#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 3.24 0.23 3.54 1.04 -1.26 -4.86 113.70 115.63 1t3i s SER 8 Ca 0.00 1.41 -0.08 0.00 0.48 0.00 0.00 55.95 57.76 1t3i s SER 8 Cb 0.00 -2.08 0.21 0.00 0.10 0.00 0.00 66.02 64.25 1t3i s SER 8 CO 0.00 -2.78 1.90 0.25 0.98 0.00 0.00 173.24 173.59 1t3i h LEU 9 N -1.64 1.05 -0.53 2.42 5.85 -1.97 -2.08 115.31 118.41 1t3i h LEU 9 Ca -0.51 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.17 1t3i h LEU 9 Cb 1.30 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 1t3i h LEU 9 CO 0.55 0.78 0.33 0.00 -0.34 0.00 0.00 178.44 179.76 1t3i h ALA 10 N 1.32 0.67 -0.38 1.25 0.00 -1.83 -2.00 119.26 118.29 1t3i h ALA 10 Ca 0.33 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1t3i h ALA 10 Cb -0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1t3i h ALA 10 CO -0.07 0.15 0.26 0.00 0.00 0.00 0.00 179.25 179.59 1t3i h ALA 11 N 1.17 1.99 0.00 0.00 0.00 -1.71 0.06 119.26 120.76 1t3i h ALA 11 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1t3i h ALA 11 Cb -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1t3i h ALA 11 CO -0.04 -0.06 -0.04 1.79 0.00 0.00 0.00 179.25 180.90 1t3i h THR 12 N 0.29 0.00 0.00 0.00 1.35 -0.86 -3.38 112.91 110.31 1t3i h THR 12 Ca 0.17 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1t3i h THR 12 Cb 0.29 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1t3i h THR 12 CO -0.03 0.00 -0.61 1.33 -0.25 0.00 0.00 175.52 175.95 1t3i n VAL 13 N -2.46 0.00 -0.21 6.82 0.24 -0.64 -4.75 118.33 117.33 1t3i n VAL 13 Ca 0.05 -0.21 0.26 0.00 -2.04 0.00 0.00 64.34 62.40 1t3i n VAL 13 Cb 0.46 0.70 0.65 0.00 -1.47 0.00 0.00 33.84 34.18 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 0.13 0.00 7.34 3.08 -1.21 0.27 114.38 124.00 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 0.02 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1t3i h ARG 14 CO 0.00 0.09 0.00 -0.56 -1.07 0.00 0.00 179.97 178.43 1t3i h GLN 15 N 0.13 0.00 0.00 0.04 3.07 -1.85 -2.27 115.11 114.24 1t3i h GLN 15 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.19 1t3i h GLN 15 Cb 1.56 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.12 1t3i h GLN 15 CO -0.07 0.00 0.00 -0.44 0.09 0.00 0.00 178.83 178.41 1t3i h ASP 16 N 0.00 0.00 -3.53 0.06 3.32 -0.79 -3.41 116.42 112.07 1t3i h ASP 16 Ca 0.00 0.00 -0.72 0.00 0.02 0.00 0.00 57.03 56.33 1t3i h ASP 16 Cb 0.25 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 39.49 1t3i h ASP 16 CO 0.00 0.00 -0.39 -0.36 -1.72 0.00 0.00 179.24 176.77 1t3i s PHE 17 N -3.24 3.49 0.50 4.55 0.40 -0.85 -0.26 117.98 122.57 1t3i s PHE 17 Ca 0.07 -2.17 0.19 0.00 -0.60 0.00 0.00 56.93 54.42 1t3i s PHE 17 Cb 0.10 -3.40 1.27 0.00 0.51 0.00 0.00 43.02 41.49 1t3i s PHE 17 CO 0.56 -0.96 2.04 -1.00 0.70 0.00 0.00 175.22 176.56 1t3i h PRO 18 N 8.04 0.10 0.00 0.24 0.13 -1.80 -2.53 132.00 136.18 1t3i h PRO 18 Ca -0.13 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.97 1t3i h PRO 18 Cb 1.04 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 1t3i h PRO 18 CO 0.79 0.07 -0.10 0.97 -0.23 0.00 0.00 178.00 179.49 1t3i h ILE 19 N 0.10 0.33 0.00 -3.56 2.10 -1.93 -2.67 117.51 111.88 1t3i h ILE 19 Ca 0.18 -0.64 -0.03 0.00 1.08 0.00 0.00 64.86 65.45 1t3i h ILE 19 Cb 0.57 1.48 -0.00 0.00 -1.09 0.00 0.00 36.82 37.78 1t3i h ILE 19 CO -0.02 0.10 -0.13 -0.07 -1.08 0.00 0.00 178.15 176.95 1t3i h LEU 20 N 0.00 0.00 -7.38 2.19 3.38 -1.80 -3.37 115.31 108.33 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 0.47 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.02 1t3i h LEU 20 CO 0.01 0.13 1.23 -3.20 0.09 0.00 0.00 178.44 176.70 1t3i n ASN 21 N -3.26 5.37 -3.58 -0.43 5.15 -1.01 -4.59 115.26 112.92 1t3i n ASN 21 Ca 0.01 -3.05 -0.09 0.00 -0.60 0.00 0.00 54.58 50.84 1t3i n ASN 21 Cb 0.39 -1.49 -0.02 0.00 -0.53 0.00 0.00 39.78 38.14 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 0.32 1.24 -0.02 1.20 -2.07 -1.26 -5.08 119.66 113.99 1t3i s GLN 22 Ca 0.39 -0.55 0.02 0.00 -1.82 0.00 0.00 55.36 53.39 1t3i s GLN 22 Cb -0.01 0.51 -0.03 0.00 -1.09 0.00 0.00 33.01 32.38 1t3i s GLN 22 CO -0.01 -0.55 -0.05 -1.83 -1.32 0.00 0.00 175.29 171.53 1t3i s GLU 23 N -3.54 2.69 -0.12 9.60 4.04 -1.26 -1.40 118.70 128.72 1t3i s GLU 23 Ca 0.06 -0.62 0.01 0.00 0.04 0.00 0.00 54.97 54.45 1t3i s GLU 23 Cb -0.02 -2.59 0.02 0.00 0.02 0.00 0.00 34.13 31.56 1t3i s GLU 23 CO -0.06 0.63 -0.13 0.42 -1.84 0.00 0.00 175.26 174.28 1t3i s ILE 24 N -0.96 1.39 -1.40 1.83 -1.09 0.23 -4.76 121.20 116.43 1t3i s ILE 24 Ca 0.16 -0.56 -0.09 0.00 -2.23 0.00 0.00 60.65 57.94 1t3i s ILE 24 Cb -0.11 -1.30 0.06 0.00 -1.58 0.00 0.00 42.46 39.52 1t3i s ILE 24 CO 0.06 0.42 0.62 0.59 -1.23 0.00 0.00 174.94 175.40 1t3i n ASN 25 N 4.45 -4.57 0.00 3.58 5.03 -1.26 -1.21 115.26 121.27 1t3i n ASN 25 Ca -0.18 -0.44 0.00 0.00 0.87 0.00 0.00 54.58 54.84 1t3i n ASN 25 Cb 0.51 -3.73 0.00 0.00 -1.02 0.00 0.00 39.78 35.54 1t3i n ASN 25 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1t3i n GLY 26 N -1.37 0.81 3.25 7.41 0.00 -1.26 -4.79 105.19 109.24 1t3i n GLY 26 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.15 1.41 0.34 1.61 3.76 -0.35 -5.08 115.29 113.83 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 -2.14 -0.85 0.00 0.00 174.74 173.34 1t3i s PRO 28 N -2.75 4.19 0.31 8.40 0.02 -1.26 0.74 135.00 144.65 1t3i s PRO 28 Ca 0.10 2.45 -0.30 0.00 0.02 0.00 0.00 61.00 63.27 1t3i s PRO 28 Cb -0.04 -3.01 -0.11 0.00 0.02 0.00 0.00 34.50 31.35 1t3i s PRO 28 CO 0.03 -0.44 1.58 -0.11 -0.33 0.00 0.00 177.00 177.73 1t3i n LEU 29 N 0.89 4.51 -3.82 -5.54 7.94 -0.49 -4.72 117.00 115.77 1t3i n LEU 29 Ca 0.02 1.17 -0.30 0.00 -1.11 0.00 0.00 56.01 55.79 1t3i n LEU 29 Cb 0.40 -1.61 -0.14 0.00 0.53 0.00 0.00 43.42 42.60 1t3i n LEU 29 CO 0.62 0.18 -0.28 -0.69 -1.11 0.00 0.00 177.39 176.11 1t3i s VAL 30 N -0.26 1.60 -0.61 1.96 1.01 -0.89 -4.97 120.40 118.23 1t3i s VAL 30 Ca 0.61 -2.25 -0.25 0.00 0.00 0.00 0.00 61.98 60.09 1t3i s VAL 30 Cb -0.49 -2.16 0.05 0.00 0.00 0.00 0.00 36.38 33.78 1t3i s VAL 30 CO 0.52 -0.75 1.02 -0.47 0.00 0.00 0.00 175.10 175.43 1t3i s TYR 31 N 0.78 2.67 -0.34 5.22 5.04 -1.26 -0.79 117.35 128.67 1t3i s TYR 31 Ca 0.14 -0.10 0.06 0.00 -2.44 0.00 0.00 57.07 54.73 1t3i s TYR 31 Cb -0.21 -4.26 0.45 0.00 0.35 0.00 0.00 41.96 38.29 1t3i s TYR 31 CO -0.09 -1.55 1.18 1.28 -1.34 0.00 0.00 175.55 175.02 1t3i n LEU 32 N 7.91 4.92 -2.54 6.97 4.77 0.16 -4.68 117.00 134.51 1t3i n LEU 32 Ca 0.01 -4.87 -0.11 0.00 -0.03 0.00 0.00 56.01 51.01 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 0.66 2.14 0.05 -0.67 -1.33 0.00 0.00 177.39 178.23 1t3i n ASP 33 N -0.65 2.85 0.25 -1.43 2.03 -1.14 -0.32 116.55 118.14 1t3i n ASP 33 Ca 0.43 -2.79 0.14 0.00 0.52 0.00 0.00 54.79 53.09 1t3i n ASP 33 Cb 0.88 -0.44 0.61 0.00 -0.72 0.00 0.00 41.12 41.45 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 2.53 0.00 1.24 1.67 2.35 -1.62 -2.33 115.58 119.42 1t3i h ASN 34 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1t3i h ASN 34 Cb 1.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.68 1t3i h ASN 34 CO 0.46 0.11 0.00 0.00 -1.65 0.00 0.00 177.43 176.35 1t3i h ALA 35 N 1.89 1.00 0.02 -0.83 0.00 -1.87 -2.99 119.26 116.48 1t3i h ALA 35 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1t3i h ALA 35 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1t3i h ALA 35 CO 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 179.25 178.87 1t3i h ALA 36 N 2.06 0.05 -1.72 0.00 0.00 -1.83 -3.49 119.26 114.34 1t3i h ALA 36 Ca 0.00 -0.69 0.09 0.00 0.00 0.00 0.00 54.91 54.31 1t3i h ALA 36 Cb 0.62 0.18 -0.21 0.00 0.00 0.00 0.00 17.79 18.38 1t3i h ALA 36 CO 0.00 0.22 0.53 -0.08 0.00 0.00 0.00 179.25 179.92 1t3i s THR 37 N -2.28 0.00 0.30 0.00 -1.32 -1.11 -4.89 115.64 106.34 1t3i s THR 37 Ca -0.21 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.34 1t3i s THR 37 Cb -0.01 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 1t3i s THR 37 CO 0.69 0.00 0.43 -0.94 -2.21 0.00 0.00 174.62 172.59 1t3i s SER 38 N -1.42 6.09 0.43 8.08 1.04 -0.62 -4.05 113.70 123.25 1t3i s SER 38 Ca -0.00 -0.10 -0.01 0.00 0.48 0.00 0.00 55.95 56.32 1t3i s SER 38 Cb -0.01 -1.45 -0.02 0.00 0.10 0.00 0.00 66.02 64.64 1t3i s SER 38 CO -0.00 -0.30 0.66 -1.10 0.98 0.00 0.00 173.24 173.47 1t3i s GLN 39 N -4.10 3.28 -0.04 4.02 -1.52 -1.26 -4.81 119.66 115.23 1t3i s GLN 39 Ca 0.41 -0.30 0.02 0.00 -1.95 0.00 0.00 55.36 53.54 1t3i s GLN 39 Cb -0.09 -2.55 -0.03 0.00 -0.22 0.00 0.00 33.01 30.12 1t3i s GLN 39 CO 0.30 -0.14 -0.10 0.15 -0.25 0.00 0.00 175.29 175.26 1t3i s LYS 40 N -4.52 2.60 0.46 2.91 -0.14 -1.26 -4.38 119.74 115.42 1t3i s LYS 40 Ca 0.45 -0.65 -0.14 0.00 -1.36 0.00 0.00 55.97 54.28 1t3i s LYS 40 Cb -0.10 -2.49 -0.07 0.00 -1.68 0.00 0.00 37.83 33.49 1t3i s LYS 40 CO 0.39 0.63 0.89 -1.25 -0.76 0.00 0.00 175.35 175.25 1t3i s PRO 41 N -0.94 3.87 0.37 -1.68 0.04 -1.26 -4.48 135.00 130.92 1t3i s PRO 41 Ca 0.13 0.73 0.13 0.00 0.04 0.00 0.00 61.00 62.03 1t3i s PRO 41 Cb -0.11 -2.25 0.95 0.00 0.04 0.00 0.00 34.50 33.13 1t3i s PRO 41 CO 0.03 -0.17 1.82 0.00 0.04 0.00 0.00 177.00 178.72 1t3i h ARG 42 N 1.06 0.54 -0.92 4.56 3.08 -1.00 -0.60 114.38 121.10 1t3i h ARG 42 Ca -0.47 -0.03 0.15 0.00 0.07 0.00 0.00 59.98 59.69 1t3i h ARG 42 Cb 1.19 -0.12 -0.08 0.00 0.08 0.00 0.00 29.97 31.04 1t3i h ARG 42 CO 0.63 0.36 0.59 0.00 -1.07 0.00 0.00 179.97 180.47 1t3i h ALA 43 N 1.62 1.78 -0.00 0.04 0.00 -1.93 0.28 119.26 121.05 1t3i h ALA 43 Ca 0.52 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.42 1t3i h ALA 43 Cb 1.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1t3i h ALA 43 CO -0.26 -0.04 -0.14 0.28 0.00 0.00 0.00 179.25 179.09 1t3i h VAL 44 N 0.74 1.58 -0.51 0.00 2.07 -1.42 -2.88 116.25 115.83 1t3i h VAL 44 Ca 0.47 -1.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.03 1t3i h VAL 44 Cb 0.72 2.82 -0.02 0.00 -1.52 0.00 0.00 31.29 33.28 1t3i h VAL 44 CO -0.23 0.51 0.09 -0.07 0.02 0.00 0.00 177.57 177.89 1t3i h LEU 45 N -0.63 0.74 -0.83 2.57 3.38 -1.15 -2.26 115.31 117.13 1t3i h LEU 45 Ca -0.02 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 1t3i h LEU 45 Cb 0.91 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1t3i h LEU 45 CO 0.03 0.75 -0.41 -0.33 0.09 0.00 0.00 178.44 178.57 1t3i h GLU 46 N 0.76 0.36 -0.52 1.13 5.08 -0.57 -1.23 114.58 119.59 1t3i h GLU 46 Ca 0.16 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1t3i h GLU 46 Cb 0.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1t3i h GLU 46 CO 0.00 0.71 0.21 -0.22 -1.00 0.00 0.00 179.01 178.72 1t3i h LYS 47 N 0.30 0.77 -0.03 2.33 1.63 -1.20 0.29 116.57 120.66 1t3i h LYS 47 Ca 0.03 -0.14 -0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1t3i h LYS 47 Cb 0.86 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1t3i h LYS 47 CO 0.07 0.67 0.01 1.25 -3.45 0.00 0.00 179.45 178.00 1t3i h LEU 48 N 0.69 0.05 -0.67 5.20 5.85 -1.23 -2.20 115.31 123.01 1t3i h LEU 48 Ca 0.17 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 1t3i h LEU 48 Cb 0.19 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1t3i h LEU 48 CO -0.01 0.24 0.23 -0.03 -0.34 0.00 0.00 178.44 178.53 1t3i h MET 49 N -0.15 1.02 -0.59 1.25 4.05 -1.04 -2.62 114.93 116.86 1t3i h MET 49 Ca 0.01 -0.20 -0.00 0.00 -0.28 0.00 0.00 59.70 59.22 1t3i h MET 49 Cb 0.21 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.83 1t3i h MET 49 CO -0.00 0.87 0.36 1.25 0.23 0.00 0.00 176.91 179.62 1t3i h HIS 50 N 0.96 0.77 0.17 1.39 -0.00 -0.37 -1.54 115.15 116.53 1t3i h HIS 50 Ca 0.22 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.59 1t3i h HIS 50 Cb 0.26 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 1t3i h HIS 50 CO 0.02 0.52 -0.13 -0.92 -0.00 0.00 0.00 177.93 177.42 1t3i h TYR 51 N 0.79 -0.33 0.00 5.26 5.03 -1.17 -0.45 116.97 126.10 1t3i h TYR 51 Ca 0.21 -0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.46 1t3i h TYR 51 Cb -0.03 0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.37 1t3i h TYR 51 CO -0.02 -0.20 -0.28 1.88 -1.32 0.00 0.00 178.16 178.22 1t3i h TYR 52 N -0.31 0.00 0.00 -3.82 0.05 -1.32 0.18 116.97 111.75 1t3i h TYR 52 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1t3i h TYR 52 Cb 0.27 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.01 1t3i h TYR 52 CO -0.10 0.28 -0.49 0.39 -1.05 0.00 0.00 178.16 177.18 1t3i n GLU 53 N -4.13 0.19 0.00 4.88 1.02 -0.59 -4.54 120.64 117.46 1t3i n GLU 53 Ca -0.02 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1t3i n GLU 53 Cb 0.33 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 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 -1.92 1.19 -0.16 1.62 3.02 -0.19 -4.97 115.26 113.84 1t3i n ASN 54 Ca 0.04 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.64 1t3i n ASN 54 Cb 0.40 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.56 1t3i n ASN 54 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1t3i n ASP 55 N -2.18 0.98 -4.64 6.41 8.00 0.49 -4.98 116.55 120.63 1t3i n ASP 55 Ca 0.00 -0.99 -0.58 0.00 0.71 0.00 0.00 54.79 53.93 1t3i n ASP 55 Cb 0.22 0.61 -0.08 0.00 -0.02 0.00 0.00 41.12 41.85 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 -0.51 2.09 -3.62 -2.24 5.15 -0.31 -4.15 115.26 111.67 1t3i n ASN 56 Ca 0.03 0.96 -0.04 0.00 -0.60 0.00 0.00 54.58 54.93 1t3i n ASN 56 Cb 0.19 -1.11 -0.01 0.00 -0.53 0.00 0.00 39.78 38.31 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 4.27 -1.93 0.51 5.20 0.00 -1.26 -4.91 121.76 123.64 1t3i s ALA 57 Ca 1.03 0.80 -0.21 0.00 0.00 0.00 0.00 51.96 53.58 1t3i s ALA 57 Cb -1.12 0.36 -0.07 0.00 0.00 0.00 0.00 23.12 22.29 1t3i s ALA 57 CO 0.65 -0.86 1.14 1.21 0.00 0.00 0.00 