#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y65 h LEU 1 N 0.00 -0.99-10.30 2.46 3.38 -1.80 -3.41 115.31 104.65 1y65 h LEU 1 Ca 0.00 0.18 -0.48 0.00 0.09 0.00 0.00 57.88 57.67 1y65 h LEU 1 Cb 0.00 0.48 0.03 0.00 0.09 0.00 0.00 40.66 41.26 1y65 h LEU 1 CO 0.00 -0.30 0.03 -0.83 0.09 0.00 0.00 178.44 177.43 1y65 s GLY 2 N -2.96 1.48 0.43 0.83 0.00 -1.18 0.30 107.32 106.22 1y65 s GLY 2 Ca -0.15 -0.65 0.24 0.00 0.00 0.00 0.00 44.72 44.15 1y65 s GLY 2 CO 0.68 -0.50 1.76 -0.56 0.00 0.00 0.00 173.10 174.49 1y65 h PRO 3 N 0.32 0.00 -5.85 2.90 0.13 -1.62 -2.93 132.00 124.95 1y65 h PRO 3 Ca -0.47 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.08 1y65 h PRO 3 Cb 1.22 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 1y65 h PRO 3 CO 0.61 0.22 0.05 -1.17 -0.23 0.00 0.00 178.00 177.49 1y65 s LEU 4 N -6.61 4.25 -0.19 1.56 2.96 -0.17 -0.78 118.68 119.70 1y65 s LEU 4 Ca 0.02 0.99 -0.10 0.00 -0.22 0.00 0.00 54.13 54.82 1y65 s LEU 4 Cb 0.09 -2.94 -0.05 0.00 0.50 0.00 0.00 46.19 43.79 1y65 s LEU 4 CO 0.65 -0.14 0.15 0.26 -1.32 0.00 0.00 176.35 175.94 1y65 s TRP 5 N 1.13 3.43 0.38 5.38 0.52 0.10 -0.29 118.94 129.58 1y65 s TRP 5 Ca 0.32 0.37 0.05 0.00 0.02 0.00 0.00 56.10 56.86 1y65 s TRP 5 Cb -0.16 -2.17 -0.03 0.00 -1.15 0.00 0.00 33.47 29.96 1y65 s TRP 5 CO 0.14 0.31 0.18 -0.48 0.02 0.00 0.00 176.95 177.12 1y65 s LEU 6 N 0.28 1.89 0.37 2.99 0.05 -0.69 -1.56 118.68 122.01 1y65 s LEU 6 Ca 0.09 -1.71 0.08 0.00 0.05 0.00 0.00 54.13 52.65 1y65 s LEU 6 Cb -0.11 0.14 -0.07 0.00 -2.05 0.00 0.00 46.19 44.09 1y65 s LEU 6 CO -0.01 -0.98 -0.05 1.51 -0.55 0.00 0.00 176.35 176.26 1y65 s ASP 7 N -3.52 3.78 0.29 1.48 3.84 -1.26 -0.90 116.67 120.38 1y65 s ASP 7 Ca 0.30 -1.27 0.10 0.00 -0.00 0.00 0.00 52.55 51.68 1y65 s ASP 7 Cb 0.02 -0.37 -0.05 0.00 -1.38 0.00 0.00 42.92 41.15 1y65 s ASP 7 CO 0.19 -0.30 -0.07 0.68 -0.00 0.00 0.00 175.17 175.66 1y65 s VAL 8 N -2.65 2.92 0.16 2.11 -7.23 -1.26 -4.95 120.40 109.49 1y65 s VAL 8 Ca 0.33 -2.11 -0.01 0.00 -1.81 0.00 0.00 61.98 58.39 1y65 s VAL 8 Cb 0.05 -2.64 -0.15 0.00 0.56 0.00 0.00 36.38 34.21 1y65 s VAL 8 CO 0.17 -0.35 1.37 0.00 -0.31 0.00 0.00 175.10 175.98 1y65 h ALA 9 N 2.01 0.49 -3.00 1.32 0.00 -1.97 -3.47 119.26 114.64 1y65 h ALA 9 Ca -0.42 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 53.80 1y65 h ALA 9 Cb 1.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1y65 h ALA 9 CO 0.62 0.83 0.00 0.41 0.00 0.00 0.00 179.25 181.11 1y65 n GLY 10 N 0.80 4.91 0.14 0.00 0.00 -1.26 -4.77 105.19 105.01 1y65 n GLY 10 Ca -0.05 -0.92 0.08 0.00 0.00 0.00 0.00 46.02 45.13 1y65 n GLY 10 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1y65 h TYR 11 N 0.00 0.00 -3.77 1.61 0.99 -1.81 -3.39 116.97 110.59 1y65 h TYR 11 Ca 0.00 0.00 -0.51 0.00 2.00 0.00 0.00 58.73 60.22 1y65 h TYR 11 Cb 0.00 0.00 -0.21 0.00 1.00 0.00 0.00 36.73 37.52 1y65 h TYR 11 CO 0.00 0.19 -0.80 -1.21 -0.00 0.00 0.00 178.16 176.34 1y65 s GLU 12 N -3.18 1.09 0.20 4.88 2.02 -1.26 -4.64 118.70 117.82 1y65 s GLU 12 Ca 0.02 -1.18 -0.30 0.00 0.02 0.00 0.00 54.97 53.52 1y65 s GLU 12 Cb 0.08 -1.23 -0.09 0.00 0.10 0.00 0.00 34.13 32.99 1y65 s GLU 12 CO 0.76 0.27 1.33 -1.17 0.02 0.00 0.00 175.26 176.47 1y65 s LEU 13 N -2.09 4.41 0.54 1.80 2.96 -1.26 -4.88 118.68 120.16 1y65 s LEU 13 Ca 0.07 2.44 -0.03 0.00 -0.22 0.00 0.00 54.13 56.40 1y65 s LEU 13 Cb -0.09 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 43.00 1y65 s LEU 13 CO 0.04 -0.56 0.80 -0.94 -1.32 0.00 0.00 176.35 174.37 1y65 s SER 14 N 0.37 5.62 0.30 3.68 1.04 -1.26 -4.97 113.70 118.48 1y65 s SER 14 Ca 0.57 0.45 -0.01 0.00 0.48 0.00 0.00 55.95 57.45 1y65 s SER 14 Cb -0.37 -1.52 0.47 0.00 0.10 0.00 0.00 66.02 64.70 1y65 s SER 14 CO 0.39 -0.95 1.91 0.00 0.98 0.00 0.00 173.24 175.57 1y65 h ALA 15 N 0.06 1.35 -0.14 5.32 0.00 -2.00 -1.62 119.26 122.24 1y65 h ALA 15 Ca -0.45 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.21 1y65 h ALA 15 Cb 1.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1y65 h ALA 15 CO 0.58 0.51 -0.44 1.05 0.00 0.00 0.00 179.25 180.95 1y65 h GLU 16 N 0.89 0.32 -0.30 0.00 4.11 -2.00 -2.76 114.58 114.85 1y65 h GLU 16 Ca 0.22 -0.17 0.02 0.00 0.07 0.00 0.00 59.36 59.51 1y65 h GLU 16 Cb 0.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1y65 h GLU 16 CO -0.03 0.71 0.14 -0.44 0.07 0.00 0.00 179.01 179.46 1y65 h ASP 17 N 0.27 0.20 -0.32 3.06 3.32 -1.72 -2.03 116.42 119.19 1y65 h ASP 17 Ca 0.02 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1y65 h ASP 17 Cb 0.89 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.40 1y65 h ASP 17 CO 0.07 0.15 0.20 0.03 -1.72 0.00 0.00 179.24 177.98 1y65 h ARG 18 N 0.30 0.45 0.03 3.56 3.08 -1.16 -0.88 114.38 119.76 1y65 h ARG 18 Ca 0.13 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1y65 h ARG 18 Cb 0.06 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1y65 h ARG 18 CO -0.10 0.31 -0.02 0.93 -1.07 0.00 0.00 179.97 180.03 1y65 h GLU 19 N 0.46 -0.04 -0.09 0.04 5.08 -1.20 -3.33 114.58 115.50 1y65 h GLU 19 Ca 0.12 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 1y65 h GLU 19 Cb -0.02 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1y65 h GLU 19 CO -0.02 0.43 -0.37 0.97 -1.00 0.00 0.00 179.01 179.02 1y65 h ILE 20 N -0.54 1.29 0.00 3.13 2.10 -1.06 -2.19 117.51 120.24 1y65 h ILE 20 Ca -0.00 -1.40 0.00 0.00 1.08 0.00 0.00 64.86 64.54 1y65 h ILE 20 Cb 0.50 1.64 0.00 0.00 -1.09 0.00 0.00 36.82 37.87 1y65 h ILE 20 CO 0.01 0.41 0.00 -0.07 -1.08 0.00 0.00 178.15 177.42 1y65 h LEU 21 N 0.16 0.00 -0.45 2.19 3.38 -1.28 -1.19 115.31 118.12 1y65 h LEU 21 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1y65 h LEU 21 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1y65 h LEU 21 CO 0.06 0.00 -0.16 0.00 0.09 0.00 0.00 178.44 178.42 1y65 n GLN 22 N -3.02 0.90 -2.18 1.13 6.02 -0.82 -4.52 117.38 114.90 1y65 n GLN 22 Ca -0.03 -0.45 -0.42 0.00 -0.01 0.00 0.00 57.00 56.09 1y65 n GLN 22 Cb 0.07 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 1y65 n GLN 22 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1y65 s HIS 23 N -2.41 3.00 0.42 1.08 2.46 -0.45 -4.90 115.29 114.50 1y65 s HIS 23 Ca 0.28 0.85 0.23 0.00 0.47 0.00 0.00 55.06 56.90 1y65 s HIS 23 Cb 0.20 -3.69 1.31 0.00 -0.13 0.00 0.00 32.58 30.27 1y65 s HIS 23 CO 0.47 -2.51 2.04 -1.35 -2.47 0.00 0.00 174.74 170.93 1y65 h PRO 24 N 7.40 0.00 0.00 2.88 0.11 -1.89 -1.41 132.00 139.08 1y65 h PRO 24 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1y65 h PRO 24 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1y65 h PRO 24 CO 0.89 0.15 0.00 1.15 -0.21 0.00 0.00 178.00 179.97 1y65 h THR 25 N 0.00 0.00 -3.16 -1.15 2.02 -1.91 -3.25 112.91 105.47 1y65 h THR 25 Ca -0.00 -0.42 -0.53 0.00 0.77 0.00 0.00 66.41 66.23 1y65 h THR 25 Cb 0.34 1.36 0.02 0.00 -1.74 0.00 0.00 68.15 68.13 1y65 h THR 25 CO 0.02 0.00 0.64 -0.69 0.37 0.00 0.00 175.52 175.86 1y65 s VAL 26 N -3.64 3.59 -0.00 3.16 1.01 -0.53 -1.00 120.40 122.98 1y65 s VAL 26 Ca 0.01 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1y65 s VAL 26 Cb 0.09 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.72 1y65 s VAL 26 CO 0.50 0.11 0.01 0.61 0.00 0.00 0.00 175.10 176.33 1y65 n GLY 27 N 3.15 0.40 3.43 4.51 0.00 0.60 -3.10 105.19 114.19 1y65 n GLY 27 Ca 0.09 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 1y65 n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y65 s GLY 28 N -1.61 -0.59 -0.19 -0.02 0.00 -0.95 -1.38 107.32 102.59 1y65 s GLY 28 Ca -0.00 0.65 -0.03 0.00 0.00 0.00 0.00 44.72 45.34 1y65 s GLY 28 CO 0.01 0.31 -0.06 0.14 0.00 0.00 0.00 173.10 173.50 1y65 s VAL 29 N -3.15 3.36 -0.19 1.40 1.01 0.07 -1.70 120.40 121.21 1y65 s VAL 29 Ca -0.02 -0.52 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 1y65 s VAL 29 Cb -0.01 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1y65 s VAL 29 CO -0.08 0.46 0.43 -0.51 0.00 0.00 0.00 175.10 175.41 1y65 s ILE 30 N 1.03 5.18 0.10 2.22 2.07 -0.08 -1.09 121.20 130.63 1y65 s ILE 30 Ca 0.00 0.79 -0.05 0.00 -1.41 0.00 0.00 60.65 59.99 1y65 s ILE 30 Cb -0.15 -3.76 -0.05 0.00 0.13 0.00 0.00 42.46 38.63 1y65 s ILE 30 CO -0.00 0.25 0.34 -0.76 -1.91 0.00 0.00 174.94 172.85 1y65 s LEU 31 N 1.27 4.31 0.37 8.50 1.43 0.21 -4.35 118.68 130.42 1y65 s LEU 31 Ca 0.21 0.57 0.04 0.00 -1.03 0.00 0.00 54.13 53.91 1y65 s LEU 31 Cb -0.15 -3.11 -0.05 0.00 0.03 0.00 0.00 46.19 42.91 1y65 s LEU 31 CO 0.08 0.12 0.08 -0.36 0.23 0.00 0.00 176.35 176.50 1y65 s PHE 32 N -1.54 1.89 0.32 0.29 0.40 -1.26 -4.40 117.98 113.68 1y65 s PHE 32 Ca 0.37 -1.08 0.07 0.00 -0.60 0.00 0.00 56.93 55.69 1y65 s PHE 32 Cb -0.13 -1.26 0.75 0.00 0.51 0.00 0.00 43.02 42.89 1y65 s PHE 32 CO 0.23 -0.09 1.82 0.78 0.70 0.00 0.00 175.22 178.66 1y65 h GLY 33 N 1.94 1.50 2.00 4.36 0.00 -1.94 -0.86 103.07 110.07 1y65 h GLY 33 Ca -0.39 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1y65 h GLY 33 CO 0.65 0.04 0.00 -0.96 0.00 0.00 0.00 176.54 176.27 1y65 n ARG 34 N -4.64 0.03 0.00 4.80 1.85 -1.26 -1.19 116.66 116.25 1y65 n ARG 34 Ca 0.20 0.31 0.13 0.00 -1.00 0.00 0.00 57.85 57.49 1y65 n ARG 34 Cb 0.51 -1.56 0.35 0.00 -1.05 0.00 0.00 32.46 30.71 1y65 n ARG 34 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1y65 n ASN 35 N -1.62 1.78 -4.13 2.89 4.13 -0.33 -4.28 115.26 113.70 1y65 n ASN 35 Ca 0.03 -1.49 -0.33 0.00 1.68 0.00 0.00 54.58 54.47 1y65 n ASN 35 Cb 0.16 0.07 -0.15 0.00 -1.54 0.00 0.00 39.78 38.31 1y65 n ASN 35 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1y65 s TYR 36 N -2.14 2.95 -0.12 3.10 6.14 -0.33 -4.59 117.35 122.35 1y65 s TYR 36 Ca 0.31 -1.76 -0.07 0.00 0.64 0.00 0.00 57.07 56.19 1y65 s TYR 36 Cb 0.20 -1.95 -0.05 0.00 0.42 0.00 0.00 41.96 40.57 1y65 s TYR 36 CO 0.39 -0.80 -0.17 1.58 0.64 0.00 0.00 175.55 177.18 1y65 n HIS 37 N 4.59 0.00 -3.84 4.97 -0.00 -1.26 -4.98 115.22 114.71 1y65 n HIS 37 Ca -0.18 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.46 1y65 n HIS 37 Cb 0.48 -0.45 -0.02 0.00 -0.00 0.00 0.00 29.99 29.99 1y65 n HIS 37 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 1y65 s ASP 38 N -6.18 -0.27 0.11 0.26 -4.77 -1.26 -4.97 116.67 99.58 1y65 s ASP 38 Ca -0.18 -0.59 -0.21 0.00 -3.30 0.00 0.00 52.55 48.27 1y65 s ASP 38 Cb 0.07 0.71 -0.09 0.00 -1.09 0.00 0.00 42.92 42.51 1y65 s ASP 38 CO 0.23 -1.31 1.74 0.78 0.70 0.00 0.00 175.17 177.31 1y65 h ASN 39 N 2.02 -0.01 -0.62 2.11 2.35 -1.93 -1.14 115.58 118.36 1y65 h ASN 39 Ca -0.21 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1y65 h ASN 39 Cb 1.25 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.62 1y65 h ASN 39 CO 0.25 0.01 0.39 -0.61 -1.65 0.00 0.00 177.43 175.82 1y65 h GLN 40 N 0.05 0.83 -0.74 0.81 4.15 -1.99 -0.85 115.11 117.38 1y65 h GLN 40 Ca 0.04 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 1y65 h GLN 40 Cb 0.04 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 1y65 h GLN 40 CO -0.07 0.58 0.27 0.37 -1.93 0.00 0.00 178.83 178.05 1y65 h GLN 41 N 0.84 1.11 -0.07 1.69 -0.00 -1.86 -0.90 115.11 115.92 1y65 h GLN 41 Ca 0.22 -0.21 -0.01 0.00 -0.00 0.00 0.00 58.65 58.66 1y65 h GLN 41 Cb -0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 27.48 27.25 1y65 h GLN 41 CO -0.04 0.92 0.02 1.25 0.00 0.00 0.00 178.83 180.97 1y65 h LEU 42 N 1.08 0.11 -0.57 -2.39 5.85 -0.92 0.17 115.31 118.65 1y65 h LEU 42 Ca 0.24 -0.22 0.09 0.00 0.84 0.00 0.00 57.88 58.83 1y65 h LEU 42 Cb 0.24 