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1t3i h ALA 140 CO -0.16 0.25 -1.63 1.57 0.00 0.00 0.00 179.25 179.28 1t3i h LYS 141 N 0.53 0.00 0.00 0.00 -0.00 -0.86 -3.40 116.57 112.84 1t3i h LYS 141 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.80 1t3i h LYS 141 Cb -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.19 1t3i h LYS 141 CO -0.03 0.46 -1.31 0.25 -0.00 0.00 0.00 179.45 178.82 1t3i n THR 142 N -3.02 0.00 -0.53 0.07 -2.24 0.60 -4.98 114.28 104.18 1t3i n THR 142 Ca -0.15 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1t3i n THR 142 Cb 1.01 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 1t3i n THR 142 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t3i n GLY 143 N 1.48 0.76 3.71 3.38 0.00 0.74 -1.40 105.19 113.86 1t3i n GLY 143 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1t3i n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3i s ALA 144 N -3.05 1.86 0.01 4.61 0.00 -1.21 -2.24 121.76 121.73 1t3i s ALA 144 Ca 0.00 0.67 0.07 0.00 0.00 0.00 0.00 51.96 52.70 1t3i s ALA 144 Cb 0.00 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 1t3i s ALA 144 CO 0.00 -2.25 -0.21 0.14 0.00 0.00 0.00 175.76 173.44 1t3i s VAL 145 N -2.40 1.64 -0.06 0.00 -7.23 0.57 -4.59 120.40 108.33 1t3i s VAL 145 Ca 0.69 -1.01 -0.10 0.00 -1.81 0.00 0.00 61.98 59.75 1t3i s VAL 145 Cb -0.25 -1.39 -0.05 0.00 0.56 0.00 0.00 36.38 35.25 1t3i s VAL 145 CO 0.52 0.36 0.27 -0.76 -0.31 0.00 0.00 175.10 175.18 1t3i s LEU 146 N -0.77 4.43 0.04 1.32 1.02 -1.26 -0.58 118.68 122.88 1t3i s LEU 146 Ca 0.08 0.70 0.07 0.00 0.02 0.00 0.00 54.13 54.99 1t3i s LEU 146 Cb -0.08 -2.34 -0.02 0.00 0.02 0.00 0.00 46.19 43.76 1t3i s LEU 146 CO 0.00 0.36 -0.19 -0.54 0.02 0.00 0.00 176.35 176.01 1t3i s LYS 147 N -1.10 1.24 -0.12 1.70 1.02 -0.30 -4.94 119.74 117.24 1t3i s LYS 147 Ca 0.20 -0.89 0.03 0.00 0.02 0.00 0.00 55.97 55.33 1t3i s LYS 147 Cb -0.14 -1.32 0.00 0.00 -0.52 0.00 0.00 37.83 35.85 1t3i s LYS 147 CO 0.09 0.33 -0.22 -0.06 -0.92 0.00 0.00 175.35 174.57 1t3i s PHE 148 N -0.82 2.62 0.04 3.18 0.08 -1.26 -0.96 117.98 120.86 1t3i s PHE 148 Ca 0.06 -1.12 -0.30 0.00 0.12 0.00 0.00 56.93 55.68 1t3i s PHE 148 Cb -0.08 -1.76 -0.05 0.00 -0.57 0.00 0.00 43.02 40.56 1t3i s PHE 148 CO 0.02 -0.47 1.15 0.08 -0.10 0.00 0.00 175.22 175.90 1t3i s VAL 149 N 0.51 4.21 0.81 -0.44 1.01 0.27 -4.80 120.40 121.98 1t3i s VAL 149 Ca -0.14 1.59 -0.11 0.00 0.00 0.00 0.00 61.98 63.31 1t3i s VAL 149 Cb -0.17 -4.02 0.10 0.00 0.00 0.00 0.00 36.38 32.29 1t3i s VAL 149 CO 0.05 0.12 1.16 0.00 0.00 0.00 0.00 175.10 176.43 1t3i s GLN 150 N 1.08 1.80 0.20 2.72 -2.07 -1.26 -2.03 119.66 120.11 1t3i s GLN 150 Ca 0.57 -0.07 -0.13 0.00 -1.82 0.00 0.00 55.36 53.91 1t3i s GLN 150 Cb -0.28 -1.99 -0.07 0.00 -1.09 0.00 0.00 33.01 29.58 1t3i s GLN 150 CO 0.29 -1.65 0.58 -0.51 -1.32 0.00 0.00 175.29 172.68 1t3i s LEU 151 N -5.55 4.24 0.00 2.60 1.43 -1.26 -2.29 118.68 117.85 1t3i s LEU 151 Ca 0.64 1.06 -0.00 0.00 -1.03 0.00 0.00 54.13 54.79 1t3i s LEU 151 Cb -0.10 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.62 1t3i s LEU 151 CO 0.49 -0.00 0.25 -0.90 0.23 0.00 0.00 176.35 176.42 1t3i n ASP 152 N 0.30 0.35 0.24 2.29 3.85 0.44 -4.79 116.55 119.23 1t3i n ASP 152 Ca -0.02 -1.29 0.16 0.00 -0.71 0.00 0.00 54.79 52.93 1t3i n ASP 152 Cb 0.52 -0.16 0.84 0.00 -1.35 0.00 0.00 41.12 40.97 1t3i n ASP 152 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1t3i h GLU 153 N 0.00 0.00 -0.77 0.11 4.11 -1.97 -0.12 114.58 115.94 1t3i h GLU 153 Ca -0.08 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.19 1t3i h GLU 153 Cb 0.31 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.47 1t3i h GLU 153 CO 0.09 0.00 0.20 1.04 0.07 0.00 0.00 179.01 180.41 1t3i n GLN 154 N -3.89 3.57 -3.95 1.06 6.02 -1.26 -4.91 117.38 114.03 1t3i n GLN 154 Ca -0.00 -2.69 -0.26 0.00 -0.01 0.00 0.00 57.00 54.04 1t3i n GLN 154 Cb 0.23 -2.12 -0.01 0.00 1.02 0.00 0.00 30.24 29.36 1t3i n GLN 154 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1t3i n GLU 155 N 0.02 -3.64 -4.24 -1.09 1.02 -0.06 -2.40 120.64 110.25 1t3i n GLU 155 Ca 0.34 0.44 -0.22 0.00 -0.02 0.00 0.00 57.16 57.70 1t3i n GLU 155 Cb 1.23 -4.75 -0.07 0.00 -0.02 0.00 0.00 31.44 27.84 1t3i n GLU 155 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1t3i n SER 156 N -2.95 0.30 -4.68 1.62 7.64 -1.26 -4.11 113.62 110.19 1t3i n SER 156 Ca -0.24 -3.11 -0.45 0.00 1.01 0.00 0.00 58.87 56.08 1t3i n SER 156 Cb 0.65 1.29 -0.04 0.00 -1.01 0.00 0.00 64.21 65.11 1t3i n SER 156 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1t3i n PHE 157 N -0.75 2.45 -2.81 1.43 7.35 -1.26 -0.42 117.46 123.45 1t3i n PHE 157 Ca 0.01 -0.12 -0.43 0.00 -0.76 0.00 0.00 57.45 56.15 1t3i n PHE 157 Cb 0.59 -2.71 -0.03 0.00 0.35 0.00 0.00 39.48 37.68 1t3i n PHE 157 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1t3i s ASP 158 N 3.47 6.34 0.24 -2.13 -1.08 -0.97 -4.65 116.67 117.90 1t3i s ASP 158 Ca 0.87 -1.29 -0.06 0.00 -0.52 0.00 0.00 52.55 51.56 1t3i s ASP 158 Cb -0.56 -2.45 0.24 0.00 -1.46 0.00 0.00 42.92 38.69 1t3i s ASP 158 CO 0.44 -1.39 1.87 0.25 0.52 0.00 0.00 175.17 176.86 1t3i h LEU 159 N 11.45 1.12 -0.45 -1.34 5.85 -1.90 -1.06 115.31 128.97 1t3i h LEU 159 Ca -0.10 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 1t3i h LEU 159 Cb 1.05 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1t3i h LEU 159 CO 1.20 0.88 -0.06 -0.33 -0.34 0.00 0.00 178.44 179.79 1t3i h GLU 160 N 1.27 0.84 -0.78 1.25 4.39 -1.99 -1.80 114.58 117.76 1t3i h GLU 160 Ca 0.32 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 1t3i h GLU 160 Cb -0.01 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.55 1t3i h GLU 160 CO -0.06 0.93 0.39 1.25 -1.16 0.00 0.00 179.01 180.36 1t3i h HIS 161 N 0.68 1.11 -0.66 4.33 2.76 -1.88 -2.06 115.15 119.44 1t3i h HIS 161 Ca 0.12 -0.05 0.08 0.00 -2.20 0.00 0.00 60.37 58.32 1t3i h HIS 161 Cb 0.59 -0.35 -0.06 0.00 1.55 0.00 0.00 27.41 29.14 1t3i h HIS 161 CO 0.05 0.81 0.34 0.35 -1.30 0.00 0.00 177.93 178.17 1t3i h PHE 162 N 1.10 0.61 -0.60 5.26 3.57 -0.89 -1.12 116.94 124.87 1t3i h PHE 162 Ca 0.27 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.82 1t3i h PHE 162 Cb 0.10 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1t3i h PHE 162 CO 0.01 0.25 0.40 0.87 -2.23 0.00 0.00 178.31 177.61 1t3i h LYS 163 N 0.60 0.73 0.00 1.11 1.57 -0.63 -1.49 116.57 118.45 1t3i h LYS 163 Ca 0.31 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1t3i h LYS 163 Cb 0.28 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1t3i h LYS 163 CO -0.23 0.48 -0.12 1.79 -0.57 0.00 0.00 179.45 180.80 1t3i h THR 164 N 0.75 0.30 0.00 -0.16 1.35 -0.84 -3.01 112.91 111.31 1t3i h THR 164 Ca 0.23 -0.85 -0.10 0.00 -0.55 0.00 0.00 66.41 65.14 1t3i h THR 164 Cb 0.00 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 1t3i h THR 164 CO -0.06 0.12 -0.59 -0.07 -0.25 0.00 0.00 175.52 174.67 1t3i h LEU 165 N 0.00 0.00 -9.76 3.87 3.38 -0.90 -3.45 115.31 108.44 1t3i h LEU 165 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1t3i h LEU 165 Cb 0.65 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.46 1t3i h LEU 165 CO 0.02 0.45 0.78 -0.76 0.09 0.00 0.00 178.44 179.01 1t3i s LEU 166 N -6.32 4.38 0.00 1.67 1.43 -1.12 -4.91 118.68 113.82 1t3i s LEU 166 Ca 0.03 2.72 -0.02 0.00 -1.03 0.00 0.00 54.13 55.84 1t3i s LEU 166 Cb 0.07 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.67 1t3i s LEU 166 CO 0.75 -0.73 0.16 -1.54 0.23 0.00 0.00 176.35 175.22 1t3i n SER 167 N 2.20 -0.46 0.25 2.29 3.41 -1.26 -5.01 113.62 115.05 1t3i n SER 167 Ca 0.07 -1.49 0.17 0.00 -0.26 0.00 0.00 58.87 57.35 1t3i n SER 167 Cb 0.40 0.81 0.69 0.00 -0.26 0.00 0.00 64.21 65.85 1t3i n SER 167 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1t3i h GLU 168 N 0.00 0.00 0.00 4.33 9.09 -1.94 -2.82 114.58 123.24 1t3i h GLU 168 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.33 1t3i h GLU 168 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.43 1t3i h GLU 168 CO 0.11 0.00 -0.56 0.36 0.05 0.00 0.00 179.01 178.96 1t3i n LYS 169 N -2.91 0.14 -1.86 1.06 -0.00 -1.26 -4.89 118.16 108.44 1t3i n LYS 169 Ca 0.01 0.03 -0.43 0.00 -0.00 0.00 0.00 58.31 57.92 1t3i n LYS 169 Cb 0.27 -1.58 -0.03 0.00 -0.00 0.00 0.00 35.03 33.69 1t3i n LYS 169 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1t3i s THR 170 N -3.08 3.32 -0.01 0.58 2.01 -1.07 -0.95 115.64 116.45 1t3i s THR 170 Ca 0.09 0.37 0.05 0.00 0.31 0.00 0.00 61.69 62.51 1t3i s THR 170 Cb 0.16 -3.32 -0.08 0.00 0.01 0.00 0.00 72.50 69.27 1t3i s THR 170 CO 0.71 -0.13 0.10 0.29 -0.69 0.00 0.00 174.62 174.90 1t3i n LYS 171 N 7.89 0.55 -3.77 4.92 4.76 -0.57 -4.05 118.16 127.89 1t3i n LYS 171 Ca 0.22 -0.04 -0.13 0.00 -2.87 0.00 0.00 58.31 55.49 1t3i n LYS 171 Cb 0.44 -1.12 -0.12 0.00 -1.84 0.00 0.00 35.03 32.39 1t3i n LYS 171 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1t3i s LEU 172 N -3.48 0.88 -0.15 -0.35 2.96 -1.16 -1.54 118.68 115.84 1t3i s LEU 172 Ca -0.02 0.54 0.00 0.00 -0.22 0.00 0.00 54.13 54.43 1t3i s LEU 172 Cb 0.03 0.89 0.03 0.00 0.50 0.00 0.00 46.19 47.64 1t3i s LEU 172 CO 0.21 -0.10 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.33 1t3i s VAL 173 N 0.33 1.44 -0.14 1.68 1.01 0.29 -0.21 120.40 124.80 1t3i s VAL 173 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1t3i s VAL 173 Cb -0.03 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.94 1t3i s VAL 173 CO -0.01 0.35 -0.12 0.28 0.00 0.00 0.00 