175.76 177.90 1t3i s ASN 58 N -2.67 5.91 -0.80 0.00 3.04 -1.26 -4.89 114.94 114.27 1t3i s ASN 58 Ca 0.10 2.21 -0.11 0.00 0.04 0.00 0.00 52.86 55.10 1t3i s ASN 58 Cb 0.00 -2.59 0.21 0.00 -1.54 0.00 0.00 41.25 37.34 1t3i s ASN 58 CO -0.04 -1.09 0.71 0.68 -3.04 0.00 0.00 177.10 174.32 1t3i s VAL 59 N -1.70 5.18 -0.47 -5.21 -7.23 -1.26 -4.61 120.40 105.11 1t3i s VAL 59 Ca 0.69 -2.66 0.07 0.00 -1.81 0.00 0.00 61.98 58.28 1t3i s VAL 59 Cb -0.25 -4.22 0.18 0.00 0.56 0.00 0.00 36.38 32.65 1t3i s VAL 59 CO 0.29 -1.00 0.68 0.00 -0.31 0.00 0.00 175.10 174.76 1t3i s ALA 63 N 0.01 -2.22 0.91 1.32 0.00 -1.26 -4.94 121.76 115.58 1t3i s ALA 63 Ca 0.19 -0.12 -0.11 0.00 0.00 0.00 0.00 51.96 51.91 1t3i s ALA 63 Cb -0.12 -2.72 0.14 0.00 0.00 0.00 0.00 23.12 20.41 1t3i s ALA 63 CO -0.08 -2.23 1.09 -3.38 0.00 0.00 0.00 175.76 171.17 1t3i s HIS 64 N 1.35 2.15 0.19 0.00 -3.43 -1.26 -4.63 115.29 109.66 1t3i s HIS 64 Ca 0.23 1.37 -0.25 0.00 -0.80 0.00 0.00 55.06 55.61 1t3i s HIS 64 Cb -0.02 -3.16 0.07 0.00 -1.43 0.00 0.00 32.58 28.04 1t3i s HIS 64 CO -0.06 -2.52 1.55 -0.56 -2.00 0.00 0.00 174.74 171.14 1t3i h GLN 65 N -1.65 -0.02 -0.89 -0.38 -0.00 -2.03 -0.25 115.11 109.88 1t3i h GLN 65 Ca -0.49 0.00 0.05 0.00 -0.00 0.00 0.00 58.65 58.21 1t3i h GLN 65 Cb 1.28 0.01 -0.06 0.00 -0.00 0.00 0.00 27.48 28.71 1t3i h GLN 65 CO 0.52 -0.02 0.57 -0.07 -0.00 0.00 0.00 178.83 179.83 1t3i h LEU 66 N -0.03 0.91 -0.79 0.06 4.07 -1.92 -0.93 115.31 116.69 1t3i h LEU 66 Ca 0.24 0.01 0.01 0.00 0.08 0.00 0.00 57.88 58.21 1t3i h LEU 66 Cb 0.51 -0.19 -0.04 0.00 1.08 0.00 0.00 40.66 42.02 1t3i h LEU 66 CO -0.94 0.60 0.52 -1.28 -1.08 0.00 0.00 178.44 176.26 1t3i h SER 67 N 1.05 0.90 -0.29 -0.43 0.87 -1.34 0.11 113.55 114.42 1t3i h SER 67 Ca 0.38 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.90 1t3i h SER 67 Cb 0.11 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1t3i h SER 67 CO -0.15 0.66 0.14 0.58 -0.53 0.00 0.00 176.83 177.52 1t3i h VAL 68 N 1.07 1.16 -0.60 2.23 2.07 -0.33 0.22 116.25 122.06 1t3i h VAL 68 Ca 0.29 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1t3i h VAL 68 Cb -0.12 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1t3i h VAL 68 CO -0.06 0.16 0.20 0.03 0.02 0.00 0.00 177.57 177.92 1t3i h ARG 69 N 0.34 0.92 -0.39 1.57 3.08 -0.81 0.30 114.38 119.39 1t3i h ARG 69 Ca 0.10 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 1t3i h ARG 69 Cb 0.13 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1t3i h ARG 69 CO -0.01 0.82 0.00 0.00 -1.07 0.00 0.00 179.97 179.71 1t3i h ALA 70 N 1.06 0.52 -0.52 0.04 0.00 -0.60 -2.37 119.26 117.39 1t3i h ALA 70 Ca 0.20 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1t3i h ALA 70 Cb 0.27 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1t3i h ALA 70 CO -0.01 0.29 0.22 1.15 0.00 0.00 0.00 179.25 180.91 1t3i h THR 71 N 0.51 1.21 -0.70 0.00 2.02 -0.34 -0.83 112.91 114.78 1t3i h THR 71 Ca 0.11 -0.64 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 1t3i h THR 71 Cb 0.47 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1t3i h THR 71 CO 0.02 0.25 0.27 0.44 0.37 0.00 0.00 175.52 176.87 1t3i h ASP 72 N 0.70 0.97 -0.27 4.18 3.32 -0.89 -0.37 116.42 124.05 1t3i h ASP 72 Ca 0.18 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1t3i h ASP 72 Cb 0.17 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1t3i h ASP 72 CO -0.02 0.88 0.01 0.00 -1.72 0.00 0.00 179.24 178.40 1t3i h ALA 73 N 1.12 0.37 -0.40 3.45 0.00 -1.22 -2.82 119.26 119.76 1t3i h ALA 73 Ca 0.23 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1t3i h ALA 73 Cb 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1t3i h ALA 73 CO -0.02 0.09 0.03 -0.92 0.00 0.00 0.00 179.25 178.43 1t3i h TYR 74 N 0.27 0.75 0.00 0.00 5.03 -1.01 -3.08 116.97 118.92 1t3i h TYR 74 Ca 0.08 -0.12 -0.05 0.00 2.58 0.00 0.00 58.73 61.22 1t3i h TYR 74 Cb 0.40 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.47 1t3i h TYR 74 CO 0.03 0.75 -0.22 0.93 -1.32 0.00 0.00 178.16 178.33 1t3i h GLU 75 N 0.53 0.00 0.00 1.82 5.08 -1.09 -2.64 114.58 118.28 1t3i h GLU 75 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1t3i h GLU 75 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1t3i h GLU 75 CO 0.02 0.22 0.00 0.00 -1.00 0.00 0.00 179.01 178.25 1t3i h ALA 76 N 1.78 1.00 -0.54 3.43 0.00 -1.40 -3.27 119.26 120.26 1t3i h ALA 76 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1t3i h ALA 76 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1t3i h ALA 76 CO 0.03 0.00 -0.05 0.28 0.00 0.00 0.00 179.25 179.51 1t3i h VAL 77 N 0.00 1.27 -0.88 0.00 2.07 -1.53 -3.28 116.25 113.90 1t3i h VAL 77 Ca 0.00 -1.17 0.12 0.00 0.82 0.00 0.00 66.70 66.46 1t3i h VAL 77 Cb 0.55 0.95 -0.08 0.00 -1.52 0.00 0.00 31.29 31.18 1t3i h VAL 77 CO 0.00 0.42 0.51 -0.09 0.02 0.00 0.00 177.57 178.42 1t3i h ARG 78 N 0.85 0.77 0.00 1.57 2.43 -1.74 -0.67 114.38 117.59 1t3i h ARG 78 Ca 0.15 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 1t3i h ARG 78 Cb 0.59 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1t3i h ARG 78 CO 0.04 0.51 -0.34 -0.97 -1.51 0.00 0.00 179.97 177.69 1t3i h ASN 79 N 0.80 0.00 -0.44 -3.80 -1.24 -1.79 -0.64 115.58 108.47 1t3i h ASN 79 Ca 0.44 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.37 1t3i h ASN 79 Cb 0.48 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.52 1t3i h ASN 79 CO -0.28 0.34 -0.04 0.11 -1.29 0.00 0.00 177.43 176.27 1t3i h LYS 80 N 0.00 0.80 -0.30 6.67 1.57 -1.21 -0.53 116.57 123.57 1t3i h LYS 80 Ca -0.00 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 1t3i h LYS 80 Cb 0.99 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1t3i h LYS 80 CO 0.04 0.89 -0.22 0.28 -0.57 0.00 0.00 179.45 179.87 1t3i h VAL 81 N 0.64 1.30 -0.24 0.50 2.07 -1.15 -1.26 116.25 118.11 1t3i h VAL 81 Ca 0.12 -1.37 0.04 0.00 0.82 0.00 0.00 66.70 66.31 1t3i h VAL 81 Cb 0.55 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1t3i h VAL 81 CO 0.03 0.44 0.02 0.00 0.02 0.00 0.00 177.57 178.08 1t3i h ALA 82 N 0.73 0.22 -0.56 1.67 0.00 -1.01 -2.32 119.26 118.00 1t3i h ALA 82 Ca 0.06 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1t3i h ALA 82 Cb 0.78 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1t3i h ALA 82 CO 0.06 -0.40 0.12 1.57 0.00 0.00 0.00 179.25 180.60 1t3i h LYS 83 N 0.10 0.87 -0.74 0.00 2.10 -1.04 0.23 116.57 118.09 1t3i h LYS 83 Ca 0.11 -0.19 0.07 0.00 -2.00 0.00 0.00 60.65 58.64 1t3i h LYS 83 Cb 0.13 -0.13 -0.05 0.00 -0.90 0.00 0.00 32.23 31.29 1t3i h LYS 83 CO -0.17 0.79 0.48 0.35 -2.00 0.00 0.00 179.45 178.90 1t3i h PHE 84 N 0.83 0.76 -0.30 0.07 3.04 -0.67 -2.34 116.94 118.34 1t3i h PHE 84 Ca 0.18 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.15 1t3i h PHE 84 Cb 0.33 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.58 1t3i h PHE 84 CO 0.02 0.40 0.00 0.44 -2.02 0.00 0.00 178.31 177.15 1t3i n ILE 85 N -4.48 0.81 -3.60 1.41 -5.35 -1.06 -4.48 119.36 102.61 1t3i n ILE 85 Ca 0.11 -0.91 -0.22 0.00 -0.27 0.00 0.00 62.75 61.46 1t3i n ILE 85 Cb 0.24 0.64 0.07 0.00 -1.74 0.00 0.00 39.64 38.85 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 0.57 -4.00 -4.80 7.28 5.15 -0.01 -0.91 115.26 118.54 1t3i n ASN 86 Ca 0.11 -0.64 -0.34 0.00 -0.60 0.00 0.00 54.58 53.12 1t3i n ASN 86 Cb 0.41 -4.79 -0.02 0.00 -0.53 0.00 0.00 39.78 34.85 1t3i n ASN 86 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1t3i s ALA 87 N -3.38 2.84 0.25 5.20 0.00 0.60 -4.11 121.76 123.15 1t3i s ALA 87 Ca 0.32 0.55 -0.01 0.00 0.00 0.00 0.00 51.96 52.83 1t3i s ALA 87 Cb -0.15 -3.25 0.29 0.00 0.00 0.00 0.00 23.12 20.02 1t3i s ALA 87 CO 0.75 -0.44 1.67 0.00 0.00 0.00 0.00 175.76 177.74 1t3i h ARG 88 N 1.27 0.62 -3.49 0.00 3.08 -1.94 -3.44 114.38 110.47 1t3i h ARG 88 Ca -0.49 -0.25 -0.16 0.00 0.07 0.00 0.00 59.98 59.16 1t3i h ARG 88 Cb 1.22 -0.03 -0.22 0.00 0.08 0.00 0.00 29.97 31.02 1t3i h ARG 88 CO 0.59 0.81 -0.52 0.45 -1.07 0.00 0.00 179.97 180.23 1t3i s SER 89 N -6.79 -0.02 0.21 7.04 0.15 -1.26 -5.01 113.70 108.02 1t3i s SER 89 Ca -0.08 -0.06 0.20 0.00 0.70 0.00 0.00 55.95 56.71 1t3i s SER 89 Cb 0.13 0.23 0.89 0.00 -1.71 0.00 0.00 66.02 65.56 1t3i s SER 89 CO 0.81 -0.26 1.61 -0.81 1.20 0.00 0.00 173.24 175.78 1t3i n PRO 90 N 1.95 0.14 0.00 5.44 -0.04 -1.26 -1.30 135.00 139.92 1t3i n PRO 90 Ca -0.20 0.45 0.07 0.00 -0.04 0.00 0.00 63.50 63.78 1t3i n PRO 90 Cb 0.57 -1.80 0.31 0.00 -0.04 0.00 0.00 33.50 32.54 1t3i n PRO 90 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1t3i n ARG 91 N -2.06 0.00 -0.13 0.54 1.74 -1.26 -2.15 116.66 113.34 1t3i n ARG 91 Ca 0.01 0.25 0.11 0.00 -0.77 0.00 0.00 57.85 57.45 1t3i n ARG 91 Cb 0.16 -1.50 0.29 0.00 -1.02 0.00 0.00 32.46 30.39 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 -1.50 2.09 -4.03 5.56 1.02 -0.42 -4.17 120.64 119.19 1t3i n GLU 92 Ca 0.04 -1.64 -0.35 0.00 -0.02 0.00 0.00 57.16 55.18 1t3i n GLU 92 Cb 0.17 -1.45 -0.13 0.00 -0.02 0.00 0.00 31.44 30.02 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 -1.67 3.86 -0.12 -3.67 -1.09 -0.91 -1.02 121.20 116.58 1t3i s ILE 93 Ca 0.35 -0.34 0.03 0.00 -2.23 0.00 0.00 60.65 58.46 1t3i s ILE 93 Cb 0.20 -2.75 0.01 0.00 -1.58 0.00 0.00 42.46 38.33 1t3i s ILE 93 CO 0.28 0.42 -0.23 -0.69 -1.23 0.00 0.00 174.94 173.50 1t3i s VAL 94 N 1.13 2.05 0.21 2.92 1.01 0.36 -4.79 120.40 123.30 1t3i s VAL 94 Ca 0.03 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 60.73 1t3i s VAL 94 Cb -0.14 -1.80 -0.09 0.00 0.00 0.00 0.00 36.38 34.35 1t3i s VAL 94 CO 0.01 0.55 0.90 -0.31 0.00 0.00 0.00 175.10 176.25 1t3i s TYR 95 N 0.63 3.96 0.35 5.22 2.02 -1.26 -0.31 117.35 127.96 1t3i s TYR 95 Ca -0.12 1.84 0.05 0.00 -0.37 0.00 0.00 57.07 58.48 1t3i s TYR 95 Cb -0.16 -2.93 -0.03 0.00 -0.40 0.00 0.00 41.96 38.44 1t3i s TYR 95 CO 0.02 0.46 0.21 0.95 -1.57 0.00 0.00 175.55 175.62 1t3i s THR 96 N -1.10 0.24 0.09 -0.71 -4.23 -0.56 -4.89 115.64 104.48 1t3i s THR 96 Ca 0.40 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.79 1t3i s THR 96 Cb -0.25 -2.44 -0.22 0.00 1.34 0.00 0.00 72.50 70.93 1t3i s THR 96 CO 0.30 0.00 1.22 -0.09 -0.54 0.00 0.00 174.62 175.52 1t3i h ARG 97 N 2.03 0.67 -3.10 3.99 2.43 -1.83 0.37 114.38 118.95 1t3i h ARG 97 Ca -0.30 -0.70 -0.01 0.00 -0.81 0.00 0.00 59.98 58.16 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 0.46 1.29 0.22 0.54 -1.51 0.00 0.00 179.97 180.96 1t3i s ASN 98 N -7.24 -0.02 0.39 -3.80 2.20 -1.26 -1.14 114.94 104.07 1t3i s ASN 98 Ca -0.09 -1.00 0.06 0.00 -0.94 0.00 0.00 52.86 50.88 1t3i s ASN 98 Cb 0.07 0.79 0.78 0.00 -2.00 0.00 0.00 41.25 40.90 1t3i s ASN 98 CO 0.91 -1.54 2.02 0.00 -2.94 0.00 0.00 177.10 175.55 1t3i h ALA 99 N 2.02 1.62 -0.48 3.54 0.00 -1.89 -2.12 119.26 121.95 1t3i h ALA 99 Ca -0.28 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.60 1t3i h ALA 99 Cb 1.25 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1t3i h ALA 99 CO 0.35 0.32 0.26 1.15 0.00 0.00 0.00 179.25 181.34 1t3i h THR 100 N 0.59 1.01 -0.79 0.00 2.02 -1.91 -0.76 112.91 113.07 1t3i h THR 100 Ca 0.15 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1t3i h THR 100 Cb 0.00 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 66.81 1t3i h THR 100 CO -0.03 0.10 0.43 -0.08 0.37 0.00 0.00 175.52 176.31 1t3i h GLU 101 N 0.53 1.09 -0.73 6.66 4.81 -1.80 -1.57 114.58 123.57 1t3i h GLU 101 Ca 0.20 -0.13 0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1t3i h GLU 101 Cb 0.06 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.18 1t3i h GLU 101 CO -0.12 0.81 0.44 0.00 -0.73 0.00 0.00 179.01 179.41 1t3i h ALA 102 N 1.23 0.98 -0.40 2.92 0.00 -0.92 0.34 119.26 123.41 1t3i h ALA 102 Ca 0.28 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1t3i h ALA 102 Cb 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1t3i h ALA 102 CO -0.04 0.17 -0.02 0.82 0.00 0.00 0.00 179.25 180.17 1t3i h ILE 103 N 0.83 1.26 -0.53 0.00 2.04 -0.76 -2.75 117.51 117.61 1t3i h ILE 103 Ca 0.31 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1t3i h ILE 103 Cb 0.12 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1t3i h ILE 103 CO -0.15 0.36 0.25 0.78 0.00 0.00 0.00 178.15 179.38 1t3i h ASN 104 N 0.55 0.66 -0.15 1.72 2.35 -0.70 -0.04 115.58 119.97 1t3i h ASN 104 Ca 0.11 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1t3i h ASN 104 Cb 0.51 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1t3i h ASN 104 CO 0.03 0.57 0.10 0.25 -1.65 0.00 0.00 177.43 176.73 1t3i h LEU 105 N 0.74 0.18 -0.65 1.61 6.46 -0.73 0.18 115.31 123.11 1t3i h LEU 105 Ca 0.18 -0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.88 1t3i h LEU 105 Cb 0.09 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 1t3i h LEU 105 CO -0.02 0.13 0.17 0.58 -0.62 0.00 0.00 178.44 178.67 1t3i h VAL 106 N 0.21 1.26 -0.36 1.05 2.07 -1.15 0.14 116.25 119.46 1t3i h VAL 106 Ca 0.06 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 1t3i h VAL 106 Cb -0.02 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1t3i h VAL 106 CO -0.01 0.35 0.21 0.00 0.02 0.00 0.00 177.57 178.14 1t3i h ALA 107 N 1.06 0.46 0.08 1.67 0.00 -0.54 0.24 119.26 122.22 1t3i h ALA 107 Ca 0.20 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 1t3i h ALA 107 Cb 0.35 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.01 1t3i h ALA 107 CO 0.00 -0.04 -0.85 1.88 0.00 0.00 0.00 179.25 180.24 1t3i h TYR 108 N 0.47 0.71 0.04 0.00 0.05 -0.52 0.01 116.97 117.73 1t3i h TYR 108 Ca 0.13 -0.44 -0.00 0.00 0.05 0.00 0.00 58.73 58.46 1t3i h TYR 108 Cb 0.02 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.70 1t3i h TYR 108 CO -0.03 1.30 -0.02 1.03 -1.05 0.00 0.00 178.16 179.38 1t3i h SER 109 N -0.07 -0.04 0.00 3.88 