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 1y65 h LEU 42 CO -0.02 0.30 0.19 -0.07 -0.34 0.00 0.00 178.44 178.51 1y65 h LEU 43 N -0.09 0.17 -0.77 2.25 3.38 -0.94 -1.45 115.31 117.87 1y65 h LEU 43 Ca 0.02 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1y65 h LEU 43 Cb 0.23 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1y65 h LEU 43 CO -0.00 0.11 0.23 0.00 0.09 0.00 0.00 178.44 178.88 1y65 h ALA 44 N 1.40 1.00 -0.31 1.53 0.00 -0.94 -1.27 119.26 120.67 1y65 h ALA 44 Ca 0.28 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1y65 h ALA 44 Cb 0.35 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1y65 h ALA 44 CO -0.30 0.67 0.09 1.25 0.00 0.00 0.00 179.25 180.96 1y65 h LEU 45 N 1.11 0.46 -0.49 0.00 5.85 -0.53 -0.92 115.31 120.79 1y65 h LEU 45 Ca 0.24 -0.21 -0.15 0.00 0.84 0.00 0.00 57.88 58.59 1y65 h LEU 45 Cb 0.31 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1y65 h LEU 45 CO -0.01 0.55 -0.43 0.78 -0.34 0.00 0.00 178.44 178.99 1y65 h ASN 46 N 0.34 0.83 -0.45 1.25 2.35 -1.12 -0.07 115.58 118.70 1y65 h ASN 46 Ca 0.10 -0.39 0.01 0.00 -0.55 0.00 0.00 56.30 55.47 1y65 h ASN 46 Cb 0.26 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1y65 h ASN 46 CO -0.00 1.14 0.29 0.50 -1.65 0.00 0.00 177.43 177.71 1y65 h LYS 47 N 0.62 0.57 -0.66 0.81 3.64 -1.14 -1.44 116.57 118.98 1y65 h LYS 47 Ca 0.04 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1y65 h LYS 47 Cb 0.99 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.65 1y65 h LYS 47 CO 0.09 0.38 0.29 0.00 -2.27 0.00 0.00 179.45 177.95 1y65 h ALA 48 N 1.18 0.86 -0.12 5.00 0.00 -0.84 -0.83 119.26 124.50 1y65 h ALA 48 Ca 0.17 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1y65 h ALA 48 Cb -0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1y65 h ALA 48 CO -0.05 0.45 -0.01 0.82 0.00 0.00 0.00 179.25 180.47 1y65 h ILE 49 N 0.93 0.91 -0.34 0.00 2.04 -0.76 -0.20 117.51 120.08 1y65 h ILE 49 Ca 0.22 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 65.99 1y65 h ILE 49 Cb 0.16 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1y65 h ILE 49 CO -0.02 0.01 -0.14 0.03 0.00 0.00 0.00 178.15 178.03 1y65 h ARG 50 N 0.03 0.60 -0.26 2.37 3.08 -0.99 -1.36 114.38 117.85 1y65 h ARG 50 Ca 0.06 -0.19 -0.15 0.00 0.07 0.00 0.00 59.98 59.77 1y65 h ARG 50 Cb 0.07 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 1y65 h ARG 50 CO -0.10 0.72 -0.41 -0.56 -1.07 0.00 0.00 179.97 178.55 1y65 h GLN 51 N 0.55 0.74 -0.66 0.04 -0.00 -0.84 -2.71 115.11 112.23 1y65 h GLN 51 Ca 0.10 -0.45 -0.04 0.00 -0.00 0.00 0.00 58.65 58.26 1y65 h GLN 51 Cb 0.56 0.04 -0.03 0.00 -0.00 0.00 0.00 27.48 28.05 1y65 h GLN 51 CO 0.04 1.07 0.26 0.00 -0.00 0.00 0.00 178.83 180.20 1y65 h ALA 52 N 0.66 0.86 -0.33 0.06 0.00 -0.83 -2.77 119.26 116.91 1y65 h ALA 52 Ca 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1y65 h ALA 52 Cb 1.00 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1y65 h ALA 52 CO 0.09 0.48 0.02 0.00 0.00 0.00 0.00 179.25 179.84 1y65 h ALA 53 N 1.11 1.41 0.00 0.00 0.00 -1.26 -3.41 119.26 117.11 1y65 h ALA 53 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1y65 h ALA 53 Cb 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1y65 h ALA 53 CO -0.02 0.42 0.00 1.63 0.00 0.00 0.00 179.25 181.28 1y65 n LYS 54 N -4.30 0.00 -1.21 0.00 4.01 -1.03 -4.74 118.16 110.89 1y65 n LYS 54 Ca 0.01 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.51 1y65 n LYS 54 Cb 0.23 0.00 0.12 0.00 -0.51 0.00 0.00 35.03 34.87 1y65 n LYS 54 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 1y65 s ARG 55 N 0.00 1.66 0.35 1.97 1.70 -1.26 -4.92 118.95 118.45 1y65 s ARG 55 Ca 0.00 0.99 -0.27 0.00 -0.47 0.00 0.00 55.73 55.98 1y65 s ARG 55 Cb 0.00 -1.84 -0.12 0.00 -0.57 0.00 0.00 34.95 32.42 1y65 s ARG 55 CO 0.00 -2.01 1.08 -2.30 -1.08 0.00 0.00 175.30 171.00 1y65 n PRO 56 N -3.75 1.56 -3.81 3.89 -0.02 -1.26 -4.89 135.00 126.72 1y65 n PRO 56 Ca 0.08 0.55 -0.12 0.00 -2.02 0.00 0.00 63.50 61.99 1y65 n PRO 56 Cb 0.54 -2.05 -0.11 0.00 -0.02 0.00 0.00 33.50 31.86 1y65 n PRO 56 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1y65 s ILE 57 N -1.15 0.03 0.18 4.25 2.07 -1.26 -0.70 121.20 124.63 1y65 s ILE 57 Ca 0.59 -0.28 -0.20 0.00 -1.41 0.00 0.00 60.65 59.36 1y65 s ILE 57 Cb -0.61 -0.40 -0.08 0.00 0.13 0.00 0.00 42.46 41.50 1y65 s ILE 57 CO 0.59 -0.15 0.69 -0.76 -1.91 0.00 0.00 174.94 173.40 1y65 s LEU 58 N -0.54 4.40 -0.13 8.50 1.43 -0.48 -4.59 118.68 127.27 1y65 s LEU 58 Ca -0.06 1.39 0.01 0.00 -1.03 0.00 0.00 54.13 54.43 1y65 s LEU 58 Cb -0.04 -3.41 0.02 0.00 0.03 0.00 0.00 46.19 42.79 1y65 s LEU 58 CO 0.01 0.10 -0.16 -0.63 0.23 0.00 0.00 176.35 175.90 1y65 s ILE 59 N -1.41 1.63 0.23 -0.59 1.01 -1.26 -0.75 121.20 120.06 1y65 s ILE 59 Ca 0.39 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 60.39 1y65 s ILE 59 Cb -0.18 -1.49 -0.05 0.00 0.01 0.00 0.00 42.46 40.75 1y65 s ILE 59 CO 0.21 0.47 -0.04 -0.83 0.00 0.00 0.00 174.94 174.75 1y65 s GLY 60 N 1.13 1.57 -0.09 6.18 0.00 -0.25 -0.62 107.32 115.23 1y65 s GLY 60 Ca -0.03 -1.77 -0.28 0.00 0.00 0.00 0.00 44.72 42.65 1y65 s GLY 60 CO -0.05 -1.71 0.65 0.54 0.00 0.00 0.00 173.10 172.53 1y65 s VAL 61 N -3.28 0.00 -0.97 1.40 0.11 -0.81 -0.62 120.40 116.24 1y65 s VAL 61 Ca 0.27 -0.04 -0.24 0.00 -2.93 0.00 0.00 61.98 59.05 1y65 s VAL 61 Cb 0.04 -0.95 0.05 0.00 -1.53 0.00 0.00 36.38 33.99 1y65 s VAL 61 CO 0.09 -0.02 1.42 -1.81 -3.33 0.00 0.00 175.10 171.44 1y65 s ASP 62 N -0.84 6.45 -0.63 3.54 1.01 -1.26 -1.05 116.67 123.89 1y65 s ASP 62 Ca -0.09 -1.31 0.05 0.00 0.71 0.00 0.00 52.55 51.92 1y65 s ASP 62 Cb -0.02 -2.56 0.18 0.00 1.01 0.00 0.00 42.92 41.53 1y65 s ASP 62 CO 0.07 -1.55 0.48 1.67 0.21 0.00 0.00 175.17 176.06 1y65 n GLN 63 N 8.92 1.52 -0.06 8.23 -0.06 -1.26 -3.25 117.38 131.42 1y65 n GLN 63 Ca 0.28 -4.20 -0.11 0.00 -2.00 0.00 0.00 57.00 50.98 1y65 n GLN 63 Cb 0.51 -2.13 -0.15 0.00 -4.06 0.00 0.00 30.24 24.41 1y65 n GLN 63 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1y65 n GLU 64 N 2.04 0.66 0.00 3.69 1.02 0.42 -4.86 120.64 123.61 1y65 n GLU 64 Ca 0.23 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 1y65 n GLU 64 Cb 0.39 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 1y65 n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y65 n GLY 65 N 1.71 2.46 7.00 0.62 0.00 0.15 -4.67 105.19 112.45 1y65 n GLY 65 Ca -0.26 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.80 1y65 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y65 n GLY 66 N 0.81 3.78 0.25 -0.02 0.00 0.45 -2.24 105.19 108.21 1y65 n GLY 66 Ca 0.00 -0.02 0.17 0.00 0.00 0.00 0.00 46.02 46.17 1y65 n GLY 66 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1y65 h ARG 67 N 0.00 0.00 -3.17 1.61 3.08 -1.91 -3.37 114.38 110.61 1y65 h ARG 67 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 1y65 h ARG 67 Cb 0.00 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.64 1y65 h ARG 67 CO 0.00 0.00 -0.68 0.08 -1.07 0.00 0.00 179.97 178.30 1y65 s VAL 68 N -3.67 2.02 -0.29 2.04 1.01 -0.95 -5.00 120.40 115.55 1y65 s VAL 68 Ca 0.00 -2.99 0.01 0.00 0.00 0.00 0.00 61.98 59.00 1y65 s VAL 68 Cb 0.10 -2.40 0.15 0.00 0.00 0.00 0.00 36.38 34.22 1y65 s VAL 68 CO 0.46 -0.86 0.35 -1.58 0.00 0.00 0.00 175.10 173.47 1y65 s GLN 69 N -0.03 0.37 0.28 2.72 0.74 -1.26 -0.43 119.66 122.04 1y65 s GLN 69 Ca 0.18 0.02 0.05 0.00 0.05 0.00 0.00 55.36 55.67 1y65 s GLN 69 Cb -0.24 -0.49 0.40 0.00 1.10 0.00 0.00 33.01 33.78 1y65 s GLN 69 CO -0.01 -1.01 1.66 0.00 -0.55 0.00 0.00 175.29 175.39 1y65 h ARG 70 N 8.21 0.27 -4.70 1.67 2.47 -1.94 -3.39 114.38 116.97 1y65 h ARG 70 Ca -0.11 -0.14 -0.69 0.00 -1.26 0.00 0.00 59.98 57.78 1y65 h ARG 70 Cb 1.10 0.00 -0.30 0.00 -1.65 0.00 0.00 29.97 29.12 1y65 h ARG 70 CO 0.30 0.67 -0.64 -0.06 0.56 0.00 0.00 179.97 180.80 1y65 s PHE 71 N -4.08 3.27 0.02 3.04 2.99 -1.26 -4.49 117.98 117.48 1y65 s PHE 71 Ca -0.05 -1.63 -0.03 0.00 0.00 0.00 0.00 56.93 55.22 1y65 s PHE 71 Cb 0.13 -2.27 -0.01 0.00 0.00 0.00 0.00 43.02 40.86 1y65 s PHE 71 CO 0.78 -0.77 -0.07 0.54 -0.00 0.00 0.00 175.22 175.70 1y65 n ARG 72 N 4.74 0.10 -1.75 0.44 1.74 -1.26 -4.76 116.66 115.91 1y65 n ARG 72 Ca -0.12 0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.58 1y65 n ARG 72 Cb 0.44 -0.68 -0.03 0.00 -1.02 0.00 0.00 32.46 31.17 1y65 n ARG 72 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1y65 s GLU 73 N -2.15 4.06 0.00 5.56 2.02 -1.26 -1.13 118.70 125.80 1y65 s GLU 73 Ca -0.06 2.46 0.00 0.00 0.02 0.00 0.00 54.97 57.39 1y65 s GLU 73 Cb 0.01 -4.14 0.00 0.00 0.10 0.00 0.00 34.13 30.10 1y65 s GLU 73 CO 0.08 -1.03 0.00 0.41 0.02 0.00 0.00 175.26 174.74 1y65 n GLY 74 N 4.56 0.88 3.64 -1.39 0.00 -1.26 -4.68 105.19 106.94 1y65 n GLY 74 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1y65 n GLY 74 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1y65 s PHE 75 N -2.85 2.69 0.22 1.61 0.40 -0.28 -4.97 117.98 114.81 1y65 s PHE 75 Ca 0.00 -0.22 -0.30 0.00 -0.60 0.00 0.00 56.93 55.81 1y65 s PHE 75 Cb 0.00 -1.19 -0.10 0.00 0.51 0.00 0.00 43.02 42.24 1y65 s PHE 75 CO 0.00 0.62 1.41 -1.12 0.70 0.00 0.00 175.22 176.83 1y65 s SER 76 N -3.64 6.73 0.08 1.36 0.01 -1.26 -4.91 113.70 112.07 1y65 s SER 76 Ca 0.31 2.57 -0.31 0.00 1.31 0.00 0.00 55.95 59.83 1y65 s SER 76 Cb -0.06 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.49 1y65 s SER 76 CO 0.20 -0.65 1.24 -0.60 0.41 0.00 0.00 173.24 173.83 1y65 s ARG 77 N -0.14 4.41 -0.13 12.44 6.06 -1.26 -4.98 118.95 135.35 1y65 s ARG 77 Ca 0.59 1.85 -0.05 0.00 -2.50 0.00 0.00 55.73 55.62 1y65 s ARG 77 Cb -0.40 -3.32 -0.04 0.00 0.06 0.00 0.00 34.95 31.26 1y65 s ARG 77 CO 0.40 -0.28 0.05 0.42 -2.50 0.00 0.00 175.30 173.39 1y65 s ILE 78 N 0.97 4.69 0.84 4.11 -1.09 -1.26 -4.53 121.20 124.93 1y65 s ILE 78 Ca 0.59 -0.09 -0.11 0.00 -2.23 0.00 0.00 60.65 58.81 1y65 s ILE 78 Cb -0.31 -3.05 0.09 0.00 -1.58 0.00 0.00 42.46 37.62 1y65 s ILE 78 CO 0.30 0.55 1.10 -2.16 -1.23 0.00 0.00 174.94 173.49 1y65 s PRO 79 N -0.38 1.74 0.41 2.79 0.04 -1.26 -0.41 135.00 137.92 1y65 s PRO 79 Ca 0.09 0.72 -0.25 0.00 0.04 0.00 0.00 61.00 61.60 1y65 s PRO 79 Cb -0.12 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 1y65 s PRO 79 CO 0.02 -1.88 1.12 -2.30 0.04 0.00 0.00 177.00 173.99 1y65 n PRO 80 N -3.62 1.59 0.09 0.56 -0.02 -1.26 -2.82 135.00 129.51 1y65 n PRO 80 Ca 0.07 0.57 0.13 0.00 -2.02 0.00 0.00 63.50 62.24 1y65 n PRO 80 Cb 0.56 -2.16 0.62 0.00 -0.02 0.00 0.00 33.50 32.50 1y65 n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y65 h ALA 81 N 1.81 2.16 -0.74 3.55 0.00 -1.76 -1.72 119.26 122.56 1y65 h ALA 81 Ca -0.45 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.57 1y65 h ALA 81 Cb 1.32 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 1y65 h ALA 81 CO 0.58 -0.24 0.49 0.37 0.00 0.00 0.00 179.25 180.45 1y65 h GLN 82 N 0.11 0.50 -0.35 0.00 4.15 -0.77 -3.23 115.11 115.52 1y65 h GLN 82 Ca 0.15 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.47 1y65 h GLN 82 Cb 0.46 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 1y65 h GLN 82 CO -0.02 0.33 -0.09 1.88 -1.93 0.00 0.00 178.83 179.01 1y65 h TYR 83 N 0.52 0.62 -0.42 3.99 -1.99 -1.60 -3.25 116.97 114.83 1y65 h TYR 83 Ca 0.35 -0.09 0.08 0.00 2.00 0.00 0.00 58.73 61.07 1y65 h TYR 83 Cb 0.66 -0.17 -0.08 0.00 2.00 0.00 0.00 36.73 39.15 1y65 h TYR 83 CO -0.00 0.65 -0.07 1.88 -0.00 0.00 0.00 178.16 180.63 1y65 h TYR 84 N 0.54 -0.15 