#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pyi h LYS 11 N 0.00 0.00 0.00 -0.14 3.11 -2.01 -3.30 116.57 114.23 2pyi h LYS 11 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2pyi h LYS 11 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 2pyi h LYS 11 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 179.45 177.68 2pyi n GLN 12 N -2.34 0.06 -2.44 1.90 6.02 -1.26 -4.70 117.38 114.62 2pyi n GLN 12 Ca 0.03 0.45 -0.43 0.00 -0.01 0.00 0.00 57.00 57.04 2pyi n GLN 12 Cb 0.47 -1.65 -0.02 0.00 1.02 0.00 0.00 30.24 30.06 2pyi n GLN 12 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2pyi s ILE 13 N -3.16 4.14 0.30 5.09 1.09 -1.25 -4.91 121.20 122.50 2pyi s ILE 13 Ca 0.02 1.26 0.08 0.00 -1.10 0.00 0.00 60.65 60.91 2pyi s ILE 13 Cb 0.05 -4.22 0.04 0.00 -1.06 0.00 0.00 42.46 37.27 2pyi s ILE 13 CO 0.17 -0.57 1.71 0.77 -0.10 0.00 0.00 174.94 176.92 2pyi h SER 14 N 9.41 0.19 0.41 3.58 4.64 -1.88 -2.77 113.55 127.13 2pyi h SER 14 Ca -0.26 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2pyi h SER 14 Cb 1.09 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2pyi h SER 14 CO 1.05 0.60 0.00 -0.37 -0.87 0.00 0.00 176.83 177.24 2pyi h VAL 15 N 0.16 0.00 -0.04 0.95 -1.51 -1.94 -1.95 116.25 111.92 2pyi h VAL 15 Ca 0.01 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 2pyi h VAL 15 Cb 0.82 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 2pyi h VAL 15 CO 0.06 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.94 2pyi n ARG 16 N -2.37 1.47 0.00 5.19 1.74 -1.05 -5.04 116.66 116.61 2pyi n ARG 16 Ca 0.00 -0.69 0.00 0.00 -0.77 0.00 0.00 57.85 56.39 2pyi n ARG 16 Cb 0.15 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 2pyi n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pyi n GLY 17 N 1.09 -1.81 3.76 -0.13 0.00 -0.73 -1.29 105.19 106.08 2pyi n GLY 17 Ca 0.19 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 2pyi n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pyi s LEU 18 N 0.00 3.87 -1.13 0.99 1.43 -1.26 -4.71 118.68 117.87 2pyi s LEU 18 Ca 0.00 0.22 -0.08 0.00 -1.03 0.00 0.00 54.13 53.24 2pyi s LEU 18 Cb 0.00 -2.03 0.27 0.00 0.03 0.00 0.00 46.19 44.46 2pyi s LEU 18 CO 0.00 0.35 1.31 0.00 0.23 0.00 0.00 176.35 178.24 2pyi n ALA 19 N 1.78 4.55 -1.75 4.21 0.00 -1.26 -3.76 120.51 124.28 2pyi n ALA 19 Ca -0.17 -4.64 -0.42 0.00 0.00 0.00 0.00 53.44 48.21 2pyi n ALA 19 Cb 0.54 -2.53 -0.01 0.00 0.00 0.00 0.00 19.45 17.45 2pyi n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pyi n GLY 20 N 2.44 1.20 0.22 0.00 0.00 -1.26 -4.84 105.19 102.95 2pyi n GLY 20 Ca 0.27 0.40 -0.04 0.00 0.00 0.00 0.00 46.02 46.64 2pyi n GLY 20 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2pyi h VAL 21 N 3.12 1.01 -0.08 1.61 -1.51 -1.99 0.13 116.25 118.55 2pyi h VAL 21 Ca -0.48 -0.21 -0.15 0.00 -1.23 0.00 0.00 66.70 64.63 2pyi h VAL 21 Cb 1.24 0.34 -0.01 0.00 -2.13 0.00 0.00 31.29 30.73 2pyi h VAL 21 CO 0.72 0.11 -0.60 -0.33 -1.23 0.00 0.00 177.57 176.25 2pyi h GLU 22 N 0.61 0.26 -0.19 5.19 5.08 -1.99 -1.76 114.58 121.79 2pyi h GLU 22 Ca 0.23 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2pyi h GLU 22 Cb 0.08 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2pyi h GLU 22 CO -0.13 0.78 0.03 -0.97 -1.00 0.00 0.00 179.01 177.72 2pyi h ASN 23 N 0.19 0.30 -0.59 1.42 -1.24 -1.78 -0.52 115.58 113.37 2pyi h ASN 23 Ca -0.01 -0.26 0.00 0.00 0.71 0.00 0.00 56.30 56.75 2pyi h ASN 23 Cb 1.10 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 40.04 2pyi h ASN 23 CO 0.09 0.49 0.38 0.58 -1.29 0.00 0.00 177.43 177.68 2pyi h VAL 24 N 0.10 1.15 -0.36 2.57 2.07 -0.74 0.11 116.25 121.16 2pyi h VAL 24 Ca 0.06 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2pyi h VAL 24 Cb 0.32 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2pyi h VAL 24 CO 0.00 0.15 0.24 0.74 0.02 0.00 0.00 177.57 178.72 2pyi h THR 25 N 0.79 1.09 -0.29 2.57 2.02 -1.24 -1.70 112.91 116.16 2pyi h THR 25 Ca 0.21 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 2pyi h THR 25 Cb -0.08 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 2pyi h THR 25 CO -0.05 0.09 0.15 -0.08 0.37 0.00 0.00 175.52 176.00 2pyi h GLU 26 N 0.49 0.41 -0.60 6.66 4.81 -0.82 -2.34 114.58 123.18 2pyi h GLU 26 Ca 0.13 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2pyi h GLU 26 Cb -0.05 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 2pyi h GLU 26 CO -0.03 0.37 0.38 -0.07 -0.73 0.00 0.00 179.01 178.93 2pyi h LEU 27 N 0.34 0.62 -0.81 1.64 3.38 -0.82 -0.38 115.31 119.28 2pyi h LEU 27 Ca 0.10 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2pyi h LEU 27 Cb 0.09 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2pyi h LEU 27 CO -0.01 0.44 0.45 0.11 0.09 0.00 0.00 178.44 179.52 2pyi h LYS 28 N 0.75 1.13 -0.34 1.13 1.57 -1.23 0.87 116.57 120.45 2pyi h LYS 28 Ca 0.23 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2pyi h LYS 28 Cb -0.01 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 2pyi h LYS 28 CO -0.09 0.83 0.02 -0.22 -0.57 0.00 0.00 179.45 179.43 2pyi h LYS 29 N 1.13 0.59 -0.00 3.15 3.64 -0.90 -1.47 116.57 122.71 2pyi h LYS 29 Ca 0.29 -0.18 -0.17 0.00 -1.27 0.00 0.00 60.65 59.33 2pyi h LYS 29 Cb 0.02 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2pyi h LYS 29 CO -0.05 0.69 -0.78 -0.91 -2.27 0.00 0.00 179.45 176.14 2pyi h ASN 30 N 0.41 0.08 0.11 4.20 2.35 -0.94 -0.39 115.58 121.40 2pyi h ASN 30 Ca 0.10 -0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2pyi h ASN 30 Cb 0.41 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 2pyi h ASN 30 CO 0.01 0.82 -0.13 0.15 -1.65 0.00 0.00 177.43 176.63 2pyi h PHE 31 N 0.04 -0.35 -0.61 1.19 3.57 -0.73 -1.09 116.94 118.97 2pyi h PHE 31 Ca -0.02 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 2pyi h PHE 31 Cb 1.36 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 40.22 2pyi h PHE 31 CO 0.01 -0.21 0.17 -0.91 -2.23 0.00 0.00 178.31 175.15 2pyi h ASN 32 N -0.28 0.86 -0.34 0.41 2.35 -1.16 -1.55 115.58 115.87 2pyi h ASN 32 Ca 0.01 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2pyi h ASN 32 Cb 0.28 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 2pyi h ASN 32 CO -0.06 0.82 0.21 -0.09 -1.65 0.00 0.00 177.43 176.67 2pyi h ARG 33 N 0.89 0.46 -0.57 0.81 2.43 -0.92 -1.92 114.38 115.57 2pyi h ARG 33 Ca 0.20 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.22 2pyi h ARG 33 Cb 0.28 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2pyi h ARG 33 CO -0.01 0.34 -0.08 0.45 -1.51 0.00 0.00 179.97 179.17 2pyi h HIS 34 N 0.45 1.17 -0.87 2.20 3.86 -0.98 0.19 115.15 121.16 2pyi h HIS 34 Ca 0.12 -0.23 0.08 0.00 -1.16 0.00 0.00 60.37 59.18 2pyi h HIS 34 Cb -0.01 -0.29 -0.07 0.00 1.06 0.00 0.00 27.41 28.10 2pyi h HIS 34 CO -0.04 1.06 0.52 1.25 0.86 0.00 0.00 177.93 181.58 2pyi h LEU 35 N 0.94 0.79 0.19 2.43 5.85 -1.16 0.15 115.31 124.50 2pyi h LEU 35 Ca 0.15 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2pyi h LEU 35 Cb 0.65 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2pyi h LEU 35 CO 0.04 0.47 -0.09 -0.74 -0.34 0.00 0.00 178.44 177.78 2pyi h HIS 36 N 0.91 -0.24 0.08 1.25 2.76 -1.02 -0.88 115.15 118.01 2pyi h HIS 36 Ca 0.40 -0.01 -0.29 0.00 -2.20 0.00 0.00 60.37 58.27 2pyi h HIS 36 Cb 0.29 0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.31 2pyi h HIS 36 CO -0.04 -0.14 -1.49 0.74 -1.30 0.00 0.00 177.93 175.70 2pyi h PHE 37 N -1.07 0.32 0.00 5.26 0.04 -0.67 -2.66 116.94 118.16 2pyi h PHE 37 Ca -0.03 -0.23 -0.21 0.00 2.80 0.00 0.00 57.97 60.30 2pyi h PHE 37 Cb 0.21 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.32 2pyi h PHE 37 CO 0.00 1.28 -1.13 1.15 -0.60 0.00 0.00 178.31 179.01 2pyi h THR 38 N 0.05 1.00 0.00 -1.55 2.02 -1.03 -3.39 112.91 110.01 2pyi h THR 38 Ca -0.22 -2.20 0.00 0.00 0.77 0.00 0.00 66.41 64.76 2pyi h THR 38 Cb 1.98 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 70.73 2pyi h THR 38 CO 0.14 0.34 -0.73 -0.07 0.37 0.00 0.00 175.52 175.57 2pyi h LEU 39 N -0.99 0.00 -2.26 2.58 3.38 -0.86 -3.49 115.31 113.67 2pyi h LEU 39 Ca -0.31 -0.19 -0.40 0.00 0.09 0.00 0.00 57.88 57.07 2pyi h LEU 39 Cb 1.28 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.11 2pyi h LEU 39 CO -0.19 0.09 -0.87 0.52 0.09 0.00 0.00 178.44 178.09 2pyi n VAL 40 N -2.22 -5.41 -4.16 1.22 0.31 -0.84 -4.98 118.33 102.24 2pyi n VAL 40 Ca 0.02 -0.74 -0.12 0.00 -0.01 0.00 0.00 64.34 63.49 2pyi n VAL 40 Cb 0.46 -4.24 -0.10 0.00 -0.91 0.00 0.00 33.84 29.05 2pyi n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2pyi s LYS 41 N -5.80 0.81 0.47 5.55 -0.14 -0.40 -5.02 119.74 115.22 2pyi s LYS 41 Ca 0.19 -1.22 0.05 0.00 -1.36 0.00 0.00 55.97 53.63 2pyi s LYS 41 Cb -0.05 -0.33 -0.02 0.00 -1.68 0.00 0.00 37.83 35.74 2pyi s LYS 41 CO 0.82 0.02 0.17 0.16 -0.76 0.00 0.00 175.35 175.76 2pyi s ASP 42 N -2.70 4.33 0.27 2.83 -4.77 -1.26 -3.81 116.67 111.56 2pyi s ASP 42 Ca 0.08 -1.32 0.21 0.00 -3.30 0.00 0.00 52.55 48.21 2pyi s ASP 42 Cb 0.01 0.05 1.02 0.00 -1.09 0.00 0.00 42.92 42.90 2pyi s ASP 42 CO -0.02 -0.76 1.63 0.54 0.70 0.00 0.00 175.17 177.25 2pyi n ARG 43 N -1.35 0.15 0.05 2.11 5.12 -1.26 -2.15 116.66 119.33 2pyi n ARG 43 Ca -0.07 0.55 -0.07 0.00 -1.93 0.00 0.00 57.85 56.33 2pyi n ARG 43 Cb 0.65 -1.89 0.09 0.00 -1.16 0.00 0.00 32.46 30.16 2pyi n ARG 43 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 2pyi h ASN 44 N 0.00 0.42 -0.00 0.55 2.35 -2.05 -3.33 115.58 113.51 2pyi h ASN 44 Ca 0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 2pyi h ASN 44 Cb 0.13 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2pyi h ASN 44 CO 0.00 0.91 -0.35 1.33 -1.65 0.00 0.00 177.43 177.66 2pyi n VAL 45 N -3.91 0.00 -1.89 2.81 0.24 -0.98 -5.04 118.33 109.55 2pyi n VAL 45 Ca -0.03 -0.32 -0.42 0.00 -2.04 0.00 0.00 64.34 61.53 2pyi n VAL 45 Cb 0.61 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.96 2pyi n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pyi s ALA 46 N -1.69 3.79 0.41 2.33 0.00 -0.91 -5.02 121.76 120.67 2pyi s ALA 46 Ca 0.03 1.42 0.02 0.00 0.00 0.00 0.00 51.96 53.44 2pyi s ALA 46 Cb 0.06 -3.63 -0.00 0.00 0.00 0.00 0.00 23.12 19.54 2pyi s ALA 46 CO 0.31 -0.81 0.61 0.95 0.00 0.00 0.00 175.76 176.82 2pyi s THR 47 N 0.99 4.02 0.42 0.00 -4.23 -1.26 -4.97 115.64 110.61 2pyi s THR 47 Ca 0.70 -0.66 0.17 0.00 -1.18 0.00 0.00 61.69 60.72 2pyi s THR 47 Cb -0.45 -3.46 0.38 0.00 1.34 0.00 0.00 72.50 70.31 2pyi s THR 47 CO 0.33 -0.27 1.86 -0.65 -0.54 0.00 0.00 174.62 175.35 2pyi h PRO 48 N 0.55 0.40 -0.44 3.99 0.11 -1.99 -1.54 132.00 133.09 2pyi h PRO 48 Ca -0.46 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2pyi h PRO 48 Cb 1.25 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2pyi h PRO 48 CO 0.56 0.27 0.07 -0.09 -0.21 0.00 0.00 178.00 178.59 2pyi h ARG 49 N 0.41 0.73 -0.67 1.05 2.43 -1.96 0.28 114.38 116.65 2pyi h ARG 49 Ca 0.45 -0.20 0.09 0.00 -0.81 0.00 0.00 59.98 59.52 2pyi h ARG 49 Cb 1.11 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.51 2pyi h ARG 49 CO -0.17 0.76 0.31 -0.44 -1.51 0.00 0.00 179.97 178.92 2pyi h ASP 50 N 0.59 0.38 -0.58 -3.80 3.45 -1.70 -0.91 116.42 113.85 2pyi h ASP 50 Ca 0.13 0.07 -0.10 0.00 0.43 0.00 0.00 57.03 57.56 2pyi h ASP 50 Cb 0.39 0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 39.15 2pyi h ASP 50 CO 0.01 0.22 -0.04 1.88 -1.57 0.00 0.00 179.24 179.73 2pyi h TYR 51 N 0.53 1.15 -0.14 4.55 0.05 -0.90 0.44 116.97 122.66 2pyi h TYR 51 Ca 0.33 -0.22 0.03 0.00 0.05 0.00 0.00 58.73 58.93 2pyi h TYR 51 Cb 0.37 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 2pyi h TYR 51 CO -0.13 1.04 -0.06 -0.92 -1.05 