0.87 -0.76 -3.33 113.55 114.09 1t3i h SER 109 Ca -0.13 -0.64 -0.12 0.00 -1.23 0.00 0.00 61.79 59.68 1t3i h SER 109 Cb 1.59 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.54 1t3i h SER 109 CO 0.16 0.66 -0.90 1.87 -0.53 0.00 0.00 176.83 178.09 1t3i n TRP 110 N -4.77 0.95 0.02 2.24 -0.00 -0.09 -4.20 117.44 111.58 1t3i n TRP 110 Ca -0.09 0.41 -0.12 0.00 -0.00 0.00 0.00 57.50 57.70 1t3i n TRP 110 Cb 0.33 -0.93 -0.06 0.00 -0.00 0.00 0.00 31.31 30.66 1t3i n TRP 110 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1t3i h GLY 111 N -1.00 -0.64 2.00 5.87 0.00 -0.68 0.12 103.07 108.73 1t3i h GLY 111 Ca -0.18 0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 1t3i h GLY 111 CO -0.11 -0.23 -0.03 -0.33 0.00 0.00 0.00 176.54 175.85 1t3i h MET 112 N -0.48 0.00 -0.00 4.80 2.86 -1.11 -2.38 114.93 118.61 1t3i h MET 112 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1t3i h MET 112 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1t3i h MET 112 CO -0.36 0.03 -0.64 0.09 1.06 0.00 0.00 176.91 177.08 1t3i n ASN 113 N -3.41 0.93 -0.00 1.22 3.02 -0.80 -4.60 115.26 111.62 1t3i n ASN 113 Ca -0.02 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 1t3i n ASN 113 Cb 0.13 0.88 -0.00 0.00 -0.61 0.00 0.00 39.78 40.18 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 -1.08 0.39 -4.55 6.41 4.13 0.35 -5.01 115.26 115.90 1t3i n ASN 114 Ca 0.04 -0.69 -0.34 0.00 1.68 0.00 0.00 54.58 55.26 1t3i n ASN 114 Cb 0.26 0.62 -0.11 0.00 -1.54 0.00 0.00 39.78 39.01 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 -1.24 3.51 0.40 3.41 1.02 -0.91 -5.05 118.68 119.82 1t3i s LEU 115 Ca 0.00 -0.04 0.08 0.00 0.02 0.00 0.00 54.13 54.18 1t3i s LEU 115 Cb 0.00 -1.87 -0.06 0.00 0.02 0.00 0.00 46.19 44.28 1t3i s LEU 115 CO 0.00 0.16 0.12 -1.59 0.02 0.00 0.00 176.35 175.06 1t3i s LYS 116 N 0.46 2.16 0.20 1.70 -2.85 -1.26 -4.82 119.74 115.32 1t3i s LYS 116 Ca -0.00 -1.86 -0.32 0.00 -1.00 0.00 0.00 55.97 52.78 1t3i s LYS 116 Cb -0.13 -1.92 -0.14 0.00 -2.06 0.00 0.00 37.83 33.57 1t3i s LYS 116 CO 0.02 -0.05 1.39 0.00 0.10 0.00 0.00 175.35 176.81 1t3i n ALA 117 N -1.13 0.63 0.00 0.59 0.00 -0.75 -1.12 120.51 118.73 1t3i n ALA 117 Ca -0.02 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1t3i n ALA 117 Cb 0.64 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 2.39 3.06 3.75 0.00 0.00 -0.98 -4.90 105.19 108.51 1t3i n GLY 118 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 0.19 2.73 -4.60 1.61 8.00 -0.27 -4.64 116.55 119.57 1t3i n ASP 119 Ca 0.00 0.98 -0.32 0.00 0.71 0.00 0.00 54.79 56.16 1t3i n ASP 119 Cb 0.00 -1.58 -0.10 0.00 -0.02 0.00 0.00 41.12 39.42 1t3i n ASP 119 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1t3i s GLU 120 N -2.89 2.59 -0.18 -1.24 2.02 0.05 -0.07 118.70 118.98 1t3i s GLU 120 Ca 0.72 -0.70 0.01 0.00 0.02 0.00 0.00 54.97 55.01 1t3i s GLU 120 Cb -0.42 -2.53 0.02 0.00 0.10 0.00 0.00 34.13 31.31 1t3i s GLU 120 CO 0.49 0.61 -0.19 0.42 0.02 0.00 0.00 175.26 176.61 1t3i s ILE 121 N -1.00 2.17 -0.21 -1.63 1.01 0.83 -1.29 121.20 121.08 1t3i s ILE 121 Ca 0.17 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.80 1t3i s ILE 121 Cb -0.11 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.39 1t3i s ILE 121 CO 0.07 0.52 0.17 -0.63 0.00 0.00 0.00 174.94 175.08 1t3i s ILE 122 N 1.30 5.37 0.00 2.92 1.01 0.59 -0.48 121.20 131.92 1t3i s ILE 122 Ca 0.05 0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.96 1t3i s ILE 122 Cb -0.13 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.82 1t3i s ILE 122 CO -0.12 0.39 0.00 1.07 0.00 0.00 0.00 174.94 176.28 1t3i n THR 123 N 3.82 0.00 -4.44 2.92 5.66 -0.31 -0.71 114.28 121.23 1t3i n THR 123 Ca -0.15 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.63 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 -1.30 1.76 -0.78 1.09 -4.23 -1.26 -0.77 115.64 110.16 1t3i s THR 124 Ca 0.00 -2.15 0.23 0.00 -1.18 0.00 0.00 61.69 58.58 1t3i s THR 124 Cb 0.00 -2.45 0.22 0.00 1.34 0.00 0.00 72.50 71.61 1t3i s THR 124 CO 0.00 -0.31 1.70 1.33 -0.54 0.00 0.00 174.62 176.80 1t3i n VAL 125 N -0.60 0.67 1.12 2.29 0.24 -0.86 -3.19 118.33 117.99 1t3i n VAL 125 Ca -0.05 0.08 0.12 0.00 -2.04 0.00 0.00 64.34 62.45 1t3i n VAL 125 Cb 0.63 -0.87 0.19 0.00 -1.47 0.00 0.00 33.84 32.32 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 -1.90 1.91 -1.62 7.34 0.00 -1.26 -3.64 117.12 117.95 1t3i n MET 126 Ca 0.04 -1.49 -0.40 0.00 0.00 0.00 0.00 57.70 55.86 1t3i n MET 126 Cb 0.28 -1.47 0.03 0.00 0.00 0.00 0.00 33.22 32.05 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 0.75 1.26 -2.46 3.17 -0.58 -1.19 -4.86 120.64 116.73 1t3i n GLU 127 Ca 0.14 0.46 -0.34 0.00 -0.42 0.00 0.00 57.16 57.00 1t3i n GLU 127 Cb 0.51 -2.13 -0.02 0.00 -0.57 0.00 0.00 31.44 29.23 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 -1.36 2.92 0.47 -0.32 5.65 -1.26 -4.60 115.29 116.79 1t3i s HIS 128 Ca 0.67 1.57 0.20 0.00 0.25 0.00 0.00 55.06 57.75 1t3i s HIS 128 Cb -0.50 -3.11 1.20 0.00 -1.18 0.00 0.00 32.58 28.99 1t3i s HIS 128 CO 0.54 -1.01 1.93 0.45 -0.65 0.00 0.00 174.74 176.00 1t3i h HIS 129 N 1.43 0.30 0.00 3.88 3.86 -1.07 -0.46 115.15 123.08 1t3i h HIS 129 Ca -0.49 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 58.72 1t3i h HIS 129 Cb 1.23 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 29.61 1t3i h HIS 129 CO 0.56 0.11 -0.00 0.77 0.86 0.00 0.00 177.93 180.22 1t3i h SER 130 N 0.25 0.00 -0.43 2.45 0.02 -1.91 0.10 113.55 114.03 1t3i h SER 130 Ca 0.35 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.12 1t3i h SER 130 Cb 1.03 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.46 1t3i h SER 130 CO -0.08 0.00 0.04 -3.20 -1.14 0.00 0.00 176.83 172.46 1t3i n ASN 131 N -3.10 3.01 0.05 3.07 4.05 -0.19 -4.47 115.26 117.69 1t3i n ASN 131 Ca -0.01 -3.58 0.00 0.00 0.45 0.00 0.00 54.58 51.44 1t3i n ASN 131 Cb 0.23 -0.65 0.00 0.00 1.23 0.00 0.00 39.78 40.59 1t3i n ASN 131 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1t3i n LEU 132 N -0.97 0.02 -0.22 1.20 7.94 -0.65 -4.84 117.00 119.48 1t3i n LEU 132 Ca 0.35 0.16 -0.02 0.00 -1.11 0.00 0.00 56.01 55.39 1t3i n LEU 132 Cb 1.11 0.11 0.09 0.00 0.53 0.00 0.00 43.42 45.25 1t3i n LEU 132 CO 0.25 -0.55 1.08 0.58 -1.11 0.00 0.00 177.39 177.63 1t3i h VAL 133 N 0.00 0.97 -0.67 1.96 2.07 -1.09 -1.10 116.25 118.39 1t3i h VAL 133 Ca 0.00 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.32 1t3i h VAL 133 Cb 0.11 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 1t3i h VAL 133 CO 0.00 0.12 0.44 -0.65 0.02 0.00 0.00 177.57 177.50 1t3i h PRO 134 N 0.65 0.80 0.00 1.57 0.11 -1.78 -0.32 132.00 133.03 1t3i h PRO 134 Ca 0.29 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.23 1t3i h PRO 134 Cb 0.18 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1t3i h PRO 134 CO -0.18 0.53 -0.56 -1.49 -0.21 0.00 0.00 178.00 176.09 1t3i h TRP 135 N 0.83 0.00 -0.15 0.65 4.06 -1.69 -1.19 115.95 118.46 1t3i h TRP 135 Ca 0.26 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 61.05 1t3i h TRP 135 Cb 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.18 1t3i h TRP 135 CO -0.00 0.56 -0.59 1.96 -3.56 0.00 0.00 178.44 176.81 1t3i h GLN 136 N 0.00 0.49 -0.58 0.49 4.20 -0.17 -0.29 115.11 119.26 1t3i h GLN 136 Ca -0.01 -0.33 -0.08 0.00 0.06 0.00 0.00 58.65 58.30 1t3i h GLN 136 Cb 1.17 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.98 1t3i h GLN 136 CO 0.07 0.94 0.05 0.52 -0.67 0.00 0.00 178.83 179.74 1t3i h MET 137 N 0.37 0.99 -0.42 1.46 2.86 -0.79 -1.50 114.93 117.89 1t3i h MET 137 Ca -0.00 -0.29 -0.05 0.00 -2.06 0.00 0.00 59.70 57.30 1t3i h MET 137 Cb 1.14 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 1t3i h MET 137 CO 0.11 0.96 0.07 0.28 1.06 0.00 0.00 176.91 179.39 1t3i h VAL 138 N 0.88 1.24 -0.94 -2.22 2.07 -1.04 -2.71 116.25 113.53 1t3i h VAL 138 Ca 0.17 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1t3i h VAL 138 Cb 0.48 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 1t3i h VAL 138 CO 0.02 0.30 0.58 0.00 0.02 0.00 0.00 177.57 178.50 1t3i h ALA 139 N 0.94 1.20 -0.07 1.67 0.00 -0.87 0.29 119.26 122.42 1t3i h ALA 139 Ca 0.13 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1t3i h ALA 139 Cb 0.37 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1t3i h ALA 139 CO 0.01 0.64 -0.31 0.00 0.00 0.00 0.00 179.25 179.59 1t3i h ALA 140 N 1.32 1.36 0.06 0.00 0.00 -1.13 0.91 119.26 121.78 1t3i h ALA 140 Ca 0.34 -0.31 -0.32 0.00 0.00 0.00 0.00 54.91 54.61 1t3i h ALA 140 Cb -0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1t3i h ALA 140 CO -0.07 0.46 -1.82 0.36 0.00 0.00 0.00 179.25 178.18 1t3i n LYS 141 N -4.14 0.69 -0.02 0.00 0.00 -0.95 -4.48 118.16 109.27 1t3i n LYS 141 Ca -0.02 0.29 0.05 0.00 -0.00 0.00 0.00 58.31 58.63 1t3i n LYS 141 Cb 0.38 -1.76 -0.14 0.00 -0.00 0.00 0.00 35.03 33.50 1t3i n LYS 141 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1t3i n THR 142 N -3.24 0.51 -0.34 0.58 -2.24 0.05 -4.98 114.28 104.63 1t3i n THR 142 Ca -0.23 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 1t3i n THR 142 Cb 1.05 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 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 1.39 0.74 3.70 3.38 0.00 0.31 -1.80 105.19 112.89 1t3i n GLY 143 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.40 1.71 -0.06 4.61 0.00 -1.20 -2.31 121.76 122.11 1t3i s ALA 144 Ca 0.00 0.63 0.06 0.00 0.00 0.00 0.00 51.96 52.65 1t3i s ALA 144 Cb 0.00 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 1t3i s ALA 144 CO 0.00 -2.46 -0.25 0.08 0.00 0.00 0.00 175.76 173.14 1t3i s VAL 145 N -2.52 2.06 -0.01 0.00 1.01 0.90 -4.61 120.40 117.24 1t3i s VAL 145 Ca 0.68 -1.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.43 1t3i s VAL 145 Cb -0.24 -1.75 -0.06 0.00 0.00 0.00 0.00 36.38 34.34 1t3i s VAL 145 CO 0.55 0.57 0.49 -0.76 0.00 0.00 0.00 175.10 175.94 1t3i s LEU 146 N -0.11 4.44 0.09 3.92 1.43 -1.26 -0.12 118.68 127.07 1t3i s LEU 146 Ca -0.05 1.03 0.09 0.00 -1.03 0.00 0.00 54.13 54.17 1t3i s LEU 146 Cb -0.14 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 1t3i s LEU 146 CO 0.04 0.21 -0.25 -0.54 0.23 0.00 0.00 176.35 176.05 1t3i s LYS 147 N -0.60 1.45 -0.13 1.70 -0.14 0.37 -4.92 119.74 117.47 1t3i s LYS 147 Ca 0.26 -1.19 0.00 0.00 -1.36 0.00 0.00 55.97 53.68 1t3i s LYS 147 Cb -0.17 -1.76 0.02 0.00 -1.68 0.00 0.00 37.83 34.24 1t3i s LYS 147 CO 0.15 0.43 -0.12 -0.06 -0.76 0.00 0.00 175.35 174.99 1t3i s PHE 148 N -0.98 1.89 0.16 3.18 0.08 -1.26 -1.16 117.98 119.91 1t3i s PHE 148 Ca 0.11 -1.01 -0.30 0.00 0.12 0.00 0.00 56.93 55.85 1t3i s PHE 148 Cb -0.10 -1.44 -0.08 0.00 -0.57 0.00 0.00 43.02 40.83 1t3i s PHE 148 CO 0.04 -0.59 1.24 0.08 -0.10 0.00 0.00 175.22 175.89 1t3i s VAL 149 N 1.50 3.52 0.71 -0.44 1.01 0.05 -4.78 120.40 121.98 1t3i s VAL 149 Ca 0.03 1.23 -0.06 0.00 0.00 0.00 0.00 61.98 63.18 1t3i s VAL 149 Cb -0.13 -3.78 0.08 0.00 0.00 0.00 0.00 36.38 32.55 1t3i s VAL 149 CO -0.09 0.17 1.01 0.00 0.00 0.00 0.00 175.10 176.20 1t3i s GLN 150 N 0.10 2.01 0.24 2.72 -2.07 -1.26 -2.03 119.66 119.37 1t3i s GLN 150 Ca 0.56 -0.45 -0.16 0.00 -1.82 0.00 0.00 55.36 53.49 1t3i s GLN 150 Cb -0.33 -2.20 -0.08 0.00 -1.09 0.00 0.00 33.01 29.31 1t3i s GLN 150 CO 0.35 -1.32 0.67 -0.51 -1.32 0.00 0.00 175.29 173.16 1t3i s LEU 151 N -5.24 4.22 0.00 2.60 1.43 -1.26 -2.30 118.68 118.13 1t3i s LEU 151 Ca 0.62 1.23 -0.00 0.00 -1.03 0.00 0.00 54.13 54.95 1t3i s LEU 151 Cb -0.09 -3.70 0.01 0.00 0.03 0.00 0.00 46.19 42.44 1t3i s LEU 151 CO 0.45 -0.05 0.08 -0.90 0.23 0.00 0.00 176.35 176.16 1t3i n ASP 152 N 0.26 0.08 0.10 2.29 3.85 0.93 -4.78 116.55 119.28 1t3i n ASP 152 Ca -0.01 -1.07 0.09 0.00 -0.71 0.00 0.00 54.79 53.09 1t3i n ASP 152 Cb 0.52 -0.06 0.42 0.00 -1.35 0.00 0.00 41.12 40.66 1t3i n ASP 152 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1t3i n GLU 153 N -1.16 0.12 -0.70 0.11 1.02 -1.26 -1.31 120.64 117.46 1t3i n GLU 153 Ca 0.01 0.45 0.01 0.00 -0.02 0.00 0.00 57.16 57.61 1t3i n GLU 153 Cb 0.04 -1.78 0.25 0.00 -0.02 0.00 0.00 31.44 29.93 1t3i n GLU 153 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1t3i n GLN 154 N -2.02 2.68 -3.94 3.49 3.00 -1.26 -4.95 117.38 114.38 1t3i n GLN 154 Ca 0.01 -3.01 -0.26 0.00 -0.01 0.00 0.00 57.00 53.74 1t3i n GLN 154 Cb 0.14 -1.92 -0.01 0.00 0.00 0.00 0.00 30.24 28.45 1t3i n GLN 154 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1t3i n GLU 155 N -0.68 -3.56 -4.16 -1.09 1.02 -0.43 -2.27 120.64 109.48 1t3i n GLU 155 Ca 0.30 0.43 -0.23 0.00 -0.02 0.00 0.00 57.16 57.65 1t3i n GLU 155 Cb 1.06 -4.69 -0.06 0.00 -0.02 0.00 0.00 31.44 27.73 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 -2.96 1.11 -4.68 1.62 7.64 -1.26 -4.04 113.62 111.05 1t3i n SER 156 Ca -0.27 -2.96 -0.42 0.00 1.01 0.00 0.00 58.87 56.23 1t3i n SER 156 Cb 0.66 0.96 -0.03 0.00 -1.01 0.00 0.00 64.21 64.80 1t3i n SER 156 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1t3i s PHE 157 N -2.95 1.92 -0.86 1.43 5.36 -1.26 -0.05 117.98 121.57 1t3i s PHE 157 Ca 0.20 -0.09 -0.19 0.00 -0.96 0.00 0.00 56.93 55.88 1t3i s PHE 157 Cb 0.01 -4.15 0.12 0.00 -0.34 0.00 0.00 43.02 38.66 1t3i s PHE 157 CO 0.14 -4.87 1.07 0.34 -1.46 0.00 0.00 175.22 170.44 1t3i s ASP 158 N 3.21 6.52 0.38 6.13 -1.08 -0.97 -4.66 116.67 126.20 1t3i s ASP 158 Ca 0.82 -1.82 0.05 0.00 -0.52 0.00 0.00 52.55 51.08 1t3i s ASP 158 Cb -0.43 -2.40 0.75 0.00 -1.46 0.00 0.00 42.92 39.38 1t3i s ASP 158 CO 0.37 -1.14 2.04 0.25 0.52 0.00 0.00 175.17 177.21 1t3i h LEU 159 N 10.56 0.59 -0.64 -1.34 5.85 -1.91 -1.54 115.31 126.89 1t3i h LEU 159 Ca 0.05 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1t3i h LEU 159 Cb 1.04 