175.10 175.59 1t3i s THR 174 N 1.52 1.43 0.03 3.92 -1.32 -0.21 -0.81 115.64 120.20 1t3i s THR 174 Ca 0.03 -0.54 -0.01 0.00 -1.21 0.00 0.00 61.69 59.96 1t3i s THR 174 Cb -0.14 -1.36 -0.02 0.00 -1.51 0.00 0.00 72.50 69.47 1t3i s THR 174 CO -0.09 0.44 -0.02 0.68 -2.21 0.00 0.00 174.62 173.41 1t3i s VAL 175 N 1.54 0.14 0.33 5.08 -7.23 -0.69 -4.20 120.40 115.37 1t3i s VAL 175 Ca 0.05 -1.14 -0.27 0.00 -1.81 0.00 0.00 61.98 58.81 1t3i s VAL 175 Cb -0.13 -0.62 -0.09 0.00 0.56 0.00 0.00 36.38 36.10 1t3i s VAL 175 CO -0.10 -0.63 1.02 0.54 -0.31 0.00 0.00 175.10 175.62 1t3i s VAL 176 N -2.14 3.85 -0.07 1.32 0.11 -1.26 -1.20 120.40 121.02 1t3i s VAL 176 Ca -0.10 1.62 -0.15 0.00 -2.93 0.00 0.00 61.98 60.42 1t3i s VAL 176 Cb -0.05 -3.93 -0.11 0.00 -1.53 0.00 0.00 36.38 30.76 1t3i s VAL 176 CO -0.03 0.20 0.58 -0.74 -3.33 0.00 0.00 175.10 171.78 1t3i h HIS 177 N 3.24 -0.23 -3.28 1.54 2.76 -1.24 -3.41 115.15 114.53 1t3i h HIS 177 Ca -0.47 -0.01 -0.56 0.00 -2.20 0.00 0.00 60.37 57.14 1t3i h HIS 177 Cb 1.21 0.07 -0.35 0.00 1.55 0.00 0.00 27.41 29.89 1t3i h HIS 177 CO 0.60 0.08 -0.82 0.42 -1.30 0.00 0.00 177.93 176.90 1t3i s ILE 178 N -2.84 1.31 0.21 6.26 1.01 -1.26 0.06 121.20 125.95 1t3i s ILE 178 Ca -0.09 -0.52 -0.30 0.00 0.00 0.00 0.00 60.65 59.74 1t3i s ILE 178 Cb 0.00 -1.22 -0.09 0.00 0.01 0.00 0.00 42.46 41.16 1t3i s ILE 178 CO 0.31 0.40 1.36 -0.55 0.00 0.00 0.00 174.94 176.46 1t3i s SER 179 N 1.09 6.82 0.00 3.58 0.15 -0.85 -4.46 113.70 120.02 1t3i s SER 179 Ca -0.05 2.48 0.31 0.00 0.70 0.00 0.00 55.95 59.38 1t3i s SER 179 Cb -0.14 -2.61 1.74 0.00 -1.71 0.00 0.00 66.02 63.29 1t3i s SER 179 CO -0.02 -0.59 2.13 -0.46 1.20 0.00 0.00 173.24 175.50 1t3i n ASN 180 N 2.60 0.00 0.04 5.45 6.94 -1.26 -1.85 115.26 127.18 1t3i n ASN 180 Ca 0.07 -0.71 -0.01 0.00 -0.02 0.00 0.00 54.58 53.91 1t3i n ASN 180 Cb 0.42 -0.09 -0.00 0.00 -2.36 0.00 0.00 39.78 37.75 1t3i n ASN 180 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1t3i n THR 181 N -1.09 1.18 0.14 5.53 -1.04 -1.26 -4.80 114.28 112.94 1t3i n THR 181 Ca 0.20 0.36 0.00 0.00 -2.04 0.00 0.00 64.05 62.58 1t3i n THR 181 Cb 0.15 -1.64 0.15 0.00 -1.82 0.00 0.00 70.33 67.17 1t3i n THR 181 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1t3i h LEU 182 N -0.08 0.00 0.00 -4.42 3.38 -1.87 -3.37 115.31 108.95 1t3i h LEU 182 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1t3i h LEU 182 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1t3i h LEU 182 CO -0.00 0.60 0.00 0.61 0.09 0.00 0.00 178.44 179.74 1t3i n GLY 183 N 0.55 0.59 3.77 0.83 0.00 -0.77 -4.17 105.19 105.98 1t3i n GLY 183 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1t3i n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3i s VAL 185 N -1.32 5.03 0.33 0.00 1.01 -1.26 -2.01 120.40 122.19 1t3i s VAL 185 Ca 0.49 0.16 -0.26 0.00 0.00 0.00 0.00 61.98 62.37 1t3i s VAL 185 Cb -0.29 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 32.01 1t3i s VAL 185 CO 0.37 -0.27 0.96 0.20 0.00 0.00 0.00 175.10 176.35 1t3i s ASN 186 N 1.79 7.27 -0.78 3.32 0.01 0.11 -4.91 114.94 121.74 1t3i s ASN 186 Ca 0.17 1.85 -0.18 0.00 -0.71 0.00 0.00 52.86 54.00 1t3i s ASN 186 Cb -0.16 -2.58 -0.13 0.00 0.41 0.00 0.00 41.25 38.79 1t3i s ASN 186 CO 0.14 -0.12 1.95 -0.81 -1.51 0.00 0.00 177.10 176.75 1t3i n PRO 187 N 0.46 1.60 -0.19 -0.60 -0.04 -1.26 -4.77 135.00 130.20 1t3i n PRO 187 Ca 0.02 -1.72 -0.02 0.00 -0.04 0.00 0.00 63.50 61.74 1t3i n PRO 187 Cb 0.50 -2.79 0.05 0.00 -0.04 0.00 0.00 33.50 31.22 1t3i n PRO 187 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1t3i h ALA 188 N 7.54 0.37 0.15 0.55 0.00 -1.91 0.15 119.26 126.10 1t3i h ALA 188 Ca 0.43 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.56 1t3i h ALA 188 Cb 0.54 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1t3i h ALA 188 CO 1.83 -0.43 -0.07 1.49 0.00 0.00 0.00 179.25 182.06 1t3i h GLU 189 N -0.00 -0.19 -0.45 0.00 4.81 -1.86 -0.45 114.58 116.44 1t3i h GLU 189 Ca 0.27 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.43 1t3i h GLU 189 Cb 0.42 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1t3i h GLU 189 CO -0.59 -0.10 -0.07 1.49 -0.73 0.00 0.00 179.01 179.01 1t3i h GLU 190 N -0.22 0.78 -0.82 1.92 4.81 -1.80 -1.27 114.58 117.98 1t3i h GLU 190 Ca -0.02 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1t3i h GLU 190 Cb 0.17 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1t3i h GLU 190 CO 0.03 0.83 0.53 0.82 -0.73 0.00 0.00 179.01 180.49 1t3i h ILE 191 N 0.71 1.22 -0.59 2.32 2.04 -0.53 -0.99 117.51 121.69 1t3i h ILE 191 Ca 0.13 -0.42 -0.10 0.00 1.00 0.00 0.00 64.86 65.47 1t3i h ILE 191 Cb 0.53 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1t3i h ILE 191 CO 0.03 0.22 -0.01 0.00 0.00 0.00 0.00 178.15 178.39 1t3i h ALA 192 N 1.29 0.87 0.01 1.87 0.00 -0.61 -0.19 119.26 122.50 1t3i h ALA 192 Ca 0.30 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1t3i h ALA 192 Cb -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1t3i h ALA 192 CO -0.06 0.66 -0.00 0.37 0.00 0.00 0.00 179.25 180.22 1t3i h GLN 193 N 0.95 -0.01 -0.57 0.00 4.15 -0.67 0.30 115.11 119.26 1t3i h GLN 193 Ca 0.17 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.52 1t3i h GLN 193 Cb 0.55 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 1t3i h GLN 193 CO 0.03 0.03 0.10 -0.07 -1.93 0.00 0.00 178.83 176.99 1t3i h LEU 194 N -0.05 0.91 -0.19 -2.39 3.38 -1.10 -1.75 115.31 114.13 1t3i h LEU 194 Ca -0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1t3i h LEU 194 Cb 0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1t3i h LEU 194 CO 0.00 0.94 0.09 0.00 0.09 0.00 0.00 178.44 179.56 1t3i h ALA 195 N 1.01 0.24 -0.24 1.53 0.00 -0.85 -2.18 119.26 118.76 1t3i h ALA 195 Ca 0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1t3i h ALA 195 Cb 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1t3i h ALA 195 CO 0.01 -0.20 -0.01 0.45 0.00 0.00 0.00 179.25 179.50 1t3i h HIS 196 N 0.17 0.36 -0.20 0.00 3.86 -0.86 0.04 115.15 118.52 1t3i h HIS 196 Ca 0.06 -0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.16 1t3i h HIS 196 Cb 0.12 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 1t3i h HIS 196 CO -0.03 0.38 -0.26 1.96 0.86 0.00 0.00 177.93 180.85 1t3i h GLN 197 N 0.35 0.38 -0.00 2.45 4.20 -1.03 -1.49 115.11 119.97 1t3i h GLN 197 Ca 0.08 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1t3i h GLN 197 Cb 0.26 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1t3i h GLN 197 CO 0.01 0.61 -0.06 0.00 -0.67 0.00 0.00 178.83 178.72 1t3i n ALA 198 N -2.48 2.54 -0.56 3.87 0.00 -0.50 -4.91 120.51 118.47 1t3i n ALA 198 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1t3i n ALA 198 Cb 0.39 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1t3i n ALA 198 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t3i n GLY 199 N 1.40 0.66 3.91 0.00 0.00 -0.56 -4.86 105.19 105.75 1t3i n GLY 199 Ca 0.10 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 1t3i n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3i s ALA 200 N -2.00 4.00 0.18 4.61 0.00 -0.12 -4.82 121.76 123.60 1t3i s ALA 200 Ca 0.00 -1.54 0.02 0.00 0.00 0.00 0.00 51.96 50.44 1t3i s ALA 200 Cb 0.00 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 1t3i s ALA 200 CO 0.00 0.02 0.32 0.15 0.00 0.00 0.00 175.76 176.25 1t3i s LYS 201 N -4.06 3.46 -0.08 0.00 -0.14 -0.59 -3.87 119.74 114.47 1t3i s LYS 201 Ca 0.42 -0.56 0.02 0.00 -1.36 0.00 0.00 55.97 54.49 1t3i s LYS 201 Cb -0.08 -2.92 0.01 0.00 -1.68 0.00 0.00 37.83 33.17 1t3i s LYS 201 CO 0.28 0.47 -0.13 0.08 -0.76 0.00 0.00 175.35 175.30 1t3i s VAL 202 N -1.82 1.23 -0.09 3.17 1.01 -1.26 -0.55 120.40 122.09 1t3i s VAL 202 Ca 0.35 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1t3i s VAL 202 Cb -0.11 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1t3i s VAL 202 CO 0.29 0.38 -0.14 -0.22 0.00 0.00 0.00 175.10 175.41 1t3i s LEU 203 N 0.79 2.72 -0.16 3.92 0.20 0.01 -0.99 118.68 125.17 1t3i s LEU 203 Ca -0.12 -0.27 0.00 0.00 0.69 0.00 0.00 54.13 54.44 1t3i s LEU 203 Cb -0.15 -1.58 0.00 0.00 -0.43 0.00 0.00 46.19 44.02 1t3i s LEU 203 CO 0.02 0.25 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.48 1t3i s VAL 204 N -0.17 2.58 -0.69 1.68 1.01 -0.21 -1.70 120.40 122.90 1t3i s VAL 204 Ca -0.00 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 60.97 1t3i s VAL 204 Cb -0.13 -2.08 0.09 0.00 0.00 0.00 0.00 36.38 34.25 1t3i s VAL 204 CO 0.03 0.52 0.92 -0.62 0.00 0.00 0.00 175.10 175.95 1t3i s ASP 205 N 0.85 6.25 -0.41 3.32 -1.08 -0.34 -1.78 116.67 123.49 1t3i s ASP 205 Ca -0.05 -1.30 0.06 0.00 -0.52 0.00 0.00 52.55 50.74 1t3i s ASP 205 Cb -0.15 -2.38 0.70 0.00 -1.46 0.00 0.00 42.92 39.62 1t3i s ASP 205 CO -0.01 -1.29 1.88 0.00 0.52 0.00 0.00 175.17 176.27 1t3i n ALA 206 N 7.12 5.26 -0.03 3.66 0.00 -0.41 -0.67 120.51 135.44 1t3i n ALA 206 Ca -0.01 -2.72 0.08 0.00 0.00 0.00 0.00 53.44 50.79 1t3i n ALA 206 Cb 0.45 -1.37 0.47 0.00 0.00 0.00 0.00 19.45 19.00 1t3i n ALA 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3i n GLN 208 N -4.48 0.04 -0.10 0.00 1.13 -1.26 -4.37 117.38 108.33 1t3i n GLN 208 Ca 0.06 -0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 54.93 1t3i n GLN 208 Cb 0.21 -1.51 -0.12 0.00 0.11 0.00 0.00 30.24 28.93 1t3i n GLN 208 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1t3i n SER 209 N -1.56 2.01 -0.34 1.08 3.41 -0.79 -4.28 113.62 113.15 1t3i n SER 209 Ca 0.04 -0.07 0.16 0.00 -0.26 0.00 0.00 58.87 58.75 