0.00 0.00 178.16 177.04 2pyi h TYR 52 N 0.94 -0.14 -0.50 4.88 3.20 -0.48 -1.49 116.97 123.38 2pyi h TYR 52 Ca 0.16 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 2pyi h TYR 52 Cb 0.60 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 2pyi h TYR 52 CO 0.04 -0.10 0.05 0.74 -1.64 0.00 0.00 178.16 177.25 2pyi h PHE 53 N -0.05 0.84 -0.42 -3.82 -1.00 -0.85 0.17 116.94 111.81 2pyi h PHE 53 Ca 0.08 -0.10 0.01 0.00 2.81 0.00 0.00 57.97 60.76 2pyi h PHE 53 Cb 0.16 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.46 2pyi h PHE 53 CO -0.20 0.75 0.27 0.00 -1.61 0.00 0.00 178.31 177.52 2pyi h ALA 54 N 1.29 0.54 -0.41 2.45 0.00 -0.73 -0.19 119.26 122.21 2pyi h ALA 54 Ca 0.16 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2pyi h ALA 54 Cb 0.39 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2pyi h ALA 54 CO 0.01 -0.04 0.04 1.25 0.00 0.00 0.00 179.25 180.51 2pyi h LEU 55 N 0.54 0.68 -0.26 0.00 5.85 -0.80 -2.07 115.31 119.25 2pyi h LEU 55 Ca 0.16 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.62 2pyi h LEU 55 Cb -0.03 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 2pyi h LEU 55 CO -0.05 0.79 0.09 0.00 -0.34 0.00 0.00 178.44 178.93 2pyi h ALA 56 N 0.91 0.30 -0.77 1.25 0.00 -0.33 0.20 119.26 120.82 2pyi h ALA 56 Ca 0.12 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2pyi h ALA 56 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2pyi h ALA 56 CO 0.01 -0.31 0.35 0.45 0.00 0.00 0.00 179.25 179.75 2pyi h HIS 57 N 0.22 1.12 -0.21 0.00 3.86 -1.03 0.43 115.15 119.54 2pyi h HIS 57 Ca 0.11 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2pyi h HIS 57 Cb 0.07 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.19 2pyi h HIS 57 CO -0.12 0.83 0.14 1.15 0.86 0.00 0.00 177.93 180.79 2pyi h THR 58 N 1.09 1.06 -0.32 2.45 2.02 -0.84 -1.17 112.91 117.18 2pyi h THR 58 Ca 0.26 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 67.29 2pyi h THR 58 Cb 0.15 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2pyi h THR 58 CO -0.03 0.05 0.03 0.58 0.37 0.00 0.00 175.52 176.53 2pyi h VAL 59 N 0.28 1.25 -0.77 3.16 2.07 -0.83 -3.00 116.25 118.40 2pyi h VAL 59 Ca 0.08 -0.88 0.05 0.00 0.82 0.00 0.00 66.70 66.77 2pyi h VAL 59 Cb -0.03 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 2pyi h VAL 59 CO -0.02 0.29 0.51 -0.09 0.02 0.00 0.00 177.57 178.28 2pyi h ARG 60 N 0.37 0.85 -0.43 1.57 1.12 -0.72 -0.95 114.38 116.17 2pyi h ARG 60 Ca 0.10 -0.05 0.10 0.00 -1.11 0.00 0.00 59.98 59.02 2pyi h ARG 60 Cb 0.39 -0.19 -0.02 0.00 -0.01 0.00 0.00 29.97 30.14 2pyi h ARG 60 CO 0.01 0.56 0.30 -0.44 -3.11 0.00 0.00 179.97 177.29 2pyi h ASP 61 N 0.87 0.10 1.04 -3.80 3.45 -1.07 -1.46 116.42 115.56 2pyi h ASP 61 Ca 0.32 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.79 2pyi h ASP 61 Cb 0.17 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 38.92 2pyi h ASP 61 CO -0.11 0.06 0.00 0.45 -1.57 0.00 0.00 179.24 178.08 2pyi h HIS 62 N 0.12 0.00 0.00 4.55 3.86 -1.21 -3.03 115.15 119.44 2pyi h HIS 62 Ca 0.20 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.27 2pyi h HIS 62 Cb 0.66 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.11 2pyi h HIS 62 CO -0.00 0.00 -1.00 -0.07 0.86 0.00 0.00 177.93 177.72 2pyi h LEU 63 N 0.00 0.00 0.06 2.43 3.38 -1.32 -3.42 115.31 116.45 2pyi h LEU 63 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pyi h LEU 63 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2pyi h LEU 63 CO 0.00 0.57 -0.03 0.58 0.09 0.00 0.00 178.44 179.65 2pyi h VAL 64 N 0.00 0.98 -0.07 1.22 2.07 -1.55 0.28 116.25 119.18 2pyi h VAL 64 Ca -0.09 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.33 2pyi h VAL 64 Cb 1.51 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 2pyi h VAL 64 CO 0.06 0.03 -0.10 1.23 0.02 0.00 0.00 177.57 178.82 2pyi h GLY 65 N -0.14 -0.05 1.18 2.17 0.00 -1.81 -0.72 103.07 103.70 2pyi h GLY 65 Ca -0.01 0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 2pyi h GLY 65 CO 0.01 -0.11 0.37 3.21 0.00 0.00 0.00 176.54 180.03 2pyi h ARG 66 N -0.13 1.06 -0.05 4.80 3.08 -1.78 -0.12 114.38 121.23 2pyi h ARG 66 Ca 0.06 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 2pyi h ARG 66 Cb 0.22 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 2pyi h ARG 66 CO -0.15 0.81 0.02 2.35 -1.07 0.00 0.00 179.97 181.94 2pyi h TRP 67 N 1.06 0.08 -0.32 3.04 7.01 -0.46 0.31 115.95 126.67 2pyi h TRP 67 Ca 0.26 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.25 2pyi h TRP 67 Cb 0.09 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 2pyi h TRP 67 CO 0.01 0.18 0.16 0.82 -2.79 0.00 0.00 178.44 176.83 2pyi h ILE 68 N -0.05 1.15 -0.48 2.65 2.04 -1.00 -2.72 117.51 119.11 2pyi h ILE 68 Ca 0.02 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.40 2pyi h ILE 68 Cb 0.14 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2pyi h ILE 68 CO -0.00 0.15 0.04 0.03 0.00 0.00 0.00 178.15 178.37 2pyi h ARG 69 N 0.39 0.81 -0.16 2.37 3.08 -0.85 -1.57 114.38 118.46 2pyi h ARG 69 Ca 0.11 -0.24 0.04 0.00 0.07 0.00 0.00 59.98 59.96 2pyi h ARG 69 Cb 0.10 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 2pyi h ARG 69 CO -0.02 0.84 -0.06 1.15 -1.07 0.00 0.00 179.97 180.82 2pyi h THR 70 N 0.68 0.79 -0.10 2.04 2.02 -0.38 0.18 112.91 118.14 2pyi h THR 70 Ca 0.14 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.21 2pyi h THR 70 Cb 0.45 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 2pyi h THR 70 CO 0.02 0.00 -0.43 1.56 0.37 0.00 0.00 175.52 177.04 2pyi h GLN 71 N -0.03 0.22 -0.49 6.66 1.08 -1.41 -1.79 115.11 119.35 2pyi h GLN 71 Ca 0.08 -0.11 -0.13 0.00 -1.45 0.00 0.00 58.65 57.05 2pyi h GLN 71 Cb 0.16 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2pyi h GLN 71 CO -0.19 0.61 -0.19 0.37 -0.95 0.00 0.00 178.83 178.49 2pyi h GLN 72 N 0.18 0.98 -0.76 1.46 5.75 -1.00 -2.67 115.11 119.05 2pyi h GLN 72 Ca 0.01 -0.40 0.06 0.00 -0.15 0.00 0.00 58.65 58.17 2pyi h GLN 72 Cb 0.84 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 29.29 2pyi h GLN 72 CO 0.07 1.08 0.45 1.25 -2.65 0.00 0.00 178.83 179.02 2pyi h HIS 73 N 0.85 0.83 -0.25 3.99 2.76 -0.07 -0.70 115.15 122.57 2pyi h HIS 73 Ca 0.12 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.23 2pyi h HIS 73 Cb 0.76 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 2pyi h HIS 73 CO 0.05 0.42 -0.22 1.88 -1.30 0.00 0.00 177.93 178.76 2pyi h TYR 74 N 0.83 0.50 -0.43 5.26 0.05 -1.26 0.13 116.97 122.05 2pyi h TYR 74 Ca 0.33 -0.09 -0.06 0.00 0.05 0.00 0.00 58.73 58.96 2pyi h TYR 74 Cb 0.17 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.77 2pyi h TYR 74 CO -0.05 0.64 0.03 -0.92 -1.05 0.00 0.00 178.16 176.80 2pyi h TYR 75 N 0.40 0.79 0.08 4.88 3.20 -1.01 -0.68 116.97 124.64 2pyi h TYR 75 Ca 0.06 -0.13 -0.00 0.00 3.14 0.00 0.00 58.73 61.80 2pyi h TYR 75 Cb 0.61 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.67 2pyi h TYR 75 CO 0.02 0.78 -0.04 0.93 -1.64 0.00 0.00 178.16 178.21 2pyi h GLU 76 N 0.58 -0.10 0.00 1.82 5.08 -0.86 -3.30 114.58 117.79 2pyi h GLU 76 Ca 0.12 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 2pyi h GLU 76 Cb 0.45 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2pyi h GLU 76 CO 0.02 0.41 -0.25 -0.22 -1.00 0.00 0.00 179.01 177.96 2pyi h LYS 77 N -0.69 0.00 -6.39 2.33 3.11 -0.85 -3.48 116.57 110.60 2pyi h LYS 77 Ca -0.01 0.00 -0.47 0.00 -2.81 0.00 0.00 60.65 57.36 2pyi h LYS 77 Cb 0.56 0.00 0.04 0.00 -1.00 0.00 0.00 32.23 31.82 2pyi h LYS 77 CO 0.02 0.25 -0.94 -3.47 -2.81 0.00 0.00 179.45 172.50 2pyi n ASP 78 N -3.31 -3.79 -4.82 4.20 2.03 -0.26 -4.98 116.55 105.62 2pyi n ASP 78 Ca 0.01 -1.05 -0.29 0.00 0.52 0.00 0.00 54.79 53.97 2pyi n ASP 78 Cb 0.50 -3.06 0.10 0.00 -0.72 0.00 0.00 41.12 37.94 2pyi n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2pyi s PRO 79 N -6.33 1.79 0.20 -0.67 0.04 -1.26 -4.98 135.00 123.80 2pyi s PRO 79 Ca 0.35 0.41 -0.31 0.00 0.04 0.00 0.00 61.00 61.48 2pyi s PRO 79 Cb -0.14 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.39 2pyi s PRO 79 CO 0.88 -1.77 1.63 0.21 0.04 0.00 0.00 177.00 177.99 2pyi s LYS 80 N -5.29 4.17 -0.06 4.56 2.20 -1.26 -4.96 119.74 119.10 2pyi s LYS 80 Ca 0.62 2.48 -0.15 0.00 -0.36 0.00 0.00 55.97 58.56 2pyi s LYS 80 Cb -0.14 -3.10 -0.05 0.00 -1.51 0.00 0.00 37.83 33.03 2pyi s LYS 80 CO 0.53 -0.66 0.38 1.03 -0.36 0.00 0.00 175.35 176.27 2pyi s ARG 81 N 0.86 4.03 -0.25 4.03 1.81 -0.21 -4.53 118.95 124.69 2pyi s ARG 81 Ca 0.70 0.32 -0.07 0.00 -1.72 0.00 0.00 55.73 54.96 2pyi s ARG 81 Cb -0.47 -3.30 -0.03 0.00 -0.45 0.00 0.00 34.95 30.70 2pyi s ARG 81 CO 0.34 0.51 0.07 0.42 -0.68 0.00 0.00 175.30 175.96 2pyi s ILE 82 N -0.44 4.37 -0.30 1.52 -1.09 -0.28 -0.94 121.20 124.03 2pyi s ILE 82 Ca 0.22 -0.15 -0.05 0.00 -2.23 0.00 0.00 60.65 58.44 2pyi s ILE 82 Cb -0.15 -3.04 0.03 0.00 -1.58 0.00 0.00 42.46 37.72 2pyi s ILE 82 CO 0.10 0.34 0.05 -0.31 -1.23 0.00 0.00 174.94 173.90 2pyi s TYR 83 N 1.55 3.18 -0.49 3.97 2.02 0.97 -0.09 117.35 128.46 2pyi s TYR 83 Ca 0.06 -1.36 -0.15 0.00 -0.37 0.00 0.00 57.07 55.26 2pyi s TYR 83 Cb -0.15 -2.20 0.10 0.00 -0.40 0.00 0.00 41.96 39.30 2pyi s TYR 83 CO 0.04 -0.69 0.41 -0.47 -1.57 0.00 0.00 175.55 173.28 2pyi s TYR 84 N 1.40 3.27 -0.22 2.71 5.04 0.11 -0.52 117.35 129.13 2pyi s TYR 84 Ca -0.00 -1.18 -0.15 0.00 -2.44 0.00 0.00 57.07 53.30 2pyi s TYR 84 Cb -0.18 -3.39 -0.04 0.00 0.35 0.00 0.00 41.96 38.70 2pyi s TYR 84 CO 0.01 -0.89 0.35 -0.51 -1.34 0.00 0.00 175.55 173.17 2pyi s LEU 85 N 1.59 4.13 -0.09 6.97 1.02 -0.52 -1.29 118.68 130.48 2pyi s LEU 85 Ca 0.04 0.40 -0.13 0.00 0.02 0.00 0.00 54.13 54.45 2pyi s LEU 85 Cb -0.26 -2.42 0.03 0.00 0.02 0.00 0.00 46.19 43.56 2pyi s LEU 85 CO 0.04 -0.07 0.35 -0.55 0.02 0.00 0.00 176.35 176.14 2pyi s SER 86 N 1.15 -0.32 0.00 2.29 0.15 -0.75 -1.90 113.70 114.32 2pyi s SER 86 Ca 0.16 0.51 0.29 0.00 0.70 0.00 0.00 55.95 57.62 2pyi s SER 86 Cb -0.15 0.59 1.32 0.00 -1.71 0.00 0.00 66.02 66.08 2pyi s SER 86 CO 0.08 -0.23 1.92 0.18 1.20 0.00 0.00 173.24 176.38 2pyi n LEU 87 N 2.34 0.31 -3.82 3.45 7.99 -1.26 -4.07 117.00 121.94 2pyi n LEU 87 Ca -0.16 0.09 -0.14 0.00 -0.01 0.00 0.00 56.01 55.79 2pyi n LEU 87 Cb 0.57 -0.21 -0.15 0.00 -0.11 0.00 0.00 43.42 43.51 2pyi n LEU 87 CO 0.17 0.06 -0.36 -1.61 -1.51 0.00 0.00 177.39 174.14 2pyi s GLU 88 N -2.50 0.05 -0.32 3.23 2.02 -1.26 -4.67 118.70 115.24 2pyi s GLU 88 Ca 0.29 0.10 -0.01 0.00 0.02 0.00 0.00 54.97 55.36 2pyi s GLU 88 Cb 0.20 -0.22 0.11 0.00 0.10 0.00 0.00 34.13 34.32 2pyi s GLU 88 CO 0.47 -0.10 0.13 -0.06 0.02 0.00 0.00 175.26 175.72 2pyi s PHE 89 N 0.68 1.31 -1.28 1.61 0.40 -0.11 -4.64 117.98 115.95 2pyi s PHE 89 Ca -0.06 -1.58 -0.12 0.00 -0.60 0.00 0.00 56.93 54.57 2pyi s PHE 89 Cb -0.09 -1.47 0.14 0.00 0.51 0.00 0.00 43.02 42.12 2pyi s PHE 89 CO -0.02 -0.85 1.77 0.98 0.70 0.00 0.00 175.22 177.79 2pyi n TYR 90 N 4.77 3.85 0.12 0.36 4.19 -0.45 -3.51 117.16 126.49 2pyi n TYR 90 Ca -0.01 -3.00 -0.01 0.00 3.31 0.00 0.00 57.90 58.19 2pyi n TYR 90 Cb 0.41 -2.17 0.07 0.00 0.49 0.00 0.00 39.34 38.13 2pyi n TYR 90 CO 0.00 0.00 0.00 0.52 0.91 0.00 0.00 176.86 178.29 2pyi h MET 91 N 6.41 0.00 0.00 2.98 2.86 -1.72 -3.41 114.93 122.05 2pyi h MET 91 Ca 0.40 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.04 2pyi h MET 91 Cb 0.