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1t3i h LEU 159 CO 1.12 0.43 0.07 -0.33 -0.34 0.00 0.00 178.44 179.40 1t3i h GLU 160 N 0.70 1.07 -0.49 1.25 4.39 -1.99 -1.85 114.58 117.67 1t3i h GLU 160 Ca 0.19 -0.30 -0.11 0.00 0.34 0.00 0.00 59.36 59.47 1t3i h GLU 160 Cb -0.08 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 1t3i h GLU 160 CO -0.04 1.01 -0.13 1.25 -1.16 0.00 0.00 179.01 179.93 1t3i h HIS 161 N 0.98 1.04 -0.68 4.33 2.76 -1.79 -2.78 115.15 119.01 1t3i h HIS 161 Ca 0.19 -0.22 0.06 0.00 -2.20 0.00 0.00 60.37 58.20 1t3i h HIS 161 Cb 0.47 -0.26 -0.05 0.00 1.55 0.00 0.00 27.41 29.12 1t3i h HIS 161 CO 0.04 1.00 0.39 0.35 -1.30 0.00 0.00 177.93 178.40 1t3i h PHE 162 N 0.83 0.71 -0.40 5.26 3.57 -0.97 -1.34 116.94 124.59 1t3i h PHE 162 Ca 0.13 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1t3i h PHE 162 Cb 0.67 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1t3i h PHE 162 CO 0.04 0.35 0.24 0.87 -2.23 0.00 0.00 178.31 177.58 1t3i h LYS 163 N 0.72 0.54 0.00 1.11 1.57 -1.07 -1.56 116.57 117.87 1t3i h LYS 163 Ca 0.30 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1t3i h LYS 163 Cb 0.18 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1t3i h LYS 163 CO -0.18 0.38 0.00 1.79 -0.57 0.00 0.00 179.45 180.88 1t3i h THR 164 N 0.55 0.00 0.00 -0.16 1.35 -1.07 -3.10 112.91 110.49 1t3i h THR 164 Ca 0.15 -0.62 -0.14 0.00 -0.55 0.00 0.00 66.41 65.24 1t3i h THR 164 Cb -0.02 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 67.98 1t3i h THR 164 CO -0.03 0.00 -0.96 -0.07 -0.25 0.00 0.00 175.52 174.21 1t3i h LEU 165 N 0.00 0.00 -9.86 3.87 3.38 -0.95 -3.46 115.31 108.28 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 0.64 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.48 1t3i h LEU 165 CO 0.00 0.58 0.80 -0.76 0.09 0.00 0.00 178.44 179.15 1t3i s LEU 166 N -6.18 4.35 0.36 1.67 1.43 -1.11 -4.92 118.68 114.28 1t3i s LEU 166 Ca 0.01 2.93 -0.10 0.00 -1.03 0.00 0.00 54.13 55.94 1t3i s LEU 166 Cb 0.08 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.68 1t3i s LEU 166 CO 0.78 -0.83 0.63 -0.94 0.23 0.00 0.00 176.35 176.22 1t3i s SER 167 N 0.10 0.42 0.19 2.29 1.04 -1.26 -5.00 113.70 111.48 1t3i s SER 167 Ca 0.57 -1.28 0.17 0.00 0.48 0.00 0.00 55.95 55.89 1t3i s SER 167 Cb -0.46 0.75 0.80 0.00 0.10 0.00 0.00 66.02 67.21 1t3i s SER 167 CO 0.54 -1.48 1.51 -1.84 0.98 0.00 0.00 173.24 172.96 1t3i n GLU 168 N -0.54 0.11 0.00 4.02 0.00 -1.26 -1.92 120.64 121.04 1t3i n GLU 168 Ca -0.04 0.49 0.11 0.00 0.00 0.00 0.00 57.16 57.72 1t3i n GLU 168 Cb 0.61 -1.77 0.04 0.00 0.00 0.00 0.00 31.44 30.32 1t3i n GLU 168 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1t3i n LYS 169 N -1.98 0.36 -1.89 3.44 5.02 -1.26 -4.91 118.16 116.93 1t3i n LYS 169 Ca 0.01 -0.27 -0.43 0.00 -2.02 0.00 0.00 58.31 55.59 1t3i n LYS 169 Cb 0.10 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 1t3i n LYS 169 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1t3i s THR 170 N -2.83 3.37 -0.03 -0.18 2.01 -0.81 -0.77 115.64 116.41 1t3i s THR 170 Ca 0.13 0.40 0.10 0.00 0.31 0.00 0.00 61.69 62.63 1t3i s THR 170 Cb 0.17 -3.42 -0.15 0.00 0.01 0.00 0.00 72.50 69.11 1t3i s THR 170 CO 0.73 -0.21 0.19 0.29 -0.69 0.00 0.00 174.62 174.92 1t3i n LYS 171 N 8.14 0.71 -3.78 4.92 4.76 -0.42 -3.93 118.16 128.57 1t3i n LYS 171 Ca 0.23 -0.08 -0.13 0.00 -2.87 0.00 0.00 58.31 55.47 1t3i n LYS 171 Cb 0.45 -1.24 -0.12 0.00 -1.84 0.00 0.00 35.03 32.28 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 -3.89 0.96 -0.16 -0.35 2.96 -1.13 -1.52 118.68 115.55 1t3i s LEU 172 Ca -0.04 0.48 0.00 0.00 -0.22 0.00 0.00 54.13 54.36 1t3i s LEU 172 Cb 0.06 0.79 0.03 0.00 0.50 0.00 0.00 46.19 47.56 1t3i s LEU 172 CO 0.41 -0.10 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.54 1t3i s VAL 173 N 0.37 1.47 -0.15 1.68 1.01 -0.04 -0.30 120.40 124.44 1t3i s VAL 173 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1t3i s VAL 173 Cb -0.04 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.89 1t3i s VAL 173 CO -0.02 0.31 -0.14 0.28 0.00 0.00 0.00 175.10 175.54 1t3i s THR 174 N 1.50 1.58 0.04 3.92 -1.32 0.11 -0.93 115.64 120.53 1t3i s THR 174 Ca 0.02 -0.65 0.00 0.00 -1.21 0.00 0.00 61.69 59.85 1t3i s THR 174 Cb -0.14 -1.49 -0.03 0.00 -1.51 0.00 0.00 72.50 69.33 1t3i s THR 174 CO -0.09 0.45 -0.04 0.68 -2.21 0.00 0.00 174.62 173.40 1t3i s VAL 175 N 1.48 0.26 0.30 5.08 -7.23 -0.50 -4.15 120.40 115.64 1t3i s VAL 175 Ca 0.05 -1.18 -0.28 0.00 -1.81 0.00 0.00 61.98 58.76 1t3i s VAL 175 Cb -0.13 -0.66 -0.09 0.00 0.56 0.00 0.00 36.38 36.06 1t3i s VAL 175 CO -0.11 -0.59 1.00 0.54 -0.31 0.00 0.00 175.10 175.63 1t3i s VAL 176 N -2.04 3.92 -0.07 1.32 0.11 -1.26 -0.72 120.40 121.66 1t3i s VAL 176 Ca -0.09 1.75 -0.16 0.00 -2.93 0.00 0.00 61.98 60.55 1t3i s VAL 176 Cb -0.06 -4.04 -0.12 0.00 -1.53 0.00 0.00 36.38 30.64 1t3i s VAL 176 CO -0.03 0.28 0.59 -0.74 -3.33 0.00 0.00 175.10 171.87 1t3i h HIS 177 N 3.50 -0.18 -3.21 1.54 2.76 -1.22 -3.42 115.15 114.92 1t3i h HIS 177 Ca -0.46 -0.00 -0.54 0.00 -2.20 0.00 0.00 60.37 57.16 1t3i h HIS 177 Cb 1.20 0.06 -0.36 0.00 1.55 0.00 0.00 27.41 29.86 1t3i h HIS 177 CO 0.60 0.17 -0.81 0.42 -1.30 0.00 0.00 177.93 177.01 1t3i s ILE 178 N -2.76 1.15 0.26 6.26 1.01 -1.26 -0.21 121.20 125.64 1t3i s ILE 178 Ca -0.09 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 59.88 1t3i s ILE 178 Cb -0.00 -1.12 -0.10 0.00 0.01 0.00 0.00 42.46 41.25 1t3i s ILE 178 CO 0.34 0.38 1.38 -0.55 0.00 0.00 0.00 174.94 176.49 1t3i s SER 179 N 1.49 6.72 0.00 3.58 0.15 -0.85 -4.41 113.70 120.38 1t3i s SER 179 Ca 0.02 2.63 0.30 0.00 0.70 0.00 0.00 55.95 59.59 1t3i s SER 179 Cb -0.13 -2.63 1.48 0.00 -1.71 0.00 0.00 66.02 63.03 1t3i s SER 179 CO -0.07 -0.63 2.04 -0.46 1.20 0.00 0.00 173.24 175.32 1t3i n ASN 180 N 2.00 0.00 -0.02 5.45 6.94 -1.26 -1.52 115.26 126.85 1t3i n ASN 180 Ca 0.05 -0.05 -0.06 0.00 -0.02 0.00 0.00 54.58 54.50 1t3i n ASN 180 Cb 0.41 -0.32 -0.02 0.00 -2.36 0.00 0.00 39.78 37.49 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 -1.32 0.91 0.09 5.53 -1.04 -1.26 -4.76 114.28 112.43 1t3i n THR 181 Ca 0.13 0.10 -0.05 0.00 -2.04 0.00 0.00 64.05 62.19 1t3i n THR 181 Cb 0.26 -1.73 -0.02 0.00 -1.82 0.00 0.00 70.33 67.01 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 -0.33 0.00 0.00 -4.42 3.38 -1.86 -3.37 115.31 108.72 1t3i h LEU 182 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1t3i h LEU 182 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1t3i h LEU 182 CO -0.07 0.85 0.00 0.61 0.09 0.00 0.00 178.44 179.92 1t3i n GLY 183 N 1.03 0.73 3.77 0.83 0.00 -0.58 -4.18 105.19 106.79 1t3i n GLY 183 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.56 5.21 0.30 0.00 1.01 -1.26 -2.02 120.40 122.09 1t3i s VAL 185 Ca 0.59 -0.50 -0.27 0.00 0.00 0.00 0.00 61.98 61.79 1t3i s VAL 185 Cb -0.26 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.09 1t3i s VAL 185 CO 0.33 -0.31 0.98 0.20 0.00 0.00 0.00 175.10 176.30 1t3i s ASN 186 N 1.72 7.35 -0.94 3.32 0.01 0.70 -4.88 114.94 122.22 1t3i s ASN 186 Ca 0.07 1.96 -0.21 0.00 -0.71 0.00 0.00 52.86 53.97 1t3i s ASN 186 Cb -0.18 -2.60 -0.12 0.00 0.41 0.00 0.00 41.25 38.77 1t3i s ASN 186 CO 0.11 -0.06 1.95 -0.81 -1.51 0.00 0.00 177.10 176.78 1t3i n PRO 187 N 0.85 1.74 -0.19 -0.60 -0.04 -1.26 -4.77 135.00 130.73 1t3i n PRO 187 Ca 0.01 -2.10 -0.01 0.00 -0.04 0.00 0.00 63.50 61.36 1t3i n PRO 187 Cb 0.48 -3.13 0.09 0.00 -0.04 0.00 0.00 33.50 30.91 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 8.01 0.72 -0.36 0.55 0.00 -1.91 0.07 119.26 126.34 1t3i h ALA 188 Ca 0.40 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 1t3i h ALA 188 Cb 0.72 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1t3i h ALA 188 CO 1.80 -0.21 0.21 1.49 0.00 0.00 0.00 179.25 182.54 1t3i h GLU 189 N 0.37 0.49 -0.21 0.00 4.81 -1.86 -0.17 114.58 118.00 1t3i h GLU 189 Ca 0.29 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.31 1t3i h GLU 189 Cb 0.35 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1t3i h GLU 189 CO -0.30 0.38 -0.53 1.49 -0.73 0.00 0.00 179.01 179.32 1t3i h GLU 190 N 0.47 0.61 -0.66 1.92 4.81 -1.82 -1.75 114.58 118.17 1t3i h GLU 190 Ca 0.13 -0.37 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1t3i h GLU 190 Cb 0.01 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1t3i h GLU 190 CO -0.02 0.99 0.39 0.82 -0.73 0.00 0.00 179.01 180.46 1t3i h ILE 191 N 0.47 1.19 -0.40 2.32 2.04 -0.78 -0.90 117.51 121.46 1t3i h ILE 191 Ca 0.01 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 1t3i h ILE 191 Cb 1.07 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1t3i h ILE 191 CO 0.10 0.20 0.08 0.00 0.00 0.00 0.00 178.15 178.54 1t3i h ALA 192 N 1.20 0.53 -0.48 1.87 0.00 -0.88 0.34 119.26 121.84 1t3i h ALA 192 Ca 0.24 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1t3i h ALA 192 Cb -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1t3i h ALA 192 CO -0.04 0.22 0.29 0.37 0.00 0.00 0.00 179.25 180.09 1t3i h GLN 193 N 0.51 0.57 -0.34 0.00 -0.00 -1.01 -0.02 115.11 114.81 1t3i h GLN 193 Ca 0.12 -0.03 -0.09 0.00 -0.00 0.00 0.00 58.65 58.65 1t3i h GLN 193 Cb 0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 27.68 1t3i h GLN 193 CO 0.00 0.38 -0.14 -0.07 0.00 0.00 0.00 178.83 179.00 1t3i h LEU 194 N 0.59 0.71 -0.52 -2.39 3.38 -1.00 -2.23 115.31 113.84 1t3i h LEU 194 Ca 0.19 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1t3i h LEU 194 Cb -0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1t3i h LEU 194 CO -0.08 0.95 0.27 0.00 0.09 0.00 0.00 178.44 179.67 1t3i h ALA 195 N 0.79 0.67 -0.73 1.53 0.00 -0.70 -2.25 119.26 118.57 1t3i h ALA 195 Ca 0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1t3i h ALA 195 Cb 0.67 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1t3i h ALA 195 CO 0.05 0.22 0.27 0.45 0.00 0.00 0.00 179.25 180.23 1t3i h HIS 196 N 0.70 1.13 0.00 0.00 3.86 -0.98 -0.46 115.15 119.40 1t3i h HIS 196 Ca 0.18 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1t3i h HIS 196 Cb 0.08 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.22 1t3i h HIS 196 CO -0.01 0.87 -0.09 1.96 0.86 0.00 0.00 177.93 181.53 1t3i h GLN 197 N 1.05 0.00 -0.00 2.45 4.20 -1.14 0.11 115.11 121.78 1t3i h GLN 197 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1t3i h GLN 197 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1t3i h GLN 197 CO -0.02 0.09 -0.14 0.00 -0.67 0.00 0.00 178.83 178.09 1t3i n ALA 198 N -2.43 2.82 -0.75 3.87 0.00 -0.49 -4.93 120.51 118.61 1t3i n ALA 198 Ca -0.03 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1t3i n ALA 198 Cb 0.17 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 1.30 0.54 3.80 0.00 0.00 0.40 -4.82 105.19 106.41 1t3i n GLY 199 Ca 0.13 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 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 3.56 0.37 4.61 0.00 -0.30 -4.80 121.76 123.20 1t3i s ALA 200 Ca 0.00 -1.52 0.01 0.00 0.00 0.00 0.00 51.96 50.45 1t3i s ALA 200 Cb 0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 1t3i s ALA 200 CO 0.00 0.20 0.57 0.15 0.00 0.00 0.00 175.76 176.68 1t3i s LYS 201 N -3.85 3.34 -0.05 0.00 -0.14 -0.57 -3.87 119.74 114.59 1t3i s LYS 201 Ca 0.34 -0.44 0.01 0.00 -1.36 0.00 0.00 55.97 54.52 1t3i s LYS 201 Cb -0.07 -2.65 0.02 0.00 -1.68 0.00 0.00 37.83 33.45 1t3i s LYS 201 CO 0.24 0.03 -0.05 0.08 -0.76 0.00 0.00 175.35 174.90 1t3i s VAL 202 N -2.36 0.57 -0.09 3.17 1.01 -1.26 -0.86 120.40 120.57 1t3i s VAL 202 Ca 0.42 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.29 1t3i s VAL 202 Cb -0.10 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 1t3i s VAL 202 CO 0.36 0.24 -0.12 -0.22 0.00 0.00 0.00 175.10 175.36 1t3i s LEU 203 N 1.00 2.81 -0.15 3.92 0.20 -0.11 -0.72 118.68 125.63 1t3i s LEU 203 Ca -0.10 -0.22 0.01 0.00 0.69 0.00 0.00 54.13 54.51 1t3i s LEU 203 Cb -0.14 -1.61 0.00 0.00 -0.43 0.00 0.00 46.19 44.02 1t3i s LEU 203 CO -0.00 0.26 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.45 1t3i s VAL 204 N -0.23 2.36 -0.63 1.68 1.01 -0.32 -1.41 120.40 122.87 1t3i s VAL 204 Ca 0.01 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 60.90 1t3i s VAL 204 Cb -0.13 -1.98 0.07 0.00 0.00 0.00 0.00 36.38 34.34 1t3i s VAL 204 CO 0.03 0.53 0.91 -0.62 0.00 0.00 0.00 175.10 175.95 1t3i s ASP 205 N 0.86 6.20 -0.38 3.32 -1.08 0.10 -1.88 116.67 123.80 1t3i s ASP 205 Ca -0.05 -0.96 0.07 0.00 -0.52 0.00 0.00 52.55 51.09 1t3i s ASP 205 Cb -0.15 -2.40 0.68 0.00 -1.46 0.00 0.00 42.92 39.59 1t3i s ASP 205 CO -0.02 -1.35 1.82 0.00 0.52 0.00 0.00 175.17 176.15 1t3i n ALA 206 N 7.43 5.03 -0.15 3.66 0.00 -0.42 -0.63 120.51 135.43 1t3i n ALA 206 Ca -0.04 -2.70 0.06 0.00 0.00 0.00 0.00 53.44 50.76 1t3i n ALA 206 Cb 0.45 -1.29 0.37 0.00 0.00 0.00 0.00 19.45 18.98 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 -4.47 0.13 -0.11 0.00 1.13 -1.26 -4.36 117.38 108.43 1t3i n GLN 208 Ca 0.09 -0.09 -0.18 0.00 -1.94 0.00 0.00 57.00 54.88 1t3i n GLN 208 Cb 0.19 -1.50 -0.13 0.00 0.11 0.00 0.00 30.24 28.91 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 -1.35 1.81 -0.33 1.08 3.41 -0.94 -4.33 113.62 112.97 1t3i n SER 209 Ca 0.06 -0.09 0.15 0.00 -0.26 0.00 0.00 58.87 58.72 1t3i n SER 209 Cb 0.34 -0.33 0.37 0.00 -0.26 0.00 0.00 64.21 64.34 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 0.10 1.82 0.00 7.33 0.00 -1.20 0.55 119.26 127.87 1t3i h ALA 210 Ca -0.56 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1t3i h ALA 210 Cb 1.94 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1t3i h ALA 210 CO -0.06 -0.17 -0.15 -1.35 0.00 0.00 0.00 179.25 177.51 1t3i h PRO 211 N 0.67 0.00 0.00 0.00 