1t3i n SER 209 Cb 0.35 -0.51 0.37 0.00 -0.26 0.00 0.00 64.21 64.16 1t3i n SER 209 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t3i h ALA 210 N 0.01 1.79 0.00 7.33 0.00 -1.16 0.45 119.26 127.67 1t3i h ALA 210 Ca -0.55 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1t3i h ALA 210 Cb 1.92 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 1t3i h ALA 210 CO -0.06 -0.21 -0.28 -1.35 0.00 0.00 0.00 179.25 177.35 1t3i h PRO 211 N 0.65 0.00 0.00 0.00 0.11 -1.78 -3.40 132.00 127.57 1t3i h PRO 211 Ca 0.61 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.72 1t3i h PRO 211 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1t3i h PRO 211 CO -0.41 0.21 -0.91 0.72 -0.21 0.00 0.00 178.00 177.40 1t3i n HIS 212 N -3.13 0.00 -5.03 0.65 8.25 -0.66 -4.98 115.22 110.33 1t3i n HIS 212 Ca 0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.20 1t3i n HIS 212 Cb 0.62 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.57 1t3i n HIS 212 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1t3i s TYR 213 N -1.83 2.10 0.13 4.41 5.04 0.15 -3.92 117.35 123.43 1t3i s TYR 213 Ca 0.00 -0.70 -0.33 0.00 -2.44 0.00 0.00 57.07 53.60 1t3i s TYR 213 Cb 0.00 -1.41 -0.13 0.00 0.35 0.00 0.00 41.96 40.77 1t3i s TYR 213 CO 0.00 -0.25 1.68 -2.30 -1.34 0.00 0.00 175.55 173.33 1t3i n PRO 214 N 3.25 2.33 -4.51 4.97 -0.02 -1.26 -4.51 135.00 135.25 1t3i n PRO 214 Ca -0.19 0.84 -0.34 0.00 -2.02 0.00 0.00 63.50 61.80 1t3i n PRO 214 Cb 0.52 -2.65 -0.12 0.00 -0.02 0.00 0.00 33.50 31.23 1t3i n PRO 214 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1t3i s LEU 215 N 1.66 3.18 -0.32 2.45 1.43 -1.26 -5.07 118.68 120.74 1t3i s LEU 215 Ca 0.81 -0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 53.78 1t3i s LEU 215 Cb -0.63 -1.74 0.11 0.00 0.03 0.00 0.00 46.19 43.96 1t3i s LEU 215 CO 0.39 0.23 0.15 -0.62 0.23 0.00 0.00 176.35 176.73 1t3i s ASP 216 N -0.04 3.58 0.47 2.29 -1.08 -1.26 -4.01 116.67 116.63 1t3i s ASP 216 Ca 0.00 -1.71 0.23 0.00 -0.52 0.00 0.00 52.55 50.56 1t3i s ASP 216 Cb -0.13 -0.58 1.16 0.00 -1.46 0.00 0.00 42.92 41.90 1t3i s ASP 216 CO 0.03 -0.39 1.95 -0.37 0.52 0.00 0.00 175.17 176.91 1t3i h VAL 217 N 6.04 0.71 -0.03 1.11 -1.51 -1.34 -1.89 116.25 119.33 1t3i h VAL 217 Ca -0.11 -0.85 -0.17 0.00 -1.23 0.00 0.00 66.70 64.34 1t3i h VAL 217 Cb 0.99 1.53 -0.01 0.00 -2.13 0.00 0.00 31.29 31.67 1t3i h VAL 217 CO 0.42 0.20 -0.75 1.56 -1.23 0.00 0.00 177.57 177.77 1t3i h GLN 218 N 0.00 0.19 -0.05 5.19 4.20 -1.80 0.26 115.11 123.10 1t3i h GLN 218 Ca -0.00 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 1t3i h GLN 218 Cb 0.51 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1t3i h GLN 218 CO 0.03 0.85 -0.18 1.25 -0.67 0.00 0.00 178.83 180.10 1t3i h LEU 219 N 0.12 0.25 -0.60 1.46 5.85 -1.80 -3.19 115.31 117.40 1t3i h LEU 219 Ca -0.02 -0.64 -0.01 0.00 0.84 0.00 0.00 57.88 58.05 1t3i h LEU 219 Cb 1.32 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1t3i h LEU 219 CO 0.11 0.84 -0.07 0.16 -0.34 0.00 0.00 178.44 179.14 1t3i h ILE 220 N -0.33 0.14 -4.25 4.05 3.07 -1.41 -3.46 117.51 115.31 1t3i h ILE 220 Ca -0.01 -0.96 -0.40 0.00 1.55 0.00 0.00 64.86 65.04 1t3i h ILE 220 Cb 0.83 1.85 0.03 0.00 -0.27 0.00 0.00 36.82 39.25 1t3i h ILE 220 CO 0.04 0.07 -0.58 -0.67 -1.05 0.00 0.00 178.15 175.96 1t3i n ASP 221 N -3.14 -5.76 -4.79 2.16 2.03 0.08 -4.25 116.55 102.88 1t3i n ASP 221 Ca 0.02 -0.22 -0.34 0.00 0.52 0.00 0.00 54.79 54.77 1t3i n ASP 221 Cb 0.46 -4.70 -0.00 0.00 -0.72 0.00 0.00 41.12 36.16 1t3i n ASP 221 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t3i h ASP 223 N 1.08 0.22 -5.07 0.00 5.19 -1.44 -3.44 116.42 112.95 1t3i h ASP 223 Ca -0.49 -0.25 -0.13 0.00 -0.62 0.00 0.00 57.03 55.54 1t3i h ASP 223 Cb 1.24 -0.07 -0.18 0.00 0.18 0.00 0.00 39.33 40.50 1t3i h ASP 223 CO 0.57 1.20 -0.54 0.26 -3.12 0.00 0.00 179.24 177.61 1t3i s TRP 224 N -2.67 0.21 -0.12 4.55 0.51 -0.90 -1.56 118.94 118.95 1t3i s TRP 224 Ca -0.02 -0.50 -0.12 0.00 -2.12 0.00 0.00 56.10 53.34 1t3i s TRP 224 Cb 0.08 -0.15 0.03 0.00 -0.81 0.00 0.00 33.47 32.63 1t3i s TRP 224 CO 0.85 -0.34 0.33 -1.17 -0.51 0.00 0.00 176.95 176.11 1t3i s LEU 225 N -2.04 0.73 0.12 2.99 0.20 -0.39 -1.05 118.68 119.24 1t3i s LEU 225 Ca -0.06 0.65 0.08 0.00 0.69 0.00 0.00 54.13 55.48 1t3i s LEU 225 Cb -0.02 1.15 -0.04 0.00 -0.43 0.00 0.00 46.19 46.85 1t3i s LEU 225 CO -0.04 -0.13 -0.19 0.68 -0.29 0.00 0.00 176.35 176.38 1t3i s VAL 226 N 0.11 1.67 0.06 1.68 -7.23 -0.73 -0.14 120.40 115.83 1t3i s VAL 226 Ca -0.01 -1.63 -0.18 0.00 -1.81 0.00 0.00 61.98 58.36 1t3i s VAL 226 Cb -0.02 -1.59 0.04 0.00 0.56 0.00 0.00 36.38 35.36 1t3i s VAL 226 CO 0.01 -0.16 0.41 0.00 -0.31 0.00 0.00 175.10 175.05 1t3i s ALA 227 N -1.45 -0.99 -0.14 1.32 0.00 -1.00 -1.28 121.76 118.21 1t3i s ALA 227 Ca 0.08 0.23 -0.01 0.00 0.00 0.00 0.00 51.96 52.26 1t3i s ALA 227 Cb -0.09 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 1t3i s ALA 227 CO 0.05 -0.50 -0.11 -1.12 0.00 0.00 0.00 175.76 174.07 1t3i s SER 228 N -2.20 4.14 0.33 0.00 0.01 -1.26 -1.83 113.70 112.89 1t3i s SER 228 Ca -0.03 -0.30 0.04 0.00 1.31 0.00 0.00 55.95 56.96 1t3i s SER 228 Cb -0.00 -1.64 0.58 0.00 0.21 0.00 0.00 66.02 65.17 1t3i s SER 228 CO -0.05 0.15 1.87 1.23 0.41 0.00 0.00 173.24 176.86 1t3i h GLY 229 N 6.81 0.60 2.00 3.44 0.00 -1.51 -2.94 103.07 111.47 1t3i h GLY 229 Ca -0.28 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1t3i h GLY 229 CO 0.57 0.33 0.00 1.12 0.00 0.00 0.00 176.54 178.56 1t3i h HIS 230 N 0.54 0.00 -0.00 5.60 2.07 -1.64 -0.27 115.15 121.44 1t3i h HIS 230 Ca 0.12 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.64 1t3i h HIS 230 Cb 0.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.30 1t3i h HIS 230 CO 0.01 0.00 -0.51 1.63 -3.07 0.00 0.00 177.93 175.99 1t3i n LYS 231 N -2.76 0.24 -2.47 5.12 5.02 -1.11 -1.60 118.16 120.59 1t3i n LYS 231 Ca -0.01 -0.15 -0.24 0.00 -2.02 0.00 0.00 58.31 55.89 1t3i n LYS 231 Cb 0.14 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.66 1t3i n LYS 231 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1t3i n MET 232 N -1.25 3.13 -1.15 1.97 0.00 -0.23 -4.46 117.12 115.14 1t3i n MET 232 Ca 0.07 -4.31 -0.05 0.00 0.00 0.00 0.00 57.70 53.41 1t3i n MET 232 Cb 0.34 -2.12 -0.02 0.00 0.00 0.00 0.00 33.22 31.43 1t3i n MET 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1t3i s ALA 234 N -1.78 3.82 0.89 0.00 0.00 -0.53 -4.58 121.76 119.58 1t3i s ALA 234 Ca 0.00 -1.64 -0.11 0.00 0.00 0.00 0.00 51.96 50.21 1t3i s ALA 234 Cb 0.00 -1.17 0.13 0.00 0.00 0.00 0.00 23.12 22.08 1t3i s ALA 234 CO 0.00 0.02 1.09 -1.25 0.00 0.00 0.00 175.76 175.63 1t3i s PRO 235 N -3.98 1.26 0.87 0.00 0.04 -1.26 -3.71 135.00 128.22 1t3i s PRO 235 Ca 0.40 0.89 -0.12 0.00 0.04 0.00 0.00 61.00 62.22 1t3i s PRO 235 Cb -0.06 -1.80 0.11 0.00 0.04 0.00 0.00 34.50 32.79 1t3i s PRO 235 CO 0.26 -2.26 1.10 0.95 0.04 0.00 0.00 177.00 177.09 1t3i s THR 236 N -2.90 2.68 0.00 1.26 -4.23 -1.26 -3.67 115.64 107.52 1t3i s THR 236 Ca 0.64 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.37 1t3i s THR 236 Cb -0.18 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.83 1t3i s THR 236 CO 0.57 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.97 1t3i n GLY 237 N -1.57 0.53 2.88 3.99 0.00 -1.25 -4.97 105.19 104.80 1t3i n GLY 237 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 1t3i n GLY 237 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1t3i s ILE 238 N -2.25 -0.04 0.29 -0.61 1.10 -0.33 -4.46 121.20 114.90 1t3i s ILE 238 Ca 0.00 0.15 -0.02 0.00 -0.51 0.00 0.00 60.65 60.27 1t3i s ILE 238 Cb 0.00 -0.16 0.01 0.00 0.15 0.00 0.00 42.46 42.46 1t3i s ILE 238 CO 0.00 0.06 0.42 0.61 -2.11 0.00 0.00 174.94 173.92 1t3i n GLY 239 N 3.93 2.22 3.31 1.50 0.00 0.81 -1.34 105.19 115.63 1t3i n GLY 239 Ca -0.24 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 44.12 1t3i n GLY 239 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1t3i s PHE 240 N -3.29 -0.22 -0.08 1.61 -0.12 -0.76 -0.79 117.98 114.33 1t3i s PHE 240 Ca 0.23 0.02 0.03 0.00 -0.05 0.00 0.00 56.93 57.17 1t3i s PHE 240 Cb -0.01 0.23 -0.02 0.00 -0.63 0.00 0.00 43.02 42.59 1t3i s PHE 240 CO 0.17 -0.64 -0.17 -1.17 -0.05 0.00 0.00 175.22 173.36 1t3i s LEU 241 N -2.46 2.52 -0.10 -1.99 2.96 0.74 -2.37 118.68 118.00 1t3i s LEU 241 Ca -0.01 -0.34 -0.00 0.00 -0.22 0.00 0.00 54.13 53.57 1t3i s LEU 241 Cb 0.01 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 1t3i s LEU 241 CO -0.08 0.25 -0.07 -0.47 -1.32 0.00 0.00 176.35 174.66 1t3i s TYR 242 N -0.20 2.93 -0.12 5.38 5.04 0.81 -0.75 117.35 130.44 1t3i s TYR 242 Ca -0.01 -0.16 -0.10 0.00 -2.44 0.00 0.00 57.07 54.36 1t3i s TYR 242 Cb -0.13 -1.79 0.03 0.00 0.35 0.00 0.00 41.96 40.42 1t3i s TYR 242 CO 0.03 0.16 0.30 0.20 -1.34 0.00 0.00 175.55 174.90 1t3i s GLY 243 N -0.35 -0.22 0.19 8.97 0.00 -0.54 -1.26 107.32 114.10 1t3i s GLY 243 Ca 0.05 0.91 -0.33 0.00 0.00 0.00 0.00 44.72 45.35 1t3i s GLY 243 CO 0.02 0.85 1.50 0.28 0.00 0.00 0.00 173.10 175.75 1t3i n LYS 244 N 3.14 2.04 -0.25 2.90 5.02 -0.60 -4.60 118.16 125.81 1t3i n LYS 244 Ca -0.15 0.73 0.05 0.00 -2.02 0.00 0.00 58.31 56.92 1t3i n LYS 244 Cb 0.57 -2.45 0.16 0.00 -0.02 0.00 0.00 35.03 33.29 1t3i n LYS 244 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1t3i h GLU 245 N 5.19 0.12 -0.81 1.97 4.81 -1.92 0.09 114.58 124.03 1t3i h GLU 245 Ca -0.45 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.81 1t3i h GLU 245 Cb 1.27 