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.39 2pyi h MET 91 CO 1.52 0.66 0.00 0.41 1.06 0.00 0.00 176.91 180.56 2pyi n GLY 92 N 0.89 -0.15 3.87 8.32 0.00 -1.03 -4.83 105.19 112.26 2pyi n GLY 92 Ca 0.00 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 2pyi n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pyi s ARG 93 N 0.00 3.63 -0.01 1.61 0.52 -1.26 -1.32 118.95 122.12 2pyi s ARG 93 Ca 0.00 0.68 0.03 0.00 -0.52 0.00 0.00 55.73 55.92 2pyi s ARG 93 Cb 0.00 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.30 2pyi s ARG 93 CO 0.00 -0.47 0.04 2.41 0.02 0.00 0.00 175.30 177.30 2pyi n THR 94 N -2.53 0.07 0.33 0.02 -1.04 -1.26 -4.68 114.28 105.19 2pyi n THR 94 Ca 0.05 -0.08 -0.17 0.00 -2.04 0.00 0.00 64.05 61.81 2pyi n THR 94 Cb 0.54 -0.07 -0.09 0.00 -1.82 0.00 0.00 70.33 68.89 2pyi n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2pyi h LEU 95 N 0.00 -0.70 -0.40 -4.42 5.85 -1.96 -1.06 115.31 112.61 2pyi h LEU 95 Ca -0.03 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2pyi h LEU 95 Cb 0.51 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2pyi h LEU 95 CO 0.00 -0.49 0.11 -0.61 -0.34 0.00 0.00 178.44 177.11 2pyi h GLN 96 N -0.81 0.63 -0.82 1.25 4.15 -1.97 -2.28 115.11 115.27 2pyi h GLN 96 Ca -0.08 -0.14 0.08 0.00 0.77 0.00 0.00 58.65 59.28 2pyi h GLN 96 Cb 0.63 -0.09 -0.07 0.00 0.21 0.00 0.00 27.48 28.16 2pyi h GLN 96 CO 0.13 0.64 0.48 -0.97 -1.93 0.00 0.00 178.83 177.18 2pyi h ASN 97 N 0.51 0.71 -0.33 -0.69 -0.73 -1.82 0.48 115.58 113.72 2pyi h ASN 97 Ca 0.13 0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.31 2pyi h ASN 97 Cb 0.28 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.75 2pyi h ASN 97 CO -0.00 0.43 0.09 0.74 -0.37 0.00 0.00 177.43 178.31 2pyi h THR 98 N 0.83 1.22 -0.52 -3.57 2.02 -0.99 -1.65 112.91 110.25 2pyi h THR 98 Ca 0.38 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 2pyi h THR 98 Cb 0.29 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 2pyi h THR 98 CO -0.22 0.24 0.29 0.24 0.37 0.00 0.00 175.52 176.44 2pyi h MET 99 N 0.37 0.73 -0.17 6.66 2.86 -0.84 -1.63 114.93 122.90 2pyi h MET 99 Ca 0.10 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2pyi h MET 99 Cb 0.28 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 2pyi h MET 99 CO -0.00 0.56 0.04 0.28 1.06 0.00 0.00 176.91 178.85 2pyi h VAL 100 N 0.70 0.94 0.00 -2.22 2.07 -0.81 0.18 116.25 117.10 2pyi h VAL 100 Ca 0.19 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 2pyi h VAL 100 Cb 0.04 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2pyi h VAL 100 CO -0.03 0.02 -0.04 0.78 0.02 0.00 0.00 177.57 178.33 2pyi h ASN 101 N 0.12 0.00 -0.27 0.57 2.35 -1.09 -2.70 115.58 114.56 2pyi h ASN 101 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2pyi h ASN 101 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2pyi h ASN 101 CO -0.09 0.04 0.00 0.18 -1.65 0.00 0.00 177.43 175.90 2pyi n LEU 102 N -3.13 3.16 -3.53 1.61 4.77 -0.63 -0.95 117.00 118.29 2pyi n LEU 102 Ca 0.01 -1.37 -0.24 0.00 -0.03 0.00 0.00 56.01 54.38 2pyi n LEU 102 Cb 0.36 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.35 2pyi n LEU 102 CO 0.29 0.65 0.19 0.00 -1.33 0.00 0.00 177.39 177.19 2pyi n ALA 103 N 1.30 -1.25 0.39 -1.18 0.00 -0.61 -4.92 120.51 114.23 2pyi n ALA 103 Ca 0.16 0.37 0.05 0.00 0.00 0.00 0.00 53.44 54.02 2pyi n ALA 103 Cb 0.56 -5.16 0.03 0.00 0.00 0.00 0.00 19.45 14.88 2pyi n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pyi n LEU 104 N -4.82 1.71 0.15 0.00 4.77 0.53 -4.49 117.00 114.84 2pyi n LEU 104 Ca -0.01 -0.98 -0.14 0.00 -0.03 0.00 0.00 56.01 54.86 2pyi n LEU 104 Cb 0.57 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.58 2pyi n LEU 104 CO 0.63 0.34 0.76 -0.08 -1.33 0.00 0.00 177.39 177.71 2pyi h GLU 105 N 1.73 -0.30 -0.59 3.23 4.81 -1.62 0.56 114.58 122.40 2pyi h GLU 105 Ca 0.00 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2pyi h GLU 105 Cb 0.38 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 2pyi h GLU 105 CO 0.00 -0.15 0.18 -0.91 -0.73 0.00 0.00 179.01 177.40 2pyi h ASN 106 N -0.37 0.82 -0.41 1.04 -0.26 -1.47 -0.55 115.58 114.38 2pyi h ASN 106 Ca -0.03 -0.13 -0.04 0.00 -0.56 0.00 0.00 56.30 55.53 2pyi h ASN 106 Cb 0.28 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.31 2pyi h ASN 106 CO 0.05 0.77 0.09 0.00 -1.06 0.00 0.00 177.43 177.28 2pyi h ALA 107 N 1.34 0.54 -0.30 -0.83 0.00 -1.57 -0.90 119.26 117.53 2pyi h ALA 107 Ca 0.19 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2pyi h ALA 107 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2pyi h ALA 107 CO -0.01 0.23 -0.36 0.00 0.00 0.00 0.00 179.25 179.11 2pyi h ASP 109 N 0.57 0.56 -0.20 0.00 -0.00 -0.95 0.15 116.42 116.56 2pyi h ASP 109 Ca 0.06 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.03 57.01 2pyi h ASP 109 Cb 0.89 -0.14 -0.01 0.00 -0.00 0.00 0.00 39.33 40.07 2pyi h ASP 109 CO 0.08 0.41 -0.08 -0.08 -0.00 0.00 0.00 179.24 179.57 2pyi h GLU 110 N 0.65 0.40 -0.19 0.28 4.57 -1.07 -1.37 114.58 117.84 2pyi h GLU 110 Ca 0.17 -0.17 0.04 0.00 -1.18 0.00 0.00 59.36 58.23 2pyi h GLU 110 Cb -0.06 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.48 2pyi h GLU 110 CO -0.04 0.68 -0.07 0.00 -1.18 0.00 0.00 179.01 178.41 2pyi h ALA 111 N 0.71 0.11 -0.48 2.92 0.00 -0.88 0.05 119.26 121.69 2pyi h ALA 111 Ca 0.05 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2pyi h ALA 111 Cb 0.55 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2pyi h ALA 111 CO 0.03 -0.49 -0.03 1.79 0.00 0.00 0.00 179.25 180.54 2pyi h THR 112 N -0.03 1.25 -0.54 0.00 1.35 -1.00 -2.36 112.91 111.58 2pyi h THR 112 Ca 0.10 -1.07 0.01 0.00 -0.55 0.00 0.00 66.41 64.89 2pyi h THR 112 Cb 0.18 0.91 -0.03 0.00 -1.73 0.00 0.00 68.15 67.48 2pyi h THR 112 CO -0.22 0.38 0.35 0.22 -0.25 0.00 0.00 175.52 176.00 2pyi h TYR 113 N 0.76 0.67 0.00 4.73 5.03 -0.75 0.25 116.97 127.66 2pyi h TYR 113 Ca 0.14 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.43 2pyi h TYR 113 Cb 0.50 -0.23 -0.00 0.00 1.55 0.00 0.00 36.73 38.55 2pyi h TYR 113 CO 0.03 0.42 -0.15 1.96 -1.32 0.00 0.00 178.16 179.09 2pyi h GLN 114 N 0.72 0.00 -0.03 1.82 4.20 -0.78 -0.07 115.11 120.97 2pyi h GLN 114 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2pyi h GLN 114 Cb -0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.70 2pyi h GLN 114 CO -0.05 0.15 0.00 1.28 -0.67 0.00 0.00 178.83 179.55 2pyi n LEU 115 N -3.80 1.05 0.00 1.46 4.77 -0.84 -4.93 117.00 114.71 2pyi n LEU 115 Ca -0.02 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 2pyi n LEU 115 Cb 0.26 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2pyi n LEU 115 CO 0.32 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2pyi n GLY 116 N 1.10 0.52 3.34 -0.72 0.00 -0.04 -5.06 105.19 104.33 2pyi n GLY 116 Ca 0.20 -0.85 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 2pyi n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pyi s LEU 117 N 0.00 2.30 -0.46 0.99 1.43 0.81 -4.99 118.68 118.76 2pyi s LEU 117 Ca 0.00 -0.71 -0.17 0.00 -1.03 0.00 0.00 54.13 52.22 2pyi s LEU 117 Cb 0.00 -1.08 0.05 0.00 0.03 0.00 0.00 46.19 45.18 2pyi s LEU 117 CO 0.00 0.14 0.49 -0.62 0.23 0.00 0.00 176.35 176.58 2pyi s ASP 118 N -1.92 6.19 0.35 2.29 3.68 -1.26 -3.12 116.67 122.89 2pyi s ASP 118 Ca 0.11 -0.91 0.07 0.00 2.13 0.00 0.00 52.55 53.94 2pyi s ASP 118 Cb -0.10 -2.23 0.75 0.00 -1.45 0.00 0.00 42.92 39.89 2pyi s ASP 118 CO 0.05 -0.70 1.91 -0.03 0.13 0.00 0.00 175.17 176.53 2pyi h MET 119 N 8.82 0.74 -0.22 4.34 1.85 -1.91 -1.39 114.93 127.16 2pyi h MET 119 Ca -0.27 -0.04 -0.08 0.00 -0.61 0.00 0.00 59.70 58.70 2pyi h MET 119 Cb 1.11 -0.17 -0.01 0.00 0.43 0.00 0.00 31.60 32.95 2pyi h MET 119 CO 0.87 0.49 -0.19 0.93 -0.40 0.00 0.00 176.91 178.61 2pyi h GLU 120 N 0.76 0.39 -0.60 0.39 5.08 -1.99 0.75 114.58 119.36 2pyi h GLU 120 Ca 0.38 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.52 2pyi h GLU 120 Cb 0.47 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2pyi h GLU 120 CO -0.15 0.57 -0.02 0.93 -1.00 0.00 0.00 179.01 179.34 2pyi h GLU 121 N 0.35 1.06 -0.62 2.33 5.08 -1.70 -2.96 114.58 118.12 2pyi h GLU 121 Ca 0.06 -0.35 -0.08 0.00 -1.00 0.00 0.00 59.36 57.99 2pyi h GLU 121 Cb 0.54 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2pyi h GLU 121 CO 0.04 1.05 0.06 -0.07 -1.00 0.00 0.00 179.01 179.08 2pyi h LEU 122 N 0.96 1.01 -1.51 1.33 3.38 -0.79 -2.96 115.31 116.73 2pyi h LEU 122 Ca 0.17 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2pyi h LEU 122 Cb 0.58 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2pyi h LEU 122 CO 0.03 1.03 0.34 -0.33 0.09 0.00 0.00 178.44 179.61 2pyi h GLU 123 N 0.97 0.65 0.00 1.13 5.08 -0.78 -1.94 114.58 119.69 2pyi h GLU 123 Ca 0.19 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2pyi h GLU 123 Cb 0.48 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2pyi h GLU 123 CO 0.02 0.43 0.00 0.39 -1.00 0.00 0.00 179.01 178.85 2pyi n GLU 124 N -4.46 0.13 0.11 2.33 -0.58 -1.12 -2.52 120.64 114.53 2pyi n GLU 124 Ca 0.05 0.41 -0.03 0.00 -0.42 0.00 0.00 57.16 57.17 2pyi n GLU 124 Cb 0.07 -1.78 0.08 0.00 -0.57 0.00 0.00 31.44 29.25 2pyi n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2pyi h ILE 125 N 0.00 1.52 -3.34 -3.67 1.08 -1.43 -3.46 117.51 108.21 2pyi h ILE 125 Ca 0.00 -2.48 -0.52 0.00 -0.39 0.00 0.00 64.86 61.46 2pyi h ILE 125 Cb 0.28 2.34 0.04 0.00 -3.07 0.00 0.00 36.82 36.41 2pyi h ILE 125 CO 0.00 0.71 0.70 -0.70 -0.69 0.00 0.00 178.15 178.17 2pyi s GLU 126 N -3.36 4.34 0.29 2.37 2.12 -1.05 -5.00 118.70 118.41 2pyi s GLU 126 Ca -0.01 2.14 -0.29 0.00 0.36 0.00 0.00 54.97 57.18 2pyi s GLU 126 Cb 0.12 -3.17 -0.09 0.00 0.26 0.00 0.00 34.13 31.24 2pyi s GLU 126 CO 0.78 -0.33 1.07 -1.21 -0.54 0.00 0.00 175.26 175.03 2pyi s GLU 127 N -0.08 4.62 0.32 4.30 0.41 -1.26 -4.96 118.70 122.06 2pyi s GLU 127 Ca 0.58 1.73 -0.29 0.00 -0.41 0.00 0.00 54.97 56.58 2pyi s GLU 127 Cb -0.38 -3.14 -0.12 0.00 -1.78 0.00 0.00 34.13 28.71 2pyi s GLU 127 CO 0.39 0.22 1.51 -0.25 -0.49 0.00 0.00 175.26 176.64 2pyi n ASP 128 N 1.10 3.63 -4.56 -0.19 10.43 -1.26 -4.55 116.55 121.15 2pyi n ASP 128 Ca -0.01 1.18 -0.41 0.00 2.57 0.00 0.00 54.79 58.12 2pyi n ASP 128 Cb 0.46 -1.58 -0.03 0.00 1.84 0.00 0.00 41.12 41.81 2pyi n ASP 128 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2pyi s ALA 129 N -0.51 2.80 -0.75 2.24 0.00 -0.43 -4.88 121.76 120.23 2pyi s ALA 129 Ca 0.60 -2.36 -0.04 0.00 0.00 0.00 0.00 51.96 50.16 2pyi s ALA 129 Cb -0.51 -4.55 0.13 0.00 0.00 0.00 0.00 23.12 18.19 2pyi s ALA 129 CO 0.55 -3.57 2.52 0.41 0.00 0.00 0.00 175.76 175.67 2pyi n GLY 130 N 6.66 4.84 1.76 0.00 0.00 -1.26 -2.12 105.19 115.07 2pyi n GLY 130 Ca 0.35 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 2pyi n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pyi n LEU 131 N 0.82 6.03 -3.67 0.99 4.77 -1.23 -1.19 117.00 123.53 2pyi n LEU 131 Ca 0.53 -3.00 -0.09 0.00 -0.03 0.00 0.00 56.01 53.41 2pyi n LEU 131 Cb 0.42 -1.04 -0.02 0.00 -2.33 0.00 0.00 43.42 40.44 2pyi n LEU 131 CO 0.45 1.13 0.40 -0.83 -1.33 0.00 0.00 177.39 177.22 2pyi s GLY 132 N 0.61 -0.29 -0.15 -0.72 0.00 -1.26 -0.94 107.32 104.57 2pyi s GLY 132 Ca 0.23 0.01 -0.11 0.00 0.00 0.00 0.00 44.72 44.85 2pyi s GLY 132 CO -0.00 -0.03 0.29 0.70 0.00 0.00 0.00 173.10 174.06 2pyi n ASN 133 N -0.41 2.04 0.00 1.64 3.02 -1.26 -4.44 115.26 115.86 2pyi n ASN 133 Ca -0.10 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 2pyi n ASN 133 Cb 0.62 -0.88 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 2pyi n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pyi n GLY 134 N 1.83 1.79 0.34 7.41 0.00 -1.26 -4.93 105.19 110.36 2pyi n GLY 134 Ca -0.33 0.22 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 2pyi n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2pyi h GLY 135 N 0.00 1.24 0.89 -0.02 0.00 -1.98 -1.02 103.07 102.18 2pyi h GLY 135 Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 2pyi h GLY 135 CO 0.00 0.51 0.07 -2.00 0.00 0.00 0.00 176.54 175.12 2pyi h LEU 136 N 1.17 0.22 -0.73 3.11 6.46 -1.98 0.15 115.31 123.71 2pyi h LEU 136 Ca 0.30 -0.15 -0.07 0.00 -0.12 0.00 0.00 57.88 57.84 2pyi h LEU 136 Cb -0.03 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 39.82 2pyi h LEU 136 CO -0.05 0.31 0.14 1.23 -0.62 0.00 0.00 178.44 179.45 2pyi h GLY 137 N 0.12 1.20 1.50 3.75 0.00 -1.77 -2.62 103.07 105.25 2pyi h GLY 137 Ca 0.06 -0.77 -0.15 0.00 0.00 0.00 0.00 47.33 46.46 2pyi h GLY 137 CO -0.01 0.71 -0.52 -0.09 0.00 0.00 0.00 176.54 176.64 2pyi h ARG 138 N 1.05 0.52 -0.54 4.80 9.65 -1.06 -1.11 114.38 127.70 2pyi h ARG 138 Ca 0.21 -0.32 0.03 0.00 -1.10 0.00 0.00 59.98 58.80 2pyi h ARG 138 Cb 0.40 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.97 2pyi h ARG 138 CO 0.01 0.92 0.32 1.25 2.80 0.00 0.00 179.97 185.26 2pyi h LEU 139 N 0.41 0.50 -0.72 3.80 5.85 -0.55 0.27 115.31 124.87 2pyi h LEU 139 Ca 0.01 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.82 2pyi h LEU 139 Cb 1.05 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.92 2pyi h LEU 139 CO 0.10 0.35 0.38 0.00 -0.34 0.00 0.00 178.44 178.93 2pyi h ALA 140 N 1.25 0.99 -0.27 1.25 0.00 -1.32 0.14 119.26 121.30 2pyi h ALA 140 Ca 0.22 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2pyi h ALA 140 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2pyi h ALA 140 CO -0.11 0.02 0.05 0.00 0.00 0.00 0.00 179.25 179.21 2pyi h ALA 141 N 1.41 0.35 -0.95 0.00 0.00 -1.09 -0.74 119.26 118.24 2pyi h ALA 141 Ca 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2pyi h ALA 141 Cb 0.31 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2pyi h ALA 141 CO -0.24 0.03 0.57 0.00 0.00 0.00 0.00 179.25 179.62 2pyi h PHE 143 N 1.31 0.75 -0.38 0.00 -1.00 -0.49 -1.06 116.94 116.08 2pyi h PHE 143 Ca 0.34 -0.04 0.05 0.00 2.81 0.00 0.00 57.97 61.14 2pyi h PHE 143 Cb -0.06 -0.23 -0.05 0.00 3.61 0.00 0.00 35.95 39.22 2pyi h PHE 143 CO 0.01 0.59 0.10 -0.07 -1.61 0.00 0.00 178.31 177.32 2pyi h LEU 144 N 0.70 0.06 -0.28 1.54 4.07 -0.95 -0.03 115.31 120.42 2pyi h LEU 144 Ca 0.18 0.06 0.03 0.00 0.08 0.00 0.00 57.88 58.22 2pyi h LEU 144 Cb 0.11 0.06 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 2pyi h LEU 144 CO -0.02 0.07 0.11 -0.78 -1.08 0.00 0.00 178.44 176.74 2pyi h ASP 145 N 0.23 0.13 -0.21 -0.43 1.82 -1.19 -2.38 116.42 114.40 2pyi h ASP 145 Ca 0.18 0.02 -0.14 0.00 -0.39 0.00 0.00 57.03 56.70 2pyi h ASP 145 Cb 0.19 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.20 2pyi h ASP 145 CO -0.22 0.11 -0.39 0.28 -1.61 0.00 0.00 179.24 177.42 2pyi h SER 146 N 0.24 0.80 -0.62 2.28 0.02 -0.94 -1.63 113.55 113.70 2pyi h SER 146 Ca 0.12 -0.36 -0.04 0.00 -0.84 0.00 0.00 61.79 60.68 2pyi h SER 146 Cb 0.08 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 2pyi h SER 146 CO -0.11 1.09 0.26 0.24 -1.14 0.00 0.00 176.83 177.17 2pyi h MET 147 N 0.62 0.95 -0.34 3.45 2.86 -0.87 0.15 114.93 121.75 2pyi h MET 147 Ca 0.05 -0.15 -0.14 0.00 -2.06 0.00 0.00 59.70 57.40 2pyi h MET 147 Cb 0.93 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 2pyi h MET 147 CO 0.09 0.78 -0.33 0.00 1.06 0.00 0.00 176.91 178.50 2pyi h ALA 148 N 1.35 0.50 -0.07 6.32 0.00 -1.30 -0.61 119.26 125.45 2pyi h ALA 148 Ca 0.22 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2pyi h ALA 148 Cb 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2pyi h ALA 148 CO -0.02 0.56 -0.24 1.15 0.00 0.00 0.00 179.25 180.69 2pyi h THR 149 N 0.61 1.21 -0.43 0.00 2.02 -0.88 -2.42 112.91 113.02 2pyi h THR 149 Ca 0.06 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.26 2pyi h THR 149 Cb 0.91 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 2pyi h THR 149 CO 0.08 0.29 0.00 0.18 0.37 0.00 0.00 175.52 176.44 2pyi n LEU 150 N -4.20 2.66 -1.52 2.58 4.77 0.50 -4.54 117.00 117.25 2pyi n LEU 150 Ca -0.02 -1.33 -0.15 0.00 -0.03 0.00 0.00 56.01 54.48 2pyi n LEU 150 Cb 0.33 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 2pyi n LEU 150 CO 0.38 0.58 -0.17 0.61 -1.33 0.00 0.00 177.39 177.45 2pyi n GLY 151 N 1.06 0.25 3.79 -0.72 0.00 -0.91 -0.40 105.19 108.26 2pyi n GLY 151 Ca 0.15 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 2pyi n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pyi s LEU 152 N -3.98 4.53 -1.27 0.99 1.43 -0.27 -4.80 118.68 115.32 2pyi s LEU 152 Ca 0.00 1.54 -0.17 0.00 -1.03 0.00 0.00 54.13 54.47 2pyi s LEU 152 Cb 0.00 -3.31 -0.01 0.00 0.03 0.00 0.00 46.19 42.90 2pyi s LEU 152 CO 0.00 0.18 2.06 0.00 0.23 0.00 0.00 176.35 178.82 2pyi n ALA 153 N 1.40 4.49 -2.55 4.21 0.00 -1.26 -4.64 120.51 122.15 2pyi n ALA 153 Ca -0.05 -3.70 -0.32 0.00 0.00 0.00 0.00 53.44 49.37 2pyi n ALA 153 Cb 0.50 -3.57 -0.11 0.00 0.00 0.00 0.00 19.45 16.26 2pyi n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pyi s ALA 154 N 4.25 2.88 -0.09 0.00 0.00 -1.26 -1.13 121.76 126.42 2pyi s ALA 154 Ca 0.52 -1.08 -0.00 0.00 0.00 0.00 0.00 51.96 51.39 2pyi s ALA 154 Cb 0.11 -1.00 0.02 0.00 0.00 0.00 0.00 23.12 22.26 2pyi s ALA 154 CO -0.00 0.60 -0.05 0.71 0.00 0.00 0.00 175.76 177.02 2pyi s TYR 155 N -0.98 1.18 -0.03 0.00 2.02 0.87 -4.12 117.35 116.29 2pyi s TYR 155 Ca 0.16 -0.51 -0.25 0.00 -0.37 0.00 0.00 57.07 56.10 2pyi s TYR 155 Cb -0.11 -1.05 -0.04 0.00 -0.40 0.00 0.00 41.96 40.36 2pyi s TYR 155 CO 0.07 -0.42 0.77 0.20 -1.57 0.00 0.00 175.55 174.61 2pyi s GLY 156 N 1.65 2.72 -0.10 0.71 0.00 -1.00 -0.71 107.32 110.59 2pyi s GLY 156 Ca 0.02 0.25 0.01 0.00 0.00 0.00 0.00 44.72 45.01 2pyi s GLY 156 CO -0.06 1.26 -0.12 -0.19 0.00 0.00 0.00 173.10 173.99 2pyi s TYR 157 N 0.64 1.70 0.00 1.90 2.02 -0.41 0.12 117.35 123.31 2pyi s TYR 157 Ca 0.41 -0.77 0.00 0.00 -0.37 0.00 0.00 57.07 56.34 2pyi s TYR 157 Cb -0.19 -1.27 0.00 0.00 -0.40 0.00 0.00 41.96 40.10 2pyi s TYR 157 CO 0.21 -0.43 0.00 0.41 -1.57 0.00 0.00 175.55 174.18 2pyi n GLY 158 N 4.26 3.93 3.40 0.71 0.00 -0.72 -1.81 105.19 114.96 2pyi n GLY 158 Ca -0.19 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 2pyi n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pyi s ILE 159 N -1.52 2.68 -1.07 -0.61 1.01 -1.26 -1.39 121.20 119.03 2pyi s ILE 159 Ca 0.00 -0.86 -0.17 0.00 0.00 0.00 0.00 60.65 59.62 2pyi s ILE 159 Cb 0.00 -2.02 0.13 0.00 0.01 0.00 0.00 42.46 40.58 2pyi s ILE 159 CO 0.00 0.58 1.33 -0.60 0.00 0.00 0.00 174.94 176.24 2pyi s ARG 160 N -0.50 3.80 0.25 2.79 3.52 -0.01 -4.74 118.95 124.06 2pyi s ARG 160 Ca 0.06 -1.99 -0.31 0.00 -0.13 0.00 0.00 55.73 53.37 2pyi s ARG 160 Cb -0.12 -5.08 -0.11 0.00 -1.56 0.00 0.00 34.95 28.09 2pyi s ARG 160 CO 0.01 -1.87 1.58 0.71 -0.81 0.00 0.00 175.30 174.92 2pyi s TYR 161 N 2.71 2.89 0.28 5.12 2.02 -1.26 -4.74 117.35 124.37 2pyi s TYR 161 Ca 0.40 0.73 0.02 0.00 -0.37 0.00 0.00 57.07 57.84 2pyi s TYR 161 Cb -0.03 -4.00 0.42 0.00 -0.40 0.00 0.00 41.96 37.95 2pyi s TYR 161 CO -0.05 -3.49 1.75 1.49 -1.57 0.00 0.00 175.55 173.68 2pyi h GLU 162 N 5.57 0.55 -4.59 -0.62 4.81 -0.86 -3.41 114.58 116.03 2pyi h GLU 162 Ca -0.45 -0.18 -0.59 0.00 -0.13 0.00 0.00 59.36 58.01 2pyi h GLU 162 Cb 1.21 -0.05 -0.36 0.00 0.63 0.00 0.00 28.75 30.19 2pyi h GLU 162 CO 0.84 0.70 -0.83 -0.06 -0.73 0.00 0.00 179.01 178.93 2pyi s PHE 163 N -4.65 2.02 0.00 0.92 0.40 0.12 -4.26 117.98 112.54 2pyi s PHE 163 Ca -0.07 -1.11 0.00 0.00 -0.60 0.00 0.00 56.93 55.15 2pyi s PHE 163 Cb 0.14 -1.52 0.00 0.00 0.51 0.00 0.00 43.02 42.16 2pyi s PHE 163 CO 0.79 -0.63 0.00 0.41 0.70 0.00 0.00 175.22 176.49 2pyi n GLY 164 N 4.77 -0.11 3.74 4.36 0.00 -1.23 -1.66 105.19 115.07 2pyi n GLY 164 Ca -0.16 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 2pyi n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2pyi s ILE 165 N 0.04 2.00 0.46 -0.61 1.10 -0.33 -4.47 121.20 119.39 2pyi s ILE 165 Ca 0.00 0.00 -0.23 0.00 -0.51 0.00 0.00 60.65 59.92 2pyi s ILE 165 Cb 0.00 -3.00 -0.10 0.00 0.15 0.00 0.00 42.46 39.51 2pyi s ILE 165 CO 0.00 0.00 0.87 2.22 -2.11 0.00 0.00 174.94 175.92 2pyi n PHE 166 N 2.88 0.63 -2.37 3.50 1.16 -1.26 -4.56 117.46 117.43 2pyi n PHE 166 Ca 0.11 0.54 -0.42 0.00 -1.87 0.00 0.00 57.45 55.81 2pyi n PHE 166 Cb 0.36 -2.14 -0.03 0.00 -1.61 0.00 0.00 39.48 36.06 2pyi n PHE 166 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 2pyi s ASN 167 N -0.89 7.01 -0.18 5.98 0.02 0.09 -4.87 114.94 122.10 2pyi s ASN 167 Ca 0.65 2.02 -0.18 0.00 -1.02 0.00 0.00 52.86 54.33 2pyi s ASN 167 Cb -0.54 -2.57 -0.03 0.00 0.02 0.00 0.00 41.25 38.13 2pyi s ASN 167 CO 0.55 -0.55 0.51 -1.58 0.02 0.00 0.00 177.10 176.05 2pyi s GLN 168 N 1.51 4.23 -0.05 -0.60 0.74 -1.26 -1.28 119.66 122.94 2pyi s GLN 168 Ca 0.60 0.43 0.02 0.00 0.05 0.00 0.00 55.36 56.46 2pyi s GLN 168 Cb -0.30 -3.53 -0.03 0.00 1.10 0.00 0.00 33.01 30.26 2pyi s GLN 168 CO 0.27 -0.07 -0.09 0.15 -0.55 0.00 0.00 175.29 175.01 2pyi s LYS 169 N 1.38 2.66 -0.29 1.67 -0.14 0.08 -3.96 119.74 121.14 2pyi s LYS 169 Ca 0.25 -0.61 -0.09 0.00 -1.36 0.00 0.00 55.97 54.16 2pyi s LYS 169 Cb -0.15 -2.53 -0.02 0.00 -1.68 0.00 0.00 37.83 33.45 2pyi s LYS 169 CO 0.10 0.65 0.14 0.42 -0.76 0.00 0.00 175.35 175.89 2pyi s ILE 170 N -0.82 4.63 -0.09 2.17 -1.09 -1.26 0.69 121.20 125.43 2pyi s ILE 170 Ca 0.13 -0.28 -0.01 0.00 -2.23 0.00 0.00 60.65 58.26 2pyi s ILE 170 Cb -0.11 -3.29 0.03 0.00 -1.58 0.00 0.00 42.46 37.51 2pyi s ILE 170 CO 0.02 0.16 -0.03 0.00 -1.23 0.00 0.00 174.94 173.85 2pyi n GLY 172 N 5.05 0.78 2.00 0.00 0.00 -1.26 -1.90 105.19 109.87 2pyi n GLY 172 Ca -0.10 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2pyi n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pyi n GLY 173 N -0.88 0.70 3.59 -0.02 0.00 -1.26 -5.05 105.19 102.27 2pyi n GLY 173 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2pyi n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2pyi s TRP 174 N -2.61 2.77 0.21 1.61 0.52 -0.80 -3.72 118.94 116.92 2pyi s TRP 174 Ca 0.00 -0.14 -0.30 0.00 0.02 0.00 0.00 56.10 55.68 2pyi s TRP 174 Cb 0.00 -1.45 -0.09 0.00 -1.15 0.00 0.00 33.47 30.78 2pyi s TRP 174 CO 0.00 0.43 1.32 -1.14 0.02 0.00 0.00 176.95 177.58 2pyi s GLN 175 N -2.19 4.38 -0.02 4.98 0.74 -1.26 -0.71 119.66 125.58 2pyi s GLN 175 Ca 0.22 2.08 0.07 0.00 0.05 0.00 0.00 55.36 57.78 2pyi s GLN 175 Cb -0.11 -3.18 -0.02 0.00 1.10 0.00 0.00 33.01 30.80 2pyi s GLN 175 CO 0.14 -0.27 -0.22 -1.64 -0.55 0.00 0.00 175.29 172.75 2pyi s MET 176 N -0.17 1.85 -0.17 1.67 -1.94 0.22 -4.90 119.30 115.86 2pyi s MET 176 Ca 0.57 -0.80 -0.09 0.00 -1.71 0.00 0.00 55.69 53.66 2pyi s MET 176 Cb -0.37 -1.77 -0.05 0.00 2.01 0.00 0.00 34.83 34.66 2pyi s MET 176 CO 0.39 0.47 0.14 -1.21 -0.01 0.00 0.00 175.02 174.80 2pyi s GLU 177 N -0.48 3.92 0.06 2.03 8.01 -1.26 -0.74 118.70 130.23 2pyi s GLU 177 Ca 0.08 -0.17 0.06 0.00 0.01 0.00 0.00 54.97 54.94 2pyi s GLU 177 Cb -0.09 -3.34 -0.03 0.00 -4.31 0.00 0.00 34.13 26.37 2pyi s GLU 177 CO -0.01 0.47 -0.17 -1.21 0.01 0.00 0.00 175.26 174.36 2pyi s GLU 178 N -0.15 1.09 0.26 1.61 0.41 -0.41 -4.98 118.70 116.53 2pyi s GLU 178 Ca 0.11 -0.91 -0.31 0.00 -0.41 0.00 0.00 54.97 53.45 2pyi s GLU 178 Cb -0.11 -1.17 -0.12 0.00 -1.78 0.00 0.00 34.13 30.94 2pyi s GLU 178 CO 0.00 0.29 1.63 0.00 -0.49 0.00 0.00 175.26 176.69 2pyi n ALA 179 N 1.66 2.51 -2.93 5.21 0.00 -1.26 -0.74 120.51 124.97 2pyi n ALA 179 Ca -0.18 0.39 -0.44 0.00 0.00 0.00 0.00 53.44 53.20 2pyi n ALA 179 Cb 0.54 -2.47 -0.02 0.00 0.00 0.00 0.00 19.45 17.50 2pyi n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2pyi s ASP 180 N 0.72 6.76 -1.51 0.00 3.68 -1.26 -4.62 116.67 120.44 2pyi s ASP 180 Ca 0.68 -2.34 -0.10 0.00 2.13 0.00 0.00 52.55 52.93 2pyi s ASP 180 Cb -0.52 -2.40 -0.00 0.00 -1.45 0.00 0.00 42.92 38.55 2pyi s ASP 180 CO 0.43 -0.96 2.63 -0.67 0.13 0.00 0.00 175.17 176.72 2pyi n ASP 181 N 6.27 7.44 0.22 -0.34 4.64 -1.26 -3.48 116.55 130.03 2pyi n ASP 181 Ca 0.28 -2.78 0.16 0.00 -1.38 0.00 0.00 54.79 51.06 2pyi n ASP 181 Cb 0.47 -1.53 0.71 0.00 -1.04 0.00 0.00 41.12 39.73 2pyi n ASP 181 CO 0.00 0.00 0.00 4.11 -0.82 0.00 0.00 177.20 180.49 2pyi h TRP 182 N 5.16 0.00 -0.74 -0.67 5.08 -1.91 -2.08 115.95 120.78 2pyi h TRP 182 Ca 0.75 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.72 2pyi h TRP 182 Cb 0.38 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.54 2pyi h TRP 182 CO 1.70 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 180.14 2pyi n LEU 183 N -2.68 3.95 -0.22 0.11 4.77 -1.26 -4.61 117.00 117.06 2pyi n LEU 183 Ca 0.00 -1.97 -0.01 0.00 -0.03 0.00 0.00 56.01 54.00 2pyi n LEU 183 Cb 0.19 -0.49 0.06 0.00 -2.33 0.00 0.00 43.42 40.85 2pyi n LEU 183 CO 0.21 0.99 0.72 -0.09 -1.33 0.00 0.00 177.39 177.88 2pyi h ARG 184 N 4.32 -0.03 -0.65 3.23 2.43 -1.76 -1.08 114.38 120.84 2pyi h ARG 184 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2pyi h ARG 184 Cb 0.99 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2pyi h ARG 184 CO 0.00 -0.02 0.00 0.66 -1.51 0.00 0.00 179.97 179.10 2pyi n TYR 185 N -5.44 1.21 0.00 2.20 4.01 -1.26 -5.06 117.16 112.81 2pyi n TYR 185 Ca 0.07 -0.57 0.00 0.00 -0.16 0.00 0.00 57.90 57.24 2pyi n TYR 185 Cb 0.34 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 2pyi n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pyi n GLY 186 N 1.23 -0.21 2.90 2.72 0.00 -0.41 -4.94 105.19 106.48 2pyi n GLY 186 Ca 0.24 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.18 2pyi n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pyi s ASN 187 N -2.08 3.90 0.00 1.61 3.84 -1.26 -4.78 114.94 116.16 2pyi s ASN 187 Ca 0.00 -1.32 0.25 0.00 0.21 0.00 0.00 52.86 51.99 2pyi s ASN 187 Cb 0.00 -1.13 1.24 0.00 -0.55 0.00 0.00 41.25 40.81 2pyi s ASN 187 CO 0.00 -0.28 1.82 -0.81 -2.79 0.00 0.00 177.10 175.04 2pyi n PRO 188 N 4.68 0.34 -0.04 0.43 -0.04 -1.26 -3.71 135.00 135.41 2pyi n PRO 188 Ca -0.08 0.05 -0.21 0.00 -0.04 0.00 0.00 63.50 63.22 2pyi n PRO 188 Cb 0.44 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.26 2pyi n PRO 188 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2pyi n TRP 189 N -1.29 0.92 -2.39 0.54 7.02 -1.26 -4.86 117.44 116.12 2pyi n TRP 189 Ca 0.12 0.21 -0.34 0.00 -1.02 0.00 0.00 57.50 56.46 2pyi n TRP 189 Cb 0.20 -1.12 -0.02 0.00 -2.42 0.00 0.00 31.31 27.95 2pyi n TRP 189 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 2pyi s GLU 190 N -2.54 3.62 -0.25 -0.99 -1.05 -1.24 -4.39 118.70 111.86 2pyi s GLU 190 Ca -0.26 1.36 0.01 0.00 -0.15 0.00 0.00 54.97 55.94 2pyi s GLU 190 Cb 0.07 -2.07 0.05 0.00 -0.44 0.00 0.00 34.13 31.74 2pyi s GLU 190 CO 0.71 -0.58 -0.10 0.21 0.95 0.00 0.00 175.26 176.45 2pyi s LYS 191 N -3.43 2.45 0.27 -4.83 2.47 0.16 -4.94 119.74 111.89 2pyi s LYS 191 Ca 0.67 -1.22 -0.30 0.00 -1.56 0.00 0.00 55.97 53.56 2pyi s LYS 191 Cb -0.17 -2.91 -0.11 0.00 -1.46 0.00 0.00 37.83 33.17 2pyi s LYS 191 CO 0.25 -0.51 1.60 0.00 0.16 0.00 0.00 175.35 176.85 2pyi s ALA 192 N 1.18 3.77 -0.57 3.13 0.00 -1.26 -0.68 121.76 127.33 2pyi s ALA 192 Ca -0.05 1.55 0.06 0.00 0.00 0.00 0.00 51.96 53.52 2pyi s ALA 192 Cb -0.19 -3.65 0.29 0.00 0.00 0.00 0.00 23.12 19.58 2pyi s ALA 192 CO -0.05 -0.95 0.80 0.54 0.00 0.00 0.00 175.76 176.09 2pyi n ARG 193 N 2.50 2.49 0.29 0.00 5.12 0.16 -4.92 116.66 122.31 2pyi n ARG 193 Ca 0.09 -4.49 0.16 0.00 -1.93 0.00 0.00 57.85 51.68 2pyi n ARG 193 Cb 0.37 -2.10 0.90 0.00 -1.16 0.00 0.00 32.46 30.47 2pyi n ARG 193 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2pyi h PRO 194 N 3.60 0.00 0.00 5.56 0.13 -1.94 -1.61 132.00 137.74 2pyi h PRO 194 Ca 0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.27 2pyi h PRO 194 Cb 0.65 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.78 2pyi h PRO 194 CO 0.76 0.05 -0.06 1.05 -0.23 0.00 0.00 178.00 179.57 2pyi h GLU 195 N 0.00 0.00 -0.51 0.86 9.09 -1.95 -2.82 114.58 119.25 2pyi h GLU 195 Ca -0.00 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.29 2pyi h GLU 195 Cb 0.17 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.20 2pyi h GLU 195 CO 0.01 0.06 0.11 1.19 0.05 0.00 0.00 179.01 180.42 2pyi n PHE 196 N -3.29 1.73 -2.01 2.06 0.99 -0.60 -5.00 117.46 111.34 2pyi n PHE 196 Ca -0.01 -1.11 -0.40 0.00 -0.00 0.00 0.00 57.45 55.92 2pyi n PHE 196 Cb 0.24 -0.52 -0.01 0.00 -1.00 0.00 0.00 39.48 38.18 2pyi n PHE 196 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 2pyi s THR 197 N -2.96 2.50 0.08 4.37 2.01 -1.07 -4.65 115.64 115.91 2pyi s THR 197 Ca 0.49 0.49 0.06 0.00 0.31 0.00 0.00 61.69 63.04 2pyi s THR 197 Cb 0.40 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.58 2pyi s THR 197 CO 0.10 0.11 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.22 2pyi s LEU 198 N -2.04 2.27 0.05 4.42 1.43 -0.48 -4.94 118.68 119.40 2pyi s LEU 198 Ca 0.52 -0.62 -0.25 0.00 -1.03 0.00 0.00 54.13 52.75 2pyi s LEU 198 Cb -0.41 -0.60 -0.05 0.00 0.03 0.00 0.00 46.19 45.15 2pyi s LEU 198 CO 0.55 -0.04 0.78 -2.16 0.23 0.00 0.00 176.35 175.71 2pyi s PRO 199 N -1.73 4.51 -0.06 1.29 0.04 -1.26 0.38 135.00 138.16 2pyi s PRO 199 Ca -0.00 1.09 0.04 0.00 0.04 0.00 0.00 61.00 62.18 2pyi s PRO 199 Cb -0.10 -3.37 -0.02 0.00 0.04 0.00 0.00 34.50 31.06 2pyi s PRO 199 CO 0.03 0.27 -0.18 0.08 0.04 0.00 0.00 177.00 177.24 2pyi s VAL 200 N -0.03 2.70 -0.07 -0.36 1.01 0.59 -4.85 120.40 119.38 2pyi s VAL 200 Ca 0.39 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 2pyi s VAL 200 Cb -0.21 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 2pyi s VAL 200 CO 0.23 0.57 -0.01 -1.00 0.00 0.00 0.00 175.10 174.90 2pyi s HIS 201 N -0.42 3.10 0.09 5.22 3.76 -1.26 -0.26 115.29 125.52 2pyi s HIS 201 Ca 0.05 0.14 0.03 0.00 -0.15 0.00 0.00 55.06 55.13 2pyi s HIS 201 Cb -0.12 -1.75 -0.04 0.00 1.11 0.00 0.00 32.58 31.79 2pyi s HIS 201 CO 0.02 0.44 -0.10 -0.06 -0.85 0.00 0.00 174.74 174.19 2pyi s PHE 202 N -0.91 1.02 0.00 1.40 0.40 0.79 -4.96 117.98 115.72 2pyi s PHE 202 Ca 0.14 -0.66 0.00 0.00 -0.60 0.00 0.00 56.93 55.81 2pyi s PHE 202 Cb -0.11 -0.56 0.00 0.00 0.51 0.00 0.00 43.02 42.85 2pyi s PHE 202 CO 0.04 -0.02 0.00 0.66 0.70 0.00 0.00 175.22 176.60 2pyi n TYR 203 N 0.59 0.00 -4.44 0.36 4.01 0.77 -0.49 117.16 117.95 2pyi n TYR 203 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 2pyi n TYR 203 Cb 0.58 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 2pyi n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pyi n GLY 204 N 0.00 -0.03 3.64 2.72 0.00 -1.24 -4.57 105.19 105.71 2pyi n GLY 204 Ca 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 2pyi n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2pyi s ARG 205 N 0.00 1.54 -0.18 1.61 1.70 -0.40 -4.85 118.95 118.37 2pyi s ARG 205 Ca 0.00 -0.91 -0.07 0.00 -0.47 0.00 0.00 55.73 54.28 2pyi s ARG 205 Cb 0.00 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 34.90 2pyi s ARG 205 CO 0.00 -0.67 0.05 0.08 -1.08 0.00 0.00 175.30 173.68 2pyi s VAL 206 N -3.89 4.70 -0.29 4.99 1.01 -1.26 -0.79 120.40 124.87 2pyi s VAL 206 Ca 0.10 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 2pyi s VAL 206 Cb -0.03 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 2pyi s VAL 206 CO 0.01 0.46 0.12 -1.61 0.00 0.00 0.00 175.10 174.08 2pyi s GLU 207 N 0.40 3.45 -0.41 2.72 2.02 0.97 -4.92 118.70 122.93 2pyi s GLU 207 Ca 0.02 -0.63 -0.19 0.00 0.02 0.00 0.00 54.97 54.19 2pyi s GLU 207 Cb -0.13 -3.47 0.02 0.00 0.10 0.00 0.00 34.13 30.65 2pyi s GLU 207 CO 0.01 -0.33 0.54 -1.01 0.02 0.00 0.00 175.26 174.48 2pyi s HIS 208 N 1.61 3.13 0.00 1.61 3.76 -1.26 0.56 115.29 124.70 2pyi s HIS 208 Ca 0.05 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.83 2pyi s HIS 208 Cb -0.16 -3.09 0.00 0.00 1.11 0.00 0.00 32.58 30.44 2pyi s HIS 208 CO 0.05 -0.74 0.00 0.25 -0.85 0.00 0.00 174.74 173.45 2pyi n THR 209 N 5.61 0.00 0.03 1.30 -2.24 0.12 -4.96 114.28 114.14 2pyi n THR 209 Ca -0.04 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.55 2pyi n THR 209 Cb 0.48 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.62 2pyi n THR 209 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2pyi h SER 210 N 0.00 0.88 1.01 3.42 0.87 -2.01 -3.11 113.55 114.62 2pyi h SER 210 Ca 0.00 -0.68 -0.06 0.00 -1.23 0.00 0.00 61.79 59.82 2pyi h SER 210 Cb 0.00 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 2pyi h SER 210 CO 0.00 1.48 -0.28 1.56 -0.53 0.00 0.00 176.83 179.06 2pyi h GLN 211 N 0.41 0.00 0.00 2.24 1.08 -1.99 -3.50 115.11 113.35 2pyi h GLN 211 Ca -0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2pyi h GLN 211 Cb 1.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.06 2pyi h GLN 211 CO 0.19 0.28 0.00 0.41 -0.95 0.00 0.00 178.83 178.76 2pyi n GLY 212 N 0.33 0.61 3.81 3.46 0.00 -1.18 -5.09 105.19 107.13 2pyi n GLY 212 Ca 0.00 -1.73 -0.35 0.00 0.00 0.00 0.00 46.02 43.94 2pyi n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pyi s ALA 213 N -1.28 3.28 -0.04 4.61 0.00 -1.26 0.15 121.76 127.23 2pyi s ALA 213 Ca 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 51.96 52.24 2pyi s ALA 213 Cb 0.00 -2.97 0.03 0.00 0.00 0.00 0.00 23.12 20.18 2pyi s ALA 213 CO 0.00 0.26 0.02 0.15 0.00 0.00 0.00 175.76 176.18 2pyi s LYS 214 N -2.34 0.26 -0.43 0.00 1.02 0.19 -4.85 119.74 113.58 2pyi s LYS 214 Ca 0.50 0.17 -0.23 0.00 0.02 0.00 0.00 55.97 56.43 2pyi s LYS 214 Cb -0.15 -0.60 0.02 0.00 -0.52 0.00 0.00 37.83 36.59 2pyi s LYS 214 CO 0.20 -0.23 0.76 -0.46 -0.92 0.00 0.00 175.35 174.70 2pyi s TRP 215 N 1.55 3.02 0.35 3.18 -0.00 -1.26 -0.02 118.94 125.77 2pyi s TRP 215 Ca -0.02 0.18 0.05 0.00 -0.00 0.00 0.00 56.10 56.31 2pyi s TRP 215 Cb -0.13 -3.56 -0.07 0.00 -0.00 0.00 0.00 33.47 29.72 2pyi s TRP 215 CO -0.03 -0.92 0.02 0.14 -0.00 0.00 0.00 176.95 176.16 2pyi s VAL 216 N 3.17 1.55 -1.71 5.86 -7.23 0.03 -4.80 120.40 117.26 2pyi s VAL 216 Ca 0.29 -2.02 -0.01 0.00 -1.81 0.00 0.00 61.98 58.43 2pyi s VAL 216 Cb -0.13 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 34.00 2pyi s VAL 216 CO 0.21 -0.05 0.08 0.47 -0.31 0.00 0.00 175.10 175.50 2pyi n ASP 217 N -0.77 -5.82 -4.86 4.85 10.43 -1.26 -1.28 116.55 117.85 2pyi n ASP 217 Ca -0.04 -0.04 -0.31 0.00 2.57 0.00 0.00 54.79 56.97 2pyi n ASP 217 Cb 0.66 -4.83 -0.01 0.00 1.84 0.00 0.00 41.12 38.78 2pyi n ASP 217 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2pyi s THR 218 N -3.03 4.64 -0.01 -3.53 -4.23 -1.26 -3.63 115.64 104.58 2pyi s THR 218 Ca 0.04 0.99 -0.16 0.00 -1.18 0.00 0.00 61.69 61.38 2pyi s THR 218 Cb -0.02 -3.79 -0.06 0.00 1.34 0.00 0.00 72.50 69.98 2pyi s THR 218 CO 0.05 -0.88 0.43 -1.10 -0.54 0.00 0.00 174.62 172.58 2pyi s GLN 219 N -4.56 4.01 -0.13 3.99 -0.21 0.35 -4.89 119.66 118.23 2pyi s GLN 219 Ca 0.56 0.45 -0.06 0.00 0.02 0.00 0.00 55.36 56.33 2pyi s GLN 219 Cb -0.10 -3.25 -0.04 0.00 1.00 0.00 0.00 33.01 30.61 2pyi s GLN 219 CO 0.41 0.61 0.08 0.08 -2.12 0.00 0.00 175.29 174.35 2pyi s VAL 220 N -0.84 4.97 -0.09 1.09 1.01 -1.26 -0.15 120.40 125.14 2pyi s VAL 220 Ca 0.24 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.27 2pyi s VAL 220 Cb -0.17 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.05 2pyi s VAL 220 CO 0.13 0.56 -0.17 -0.69 0.00 0.00 0.00 175.10 174.94 2pyi s VAL 221 N -0.55 1.57 0.31 2.92 1.01 0.64 -4.36 120.40 121.94 2pyi s VAL 221 Ca 0.11 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 