0.11 -1.79 -3.40 132.00 127.60 1t3i h PRO 211 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1t3i h PRO 211 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1t3i h PRO 211 CO -0.33 0.00 -0.73 0.72 -0.21 0.00 0.00 178.00 177.45 1t3i n HIS 212 N -2.99 0.00 -4.67 0.65 8.25 -0.68 -4.97 115.22 110.82 1t3i n HIS 212 Ca 0.03 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.25 1t3i n HIS 212 Cb 0.53 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.47 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 -1.56 1.52 0.08 4.41 6.14 0.19 -3.78 117.35 124.34 1t3i s TYR 213 Ca 0.00 -0.50 -0.34 0.00 0.64 0.00 0.00 57.07 56.86 1t3i s TYR 213 Cb 0.00 -1.07 -0.13 0.00 0.42 0.00 0.00 41.96 41.17 1t3i s TYR 213 CO 0.00 -0.22 1.65 -2.30 0.64 0.00 0.00 175.55 175.32 1t3i n PRO 214 N 3.52 2.07 -4.61 4.97 -0.02 -1.26 -4.44 135.00 135.24 1t3i n PRO 214 Ca -0.21 0.75 -0.34 0.00 -2.02 0.00 0.00 63.50 61.69 1t3i n PRO 214 Cb 0.52 -2.53 -0.12 0.00 -0.02 0.00 0.00 33.50 31.35 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 1.82 3.10 -0.33 2.45 1.43 -1.26 -5.06 118.68 120.82 1t3i s LEU 215 Ca 0.83 -0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.82 1t3i s LEU 215 Cb -0.71 -1.69 0.12 0.00 0.03 0.00 0.00 46.19 43.95 1t3i s LEU 215 CO 0.43 0.29 0.18 -0.62 0.23 0.00 0.00 176.35 176.86 1t3i s ASP 216 N -0.38 3.23 0.49 2.29 -1.08 -1.25 -4.10 116.67 115.86 1t3i s ASP 216 Ca 0.05 -1.87 0.33 0.00 -0.52 0.00 0.00 52.55 50.54 1t3i s ASP 216 Cb -0.12 -0.42 1.58 0.00 -1.46 0.00 0.00 42.92 42.50 1t3i s ASP 216 CO 0.02 -0.36 1.99 -0.37 0.52 0.00 0.00 175.17 176.98 1t3i h VAL 217 N 5.56 0.00 0.14 1.11 -1.51 -1.23 -1.09 116.25 119.22 1t3i h VAL 217 Ca -0.04 -0.22 -0.28 0.00 -1.23 0.00 0.00 66.70 64.93 1t3i h VAL 217 Cb 0.98 1.08 0.01 0.00 -2.13 0.00 0.00 31.29 31.23 1t3i h VAL 217 CO 0.34 0.00 -1.26 1.56 -1.23 0.00 0.00 177.57 176.98 1t3i h GLN 218 N 0.00 0.29 -0.08 5.19 4.20 -1.80 0.22 115.11 123.13 1t3i h GLN 218 Ca 0.00 -0.49 -0.10 0.00 0.06 0.00 0.00 58.65 58.12 1t3i h GLN 218 Cb 0.24 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1t3i h GLN 218 CO 0.00 1.23 -0.33 1.25 -0.67 0.00 0.00 178.83 180.32 1t3i h LEU 219 N 0.08 0.43 -0.97 1.46 5.85 -1.75 -3.17 115.31 117.24 1t3i h LEU 219 Ca -0.14 -0.63 -0.10 0.00 0.84 0.00 0.00 57.88 57.84 1t3i h LEU 219 Cb 1.99 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 1t3i h LEU 219 CO 0.21 0.99 -0.37 0.40 -0.34 0.00 0.00 178.44 179.33 1t3i h ILE 220 N -0.10 1.29 -4.84 4.05 2.04 -1.32 -3.47 117.51 115.17 1t3i h ILE 220 Ca -0.02 -1.43 -0.41 0.00 1.00 0.00 0.00 64.86 64.01 1t3i h ILE 220 Cb 0.97 1.60 0.08 0.00 -0.74 0.00 0.00 36.82 38.73 1t3i h ILE 220 CO 0.07 0.43 -0.63 -0.67 0.00 0.00 0.00 178.15 177.35 1t3i n ASP 221 N -4.06 -6.25 -4.81 1.72 2.03 0.07 -4.36 116.55 100.89 1t3i n ASP 221 Ca -0.01 -0.36 -0.33 0.00 0.52 0.00 0.00 54.79 54.61 1t3i n ASP 221 Cb 0.45 -5.01 -0.05 0.00 -0.72 0.00 0.00 41.12 35.80 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 1.50 0.26 -5.06 0.00 5.19 -1.30 -3.44 116.42 113.57 1t3i h ASP 223 Ca -0.49 -0.29 -0.14 0.00 -0.62 0.00 0.00 57.03 55.50 1t3i h ASP 223 Cb 1.20 -0.09 -0.19 0.00 0.18 0.00 0.00 39.33 40.44 1t3i h ASP 223 CO 0.60 1.22 -0.60 0.26 -3.12 0.00 0.00 179.24 177.60 1t3i s TRP 224 N -2.67 0.25 -0.09 4.55 0.51 -0.85 -1.60 118.94 119.04 1t3i s TRP 224 Ca -0.02 -0.55 -0.09 0.00 -2.12 0.00 0.00 56.10 53.31 1t3i s TRP 224 Cb 0.08 -0.18 0.02 0.00 -0.81 0.00 0.00 33.47 32.58 1t3i s TRP 224 CO 0.86 -0.30 0.25 -1.17 -0.51 0.00 0.00 176.95 176.08 1t3i s LEU 225 N -1.93 1.04 0.15 2.99 0.20 -0.56 -1.17 118.68 119.40 1t3i s LEU 225 Ca -0.08 0.47 0.08 0.00 0.69 0.00 0.00 54.13 55.29 1t3i s LEU 225 Cb -0.04 0.88 -0.04 0.00 -0.43 0.00 0.00 46.19 46.56 1t3i s LEU 225 CO -0.03 -0.11 -0.17 0.68 -0.29 0.00 0.00 176.35 176.42 1t3i s VAL 226 N 0.02 1.67 0.06 1.68 -7.23 -0.79 -0.09 120.40 115.73 1t3i s VAL 226 Ca -0.01 -1.82 -0.23 0.00 -1.81 0.00 0.00 61.98 58.12 1t3i s VAL 226 Cb -0.02 -1.72 0.05 0.00 0.56 0.00 0.00 36.38 35.25 1t3i s VAL 226 CO 0.01 -0.31 0.53 0.00 -0.31 0.00 0.00 175.10 175.02 1t3i s ALA 227 N -1.96 -1.36 -0.14 1.32 0.00 -0.97 -1.31 121.76 117.33 1t3i s ALA 227 Ca 0.13 0.58 -0.01 0.00 0.00 0.00 0.00 51.96 52.66 1t3i s ALA 227 Cb -0.06 0.45 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 1t3i s ALA 227 CO 0.05 -0.54 -0.09 -1.12 0.00 0.00 0.00 175.76 174.06 1t3i s SER 228 N -2.09 4.33 0.36 0.00 0.01 -1.26 -1.82 113.70 113.23 1t3i s SER 228 Ca -0.04 -0.24 0.09 0.00 1.31 0.00 0.00 55.95 57.07 1t3i s SER 228 Cb -0.00 -1.66 0.69 0.00 0.21 0.00 0.00 66.02 65.26 1t3i s SER 228 CO -0.03 0.18 1.85 1.23 0.41 0.00 0.00 173.24 176.87 1t3i h GLY 229 N 6.64 0.22 2.00 3.44 0.00 -1.31 -3.00 103.07 111.06 1t3i h GLY 229 Ca -0.29 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1t3i h GLY 229 CO 0.58 0.15 0.00 1.12 0.00 0.00 0.00 176.54 178.39 1t3i h HIS 230 N 0.19 0.00 -0.00 5.60 2.07 -1.66 -0.61 115.15 120.74 1t3i h HIS 230 Ca 0.03 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.55 1t3i h HIS 230 Cb 0.53 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.51 1t3i h HIS 230 CO 0.01 0.00 -0.63 1.63 -3.07 0.00 0.00 177.93 175.87 1t3i n LYS 231 N -2.74 0.13 -2.38 5.12 5.02 -1.13 -1.59 118.16 120.59 1t3i n LYS 231 Ca -0.01 -0.09 -0.25 0.00 -2.02 0.00 0.00 58.31 55.94 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 -1.36 3.39 -1.18 1.97 0.00 -0.50 -4.48 117.12 114.96 1t3i n MET 232 Ca 0.06 -4.38 -0.06 0.00 0.00 0.00 0.00 57.70 53.32 1t3i n MET 232 Cb 0.34 -2.22 -0.03 0.00 0.00 0.00 0.00 33.22 31.31 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 -1.84 4.06 0.89 0.00 0.00 -0.36 -4.61 121.76 119.90 1t3i s ALA 234 Ca 0.00 -1.80 -0.11 0.00 0.00 0.00 0.00 51.96 50.05 1t3i s ALA 234 Cb 0.00 -1.13 0.13 0.00 0.00 0.00 0.00 23.12 22.12 1t3i s ALA 234 CO 0.00 -0.17 1.10 -1.25 0.00 0.00 0.00 175.76 175.43 1t3i s PRO 235 N -4.12 1.26 0.74 0.00 0.04 -1.26 -3.82 135.00 127.83 1t3i s PRO 235 Ca 0.47 1.06 -0.11 0.00 0.04 0.00 0.00 61.00 62.46 1t3i s PRO 235 Cb -0.05 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.74 1t3i s PRO 235 CO 0.28 -2.30 1.07 0.95 0.04 0.00 0.00 177.00 177.04 1t3i s THR 236 N -2.82 3.67 0.00 1.26 -4.23 -1.26 -3.54 115.64 108.72 1t3i s THR 236 Ca 0.64 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.69 1t3i s THR 236 Cb -0.19 -3.24 0.00 0.00 1.34 0.00 0.00 72.50 70.41 1t3i s THR 236 CO 0.58 -0.71 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 1t3i n GLY 237 N -1.86 0.72 2.86 3.99 0.00 -1.25 -4.98 105.19 104.67 1t3i n GLY 237 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.49 -0.01 0.14 -0.61 2.07 -0.29 -4.41 121.20 115.60 1t3i s ILE 238 Ca 0.00 0.04 -0.04 0.00 -1.41 0.00 0.00 60.65 59.23 1t3i s ILE 238 Cb 0.00 -0.03 0.02 0.00 0.13 0.00 0.00 42.46 42.58 1t3i s ILE 238 CO 0.00 0.01 0.26 0.61 -1.91 0.00 0.00 174.94 173.92 1t3i n GLY 239 N 3.26 1.95 3.36 1.50 0.00 0.12 -0.92 105.19 114.46 1t3i n GLY 239 Ca -0.15 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 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 -5.81 -0.35 -0.07 1.61 -0.12 -0.76 -1.50 117.98 111.00 1t3i s PHE 240 Ca 0.07 0.12 0.05 0.00 -0.05 0.00 0.00 56.93 57.12 1t3i s PHE 240 Cb -0.01 0.37 -0.01 0.00 -0.63 0.00 0.00 43.02 42.73 1t3i s PHE 240 CO 0.05 -0.74 -0.22 -1.17 -0.05 0.00 0.00 175.22 173.10 1t3i s LEU 241 N -2.65 2.27 -0.08 -1.99 2.96 0.57 -2.30 118.68 117.45 1t3i s LEU 241 Ca 0.01 -0.44 -0.00 0.00 -0.22 0.00 0.00 54.13 53.48 1t3i s LEU 241 Cb 0.01 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 1t3i s LEU 241 CO -0.11 0.25 -0.06 -0.47 -1.32 0.00 0.00 176.35 174.64 1t3i s TYR 242 N -0.16 2.98 -0.15 5.38 5.04 0.87 -0.49 117.35 130.81 1t3i s TYR 242 Ca -0.03 0.01 -0.11 0.00 -2.44 0.00 0.00 57.07 54.50 1t3i s TYR 242 Cb -0.14 -1.75 0.05 0.00 0.35 0.00 0.00 41.96 40.47 1t3i s TYR 242 CO 0.04 0.31 0.38 0.20 -1.34 0.00 0.00 175.55 175.14 1t3i s GLY 243 N -0.68 -0.29 0.17 8.97 0.00 -0.18 -1.49 107.32 113.81 1t3i s GLY 243 Ca 0.10 1.29 -0.34 0.00 0.00 0.00 0.00 44.72 45.78 1t3i s GLY 243 CO 0.02 1.32 1.54 0.28 0.00 0.00 0.00 173.10 176.25 1t3i n LYS 244 N 3.65 2.08 -0.29 2.90 5.02 -0.62 -4.55 118.16 126.35 1t3i n LYS 244 Ca -0.19 0.75 0.11 0.00 -2.02 0.00 0.00 58.31 56.96 1t3i n LYS 244 Cb 0.56 -2.49 0.26 0.00 -0.02 0.00 0.00 35.03 33.34 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 5.56 0.22 -0.72 1.97 4.81 -1.92 0.08 114.58 124.58 1t3i h GLU 245 Ca -0.45 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.78 1t3i h GLU 245 Cb 1.26 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 1t3i h GLU 245 CO 0.86 0.15 0.48 0.93 -0.73 0.00 0.00 179.01 180.70 1t3i h GLU 246 N 0.23 0.93 -0.07 1.92 5.08 -1.99 0.81 114.58 121.49 1t3i h GLU 246 Ca 0.52 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.63 1t3i h GLU 246 Cb 1.00 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 30.05 1t3i h GLU 246 CO -0.62 0.62 -0.69 0.82 -1.00 0.00 0.00 179.01 178.14 1t3i h ILE 247 N 0.96 1.34 -0.15 3.13 2.04 -1.36 -2.78 117.51 120.70 1t3i h ILE 247 Ca 0.27 -1.99 -0.08 0.00 1.00 0.00 0.00 64.86 64.06 1t3i h ILE 247 Cb -0.07 2.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 1t3i h ILE 247 CO -0.06 0.61 -0.24 -0.07 0.00 0.00 0.00 178.15 178.38 1t3i h LEU 248 N 0.21 0.26 -0.80 1.44 3.38 -1.02 -1.27 115.31 117.50 1t3i h LEU 248 Ca -0.07 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 1t3i h LEU 248 Cb 1.35 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 1t3i h LEU 248 CO 0.14 0.51 -0.03 -0.08 0.09 0.00 0.00 178.44 179.08 1t3i h GLU 249 N 0.24 0.88 0.00 1.13 4.57 -0.82 -3.03 114.58 117.55 1t3i h GLU 249 Ca 0.04 -0.26 -0.13 0.00 -1.18 0.00 0.00 59.36 57.83 1t3i h GLU 249 Cb 0.57 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 1t3i h GLU 249 CO 0.04 0.89 -0.69 0.00 -1.18 0.00 0.00 179.01 178.07 1t3i h ALA 250 N 1.16 0.63 -2.74 2.92 0.00 -1.18 -3.46 119.26 116.59 1t3i h ALA 250 Ca 0.15 -0.57 -0.52 0.00 0.00 0.00 0.00 54.91 53.97 1t3i h ALA 250 Cb 0.52 -0.04 0.04 0.00 0.00 0.00 0.00 17.79 18.32 1t3i h ALA 250 CO 0.03 0.74 0.66 -1.64 0.00 0.00 0.00 179.25 179.04 1t3i s MET 251 N -2.93 4.37 0.54 0.00 -1.94 -0.51 -5.00 119.30 113.83 1t3i s MET 251 Ca 0.03 2.13 -0.18 0.00 -1.71 0.00 0.00 55.69 55.96 1t3i s MET 251 Cb 0.08 -3.15 -0.06 0.00 2.01 0.00 0.00 34.83 33.71 1t3i s MET 251 CO 0.76 -0.26 1.04 -1.25 -0.01 0.00 0.00 175.02 175.31 1t3i s PRO 252 N -0.54 3.59 0.76 2.03 0.04 -1.26 -4.96 135.00 134.65 1t3i s PRO 252 Ca 0.55 1.25 -0.15 0.00 0.04 0.00 0.00 61.00 62.69 1t3i s PRO 252 Cb -0.38 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.11 1t3i s PRO 252 CO 0.42 -0.59 0.93 -0.35 0.04 0.00 0.00 177.00 177.45 1t3i n PRO 253 N -1.52 0.36 0.00 0.56 -0.04 -1.26 -4.81 135.00 128.28 1t3i n PRO 253 Ca 0.09 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1t3i n PRO 253 Cb 0.53 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 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 -2.75 0.00 -2.61 0.54 7.35 -1.26 -4.93 117.46 113.80 1t3i n PHE 254 Ca 0.12 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.44 1t3i n PHE 254 Cb 0.50 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.28 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 0.00 3.42 0.13 -5.13 2.99 -1.26 -5.05 117.98 113.07 1t3i s PHE 255 Ca 0.00 1.69 0.09 0.00 0.00 0.00 0.00 56.93 58.71 1t3i s PHE 255 Cb 0.00 -3.07 -0.04 0.00 0.00 0.00 0.00 43.02 39.91 1t3i s PHE 255 CO 0.00 -0.36 -0.19 0.20 -0.00 0.00 0.00 175.22 174.87 1t3i s GLY 256 N -1.54 1.69 0.00 4.36 0.00 -1.26 -4.71 107.32 105.86 1t3i s GLY 256 Ca 0.54 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.87 1t3i s GLY 256 CO 0.27 -1.38 0.00 0.61 0.00 0.00 0.00 173.10 172.60 1t3i n GLY 257 N 0.71 0.17 3.70 0.20 0.00 -1.26 -4.88 105.19 103.83 1t3i n GLY 257 Ca -0.15 -1.50 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 1t3i n GLY 257 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t3i s GLY 258 N 0.00 1.70 0.00 -0.02 0.00 -1.26 -3.46 107.32 104.28 1t3i s GLY 258 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 44.72 45.24 1t3i s GLY 258 CO 0.00 0.92 0.00 1.18 0.00 0.00 0.00 173.10 175.20 1t3i n GLU 259 N -4.04 0.00 0.00 2.90 -0.58 -1.26 -0.46 120.64 117.20 1t3i n GLU 259 Ca 0.11 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.98 1t3i n GLU 259 Cb 0.52 -0.59 0.27 0.00 -0.57 0.00 0.00 31.44 31.07 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 0.00 1.48 -3.06 3.49 0.00 -1.22 -4.81 117.12 113.00 1t3i n MET 260 Ca 0.00 -1.06 -0.18 0.00 0.00 0.00 0.00 57.70 56.46 1t3i n MET 260 Cb 0.00 -1.48 0.01 0.00 0.00 0.00 0.00 33.22 31.75 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 -2.25 3.24 -0.16 3.17 -5.25 -1.25 -0.24 121.20 118.46 1t3i s ILE 261 Ca 0.28 -0.93 -0.07 0.00 -0.99 0.00 0.00 60.65 58.93 1t3i s ILE 261 Cb 0.20 -3.11 -0.07 0.00 2.95 0.00 0.00 42.46 42.42 1t3i s ILE 261 CO 0.43 -0.05 -0.20 0.00 -1.79 0.00 0.00 174.94 173.33 1t3i n ALA 262 N -1.88 1.96 -3.08 2.27 0.00 0.80 -3.99 120.51 116.60 1t3i n ALA 262 Ca 0.06 -0.63 -0.11 0.00 0.00 0.00 0.00 53.44 52.76 1t3i n ALA 262 Cb 0.59 0.29 -0.10 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 0.43 -0.05 0.00 2.02 -1.22 -4.99 118.70 112.59 1t3i s GLU 263 Ca -0.22 -0.41 0.02 0.00 0.02 0.00 0.00 54.97 54.38 1t3i s GLU 263 Cb 0.08 0.18 0.02 0.00 0.10 0.00 0.00 34.13 34.50 1t3i s GLU 263 CO 0.28 -0.10 -0.09 0.08 0.02 0.00 0.00 175.26 175.46 1t3i s VAL 264 N -1.31 0.84 0.39 2.63 1.01 -1.26 -0.75 120.40 121.94 1t3i s VAL 264 Ca -0.14 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.58 