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.57 1t3i h GLU 245 CO 0.83 0.08 0.54 0.93 -0.73 0.00 0.00 179.01 180.66 1t3i h GLU 246 N 0.12 0.97 -0.13 1.92 5.08 -1.99 0.19 114.58 120.75 1t3i h GLU 246 Ca 0.41 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.63 1t3i h GLU 246 Cb 0.71 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1t3i h GLU 246 CO -0.63 0.64 -0.22 0.82 -1.00 0.00 0.00 179.01 178.62 1t3i h ILE 247 N 1.00 1.37 -0.38 3.13 2.04 -1.38 -2.45 117.51 120.84 1t3i h ILE 247 Ca 0.33 -1.47 -0.06 0.00 1.00 0.00 0.00 64.86 64.66 1t3i h ILE 247 Cb 0.05 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1t3i h ILE 247 CO -0.10 0.43 -0.00 -0.07 0.00 0.00 0.00 178.15 178.41 1t3i h LEU 248 N -0.03 0.57 -0.83 1.44 3.38 -0.89 -0.82 115.31 118.12 1t3i h LEU 248 Ca 0.01 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1t3i h LEU 248 Cb 0.80 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1t3i h LEU 248 CO 0.05 0.64 0.29 -0.08 0.09 0.00 0.00 178.44 179.43 1t3i h GLU 249 N 0.57 1.15 0.00 1.13 4.57 -0.58 -2.95 114.58 118.47 1t3i h GLU 249 Ca 0.12 -0.22 -0.17 0.00 -1.18 0.00 0.00 59.36 57.91 1t3i h GLU 249 Cb 0.37 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 1t3i h GLU 249 CO 0.01 0.94 -0.82 0.00 -1.18 0.00 0.00 179.01 177.96 1t3i h ALA 250 N 1.19 0.52 -2.84 2.92 0.00 -0.98 -3.46 119.26 116.62 1t3i h ALA 250 Ca 0.25 -0.75 -0.52 0.00 0.00 0.00 0.00 54.91 53.89 1t3i h ALA 250 Cb 0.24 -0.13 0.06 0.00 0.00 0.00 0.00 17.79 17.96 1t3i h ALA 250 CO -0.02 1.03 0.66 -1.64 0.00 0.00 0.00 179.25 179.28 1t3i s MET 251 N -2.91 4.34 0.59 0.00 -1.94 -0.35 -5.00 119.30 114.03 1t3i s MET 251 Ca 0.01 2.22 -0.15 0.00 -1.71 0.00 0.00 55.69 56.06 1t3i s MET 251 Cb 0.10 -3.09 -0.04 0.00 2.01 0.00 0.00 34.83 33.81 1t3i s MET 251 CO 0.79 -0.23 1.04 -1.25 -0.01 0.00 0.00 175.02 175.36 1t3i s PRO 252 N -1.42 3.40 0.85 2.03 0.04 -1.26 -4.96 135.00 133.68 1t3i s PRO 252 Ca 0.51 1.10 -0.12 0.00 0.04 0.00 0.00 61.00 62.53 1t3i s PRO 252 Cb -0.40 -2.05 0.10 0.00 0.04 0.00 0.00 34.50 32.20 1t3i s PRO 252 CO 0.50 -0.74 1.15 -0.35 0.04 0.00 0.00 177.00 177.60 1t3i n PRO 253 N -2.15 -0.06 0.00 0.56 -0.04 -1.26 -4.83 135.00 127.22 1t3i n PRO 253 Ca 0.08 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1t3i n PRO 253 Cb 0.53 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 1t3i n PRO 253 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1t3i n PHE 254 N -3.64 0.00 -2.54 0.54 7.35 -1.26 -4.93 117.46 112.98 1t3i n PHE 254 Ca 0.13 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.42 1t3i n PHE 254 Cb 0.51 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.29 1t3i n PHE 254 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1t3i s PHE 255 N -0.07 3.60 0.10 -5.13 2.99 -1.26 -5.04 117.98 113.16 1t3i s PHE 255 Ca 0.00 1.73 0.07 0.00 0.00 0.00 0.00 56.93 58.73 1t3i s PHE 255 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 43.02 39.78 1t3i s PHE 255 CO 0.00 -0.38 -0.11 0.20 -0.00 0.00 0.00 175.22 174.93 1t3i s GLY 256 N -1.06 1.77 0.00 4.36 0.00 -1.26 -4.70 107.32 106.43 1t3i s GLY 256 Ca 0.46 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.95 1t3i s GLY 256 CO 0.37 -1.20 0.00 0.61 0.00 0.00 0.00 173.10 172.88 1t3i n GLY 257 N 0.80 0.06 3.67 0.20 0.00 -1.26 -4.90 105.19 103.76 1t3i n GLY 257 Ca -0.14 -1.55 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 1t3i n GLY 257 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t3i n GLY 258 N 0.00 -0.09 4.36 -0.02 0.00 -1.26 -3.23 105.19 104.95 1t3i n GLY 258 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1t3i n GLY 258 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1t3i n GLU 259 N -2.49 0.00 0.00 1.61 -0.58 -1.26 -0.21 120.64 117.71 1t3i n GLU 259 Ca 0.14 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 57.00 1t3i n GLU 259 Cb 0.50 -1.55 0.19 0.00 -0.57 0.00 0.00 31.44 30.01 1t3i n GLU 259 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1t3i n MET 260 N -1.16 2.16 -3.18 3.49 0.00 -1.20 -4.76 117.12 112.46 1t3i n MET 260 Ca 0.00 -1.70 -0.18 0.00 0.00 0.00 0.00 57.70 55.82 1t3i n MET 260 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 33.22 31.76 1t3i n MET 260 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 175.97 176.93 1t3i s ILE 261 N -2.01 3.44 -0.15 3.17 -5.25 -1.25 -0.70 121.20 118.44 1t3i s ILE 261 Ca 0.30 -0.98 -0.08 0.00 -0.99 0.00 0.00 60.65 58.90 1t3i s ILE 261 Cb 0.20 -3.17 -0.07 0.00 2.95 0.00 0.00 42.46 42.37 1t3i s ILE 261 CO 0.32 -0.07 -0.20 0.00 -1.79 0.00 0.00 174.94 173.20 1t3i n ALA 262 N -1.78 2.00 -3.06 2.27 0.00 0.03 -4.01 120.51 115.95 1t3i n ALA 262 Ca 0.05 -0.61 -0.11 0.00 0.00 0.00 0.00 53.44 52.76 1t3i n ALA 262 Cb 0.59 0.30 -0.11 0.00 0.00 0.00 0.00 19.45 20.22 1t3i n ALA 262 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1t3i s GLU 263 N -2.29 0.37 -0.05 0.00 2.02 -1.23 -5.00 118.70 112.53 1t3i s GLU 263 Ca -0.22 -0.30 0.02 0.00 0.02 0.00 0.00 54.97 54.49 1t3i s GLU 263 Cb 0.08 0.15 0.01 0.00 0.10 0.00 0.00 34.13 34.48 1t3i s GLU 263 CO 0.27 -0.08 -0.08 0.08 0.02 0.00 0.00 175.26 175.47 1t3i s VAL 264 N -1.06 0.82 0.37 2.63 1.01 -1.26 -1.09 120.40 121.82 1t3i s VAL 264 Ca -0.11 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.60 1t3i s VAL 264 Cb -0.06 -0.77 -0.07 0.00 0.00 0.00 0.00 36.38 35.48 1t3i s VAL 264 CO 0.01 0.28 0.04 -0.36 0.00 0.00 0.00 175.10 175.07 1t3i s PHE 265 N 0.66 2.17 0.31 5.22 0.40 0.44 -5.01 117.98 122.16 1t3i s PHE 265 Ca -0.11 -0.86 0.04 0.00 -0.60 0.00 0.00 56.93 55.40 1t3i s PHE 265 Cb -0.14 -1.49 0.51 0.00 0.51 0.00 0.00 43.02 42.41 1t3i s PHE 265 CO 0.02 0.18 1.78 0.74 0.70 0.00 0.00 175.22 178.64 1t3i h PHE 266 N 1.92 0.47 0.00 0.36 -1.00 -2.05 -3.22 116.94 113.43 1t3i h PHE 266 Ca -0.42 -0.08 0.00 0.00 2.81 0.00 0.00 57.97 60.28 1t3i h PHE 266 Cb 1.25 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.69 1t3i h PHE 266 CO 0.73 0.60 -1.03 -0.40 -1.61 0.00 0.00 178.31 176.60 1t3i n ASP 267 N -4.17 0.63 -3.72 2.17 5.75 -1.26 -5.01 116.55 110.94 1t3i n ASP 267 Ca -0.00 -0.01 -0.04 0.00 -0.01 0.00 0.00 54.79 54.73 1t3i n ASP 267 Cb 0.36 0.70 -0.01 0.00 -1.03 0.00 0.00 41.12 41.14 1t3i n ASP 267 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1t3i s HIS 268 N -3.26 -0.16 0.06 2.11 -3.43 -1.22 -5.17 115.29 104.22 1t3i s HIS 268 Ca 0.02 -0.13 0.01 0.00 -0.80 0.00 0.00 55.06 54.17 1t3i s HIS 268 Cb 0.13 0.63 -0.03 0.00 -1.43 0.00 0.00 32.58 31.88 1t3i s HIS 268 CO 0.79 -0.79 -0.06 -0.59 -2.00 0.00 0.00 174.74 172.09 1t3i s PHE 269 N -3.27 0.64 0.07 0.38 -0.71 -1.26 -0.42 117.98 113.41 1t3i s PHE 269 Ca 0.11 -0.74 0.07 0.00 -1.04 0.00 0.00 56.93 55.33 1t3i s PHE 269 Cb -0.01 -0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 41.36 1t3i s PHE 269 CO 0.01 -0.18 -0.16 0.95 -1.34 0.00 0.00 175.22 174.50 1t3i s THR 270 N -2.57 2.93 0.28 -4.49 -4.23 -0.25 -5.00 115.64 102.31 1t3i s THR 270 Ca -0.01 -1.27 -0.13 0.00 -1.18 0.00 0.00 61.69 59.10 1t3i s THR 270 Cb -0.02 -2.29 -0.08 0.00 1.34 0.00 0.00 72.50 71.45 1t3i s THR 270 CO -0.03 0.24 0.67 0.28 -0.54 0.00 0.00 174.62 175.23 1t3i s THR 271 N -1.03 4.77 0.91 3.99 -1.32 -1.26 -0.79 115.64 120.90 1t3i s THR 271 Ca 0.17 0.79 -0.14 0.00 -1.21 0.00 0.00 61.69 61.30 1t3i s THR 271 Cb -0.11 -3.62 0.15 0.00 -1.51 0.00 0.00 72.50 67.41 1t3i s THR 271 CO 0.08 -0.13 1.21 -0.83 -2.21 0.00 0.00 174.62 172.74 1t3i s GLY 272 N -2.28 1.65 0.79 6.08 0.00 0.12 -4.19 107.32 109.49 1t3i s GLY 272 Ca 0.51 -0.83 -0.12 0.00 0.00 0.00 0.00 44.72 44.29 1t3i s GLY 272 CO 0.19 -0.20 1.12 -0.54 0.00 0.00 0.00 173.10 173.66 1t3i s GLU 273 N -5.61 2.17 0.51 2.90 0.41 -1.26 -4.13 118.70 113.68 1t3i s GLU 273 Ca 0.67 0.41 -0.22 0.00 -0.41 0.00 0.00 54.97 55.42 1t3i s GLU 273 Cb -0.09 -1.95 -0.06 0.00 -1.78 0.00 0.00 34.13 30.25 1t3i s GLU 273 CO 0.52 -1.51 1.23 -0.51 -0.49 0.00 0.00 175.26 174.49 1t3i s LEU 274 N -5.64 3.90 0.00 1.80 1.43 -1.26 -1.76 118.68 117.16 1t3i s LEU 274 Ca 0.61 2.45 0.24 0.00 -1.03 0.00 0.00 54.13 56.40 1t3i s LEU 274 Cb -0.13 -4.32 0.36 0.00 0.03 0.00 0.00 46.19 42.14 1t3i s LEU 274 CO 0.52 -1.22 1.31 -0.81 0.23 0.00 0.00 176.35 176.38 1t3i n PRO 275 N -0.84 0.40 -0.32 1.29 -0.04 -1.26 -4.84 135.00 129.40 1t3i n PRO 275 Ca 0.09 -0.27 0.32 0.00 -0.04 0.00 0.00 63.50 63.60 1t3i n PRO 275 Cb 0.47 -1.49 0.69 0.00 -0.04 0.00 0.00 33.50 33.13 1t3i n PRO 275 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1t3i h HIS 276 N 0.67 0.17 -1.05 0.54 3.86 -1.78 -0.98 115.15 116.58 1t3i h HIS 276 Ca 0.00 0.01 0.28 0.00 -1.16 0.00 0.00 60.37 59.50 1t3i h HIS 276 Cb 0.54 -0.05 -0.12 0.00 1.06 0.00 0.00 27.41 28.84 1t3i h HIS 276 CO 0.00 0.01 0.65 -0.22 0.86 0.00 0.00 177.93 179.22 1t3i h LYS 277 N 0.09 0.41 -0.68 2.45 3.64 -1.50 -0.96 116.57 120.03 1t3i h LYS 277 Ca 0.57 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 1t3i h LYS 277 Cb 2.07 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.80 1t3i h LYS 277 CO -0.09 0.27 0.00 1.19 -2.27 0.00 0.00 179.45 178.55 1t3i n PHE 278 N -4.79 0.93 -4.00 1.91 3.01 -0.37 -4.69 117.46 109.46 1t3i n PHE 278 Ca 0.28 -0.51 -0.31 0.00 1.01 0.00 0.00 57.45 57.93 1t3i n PHE 278 Cb 0.90 -0.01 -0.15 0.00 -0.01 0.00 0.00 39.48 40.21 1t3i n PHE 278 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1t3i s GLU 279 N -1.04 1.48 -0.10 -1.08 2.02 -0.36 -4.83 118.70 114.79 1t3i s GLU 279 Ca 0.46 -1.89 -0.12 0.00 0.02 0.00 0.00 54.97 53.43 1t3i s GLU 279 Cb 0.24 -3.17 -0.05 0.00 0.10 0.00 0.00 34.13 31.25 1t3i s GLU 279 CO 0.31 -0.95 0.29 0.00 0.02 0.00 0.00 175.26 174.92 1t3i s ALA 280 N 0.86 3.71 0.00 5.21 0.00 -1.26 -3.66 121.76 126.62 1t3i s ALA 280 Ca 0.11 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1t3i s ALA 280 Cb -0.19 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.66 1t3i s ALA 280 CO -0.08 0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.46 1t3i n GLY 281 N 2.48 -1.37 3.72 0.00 0.00 0.70 -4.83 105.19 105.90 1t3i n GLY 281 Ca -0.15 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 1t3i n GLY 281 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t3i s THR 282 N -1.15 2.19 0.95 2.61 2.01 -1.26 -4.84 115.64 116.14 1t3i s THR 282 Ca 0.00 0.13 -0.14 0.00 0.31 0.00 0.00 61.69 61.99 1t3i s THR 282 Cb 0.00 -3.09 0.16 0.00 0.01 0.00 0.00 72.50 69.59 1t3i s THR 282 CO 0.00 0.01 1.19 -2.16 -0.69 0.00 0.00 174.62 172.97 1t3i s PRO 283 N 1.16 0.83 -1.34 4.92 0.04 -1.26 -4.89 135.00 134.46 1t3i s PRO 283 Ca 0.73 0.02 -0.13 0.00 0.04 0.00 0.00 61.00 61.67 1t3i s PRO 283 Cb -0.48 -1.83 0.11 0.00 0.04 0.00 0.00 34.50 32.34 1t3i s PRO 283 CO 0.32 -2.35 1.95 0.00 0.04 0.00 0.00 177.00 176.96 1t3i n ALA 284 N -3.82 5.07 -0.02 8.56 0.00 -1.26 -4.81 120.51 124.23 1t3i n ALA 284 Ca 0.10 -4.09 -0.14 0.00 0.00 0.00 0.00 53.44 49.32 1t3i n ALA 284 Cb 0.60 -3.28 -0.08 0.00 0.00 0.00 0.00 19.45 16.69 1t3i n ALA 284 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1t3i h ILE 285 N 4.15 0.06 -0.77 0.00 2.04 -1.99 0.66 117.51 121.66 1t3i h ILE 285 Ca 0.46 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.32 1t3i h ILE 285 Cb 0.69 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 1t3i h ILE 285 CO 1.67 0.00 0.46 0.00 0.00 0.00 0.00 178.15 180.28 1t3i h ALA 286 N -0.08 0.98 -0.48 1.87 0.00 -1.98 -1.34 119.26 118.23 1t3i h ALA 286 Ca 0.06 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1t3i h ALA 286 Cb 0.66 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1t3i h ALA 286 CO -0.44 0.45 -0.02 0.93 0.00 0.00 0.00 179.25 180.17 1t3i h GLU 287 N 1.05 0.81 -0.23 0.00 3.07 -1.86 -1.07 114.58 116.34 1t3i h GLU 287 Ca 0.28 -0.23 -0.05 0.00 -0.50 0.00 0.00 59.36 58.86 1t3i h GLU 287 Cb -0.04 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 1t3i h GLU 287 CO -0.05 0.82 -0.04 0.00 -1.40 0.00 0.00 179.01 178.34 1t3i h ALA 288 N 1.23 0.32 -1.00 3.43 0.00 -0.48 -0.70 119.26 122.05 1t3i h ALA 288 Ca 0.14 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1t3i h ALA 288 Cb 0.48 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1t3i h ALA 288 CO 0.02 0.10 0.66 0.82 0.00 0.00 0.00 179.25 180.85 1t3i h ILE 289 N 0.18 1.24 -0.39 0.00 5.03 -1.06 -0.89 117.51 121.62 1t3i h ILE 289 Ca 0.06 -0.46 -0.08 0.00 -0.12 0.00 0.00 64.86 64.26 1t3i h ILE 289 Cb 0.49 -0.21 -0.02 0.00 -3.03 0.00 0.00 36.82 34.05 1t3i h ILE 289 CO 0.02 0.24 -0.10 0.00 -0.68 0.00 0.00 178.15 177.64 1t3i h ALA 290 N 1.39 1.10 -0.62 1.87 0.00 -1.00 -1.77 119.26 120.22 1t3i h ALA 290 Ca 0.37 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1t3i h ALA 290 Cb -0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1t3i h ALA 290 CO -0.09 0.56 0.24 1.25 0.00 0.00 0.00 179.25 181.21 1t3i h LEU 291 N 0.63 0.84 -1.03 0.00 5.85 0.08 0.84 115.31 122.51 1t3i h LEU 291 Ca 0.11 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1t3i h LEU 291 Cb 0.53 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1t3i h LEU 291 CO 0.03 0.77 0.27 1.23 -0.34 0.00 0.00 178.44 180.40 1t3i h GLY 292 N 1.01 1.03 1.39 3.75 0.00 -0.44 0.62 103.07 110.43 1t3i h GLY 292 Ca 0.21 -0.53 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 1t3i h GLY 292 CO -0.02 0.50 -0.24 0.00 0.00 0.00 0.00 176.54 176.78 1t3i h ALA 293 N 1.35 0.91 -0.09 3.60 0.00 -0.44 -0.81 119.26 123.78 1t3i h ALA 293 Ca 0.22 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1t3i h ALA 293 Cb 0.17 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1t3i h ALA 293 CO -0.02 0.62 0.02 0.00 0.00 0.00 0.00 179.25 179.87 1t3i h ALA 294 N 1.11 0.12 -0.62 0.00 0.00 -0.04 0.55 119.26 120.39 1t3i h ALA 294 Ca 0.08 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1t3i h ALA 294 Cb 0.74 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1t3i h ALA 294 CO 0.06 -0.25 0.37 0.28 0.00 0.00 0.00 179.25 179.70 1t3i h VAL 295 N -0.05 1.03 -0.80 0.00 2.07 -0.79 0.29 116.25 117.99 1t3i h VAL 295 Ca 0.03 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1t3i h VAL 295 Cb 0.24 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1t3i h VAL 295 CO -0.00 0.13 0.44 0.44 0.02 0.00 0.00 177.57 178.60 1t3i h ASP 296 N 0.70 1.01 -0.06 0.57 3.45 -0.91 -0.05 116.42 121.13 1t3i h ASP 296 Ca 0.26 -0.10 -0.00 0.00 0.43 0.00 0.00 57.03 57.62 1t3i h ASP 296 Cb 0.09 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 38.60 1t3i h ASP 296 CO -0.13 0.82 0.03 0.22 -1.57 0.00 0.00 179.24 178.60 1t3i h TYR 297 N 1.12 0.10 -0.74 4.55 3.20 0.00 -1.30 116.97 123.90 1t3i h TYR 297 Ca 0.28 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.09 1t3i h TYR 297 Cb 0.03 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 1t3i h TYR 297 CO 0.00 0.21 0.26 -0.07 -1.64 0.00 0.00 178.16 176.92 1t3i h LEU 298 N -0.04 1.06 -0.94 2.82 3.38 -0.76 -2.56 115.31 118.27 1t3i h LEU 298 Ca 0.02 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 1t3i h LEU 298 Cb 0.15 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1t3i h LEU 298 CO -0.00 0.97 -0.08 0.74 0.09 0.00 0.00 178.44 180.16 1t3i h THR 299 N 1.09 1.24 -0.82 0.22 2.02 -0.91 0.16 112.91 115.91 1t3i h THR 299 Ca 0.24 -1.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.32 1t3i h THR 299 Cb 0.27 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 1t3i h THR 299 CO -0.01 0.36 0.36 -0.78 0.37 0.00 0.00 175.52 175.82 1t3i h ASP 300 N 0.64 1.10 0.12 4.18 1.82 -0.95 -2.11 116.42 121.21 1t3i h ASP 300 Ca 0.12 -0.15 -0.19 0.00 -0.39 0.00 0.00 57.03 56.42 1t3i h ASP 300 Cb 0.51 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 40.24 1t3i h ASP 300 CO 0.03 0.95 -0.69 -0.07 -1.61 0.00 0.00 179.24 177.85 1t3i h LEU 301 N 1.18 0.60 -0.19 2.28 3.38 -1.05 -3.50 115.31 118.02 1t3i h LEU 301 Ca 0.28 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1t3i h LEU 301 Cb 0.17 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1t3i h LEU 301 CO -0.03 1.12 0.00 0.61 0.09 0.00 0.00 178.44 180.23 1t3i n GLY 302 N 0.51 0.33 0.25 0.83 0.00 0.52 -4.61 105.19 103.01 1t3i n GLY 302 Ca -0.05 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1t3i n GLY 302 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1t3i h MET 303 N 0.00 0.37 -0.62 1.61 0.00 -1.83 -0.93 114.93 113.53 1t3i h MET 303 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 59.70 59.52 1t3i h MET 303 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 31.60 31.53 1t3i h MET 303 CO 0.00 0.50 0.06 0.93 0.00 0.00 0.00 176.91 178.40 1t3i h GLU 304 N 0.35 1.03 -0.37 1.72 3.07 -1.92 0.55 114.58 119.01 1t3i h GLU 304 Ca 0.07 -0.28 -0.07 0.00 -0.50 0.00 0.00 59.36 58.58 1t3i h GLU 304 Cb 0.43 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 1t3i h GLU 304 CO 0.02 0.97 -0.03 -0.91 -1.40 0.00 0.00 179.01 177.66 1t3i h ASN 305 N 0.96 0.67 -0.27 1.42 -0.26 -1.68 0.10 115.58 116.54 1t3i h ASN 305 Ca 0.19 -0.33 -0.00 0.00 -0.56 0.00 0.00 56.30 55.59 1t3i h ASN 305 Cb 0.47 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.53 1t3i h ASN 305 CO 0.02 0.84 0.16 0.40 -1.06 0.00 0.00 177.43 177.79 1t3i h ILE 306 N 0.49 1.10 -0.51 2.81 2.04 -0.93 -1.57 117.51 120.94 1t3i h ILE 306 Ca 0.10 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1t3i h ILE 306 Cb 0.52 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1t3i h ILE 306 CO 0.03 0.10 0.31 -0.74 0.00 0.00 0.00 178.15 177.84 1t3i h HIS 307 N 0.34 0.67 -0.83 1.37 2.76 -0.71 -0.98 115.15 117.76 1t3i h HIS 307 Ca 0.10 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 1t3i h HIS 307 Cb 0.01 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 28.71 1t3i h HIS 307 CO -0.04 0.47 0.48 -0.91 -1.30 0.00 0.00 177.93 176.63 1t3i h ASN 308 N 0.68 1.01 -0.50 3.26 2.35 -0.55 -0.65 115.58 121.17 1t3i h ASN 308 Ca 0.18 -0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 55.77 1t3i h ASN 308 Cb -0.01 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 1t3i h ASN 308 CO -0.03 0.79 -0.04 0.22 -1.65 0.00 0.00 177.43 176.72 1t3i h TYR 309 N 1.14 1.00 -0.51 1.19 3.20 -0.97 -2.80 116.97 119.23 1t3i h TYR 309 Ca 0.30 -0.19 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 1t3i h TYR 309 Cb -0.02 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 1t3i h TYR 309 CO -0.00 0.94 0.10 0.93 -1.64 0.00 0.00 178.16 178.49 1t3i h GLU 310 N 0.77 0.78 -0.78 1.82 5.08 -0.79 -1.86 114.58 119.61 1t3i h GLU 310 Ca 0.14 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1t3i h GLU 310 Cb 0.57 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1t3i h GLU 310 CO 0.03 0.73 0.51 0.28 -1.00 0.00 0.00 179.01 179.56 1t3i h VAL 311 N 0.75 1.17 -0.50 3.13 2.07 -0.96 0.32 116.25 122.24 1t3i h VAL 311 Ca 0.16 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1t3i h VAL 311 Cb 0.32 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1t3i h VAL 311 CO 0.00 0.19 0.26 -0.08 0.02 0.00 0.00 177.57 177.96 1t3i h GLU 312 N 1.03 0.70 -0.37 1.57 4.81 -1.14 -1.80 114.58 119.39 1t3i h GLU 312 Ca 0.30 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.33 