61.13 2pyi s VAL 221 Cb -0.12 -1.40 -0.10 0.00 0.00 0.00 0.00 36.38 34.77 2pyi s VAL 221 CO 0.02 0.45 0.89 -0.76 0.00 0.00 0.00 175.10 175.71 2pyi s LEU 222 N 0.63 4.31 -0.31 3.92 1.43 0.38 -0.30 118.68 128.73 2pyi s LEU 222 Ca -0.14 1.72 -0.03 0.00 -1.03 0.00 0.00 54.13 54.66 2pyi s LEU 222 Cb -0.16 -3.95 0.05 0.00 0.03 0.00 0.00 46.19 42.15 2pyi s LEU 222 CO 0.04 -0.07 0.03 0.00 0.23 0.00 0.00 176.35 176.59 2pyi s ALA 223 N -1.64 2.87 -0.26 4.21 0.00 0.16 -0.93 121.76 126.18 2pyi s ALA 223 Ca 0.49 -1.80 -0.14 0.00 0.00 0.00 0.00 51.96 50.52 2pyi s ALA 223 Cb -0.17 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 2pyi s ALA 223 CO 0.22 -1.31 0.32 1.41 0.00 0.00 0.00 175.76 176.40 2pyi s MET 224 N 1.28 4.03 0.24 0.00 1.75 0.38 -1.39 119.30 125.59 2pyi s MET 224 Ca -0.04 -0.03 -0.26 0.00 -1.25 0.00 0.00 55.69 54.11 2pyi s MET 224 Cb -0.20 -3.63 -0.09 0.00 2.84 0.00 0.00 34.83 33.76 2pyi s MET 224 CO -0.00 -0.19 0.86 -1.25 -0.65 0.00 0.00 175.02 173.79 2pyi s PRO 225 N 1.79 4.59 -0.15 4.11 0.04 -1.26 0.17 135.00 144.29 2pyi s PRO 225 Ca 0.13 1.24 0.01 0.00 0.04 0.00 0.00 61.00 62.43 2pyi s PRO 225 Cb -0.15 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 31.33 2pyi s PRO 225 CO 0.09 0.45 -0.19 0.71 0.04 0.00 0.00 177.00 178.10 2pyi s TYR 226 N -1.35 2.51 -0.18 0.56 1.51 0.17 -0.67 117.35 119.91 2pyi s TYR 226 Ca 0.42 -1.38 -0.09 0.00 -1.01 0.00 0.00 57.07 55.02 2pyi s TYR 226 Cb -0.21 -1.76 -0.05 0.00 -0.11 0.00 0.00 41.96 39.83 2pyi s TYR 226 CO 0.26 -0.68 0.12 -0.51 -1.11 0.00 0.00 175.55 173.63 2pyi s ASP 227 N 1.15 6.13 -0.09 2.29 -0.00 0.14 -1.29 116.67 125.01 2pyi s ASP 227 Ca -0.00 0.26 0.04 0.00 -0.00 0.00 0.00 52.55 52.85 2pyi s ASP 227 Cb -0.14 -2.05 -0.01 0.00 -0.00 0.00 0.00 42.92 40.73 2pyi s ASP 227 CO -0.08 0.23 -0.23 -0.89 -0.00 0.00 0.00 175.17 174.21 2pyi s THR 228 N 0.03 2.20 0.38 -1.27 2.01 0.43 0.36 115.64 119.78 2pyi s THR 228 Ca 0.09 -0.99 -0.26 0.00 0.31 0.00 0.00 61.69 60.84 2pyi s THR 228 Cb -0.11 -1.83 -0.09 0.00 0.01 0.00 0.00 72.50 70.47 2pyi s THR 228 CO -0.00 0.56 1.21 -2.16 -0.69 0.00 0.00 174.62 173.54 2pyi s PRO 229 N 0.13 4.14 -0.39 4.92 0.04 -1.26 -0.58 135.00 141.99 2pyi s PRO 229 Ca -0.12 1.96 0.02 0.00 0.04 0.00 0.00 61.00 62.90 2pyi s PRO 229 Cb -0.16 -2.80 0.12 0.00 0.04 0.00 0.00 34.50 31.69 2pyi s PRO 229 CO 0.07 -0.28 0.16 0.08 0.04 0.00 0.00 177.00 177.06 2pyi s VAL 230 N -1.32 1.58 0.07 -0.36 1.01 0.48 -4.84 120.40 117.03 2pyi s VAL 230 Ca 0.55 -2.27 -0.30 0.00 0.00 0.00 0.00 61.98 59.96 2pyi s VAL 230 Cb -0.34 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 2pyi s VAL 230 CO 0.43 -0.76 1.01 -2.16 0.00 0.00 0.00 175.10 173.62 2pyi s PRO 231 N 0.76 4.61 0.76 2.72 0.04 -1.26 -0.99 135.00 141.63 2pyi s PRO 231 Ca 0.14 1.50 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 2pyi s PRO 231 Cb -0.21 -3.39 0.05 0.00 0.04 0.00 0.00 34.50 30.98 2pyi s PRO 231 CO -0.09 0.05 1.09 0.20 0.04 0.00 0.00 177.00 178.30 2pyi s GLY 232 N 0.46 1.63 -0.65 0.56 0.00 -0.18 -4.76 107.32 104.39 2pyi s GLY 232 Ca 0.50 -0.23 -0.27 0.00 0.00 0.00 0.00 44.72 44.72 2pyi s GLY 232 CO 0.30 0.16 1.55 -0.47 0.00 0.00 0.00 173.10 174.65 2pyi s TYR 233 N -3.22 2.02 -1.27 1.90 6.14 -1.26 -4.21 117.35 117.44 2pyi s TYR 233 Ca 0.60 0.40 -0.08 0.00 0.64 0.00 0.00 57.07 58.63 2pyi s TYR 233 Cb -0.13 -4.35 0.06 0.00 0.42 0.00 0.00 41.96 37.95 2pyi s TYR 233 CO 0.53 -2.17 0.44 0.54 0.64 0.00 0.00 175.55 175.53 2pyi n ARG 234 N 9.15 -3.42 -0.03 4.97 1.74 -0.12 -4.82 116.66 124.13 2pyi n ARG 234 Ca 0.12 0.53 0.01 0.00 -0.77 0.00 0.00 57.85 57.74 2pyi n ARG 234 Cb 0.50 -5.24 0.03 0.00 -1.02 0.00 0.00 32.46 26.74 2pyi n ARG 234 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2pyi n ASN 235 N -2.25 1.94 -0.95 0.55 2.04 -1.26 -4.94 115.26 110.39 2pyi n ASN 235 Ca -0.04 -1.73 -0.12 0.00 -0.44 0.00 0.00 54.58 52.24 2pyi n ASN 235 Cb 0.56 -0.04 -0.05 0.00 -2.53 0.00 0.00 39.78 37.71 2pyi n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2pyi n ASN 236 N -0.12 -5.32 -4.73 0.53 3.02 -1.26 -0.57 115.26 106.81 2pyi n ASN 236 Ca 0.03 0.31 -0.37 0.00 -0.03 0.00 0.00 54.58 54.51 2pyi n ASN 236 Cb 0.23 -3.91 -0.06 0.00 -0.61 0.00 0.00 39.78 35.42 2pyi n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2pyi s VAL 237 N -2.18 5.22 -0.25 2.41 1.01 -1.26 -4.75 120.40 120.60 2pyi s VAL 237 Ca 0.00 0.78 -0.01 0.00 0.00 0.00 0.00 61.98 62.75 2pyi s VAL 237 Cb 0.00 -3.73 0.08 0.00 0.00 0.00 0.00 36.38 32.72 2pyi s VAL 237 CO 0.00 0.37 0.05 -0.69 0.00 0.00 0.00 175.10 174.83 2pyi s VAL 238 N 0.43 0.81 0.40 2.92 1.01 -1.26 -1.01 120.40 123.71 2pyi s VAL 238 Ca 0.22 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 2pyi s VAL 238 Cb -0.14 -1.40 0.08 0.00 0.00 0.00 0.00 36.38 34.92 2pyi s VAL 238 CO 0.08 -0.39 0.55 0.59 0.00 0.00 0.00 175.10 175.93 2pyi n ASN 239 N 4.91 0.53 -4.09 3.32 3.02 -0.16 -4.61 115.26 118.18 2pyi n ASN 239 Ca -0.07 -1.49 -0.25 0.00 -0.03 0.00 0.00 54.58 52.74 2pyi n ASN 239 Cb 0.44 -0.37 -0.16 0.00 -0.61 0.00 0.00 39.78 39.08 2pyi n ASN 239 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2pyi s THR 240 N -1.70 1.30 -0.30 3.41 2.01 -1.26 -0.38 115.64 118.72 2pyi s THR 240 Ca 0.35 -0.62 -0.10 0.00 0.31 0.00 0.00 61.69 61.62 2pyi s THR 240 Cb -0.02 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 2pyi s THR 240 CO 0.23 0.38 0.17 -0.32 -0.69 0.00 0.00 174.62 174.40 2pyi s MET 241 N 0.28 3.66 -0.25 4.92 1.75 0.25 -2.37 119.30 127.53 2pyi s MET 241 Ca -0.08 -0.51 -0.08 0.00 -1.25 0.00 0.00 55.69 53.77 2pyi s MET 241 Cb -0.13 -3.61 -0.03 0.00 2.84 0.00 0.00 34.83 33.90 2pyi s MET 241 CO 0.03 -0.30 0.08 0.50 -0.65 0.00 0.00 175.02 174.69 2pyi s ARG 242 N 1.69 3.69 -0.12 4.11 3.52 0.12 -0.42 118.95 131.54 2pyi s ARG 242 Ca 0.06 -0.46 0.03 0.00 -0.13 0.00 0.00 55.73 55.23 2pyi s ARG 242 Cb -0.16 -3.36 -0.00 0.00 -1.56 0.00 0.00 34.95 29.87 2pyi s ARG 242 CO 0.09 -0.18 -0.21 -0.51 -0.81 0.00 0.00 175.30 173.68 2pyi s LEU 243 N 1.61 2.26 0.05 -0.88 1.43 -0.41 -1.76 118.68 120.97 2pyi s LEU 243 Ca 0.06 -0.51 -0.19 0.00 -1.03 0.00 0.00 54.13 52.46 2pyi s LEU 243 Cb -0.15 -1.47 -0.06 0.00 0.03 0.00 0.00 46.19 44.53 2pyi s LEU 243 CO 0.04 0.14 0.56 0.26 0.23 0.00 0.00 176.35 177.59 2pyi s TRP 244 N 0.45 3.77 -0.08 0.29 0.52 -0.49 -0.65 118.94 122.75 2pyi s TRP 244 Ca -0.14 1.23 0.04 0.00 0.02 0.00 0.00 56.10 57.25 2pyi s TRP 244 Cb -0.17 -2.51 -0.01 0.00 -1.15 0.00 0.00 33.47 29.63 2pyi s TRP 244 CO 0.06 0.53 -0.21 0.45 0.02 0.00 0.00 176.95 177.80 2pyi s SER 245 N -0.86 3.41 0.05 2.95 0.15 0.13 -0.83 113.70 118.70 2pyi s SER 245 Ca 0.29 -0.44 -0.30 0.00 0.70 0.00 0.00 55.95 56.20 2pyi s SER 245 Cb -0.19 -1.15 -0.05 0.00 -1.71 0.00 0.00 66.02 62.92 2pyi s SER 245 CO 0.18 0.22 1.10 0.00 1.20 0.00 0.00 173.24 175.94 2pyi s ALA 246 N -0.00 3.30 -0.02 5.45 0.00 -1.26 -0.47 121.76 128.75 2pyi s ALA 246 Ca -0.07 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.63 2pyi s ALA 246 Cb -0.15 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2pyi s ALA 246 CO 0.05 -0.32 -0.07 0.15 0.00 0.00 0.00 175.76 175.58 2pyi s LYS 247 N 0.84 0.69 0.36 0.00 -0.14 -0.11 -4.62 119.74 116.76 2pyi s LYS 247 Ca 0.55 -0.22 -0.28 0.00 -1.36 0.00 0.00 55.97 54.66 2pyi s LYS 247 Cb -0.26 -0.67 -0.10 0.00 -1.68 0.00 0.00 37.83 35.12 2pyi s LYS 247 CO 0.29 0.09 1.31 0.00 -0.76 0.00 0.00 175.35 176.28 2pyi s ALA 248 N 0.16 3.42 0.82 5.17 0.00 -1.26 -0.47 121.76 129.60 2pyi s ALA 248 Ca -0.02 1.26 -0.11 0.00 0.00 0.00 0.00 51.96 53.09 2pyi s ALA 248 Cb -0.07 -3.48 0.09 0.00 0.00 0.00 0.00 23.12 19.66 2pyi s ALA 248 CO -0.00 -0.71 1.13 -1.25 0.00 0.00 0.00 175.76 174.93 2pyi s PRO 249 N -1.95 1.77 -0.71 0.00 0.04 -1.26 -4.78 135.00 128.10 2pyi s PRO 249 Ca 0.52 1.40 -0.25 0.00 0.04 0.00 0.00 61.00 62.71 2pyi s PRO 249 Cb -0.39 -1.82 -0.20 0.00 0.04 0.00 0.00 34.50 32.12 2pyi s PRO 249 CO 0.52 -2.05 1.87 0.09 0.04 0.00 0.00 177.00 177.47 2pyi n ASN 250 N -3.66 2.17 -0.33 6.66 4.13 -1.26 -5.09 115.26 117.88 2pyi n ASN 250 Ca 0.11 -2.62 -0.02 0.00 1.68 0.00 0.00 54.58 53.72 2pyi n ASN 250 Cb 0.52 -1.16 0.00 0.00 -1.54 0.00 0.00 39.78 37.60 2pyi n ASN 250 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2pyi n GLY 261 N 5.07 -0.21 0.18 7.41 0.00 -1.26 -5.22 105.19 111.15 2pyi n GLY 261 Ca 0.47 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 46.38 2pyi n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2pyi h TYR 262 N -0.10 -0.33 -0.14 1.61 3.20 -2.06 -1.02 116.97 118.12 2pyi h TYR 262 Ca -0.02 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.86 2pyi h TYR 262 Cb 0.09 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 2pyi h TYR 262 CO -0.06 -0.20 0.07 0.82 -1.64 0.00 0.00 178.16 177.16 2pyi h ILE 263 N -0.22 1.00 -0.75 1.81 1.08 -2.05 -2.25 117.51 116.13 2pyi h ILE 263 Ca 0.05 -0.05 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 2pyi h ILE 263 Cb 0.28 0.84 -0.06 0.00 -3.07 0.00 0.00 36.82 34.81 2pyi h ILE 263 CO -0.13 0.03 0.45 -0.61 -0.69 0.00 0.00 178.15 177.20 2pyi h GLN 264 N 0.15 0.82 -0.96 2.37 5.75 -1.96 -0.37 115.11 120.91 2pyi h GLN 264 Ca 0.06 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.56 2pyi h GLN 264 Cb 0.01 -0.18 -0.06 0.00 1.07 0.00 0.00 27.48 28.31 2pyi h GLN 264 CO -0.04 0.54 0.62 0.00 -2.65 0.00 0.00 178.83 177.31 2pyi h ALA 265 N 1.36 1.31 -0.33 3.38 0.00 -0.84 0.36 119.26 124.50 2pyi h ALA 265 Ca 0.33 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 2pyi h ALA 265 Cb 0.14 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2pyi h ALA 265 CO -0.16 0.45 -0.36 0.28 0.00 0.00 0.00 179.25 179.46 2pyi h VAL 266 N 1.17 1.29 -0.42 0.00 2.07 -0.76 -3.00 116.25 116.59 2pyi h VAL 266 Ca 0.40 -1.53 -0.06 0.00 0.82 0.00 0.00 66.70 66.33 2pyi h VAL 266 Cb 0.09 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 2pyi h VAL 266 CO -0.15 0.50 0.02 -0.07 0.02 0.00 0.00 177.57 177.90 2pyi h LEU 267 N 0.61 0.63 -0.15 2.57 3.38 -0.45 -2.78 115.31 119.12 2pyi h LEU 267 Ca 0.05 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2pyi h LEU 267 Cb 0.95 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2pyi h LEU 267 CO 0.09 0.69 0.00 0.47 0.09 0.00 0.00 178.44 179.78 2pyi n ASP 268 N -4.25 0.11 0.23 -0.43 8.00 0.12 -1.61 116.55 118.72 2pyi n ASP 268 Ca 0.02 0.53 0.16 0.00 0.71 0.00 0.00 54.79 56.22 2pyi n ASP 268 Cb 0.26 -0.55 0.85 0.00 -0.02 0.00 0.00 41.12 41.66 2pyi n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2pyi h ARG 269 N 0.00 0.00 -0.41 -1.24 3.08 -1.47 -2.32 114.38 112.02 2pyi h ARG 269 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 2pyi h ARG 269 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2pyi h ARG 269 CO 0.00 0.00 0.28 -0.91 -1.07 0.00 0.00 179.97 178.27 2pyi h ASN 270 N 0.00 0.31 0.09 7.04 2.35 -1.52 -2.84 115.58 121.01 2pyi h ASN 270 Ca 0.06 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2pyi h ASN 270 Cb 0.34 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2pyi h ASN 270 CO -0.00 0.21 -0.05 -0.07 -1.65 0.00 0.00 177.43 175.87 2pyi h LEU 271 N 0.36 -0.11 -0.90 1.61 3.38 -1.65 0.14 115.31 118.15 2pyi h LEU 271 Ca 0.18 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2pyi h LEU 271 Cb 0.25 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2pyi h LEU 271 CO -0.04 0.06 0.47 0.00 0.09 0.00 0.00 178.44 179.02 2pyi h ALA 272 N 0.63 1.15 0.00 1.53 0.00 -1.72 -2.78 119.26 118.07 2pyi h ALA 272 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2pyi h ALA 272 Cb 0.22 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2pyi