1t3i s VAL 264 Cb -0.08 -0.79 -0.07 0.00 0.00 0.00 0.00 36.38 35.44 1t3i s VAL 264 CO 0.01 0.29 0.03 -0.36 0.00 0.00 0.00 175.10 175.06 1t3i s PHE 265 N 0.69 2.32 0.42 5.22 0.40 0.17 -5.01 117.98 122.19 1t3i s PHE 265 Ca -0.12 -0.78 0.13 0.00 -0.60 0.00 0.00 56.93 55.56 1t3i s PHE 265 Cb -0.14 -1.62 0.90 0.00 0.51 0.00 0.00 43.02 42.67 1t3i s PHE 265 CO 0.02 0.30 1.94 0.74 0.70 0.00 0.00 175.22 178.92 1t3i h PHE 266 N 1.86 0.06 -0.01 0.36 -1.00 -2.05 -3.21 116.94 112.95 1t3i h PHE 266 Ca -0.43 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.34 1t3i h PHE 266 Cb 1.24 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.79 1t3i h PHE 266 CO 0.73 0.26 -0.67 -0.40 -1.61 0.00 0.00 178.31 176.62 1t3i n ASP 267 N -4.27 1.65 -3.66 2.17 3.85 -1.26 -5.03 116.55 110.00 1t3i n ASP 267 Ca -0.02 -1.33 0.01 0.00 -0.71 0.00 0.00 54.79 52.75 1t3i n ASP 267 Cb 0.28 0.67 0.00 0.00 -1.35 0.00 0.00 41.12 40.72 1t3i n ASP 267 CO 0.00 0.00 0.00 -1.38 -1.01 0.00 0.00 177.20 174.81 1t3i s HIS 268 N -2.67 -0.02 0.09 2.11 -3.43 -1.21 -5.18 115.29 104.97 1t3i s HIS 268 Ca 0.15 -0.11 -0.00 0.00 -0.80 0.00 0.00 55.06 54.30 1t3i s HIS 268 Cb 0.17 0.56 -0.04 0.00 -1.43 0.00 0.00 32.58 31.84 1t3i s HIS 268 CO 0.68 -0.33 -0.02 -0.59 -2.00 0.00 0.00 174.74 172.48 1t3i s PHE 269 N -2.36 0.75 0.06 0.38 -0.71 -1.26 -0.65 117.98 114.18 1t3i s PHE 269 Ca 0.18 -1.06 0.09 0.00 -1.04 0.00 0.00 56.93 55.10 1t3i s PHE 269 Cb 0.03 -0.47 -0.03 0.00 -1.21 0.00 0.00 43.02 41.34 1t3i s PHE 269 CO -0.02 -0.34 -0.24 0.95 -1.34 0.00 0.00 175.22 174.23 1t3i s THR 270 N -3.85 2.37 0.28 -4.49 -4.23 0.07 -4.99 115.64 100.79 1t3i s THR 270 Ca 0.13 -1.38 -0.14 0.00 -1.18 0.00 0.00 61.69 59.12 1t3i s THR 270 Cb 0.07 -1.97 -0.08 0.00 1.34 0.00 0.00 72.50 71.86 1t3i s THR 270 CO -0.05 0.32 0.68 0.42 -0.54 0.00 0.00 174.62 175.45 1t3i s THR 271 N -0.88 4.73 0.93 3.99 -4.23 -1.26 -0.14 115.64 118.78 1t3i s THR 271 Ca 0.13 0.88 -0.13 0.00 -1.18 0.00 0.00 61.69 61.39 1t3i s THR 271 Cb -0.10 -3.65 0.15 0.00 1.34 0.00 0.00 72.50 70.24 1t3i s THR 271 CO 0.04 -0.08 1.17 -0.83 -0.54 0.00 0.00 174.62 174.38 1t3i s GLY 272 N -2.16 1.61 0.81 3.99 0.00 0.67 -4.21 107.32 108.02 1t3i s GLY 272 Ca 0.50 -0.68 -0.12 0.00 0.00 0.00 0.00 44.72 44.42 1t3i s GLY 272 CO 0.19 -0.07 1.13 -0.54 0.00 0.00 0.00 173.10 173.81 1t3i s GLU 273 N -5.42 1.97 0.54 2.90 0.41 -1.26 -4.00 118.70 113.84 1t3i s GLU 273 Ca 0.66 0.37 -0.21 0.00 -0.41 0.00 0.00 54.97 55.38 1t3i s GLU 273 Cb -0.12 -1.93 -0.05 0.00 -1.78 0.00 0.00 34.13 30.25 1t3i s GLU 273 CO 0.53 -1.64 1.23 -0.51 -0.49 0.00 0.00 175.26 174.38 1t3i s LEU 274 N -5.70 3.82 0.00 1.80 1.43 -1.26 -1.73 118.68 117.04 1t3i s LEU 274 Ca 0.61 2.45 0.26 0.00 -1.03 0.00 0.00 54.13 56.42 1t3i s LEU 274 Cb -0.13 -4.41 0.63 0.00 0.03 0.00 0.00 46.19 42.31 1t3i s LEU 274 CO 0.52 -1.37 1.49 -0.81 0.23 0.00 0.00 176.35 176.40 1t3i n PRO 275 N -1.11 0.98 -0.13 1.29 -0.04 -1.26 -4.84 135.00 129.89 1t3i n PRO 275 Ca 0.11 -0.64 0.26 0.00 -0.04 0.00 0.00 63.50 63.19 1t3i n PRO 275 Cb 0.48 -1.49 0.71 0.00 -0.04 0.00 0.00 33.50 33.16 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 1.55 0.02 -0.97 0.54 3.86 -1.67 -1.64 115.15 116.84 1t3i h HIS 276 Ca 0.00 0.00 0.25 0.00 -1.16 0.00 0.00 60.37 59.46 1t3i h HIS 276 Cb 0.56 -0.01 -0.07 0.00 1.06 0.00 0.00 27.41 28.96 1t3i h HIS 276 CO 0.00 0.01 0.65 -0.22 0.86 0.00 0.00 177.93 179.23 1t3i h LYS 277 N 0.01 0.28 -0.53 2.45 3.64 -1.49 -1.82 116.57 119.11 1t3i h LYS 277 Ca 0.38 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1t3i h LYS 277 Cb 1.51 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 1t3i h LYS 277 CO -0.01 0.18 0.00 1.19 -2.27 0.00 0.00 179.45 178.54 1t3i n PHE 278 N -4.47 0.71 -3.96 1.91 3.01 -0.62 -4.66 117.46 109.38 1t3i n PHE 278 Ca 0.22 -0.43 -0.32 0.00 1.01 0.00 0.00 57.45 57.92 1t3i n PHE 278 Cb 0.85 -0.01 -0.14 0.00 -0.01 0.00 0.00 39.48 40.18 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 -1.09 1.63 -0.09 -1.08 2.02 -0.68 -4.82 118.70 114.59 1t3i s GLU 279 Ca 0.39 -1.92 -0.12 0.00 0.02 0.00 0.00 54.97 53.33 1t3i s GLU 279 Cb 0.21 -3.30 -0.05 0.00 0.10 0.00 0.00 34.13 31.09 1t3i s GLU 279 CO 0.27 -0.98 0.29 0.00 0.02 0.00 0.00 175.26 174.87 1t3i s ALA 280 N 0.86 3.72 0.04 5.21 0.00 -1.26 -3.56 121.76 126.77 1t3i s ALA 280 Ca 0.11 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1t3i s ALA 280 Cb -0.20 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.66 1t3i s ALA 280 CO -0.07 0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.51 1t3i n GLY 281 N 2.35 -1.51 3.69 0.00 0.00 0.39 -4.80 105.19 105.31 1t3i n GLY 281 Ca -0.15 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.38 2.75 1.04 2.61 2.01 -1.26 -4.82 115.64 116.59 1t3i s THR 282 Ca 0.00 0.18 -0.16 0.00 0.31 0.00 0.00 61.69 62.02 1t3i s THR 282 Cb 0.00 -3.12 0.22 0.00 0.01 0.00 0.00 72.50 69.61 1t3i s THR 282 CO 0.00 -0.00 1.20 -2.16 -0.69 0.00 0.00 174.62 172.96 1t3i s PRO 283 N 2.93 0.06 -1.27 4.92 0.04 -1.26 -4.90 135.00 135.52 1t3i s PRO 283 Ca 0.80 -0.10 -0.13 0.00 0.04 0.00 0.00 61.00 61.60 1t3i s PRO 283 Cb -0.44 -1.75 0.14 0.00 0.04 0.00 0.00 34.50 32.50 1t3i s PRO 283 CO 0.36 -2.85 1.68 0.00 0.04 0.00 0.00 177.00 176.22 1t3i n ALA 284 N -4.14 4.37 0.15 8.56 0.00 -1.26 -4.84 120.51 123.35 1t3i n ALA 284 Ca 0.12 -4.17 -0.12 0.00 0.00 0.00 0.00 53.44 49.27 1t3i n ALA 284 Cb 0.59 -3.17 -0.07 0.00 0.00 0.00 0.00 19.45 16.80 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 4.50 0.00 -0.76 0.00 2.04 -1.99 -0.77 117.51 120.53 1t3i h ILE 285 Ca 0.38 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.32 1t3i h ILE 285 Cb 0.79 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 1t3i h ILE 285 CO 1.44 0.00 0.44 0.00 0.00 0.00 0.00 178.15 180.03 1t3i h ALA 286 N -1.01 1.05 -0.43 1.87 0.00 -1.97 -1.70 119.26 117.08 1t3i h ALA 286 Ca -0.03 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1t3i h ALA 286 Cb 0.58 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1t3i h ALA 286 CO -0.12 0.11 0.02 0.93 0.00 0.00 0.00 179.25 180.19 1t3i h GLU 287 N 0.78 0.69 -0.37 0.00 3.07 -1.94 -0.14 114.58 116.69 1t3i h GLU 287 Ca 0.35 -0.17 -0.15 0.00 -0.50 0.00 0.00 59.36 58.89 1t3i h GLU 287 Cb 0.24 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1t3i h GLU 287 CO -0.20 0.70 -0.38 0.00 -1.40 0.00 0.00 179.01 177.73 1t3i h ALA 288 N 1.36 0.54 -0.57 3.43 0.00 -0.59 0.02 119.26 123.46 1t3i h ALA 288 Ca 0.14 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1t3i h ALA 288 Cb 0.38 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1t3i h ALA 288 CO 0.01 0.64 0.20 0.82 0.00 0.00 0.00 179.25 180.92 1t3i h ILE 289 N 0.71 1.22 -0.28 0.00 2.04 -0.93 -0.73 117.51 119.54 1t3i h ILE 289 Ca 0.06 -0.72 -0.12 0.00 1.00 0.00 0.00 64.86 65.08 1t3i h ILE 289 Cb 0.97 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1t3i h ILE 289 CO 0.09 0.28 -0.34 0.00 0.00 0.00 0.00 178.15 178.18 1t3i h ALA 290 N 1.39 0.90 -0.47 1.87 0.00 -0.70 -2.28 119.26 119.97 1t3i h ALA 290 Ca 0.19 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1t3i h ALA 290 Cb 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1t3i h ALA 290 CO -0.01 0.63 0.08 1.25 0.00 0.00 0.00 179.25 181.19 1t3i h LEU 291 N 0.51 0.67 -0.87 0.00 5.85 -0.10 -0.34 115.31 121.03 1t3i h LEU 291 Ca 0.06 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1t3i h LEU 291 Cb 0.82 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1t3i h LEU 291 CO 0.07 0.69 0.33 1.23 -0.34 0.00 0.00 178.44 180.43 1t3i h GLY 292 N 0.92 1.24 1.53 3.75 0.00 -0.68 0.08 103.07 109.91 1t3i h GLY 292 Ca 0.15 -0.65 -0.11 0.00 0.00 0.00 0.00 47.33 46.72 1t3i h GLY 292 CO 0.00 0.62 -0.28 0.00 0.00 0.00 0.00 176.54 176.88 1t3i h ALA 293 N 1.23 1.01 -0.26 3.60 0.00 -0.80 -1.47 119.26 122.57 1t3i h ALA 293 Ca 0.27 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1t3i h ALA 293 Cb 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1t3i h ALA 293 CO -0.03 0.59 0.05 0.00 0.00 0.00 0.00 179.25 179.86 1t3i h ALA 294 N 1.23 0.34 -0.61 0.00 0.00 -0.40 -0.45 119.26 119.37 1t3i h ALA 294 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1t3i h ALA 294 Cb 0.73 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1t3i h ALA 294 CO 0.06 0.02 0.39 0.28 0.00 0.00 0.00 179.25 180.00 1t3i h VAL 295 N 0.24 1.16 -0.59 0.00 2.07 -0.81 -0.80 116.25 117.52 1t3i h VAL 295 Ca 0.08 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1t3i h VAL 295 Cb 0.32 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1t3i h VAL 295 CO 0.00 0.16 0.26 0.44 0.02 0.00 0.00 177.57 178.46 1t3i h ASP 296 N 0.82 0.79 -0.10 0.57 3.32 -1.08 0.10 116.42 120.85 1t3i h ASP 296 Ca 0.22 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.13 1t3i h ASP 296 Cb -0.07 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1t3i h ASP 296 CO -0.05 0.72 0.05 0.22 -1.72 0.00 0.00 179.24 178.46 1t3i h TYR 297 N 0.81 0.09 -0.46 4.55 3.20 -0.73 0.53 116.97 124.96 1t3i h TYR 297 Ca 0.20 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 1t3i h TYR 297 Cb 0.15 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1t3i h TYR 297 CO 0.00 0.05 0.13 -0.07 -1.64 0.00 0.00 178.16 176.64 1t3i h LEU 298 N 0.10 0.68 -1.17 2.82 3.38 -0.97 -2.40 115.31 117.75 1t3i h LEU 298 Ca 0.04 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1t3i h LEU 298 Cb 0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1t3i h LEU 298 CO -0.03 0.72 0.17 0.74 0.09 0.00 0.00 178.44 180.13 1t3i h THR 299 N 0.61 1.20 -0.76 0.22 2.02 -0.57 0.31 112.91 115.94 1t3i h THR 299 Ca 0.15 -0.68 -0.06 0.00 0.77 0.00 0.00 66.41 66.59 1t3i h THR 299 Cb 0.29 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1t3i h THR 299 CO -0.00 0.26 0.25 -0.78 0.37 0.00 0.00 175.52 175.61 1t3i h ASP 300 N 0.74 1.09 -0.22 4.18 1.82 -0.61 -2.48 116.42 120.93 1t3i h ASP 300 Ca 0.17 -0.20 -0.16 0.00 -0.39 0.00 0.00 57.03 56.45 1t3i h ASP 300 Cb 0.21 -0.29 0.00 0.00 0.68 0.00 0.00 39.33 39.93 1t3i h ASP 300 CO -0.01 1.00 -0.48 -0.07 -1.61 0.00 0.00 179.24 178.07 1t3i h LEU 301 N 1.12 0.81 0.00 2.28 3.38 -0.90 -3.50 115.31 118.51 1t3i h LEU 301 Ca 0.25 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1t3i h LEU 301 Cb 0.29 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1t3i h LEU 301 CO -0.01 1.21 0.00 0.61 0.09 0.00 0.00 178.44 180.34 1t3i n GLY 302 N 0.43 1.18 0.30 0.83 0.00 0.10 -4.62 105.19 103.41 1t3i n GLY 302 Ca -0.06 -1.13 0.06 0.00 0.00 0.00 0.00 46.02 44.89 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 0.41 -0.28 1.61 0.00 -1.84 -0.12 114.93 114.71 1t3i h MET 303 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 59.70 59.55 1t3i h MET 303 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 31.60 31.49 1t3i h MET 303 CO 0.00 0.27 -0.32 0.93 0.00 0.00 0.00 176.91 177.79 1t3i h GLU 304 N 0.43 0.61 -0.28 1.72 3.07 -1.91 0.29 114.58 118.50 1t3i h GLU 304 Ca 0.13 -0.27 -0.19 0.00 -0.50 0.00 0.00 59.36 58.53 1t3i h GLU 304 Cb 0.01 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1t3i h GLU 304 CO -0.03 0.85 -0.55 -0.91 -1.40 0.00 0.00 179.01 176.97 1t3i h ASN 305 N 0.52 0.97 -0.23 1.42 2.35 -1.52 -0.04 115.58 119.04 1t3i h ASN 305 Ca 0.06 -0.52 -0.00 0.00 -0.55 0.00 0.00 56.30 55.28 1t3i h ASN 305 Cb 0.81 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1t3i h ASN 305 CO 0.07 1.32 0.13 0.40 -1.65 0.00 0.00 177.43 177.69 1t3i h ILE 306 N 0.66 1.11 -0.30 2.81 2.04 -0.89 -1.60 117.51 121.35 1t3i h ILE 306 Ca 0.01 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 1t3i h ILE 306 Cb 1.16 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1t3i h ILE 306 CO 0.12 0.11 0.18 -0.74 0.00 0.00 0.00 178.15 177.83 1t3i h HIS 307 N 0.26 0.40 -0.69 1.37 2.76 -0.84 -0.91 115.15 117.49 1t3i h HIS 307 Ca 0.08 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.31 1t3i h HIS 307 Cb 0.07 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 28.84 1t3i h HIS 307 CO -0.04 0.29 0.40 -0.91 -1.30 0.00 0.00 177.93 176.37 1t3i h ASN 308 N 0.39 0.60 -0.45 3.26 2.35 -0.80 -0.33 115.58 120.61 1t3i h ASN 308 Ca 0.11 0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.81 1t3i h ASN 308 Cb 0.01 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1t3i h ASN 308 CO -0.02 0.39 0.01 0.22 -1.65 0.00 0.00 177.43 176.37 1t3i h TYR 309 N 0.73 0.85 -0.40 1.19 3.20 -1.02 -2.64 116.97 118.88 1t3i h TYR 309 Ca 0.30 -0.15 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 1t3i h TYR 309 Cb 0.17 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 1t3i h TYR 309 CO -0.07 0.83 0.09 0.93 -1.64 0.00 0.00 178.16 178.30 1t3i h GLU 310 N 0.63 0.60 -0.62 1.82 5.08 -0.63 -1.75 114.58 119.70 1t3i h GLU 310 Ca 0.13 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1t3i h GLU 310 Cb 0.49 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1t3i h GLU 310 CO 0.02 0.56 0.24 0.28 -1.00 0.00 0.00 179.01 179.11 1t3i h VAL 311 N 0.59 1.24 -0.25 3.13 2.07 -0.87 0.16 116.25 122.32 1t3i h VAL 311 Ca 0.13 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.91 1t3i h VAL 311 Cb 0.24 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1t3i h VAL 311 CO -0.00 0.29 0.12 -0.08 0.02 0.00 0.00 177.57 177.93 1t3i h GLU 312 N 0.88 0.26 -0.15 1.57 4.81 -1.01 -1.88 114.58 119.05 1t3i h GLU 312 Ca 0.21 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 1t3i h GLU 312 Cb 0.23 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1t3i h GLU 312 CO -0.01 0.17 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.15 1t3i h LEU 313 N 0.26 0.26 -0.45 1.64 3.38 -1.00 -2.68 115.31 116.72 1t3i h LEU 313 Ca 