1t3i h GLU 312 Cb -0.08 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 1t3i h GLU 312 CO -0.08 0.57 -0.19 -0.07 -0.73 0.00 0.00 179.01 178.51 1t3i h LEU 313 N 0.66 0.69 -0.49 1.64 3.38 -0.70 -2.61 115.31 117.88 1t3i h LEU 313 Ca 0.17 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1t3i h LEU 313 Cb 0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1t3i h LEU 313 CO -0.03 0.88 0.23 0.74 0.09 0.00 0.00 178.44 180.35 1t3i h THR 314 N 0.61 1.20 -0.60 0.22 2.02 -0.02 0.80 112.91 117.13 1t3i h THR 314 Ca 0.09 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 1t3i h THR 314 Cb 0.66 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 1t3i h THR 314 CO 0.05 0.22 0.21 0.45 0.37 0.00 0.00 175.52 176.82 1t3i h HIS 315 N 0.65 0.94 -0.33 3.16 3.86 -1.22 -0.94 115.15 121.27 1t3i h HIS 315 Ca 0.17 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 1t3i h HIS 315 Cb 0.14 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 1t3i h HIS 315 CO -0.00 0.77 0.16 -0.92 0.86 0.00 0.00 177.93 178.80 1t3i h TYR 316 N 0.85 0.47 0.39 2.45 3.20 -1.15 0.04 116.97 123.21 1t3i h TYR 316 Ca 0.20 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1t3i h TYR 316 Cb 0.25 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.38 1t3i h TYR 316 CO 0.02 0.40 -0.19 1.25 -1.64 0.00 0.00 178.16 178.00 1t3i h LEU 317 N 0.40 -0.44 -1.22 2.82 5.85 -0.61 -1.33 115.31 120.78 1t3i h LEU 317 Ca 0.11 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1t3i h LEU 317 Cb 0.10 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1t3i h LEU 317 CO -0.02 -0.32 0.04 -0.50 -0.34 0.00 0.00 178.44 177.30 1t3i h TRP 318 N -0.53 0.59 -0.51 1.25 4.06 -1.12 -0.45 115.95 119.24 1t3i h TRP 318 Ca -0.05 -0.05 -0.06 0.00 2.06 0.00 0.00 58.89 60.79 1t3i h TRP 318 Cb 0.40 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.37 1t3i h TRP 318 CO -0.05 0.55 0.09 1.96 -3.56 0.00 0.00 178.44 177.44 1t3i h GLN 319 N 0.55 0.83 -0.30 0.49 4.20 -0.84 0.28 115.11 120.33 1t3i h GLN 319 Ca 0.12 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 1t3i h GLN 319 Cb 0.30 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1t3i h GLN 319 CO 0.01 0.82 -0.03 0.78 -0.67 0.00 0.00 178.83 179.73 1t3i h GLY 320 N 0.71 0.60 1.50 3.46 0.00 -0.73 -3.06 103.07 105.56 1t3i h GLY 320 Ca 0.16 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.92 1t3i h GLY 320 CO 0.01 0.43 -0.22 1.41 0.00 0.00 0.00 176.54 178.17 1t3i h LEU 321 N 0.34 0.59 -2.33 3.11 3.38 -1.02 -2.65 115.31 116.72 1t3i h LEU 321 Ca 0.08 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1t3i h LEU 321 Cb 0.49 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1t3i h LEU 321 CO 0.02 0.80 0.00 1.23 0.09 0.00 0.00 178.44 180.59 1t3i h GLY 322 N 1.00 0.00 0.19 0.83 0.00 -0.84 -1.80 103.07 102.45 1t3i h GLY 322 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1t3i h GLY 322 CO 0.05 0.00 -0.12 -1.06 0.00 0.00 0.00 176.54 175.40 1t3i n GLN 323 N -2.95 1.10 -3.26 4.80 6.02 -1.00 -4.70 117.38 117.40 1t3i n GLN 323 Ca -0.02 -0.57 -0.44 0.00 -0.01 0.00 0.00 57.00 55.97 1t3i n GLN 323 Cb 0.13 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 29.83 1t3i n GLN 323 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1t3i s ILE 324 N -2.30 5.02 0.50 5.09 1.01 -0.68 -4.96 121.20 124.88 1t3i s ILE 324 Ca 0.31 -0.57 0.25 0.00 0.00 0.00 0.00 60.65 60.65 1t3i s ILE 324 Cb 0.20 -4.18 0.43 0.00 0.01 0.00 0.00 42.46 38.91 1t3i s ILE 324 CO 0.44 -0.64 1.91 1.55 0.00 0.00 0.00 174.94 178.20 1t3i h PRO 325 N 8.86 0.13 0.00 2.79 0.13 -1.86 -1.75 132.00 140.30 1t3i h PRO 325 Ca -0.27 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1t3i h PRO 325 Cb 1.10 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1t3i h PRO 325 CO 0.89 0.09 0.00 1.04 -0.23 0.00 0.00 178.00 179.79 1t3i n GLN 326 N -4.37 0.10 -3.28 0.86 3.00 -1.26 -4.89 117.38 107.54 1t3i n GLN 326 Ca 0.16 0.17 -0.37 0.00 -0.01 0.00 0.00 57.00 56.95 1t3i n GLN 326 Cb 0.77 -1.64 -0.06 0.00 0.00 0.00 0.00 30.24 29.31 1t3i n GLN 326 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1t3i s LEU 327 N -3.65 4.42 -0.23 1.08 1.43 -0.66 -1.20 118.68 119.87 1t3i s LEU 327 Ca 0.10 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 1t3i s LEU 327 Cb 0.14 -3.15 0.03 0.00 0.03 0.00 0.00 46.19 43.24 1t3i s LEU 327 CO 0.48 0.17 -0.12 -0.60 0.23 0.00 0.00 176.35 176.52 1t3i s ARG 328 N -1.58 2.73 -0.10 1.70 3.00 -0.51 -4.99 118.95 119.20 1t3i s ARG 328 Ca 0.35 -1.03 -0.13 0.00 -1.00 0.00 0.00 55.73 53.92 1t3i s ARG 328 Cb -0.17 -2.83 -0.05 0.00 0.00 0.00 0.00 34.95 31.90 1t3i s ARG 328 CO 0.19 -0.38 0.30 -0.51 0.00 0.00 0.00 175.30 174.90 1t3i s LEU 329 N 1.26 4.36 0.00 -0.88 1.43 -1.26 -2.11 118.68 121.47 1t3i s LEU 329 Ca -0.01 0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 53.75 1t3i s LEU 329 Cb -0.16 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 1t3i s LEU 329 CO -0.07 0.24 0.11 -0.31 0.23 0.00 0.00 176.35 176.55 1t3i s TYR 330 N -0.39 3.36 0.00 0.29 2.02 -0.64 -5.01 117.35 116.99 1t3i s TYR 330 Ca 0.19 0.24 0.00 0.00 -0.37 0.00 0.00 57.07 57.13 1t3i s TYR 330 Cb -0.14 -1.76 0.00 0.00 -0.40 0.00 0.00 41.96 39.66 1t3i s TYR 330 CO 0.07 0.58 0.00 0.41 -1.57 0.00 0.00 175.55 175.04 1t3i n GLY 331 N 1.04 0.11 3.76 0.71 0.00 -1.26 -4.53 105.19 105.04 1t3i n GLY 331 Ca -0.12 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.61 1t3i n GLY 331 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1t3i s PRO 332 N -1.55 4.51 0.35 1.61 0.04 -1.01 -4.78 135.00 134.16 1t3i s PRO 332 Ca 0.00 2.00 -0.27 0.00 0.04 0.00 0.00 61.00 62.76 1t3i s PRO 332 Cb 0.00 -3.14 -0.09 0.00 0.04 0.00 0.00 34.50 31.31 1t3i s PRO 332 CO 0.00 0.02 1.19 1.21 0.04 0.00 0.00 177.00 179.46 1t3i s ASN 333 N -0.68 6.81 0.52 6.66 3.84 -1.26 -4.91 114.94 125.91 1t3i s ASN 333 Ca 0.47 2.42 0.25 0.00 0.21 0.00 0.00 52.86 56.20 1t3i s ASN 333 Cb -0.36 -2.63 1.36 0.00 -0.55 0.00 0.00 41.25 39.07 1t3i s ASN 333 CO 0.46 -0.48 1.97 -0.65 -2.79 0.00 0.00 177.10 175.61 1t3i h PRO 334 N 3.18 0.06 -0.48 0.43 0.11 -1.93 -1.72 132.00 131.65 1t3i h PRO 334 Ca -0.48 -0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.76 1t3i h PRO 334 Cb 1.23 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1t3i h PRO 334 CO 0.65 0.04 0.37 0.87 -0.21 0.00 0.00 178.00 179.71 1t3i h LYS 335 N 0.06 0.00 -0.00 1.05 1.57 -1.99 -0.38 116.57 116.88 1t3i h LYS 335 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1t3i h LYS 335 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1t3i h LYS 335 CO -0.02 0.00 -0.11 0.72 -0.57 0.00 0.00 179.45 179.47 1t3i n HIS 336 N -4.26 0.00 0.00 -1.35 8.25 -0.65 -5.02 115.22 112.19 1t3i n HIS 336 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1t3i n HIS 336 Cb 0.58 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1t3i n HIS 336 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1t3i n GLY 337 N 1.35 0.92 3.64 -1.41 0.00 -0.15 -5.10 105.19 104.44 1t3i n GLY 337 Ca 0.12 -1.97 -0.45 0.00 0.00 0.00 0.00 46.02 43.72 1t3i n GLY 337 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1t3i n ASP 338 N 2.59 2.11 -3.90 1.61 10.43 -1.26 -4.57 116.55 123.56 1t3i n ASP 338 Ca 0.00 1.16 -0.08 0.00 2.57 0.00 0.00 54.79 58.44 1t3i n ASP 338 Cb 0.00 -1.36 -0.04 0.00 1.84 0.00 0.00 41.12 41.56 1t3i n ASP 338 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1t3i s ARG 339 N -0.99 1.62 0.59 -1.24 1.70 -1.26 -4.41 118.95 114.96 1t3i s ARG 339 Ca 0.64 -1.09 -0.18 0.00 -0.47 0.00 0.00 55.73 54.63 1t3i s ARG 339 Cb -0.69 0.53 -0.03 0.00 -0.57 0.00 0.00 34.95 34.19 1t3i s ARG 339 CO 0.55 -0.70 1.15 0.00 -1.08 0.00 0.00 175.30 175.22 1t3i s ALA 340 N -3.96 2.57 -1.49 7.88 0.00 0.67 -4.89 121.76 122.54 1t3i s ALA 340 Ca 0.16 0.81 -0.11 0.00 0.00 0.00 0.00 51.96 52.81 1t3i s ALA 340 Cb -0.03 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.73 1t3i s ALA 340 CO 0.06 -1.05 2.47 0.00 0.00 0.00 0.00 175.76 177.25 1t3i n ALA 341 N -1.71 6.37 -3.43 0.00 0.00 -1.26 -4.81 120.51 115.67 1t3i n ALA 341 Ca 0.12 -3.81 -0.09 0.00 0.00 0.00 0.00 53.44 49.66 1t3i n ALA 341 Cb 0.51 -3.37 -0.04 0.00 0.00 0.00 0.00 19.45 16.55 1t3i n ALA 341 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1t3i s LEU 342 N 0.89 0.05 -0.14 0.00 0.05 -1.26 -0.73 118.68 117.55 1t3i s LEU 342 Ca 0.55 -0.66 -0.05 0.00 0.05 0.00 0.00 54.13 54.02 1t3i s LEU 342 Cb 0.15 2.20 0.07 0.00 -2.05 0.00 0.00 46.19 46.56 1t3i s LEU 342 CO -0.07 -1.17 0.28 0.00 -0.55 0.00 0.00 176.35 174.84 1t3i s ALA 343 N -3.93 -0.62 -0.10 1.48 0.00 -0.06 -4.95 121.76 113.58 1t3i s ALA 343 Ca 0.14 1.00 -0.04 0.00 0.00 0.00 0.00 51.96 53.06 1t3i s ALA 343 Cb -0.02 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1t3i s ALA 343 CO 0.04 -0.62 0.08 -1.12 0.00 0.00 0.00 175.76 174.14 1t3i s SER 344 N 2.34 5.87 0.33 0.00 0.01 -1.26 -1.60 113.70 119.39 1t3i s SER 344 Ca 0.00 0.31 -0.18 0.00 1.31 0.00 0.00 55.95 57.39 1t3i s SER 344 Cb -0.12 -1.79 0.04 0.00 0.21 0.00 0.00 66.02 64.36 1t3i s SER 344 CO -0.09 0.39 0.79 0.72 0.41 0.00 0.00 173.24 175.45 1t3i s PHE 345 N -0.99 -0.01 -0.02 2.43 -0.71 0.11 -1.62 117.98 117.18 1t3i s PHE 345 Ca 0.15 -0.56 -0.05 0.00 -1.04 0.00 0.00 56.93 55.43 1t3i s PHE 345 Cb -0.12 0.78 0.00 0.00 -1.21 0.00 0.00 43.02 42.47 1t3i s PHE 345 CO 0.04 -1.38 0.11 -0.80 -1.34 0.00 0.00 175.22 171.85 1t3i s ASN 346 N -3.03 -0.03 -0.23 1.98 0.01 -0.90 -0.25 114.94 112.49 1t3i s ASN 346 Ca 0.14 -0.02 -0.11 0.00 -0.71 0.00 0.00 52.86 52.17 1t3i s ASN 346 Cb -0.05 0.22 -0.05 0.00 0.41 0.00 0.00 41.25 41.78 1t3i s ASN 346 CO 0.09 -0.21 0.16 -0.69 -1.51 0.00 0.00 177.10 174.95 1t3i s VAL 347 N -0.70 5.36 0.11 1.60 1.01 -1.26 -1.42 120.40 125.10 1t3i s VAL 347 Ca -0.08 0.20 -0.36 0.00 0.00 0.00 0.00 61.98 61.74 1t3i s VAL 347 Cb -0.05 -3.50 -0.16 0.00 0.00 0.00 0.00 36.38 32.67 1t3i s VAL 347 CO 0.01 0.35 1.43 0.00 0.00 0.00 0.00 175.10 176.88 1t3i n ALA 348 N 4.20 -0.17 -0.90 5.51 0.00 -0.34 -1.16 120.51 127.65 1t3i n ALA 348 Ca -0.15 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1t3i n ALA 348 Cb 0.52 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1t3i n ALA 348 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t3i n GLY 349 N 2.84 0.38 3.01 0.00 0.00 -1.26 -4.99 105.19 105.18 1t3i n GLY 349 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1t3i n GLY 349 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1t3i s LEU 350 N 0.00 1.61 0.31 0.99 2.96 -0.30 -5.12 118.68 119.12 1t3i s LEU 350 Ca 0.00 -0.30 -0.28 0.00 -0.22 0.00 0.00 54.13 53.33 1t3i s LEU 350 Cb 0.00 -0.83 -0.09 0.00 0.50 0.00 0.00 46.19 45.76 1t3i s LEU 350 CO 0.00 0.02 1.11 -2.28 -1.32 0.00 0.00 176.35 173.88 1t3i s HIS 351 N 0.76 3.45 0.41 5.38 5.65 -1.26 -4.21 115.29 125.47 1t3i s HIS 351 Ca -0.13 1.66 0.12 0.00 0.25 0.00 0.00 55.06 56.96 1t3i s HIS 351 Cb -0.16 -3.30 0.96 0.00 -1.18 0.00 0.00 32.58 28.91 1t3i s HIS 351 CO 0.03 -0.72 1.97 0.00 -0.65 0.00 0.00 174.74 175.36 1t3i h ALA 352 N 3.47 1.94 -0.96 1.58 0.00 -1.90 -1.82 119.26 121.57 1t3i h ALA 352 Ca -0.47 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.47 1t3i h ALA 352 Cb 1.22 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1t3i h ALA 352 CO 0.66 -0.08 0.62 0.66 0.00 0.00 0.00 179.25 181.11 1t3i h SER 353 N 0.50 1.03 -0.24 0.00 4.64 -1.91 -0.53 113.55 117.03 1t3i h SER 353 Ca 0.30 -0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.51 1t3i h SER 353 Cb 0.50 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1t3i h SER 353 CO -0.09 0.69 -0.17 0.44 -0.87 0.00 0.00 176.83 176.83 1t3i h ASP 354 N 1.19 0.68 0.09 4.97 3.32 -1.72 -1.28 116.42 123.67 1t3i h ASP 354 Ca 0.39 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1t3i h ASP 354 Cb 0.04 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1t3i h ASP 354 CO -0.13 0.86 -0.04 0.58 -1.72 0.00 0.00 179.24 178.78 1t3i h VAL 355 N 0.61 1.03 -0.71 -1.35 2.07 -1.16 -1.64 116.25 115.10 1t3i h VAL 355 Ca 0.10 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.17 1t3i h VAL 355 Cb 0.64 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1t3i h VAL 355 CO 0.04 0.11 0.47 0.00 0.02 0.00 0.00 177.57 178.21 1t3i h ALA 356 N 0.55 0.90 -0.51 1.67 0.00 -1.02 -1.89 119.26 118.97 1t3i h ALA 356 Ca -0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1t3i h ALA 356 Cb 0.28 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1t3i h ALA 356 CO 0.02 0.31 0.13 1.15 0.00 0.00 0.00 179.25 180.85 1t3i h THR 357 N 0.95 1.24 -0.24 0.00 2.02 -1.19 -2.70 112.91 113.00 1t3i h THR 357 Ca 0.26 -0.85 -0.07 0.00 0.77 0.00 0.00 66.41 66.53 1t3i h THR 357 Cb -0.09 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1t3i h THR 357 CO -0.06 0.31 -0.11 -0.03 0.37 0.00 0.00 175.52 175.99 1t3i h MET 358 N 0.70 0.49 0.00 6.66 -1.53 -1.07 -2.92 114.93 117.26 1t3i h MET 358 Ca 0.16 -0.21 -0.02 0.00 -3.44 0.00 0.00 59.70 56.18 1t3i h MET 358 Cb 0.33 -0.01 -0.00 0.00 -0.55 0.00 0.00 31.60 31.36 1t3i h MET 358 CO 0.00 0.76 -0.10 -0.39 0.14 0.00 0.00 176.91 177.32 1t3i h VAL 359 N 0.21 0.45 0.00 -5.77 -1.51 -1.36 -0.34 116.25 107.92 1t3i h VAL 359 Ca 0.05 -0.51 -0.02 0.00 -1.23 0.00 0.00 66.70 64.99 1t3i h VAL 359 Cb 0.61 1.35 -0.00 0.00 -2.13 0.00 0.00 31.29 31.12 1t3i h VAL 359 CO 0.03 0.10 -0.11 -0.78 -1.23 0.00 0.00 177.57 175.58 1t3i h ASP 360 N 0.00 0.00 0.89 4.19 3.58 -1.28 0.04 116.42 123.84 1t3i h ASP 360 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1t3i h ASP 360 Cb 0.35 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.40 1t3i h ASP 360 CO 0.01 0.11 -0.01 1.56 -2.88 0.00 0.00 179.24 178.03 1t3i h GLN 361 N 0.00 0.00 -0.71 0.28 1.08 -1.03 -0.63 115.11 114.10 1t3i h GLN 361 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1t3i h GLN 361 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1t3i h GLN 361 CO 0.01 0.01 0.00 -0.25 -0.95 0.00 0.00 178.83 177.66 1t3i n ASP 362 N -3.12 4.25 0.00 1.46 10.43 -0.10 -4.82 116.55 124.65 1t3i n ASP 362 Ca 0.00 -2.15 0.00 0.00 2.57 0.00 0.00 54.79 55.21 1t3i n ASP 362 Cb 0.28 -0.52 0.00 0.00 1.84 0.00 0.00 41.12 42.72 1t3i n ASP 362 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1t3i n GLY 363 N 1.48 0.79 3.69 0.44 0.00 -0.24 -4.75 105.19 106.59 1t3i n GLY 363 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 1t3i n GLY 363 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1t3i s ILE 364 N -3.09 4.95 -0.41 -0.61 -1.09 -0.58 -1.90 121.20 118.47 1t3i s ILE 364 Ca 0.00 1.56 -0.11 0.00 -2.23 0.00 0.00 60.65 59.87 1t3i s ILE 364 Cb 0.00 -4.10 0.06 0.00 -1.58 0.00 0.00 42.46 36.84 1t3i s ILE 364 CO 0.00 0.13 0.26 0.00 -1.23 0.00 0.00 174.94 174.11 1t3i s ALA 365 N 1.51 3.33 0.45 9.38 0.00 0.50 -2.90 121.76 134.04 1t3i s ALA 365 Ca 0.38 -2.01 0.03 0.00 0.00 0.00 0.00 51.96 50.37 1t3i s ALA 365 Cb -0.17 -2.70 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 1t3i s ALA 365 CO 0.16 -1.58 0.11 0.44 0.00 0.00 0.00 175.76 174.88 1t3i n ILE 366 N 4.99 0.00 -4.44 0.00 -5.35 -1.26 -0.73 119.36 112.57 1t3i n ILE 366 Ca -0.11 -2.46 -0.22 0.00 -0.27 0.00 0.00 62.75 59.69 1t3i n ILE 366 Cb 0.44 0.77 -0.14 0.00 -1.74 0.00 0.00 39.64 38.97 1t3i n ILE 366 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1t3i s ARG 367 N -3.69 1.06 0.43 6.28 3.52 -0.77 -4.93 118.95 120.84 1t3i s ARG 367 Ca 0.15 -0.80 0.06 0.00 -0.13 0.00 0.00 55.73 55.01 1t3i s ARG 367 Cb 0.01 -1.10 -0.07 0.00 -1.56 0.00 0.00 34.95 32.23 1t3i s ARG 367 CO 0.11 0.28 0.02 -1.54 -0.81 0.00 0.00 175.30 173.35 1t3i s SER 368 N -1.12 3.95 0.00 -2.12 1.04 -1.26 0.00 113.70 114.19 1t3i s SER 368 Ca 0.03 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.07 1t3i s SER 368 Cb -0.08 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.78 1t3i s SER 368 CO 0.01 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1t3i n GLY 369 N -1.03 -0.57 0.83 7.32 0.00 -1.10 -4.70 105.19 105.94 1t3i n GLY 369 Ca -0.07 -2.19 0.12 0.00 0.00 0.00 0.00 46.02 43.89 1t3i n GLY 369 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1t3i n HIS 370 N 0.00 0.08 -3.60 1.61 -0.00 -1.26 -0.59 115.22 111.46 1t3i n HIS 370 Ca 0.00 -0.04 -0.27 0.00 -0.00 0.00 0.00 57.72 57.41 1t3i n HIS 370 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1t3i n HIS 370 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1t3i n HIS 371 N 0.99 -1.90 -2.25 -1.40 -0.00 -1.26 -0.56 115.22 108.83 1t3i n HIS 371 Ca 0.16 0.62 -0.19 0.00 -0.00 0.00 0.00 57.72 58.31 1t3i n HIS 371 Cb 0.52 -3.26 -0.02 0.00 -0.00 0.00 0.00 29.99 27.23 1t3i n HIS 371 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1t3i n THR 373 N -3.80 1.09 -0.23 0.00 -2.24 0.28 -0.21 114.28 109.17 1t3i n THR 373 Ca -0.22 -4.53 -0.06 0.00 -2.27 0.00 0.00 64.05 56.97 1t3i n THR 373 Cb 0.67 -0.43 0.04 0.00 -2.10 0.00 0.00 70.33 68.51 1t3i n THR 373 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1t3i h GLN 374 N 2.95 0.91 -0.88 -0.78 4.15 -1.88 -2.29 115.11 117.30 1t3i h GLN 374 Ca 0.09 -0.10 0.05 0.00 0.77 0.00 0.00 58.65 59.45 1t3i h GLN 374 Cb 0.90 -0.18 -0.06 0.00 0.21 0.00 0.00 27.48 28.35 1t3i h GLN 374 CO 0.61 0.67 0.56 -1.35 -1.93 0.00 0.00 178.83 177.39 1t3i h PRO 375 N 0.89 1.02 0.07 -2.39 0.11 -1.91 0.16 132.00 129.96 1t3i h PRO 375 Ca 0.23 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1t3i h PRO 375 Cb 0.02 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 30.90 1t3i h PRO 375 CO -0.04 0.67 -0.04 1.25 -0.21 0.00 0.00 178.00 179.64 1t3i h LEU 376 N 1.05 -0.08 -0.27 2.35 5.85 -1.56 0.13 115.31 122.77 1t3i h LEU 376 Ca 0.36 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1t3i h LEU 376 Cb 0.08 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1t3i h LEU 376 CO -0.14 0.02 0.17 0.45 -0.34 0.00 0.00 178.44 178.60 1t3i h HIS 377 N -0.18 0.35 -0.87 1.25 3.86 -1.01 -2.64 115.15 115.90 1t3i h HIS 377 Ca -0.01 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1t3i h HIS 377 Cb 0.15 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.47 1t3i h HIS 377 CO -0.05 0.24 0.47 -0.09 0.86 0.00 0.00 177.93 179.36 1t3i h ARG 378 N 0.36 1.22 -0.83 2.45 2.43 -0.57 0.06 114.38 119.49 1t3i h ARG 378 Ca 0.10 -0.15 0.13 0.00 -0.81 0.00 0.00 59.98 59.25 1t3i h ARG 378 Cb -0.02 -0.24 -0.06 0.00 -0.42 0.00 0.00 29.97 29.24 1t3i h ARG 378 CO -0.02 0.90 0.54 1.25 -1.51 0.00 0.00 179.97 181.13 1t3i h LEU 379 N 1.22 0.61 -3.45 3.80 5.85 -0.39 -1.70 115.31 121.24 1t3i h LEU 379 Ca 0.31 0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.90 1t3i h LEU 379 Cb 0.04 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 40.88 1t3i h LEU 379 CO -0.05 0.33 0.08 0.49 -0.34 0.00 0.00 178.44 178.96 1t3i n PHE 380 N -4.53 1.48 -4.07 1.25 3.01 -0.94 -4.96 117.46 108.69 1t3i n PHE 380 Ca 0.15 -1.28 -0.30 0.00 1.01 0.00 0.00 57.45 57.03 1t3i n PHE 380 Cb 0.42 -0.51 -0.02 0.00 -0.01 0.00 0.00 39.48 39.37 1t3i n PHE 380 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1t3i n ASP 381 N -0.71 -1.86 -4.54 4.37 4.64 -0.64 -4.95 116.55 112.86 1t3i n ASP 381 Ca 0.33 -1.00 -0.37 0.00 -1.38 0.00 0.00 54.79 52.37 1t3i n ASP 381 Cb 1.11 -2.95 -0.11 0.00 -1.04 0.00 0.00 41.12 38.13 1t3i n ASP 381 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1t3i s ALA 382 N -3.64 3.36 -1.48 -1.67 0.00 -0.05 -4.99 121.76 113.29 1t3i s ALA 382 Ca 0.36 -1.