h ALA 272 CO 0.02 0.67 0.00 0.93 0.00 0.00 0.00 179.25 180.87 2pyi h GLU 273 N 1.26 0.00 0.00 0.00 5.08 -1.21 -2.78 114.58 116.92 2pyi h GLU 273 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2pyi h GLU 273 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2pyi h GLU 273 CO -0.05 0.00 0.00 -0.91 -1.00 0.00 0.00 179.01 177.05 2pyi h ASN 274 N 0.00 0.00 -0.85 1.42 2.35 -0.43 -3.17 115.58 114.90 2pyi h ASN 274 Ca 0.00 0.00 0.14 0.00 -0.55 0.00 0.00 56.30 55.89 2pyi h ASN 274 Cb 0.57 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.85 2pyi h ASN 274 CO 0.00 0.00 0.46 0.40 -1.65 0.00 0.00 177.43 176.64 2pyi h ILE 275 N 0.00 0.77 -0.59 2.81 2.04 -1.64 -1.28 117.51 119.62 2pyi h ILE 275 Ca 0.00 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 2pyi h ILE 275 Cb 0.22 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.29 2pyi h ILE 275 CO 0.00 0.12 0.09 -1.54 0.00 0.00 0.00 178.15 176.83 2pyi n SER 276 N -4.83 5.15 -0.04 1.72 3.41 -1.20 -4.66 113.62 113.18 2pyi n SER 276 Ca 0.17 -3.07 -0.13 0.00 -0.26 0.00 0.00 58.87 55.57 2pyi n SER 276 Cb 0.40 -0.69 -0.08 0.00 -0.26 0.00 0.00 64.21 63.58 2pyi n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2pyi h ARG 277 N 3.21 0.21 -2.88 4.33 9.65 -1.35 -1.81 114.38 125.74 2pyi h ARG 277 Ca 0.10 -0.12 -0.14 0.00 -1.10 0.00 0.00 59.98 58.73 2pyi h ARG 277 Cb 2.04 0.01 -0.25 0.00 -1.39 0.00 0.00 29.97 30.38 2pyi h ARG 277 CO 0.55 0.66 -0.31 0.54 2.80 0.00 0.00 179.97 184.21 2pyi s VAL 278 N -4.20 -0.00 0.11 0.20 0.11 -1.26 -0.70 120.40 114.65 2pyi s VAL 278 Ca -0.15 0.01 -0.31 0.00 -2.93 0.00 0.00 61.98 58.60 2pyi s VAL 278 Cb 0.04 -0.50 -0.08 0.00 -1.53 0.00 0.00 36.38 34.31 2pyi s VAL 278 CO 0.72 0.00 1.39 -0.22 -3.33 0.00 0.00 175.10 173.66 2pyi s LEU 279 N 0.28 4.37 -0.00 2.54 2.96 -0.66 -4.98 118.68 123.18 2pyi s LEU 279 Ca -0.01 2.32 -0.30 0.00 -0.22 0.00 0.00 54.13 55.92 2pyi s LEU 279 Cb -0.03 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 43.00 2pyi s LEU 279 CO -0.00 -0.65 1.74 -0.31 -1.32 0.00 0.00 176.35 175.81 2pyi s TYR 280 N 1.13 1.86 -2.26 5.38 1.51 -1.26 -4.82 117.35 118.89 2pyi s TYR 280 Ca 0.65 0.03 0.29 0.00 -1.01 0.00 0.00 57.07 57.03 2pyi s TYR 280 Cb -0.37 -4.02 1.41 0.00 -0.11 0.00 0.00 41.96 38.87 2pyi s TYR 280 CO 0.30 -4.35 1.94 -0.35 -1.11 0.00 0.00 175.55 171.99 2pyi n PRO 281 N 6.95 1.36 -3.19 -1.71 -0.04 -1.26 -4.81 135.00 132.30 2pyi n PRO 281 Ca 0.18 -0.53 -0.39 0.00 -0.04 0.00 0.00 63.50 62.72 2pyi n PRO 281 Cb 0.42 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 2pyi n PRO 281 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2pyi s ASN 282 N -1.97 6.78 -0.08 3.54 4.22 -1.26 -4.50 114.94 121.66 2pyi s ASN 282 Ca 0.42 0.93 0.12 0.00 -2.14 0.00 0.00 52.86 52.19 2pyi s ASN 282 Cb 0.21 -2.34 0.29 0.00 1.28 0.00 0.00 41.25 40.69 2pyi s ASN 282 CO 0.34 -0.09 1.21 -0.90 -2.04 0.00 0.00 177.10 175.63 2pyi n ASP 283 N 3.97 2.81 -3.46 3.54 5.75 -1.26 -4.99 116.55 122.91 2pyi n ASP 283 Ca -0.04 -2.57 -0.09 0.00 -0.01 0.00 0.00 54.79 52.08 2pyi n ASP 283 Cb 0.51 -0.32 -0.01 0.00 -1.03 0.00 0.00 41.12 40.28 2pyi n ASP 283 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2pyi s ASN 284 N -1.76 -0.04 -0.54 -1.12 2.47 -1.26 -5.02 114.94 107.66 2pyi s ASN 284 Ca 0.25 -0.93 -0.13 0.00 0.42 0.00 0.00 52.86 52.47 2pyi s ASN 284 Cb 0.19 0.76 0.02 0.00 -1.45 0.00 0.00 41.25 40.77 2pyi s ASN 284 CO 0.07 -1.46 0.64 0.49 -3.72 0.00 0.00 177.10 173.12 2pyi n PHE 285 N -0.49 -3.18 -1.66 0.43 3.01 -1.16 -4.85 117.46 109.56 2pyi n PHE 285 Ca -0.05 1.27 -0.50 0.00 1.01 0.00 0.00 57.45 59.17 2pyi n PHE 285 Cb 0.60 -3.76 -0.05 0.00 -0.01 0.00 0.00 39.48 36.26 2pyi n PHE 285 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2pyi n PHE 286 N -0.84 2.06 -4.05 1.38 -0.00 0.15 -4.97 117.46 111.19 2pyi n PHE 286 Ca 0.04 0.34 -0.34 0.00 -0.00 0.00 0.00 57.45 57.49 2pyi n PHE 286 Cb 0.51 -2.51 -0.15 0.00 -0.00 0.00 0.00 39.48 37.33 2pyi n PHE 286 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 2pyi s GLU 287 N 2.19 3.05 -0.81 -4.13 2.12 -1.26 -5.03 118.70 114.83 2pyi s GLU 287 Ca 0.88 -0.81 -0.06 0.00 0.36 0.00 0.00 54.97 55.34 2pyi s GLU 287 Cb -0.83 -2.74 -0.07 0.00 0.26 0.00 0.00 34.13 30.75 2pyi s GLU 287 CO 0.49 -0.24 2.21 0.41 -0.54 0.00 0.00 175.26 177.60 2pyi n GLY 288 N 4.66 3.04 3.71 -1.50 0.00 -1.26 -4.91 105.19 108.94 2pyi n GLY 288 Ca -0.20 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 2pyi n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pyi s LYS 289 N 3.05 4.45 0.30 1.61 -0.14 -1.26 -4.94 119.74 122.82 2pyi s LYS 289 Ca 0.42 1.73 -0.02 0.00 -1.36 0.00 0.00 55.97 56.74 2pyi s LYS 289 Cb 0.12 -3.35 0.45 0.00 -1.68 0.00 0.00 37.83 33.37 2pyi s LYS 289 CO -0.03 -0.22 1.97 1.49 -0.76 0.00 0.00 175.35 177.80 2pyi h GLU 290 N 6.70 1.07 -0.70 1.68 4.81 -1.99 -2.22 114.58 123.92 2pyi h GLU 290 Ca -0.42 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 58.70 2pyi h GLU 290 Cb 1.21 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.32 2pyi h GLU 290 CO 0.80 0.71 0.27 1.25 -0.73 0.00 0.00 179.01 181.31 2pyi h LEU 291 N 1.10 0.96 -0.59 1.64 5.85 -1.99 0.11 115.31 122.38 2pyi h LEU 291 Ca 0.30 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2pyi h LEU 291 Cb -0.12 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.63 2pyi h LEU 291 CO -0.06 0.86 0.29 -0.09 -0.34 0.00 0.00 178.44 179.10 2pyi h ARG 292 N 1.02 0.85 -0.86 1.25 9.65 -1.83 -0.91 114.38 123.54 2pyi h ARG 292 Ca 0.23 -0.12 -0.02 0.00 -1.10 0.00 0.00 59.98 58.97 2pyi h ARG 292 Cb 0.21 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.60 2pyi h ARG 292 CO -0.02 0.68 0.44 1.25 2.80 0.00 0.00 179.97 185.12 2pyi h LEU 293 N 0.81 1.09 -0.54 3.80 5.85 -0.81 -1.09 115.31 124.42 2pyi h LEU 293 Ca 0.20 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2pyi h LEU 293 Cb 0.11 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2pyi h LEU 293 CO -0.03 0.90 0.30 0.11 -0.34 0.00 0.00 178.44 179.38 2pyi h LYS 294 N 1.21 0.76 -0.47 1.25 1.57 -0.70 -1.33 116.57 118.86 2pyi h LYS 294 Ca 0.30 -0.09 0.05 0.00 -1.87 0.00 0.00 60.65 59.04 2pyi h LYS 294 Cb 0.07 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 2pyi h LYS 294 CO -0.04 0.59 0.21 1.96 -0.57 0.00 0.00 179.45 181.59 2pyi h GLN 295 N 0.73 0.40 -0.40 3.15 4.20 -0.73 0.20 115.11 122.66 2pyi h GLN 295 Ca 0.19 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 2pyi h GLN 295 Cb 0.05 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2pyi h GLN 295 CO -0.03 0.26 0.14 0.93 -0.67 0.00 0.00 178.83 179.46 2pyi h GLU 296 N 0.41 0.61 -0.44 1.46 5.08 -0.97 -2.15 114.58 118.58 2pyi h GLU 296 Ca 0.21 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 2pyi h GLU 296 Cb 0.16 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2pyi h GLU 296 CO -0.18 0.59 -0.25 -0.92 -1.00 0.00 0.00 179.01 177.25 2pyi h TYR 297 N 0.50 1.06 -0.33 4.33 3.20 -1.06 -2.56 116.97 122.11 2pyi h TYR 297 Ca 0.13 -0.27 0.07 0.00 3.14 0.00 0.00 58.73 61.80 2pyi h TYR 297 Cb 0.23 -0.24 -0.08 0.00 1.54 0.00 0.00 36.73 38.17 2pyi h TYR 297 CO 0.01 1.07 -0.37 0.35 -1.64 0.00 0.00 178.16 177.57 2pyi h PHE 298 N 0.79 -1.06 -0.24 -3.82 3.57 -0.37 0.30 116.94 116.12 2pyi h PHE 298 Ca 0.10 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 2pyi h PHE 298 Cb 0.82 0.51 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 2pyi h PHE 298 CO 0.05 -0.42 0.14 0.28 -2.23 0.00 0.00 178.31 176.13 2pyi h VAL 299 N -0.33 1.09 0.04 1.41 2.07 -1.40 -2.57 116.25 116.56 2pyi h VAL 299 Ca 0.14 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 2pyi h VAL 299 Cb 0.57 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2pyi h VAL 299 CO -0.51 0.09 -0.02 0.58 0.02 0.00 0.00 177.57 177.74 2pyi h VAL 300 N 0.29 0.97 0.00 2.57 2.07 -0.99 -1.41 116.25 119.75 2pyi h VAL 300 Ca 0.08 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 2pyi h VAL 300 Cb 0.03 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2pyi h VAL 300 CO -0.02 0.01 -0.00 0.00 0.02 0.00 0.00 177.57 177.58 2pyi h ALA 301 N 0.90 -0.01 -0.38 1.67 0.00 -0.40 -1.32 119.26 119.72 2pyi h ALA 301 Ca -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2pyi h ALA 301 Cb 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2pyi h ALA 301 CO 0.01 -0.38 0.15 0.00 0.00 0.00 0.00 179.25 179.03 2pyi h ALA 302 N 0.74 0.50 -0.09 0.00 0.00 -1.50 -2.57 119.26 116.33 2pyi h ALA 302 Ca -0.00 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2pyi h ALA 302 Cb 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2pyi h ALA 302 CO 0.00 0.11 -0.05 1.15 0.00 0.00 0.00 179.25 180.46 2pyi h THR 303 N 0.48 0.84 -0.03 0.00 2.02 -1.23 -2.58 112.91 112.41 2pyi h THR 303 Ca 0.13 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.26 2pyi h THR 303 Cb 0.20 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2pyi h THR 303 CO -0.01 0.00 -0.22 -0.07 0.37 0.00 0.00 175.52 175.59 2pyi h LEU 304 N -0.05 0.04 -0.36 2.58 4.07 -1.17 -0.75 115.31 119.68 2pyi h LEU 304 Ca 0.05 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 2pyi h LEU 304 Cb 0.13 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 2pyi h LEU 304 CO -0.12 0.26 0.21 1.56 -1.08 0.00 0.00 178.44 179.28 2pyi h GLN 305 N 0.04 0.49 -0.44 1.13 4.20 -1.23 -0.74 115.11 118.56 2pyi h GLN 305 Ca 0.01 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.71 2pyi h GLN 305 Cb 0.42 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 2pyi h GLN 305 CO 0.03 0.37 0.19 -0.44 -0.67 0.00 0.00 178.83 178.32 2pyi h ASP 306 N 0.47 0.26 -0.11 1.46 5.19 -0.93 -0.87 116.42 121.88 2pyi h ASP 306 Ca 0.13 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 2pyi h ASP 306 Cb 0.01 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 2pyi h ASP 306 CO -0.02 0.19 0.07 0.40 -3.12 0.00 0.00 179.24 176.76 2pyi h ILE 307 N 0.39 1.03 -0.30 0.35 2.04 -0.95 -1.07 117.51 119.00 2pyi h ILE 307 Ca 0.20 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 2pyi h ILE 307 Cb 0.14 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2pyi h ILE 307 CO -0.16 0.03 0.15 0.40 0.00 0.00 0.00 178.15 178.57 2pyi h ILE 308 N 0.15 1.15 -0.10 -0.67 1.08 -1.01 -1.34 117.51 116.76 2pyi h ILE 308 Ca 0.04 -0.42 0.03 0.00 -0.39 0.00 0.00 64.86 64.12 2pyi h ILE 308 Cb -0.01 0.87 -0.04 0.00 -3.07 0.00 0.00 36.82 34.57 2pyi h ILE 308 CO -0.01 0.15 -0.11 -0.09 -0.69 0.00 0.00 178.15 177.40 2pyi h ARG 309 N 0.36 -0.14 -0.56 2.37 2.43 -1.00 -1.37 114.38 116.47 2pyi h ARG 309 Ca 0.10 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2pyi h ARG 309 Cb 0.11 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 2pyi h ARG 309 CO -0.01 -0.09 0.25 0.00 -1.51 0.00 0.00 179.97 178.60 2pyi h ARG 310 N -0.15 0.79 -0.57 0.20 3.08 -1.08 -1.47 114.38 115.19 2pyi h ARG 310 Ca 0.08 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2pyi h ARG 310 Cb 0.26 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 2pyi h ARG 310 CO -0.19 0.63 0.26 0.35 -1.07 0.00 0.00 179.97 179.95 2pyi h PHE 311 N 0.79 0.83 0.00 3.04 3.57 -0.80 -2.97 116.94 121.40 2pyi h PHE 311 Ca 0.19 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 2pyi h PHE 311 Cb 0.11 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 2pyi h PHE 311 CO 0.01 0.65 -0.43 0.87 -2.23 0.00 0.00 178.31 177.17 2pyi h LYS 312 N 0.77 0.00 -0.90 1.11 1.57 -0.77 -3.10 116.57 115.26 2pyi h LYS 312 Ca 0.19 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.73 2pyi h LYS 312 Cb 0.14 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.31 2pyi h LYS 312 CO -0.02 0.43 