0.10 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1t3i h LEU 313 Cb 0.02 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1t3i h LEU 313 CO -0.07 0.48 0.01 0.74 0.09 0.00 0.00 178.44 179.70 1t3i h THR 314 N 0.24 1.26 -0.66 0.22 2.02 -0.07 0.11 112.91 116.04 1t3i h THR 314 Ca 0.04 -1.03 -0.07 0.00 0.77 0.00 0.00 66.41 66.12 1t3i h THR 314 Cb 0.52 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 1t3i h THR 314 CO 0.03 0.36 0.13 0.45 0.37 0.00 0.00 175.52 176.86 1t3i h HIS 315 N 0.64 1.14 -0.35 3.16 3.86 -1.25 -0.74 115.15 121.61 1t3i h HIS 315 Ca 0.13 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1t3i h HIS 315 Cb 0.49 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 1t3i h HIS 315 CO 0.04 0.95 0.19 -0.92 0.86 0.00 0.00 177.93 179.05 1t3i h TYR 316 N 1.00 0.48 -0.17 2.45 3.20 -1.20 0.14 116.97 122.88 1t3i h TYR 316 Ca 0.20 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 1t3i h TYR 316 Cb 0.41 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1t3i h TYR 316 CO 0.03 0.38 0.07 1.25 -1.64 0.00 0.00 178.16 178.26 1t3i h LEU 317 N 0.44 0.23 -0.69 2.82 5.85 -0.57 -2.03 115.31 121.37 1t3i h LEU 317 Ca 0.12 -0.15 -0.13 0.00 0.84 0.00 0.00 57.88 58.56 1t3i h LEU 317 Cb 0.06 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1t3i h LEU 317 CO -0.02 0.32 -0.37 -0.50 -0.34 0.00 0.00 178.44 177.54 1t3i h TRP 318 N 0.13 0.70 -0.49 1.25 4.06 -1.02 -0.04 115.95 120.55 1t3i h TRP 318 Ca 0.06 -0.19 -0.03 0.00 2.06 0.00 0.00 58.89 60.79 1t3i h TRP 318 Cb 0.16 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 1t3i h TRP 318 CO -0.02 0.88 0.19 1.96 -3.56 0.00 0.00 178.44 177.90 1t3i h GLN 319 N 0.50 0.73 -0.26 0.49 4.20 -0.93 0.26 115.11 120.09 1t3i h GLN 319 Ca 0.05 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1t3i h GLN 319 Cb 0.86 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 1t3i h GLN 319 CO 0.07 0.65 0.06 0.78 -0.67 0.00 0.00 178.83 179.72 1t3i h GLY 320 N 0.64 0.46 1.28 3.46 0.00 -1.12 -2.88 103.07 104.92 1t3i h GLY 320 Ca 0.16 -0.29 -0.15 0.00 0.00 0.00 0.00 47.33 47.06 1t3i h GLY 320 CO -0.01 0.27 -0.38 1.41 0.00 0.00 0.00 176.54 177.83 1t3i h LEU 321 N 0.25 0.84 -2.42 3.11 3.38 -0.89 -2.88 115.31 116.70 1t3i h LEU 321 Ca 0.08 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1t3i h LEU 321 Cb 0.29 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1t3i h LEU 321 CO 0.00 1.12 0.00 1.23 0.09 0.00 0.00 178.44 180.88 1t3i h GLY 322 N 0.90 0.00 -2.08 0.83 0.00 -0.44 -1.85 103.07 100.44 1t3i h GLY 322 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1t3i h GLY 322 CO 0.09 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.57 1t3i n GLN 323 N -3.00 2.48 -3.70 4.80 6.02 -1.09 -4.66 117.38 118.24 1t3i n GLN 323 Ca -0.02 -1.95 -0.38 0.00 -0.01 0.00 0.00 57.00 54.64 1t3i n GLN 323 Cb 0.13 -1.52 -0.11 0.00 1.02 0.00 0.00 30.24 29.77 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 -1.46 3.72 0.53 5.09 1.01 -0.70 -5.00 121.20 124.39 1t3i s ILE 324 Ca 0.36 -1.72 0.29 0.00 0.00 0.00 0.00 60.65 59.58 1t3i s ILE 324 Cb 0.20 -3.40 0.46 0.00 0.01 0.00 0.00 42.46 39.73 1t3i s ILE 324 CO 0.22 -0.58 1.91 1.55 0.00 0.00 0.00 174.94 178.04 1t3i h PRO 325 N 8.23 0.03 0.00 2.79 0.13 -1.85 -2.31 132.00 139.02 1t3i h PRO 325 Ca -0.19 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1t3i h PRO 325 Cb 1.07 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1t3i h PRO 325 CO 0.73 0.02 0.00 1.04 -0.23 0.00 0.00 178.00 179.56 1t3i n GLN 326 N -4.31 0.13 -3.23 0.86 3.00 -1.26 -4.86 117.38 107.71 1t3i n GLN 326 Ca 0.16 0.28 -0.35 0.00 -0.01 0.00 0.00 57.00 57.08 1t3i n GLN 326 Cb 0.85 -1.71 -0.06 0.00 0.00 0.00 0.00 30.24 29.33 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 -3.89 4.29 -0.24 1.08 1.02 -0.87 -0.61 118.68 119.45 1t3i s LEU 327 Ca 0.08 1.23 0.02 0.00 0.02 0.00 0.00 54.13 55.48 1t3i s LEU 327 Cb 0.11 -3.55 0.06 0.00 0.02 0.00 0.00 46.19 42.83 1t3i s LEU 327 CO 0.42 0.02 -0.11 -0.60 0.02 0.00 0.00 176.35 176.10 1t3i s ARG 328 N -2.19 2.18 -0.01 1.70 6.06 -0.40 -4.98 118.95 121.31 1t3i s ARG 328 Ca 0.43 -1.21 -0.14 0.00 -2.50 0.00 0.00 55.73 52.31 1t3i s ARG 328 Cb -0.15 -2.78 -0.06 0.00 0.06 0.00 0.00 34.95 32.03 1t3i s ARG 328 CO 0.20 -0.54 0.39 -0.51 -2.50 0.00 0.00 175.30 172.34 1t3i s LEU 329 N 1.19 4.47 -0.04 -0.88 1.43 -1.26 -1.61 118.68 121.97 1t3i s LEU 329 Ca -0.07 0.92 -0.00 0.00 -1.03 0.00 0.00 54.13 53.95 1t3i s LEU 329 Cb -0.19 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 1t3i s LEU 329 CO -0.06 0.33 0.01 -0.31 0.23 0.00 0.00 176.35 176.55 1t3i s TYR 330 N -1.08 3.14 0.00 0.29 2.02 -0.59 -5.00 117.35 116.13 1t3i s TYR 330 Ca 0.23 0.15 0.00 0.00 -0.37 0.00 0.00 57.07 57.08 1t3i s TYR 330 Cb -0.16 -1.73 0.00 0.00 -0.40 0.00 0.00 41.96 39.66 1t3i s TYR 330 CO 0.13 0.48 0.00 0.41 -1.57 0.00 0.00 175.55 174.99 1t3i n GLY 331 N 1.72 0.13 3.76 0.71 0.00 -1.26 -4.51 105.19 105.74 1t3i n GLY 331 Ca -0.16 -1.91 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.44 4.53 0.47 1.61 0.04 -0.96 -4.76 135.00 134.48 1t3i s PRO 332 Ca 0.00 1.96 -0.23 0.00 0.04 0.00 0.00 61.00 62.77 1t3i s PRO 332 Cb 0.00 -3.15 -0.07 0.00 0.04 0.00 0.00 34.50 31.32 1t3i s PRO 332 CO 0.00 0.05 1.19 1.21 0.04 0.00 0.00 177.00 179.49 1t3i s ASN 333 N -0.70 6.10 0.34 6.66 2.47 -1.26 -4.87 114.94 123.67 1t3i s ASN 333 Ca 0.46 2.36 0.23 0.00 0.42 0.00 0.00 52.86 56.33 1t3i s ASN 333 Cb -0.35 -2.61 1.24 0.00 -1.45 0.00 0.00 41.25 38.08 1t3i s ASN 333 CO 0.45 -0.97 1.72 1.55 -3.72 0.00 0.00 177.10 176.13 1t3i h PRO 334 N 2.02 0.00 -0.17 0.43 0.13 -1.91 0.26 132.00 132.76 1t3i h PRO 334 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1t3i h PRO 334 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1t3i h PRO 334 CO 0.60 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.00 1t3i n LYS 335 N -2.32 2.06 -0.00 0.86 5.02 -1.26 -3.53 118.16 118.99 1t3i n LYS 335 Ca -0.01 -1.58 -0.22 0.00 -2.02 0.00 0.00 58.31 54.49 1t3i n LYS 335 Cb 0.06 -1.46 -0.14 0.00 -0.02 0.00 0.00 35.03 33.47 1t3i n LYS 335 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1t3i n HIS 336 N 0.84 1.27 -3.61 2.13 8.25 0.89 -5.04 115.22 119.95 1t3i n HIS 336 Ca 0.17 0.29 -0.01 0.00 -0.26 0.00 0.00 57.72 57.92 1t3i n HIS 336 Cb 0.47 -1.16 -0.01 0.00 1.12 0.00 0.00 29.99 30.41 1t3i n HIS 336 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1t3i s GLY 337 N -5.49 -0.31 0.28 -1.41 0.00 -1.07 -5.02 107.32 94.30 1t3i s GLY 337 Ca -0.23 1.52 -0.29 0.00 0.00 0.00 0.00 44.72 45.72 1t3i s GLY 337 CO 0.75 0.46 1.21 1.34 0.00 0.00 0.00 173.10 176.86 1t3i n ASP 338 N -0.19 2.09 -3.23 1.64 4.64 -1.26 -4.30 116.55 115.94 1t3i n ASP 338 Ca -0.00 1.17 -0.16 0.00 -1.38 0.00 0.00 54.79 54.42 1t3i n ASP 338 Cb 0.59 -1.37 -0.05 0.00 -1.04 0.00 0.00 41.12 39.25 1t3i n ASP 338 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1t3i s ARG 339 N -1.19 1.90 0.58 -0.67 1.70 -1.26 -4.28 118.95 115.73 1t3i s ARG 339 Ca 0.62 -1.83 -0.16 0.00 -0.47 0.00 0.00 55.73 53.89 1t3i s ARG 339 Cb -0.67 0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 34.09 1t3i s ARG 339 CO 0.57 -0.77 1.05 0.00 -1.08 0.00 0.00 175.30 175.07 1t3i s ALA 340 N -3.08 2.77 -1.52 7.88 0.00 0.71 -4.92 121.76 123.59 1t3i s ALA 340 Ca 0.33 0.40 -0.11 0.00 0.00 0.00 0.00 51.96 52.57 1t3i s ALA 340 Cb 0.00 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 1t3i s ALA 340 CO 0.22 -0.73 2.56 0.00 0.00 0.00 0.00 175.76 177.81 1t3i n ALA 341 N -1.92 6.55 -3.56 0.00 0.00 -1.26 -4.81 120.51 115.51 1t3i n ALA 341 Ca 0.09 -3.75 -0.08 0.00 0.00 0.00 0.00 53.44 49.69 1t3i n ALA 341 Cb 0.53 -3.39 -0.03 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 0.88 -0.02 -0.18 0.00 0.05 -1.26 -0.56 118.68 117.60 1t3i s LEU 342 Ca 0.58 -0.73 -0.07 0.00 0.05 0.00 0.00 54.13 53.96 1t3i s LEU 342 Cb 0.16 2.32 0.08 0.00 -2.05 0.00 0.00 46.19 46.70 1t3i s LEU 342 CO -0.07 -1.25 0.39 0.00 -0.55 0.00 0.00 176.35 174.87 1t3i s ALA 343 N -3.96 -1.05 -0.11 1.48 0.00 0.06 -4.95 121.76 113.24 1t3i s ALA 343 Ca 0.15 1.42 -0.05 0.00 0.00 0.00 0.00 51.96 53.49 1t3i s ALA 343 Cb -0.04 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 1t3i s ALA 343 CO 0.07 -0.65 0.07 -1.12 0.00 0.00 0.00 175.76 174.13 1t3i s SER 344 N 2.37 5.84 0.29 0.00 0.01 -1.26 -1.52 113.70 119.42 1t3i s SER 344 Ca -0.03 0.31 -0.20 0.00 1.31 0.00 0.00 55.95 57.34 1t3i s SER 344 Cb -0.11 -1.79 0.04 0.00 0.21 0.00 0.00 66.02 64.37 1t3i s SER 344 CO -0.12 0.39 0.80 0.72 0.41 0.00 0.00 173.24 175.43 1t3i s PHE 345 N -0.93 -0.08 0.01 2.43 -0.71 0.93 -1.54 117.98 118.09 1t3i s PHE 345 Ca 0.14 -0.42 0.01 0.00 -1.04 0.00 0.00 56.93 55.62 1t3i s PHE 345 Cb -0.12 0.74 -0.01 0.00 -1.21 0.00 0.00 43.02 42.42 1t3i s PHE 345 CO 0.03 -1.25 -0.03 -0.80 -1.34 0.00 0.00 175.22 171.83 1t3i s ASN 346 N -3.00 0.31 -0.20 1.98 0.01 -0.64 -0.20 114.94 113.20 1t3i s ASN 346 Ca 0.13 -0.21 -0.14 0.00 -0.71 0.00 0.00 52.86 51.93 1t3i s ASN 346 Cb -0.05 0.01 -0.04 0.00 0.41 0.00 0.00 41.25 41.58 1t3i s ASN 346 CO 0.07 -0.08 0.31 -0.69 -1.51 0.00 0.00 177.10 175.20 1t3i s VAL 347 N -0.56 5.27 -0.09 1.60 1.01 -1.26 -1.28 120.40 125.09 1t3i s VAL 347 Ca -0.05 0.53 -0.39 0.00 0.00 0.00 0.00 61.98 62.08 1t3i s VAL 347 Cb -0.04 -3.64 -0.16 0.00 0.00 0.00 0.00 36.38 32.53 1t3i s VAL 347 CO -0.00 0.32 1.51 0.00 0.00 0.00 0.00 175.10 176.93 1t3i n ALA 348 N 4.12 -0.73 -1.02 5.51 0.00 0.22 -0.89 120.51 127.70 1t3i n ALA 348 Ca -0.11 0.46 -0.01 0.00 0.00 0.00 0.00 53.44 53.78 1t3i n ALA 348 Cb 0.52 -2.13 -0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 3.25 0.31 3.05 0.00 0.00 -1.26 -4.99 105.19 105.55 1t3i n GLY 349 Ca 0.22 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.19 1.82 0.23 0.99 2.96 -0.07 -5.12 118.68 119.29 1t3i s LEU 350 Ca 0.00 -0.25 -0.30 0.00 -0.22 0.00 0.00 54.13 53.36 1t3i s LEU 350 Cb 0.00 -0.71 -0.09 0.00 0.50 0.00 0.00 46.19 45.89 1t3i s LEU 350 CO 0.00 0.09 1.03 -2.28 -1.32 0.00 0.00 176.35 173.88 1t3i s HIS 351 N 0.16 3.75 0.37 5.38 5.65 -1.26 -4.24 115.29 125.10 1t3i s HIS 351 Ca -0.04 1.77 0.11 0.00 0.25 0.00 0.00 55.06 57.15 1t3i s HIS 351 Cb -0.10 -3.15 0.89 0.00 -1.18 0.00 0.00 32.58 29.04 1t3i s HIS 351 CO 0.01 -0.13 1.86 0.00 -0.65 0.00 0.00 174.74 175.83 1t3i h ALA 352 N 4.36 1.93 -0.95 1.58 0.00 -1.91 -1.35 119.26 122.90 1t3i h ALA 352 Ca -0.45 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.48 1t3i h ALA 352 Cb 1.21 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1t3i h ALA 352 CO 0.69 -0.18 0.62 0.66 0.00 0.00 0.00 179.25 181.03 1t3i h SER 353 N 0.61 1.11 -0.00 0.00 4.64 -1.92 -0.39 113.55 117.60 1t3i h SER 353 Ca 0.45 -0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 61.63 1t3i h SER 353 Cb 0.84 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1t3i h SER 353 CO -0.20 0.81 -0.30 0.44 -0.87 0.00 0.00 176.83 176.71 1t3i h ASP 354 N 1.30 0.46 -0.08 4.97 3.32 -1.64 -0.71 116.42 124.04 1t3i h ASP 354 Ca 0.35 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1t3i h ASP 354 Cb -0.13 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 1t3i h ASP 354 CO -0.07 0.74 -0.00 0.58 -1.72 0.00 0.00 179.24 178.76 1t3i h VAL 355 N 0.39 1.26 -0.50 -1.35 2.07 -1.07 -1.54 116.25 115.51 1t3i h VAL 355 Ca 0.05 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1t3i h VAL 355 Cb 0.72 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1t3i h VAL 355 CO 0.06 0.23 0.25 0.00 0.02 0.00 0.00 177.57 178.12 1t3i h ALA 356 N 0.71 0.65 -0.67 1.67 0.00 -1.01 -1.62 119.26 118.99 1t3i h ALA 356 Ca 0.02 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1t3i h ALA 356 Cb 0.36 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1t3i h ALA 356 CO 0.00 0.20 0.43 1.15 0.00 0.00 0.00 179.25 181.04 1t3i h THR 357 N 0.67 1.14 -0.22 0.00 2.02 -1.10 -2.34 112.91 113.09 1t3i h THR 357 Ca 0.17 -0.30 -0.07 0.00 0.77 0.00 0.00 66.41 66.99 1t3i h THR 357 Cb 0.11 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 1t3i h THR 357 CO -0.02 0.16 -0.13 -0.03 0.37 0.00 0.00 175.52 175.87 1t3i h MET 358 N 0.87 0.47 0.00 6.66 -1.53 -0.98 -3.00 114.93 117.42 1t3i h MET 358 Ca 0.25 -0.21 -0.03 0.00 -3.44 0.00 0.00 59.70 56.27 1t3i h MET 358 Cb -0.07 -0.01 -0.00 0.00 -0.55 0.00 0.00 31.60 30.97 1t3i h MET 358 CO -0.07 0.76 -0.13 -0.39 0.14 0.00 0.00 176.91 177.22 1t3i h VAL 359 N 0.16 0.56 0.00 -5.77 -1.51 -1.25 -0.35 116.25 108.09 1t3i h VAL 359 Ca 0.05 -0.62 -0.02 0.00 -1.23 0.00 0.00 66.70 64.87 1t3i h VAL 359 Cb 0.63 1.41 -0.00 0.00 -2.13 0.00 0.00 31.29 31.20 1t3i h VAL 359 CO 0.04 0.13 -0.12 -0.78 -1.23 0.00 0.00 177.57 175.61 1t3i h ASP 360 N 0.00 0.00 0.77 4.19 3.58 -1.24 0.43 116.42 124.14 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 0.39 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.44 1t3i h ASP 360 CO 0.02 0.12 -0.00 1.56 -2.88 0.00 0.00 179.24 178.05 1t3i h GLN 361 N 0.00 0.00 -0.73 0.28 1.08 -1.04 0.10 115.11 114.80 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 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1t3i h GLN 361 CO 0.02 0.00 0.00 -0.25 -0.95 0.00 0.00 178.83 177.65 1t3i n ASP 362 N -3.10 4.21 0.00 1.46 10.43 0.02 -4.84 116.55 124.73 1t3i n ASP 362 Ca -0.00 -2.11 0.00 0.00 2.57 0.00 0.00 54.79 55.24 1t3i n ASP 362 Cb 0.25 -0.52 0.00 0.00 1.84 0.00 0.00 41.12 42.69 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 1.56 0.82 3.70 0.44 0.00 0.35 -4.75 105.19 107.32 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 -3.24 4.92 -0.37 -0.61 -1.09 -0.49 -2.11 121.20 118.22 1t3i s ILE 364 Ca 0.00 1.78 -0.09 0.00 -2.23 0.00 0.00 60.65 60.11 1t3i s ILE 