0.00 4.88 -1.99 -1.75 -0.80 116.97 117.71 1y65 h TYR 84 Ca 0.10 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.87 1y65 h TYR 84 Cb 0.47 0.13 0.00 0.00 2.00 0.00 0.00 36.73 39.33 1y65 h TYR 84 CO 0.02 -0.15 0.00 0.00 -0.00 0.00 0.00 178.16 178.03 1y65 n ALA 85 N -2.68 1.51 0.19 3.88 0.00 -1.23 -1.77 120.51 120.41 1y65 n ALA 85 Ca 0.03 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.67 1y65 n ALA 85 Cb 0.23 -1.33 0.12 0.00 0.00 0.00 0.00 19.45 18.47 1y65 n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y65 h ARG 86 N 0.00 0.00 -7.12 0.00 3.08 -1.27 -3.47 114.38 105.60 1y65 h ARG 86 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 1y65 h ARG 86 Cb 0.26 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.33 1y65 h ARG 86 CO 0.00 0.00 0.31 0.00 -1.07 0.00 0.00 179.97 179.21 1y65 s ALA 87 N -3.25 3.15 0.39 0.04 0.00 -0.73 -4.98 121.76 116.38 1y65 s ALA 87 Ca 0.05 0.03 0.13 0.00 0.00 0.00 0.00 51.96 52.17 1y65 s ALA 87 Cb 0.06 -3.00 0.79 0.00 0.00 0.00 0.00 23.12 20.97 1y65 s ALA 87 CO 0.70 -0.24 1.87 1.05 0.00 0.00 0.00 175.76 179.14 1y65 h GLU 88 N 0.82 0.00 -2.10 0.00 4.11 -1.89 -3.09 114.58 112.43 1y65 h GLU 88 Ca -0.47 -0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.34 1y65 h GLU 88 Cb 1.19 -0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.04 1y65 h GLU 88 CO 0.62 0.32 -0.38 0.27 0.07 0.00 0.00 179.01 179.92 1y65 n ASN 89 N -4.15 5.04 -0.21 3.06 2.04 -1.26 -4.92 115.26 114.85 1y65 n ASN 89 Ca -0.02 -3.70 -0.09 0.00 -0.44 0.00 0.00 54.58 50.33 1y65 n ASN 89 Cb 0.37 -0.64 0.02 0.00 -2.53 0.00 0.00 39.78 37.00 1y65 n ASN 89 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 1y65 h GLY 90 N 3.04 1.07 0.98 4.83 0.00 -1.64 -1.10 103.07 110.25 1y65 h GLY 90 Ca 0.24 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 1y65 h GLY 90 CO 0.90 0.68 0.00 -2.08 0.00 0.00 0.00 176.54 176.04 1y65 h VAL 91 N 0.89 1.26 -0.34 4.60 2.07 -1.90 0.29 116.25 123.12 1y65 h VAL 91 Ca 0.18 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.67 1y65 h VAL 91 Cb 0.45 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1y65 h VAL 91 CO 0.02 0.36 0.21 -0.08 0.02 0.00 0.00 177.57 178.10 1y65 h GLU 92 N 0.63 0.43 -0.26 1.57 4.81 -1.92 -2.86 114.58 116.97 1y65 h GLU 92 Ca 0.13 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 1y65 h GLU 92 Cb 0.49 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1y65 h GLU 92 CO 0.02 0.28 -0.40 -0.07 -0.73 0.00 0.00 179.01 178.11 1y65 h LEU 93 N 0.44 0.66 -1.10 1.64 3.38 -0.97 -2.95 115.31 116.41 1y65 h LEU 93 Ca 0.13 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.86 1y65 h LEU 93 Cb -0.03 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.47 1y65 h LEU 93 CO -0.04 0.99 0.61 0.00 0.09 0.00 0.00 178.44 180.09 1y65 h ALA 94 N 1.05 1.46 -0.39 1.53 0.00 -0.28 0.71 119.26 123.33 1y65 h ALA 94 Ca 0.04 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1y65 h ALA 94 Cb 0.92 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1y65 h ALA 94 CO 0.08 0.42 -0.17 1.49 0.00 0.00 0.00 179.25 181.07 1y65 h GLU 95 N 1.11 0.73 -0.61 0.00 4.81 -1.42 -1.34 114.58 117.85 1y65 h GLU 95 Ca 0.40 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1y65 h GLU 95 Cb 0.14 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1y65 h GLU 95 CO -0.14 0.86 0.22 1.96 -0.73 0.00 0.00 179.01 181.18 1y65 h GLN 96 N 0.66 0.93 -0.20 1.92 4.20 -1.15 -0.76 115.11 120.70 1y65 h GLN 96 Ca 0.10 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1y65 h GLN 96 Cb 0.65 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1y65 h GLN 96 CO 0.05 0.80 0.11 0.78 -0.67 0.00 0.00 178.83 179.90 1y65 h GLY 97 N 0.86 0.30 0.87 3.46 0.00 -0.65 0.62 103.07 108.52 1y65 h GLY 97 Ca 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 1y65 h GLY 97 CO -0.01 0.13 -0.00 -1.33 0.00 0.00 0.00 176.54 175.32 1y65 h GLY 98 N 0.22 0.53 0.88 4.60 0.00 -1.22 -0.99 103.07 107.09 1y65 h GLY 98 Ca 0.07 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.02 1y65 h GLY 98 CO -0.01 0.36 -0.06 -0.25 0.00 0.00 0.00 176.54 176.58 1y65 h TRP 99 N 0.27 -0.15 -0.19 5.60 7.01 -1.09 -1.49 115.95 125.91 1y65 h TRP 99 Ca 0.08 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 1y65 h TRP 99 Cb 0.43 0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 1y65 h TRP 99 CO 0.04 -0.09 0.12 1.25 -2.79 0.00 0.00 178.44 176.96 1y65 h LEU 100 N -0.12 0.23 0.00 0.65 5.85 -0.83 0.12 115.31 121.21 1y65 h LEU 100 Ca 0.02 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.72 1y65 h LEU 100 Cb 0.13 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1y65 h LEU 100 CO -0.04 0.21 -0.20 -0.03 -0.34 0.00 0.00 178.44 178.03 1y65 h MET 101 N 0.23 -0.32 -0.38 1.25 4.05 -1.14 -1.92 114.93 116.70 1y65 h MET 101 Ca 0.07 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.48 1y65 h MET 101 Cb 0.02 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 1y65 h MET 101 CO -0.01 -0.21 0.11 0.00 0.23 0.00 0.00 176.91 177.03 1y65 h ALA 102 N 0.56 0.50 -0.22 0.39 0.00 -1.14 -2.64 119.26 116.70 1y65 h ALA 102 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1y65 h ALA 102 Cb 0.40 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1y65 h ALA 102 CO -0.19 0.15 0.15 0.00 0.00 0.00 0.00 179.25 179.36 1y65 h ALA 103 N 0.96 0.28 -0.34 0.00 0.00 -0.64 -0.95 119.26 118.58 1y65 h ALA 103 Ca 0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1y65 h ALA 103 Cb 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1y65 h ALA 103 CO -0.00 -0.24 -0.06 0.93 0.00 0.00 0.00 179.25 179.88 1y65 h GLU 104 N 0.30 0.56 -0.04 0.00 5.08 -1.35 -0.19 114.58 118.93 1y65 h GLU 104 Ca 0.08 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1y65 h GLU 104 Cb -0.03 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1y65 h GLU 104 CO -0.02 0.63 0.01 -0.07 -1.00 0.00 0.00 179.01 178.56 1y65 h LEU 105 N 0.52 0.07 -0.75 1.33 3.38 -1.13 -2.85 115.31 115.88 1y65 h LEU 105 Ca 0.10 -0.24 0.11 0.00 0.09 0.00 0.00 57.88 57.94 1y65 h LEU 105 Cb 0.43 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.09 1y65 h LEU 105 CO 0.02 0.30 0.37 0.40 0.09 0.00 0.00 178.44 179.62 1y65 h ILE 106 N -0.16 0.81 -0.03 1.22 2.04 -1.04 0.11 117.51 120.46 1y65 h ILE 106 Ca 0.01 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.68 1y65 h ILE 106 Cb 0.26 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1y65 h ILE 106 CO 0.00 0.11 0.09 0.00 0.00 0.00 0.00 178.15 178.35 1y65 h ALA 107 N 1.47 1.28 -0.31 1.87 0.00 -0.95 -1.19 119.26 121.44 1y65 h ALA 107 Ca 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1y65 h ALA 107 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1y65 h ALA 107 CO -0.30 -0.10 0.00 0.72 0.00 0.00 0.00 179.25 179.57 1y65 n HIS 108 N -3.30 1.04 -2.80 0.00 8.25 -0.03 -4.14 115.22 114.24 1y65 n HIS 108 Ca -0.02 -0.83 -0.11 0.00 -0.26 0.00 0.00 57.72 56.50 1y65 n HIS 108 Cb 0.17 -0.31 0.03 0.00 1.12 0.00 0.00 29.99 30.99 1y65 n HIS 108 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1y65 n ASP 109 N -0.27 -3.92 -4.59 0.41 4.64 -0.45 -4.47 116.55 107.90 1y65 n ASP 109 Ca 0.21 -0.19 -0.34 0.00 -1.38 0.00 0.00 54.79 53.09 1y65 n ASP 109 Cb 0.89 -2.68 -0.11 0.00 -1.04 0.00 0.00 41.12 38.18 1y65 n ASP 109 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1y65 s VAL 110 N -2.97 4.00 0.06 5.18 1.01 -0.83 -4.91 120.40 121.95 1y65 s VAL 110 Ca 0.20 -0.35 -0.15 0.00 0.00 0.00 0.00 61.98 61.68 1y65 s VAL 110 Cb -0.09 -2.70 -0.20 0.00 0.00 0.00 0.00 36.38 33.39 1y65 s VAL 110 CO 0.25 0.56 1.21 0.44 0.00 0.00 0.00 175.10 177.56 1y65 h ASP 111 N 5.75 0.80 -5.00 3.32 5.19 -1.18 -3.30 116.42 122.00 1y65 h ASP 111 Ca -0.43 -0.70 -0.05 0.00 -0.62 0.00 0.00 57.03 55.24 1y65 h ASP 111 Cb 1.18 -0.24 -0.16 0.00 0.18 0.00 0.00 39.33 40.29 1y65 h ASP 111 CO 0.57 1.39 0.19 -1.48 -3.12 0.00 0.00 179.24 176.79 1y65 s LEU 112 N -8.32 -0.59 -0.11 1.55 0.05 -0.97 -4.41 118.68 105.88 1y65 s LEU 112 Ca -0.11 0.43 -0.01 0.00 0.05 0.00 0.00 54.13 54.48 1y65 s LEU 112 Cb 0.06 2.54 -0.03 0.00 -2.05 0.00 0.00 46.19 46.71 1y65 s LEU 112 CO 0.88 -0.75 -0.05 -0.55 -0.55 0.00 0.00 176.35 175.34 1y65 s SER 113 N -1.80 4.73 -1.19 1.48 0.15 -1.26 -1.91 113.70 113.90 1y65 s SER 113 Ca -0.06 -0.07 -0.21 0.00 0.70 0.00 0.00 55.95 56.31 1y65 s SER 113 Cb -0.00 -1.49 -0.04 0.00 -1.71 0.00 0.00 66.02 62.77 1y65 s SER 113 CO 0.01 0.27 1.89 0.49 1.20 0.00 0.00 173.24 177.10 1y65 n PHE 114 N 2.85 3.24 -3.51 3.44 3.01 -0.21 -4.53 117.46 121.74 1y65 n PHE 114 Ca -0.18 -1.98 -0.15 0.00 1.01 0.00 0.00 57.45 56.16 1y65 n PHE 114 Cb 0.53 -2.52 -0.04 0.00 -0.01 0.00 0.00 39.48 37.43 1y65 n PHE 114 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y65 s ALA 115 N 7.99 -1.54 0.26 4.37 0.00 -1.23 -4.68 121.76 126.93 1y65 s ALA 115 Ca 0.62 0.78 0.01 0.00 0.00 0.00 0.00 51.96 53.37 1y65 s ALA 115 Cb 0.03 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 1y65 s ALA 115 CO 0.11 -0.55 0.44 -1.25 0.00 0.00 0.00 175.76 174.51 1y65 s PRO 116 N -2.48 3.49 -0.01 0.00 0.04 -0.82 -1.65 135.00 133.58 1y65 s PRO 116 Ca -0.05 -0.43 -0.30 0.00 0.04 0.00 0.00 61.00 60.26 1y65 s PRO 116 Cb -0.01 -2.79 -0.06 0.00 0.04 0.00 0.00 34.50 31.69 1y65 s PRO 116 CO -0.02 0.32 1.44 0.08 0.04 0.00 0.00 177.00 178.86 1y65 s VAL 117 N -2.05 3.66 -0.70 -0.36 1.01 -1.26 -2.16 120.40 118.54 1y65 s VAL 117 Ca 0.38 1.03 0.08 0.00 0.00 0.00 0.00 61.98 63.46 1y65 s VAL 117 Cb -0.10 -3.66 0.21 0.00 0.00 0.00 0.00 36.38 32.82 1y65 s VAL 117 CO 0.31 -0.01 1.14 0.18 0.00 0.00 0.00 175.10 176.72 1y65 n LEU 118 N 5.60 2.57 -4.74 3.92 4.77 0.17 -4.56 117.00 124.73 1y65 n LEU 118 Ca 0.14 -1.90 -0.34 0.00 -0.03 0.00 0.00 56.01 53.87 1y65 n LEU 118 Cb 0.43 -0.15 0.07 0.00 -2.33 0.00 0.00 43.42 41.44 1y65 n LEU 118 CO 0.59 0.64 0.79 -1.81 -1.33 0.00 0.00 177.39 176.26 1y65 s ASP 119 N -0.97 4.62 -0.15 -1.43 1.01 -1.23 -4.81 116.67 113.71 1y65 s ASP 119 Ca 0.16 2.26 0.01 0.00 0.71 0.00 0.00 52.55 55.69 1y65 s ASP 119 Cb 0.08 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.44 1y65 s ASP 119 CO 0.11 -1.97 -0.17 -0.32 0.21 0.00 0.00 175.17 173.02 1y65 s MET 120 N -3.86 3.15 0.00 8.23 -2.45 -1.26 -4.37 119.30 118.73 1y65 s MET 120 Ca 0.73 -0.78 0.00 0.00 -1.25 0.00 0.00 55.69 54.38 1y65 s MET 120 Cb -0.27 -2.57 0.00 0.00 1.25 0.00 0.00 34.83 33.25 1y65 s MET 120 CO 0.42 -0.00 0.00 0.41 1.05 0.00 0.00 175.02 176.90 1y65 n GLY 121 N 4.09 2.14 0.21 2.11 0.00 -0.56 -4.13 105.19 109.04 1y65 n GLY 121 Ca -0.19 -1.96 0.03 0.00 0.00 0.00 0.00 46.02 43.90 1y65 n GLY 121 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1y65 n PHE 122 N 1.38 0.00 0.47 1.61 0.99 -1.26 -4.54 117.46 116.11 1y65 n PHE 122 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.58 1y65 n PHE 122 Cb 0.00 0.00 0.39 0.00 -1.00 0.00 0.00 39.48 38.87 1y65 n PHE 122 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1y65 h ALA 123 N 1.23 1.00 -1.96 4.37 0.00 -1.89 -3.31 119.26 118.70 1y65 h ALA 123 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 1y65 h ALA 123 Cb 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.94 1y65 h ALA 123 CO 0.00 0.00 0.58 0.00 0.00 0.00 0.00 179.25 179.83 1y65 h LYS 125 N 8.89 0.04 0.00 0.00 -0.00 -1.85 0.21 116.57 123.87 1y65 h LYS 125 Ca -0.24 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.37 1y65 h LYS 125 Cb 1.08 -0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 