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.18 1t3i s ALA 382 Cb -0.19 -2.19 0.02 0.00 0.00 0.00 0.00 23.12 20.76 1t3i s ALA 382 CO 0.90 -0.35 2.38 0.45 0.00 0.00 0.00 175.76 179.14 1t3i n SER 383 N 4.63 5.30 -0.36 0.00 2.88 -1.26 -4.42 113.62 120.39 1t3i n SER 383 Ca -0.15 -2.81 0.03 0.00 -1.33 0.00 0.00 58.87 54.60 1t3i n SER 383 Cb 0.52 -1.61 -0.01 0.00 -0.75 0.00 0.00 64.21 62.36 1t3i n SER 383 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t3i n GLY 384 N 3.76 -1.95 3.46 0.46 0.00 -1.26 -4.60 105.19 105.06 1t3i n GLY 384 Ca 0.58 -1.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 1t3i n GLY 384 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1t3i s SER 385 N -3.78 -0.50 0.02 1.61 1.04 0.24 -4.87 113.70 107.45 1t3i s SER 385 Ca 0.00 -0.11 -0.14 0.00 0.48 0.00 0.00 55.95 56.18 1t3i s SER 385 Cb 0.00 0.60 -0.06 0.00 0.10 0.00 0.00 66.02 66.67 1t3i s SER 385 CO 0.00 -1.01 0.42 0.00 0.98 0.00 0.00 173.24 173.64 1t3i s ALA 386 N -3.78 3.69 -0.04 5.32 0.00 0.65 -2.71 121.76 124.90 1t3i s ALA 386 Ca 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.76 1t3i s ALA 386 Cb -0.01 -2.40 0.03 0.00 0.00 0.00 0.00 23.12 20.74 1t3i s ALA 386 CO -0.10 0.48 0.03 0.50 0.00 0.00 0.00 175.76 176.67 1t3i s ARG 387 N -1.21 0.15 -0.22 0.00 3.52 0.10 0.04 118.95 121.32 1t3i s ARG 387 Ca 0.26 0.21 -0.05 0.00 -0.13 0.00 0.00 55.73 56.02 1t3i s ARG 387 Cb -0.17 -0.53 -0.02 0.00 -1.56 0.00 0.00 34.95 32.68 1t3i s ARG 387 CO 0.15 -0.24 -0.00 0.00 -0.81 0.00 0.00 175.30 174.39 1t3i s ALA 388 N 1.60 2.95 -0.06 6.12 0.00 -0.63 -1.85 121.76 129.90 1t3i s ALA 388 Ca -0.02 -1.12 0.04 0.00 0.00 0.00 0.00 51.96 50.86 1t3i s ALA 388 Cb -0.13 -1.82 -0.00 0.00 0.00 0.00 0.00 23.12 21.18 1t3i s ALA 388 CO -0.03 -0.38 -0.18 -1.54 0.00 0.00 0.00 175.76 173.62 1t3i s SER 389 N 1.41 2.36 0.34 0.00 1.04 0.81 -0.88 113.70 118.78 1t3i s SER 389 Ca 0.05 -0.40 0.07 0.00 0.48 0.00 0.00 55.95 56.15 1t3i s SER 389 Cb -0.15 -0.78 -0.02 0.00 0.10 0.00 0.00 66.02 65.18 1t3i s SER 389 CO -0.00 0.15 0.37 -0.76 0.98 0.00 0.00 173.24 173.98 1t3i s LEU 390 N 0.14 3.75 0.26 2.42 1.43 0.09 -2.79 118.68 123.98 1t3i s LEU 390 Ca -0.07 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1t3i s LEU 390 Cb -0.13 -2.44 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 1t3i s LEU 390 CO 0.04 -0.40 0.28 -0.47 0.23 0.00 0.00 176.35 176.03 1t3i s TYR 391 N -2.25 1.12 -1.03 0.29 5.04 -1.26 -4.79 117.35 114.46 1t3i s TYR 391 Ca 0.43 -1.31 0.03 0.00 -2.44 0.00 0.00 57.07 53.78 1t3i s TYR 391 Cb -0.07 -0.37 0.14 0.00 0.35 0.00 0.00 41.96 42.00 1t3i s TYR 391 CO 0.28 -0.84 1.09 1.97 -1.34 0.00 0.00 175.55 176.72 1t3i n PHE 392 N -0.42 0.00 1.17 4.97 1.16 -1.26 -1.72 117.46 121.37 1t3i n PHE 392 Ca 0.02 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.73 1t3i n PHE 392 Cb 0.64 -0.49 0.27 0.00 -1.61 0.00 0.00 39.48 38.29 1t3i n PHE 392 CO 0.00 0.00 0.00 2.48 -1.87 0.00 0.00 176.76 177.37 1t3i n TYR 393 N -1.49 0.02 -2.49 2.97 0.18 -1.26 -3.32 117.16 111.78 1t3i n TYR 393 Ca 0.01 -0.01 -0.29 0.00 1.88 0.00 0.00 57.90 59.49 1t3i n TYR 393 Cb 0.04 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 38.99 1t3i n TYR 393 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 1t3i s ASN 394 N -1.98 6.29 0.22 9.48 0.02 -0.70 -4.86 114.94 123.42 1t3i s ASN 394 Ca 0.32 1.07 0.04 0.00 -1.02 0.00 0.00 52.86 53.27 1t3i s ASN 394 Cb 0.20 -2.31 -0.05 0.00 0.02 0.00 0.00 41.25 39.11 1t3i s ASN 394 CO 0.31 -0.62 -0.02 0.42 0.02 0.00 0.00 177.10 177.21 1t3i s THR 395 N -2.79 1.08 0.39 1.60 -4.23 -1.26 -4.71 115.64 105.71 1t3i s THR 395 Ca 0.50 -2.04 0.09 0.00 -1.18 0.00 0.00 61.69 59.06 1t3i s THR 395 Cb -0.10 -2.29 0.16 0.00 1.34 0.00 0.00 72.50 71.61 1t3i s THR 395 CO 0.45 -0.38 1.92 0.11 -0.54 0.00 0.00 174.62 176.18 1t3i h LYS 396 N 2.50 0.25 -0.58 3.99 1.57 -1.98 -1.71 116.57 120.60 1t3i h LYS 396 Ca -0.38 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.29 1t3i h LYS 396 Cb 1.22 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.47 1t3i h LYS 396 CO 0.64 0.38 0.15 0.93 -0.57 0.00 0.00 179.45 180.99 1t3i h GLU 397 N 0.24 0.89 -0.32 3.15 3.07 -1.99 -1.29 114.58 118.33 1t3i h GLU 397 Ca 0.05 -0.18 -0.14 0.00 -0.50 0.00 0.00 59.36 58.59 1t3i h GLU 397 Cb 0.37 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 1t3i h GLU 397 CO 0.02 0.79 -0.35 0.93 -1.40 0.00 0.00 179.01 179.00 1t3i h GLU 398 N 0.86 0.72 -0.77 2.33 5.08 -1.74 -1.96 114.58 119.09 1t3i h GLU 398 Ca 0.19 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1t3i h GLU 398 Cb 0.29 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1t3i h GLU 398 CO -0.00 0.96 0.34 0.82 -1.00 0.00 0.00 179.01 180.13 1t3i h ILE 399 N 0.60 1.25 -0.64 3.13 2.04 -0.90 -1.31 117.51 121.69 1t3i h ILE 399 Ca 0.06 -0.73 -0.08 0.00 1.00 0.00 0.00 64.86 65.11 1t3i h ILE 399 Cb 0.88 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1t3i h ILE 399 CO 0.08 0.31 0.09 0.44 0.00 0.00 0.00 178.15 179.06 1t3i h ASP 400 N 1.10 1.02 -0.81 1.72 3.45 -0.98 0.05 116.42 121.98 1t3i h ASP 400 Ca 0.26 -0.27 -0.02 0.00 0.43 0.00 0.00 57.03 57.43 1t3i h ASP 400 Cb 0.15 -0.27 -0.04 0.00 -0.56 0.00 0.00 39.33 38.61 1t3i h ASP 400 CO -0.03 1.03 0.42 -0.07 -1.57 0.00 0.00 179.24 179.02 1t3i h LEU 401 N 0.98 1.03 -0.20 1.55 3.38 -0.90 -0.72 115.31 120.43 1t3i h LEU 401 Ca 0.19 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1t3i h LEU 401 Cb 0.45 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1t3i h LEU 401 CO 0.02 0.85 0.08 0.15 0.09 0.00 0.00 178.44 179.63 1t3i h PHE 402 N 1.13 0.31 -0.68 1.13 3.57 -0.84 -0.97 116.94 120.59 1t3i h PHE 402 Ca 0.28 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 1t3i h PHE 402 Cb 0.07 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1t3i h PHE 402 CO 0.01 0.36 0.40 -0.07 -2.23 0.00 0.00 178.31 176.78 1t3i h LEU 403 N 0.16 0.81 -0.31 0.59 3.38 -0.68 0.63 115.31 119.89 1t3i h LEU 403 Ca 0.07 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1t3i h LEU 403 Cb 0.19 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1t3i h LEU 403 CO -0.00 0.63 -0.09 1.56 0.09 0.00 0.00 178.44 180.63 1t3i h GLN 404 N 0.94 0.62 -0.58 1.13 4.20 -0.87 -1.15 115.11 119.39 1t3i h GLN 404 Ca 0.24 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1t3i h GLN 404 Cb -0.02 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1t3i h GLN 404 CO -0.04 0.81 0.08 1.03 -0.67 0.00 0.00 178.83 180.03 1t3i h SER 405 N 0.38 0.90 -0.36 1.46 0.87 -0.74 -1.16 113.55 114.91 1t3i h SER 405 Ca 0.08 -0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.39 1t3i h SER 405 Cb 0.59 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1t3i h SER 405 CO 0.03 0.92 0.05 0.25 -0.53 0.00 0.00 176.83 177.56 1t3i h LEU 406 N 0.89 0.57 -0.97 2.23 5.85 -0.75 0.30 115.31 123.43 1t3i h LEU 406 Ca 0.18 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1t3i h LEU 406 Cb 0.42 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1t3i h LEU 406 CO 0.01 0.69 0.40 1.56 -0.34 0.00 0.00 178.44 180.76 1t3i h GLN 407 N 0.43 1.13 -0.61 1.25 4.20 -0.98 -0.64 115.11 119.89 1t3i h GLN 407 Ca 0.11 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 1t3i h GLN 407 Cb 0.37 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1t3i h GLN 407 CO 0.01 0.86 0.01 0.00 -0.67 0.00 0.00 178.83 179.04 1t3i h ALA 408 N 1.31 0.82 -0.65 3.87 0.00 -0.93 -1.83 119.26 121.85 1t3i h ALA 408 Ca 0.28 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1t3i h ALA 408 Cb 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1t3i h ALA 408 CO -0.04 0.66 0.35 1.15 0.00 0.00 0.00 179.25 181.37 1t3i h THR 409 N 0.98 1.21 -0.74 0.00 2.02 -0.33 -0.58 112.91 115.46 1t3i h THR 409 Ca 0.17 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 1t3i h THR 409 Cb 0.55 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1t3i h THR 409 CO 0.03 0.23 0.33 0.40 0.37 0.00 0.00 175.52 176.88 1t3i h ILE 410 N 0.89 1.24 -0.33 3.11 2.04 -0.89 -2.29 117.51 121.29 1t3i h ILE 410 Ca 0.23 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1t3i h ILE 410 Cb 0.06 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1t3i h ILE 410 CO -0.03 0.30 0.13 0.03 0.00 0.00 0.00 178.15 178.58 1t3i h ARG 411 N 1.07 0.49 -0.69 2.37 3.08 -0.63 -2.25 114.38 117.82 1t3i h ARG 411 Ca 0.25 -0.09 0.12 0.00 0.07 0.00 0.00 59.98 60.34 1t3i h ARG 411 Cb 0.16 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.04 1t3i h ARG 411 CO -0.03 0.49 0.25 0.35 -1.07 0.00 0.00 179.97 179.97 1t3i h PHE 412 N 0.38 0.43 -0.21 3.04 3.57 -0.65 -0.87 116.94 122.63 1t3i h PHE 412 Ca 0.11 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1t3i h PHE 412 Cb 0.18 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.84 1t3i h PHE 412 CO -0.00 0.06 0.00 1.19 -2.23 0.00 0.00 178.31 177.32 1t3i n PHE 413 N -5.02 0.27 1.23 0.41 3.72 -0.90 -5.11 117.46 112.06 1t3i n PHE 413 Ca 0.12 -0.14 0.13 0.00 -0.05 0.00 0.00 57.45 57.51 1t3i n PHE 413 Cb 0.36 0.00 0.30 0.00 -0.94 0.00 0.00 39.48 39.20 1t3i n PHE 413 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14