364 Cb 0.00 -4.19 0.04 0.00 -1.58 0.00 0.00 42.46 36.73 1t3i s ILE 364 CO 0.00 0.15 0.17 0.00 -1.23 0.00 0.00 174.94 174.03 1t3i s ALA 365 N 1.26 3.18 0.34 9.38 0.00 0.03 -2.78 121.76 133.17 1t3i s ALA 365 Ca 0.44 -1.82 0.03 0.00 0.00 0.00 0.00 51.96 50.62 1t3i s ALA 365 Cb -0.19 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 1t3i s ALA 365 CO 0.21 -1.42 0.12 0.96 0.00 0.00 0.00 175.76 175.63 1t3i s ILE 366 N 1.46 0.65 0.10 0.00 -4.36 -1.26 -0.66 121.20 117.13 1t3i s ILE 366 Ca 0.01 -2.00 0.09 0.00 -0.26 0.00 0.00 60.65 58.48 1t3i s ILE 366 Cb -0.20 -2.53 -0.04 0.00 1.25 0.00 0.00 42.46 40.94 1t3i s ILE 366 CO 0.04 0.00 -0.20 -0.60 0.24 0.00 0.00 174.94 174.43 1t3i s ARG 367 N -3.82 1.79 0.25 0.37 6.06 -0.80 -4.95 118.95 117.85 1t3i s ARG 367 Ca 0.32 -1.16 0.08 0.00 -2.50 0.00 0.00 55.73 52.47 1t3i s ARG 367 Cb 0.05 -2.09 -0.05 0.00 0.06 0.00 0.00 34.95 32.92 1t3i s ARG 367 CO 0.16 0.49 -0.12 -1.54 -2.50 0.00 0.00 175.30 171.78 1t3i s SER 368 N -1.95 2.89 0.00 -2.12 1.04 -1.26 0.01 113.70 112.31 1t3i s SER 368 Ca 0.16 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.50 1t3i s SER 368 Cb -0.10 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.83 1t3i s SER 368 CO 0.08 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.72 1t3i n GLY 369 N -0.52 -0.05 0.52 7.32 0.00 -1.00 -4.73 105.19 106.73 1t3i n GLY 369 Ca -0.06 -2.27 0.13 0.00 0.00 0.00 0.00 46.02 43.82 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 0.00 -2.90 1.61 1.44 -1.26 -0.38 115.22 113.74 1t3i n HIS 370 Ca 0.00 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.52 1t3i n HIS 370 Cb 0.00 -0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.08 1t3i n HIS 370 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1t3i n HIS 371 N 0.19 -1.64 -2.29 -1.40 -0.00 -1.26 -0.39 115.22 108.43 1t3i n HIS 371 Ca 0.16 0.27 -0.16 0.00 -0.00 0.00 0.00 57.72 57.99 1t3i n HIS 371 Cb 0.41 -3.18 -0.01 0.00 -0.00 0.00 0.00 29.99 27.21 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 -3.99 0.89 -0.03 0.00 -2.24 0.48 -0.41 114.28 108.97 1t3i n THR 373 Ca -0.19 -4.37 -0.11 0.00 -2.27 0.00 0.00 64.05 57.11 1t3i n THR 373 Cb 0.64 -0.28 -0.05 0.00 -2.10 0.00 0.00 70.33 68.54 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 2.96 0.22 -0.79 -0.78 4.15 -1.88 -2.02 115.11 116.97 1t3i h GLN 374 Ca 0.07 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.55 1t3i h GLN 374 Cb 0.95 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.52 1t3i h GLN 374 CO 0.58 0.21 0.45 -1.35 -1.93 0.00 0.00 178.83 176.79 1t3i h PRO 375 N 0.16 0.75 -0.31 -2.39 0.11 -1.92 -1.86 132.00 126.56 1t3i h PRO 375 Ca 0.06 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.14 1t3i h PRO 375 Cb 0.05 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 1t3i h PRO 375 CO -0.01 0.50 0.16 1.25 -0.21 0.00 0.00 178.00 179.69 1t3i h LEU 376 N 0.78 0.25 -1.85 2.35 5.85 -1.57 -2.39 115.31 118.73 1t3i h LEU 376 Ca 0.37 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.08 1t3i h LEU 376 Cb 0.30 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1t3i h LEU 376 CO -0.23 0.19 -0.10 0.45 -0.34 0.00 0.00 178.44 178.41 1t3i h HIS 377 N 0.34 0.00 0.00 1.25 3.86 -0.62 -1.35 115.15 118.63 1t3i h HIS 377 Ca 0.12 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.28 1t3i h HIS 377 Cb 0.03 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 1t3i h HIS 377 CO -0.09 0.10 -0.24 0.00 0.86 0.00 0.00 177.93 178.56 1t3i h ARG 378 N 0.00 0.00 0.00 2.45 3.08 -0.85 0.34 114.38 119.41 1t3i h ARG 378 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1t3i h ARG 378 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1t3i h ARG 378 CO 0.01 0.24 -0.15 -0.07 -1.07 0.00 0.00 179.97 178.94 1t3i h LEU 379 N 0.00 0.00 -3.01 3.04 4.07 -1.17 -1.01 115.31 117.23 1t3i h LEU 379 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1t3i h LEU 379 Cb 0.46 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.20 1t3i h LEU 379 CO 0.03 0.15 0.00 0.49 -1.08 0.00 0.00 178.44 178.03 1t3i n PHE 380 N -3.44 1.14 -3.99 1.13 3.01 -0.71 -4.94 117.46 109.66 1t3i n PHE 380 Ca -0.01 -0.58 -0.30 0.00 1.01 0.00 0.00 57.45 57.57 1t3i n PHE 380 Cb 0.32 -0.15 -0.00 0.00 -0.01 0.00 0.00 39.48 39.64 1t3i n PHE 380 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1t3i n ASP 381 N 1.03 -2.63 -4.18 4.37 8.00 -0.39 -4.96 116.55 117.80 1t3i n ASP 381 Ca 0.23 -0.92 -0.27 0.00 0.71 0.00 0.00 54.79 54.54 1t3i n ASP 381 Cb 0.74 -3.33 -0.16 0.00 -0.02 0.00 0.00 41.12 38.35 1t3i n ASP 381 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1t3i s ALA 382 N -3.53 1.62 -0.30 2.24 0.00 0.03 -5.00 121.76 116.82 1t3i s ALA 382 Ca 0.42 -0.79 0.22 0.00 0.00 0.00 0.00 51.96 51.81 1t3i s ALA 382 Cb -0.22 -0.48 0.38 0.00 0.00 0.00 0.00 23.12 22.81 1t3i s ALA 382 CO 0.87 0.34 1.61 0.66 0.00 0.00 0.00 175.76 179.25 1t3i h SER 383 N 5.95 0.00 -0.42 0.00 4.64 -1.93 -3.32 113.55 118.47 1t3i h SER 383 Ca -0.35 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.99 1t3i h SER 383 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1t3i h SER 383 CO 0.48 0.13 0.07 0.61 -0.87 0.00 0.00 176.83 177.25 1t3i n GLY 384 N 1.00 0.76 3.53 -0.77 0.00 -1.26 -4.20 105.19 104.25 1t3i n GLY 384 Ca 0.03 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.23 -0.34 -0.03 1.61 1.04 0.49 -4.86 113.70 110.39 1t3i s SER 385 Ca 0.02 -0.37 -0.14 0.00 0.48 0.00 0.00 55.95 55.95 1t3i s SER 385 Cb -0.00 0.60 -0.05 0.00 0.10 0.00 0.00 66.02 66.66 1t3i s SER 385 CO 0.00 -1.06 0.37 0.00 0.98 0.00 0.00 173.24 173.53 1t3i s ALA 386 N -3.84 3.70 -0.05 5.32 0.00 0.72 -2.38 121.76 125.23 1t3i s ALA 386 Ca 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 1t3i s ALA 386 Cb -0.01 -2.35 0.03 0.00 0.00 0.00 0.00 23.12 20.79 1t3i s ALA 386 CO -0.05 0.45 0.01 0.50 0.00 0.00 0.00 175.76 176.67 1t3i s ARG 387 N -0.88 0.35 -0.23 0.00 3.52 0.10 -0.05 118.95 121.77 1t3i s ARG 387 Ca 0.22 0.15 -0.07 0.00 -0.13 0.00 0.00 55.73 55.90 1t3i s ARG 387 Cb -0.16 -0.68 -0.03 0.00 -1.56 0.00 0.00 34.95 32.52 1t3i s ARG 387 CO 0.11 -0.23 0.05 0.00 -0.81 0.00 0.00 175.30 174.42 1t3i s ALA 388 N 1.61 3.16 -0.07 6.12 0.00 -0.58 -1.91 121.76 130.09 1t3i s ALA 388 Ca -0.01 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 50.92 1t3i s ALA 388 Cb -0.13 -1.99 0.01 0.00 0.00 0.00 0.00 23.12 21.01 1t3i s ALA 388 CO -0.03 -0.34 -0.15 -1.54 0.00 0.00 0.00 175.76 173.70 1t3i s SER 389 N 1.34 2.07 0.41 0.00 1.04 0.57 -0.76 113.70 118.37 1t3i s SER 389 Ca 0.05 -0.36 0.08 0.00 0.48 0.00 0.00 55.95 56.20 1t3i s SER 389 Cb -0.15 -0.94 0.00 0.00 0.10 0.00 0.00 66.02 65.04 1t3i s SER 389 CO 0.03 0.07 0.51 -0.76 0.98 0.00 0.00 173.24 174.07 1t3i s LEU 390 N 0.56 3.61 0.30 2.42 1.43 0.28 -2.46 118.68 124.82 1t3i s LEU 390 Ca -0.15 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 52.44 1t3i s LEU 390 Cb -0.16 -2.51 -0.01 0.00 0.03 0.00 0.00 46.19 43.54 1t3i s LEU 390 CO 0.05 -0.71 0.37 -0.47 0.23 0.00 0.00 176.35 175.82 1t3i s TYR 391 N -2.37 1.12 -0.88 0.29 5.04 -1.26 -4.78 117.35 114.51 1t3i s TYR 391 Ca 0.53 -1.30 0.10 0.00 -2.44 0.00 0.00 57.07 53.96 1t3i s TYR 391 Cb -0.08 -0.26 0.46 0.00 0.35 0.00 0.00 41.96 42.42 1t3i s TYR 391 CO 0.32 -0.97 1.32 1.97 -1.34 0.00 0.00 175.55 176.85 1t3i n PHE 392 N -0.50 0.14 1.18 4.97 1.16 -1.26 -1.86 117.46 121.30 1t3i n PHE 392 Ca 0.02 0.06 0.13 0.00 -1.87 0.00 0.00 57.45 55.79 1t3i n PHE 392 Cb 0.63 -0.60 0.34 0.00 -1.61 0.00 0.00 39.48 38.23 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 -1.64 0.08 -2.70 2.97 0.18 -1.26 -3.34 117.16 111.45 1t3i n TYR 393 Ca 0.02 -0.04 -0.28 0.00 1.88 0.00 0.00 57.90 59.47 1t3i n TYR 393 Cb 0.10 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.05 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 -1.89 6.34 0.28 9.48 0.02 -0.78 -4.83 114.94 123.56 1t3i s ASN 394 Ca 0.34 0.98 0.05 0.00 -1.02 0.00 0.00 52.86 53.22 1t3i s ASN 394 Cb 0.20 -2.27 -0.06 0.00 0.02 0.00 0.00 41.25 39.15 1t3i s ASN 394 CO 0.31 -0.52 -0.01 0.42 0.02 0.00 0.00 177.10 177.31 1t3i s THR 395 N -2.63 1.37 0.31 1.60 -4.23 -1.26 -4.69 115.64 106.10 1t3i s THR 395 Ca 0.48 -2.06 0.04 0.00 -1.18 0.00 0.00 61.69 58.97 1t3i s THR 395 Cb -0.10 -2.52 0.10 0.00 1.34 0.00 0.00 72.50 71.32 1t3i s THR 395 CO 0.41 -0.23 1.79 0.11 -0.54 0.00 0.00 174.62 176.16 1t3i h LYS 396 N 2.28 0.46 -0.88 3.99 1.57 -1.99 -2.26 116.57 119.74 1t3i h LYS 396 Ca -0.40 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.23 1t3i h LYS 396 Cb 1.23 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.46 1t3i h LYS 396 CO 0.67 0.62 0.51 0.93 -0.57 0.00 0.00 179.45 181.62 1t3i h GLU 397 N 0.42 1.20 -0.38 3.15 3.07 -1.99 -0.56 114.58 119.48 1t3i h GLU 397 Ca 0.07 -0.12 -0.10 0.00 -0.50 0.00 0.00 59.36 58.72 1t3i h GLU 397 Cb 0.54 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 1t3i h GLU 397 CO 0.04 0.85 -0.16 0.93 -1.40 0.00 0.00 179.01 179.27 1t3i h GLU 398 N 1.21 0.71 -0.72 2.33 5.08 -1.86 -1.31 114.58 120.01 1t3i h GLU 398 Ca 0.31 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1t3i h GLU 398 Cb -0.03 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1t3i h GLU 398 CO -0.06 0.83 0.28 0.82 -1.00 0.00 0.00 179.01 179.88 1t3i h ILE 399 N 0.63 1.25 -0.62 3.13 5.03 -0.82 -0.63 117.51 125.48 1t3i h ILE 399 Ca 0.10 -0.80 -0.07 0.00 -0.12 0.00 0.00 64.86 63.97 1t3i h ILE 399 Cb 0.63 0.43 -0.03 0.00 -3.03 0.00 0.00 36.82 34.82 1t3i h ILE 399 CO 0.04 0.32 0.10 0.44 -0.68 0.00 0.00 178.15 178.37 1t3i h ASP 400 N 1.04 0.97 -0.60 1.72 3.45 -0.69 0.56 116.42 122.86 1t3i h ASP 400 Ca 0.24 -0.22 -0.07 0.00 0.43 0.00 0.00 57.03 57.41 1t3i h ASP 400 Cb 0.23 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.72 1t3i h ASP 400 CO -0.02 0.97 0.13 -0.07 -1.57 0.00 0.00 179.24 178.68 1t3i h LEU 401 N 0.95 0.95 -0.14 1.55 3.38 -0.84 -0.62 115.31 120.55 1t3i h LEU 401 Ca 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1t3i h LEU 401 Cb 0.41 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1t3i h LEU 401 CO 0.01 0.93 0.04 0.15 0.09 0.00 0.00 178.44 179.66 1t3i h PHE 402 N 0.95 0.23 -0.79 1.13 3.57 -0.56 -1.36 116.94 120.12 1t3i h PHE 402 Ca 0.20 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.69 1t3i h PHE 402 Cb 0.37 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1t3i h PHE 402 CO 0.03 0.36 0.52 -0.07 -2.23 0.00 0.00 178.31 176.91 1t3i h LEU 403 N 0.04 0.88 -0.74 0.59 3.38 -0.64 0.36 115.31 119.18 1t3i h LEU 403 Ca 0.04 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1t3i h LEU 403 Cb 0.24 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1t3i h LEU 403 CO -0.00 0.62 0.17 1.56 0.09 0.00 0.00 178.44 180.89 1t3i h GLN 404 N 1.03 1.13 -0.37 1.13 4.20 -0.98 -0.94 115.11 120.31 1t3i h GLN 404 Ca 0.30 -0.27 -0.12 0.00 0.06 0.00 0.00 58.65 58.62 1t3i h GLN 404 Cb -0.06 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 1t3i h GLN 404 CO -0.09 0.99 -0.26 1.03 -0.67 0.00 0.00 178.83 179.84 1t3i h SER 405 N 1.07 0.78 -0.42 1.46 0.87 -0.72 -1.21 113.55 115.38 1t3i h SER 405 Ca 0.22 -0.30 -0.07 0.00 -1.23 0.00 0.00 61.79 60.42 1t3i h SER 405 Cb 0.37 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1t3i h SER 405 CO 0.00 1.01 -0.01 0.25 -0.53 0.00 0.00 176.83 177.55 1t3i h LEU 406 N 0.66 0.73 -0.82 2.23 5.85 -0.64 0.11 115.31 123.43 1t3i h LEU 406 Ca 0.08 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 1t3i h LEU 406 Cb 0.78 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1t3i h LEU 406 CO 0.06 0.87 0.33 1.56 -0.34 0.00 0.00 178.44 180.92 1t3i h GLN 407 N 0.58 1.19 -0.63 1.25 4.20 -1.02 -1.18 115.11 119.51 1t3i h GLN 407 Ca 0.12 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 1t3i h GLN 407 Cb 0.50 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1t3i h GLN 407 CO 0.02 0.96 0.08 0.00 -0.67 0.00 0.00 178.83 179.22 1t3i h ALA 408 N 1.19 0.83 -0.60 3.87 0.00 -0.96 -1.88 119.26 121.71 1t3i h ALA 408 Ca 0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1t3i h ALA 408 Cb 0.20 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1t3i h ALA 408 CO -0.02 0.61 0.33 1.15 0.00 0.00 0.00 179.25 181.32 1t3i h THR 409 N 0.96 1.20 -0.90 0.00 2.02 -0.56 -0.70 112.91 114.93 1t3i h THR 409 Ca 0.19 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1t3i h THR 409 Cb 0.46 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 1t3i h THR 409 CO 0.02 0.22 0.51 0.40 0.37 0.00 0.00 175.52 177.03 1t3i h ILE 410 N 0.82 1.26 -0.56 3.11 2.04 -0.95 -2.24 117.51 120.99 1t3i h ILE 410 Ca 0.21 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 1t3i h ILE 410 Cb 0.05 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.13 1t3i h ILE 410 CO -0.03 0.28 0.23 0.03 0.00 0.00 0.00 178.15 178.65 1t3i h ARG 411 N 1.25 0.83 -0.46 2.37 3.08 -0.72 -2.46 114.38 118.27 1t3i h ARG 411 Ca 0.32 -0.15 0.07 0.00 0.07 0.00 0.00 59.98 60.29 1t3i h ARG 411 Cb 0.00 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 29.85 1t3i h ARG 411 CO -0.05 0.72 0.11 0.35 -1.07 0.00 0.00 179.97 180.02 1t3i h PHE 412 N 0.76 0.18 -0.22 3.04 3.57 -0.58 -2.21 116.94 121.48 1t3i h PHE 412 Ca 0.19 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1t3i h PHE 412 Cb 0.19 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1t3i h PHE 412 CO 0.01 0.03 0.00 1.19 -2.23 0.00 0.00 178.31 177.30 1t3i n PHE 413 N -5.08 0.29 1.16 0.41 3.72 -0.95 -5.12 117.46 111.89 1t3i n PHE 413 Ca 0.04 -0.15 0.13 0.00 -0.05 0.00 0.00 57.45 57.42 1t3i n PHE 413 Cb 0.21 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 38.98 1t3i n PHE 413 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58