33.29 1y65 h LYS 125 CO 1.01 0.02 -0.19 0.00 -0.00 0.00 0.00 179.45 180.30 1y65 h ALA 126 N 1.96 1.35 -0.29 0.07 0.00 -1.94 -3.35 119.26 117.06 1y65 h ALA 126 Ca 0.67 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1y65 h ALA 126 Cb 1.51 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1y65 h ALA 126 CO -0.84 0.24 0.00 -0.89 0.00 0.00 0.00 179.25 177.76 1y65 n ILE 127 N -3.82 0.00 0.00 0.00 2.08 0.33 -4.95 119.36 112.99 1y65 n ILE 127 Ca -0.02 0.45 0.00 0.00 0.56 0.00 0.00 62.75 63.74 1y65 n ILE 127 Cb 0.29 -1.45 0.00 0.00 -0.75 0.00 0.00 39.64 37.73 1y65 n ILE 127 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1y65 n GLY 128 N 1.61 3.60 0.00 7.39 0.00 0.48 -1.74 105.19 116.53 1y65 n GLY 128 Ca 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.01 1y65 n GLY 128 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1y65 n ASN 129 N 5.00 0.00 0.25 1.61 0.23 -1.26 -2.47 115.26 118.61 1y65 n ASN 129 Ca 0.00 -1.19 0.16 0.00 -0.53 0.00 0.00 54.58 53.02 1y65 n ASN 129 Cb 0.00 0.00 0.63 0.00 -2.08 0.00 0.00 39.78 38.33 1y65 n ASN 129 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1y65 h ARG 130 N 0.00 0.00 -6.79 -3.83 3.08 -1.71 -2.38 114.38 102.75 1y65 h ARG 130 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 1y65 h ARG 130 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1y65 h ARG 130 CO 0.00 0.00 0.26 0.00 -1.07 0.00 0.00 179.97 179.16 1y65 s ALA 131 N -3.58 3.26 -0.80 0.04 0.00 -1.03 -4.54 121.76 115.12 1y65 s ALA 131 Ca 0.02 0.37 0.25 0.00 0.00 0.00 0.00 51.96 52.60 1y65 s ALA 131 Cb 0.09 -3.04 0.94 0.00 0.00 0.00 0.00 23.12 21.10 1y65 s ALA 131 CO 0.52 0.23 1.76 1.19 0.00 0.00 0.00 175.76 179.46 1y65 n PHE 132 N 0.45 0.51 0.00 0.00 3.01 -1.26 -1.63 117.46 118.54 1y65 n PHE 132 Ca 0.01 0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.64 1y65 n PHE 132 Cb 0.51 -0.77 0.00 0.00 -0.01 0.00 0.00 39.48 39.21 1y65 n PHE 132 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1y65 n GLY 133 N 0.90 -0.90 0.01 1.37 0.00 -1.26 -4.57 105.19 100.73 1y65 n GLY 133 Ca 0.05 -1.10 0.01 0.00 0.00 0.00 0.00 46.02 44.98 1y65 n GLY 133 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1y65 n GLU 134 N -0.32 2.78 -4.25 1.61 0.28 -1.26 -1.50 120.64 117.98 1y65 n GLU 134 Ca 0.00 -1.54 -0.14 0.00 -0.16 0.00 0.00 57.16 55.32 1y65 n GLU 134 Cb 0.00 -1.02 -0.10 0.00 1.43 0.00 0.00 31.44 31.75 1y65 n GLU 134 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1y65 s ASP 135 N -1.10 0.85 0.10 -1.84 -4.77 -1.26 -4.52 116.67 104.14 1y65 s ASP 135 Ca 0.02 -1.30 -0.20 0.00 -3.30 0.00 0.00 52.55 47.77 1y65 s ASP 135 Cb 0.02 0.21 -0.08 0.00 -1.09 0.00 0.00 42.92 41.99 1y65 s ASP 135 CO 0.00 -0.71 1.68 0.58 0.70 0.00 0.00 175.17 177.43 1y65 h VAL 136 N 2.59 1.13 -0.46 2.11 2.07 -1.94 -2.18 116.25 119.56 1y65 h VAL 136 Ca -0.37 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 1y65 h VAL 136 Cb 1.23 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1y65 h VAL 136 CO 0.59 0.12 -0.01 -0.61 0.02 0.00 0.00 177.57 177.68 1y65 h GLN 137 N 0.22 0.83 -0.43 1.57 5.75 -1.98 0.11 115.11 121.17 1y65 h GLN 137 Ca 0.07 -0.27 -0.01 0.00 -0.15 0.00 0.00 58.65 58.30 1y65 h GLN 137 Cb 0.10 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 1y65 h GLN 137 CO -0.01 0.89 0.24 1.15 -2.65 0.00 0.00 178.83 178.45 1y65 h THR 138 N 0.67 1.15 -0.22 2.39 2.02 -1.92 0.11 112.91 117.11 1y65 h THR 138 Ca 0.13 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1y65 h THR 138 Cb 0.52 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1y65 h THR 138 CO 0.03 0.16 0.10 0.58 0.37 0.00 0.00 175.52 176.76 1y65 h VAL 139 N 0.56 1.14 -0.46 3.16 2.07 -1.16 -2.65 116.25 118.91 1y65 h VAL 139 Ca 0.15 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1y65 h VAL 139 Cb 0.04 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1y65 h VAL 139 CO -0.03 0.14 0.21 -0.07 0.02 0.00 0.00 177.57 177.84 1y65 h LEU 140 N 0.22 0.62 -0.16 2.57 3.38 -0.52 -0.68 115.31 120.75 1y65 h LEU 140 Ca 0.08 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1y65 h LEU 140 Cb 0.13 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1y65 h LEU 140 CO -0.01 0.60 0.02 0.50 0.09 0.00 0.00 178.44 179.64 1y65 h LYS 141 N 0.61 0.08 0.13 1.13 3.64 -0.70 -0.67 116.57 120.79 1y65 h LYS 141 Ca 0.16 -0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.22 1y65 h LYS 141 Cb 0.15 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1y65 h LYS 141 CO -0.02 0.05 -1.55 0.45 -2.27 0.00 0.00 179.45 176.12 1y65 h HIS 142 N 0.08 0.51 -0.51 1.91 3.86 -1.47 -3.03 115.15 116.50 1y65 h HIS 142 Ca 0.07 -0.37 -0.12 0.00 -1.16 0.00 0.00 60.37 58.79 1y65 h HIS 142 Cb 0.07 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 1y65 h HIS 142 CO -0.14 1.42 -0.14 0.66 0.86 0.00 0.00 177.93 180.59 1y65 h SER 143 N 0.08 1.00 -0.94 2.45 4.64 -1.14 -1.84 113.55 117.80 1y65 h SER 143 Ca -0.25 -0.34 0.05 0.00 -0.47 0.00 0.00 61.79 60.77 1y65 h SER 143 Cb 2.03 -0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 63.79 1y65 h SER 143 CO 0.17 1.13 0.60 0.28 -0.87 0.00 0.00 176.83 178.14 1y65 h SER 144 N 0.87 0.98 -0.26 4.97 0.02 -1.20 -0.19 113.55 118.75 1y65 h SER 144 Ca 0.13 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1y65 h SER 144 Cb 0.71 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1y65 h SER 144 CO 0.05 0.65 0.11 0.00 -1.14 0.00 0.00 176.83 176.51 1y65 h ALA 145 N 1.40 0.33 -0.47 3.77 0.00 -1.39 -0.89 119.26 122.03 1y65 h ALA 145 Ca 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1y65 h ALA 145 Cb 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1y65 h ALA 145 CO -0.14 -0.09 0.29 0.35 0.00 0.00 0.00 179.25 179.66 1y65 h PHE 146 N 0.27 0.60 -0.54 0.00 3.57 -1.00 -1.99 116.94 117.85 1y65 h PHE 146 Ca 0.09 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.64 1y65 h PHE 146 Cb 0.15 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 1y65 h PHE 146 CO -0.02 0.40 0.28 -0.07 -2.23 0.00 0.00 178.31 176.68 1y65 h LEU 147 N 0.62 0.42 -1.08 0.59 3.38 -0.87 -1.75 115.31 116.62 1y65 h LEU 147 Ca 0.17 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.24 1y65 h LEU 147 Cb -0.04 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 1y65 h LEU 147 CO -0.03 0.28 0.62 0.03 0.09 0.00 0.00 178.44 179.43 1y65 h ARG 148 N 0.55 1.05 -0.17 1.13 3.08 -0.77 -0.17 114.38 119.07 1y65 h ARG 148 Ca 0.24 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 1y65 h ARG 148 Cb 0.13 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1y65 h ARG 148 CO -0.16 0.70 0.03 0.78 -1.07 0.00 0.00 179.97 180.25 1y65 h GLY 149 N 1.08 0.31 0.62 0.04 0.00 -0.81 -1.12 103.07 103.19 1y65 h GLY 149 Ca 0.42 -0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.59 1y65 h GLY 149 CO -0.17 0.19 0.05 -0.33 0.00 0.00 0.00 176.54 176.29 1y65 h MET 150 N 0.08 0.16 -0.55 4.80 2.86 -0.91 -3.00 114.93 118.37 1y65 h MET 150 Ca 0.05 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1y65 h MET 150 Cb 0.31 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 1y65 h MET 150 CO 0.00 0.10 0.31 -0.22 1.06 0.00 0.00 176.91 178.17 1y65 h LYS 151 N 0.16 0.59 -0.77 1.72 3.64 -0.95 -2.46 116.57 118.50 1y65 h LYS 151 Ca 0.14 -0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.67 1y65 h LYS 151 Cb 0.16 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 1y65 h LYS 151 CO -0.20 0.39 0.52 0.00 -2.27 0.00 0.00 179.45 177.89 1y65 h ALA 152 N 1.27 2.30 -0.39 5.00 0.00 -1.05 -0.22 119.26 126.17 1y65 h ALA 152 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1y65 h ALA 152 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1y65 h ALA 152 CO -0.13 -0.52 0.00 1.33 0.00 0.00 0.00 179.25 179.93 1y65 n VAL 153 N -4.44 0.50 -0.78 0.00 0.24 -1.03 -4.97 118.33 107.85 1y65 n VAL 153 Ca 0.15 -0.72 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 1y65 n VAL 153 Cb 0.64 0.88 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 1y65 n VAL 153 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1y65 n GLY 154 N 1.48 0.73 3.75 7.63 0.00 -0.09 -4.26 105.19 114.42 1y65 n GLY 154 Ca 0.19 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 1y65 n GLY 154 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1y65 s MET 155 N -1.67 4.12 0.57 1.61 -2.45 -0.96 -1.03 119.30 119.50 1y65 s MET 155 Ca 0.00 -0.18 -0.19 0.00 -1.25 0.00 0.00 55.69 54.07 1y65 s MET 155 Cb 0.00 -3.40 -0.05 0.00 1.25 0.00 0.00 34.83 32.64 1y65 s MET 155 CO 0.00 0.35 1.16 0.00 1.05 0.00 0.00 175.02 177.57 1y65 s ALA 156 N 0.22 2.62 0.06 4.11 0.00 -1.26 -4.06 121.76 123.44 1y65 s ALA 156 Ca 0.10 0.88 0.06 0.00 0.00 0.00 0.00 51.96 52.99 1y65 s ALA 156 Cb -0.11 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 1y65 s ALA 156 CO -0.01 -0.96 -0.12 0.95 0.00 0.00 0.00 175.76 175.62 1y65 s THR 157 N -1.75 3.24 -0.22 0.00 -4.23 -1.26 -4.65 115.64 106.77 1y65 s THR 157 Ca 0.74 -1.12 -0.02 0.00 -1.18 0.00 0.00 61.69 60.11 1y65 s THR 157 Cb -0.26 -2.44 0.07 0.00 1.34 0.00 0.00 72.50 71.20 1y65 s THR 157 CO 0.30 0.25 0.04 -0.89 -0.54 0.00 0.00 174.62 173.79 1y65 s THR 158 N -1.07 0.67 0.26 3.99 2.01 -0.66 -0.90 115.64 119.94 1y65 s THR 158 Ca 0.18 -0.78 -0.29 0.00 0.31 0.00 0.00 61.69 61.11 1y65 s THR 158 Cb -0.11 -1.22 -0.09 0.00 0.01 0.00 0.00 72.50 71.09 1y65 s THR 158 CO 0.09 -0.30 1.23 -0.83 -0.69 0.00 0.00 174.62 174.12 1y65 s GLY 159 N 1.78 2.85 0.08 4.40 0.00 -0.73 -1.94 107.32 113.74 1y65 s GLY 159 Ca 0.01 1.07 -0.15 0.00 0.00 0.00 0.00 44.72 45.64 1y65 s GLY 159 CO -0.12 1.82 0.36 -1.59 0.00 0.00 0.00 173.10 173.57 1y65 s LYS 160 N -1.06 0.94 -0.36 2.90 -2.85 -0.92 -0.46 119.74 117.93 1y65 s LYS 160 Ca 0.50 -0.58 -0.03 0.00 -1.00 0.00 0.00 55.97 54.85 1y65 s LYS 160 Cb -0.36 0.41 0.08 0.00 -2.06 0.00 0.00 37.83 35.90 1y65 s LYS 160 CO 0.43 -0.33 0.13 -1.01 0.10 0.00 0.00 175.35 174.67 1y65 s HIS 161 N -3.12 3.43 0.31 1.78 0.09 -1.26 0.44 115.29 116.96 1y65 s HIS 161 Ca -0.01 -2.06 -0.29 0.00 -0.00 0.00 0.00 55.06 52.70 1y65 s HIS 161 Cb 0.01 -2.72 -0.11 0.00 -0.00 0.00 0.00 32.58 29.76 1y65 s HIS 161 CO -0.07 -0.88 1.44 0.12 -0.00 0.00 0.00 174.74 175.35 1y65 s PHE 162 N 1.23 2.86 -0.68 1.40 5.36 -0.20 -0.15 117.98 127.79 1y65 s PHE 162 Ca 0.02 1.13 0.11 0.00 -0.96 0.00 0.00 56.93 57.23 1y65 s PHE 162 Cb -0.21 -3.88 0.57 0.00 -0.34 0.00 0.00 43.02 39.16 1y65 s PHE 162 CO -0.02 -2.69 1.39 -0.35 -1.46 0.00 0.00 175.22 172.10 1y65 n PRO 163 N 1.36 3.58 0.00 10.12 -0.04 -1.26 0.03 135.00 148.79 1y65 n PRO 163 Ca 0.03 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.29 1y65 n PRO 163 Cb 0.40 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 1y65 n PRO 163 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1y65 n GLY 164 N 0.58 3.34 1.09 0.55 0.00 0.78 -3.74 105.19 107.79 1y65 n GLY 164 Ca 0.20 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.79 1y65 n GLY 164 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1y65 n HIS 165 N 0.00 0.35 0.22 1.61 -0.00 -1.20 -4.69 115.22 111.51 1y65 n HIS 165 Ca 0.00 -0.17 0.08 0.00 0.46 0.00 0.00 57.72 58.09 1y65 n HIS 165 Cb 0.00 0.00 0.50 0.00 -0.12 0.00 0.00 29.99 30.37 1y65 n HIS 165 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1y65 h GLY 166 N 4.60 0.00 -1.49 1.57 0.00 -1.90 -3.16 103.07 102.70 1y65 h GLY 166 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1y65 h GLY 166 CO 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 176.50 1y65 n ALA 167 N -2.30 3.34 -1.99 3.60 0.00 -1.26 -3.51 120.51 118.39 1y65 n ALA 167 Ca -0.01 -2.67 -0.37 0.00 0.00 0.00 0.00 53.44 50.39 1y65 n ALA 167 Cb 0.38 -0.66 -0.06 0.00 0.00 0.00 0.00 19.45 19.11 1y65 n ALA 167 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1y65 s VAL 168 N -2.99 4.42 -0.04 0.00 1.01 -1.20 -4.84 120.40 116.76 1y65 s VAL 168 Ca 0.41 1.55 0.06 0.00 0.00 0.00 0.00 61.98 64.00 1y65 s VAL 168 Cb 0.35 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1y65 s VAL 168 CO 0.04 0.31 -0.21 -0.63 0.00 0.00 0.00 175.10 174.61 1y65 s ILE 169 N -1.41 2.49 -0.22 2.22 1.01 -0.53 -4.57 121.20 120.18 1y65 s ILE 169 Ca 0.42 -0.93 0.15 0.00 0.00 0.00 0.00 60.65 60.28 1y65 s ILE 169 Cb -0.19 -1.92 0.46 0.00 0.01 0.00 0.00 42.46 40.81 1y65 s ILE 169 CO 0.23 0.58 1.18 0.00 0.00 0.00 0.00 174.94 176.93 1y65 n ALA 170 N 2.51 3.72 -1.48 9.38 0.00 -1.26 -0.83 120.51 132.54 1y65 n ALA 170 Ca -0.17 -3.21 0.00 0.00 0.00 0.00 0.00 53.44 50.06 1y65 n ALA 170 Cb 0.52 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1y65 n ALA 170 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1y65 n ASP 171 N -0.60 0.00 -0.40 0.00 5.68 -1.26 -4.93 116.55 115.04 1y65 n ASP 171 Ca 0.23 -0.16 0.12 0.00 -0.50 0.00 0.00 54.79 54.48 1y65 n ASP 171 Cb 0.89 0.00 0.51 0.00 -1.14 0.00 0.00 41.12 41.38 1y65 n ASP 171 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1y65 n SER 172 N -0.48 1.21 0.11 -1.12 3.41 -1.26 -4.09 113.62 111.41 1y65 n SER 172 Ca 0.00 -1.53 0.02 0.00 -0.26 0.00 0.00 58.87 57.11 1y65 n SER 172 Cb 0.00 -0.05 0.39 0.00 -0.26 0.00 0.00 64.21 64.29 1y65 n SER 172 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1y65 h HIS 173 N 1.73 0.26 -4.39 7.33 6.17 -1.97 -3.44 115.15 120.84 1y65 h HIS 173 Ca 0.00 -0.03 -0.22 0.00 0.71 0.00 0.00 60.37 60.84 1y65 h HIS 173 Cb 0.37 -0.07 -0.13 0.00 2.52 0.00 0.00 27.41 30.10 1y65 h HIS 173 CO 0.05 0.37 -0.49 -0.51 0.71 0.00 0.00 177.93 178.06 1y65 s LEU 174 N -8.78 1.00 0.00 0.26 1.43 -1.26 -5.08 118.68 106.26 1y65 s LEU 174 Ca -0.05 -1.31 0.26 0.00 -1.03 0.00 0.00 54.13 51.99 1y65 s LEU 174 Cb 0.15 0.73 0.71 0.00 0.03 0.00 0.00 46.19 47.82 1y65 s LEU 174 CO 0.73 -0.94 1.54 -0.62 0.23 0.00 0.00 176.35 177.30 1y65 n GLU 175 N -0.33 0.58 -4.23 1.70 1.02 -1.26 -4.81 120.64 113.32 1y65 n GLU 175 Ca 0.02 -0.33 -0.19 0.00 -0.02 0.00 0.00 57.16 56.63 1y65 n GLU 175 Cb 0.65 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 30.45 1y65 n GLU 175 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1y65 s THR 176 N -2.65 1.13 0.57 2.62 2.01 -1.26 -5.12 115.64 112.95 1y65 s THR 176 Ca 0.21 -1.22 -0.19 0.00 0.31 0.00 0.00 61.69 60.80 1y65 s THR 176 Cb 0.19 -1.06 -0.06 0.00 0.01 0.00 0.00 72.50 71.58 1y65 s THR 176 CO 0.57 -0.15 0.99 -2.65 -0.69 0.00 0.00 174.62 172.69 1y65 n PRO 177 N 1.47 1.01 -3.98 4.92 -0.02 -1.26 -4.75 135.00 132.39 1y65 n PRO 177 Ca -0.20 0.38 -0.08 0.00 -2.02 0.00 0.00 63.50 61.58 1y65 n PRO 177 Cb 0.54 -2.17 -0.09 0.00 -0.02 0.00 0.00 33.50 31.76 1y65 n PRO 177 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1y65 s TYR 178 N -1.47 0.35 -0.26 6.00 -0.85 -0.01 -1.00 117.35 120.12 1y65 s TYR 178 Ca 0.74 -0.85 -0.04 0.00 -0.52 0.00 0.00 57.07 56.40 1y65 s TYR 178 Cb -0.43 -0.24 0.09 0.00 0.38 0.00 0.00 41.96 41.75 1y65 s TYR 178 CO 0.49 -0.46 0.11 0.34 -1.52 0.00 0.00 175.55 174.51 1y65 s ASP 179 N -2.89 3.27 0.00 -0.18 -1.08 -0.25 -1.46 116.67 114.08 1y65 s ASP 179 Ca 0.06 -1.13 0.13 0.00 -0.52 0.00 0.00 52.55 51.09 1y65 s ASP 179 Cb 0.07 -0.42 0.42 0.00 -1.46 0.00 0.00 42.92 41.52 1y65 s ASP 179 CO -0.10 -0.40 1.33 -0.62 0.52 0.00 0.00 175.17 175.89 1y65 n GLU 180 N 5.18 1.78 -1.71 4.34 1.02 -1.26 -3.95 120.64 126.05 1y65 n GLU 180 Ca -0.06 -1.21 -0.41 0.00 -0.02 0.00 0.00 57.16 55.46 1y65 n GLU 180 Cb 0.44 -1.30 0.01 0.00 -0.02 0.00 0.00 31.44 30.58 1y65 n GLU 180 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1y65 n ARG 181 N 0.47 1.94 0.21 3.49 1.74 -1.26 -4.79 116.66 118.45 1y65 n ARG 181 Ca 0.13 0.69 0.05 0.00 -0.77 0.00 0.00 57.85 57.95 1y65 n ARG 181 Cb 0.30 -2.40 0.45 0.00 -1.02 0.00 0.00 32.46 29.79 1y65 n ARG 181 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1y65 h GLU 182 N 2.07 0.00 -3.77 5.56 5.08 -2.01 -3.43 114.58 118.09 1y65 h GLU 182 Ca -0.48 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.62 1y65 h GLU 182 Cb 1.29 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.25 1y65 h GLU 182 CO 0.60 0.29 -0.73 -0.08 -1.00 0.00 0.00 179.01 178.09 1y65 s THR 183 N -4.23 0.05 -0.28 1.13 -1.32 -1.26 -4.98 115.64 104.75 1y65 s THR 183 Ca -0.03 0.01 0.09 0.00 -1.21 0.00 0.00 61.69 60.55 1y65 s THR 183 Cb 0.14 -0.07 0.49 0.00 -1.51 0.00 0.00 72.50 71.55 1y65 s THR 183 CO 0.69 0.03 1.42 2.30 -2.21 0.00 0.00 174.62 176.85 1y65 n ILE 184 N 3.25 2.49 -0.30 5.08 -5.35 -1.26 -4.88 119.36 118.39 1y65 n ILE 184 Ca -0.15 -2.82 0.07 0.00 -0.27 0.00 0.00 62.75 59.58 1y65 n ILE 184 Cb 0.58 -0.31 0.22 0.00 -1.74 0.00 0.00 39.64 38.40 1y65 n ILE 184 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1y65 h ALA 185 N 1.01 1.30 -0.21 -1.28 0.00 -1.97 -1.25 119.26 116.86 1y65 h ALA 185 Ca 0.18 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1y65 h ALA 185 Cb 1.55 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1y65 h ALA 185 CO 0.32 -0.04 0.03 1.96 0.00 0.00 0.00 179.25 181.52 1y65 h GLN 186 N 0.68 0.35 -0.60 0.00 4.20 -1.99 0.16 115.11 117.92 1y65 h GLN 186 Ca 0.46 -0.10 0.04 0.00 0.06 0.00 0.00 58.65 59.12 1y65 h GLN 186 Cb 0.62 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.31 1y65 h GLN 186 CO -0.34 0.51 0.33 -0.44 -0.67 0.00 0.00 178.83 178.22 1y65 h ASP 187 N 0.14 0.51 0.85 1.46 5.19 -1.70 -2.62 116.42 120.26 1y65 h ASP 187 Ca 0.06 0.02 -0.15 0.00 -0.62 0.00 0.00 57.03 56.34 1y65 h ASP 187 Cb 0.33 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 1y65 h ASP 187 CO 0.00 0.34 -0.72 -0.03 -3.12 0.00 0.00 179.24 175.71 1y65 h MET 188 N 0.64 0.00 -0.75 3.56 4.05 -1.03 -2.95 114.93 118.45 1y65 h MET 188 Ca 0.26 0.00 0.14 0.00 -0.28 0.00 0.00 59.70 59.82 1y65 h MET 188 Cb 0.12 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 30.87 1y65 h MET 188 CO -0.15 0.72 0.50 0.00 0.23 0.00 0.00 176.91 178.21 1y65 h ALA 189 N 1.28 2.09 -0.13 0.39 0.00 -0.28 0.58 119.26 123.18 1y65 h ALA 189 Ca -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1y65 h ALA 189 Cb 1.34 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1y65 h ALA 189 CO 0.09 -0.29 0.06 0.82 0.00 0.00 0.00 179.25 179.94 1y65 h ILE 190 N 0.43 1.14 -0.33 0.00 2.04 -1.44 -0.63 117.51 118.72 1y65 h ILE 190 Ca 0.36 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1y65 h ILE 190 Cb 0.81 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1y65 h ILE 190 CO -0.12 0.13 0.13 -0.26 0.00 0.00 0.00 178.15 178.03 1y65 h PHE 191 N 0.07 0.51 -0.49 1.37 -1.00 -1.38 -2.42 116.94 113.59 1y65 h PHE 191 Ca 0.04 -0.04 0.07 0.00 2.81 0.00 0.00 57.97 60.86 1y65 h PHE 191 Cb 0.15 -0.15 -0.06 0.00 3.61 0.00 0.00 35.95 39.50 1y65 h PHE 191 CO -0.02 0.48 0.14 -0.09 -1.61 0.00 0.00 178.31 177.21 1y65 h ARG 192 N 0.39 0.29 -0.13 1.51 2.43 -0.80 0.56 114.38 118.64 1y65 h ARG 192 Ca 0.11 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1y65 h ARG 192 Cb 0.18 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1y65 h ARG 192 CO -0.01 0.19 0.07 0.00 -1.51 0.00 0.00 179.97 178.71 1y65 h ALA 193 N 1.35 0.16 -0.55 2.80 0.00 -0.96 0.35 119.26 122.41 1y65 h ALA 193 Ca 0.24 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1y65 h ALA 193 Cb 0.28 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1y65 h ALA 193 CO -0.27 -0.32 -0.02 1.96 0.00 0.00 0.00 179.25 180.60 1y65 h GLN 194 N 0.12 0.99 -0.24 0.00 1.08 -1.11 -1.03 115.11 114.93 1y65 h GLN 194 Ca 0.04 -0.33 0.04 0.00 -1.45 0.00 0.00 58.65 56.95 1y65 h GLN 194 Cb 0.05 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 1y65 h GLN 194 CO -0.01 1.01 0.03 0.82 -0.95 0.00 0.00 178.83 179.73 1y65 h ILE 195 N 0.88 0.87 -0.25 2.54 2.04 -0.66 -2.55 117.51 120.37 1y65 h ILE 195 Ca 0.15 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.92 1y65 h ILE 195 Cb 0.57 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1y65 h ILE 195 CO 0.03 0.02 -0.08 -0.33 0.00 0.00 0.00 178.15 177.80 1y65 h GLU 196 N 0.12 0.39 0.00 2.37 5.08 -0.56 -1.40 114.58 120.57 1y65 h GLU 196 Ca 0.11 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1y65 h GLU 196 Cb 0.12 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1y65 h GLU 196 CO -0.16 0.48 0.00 0.00 -1.00 0.00 0.00 179.01 178.33 1y65 h ALA 197 N 1.55 1.00 -0.36 3.43 0.00 -0.97 -3.47 119.26 120.44 1y65 h ALA 197 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1y65 h ALA 197 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1y65 h ALA 197 CO 0.02 0.00 -0.09 0.41 0.00 0.00 0.00 179.25 179.59 1y65 n GLY 198 N 0.27 0.51 0.79 0.00 0.00 -0.53 -4.94 105.19 101.30 1y65 n GLY 198 Ca 0.03 -0.81 0.12 0.00 0.00 0.00 0.00 46.02 45.36 1y65 n GLY 198 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1y65 n VAL 199 N -3.32 0.00 -3.86 1.61 0.24 -1.16 -4.84 118.33 107.00 1y65 n VAL 199 Ca -0.05 -0.41 -0.36 0.00 -2.04 0.00 0.00 64.34 61.48 1y65 n VAL 199 Cb 0.30 1.24 -0.13 0.00 -1.47 0.00 0.00 33.84 33.78 1y65 n VAL 199 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1y65 s LEU 200 N -2.07 3.28 0.24 1.34 1.43 -1.26 -4.75 118.68 116.90 1y65 s LEU 200 Ca 0.29 -0.24 0.14 0.00 -1.03 0.00 0.00 54.13 53.29 1y65 s LEU 200 Cb 0.20 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.57 1y65 s LEU 200 CO 0.34 -0.01 1.36 0.44 0.23 0.00 0.00 176.35 178.72 1y65 h ASP 201 N 8.03 0.00 -5.22 2.29 5.19 -1.71 -3.44 116.42 121.57 1y65 h ASP 201 Ca -0.39 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 55.96 1y65 h ASP 201 Cb 1.17 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.57 1y65 h ASP 201 CO 0.59 0.56 -0.17 0.00 -3.12 0.00 0.00 179.24 177.11 1y65 s ALA 202 N -2.93 -0.30 -0.07 3.45 0.00 -0.08 -1.47 121.76 120.36 1y65 s ALA 202 Ca 0.03 -0.73 -0.04 0.00 0.00 0.00 0.00 51.96 51.22 1y65 s ALA 202 Cb 0.08 0.94 0.03 0.00 0.00 0.00 0.00 23.12 24.17 1y65 s ALA 202 CO 0.76 -0.76 0.17 1.41 0.00 0.00 0.00 175.76 177.34 1y65 s MET 203 N -3.96 0.13 -0.19 0.00 1.75 0.70 -1.78 119.30 115.95 1y65 s MET 203 Ca 0.17 0.37 -0.05 0.00 -1.25 0.00 0.00 55.69 54.93 1y65 s MET 203 Cb 0.01 -0.11 -0.03 0.00 2.84 0.00 0.00 34.83 37.54 1y65 s MET 203 CO 0.03 -0.13 0.00 1.41 -0.65 0.00 0.00 175.02 175.68 1y65 s MET 204 N 0.95 3.67 0.60 4.11 1.75 0.39 -1.21 119.30 129.57 1y65 s MET 204 Ca -0.07 -0.50 -0.12 0.00 -1.25 0.00 0.00 55.69 53.75 1y65 s MET 204 Cb -0.09 -3.07 -0.05 0.00 2.84 0.00 0.00 34.83 34.46 1y65 s MET 204 CO -0.05 0.08 1.02 -1.25 -0.65 0.00 0.00 175.02 174.17 1y65 s PRO 205 N 0.83 3.65 0.11 4.11 0.04 -1.26 -1.03 135.00 141.45 1y65 s PRO 205 Ca 0.01 0.77 -0.26 0.00 0.04 0.00 0.00 61.00 61.55 1y65 s PRO 205 Cb -0.14 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.24 1y65 s PRO 205 CO 0.02 -0.52 0.82 0.00 0.04 0.00 0.00 177.00 177.35 1y65 s ALA 206 N -3.10 3.37 -1.34 8.56 0.00 0.10 -4.55 121.76 124.81 1y65 s ALA 206 Ca 0.55 0.39 -0.16 0.00 0.00 0.00 0.00 51.96 52.74 1y65 s ALA 206 Cb -0.11 -3.05 0.01 0.00 0.00 0.00 0.00 23.12 19.97 1y65 s ALA 206 CO 0.51 0.14 2.12 1.58 0.00 0.00 0.00 175.76 180.11 1y65 n HIS 207 N 2.28 3.42 -3.74 0.00 -0.00 -1.26 -1.97 115.22 113.95 1y65 n HIS 207 Ca -0.03 -2.76 -0.13 0.00 0.46 0.00 0.00 57.72 55.26 1y65 n HIS 207 Cb 0.49 -2.45 -0.13 0.00 -0.12 0.00 0.00 29.99 27.78 1y65 n HIS 207 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1y65 s VAL 208 N 3.76 -0.04 -0.10 3.57 1.01 -1.26 -4.25 120.40 123.09 1y65 s VAL 208 Ca 0.50 0.14 -0.19 0.00 0.00 0.00 0.00 61.98 62.42 1y65 s VAL 208 Cb 0.13 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 1y65 s VAL 208 CO -0.03 0.06 0.52 -0.69 0.00 0.00 0.00 175.10 174.95 1y65 s VAL 209 N 1.09 5.14 -0.73 2.92 1.01 -0.17 -0.96 120.40 128.70 1y65 s VAL 209 Ca -0.08 1.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.95 1y65 s VAL 209 Cb -0.09 -3.86 0.18 0.00 0.00 0.00 0.00 36.38 32.61 1y65 s VAL 209 CO -0.07 0.33 0.57 -0.31 0.00 0.00 0.00 175.10 175.62 1y65 s TYR 210 N 0.53 3.60 0.60 5.22 1.51 -1.26 -1.09 117.35 126.47 1y65 s TYR 210 Ca 0.28 -2.99 0.33 0.00 -1.01 0.00 0.00 57.07 53.68 1y65 s TYR 210 Cb -0.16 -3.10 1.94 0.00 -0.11 0.00 0.00 41.96 40.54 1y65 s TYR 210 CO 0.12 -0.74 2.28 -1.35 -1.11 0.00 0.00 175.55 174.75 1y65 h PRO 211 N 6.30 0.00 0.00 -1.71 0.11 -1.70 0.18 132.00 135.19 1y65 h PRO 211 Ca 0.07 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 1y65 h PRO 211 Cb 0.86 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1y65 h PRO 211 CO 0.76 0.00 -0.11 1.25 -0.21 0.00 0.00 178.00 179.70 1y65 h HIS 212 N 0.00 0.00 0.00 0.65 2.76 -1.85 -3.35 115.15 113.35 1y65 h HIS 212 Ca -0.00 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.85 1y65 h HIS 212 Cb 0.01 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 28.92 1y65 h HIS 212 CO 0.00 0.11 -2.13 0.66 -1.30 0.00 0.00 177.93 175.27 1y65 n TYR 213 N -3.86 0.00 -3.55 5.26 4.01 0.56 -5.09 117.16 114.50 1y65 n TYR 213 Ca -0.02 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.60 1y65 n TYR 213 Cb 0.20 -0.74 -0.05 0.00 -0.31 0.00 0.00 39.34 38.44 1y65 n TYR 213 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1y65 s ASP 214 N -6.36 -0.43 0.30 7.72 2.15 -0.71 -5.05 116.67 114.29 1y65 s ASP 214 Ca -0.27 0.40 0.13 0.00 0.43 0.00 0.00 52.55 53.23 1y65 s ASP 214 Cb 0.09 0.37 0.43 0.00 -0.30 0.00 0.00 42.92 43.51 1y65 s ASP 214 CO 0.41 -0.45 1.63 0.00 -0.17 0.00 0.00 175.17 176.59 1y65 h ALA 215 N 2.55 0.94 -2.30 3.66 0.00 -1.86 -3.35 119.26 118.90 1y65 h ALA 215 Ca -0.21 -0.50 -0.49 0.00 0.00 0.00 0.00 54.91 53.71 1y65 h ALA 215 Cb 1.17 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.88 1y65 h ALA 215 CO 0.33 0.68 0.16 -0.65 0.00 0.00 0.00 179.25 179.77 1y65 s GLN 216 N -3.55 3.79 0.46 0.00 -1.52 -1.26 -4.91 119.66 112.68 1y65 s GLN 216 Ca -0.01 0.53 -0.25 0.00 -1.95 0.00 0.00 55.36 53.69 1y65 s GLN 216 Cb 0.12 -2.35 -0.08 0.00 -0.22 0.00 0.00 33.01 30.47 1y65 s GLN 216 CO 0.74 -0.08 1.35 -2.30 -0.25 0.00 0.00 175.29 174.75 1y65 n PRO 217 N -1.38 2.02 -0.29 2.91 -0.02 -1.26 -4.50 135.00 132.48 1y65 n PRO 217 Ca 0.03 0.72 0.14 0.00 -2.02 0.00 0.00 63.50 62.38 1y65 n PRO 217 Cb 0.54 -2.52 0.40 0.00 -0.02 0.00 0.00 33.50 31.90 1y65 n PRO 217 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y65 h ALA 218 N 2.04 1.91 0.00 3.55 0.00 -0.93 -0.77 119.26 125.05 1y65 h ALA 218 Ca -0.50 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1y65 h ALA 218 Cb 1.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1y65 h ALA 218 CO 0.60 -0.20 0.00 -1.13 0.00 0.00 0.00 179.25 178.52 1y65 n SER 219 N -4.59 0.39 -0.61 0.00 3.41 -0.83 -2.10 113.62 109.29 1y65 n SER 219 Ca 0.20 0.63 0.06 0.00 -0.26 0.00 0.00 58.87 59.49 1y65 n SER 219 Cb 0.57 -0.70 0.11 0.00 -0.26 0.00 0.00 64.21 63.93 1y65 n SER 219 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y65 n GLY 220 N -0.57 3.38 3.25 5.00 0.00 -0.32 -4.64 105.19 111.28 1y65 n GLY 220 Ca 0.01 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 1y65 n GLY 220 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y65 s SER 221 N -2.47 4.38 0.37 1.61 0.15 -0.89 -4.80 113.70 112.04 1y65 s SER 221 Ca 0.29 -0.72 0.05 0.00 0.70 0.00 0.00 55.95 56.26 1y65 s SER 221 Cb 0.28 -1.71 0.72 0.00 -1.71 0.00 0.00 66.02 63.60 1y65 s SER 221 CO -0.05 -0.11 1.99 0.28 1.20 0.00 0.00 173.24 176.56 1y65 h SER 222 N 8.07 0.66 0.45 5.45 0.02 -1.88 -1.22 113.55 125.10 1y65 h SER 222 Ca -0.35 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.57 1y65 h SER 222 Cb 1.12 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1y65 h SER 222 CO 0.59 0.45 -0.22 0.22 -1.14 0.00 0.00 176.83 176.73 1y65 h TYR 223 N 0.76 -0.57 -0.43 3.45 3.20 -1.94 -1.38 116.97 120.07 1y65 h TYR 223 Ca 0.26 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.06 1y65 h TYR 223 Cb 0.08 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 1y65 h TYR 223 CO -0.00 -0.32 0.05 -1.49 -1.64 0.00 0.00 178.16 174.75 1y65 h TRP 224 N -0.66 0.78 0.00 -3.82 4.06 -1.79 0.96 115.95 115.47 1y65 h TRP 224 Ca -0.06 -0.12 -0.02 0.00 2.06 0.00 0.00 58.89 60.76 1y65 h TRP 224 Cb 0.50 -0.21 -0.00 0.00 -1.00 0.00 0.00 29.16 28.44 1y65 h TRP 224 CO -0.03 0.75 -0.97 -0.07 -3.56 0.00 0.00 178.44 174.56 1y65 h LEU 225 N 0.57 0.00 0.00 -4.49 3.38 -1.30 0.32 115.31 113.80 1y65 h LEU 225 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1y65 h LEU 225 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1y65 h LEU 225 CO 0.01 0.06 -0.10 0.29 0.09 0.00 0.00 178.44 178.78 1y65 n LYS 226 N -2.73 0.05 0.03 1.13 5.02 -0.55 -3.85 118.16 117.26 1y65 n LYS 226 Ca -0.01 0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 56.20 1y65 n LYS 226 Cb 0.58 -0.37 -0.04 0.00 -0.02 0.00 0.00 35.03 35.18 1y65 n LYS 226 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1y65 h GLN 227 N -0.10 -0.29 0.00 1.97 5.75 -1.07 -1.31 115.11 120.06 1y65 h GLN 227 Ca 0.00 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1y65 h GLN 227 Cb 0.10 0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.72 1y65 h GLN 227 CO 0.00 -0.19 -0.00 0.28 -2.65 0.00 0.00 178.83 176.26 1y65 h VAL 228 N -0.30 0.00 -0.44 2.39 2.07 -0.92 -0.73 116.25 118.32 1y65 h VAL 228 Ca 0.08 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 1y65 h VAL 228 Cb 0.41 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1y65 h VAL 228 CO -0.24 0.00 0.15 0.25 0.02 0.00 0.00 177.57 177.75 1y65 h LEU 229 N -0.92 0.63 0.00 2.57 5.85 -1.00 -0.43 115.31 122.01 1y65 h LEU 229 Ca 0.00 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 1y65 h LEU 229 Cb 0.00 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1y65 h LEU 229 CO 0.00 0.66 -0.41 0.03 -0.34 0.00 0.00 178.44 178.37 1y65 h ARG 230 N 0.57 0.00 0.10 1.25 2.47 -1.49 -2.32 114.38 114.95 1y65 h ARG 230 Ca 0.14 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.86 1y65 h ARG 230 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 1y65 h ARG 230 CO -0.01 0.34 -0.05 0.93 0.56 0.00 0.00 179.97 181.75 1y65 h GLU 231 N -1.00 -0.12 -0.20 0.04 5.08 -1.13 -1.06 114.58 116.19 1y65 h GLU 231 Ca -0.07 0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.10 1y65 h GLU 231 Cb 0.58 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.86 1y65 h GLU 231 CO -0.04 0.38 -0.69 0.93 -1.00 0.00 0.00 179.01 178.59 1y65 h GLU 232 N -0.89 0.79 0.00 2.33 5.08 -0.80 -3.36 114.58 117.74 1y65 h GLU 232 Ca -0.01 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 1y65 h GLU 232 Cb 0.56 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1y65 h GLU 232 CO 0.02 1.21 -1.61 1.28 -1.00 0.00 0.00 179.01 178.91 1y65 n LEU 233 N -3.95 0.39 -0.84 1.33 4.77 -0.20 -5.00 117.00 113.50 1y65 n LEU 233 Ca -0.06 -0.19 -0.09 0.00 -0.03 0.00 0.00 56.01 55.64 1y65 n LEU 233 Cb 0.70 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.77 1y65 n LEU 233 CO 0.52 0.10 -0.10 0.61 -1.33 0.00 0.00 177.39 177.18 1y65 n GLY 234 N 1.35 0.61 3.72 -0.72 0.00 -0.40 -4.79 105.19 104.96 1y65 n GLY 234 Ca -0.01 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1y65 n GLY 234 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1y65 s PHE 235 N -2.38 3.09 -0.97 1.61 5.36 -0.88 -4.91 117.98 118.90 1y65 s PHE 235 Ca 0.00 0.72 0.09 0.00 -0.96 0.00 0.00 56.93 56.78 1y65 s PHE 235 Cb 0.00 -3.87 0.04 0.00 -0.34 0.00 0.00 43.02 38.85 1y65 s PHE 235 CO 0.00 -3.16 0.70 1.63 -1.46 0.00 0.00 175.22 172.93 1y65 n LYS 236 N 3.81 0.95 -0.18 10.12 4.76 -1.26 -4.63 118.16 131.73 1y65 n LYS 236 Ca 0.13 -0.85 0.00 0.00 -2.87 0.00 0.00 58.31 54.72 1y65 n LYS 236 Cb 0.39 -1.12 0.00 0.00 -1.84 0.00 0.00 35.03 32.47 1y65 n LYS 236 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1y65 n GLY 237 N 0.61 0.41 3.74 0.72 0.00 -1.26 -5.06 105.19 104.36 1y65 n GLY 237 Ca 0.04 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 1y65 n GLY 237 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y65 s ILE 238 N 0.55 4.75 -0.25 -0.61 -1.09 -0.54 -4.94 121.20 119.06 1y65 s ILE 238 Ca 0.00 1.65 -0.07 0.00 -2.23 0.00 0.00 60.65 60.00 1y65 s ILE 238 Cb 0.00 -4.13 -0.03 0.00 -1.58 0.00 0.00 42.46 36.73 1y65 s ILE 238 CO 0.00 0.35 0.07 -0.69 -1.23 0.00 0.00 174.94 173.43 1y65 s VAL 239 N 0.05 4.29 0.35 2.92 1.01 -1.26 -0.21 120.40 127.55 1y65 s VAL 239 Ca 0.39 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 1y65 s VAL 239 Cb -0.20 -3.00 -0.08 0.00 0.00 0.00 0.00 36.38 33.10 1y65 s VAL 239 CO 0.23 0.34 0.73 -0.36 0.00 0.00 0.00 175.10 176.05 1y65 s PHE 240 N 1.58 3.42 1.01 5.22 2.99 -0.35 -0.24 117.98 131.61 1y65 s PHE 240 Ca 0.06 1.10 -0.17 0.00 0.00 0.00 0.00 56.93 57.93 1y65 s PHE 240 Cb -0.15 -2.46 0.22 0.00 0.00 0.00 0.00 43.02 40.62 1y65 s PHE 240 CO 0.03 0.02 1.29 -1.54 -0.00 0.00 0.00 175.22 175.02 1y65 s SER 241 N -2.70 2.68 0.93 1.36 1.04 0.06 -4.13 113.70 112.94 1y65 s SER 241 Ca 0.52 0.32 -0.05 0.00 0.48 0.00 0.00 55.95 57.21 1y65 s SER 241 Cb -0.10 -0.38 0.08 0.00 0.10 0.00 0.00 66.02 65.72 1y65 s SER 241 CO 0.24 -3.01 0.50 -0.90 0.98 0.00 0.00 173.24 171.05 1y65 n ASP 242 N -3.96 0.11 -4.55 7.02 3.85 -1.26 -4.72 116.55 113.04 1y65 n ASP 242 Ca 0.15 -1.23 -0.41 0.00 -0.71 0.00 0.00 54.79 52.60 1y65 n ASP 242 Cb 0.59 -0.37 -0.03 0.00 -1.35 0.00 0.00 41.12 39.96 1y65 n ASP 242 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1y65 s ASP 243 N -2.84 6.00 0.40 -1.12 3.68 -1.26 -3.99 116.67 117.54 1y65 s ASP 243 Ca 0.29 -0.18 0.27 0.00 2.13 0.00 0.00 52.55 55.06 1y65 s ASP 243 Cb -0.01 -2.55 1.45 0.00 -1.45 0.00 0.00 42.92 40.36 1y65 s ASP 243 CO 0.20 -1.91 1.83 -0.07 0.13 0.00 0.00 175.17 175.35 1y65 h LEU 244 N 13.64 0.00 -0.61 -1.34 3.38 -1.50 0.19 115.31 129.07 1y65 h LEU 244 Ca -0.27 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.55 1y65 h LEU 244 Cb 1.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1y65 h LEU 244 CO 1.25 0.00 -0.69 0.28 0.09 0.00 0.00 178.44 179.37 1y65 h SER 245 N 0.00 0.06 0.00 -0.43 0.02 -1.83 -3.37 113.55 107.99 1y65 h SER 245 Ca 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1y65 h SER 245 Cb 0.04 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1y65 h SER 245 CO 0.00 0.72 0.00 0.23 -1.14 0.00 0.00 176.83 176.64 1y65 n MET 246 N -3.74 1.44 0.00 3.45 2.81 -0.95 -5.06 117.12 115.07 1y65 n MET 246 Ca -0.01 -0.13 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 1y65 n MET 246 Cb 0.67 -0.51 0.00 0.00 -0.71 0.00 0.00 33.22 32.68 1y65 n MET 246 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1y65 n GLU 247 N -0.24 1.16 -0.26 0.03 1.02 0.63 -5.07 120.64 117.90 1y65 n GLU 247 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 1y65 n GLU 247 Cb 0.06 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.48 1y65 n GLU 247 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y65 n GLY 248 N 3.18 -1.79 3.10 0.62 0.00 -1.26 -4.25 105.19 104.78 1y65 n GLY 248 Ca 0.00 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 1y65 n GLY 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y65 n ALA 249 N -0.63 4.72 -0.14 4.61 0.00 -1.26 -4.82 120.51 123.00 1y65 n ALA 249 Ca 0.00 -4.04 0.17 0.00 0.00 0.00 0.00 53.44 49.57 1y65 n ALA 249 Cb 0.12 -3.34 0.55 0.00 0.00 0.00 0.00 19.45 16.78 1y65 n ALA 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y65 h ALA 250 N 6.52 2.21 0.00 0.00 0.00 -1.87 0.78 119.26 126.90 1y65 h ALA 250 Ca 0.45 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 1y65 h ALA 250 Cb 0.73 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1y65 h ALA 250 CO 1.61 -0.41 -0.11 -0.39 0.00 0.00 0.00 179.25 179.95 1y65 h VAL 251 N 0.33 0.76 0.00 0.00 -1.51 -1.96 -2.81 116.25 111.07 1y65 h VAL 251 Ca 0.35 -0.41 -0.02 0.00 -1.23 0.00 0.00 66.70 65.40 1y65 h VAL 251 Cb 0.92 1.24 -0.00 0.00 -2.13 0.00 0.00 31.29 31.32 1y65 h VAL 251 CO -0.10 0.10 -0.08 0.24 -1.23 0.00 0.00 177.57 176.51 1y65 h MET 252 N 0.00 0.00 0.00 5.19 2.86 -1.20 -3.49 114.93 118.29 1y65 h MET 252 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1y65 h MET 252 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1y65 h MET 252 CO 0.01 0.08 0.00 0.41 1.06 0.00 0.00 176.91 178.47 1y65 n GLY 253 N -1.27 0.37 0.00 8.32 0.00 -1.06 -4.79 105.19 106.75 1y65 n GLY 253 Ca -0.03 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1y65 n GLY 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y65 n GLY 254 N 0.00 -0.27 0.37 -0.02 0.00 -1.26 -4.67 105.19 99.34 1y65 n GLY 254 Ca 0.00 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.37 1y65 n GLY 254 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y65 h PRO 255 N 0.00 0.65 -0.14 1.61 0.13 -1.94 0.95 132.00 133.26 1y65 h PRO 255 Ca 0.00 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.06 1y65 h PRO 255 Cb 0.00 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 30.98 1y65 h PRO 255 CO 0.00 0.43 -0.04 0.28 -0.23 0.00 0.00 178.00 178.44 1y65 h VAL 256 N 0.67 1.29 -0.33 1.56 2.07 -1.93 -0.04 116.25 119.55 1y65 h VAL 256 Ca 0.42 -1.00 -0.14 0.00 0.82 0.00 0.00 66.70 66.80 1y65 h VAL 256 Cb 0.67 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1y65 h VAL 256 CO -0.18 0.29 -0.38 -0.33 0.02 0.00 0.00 177.57 176.99 1y65 h GLU 257 N -0.04 0.77 -0.61 1.57 3.07 -1.78 -1.54 114.58 116.03 1y65 h GLU 257 Ca 0.04 -0.39 -0.06 0.00 -0.50 0.00 0.00 59.36 58.44 1y65 h GLU 257 Cb 0.47 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 1y65 h GLU 257 CO 0.01 1.02 0.14 0.00 -1.40 0.00 0.00 179.01 178.78 1y65 h ARG 258 N 0.63 0.97 -0.52 2.33 3.08 -0.78 -1.90 114.38 118.20 1y65 h ARG 258 Ca 0.06 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 1y65 h ARG 258 Cb 0.93 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 1y65 h ARG 258 CO 0.08 0.90 0.12 0.77 -1.07 0.00 0.00 179.97 180.77 1y65 h SER 259 N 0.89 0.80 -0.50 7.04 0.02 -0.80 -0.61 113.55 120.39 1y65 h SER 259 Ca 0.19 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1y65 h SER 259 Cb 0.36 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1y65 h SER 259 CO 0.00 0.83 0.33 -0.74 -1.14 0.00 0.00 176.83 176.11 1y65 h HIS 260 N 0.73 0.63 -0.52 3.45 -0.00 -1.23 -1.61 115.15 116.61 1y65 h HIS 260 Ca 0.16 0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.45 1y65 h HIS 260 Cb 0.34 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.52 1y65 h HIS 260 CO 0.02 0.40 -0.07 0.37 -0.00 0.00 0.00 177.93 178.65 1y65 h GLN 261 N 0.68 0.96 -0.47 5.26 5.75 -1.09 -0.48 115.11 125.72 1y65 h GLN 261 Ca 0.18 -0.34 0.03 0.00 -0.15 0.00 0.00 58.65 58.37 1y65 h GLN 261 Cb -0.07 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.38 1y65 h GLN 261 CO -0.04 1.01 0.27 0.00 -2.65 0.00 0.00 178.83 177.42 1y65 h ALA 262 N 0.92 0.60 -0.23 3.38 0.00 -0.91 0.80 119.26 123.81 1y65 h ALA 262 Ca 0.14 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1y65 h ALA 262 Cb 0.63 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1y65 h ALA 262 CO 0.04 -0.05 -0.25 -0.07 0.00 0.00 0.00 179.25 178.91 1y65 h LEU 263 N 0.53 0.63 -0.93 0.00 3.38 -1.14 -1.09 115.31 116.69 1y65 h LEU 263 Ca 0.19 -0.48 -0.10 0.00 0.09 0.00 0.00 57.88 57.58 1y65 h LEU 263 Cb 0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1y65 h LEU 263 CO -0.10 0.99 -0.30 0.58 0.09 0.00 0.00 178.44 179.69 1y65 h VAL 264 N 0.29 1.28 0.00 1.22 2.07 -0.98 -2.44 116.25 117.68 1y65 h VAL 264 Ca 0.03 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 1y65 h VAL 264 Cb 0.82 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1y65 h VAL 264 CO 0.06 0.42 -0.08 0.00 0.02 0.00 0.00 177.57 177.99 1y65 h ALA 265 N 1.32 1.26 0.00 1.67 0.00 -0.72 -3.47 119.26 119.32 1y65 h ALA 265 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1y65 h ALA 265 Cb 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1y65 h ALA 265 CO 0.05 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.81 1y65 n GLY 266 N -0.76 1.31 3.74 0.00 0.00 -0.92 -3.93 105.19 104.63 1y65 n GLY 266 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1y65 n GLY 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y65 h ASP 268 N 5.21 0.71 -4.43 0.00 3.45 -0.94 -3.40 116.42 117.02 1y65 h ASP 268 Ca -0.44 -0.79 -0.42 0.00 0.43 0.00 0.00 57.03 55.80 1y65 h ASP 268 Cb 1.21 -0.23 -0.22 0.00 -0.56 0.00 0.00 39.33 39.53 1y65 h ASP 268 CO 0.74 1.63 -0.78 -0.04 -1.57 0.00 0.00 179.24 179.22 1y65 s MET 269 N -2.61 0.85 0.06 3.56 -1.94 -0.82 -4.66 119.30 113.74 1y65 s MET 269 Ca -0.09 -0.89 0.07 0.00 -1.71 0.00 0.00 55.69 53.07 1y65 s MET 269 Cb 0.05 -0.86 -0.03 0.00 2.01 0.00 0.00 34.83 36.00 1y65 s MET 269 CO 0.92 0.20 -0.18 0.96 -0.01 0.00 0.00 175.02 176.91 1y65 s ILE 270 N -1.14 1.46 -0.16 2.53 -4.36 0.04 -0.76 121.20 118.82 1y65 s ILE 270 Ca -0.01 -1.27 -0.00 0.00 -0.26 0.00 0.00 60.65 59.11 1y65 s ILE 270 Cb -0.09 -1.31 -0.00 0.00 1.25 0.00 0.00 42.46 42.30 1y65 s ILE 270 CO 0.02 0.01 -0.13 -0.76 0.24 0.00 0.00 174.94 174.32 1y65 s LEU 271 N -1.47 2.55 -0.27 0.37 1.02 -1.26 0.01 118.68 119.63 1y65 s LEU 271 Ca 0.04 -0.45 0.00 0.00 0.02 0.00 0.00 54.13 53.75 1y65 s LEU 271 Cb -0.09 -1.59 0.08 0.00 0.02 0.00 0.00 46.19 44.61 1y65 s LEU 271 CO 0.02 0.07 0.03 -0.63 0.02 0.00 0.00 176.35 175.87 1y65 s ILE 272 N 0.89 1.29 0.16 -0.59 1.01 -0.60 -1.34 121.20 122.02 1y65 s ILE 272 Ca -0.03 -1.39 0.06 0.00 0.00 0.00 0.00 60.65 59.29 1y65 s ILE 272 Cb -0.15 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 1y65 s ILE 272 CO -0.01 -0.41 0.03 0.00 0.00 0.00 0.00 174.94 174.55 1y65 n ASN 274 N -0.10 -0.18 -3.38 0.00 3.02 -1.26 -4.67 115.26 108.69 1y65 n ASN 274 Ca -0.09 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.19 1y65 n ASN 274 Cb 0.55 -1.66 -0.10 0.00 -0.61 0.00 0.00 39.78 37.96 1y65 n ASN 274 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1y65 s LYS 275 N -0.68 0.87 0.23 3.52 1.02 -1.26 -4.99 119.74 118.45 1y65 s LYS 275 Ca 0.00 -2.00 -0.06 0.00 0.02 0.00 0.00 55.97 53.93 1y65 s LYS 275 Cb 0.00 -1.36 0.34 0.00 -0.52 0.00 0.00 37.83 36.30 1y65 s LYS 275 CO 0.00 -1.37 1.79 -0.09 -0.92 0.00 0.00 175.35 174.76 1y65 h ARG 276 N 5.74 0.65 -0.11 1.68 9.65 -1.92 -1.52 114.38 128.56 1y65 h ARG 276 Ca 0.24 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 59.01 1y65 h ARG 276 Cb 0.92 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.34 1y65 h ARG 276 CO 0.35 0.43 -0.26 1.05 2.80 0.00 0.00 179.97 184.34 1y65 h GLU 277 N 0.67 0.19 -0.30 0.20 4.11 -1.99 -1.18 114.58 116.28 1y65 h GLU 277 Ca 0.36 -0.06 -0.08 0.00 0.07 0.00 0.00 59.36 59.65 1y65 h GLU 277 Cb 0.35 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1y65 h GLU 277 CO -0.25 0.45 -0.12 0.00 0.07 0.00 0.00 179.01 179.16 1y65 h ALA 278 N 1.56 0.42 -0.65 1.06 0.00 -1.74 -1.62 119.26 118.29 1y65 h ALA 278 Ca 0.03 -0.31 0.09 0.00 0.00 0.00 0.00 54.91 54.72 1y65 h ALA 278 Cb 0.56 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1y65 h ALA 278 CO 0.04 0.29 0.29 0.00 0.00 0.00 0.00 179.25 179.86 1y65 h ALA 279 N 0.77 0.86 -0.58 0.00 0.00 -0.88 -0.67 119.26 118.76 1y65 h ALA 279 Ca 0.07 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1y65 h ALA 279 Cb 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1y65 h ALA 279 CO 0.04 -0.12 0.22 0.28 0.00 0.00 0.00 179.25 179.67 1y65 h VAL 280 N 0.50 1.23 -0.67 0.00 2.07 -1.15 -0.85 116.25 117.38 1y65 h VAL 280 Ca 0.32 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1y65 h VAL 280 Cb 0.36 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1y65 h VAL 280 CO -0.28 0.28 0.44 -0.08 0.02 0.00 0.00 177.57 177.95 1y65 h GLU 281 N 0.80 0.87 -0.33 1.57 4.81 -0.67 -1.55 114.58 120.08 1y65 h GLU 281 Ca 0.19 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1y65 h GLU 281 Cb 0.22 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1y65 h GLU 281 CO -0.01 0.57 -0.08 0.28 -0.73 0.00 0.00 179.01 179.04 1y65 h VAL 282 N 0.89 1.28 -0.74 0.32 2.07 -0.83 -0.86 116.25 118.38 1y65 h VAL 282 Ca 0.25 -1.13 0.09 0.00 0.82 0.00 0.00 66.70 66.73 1y65 h VAL 282 Cb -0.08 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 1y65 h VAL 282 CO -0.07 0.37 0.40 -0.07 0.02 0.00 0.00 177.57 178.22 1y65 h LEU 283 N 0.43 0.56 -0.67 2.57 4.07 -0.88 -0.58 115.31 120.80 1y65 h LEU 283 Ca 0.08 0.05 -0.14 0.00 0.08 0.00 0.00 57.88 57.95 1y65 h LEU 283 Cb 0.57 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 1y65 h LEU 283 CO 0.03 0.33 -0.59 0.44 -1.08 0.00 0.00 178.44 177.57 1y65 h ASP 284 N 0.69 0.27 -0.11 -0.43 3.32 -1.13 -3.26 116.42 115.78 1y65 h ASP 284 Ca 0.36 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 57.17 1y65 h ASP 284 Cb 0.33 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1y65 h ASP 284 CO -0.24 0.80 -0.26 -1.13 -1.72 0.00 0.00 179.24 176.68 1y65 h ASN 285 N 0.18 0.42 -4.17 6.45 -0.73 -0.58 -3.46 115.58 113.68 1y65 h ASN 285 Ca -0.00 -0.58 -0.50 0.00 1.87 0.00 0.00 56.30 57.09 1y65 h ASN 285 Cb 1.09 -0.12 0.07 0.00 0.27 0.00 0.00 38.32 39.63 1y65 h ASN 285 CO 0.09 0.92 0.38 -0.76 -0.37 0.00 0.00 177.43 177.70 1y65 s LEU 286 N -8.85 3.53 0.86 0.34 1.02 -0.28 -5.03 118.68 110.28 1y65 s LEU 286 Ca -0.14 1.93 -0.13 0.00 0.02 0.00 0.00 54.13 55.81 1y65 s LEU 286 Cb 0.04 -4.55 0.05 0.00 0.02 0.00 0.00 46.19 41.76 1y65 s LEU 286 CO 0.77 -1.28 0.76 -2.65 0.02 0.00 0.00 176.35 173.97 1y65 n PRO 287 N -1.96 -0.07 -2.08 1.29 -0.02 -1.26 -4.90 135.00 125.99 1y65 n PRO 287 Ca 0.10 0.04 -0.42 0.00 -2.02 0.00 0.00 63.50 61.19 1y65 n PRO 287 Cb 0.52 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 1y65 n PRO 287 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1y65 s ILE 288 N -2.26 3.70 0.08 4.25 -1.09 -1.26 -4.97 121.20 119.65 1y65 s ILE 288 Ca 0.65 0.83 0.10 0.00 -2.23 0.00 0.00 60.65 59.99 1y65 s ILE 288 Cb -0.26 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 1y65 s ILE 288 CO 0.60 -0.11 -0.25 -0.04 -1.23 0.00 0.00 174.94 173.90 1y65 s MET 289 N 4.10 1.68 -0.01 2.79 -1.94 -1.26 -5.04 119.30 119.62 1y65 s MET 289 Ca 0.71 -1.19 0.06 0.00 -1.71 0.00 0.00 55.69 53.55 1y65 s MET 289 Cb -0.30 -1.99 -0.01 0.00 2.01 0.00 0.00 34.83 34.54 1y65 s MET 289 CO 0.27 0.49 -0.18 -2.00 -0.01 0.00 0.00 175.02 173.59 1y65 s GLU 290 N -1.66 1.47 -0.60 2.03 2.12 -1.26 -4.26 118.70 116.52 1y65 s GLU 290 Ca 0.14 -0.67 0.05 0.00 0.36 0.00 0.00 54.97 54.85 1y65 s GLU 290 Cb -0.10 -1.43 0.19 0.00 0.26 0.00 0.00 34.13 33.05 1y65 s GLU 290 CO 0.05 0.39 0.50 0.28 -0.54 0.00 0.00 175.26 175.94 1y65 n VAL 291 N 2.58 0.87 -0.27 3.70 0.31 0.89 -4.86 118.33 121.56 1y65 n VAL 291 Ca -0.15 -4.50 0.01 0.00 -0.01 0.00 0.00 64.34 59.69 1y65 n VAL 291 Cb 0.54 -2.02 0.23 0.00 -0.91 0.00 0.00 33.84 31.67 1y65 n VAL 291 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1y65 h PRO 292 N 5.15 1.04 0.00 5.55 0.13 -1.87 -1.60 132.00 140.41 1y65 h PRO 292 Ca 0.18 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1y65 h PRO 292 Cb 0.79 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1y65 h PRO 292 CO 0.63 0.69 0.00 0.00 -0.23 0.00 0.00 178.00 179.09 1y65 n GLN 293 N -4.43 0.15 0.16 0.86 0.00 -1.26 -1.84 117.38 111.01 1y65 n GLN 293 Ca 0.10 0.58 0.13 0.00 0.00 0.00 0.00 57.00 57.81 1y65 n GLN 293 Cb 0.08 -1.92 0.54 0.00 0.00 0.00 0.00 30.24 28.94 1y65 n GLN 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1y65 h ALA 294 N 2.07 1.00 -0.13 2.61 0.00 -1.58 -2.90 119.26 120.33 1y65 h ALA 294 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1y65 h ALA 294 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1y65 h ALA 294 CO 0.00 0.00 0.16 0.93 0.00 0.00 0.00 179.25 180.34 1y65 h GLU 295 N 0.00 0.00 -0.01 0.00 5.08 -1.54 -0.50 114.58 117.61 1y65 h GLU 295 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1y65 h GLU 295 Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1y65 h GLU 295 CO 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 179.01 178.06 1y65 h ALA 296 N 1.80 1.18 0.00 3.43 0.00 -1.76 -2.54 119.26 121.37 1y65 h ALA 296 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1y65 h ALA 296 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1y65 h ALA 296 CO -0.00 -0.05 -0.37 1.28 0.00 0.00 0.00 179.25 180.11 1y65 n LEU 297 N -3.24 0.69 -4.77 0.00 4.77 -0.19 -4.83 117.00 109.42 1y65 n LEU 297 Ca -0.03 0.35 -0.41 0.00 -0.03 0.00 0.00 56.01 55.89 1y65 n LEU 297 Cb 0.12 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 1y65 n LEU 297 CO 0.21 -0.08 1.03 -0.76 -1.33 0.00 0.00 177.39 176.46 1y65 s LEU 298 N -4.17 4.39 0.47 2.23 1.43 -0.96 -4.55 118.68 117.52 1y65 s LEU 298 Ca 0.08 2.79 -0.24 0.00 -1.03 0.00 0.00 54.13 55.73 1y65 s LEU 298 Cb 0.14 -3.65 -0.07 0.00 0.03 0.00 0.00 46.19 42.63 1y65 s LEU 298 CO 0.67 -0.64 1.32 -1.59 0.23 0.00 0.00 176.35 176.34 1y65 s LYS 299 N -1.76 3.62 0.00 1.70 -2.85 -1.26 -4.82 119.74 114.37 1y65 s LYS 299 Ca 0.51 2.17 0.26 0.00 -1.00 0.00 0.00 55.97 57.90 1y65 s LYS 299 Cb -0.42 -2.52 0.61 0.00 -2.06 0.00 0.00 37.83 33.45 1y65 s LYS 299 CO 0.55 -0.79 1.48 1.63 0.10 0.00 0.00 175.35 178.33 1y65 n LYS 300 N -0.41 1.43 -4.20 1.78 4.76 -0.19 -4.93 118.16 116.40 1y65 n LYS 300 Ca 0.07 -0.99 -0.12 0.00 -2.87 0.00 0.00 58.31 54.40 1y65 n LYS 300 Cb 0.44 -1.48 -0.10 0.00 -1.84 0.00 0.00 35.03 32.05 1y65 n LYS 300 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1y65 s GLN 301 N -2.25 0.95 -0.11 1.97 -0.21 -1.26 -4.95 119.66 113.80 1y65 s GLN 301 Ca 0.28 -1.42 -0.05 0.00 0.02 0.00 0.00 55.36 54.20 1y65 s GLN 301 Cb 0.20 -0.20 0.05 0.00 1.00 0.00 0.00 33.01 34.06 1y65 s GLN 301 CO 0.43 -0.08 0.24 -1.14 -2.12 0.00 0.00 175.29 172.62 1y65 s GLN 302 N -3.88 0.17 0.07 2.91 0.74 -1.26 -5.02 119.66 113.39 1y65 s GLN 302 Ca 0.17 0.58 -0.27 0.00 0.05 0.00 0.00 55.36 55.90 1y65 s GLN 302 Cb 0.06 -0.11 0.08 0.00 1.10 0.00 0.00 33.01 34.14 1y65 s GLN 302 CO -0.01 -0.21 0.87 -0.59 -0.55 0.00 0.00 175.29 174.80 1y65 s PHE 303 N 1.65 -0.30 0.46 1.67 -0.12 -1.26 -5.11 117.98 114.97 1y65 s PHE 303 Ca -0.05 0.09 0.00 0.00 -0.05 0.00 0.00 56.93 56.92 1y65 s PHE 303 Cb -0.11 0.58 -0.00 0.00 -0.63 0.00 0.00 43.02 42.86 1y65 s PHE 303 CO -0.08 -0.69 0.68 -1.54 -0.05 0.00 0.00 175.22 173.53 1y65 s SER 304 N -2.67 5.78 0.15 1.98 1.04 -1.26 -4.05 113.70 114.68 1y65 s SER 304 Ca 0.07 0.25 -0.11 0.00 0.48 0.00 0.00 55.95 56.64 1y65 s SER 304 Cb -0.01 -1.47 -0.00 0.00 0.10 0.00 0.00 66.02 64.64 1y65 s SER 304 CO -0.06 -0.74 1.55 0.22 0.98 0.00 0.00 173.24 175.19 1y65 h TYR 305 N 0.37 1.07 -0.54 5.02 3.20 -1.96 -1.40 116.97 122.74 1y65 h TYR 305 Ca -0.46 -0.25 0.09 0.00 3.14 0.00 0.00 58.73 61.26 1y65 h TYR 305 Cb 1.26 -0.25 -0.07 0.00 1.54 0.00 0.00 36.73 39.20 1y65 h TYR 305 CO 0.45 1.04 0.12 0.77 -1.64 0.00 0.00 178.16 178.90 1y65 h SER 306 N 0.78 0.03 -0.60 -2.11 0.02 -1.95 -1.03 113.55 108.69 1y65 h SER 306 Ca 0.11 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1y65 h SER 306 Cb 0.73 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 1y65 h SER 306 CO 0.06 0.04 0.24 -0.33 -1.14 0.00 0.00 176.83 175.70 1y65 h GLU 307 N 0.27 0.90 -0.67 3.45 5.08 -1.91 -3.02 114.58 118.68 1y65 h GLU 307 Ca 0.27 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1y65 h GLU 307 Cb 0.37 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1y65 h GLU 307 CO -0.34 0.77 0.39 1.25 -1.00 0.00 0.00 179.01 180.09 1y65 h LEU 308 N 0.84 0.81 -1.85 1.33 5.85 -0.80 -2.86 115.31 118.61 1y65 h LEU 308 Ca 0.20 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1y65 h LEU 308 Cb 0.20 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1y65 h LEU 308 CO -0.02 0.64 0.00 0.11 -0.34 0.00 0.00 178.44 178.83 1y65 h LYS 309 N 0.91 0.00 0.00 1.25 1.57 -1.07 -2.04 116.57 117.19 1y65 h LYS 309 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1y65 h LYS 309 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1y65 h LYS 309 CO -0.04 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.38 1y65 n ARG 310 N -3.01 0.09 -2.72 3.15 1.74 -1.08 -4.59 116.66 110.25 1y65 n ARG 310 Ca -0.00 0.30 -0.42 0.00 -0.77 0.00 0.00 57.85 56.95 1y65 n ARG 310 Cb 0.23 -1.67 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 1y65 n ARG 310 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1y65 s LEU 311 N -3.68 4.32 0.50 0.55 1.02 -0.77 -4.91 118.68 115.72 1y65 s LEU 311 Ca 0.07 1.59 0.23 0.00 0.02 0.00 0.00 54.13 56.04 1y65 s LEU 311 Cb 0.10 -3.54 1.31 0.00 0.02 0.00 0.00 46.19 44.08 1y65 s LEU 311 CO 0.35 -0.32 1.97 -0.33 0.02 0.00 0.00 176.35 178.04 1y65 h GLU 312 N 6.90 0.11 -0.64 1.70 3.07 -1.89 -1.15 114.58 122.69 1y65 h GLU 312 Ca -0.38 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.44 1y65 h GLU 312 Cb 1.19 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 29.05 1y65 h GLU 312 CO 0.79 0.07 0.24 -0.09 -1.40 0.00 0.00 179.01 178.62 1y65 h ARG 313 N 0.11 0.95 -0.19 2.33 2.43 -1.92 -0.45 114.38 117.63 1y65 h ARG 313 Ca 0.30 -0.16 -0.11 0.00 -0.81 0.00 0.00 59.98 59.19 1y65 h ARG 313 Cb 1.02 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1y65 h ARG 313 CO -0.03 0.78 -0.32 2.35 -1.51 0.00 0.00 179.97 181.23 1y65 h TRP 314 N 0.93 0.69 -0.82 2.20 7.01 -1.48 -1.86 115.95 122.62 1y65 h TRP 314 Ca 0.22 -0.24 0.04 0.00 2.11 0.00 0.00 58.89 61.01 1y65 h TRP 314 Cb 0.20 -0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 27.07 1y65 h TRP 314 CO 0.01 0.97 0.52 1.96 -2.79 0.00 0.00 178.44 179.11 1y65 h GLN 315 N 0.22 0.97 0.02 2.65 4.20 -0.82 -1.09 115.11 121.26 1y65 h GLN 315 Ca 0.01 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1y65 h GLN 315 Cb 0.91 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1y65 h GLN 315 CO 0.07 0.64 -0.01 1.96 -0.67 0.00 0.00 178.83 180.83 1y65 h GLN 316 N 1.00 -0.02 -0.28 1.46 1.08 -1.16 -3.06 115.11 114.14 1y65 h GLN 316 Ca 0.33 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.56 1y65 h GLN 316 Cb 0.04 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 1y65 h GLN 316 CO -0.13 0.71 0.11 0.00 -0.95 0.00 0.00 178.83 178.57 1y65 h ALA 317 N 0.12 0.32 -0.34 3.87 0.00 -1.18 0.12 119.26 122.16 1y65 h ALA 317 Ca -0.00 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1y65 h ALA 317 Cb 0.74 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1y65 h ALA 317 CO 0.00 -0.28 0.10 0.66 0.00 0.00 0.00 179.25 179.73 1y65 h SER 318 N 0.25 0.08 -0.59 0.00 4.64 -1.32 -0.08 113.55 116.53 1y65 h SER 318 Ca 0.12 0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.42 1y65 h SER 318 Cb 0.06 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 1y65 h SER 318 CO -0.10 0.08 0.12 0.00 -0.87 0.00 0.00 176.83 176.05 1y65 h ALA 319 N 1.24 0.78 -0.26 5.18 0.00 -1.32 -2.70 119.26 122.16 1y65 h ALA 319 Ca 0.16 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1y65 h ALA 319 Cb 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1y65 h ALA 319 CO -0.18 0.51 -0.29 -0.91 0.00 0.00 0.00 179.25 178.38 1y65 h ASN 320 N 0.86 0.55 -0.51 0.00 -0.26 -0.26 -1.43 115.58 114.53 1y65 h ASN 320 Ca 0.18 -0.20 -0.09 0.00 -0.56 0.00 0.00 56.30 55.63 1y65 h ASN 320 Cb 0.39 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.48 1y65 h ASN 320 CO 0.01 0.81 -0.03 0.24 -1.06 0.00 0.00 177.43 177.40 1y65 h MET 321 N 0.46 0.96 -0.54 0.81 2.86 -0.94 -0.43 114.93 118.11 1y65 h MET 321 Ca 0.06 -0.30 -0.08 0.00 -2.06 0.00 0.00 59.70 57.32 1y65 h MET 321 Cb 0.74 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 1y65 h MET 321 CO 0.06 0.97 0.03 0.37 1.06 0.00 0.00 176.91 179.39 1y65 h GLN 322 N 0.88 0.94 -0.33 1.72 5.75 -1.13 -1.28 115.11 121.66 1y65 h GLN 322 Ca 0.16 -0.29 0.01 0.00 -0.15 0.00 0.00 58.65 58.38 1y65 h GLN 322 Cb 0.55 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.99 1y65 h GLN 322 CO 0.03 0.94 0.21 0.00 -2.65 0.00 0.00 178.83 177.36 1y65 h ARG 323 N 0.82 0.42 -0.64 1.69 3.08 -1.11 -1.85 114.38 116.79 1y65 h ARG 323 Ca 0.16 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1y65 h ARG 323 Cb 0.50 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 1y65 h ARG 323 CO 0.02 0.28 0.37 1.25 -1.07 0.00 0.00 179.97 180.82 1y65 h LEU 324 N 0.43 0.79 0.01 3.04 5.85 -0.83 0.97 115.31 125.56 1y65 h LEU 324 Ca 0.12 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1y65 h LEU 324 Cb -0.03 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1y65 h LEU 324 CO -0.04 0.63 -0.07 0.40 -0.34 0.00 0.00 178.44 179.02 1y65 h ILE 325 N 0.87 0.82 0.00 4.05 2.04 -1.11 -2.54 117.51 121.64 1y65 h ILE 325 Ca 0.23 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.06 1y65 h ILE 325 Cb 0.00 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1y65 h ILE 325 CO -0.04 0.00 -0.11 -0.33 0.00 0.00 0.00 178.15 177.67 1y65 h GLU 326 N -0.13 0.00 -0.25 2.37 5.08 -1.04 -0.52 114.58 120.09 1y65 h GLU 326 Ca 0.02 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1y65 h GLU 326 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1y65 h GLU 326 CO -0.06 0.11 -0.23 0.37 -1.00 0.00 0.00 179.01 178.20 1y65 h GLN 327 N 0.00 0.47 0.00 2.33 4.15 -0.38 -3.35 115.11 118.33 1y65 h GLN 327 Ca -0.00 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.25 1y65 h GLN 327 Cb 0.22 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1y65 h GLN 327 CO 0.01 0.67 0.00 1.19 -1.93 0.00 0.00 178.83 178.78 1y65 n PHE 328 N -4.14 0.00 1.27 3.99 3.01 -1.00 -5.10 117.46 115.49 1y65 n PHE 328 Ca -0.00 -0.08 0.10 0.00 1.01 0.00 0.00 57.45 58.48 1y65 n PHE 328 Cb 0.39 -0.01 0.60 0.00 -0.01 0.00 0.00 39.48 40.45 1y65 n PHE 328 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64