0.30 0.43 -0.57 0.00 0.00 179.45 180.02 2pyi n SER 313 N -3.62 3.82 -0.05 0.86 7.64 -0.60 -4.39 113.62 117.28 2pyi n SER 313 Ca -0.01 -2.97 -0.06 0.00 1.01 0.00 0.00 58.87 56.84 2pyi n SER 313 Cb 0.53 -0.70 -0.06 0.00 -1.01 0.00 0.00 64.21 62.96 2pyi n SER 313 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2pyi n SER 314 N -0.28 2.88 0.00 6.43 3.41 -1.17 -5.01 113.62 119.88 2pyi n SER 314 Ca 0.34 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 2pyi n SER 314 Cb 1.19 0.29 0.00 0.00 -0.26 0.00 0.00 64.21 65.43 2pyi n SER 314 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2pyi n LYS 315 N -2.58 0.00 0.00 4.33 4.81 -1.26 -5.01 118.16 118.45 2pyi n LYS 315 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 2pyi n LYS 315 Cb 0.77 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.82 2pyi n LYS 315 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2pyi n ASN 325 N -0.52 0.00 0.00 3.14 6.94 -1.26 -5.00 115.26 118.56 2pyi n ASN 325 Ca 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 54.58 54.65 2pyi n ASN 325 Cb 0.00 0.00 0.51 0.00 -2.36 0.00 0.00 39.78 37.93 2pyi n ASN 325 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 2pyi n PHE 326 N 0.00 0.00 0.07 -2.53 3.72 -1.26 -3.40 117.46 114.06 2pyi n PHE 326 Ca 0.00 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.43 2pyi n PHE 326 Cb 0.00 0.00 0.40 0.00 -0.94 0.00 0.00 39.48 38.94 2pyi n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2pyi h ASP 327 N 0.00 0.35 0.13 4.37 3.32 -2.03 -2.59 116.42 119.97 2pyi h ASP 327 Ca 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2pyi h ASP 327 Cb 0.00 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2pyi h ASP 327 CO 0.00 0.39 -0.07 0.00 -1.72 0.00 0.00 179.24 177.84 2pyi n ALA 328 N -2.49 2.73 0.02 3.45 0.00 -1.22 -4.39 120.51 118.61 2pyi n ALA 328 Ca 0.01 -0.35 -0.10 0.00 0.00 0.00 0.00 53.44 53.00 2pyi n ALA 328 Cb 0.19 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 2pyi n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2pyi h PHE 329 N 1.26 -0.52 0.00 0.00 3.04 -1.68 -1.21 116.94 117.83 2pyi h PHE 329 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2pyi h PHE 329 Cb 0.37 0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.13 2pyi h PHE 329 CO 0.00 -0.28 0.00 -1.35 -2.02 0.00 0.00 178.31 174.66 2pyi h PRO 330 N -0.27 0.00 0.00 6.41 0.11 -1.79 0.15 132.00 136.62 2pyi h PRO 330 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2pyi h PRO 330 Cb 0.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.51 2pyi h PRO 330 CO -0.25 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 177.10 2pyi h ASP 331 N 0.00 0.00 -0.00 -2.05 3.32 -1.51 -3.35 116.42 112.83 2pyi h ASP 331 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2pyi h ASP 331 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2pyi h ASP 331 CO 0.00 0.00 -0.06 0.29 -1.72 0.00 0.00 179.24 177.75 2pyi n LYS 332 N -2.97 5.50 -4.06 3.56 4.76 -0.48 -4.50 118.16 119.97 2pyi n LYS 332 Ca 0.04 -0.08 -0.19 0.00 -2.87 0.00 0.00 58.31 55.21 2pyi n LYS 332 Cb 0.48 -0.63 -0.16 0.00 -1.84 0.00 0.00 35.03 32.88 2pyi n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2pyi s VAL 333 N -0.99 0.38 -0.10 -0.18 1.01 0.42 -1.05 120.40 119.89 2pyi s VAL 333 Ca 0.01 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 61.99 2pyi s VAL 333 Cb 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.96 2pyi s VAL 333 CO 0.05 0.19 -0.23 0.00 0.00 0.00 0.00 175.10 175.11 2pyi s ALA 334 N 0.97 2.11 -0.28 5.51 0.00 -0.11 -4.50 121.76 125.45 2pyi s ALA 334 Ca -0.10 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 50.86 2pyi s ALA 334 Cb -0.14 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.18 2pyi s ALA 334 CO -0.01 0.24 0.04 0.42 0.00 0.00 0.00 175.76 176.45 2pyi s ILE 335 N 0.42 3.60 -0.27 0.00 1.01 0.03 -0.02 121.20 125.97 2pyi s ILE 335 Ca -0.17 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 59.54 2pyi s ILE 335 Cb -0.18 -2.86 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 2pyi s ILE 335 CO 0.07 0.10 0.18 -1.58 0.00 0.00 0.00 174.94 173.71 2pyi s GLN 336 N 1.44 3.98 -0.43 2.79 2.00 0.32 -1.22 119.66 128.52 2pyi s GLN 336 Ca 0.01 -0.31 -0.19 0.00 -2.00 0.00 0.00 55.36 52.87 2pyi s GLN 336 Cb -0.17 -3.61 0.02 0.00 0.80 0.00 0.00 33.01 30.05 2pyi s GLN 336 CO 0.00 -0.11 0.56 -0.51 -0.50 0.00 0.00 175.29 174.73 2pyi s LEU 337 N 1.54 4.65 -0.80 3.68 1.43 0.26 -1.44 118.68 127.99 2pyi s LEU 337 Ca 0.07 -0.48 -0.26 0.00 -1.03 0.00 0.00 54.13 52.44 2pyi s LEU 337 Cb -0.15 -2.59 0.03 0.00 0.03 0.00 0.00 46.19 43.51 2pyi s LEU 337 CO 0.09 -0.70 1.42 0.21 0.23 0.00 0.00 176.35 177.60 2pyi s ASN 338 N 1.92 6.10 0.55 2.29 2.47 -0.80 -1.52 114.94 125.95 2pyi s ASN 338 Ca 0.18 -0.63 0.00 0.00 0.42 0.00 0.00 52.86 52.84 2pyi s ASN 338 Cb -0.15 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 2pyi s ASN 338 CO 0.17 -1.86 0.00 -0.67 -3.72 0.00 0.00 177.10 171.02 2pyi n ASP 339 N 9.83 -3.80 -0.22 -4.21 2.03 -0.48 -4.09 116.55 115.61 2pyi n ASP 339 Ca 0.14 0.12 0.15 0.00 0.52 0.00 0.00 54.79 55.72 2pyi n ASP 339 Cb 0.50 -0.35 0.71 0.00 -0.72 0.00 0.00 41.12 41.26 2pyi n ASP 339 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2pyi n THR 340 N -1.43 0.00 -0.23 5.18 -2.24 -1.26 -4.32 114.28 109.98 2pyi n THR 340 Ca 0.00 -0.12 -0.01 0.00 -2.27 0.00 0.00 64.05 61.65 2pyi n THR 340 Cb 0.05 -0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.38 2pyi n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2pyi h HIS 341 N 1.09 0.64 -0.64 4.78 3.86 -1.96 0.04 115.15 122.96 2pyi h HIS 341 Ca 0.00 0.03 -0.22 0.00 -1.16 0.00 0.00 60.37 59.02 2pyi h HIS 341 Cb 0.28 -0.19 -0.13 0.00 1.06 0.00 0.00 27.41 28.43 2pyi h HIS 341 CO 0.00 0.29 0.27 -0.35 0.86 0.00 0.00 177.93 179.00 2pyi n PRO 342 N -4.82 3.07 0.29 2.45 -0.04 -1.26 -4.61 135.00 130.08 2pyi n PRO 342 Ca 0.09 -2.50 0.18 0.00 -0.04 0.00 0.00 63.50 61.23 2pyi n PRO 342 Cb 0.19 -2.04 0.98 0.00 -0.04 0.00 0.00 33.50 32.60 2pyi n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2pyi h SER 343 N 2.00 0.00 0.09 3.54 4.64 -1.23 -0.92 113.55 121.67 2pyi h SER 343 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2pyi h SER 343 Cb 2.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.22 2pyi h SER 343 CO 0.66 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.80 2pyi n LEU 344 N -3.49 0.21 0.05 5.97 4.77 -1.26 -1.78 117.00 121.48 2pyi n LEU 344 Ca -0.02 0.59 0.09 0.00 -0.03 0.00 0.00 56.01 56.64 2pyi n LEU 344 Cb 0.18 -0.61 0.54 0.00 -2.33 0.00 0.00 43.42 41.20 2pyi n LEU 344 CO 0.24 -0.62 1.15 0.00 -1.33 0.00 0.00 177.39 176.82 2pyi h ALA 345 N 2.06 1.96 0.66 -1.18 0.00 -1.52 0.03 119.26 121.28 2pyi h ALA 345 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2pyi h ALA 345 Cb 0.04 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.77 2pyi h ALA 345 CO 0.00 -0.02 -0.32 0.82 0.00 0.00 0.00 179.25 179.73 2pyi h ILE 346 N 0.30 0.00 0.00 0.00 2.04 -1.59 -0.31 117.51 117.95 2pyi h ILE 346 Ca 0.15 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 2pyi h ILE 346 Cb 0.24 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 2pyi h ILE 346 CO -0.03 0.00 -0.24 1.55 0.00 0.00 0.00 178.15 179.43 2pyi h PRO 347 N -1.12 0.00 -0.43 2.37 0.13 -1.74 -2.43 132.00 128.78 2pyi h PRO 347 Ca -0.09 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.99 2pyi h PRO 347 Cb 0.68 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 2pyi h PRO 347 CO 0.15 0.24 0.08 1.49 -0.23 0.00 0.00 178.00 179.73 2pyi h GLU 348 N 0.00 0.70 -0.33 0.86 4.57 -0.98 0.54 114.58 119.94 2pyi h GLU 348 Ca -0.00 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 57.99 2pyi h GLU 348 Cb 0.47 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 2pyi h GLU 348 CO 0.03 0.73 0.17 1.25 -1.18 0.00 0.00 179.01 180.00 2pyi h LEU 349 N 0.56 0.42 -0.66 1.64 5.85 -0.88 -0.43 115.31 121.81 2pyi h LEU 349 Ca 0.13 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.81 2pyi h LEU 349 Cb 0.36 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 2pyi h LEU 349 CO 0.01 0.41 0.35 0.24 -0.34 0.00 0.00 178.44 179.11 2pyi h MET 350 N 0.40 0.62 -0.15 1.25 2.86 -1.37 0.16 114.93 118.69 2pyi h MET 350 Ca 0.11 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2pyi h MET 350 Cb 0.10 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 2pyi h MET 350 CO -0.02 0.41 0.08 -0.09 1.06 0.00 0.00 176.91 178.36 2pyi h ARG 351 N 0.64 0.17 -0.09 1.72 2.43 -0.42 0.18 114.38 119.02 2pyi h ARG 351 Ca 0.31 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2pyi h ARG 351 Cb 0.24 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2pyi h ARG 351 CO -0.21 0.12 0.04 0.28 -1.51 0.00 0.00 179.97 178.69 2pyi h VAL 352 N 0.18 1.11 -0.57 0.20 2.07 -0.82 0.16 116.25 118.59 2pyi h VAL 352 Ca 0.06 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 2pyi h VAL 352 Cb -0.00 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2pyi h VAL 352 CO -0.03 0.10 0.05 -0.07 0.02 0.00 0.00 177.57 177.64 2pyi h LEU 353 N 0.02 0.93 0.00 2.57 3.38 -0.81 0.90 115.31 122.30 2pyi h LEU 353 Ca 0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 2pyi h LEU 353 Cb 0.12 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2pyi h LEU 353 CO -0.00 0.98 -0.14 0.58 0.09 0.00 0.00 178.44 179.94 2pyi h VAL 354 N 0.85 0.92 0.04 1.22 2.07 -0.64 0.94 116.25 121.65 2pyi h VAL 354 Ca 0.17 -1.73 -0.23 0.00 0.82 0.00 0.00 66.70 65.72 2pyi h VAL 354 Cb 0.47 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 2pyi h VAL 354 CO 0.02 0.31 -1.01 0.44 0.02 0.00 0.00 177.57 177.35 2pyi h ASP 355 N -1.00 0.40 0.00 0.57 3.45 -0.80 -2.94 116.42 116.10 2pyi h ASP 355 Ca -0.03 -0.36 -0.34 0.00 0.43 0.00 0.00 57.03 56.74 2pyi h ASP 355 Cb 0.62 -0.13 -0.06 0.00 -0.56 0.00 0.00 39.33 39.20 2pyi h ASP 355 CO -0.02 1.19 -2.20 0.18 -1.57 0.00 0.00 179.24 176.82 2pyi n LEU 356 N -3.65 2.40 -0.04 1.55 4.77 -0.69 -4.52 117.00 116.81 2pyi n LEU 356 Ca -0.06 0.05 0.13 0.00 -0.03 0.00 0.00 56.01 56.09 2pyi n LEU 356 Cb 0.88 -0.69 0.36 0.00 -2.33 0.00 0.00 43.42 41.64 2pyi n LEU 356 CO 0.51 0.69 0.60 -0.62 -1.33 0.00 0.00 177.39 177.24 2pyi n GLU 357 N -3.47 0.17 -2.80 3.23 -0.58 0.23 -4.96 120.64 112.44 2pyi n GLU 357 Ca -0.40 -0.08 -0.19 0.00 -0.42 0.00 0.00 57.16 56.07 2pyi n GLU 357 Cb 0.86 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 30.25 2pyi n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2pyi n ARG 358 N -1.35 -3.70 -2.75 3.49 5.12 -0.77 -4.94 116.66 111.75 2pyi n ARG 358 Ca 0.07 0.80 -0.32 0.00 -1.93 0.00 0.00 57.85 56.47 2pyi n ARG 358 Cb 0.33 -5.37 -0.06 0.00 -1.16 0.00 0.00 32.46 26.21 2pyi n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2pyi s LEU 359 N -5.65 3.86 0.61 0.55 1.43 0.25 -4.99 118.68 114.75 2pyi s LEU 359 Ca 0.21 1.55 -0.17 0.00 -1.03 0.00 0.00 54.13 54.69 2pyi s LEU 359 Cb -0.09 -4.42 -0.03 0.00 0.03 0.00 0.00 46.19 41.68 2pyi s LEU 359 CO 0.26 -0.40 1.15 1.51 0.23 0.00 0.00 176.35 179.10 2pyi s ASP 360 N -2.52 5.25 0.18 2.29 1.47 -1.26 -4.38 116.67 117.70 2pyi s ASP 360 Ca 0.59 2.19 -0.13 0.00 1.18 0.00 0.00 52.55 56.38 2pyi s ASP 360 Cb -0.10 -2.58 0.18 0.00 -0.34 0.00 0.00 42.92 40.09 2pyi s ASP 360 CO 0.20 -1.54 1.71 -0.25 0.68 0.00 0.00 175.17 175.97 2pyi h TRP 361 N 0.62 0.11 -0.44 2.11 2.91 -1.97 -2.04 115.95 117.25 2pyi h TRP 361 Ca -0.49 0.03 0.02 0.00 1.13 0.00 0.00 58.89 59.59 2pyi h TRP 361 Cb 1.27 0.03 -0.03 0.00 -0.51 0.00 0.00 29.16 29.91 2pyi h TRP 361 CO 0.51 -0.03 0.25 -0.44 -1.03 0.00 0.00 178.44 177.69 2pyi h ASP 362 N 0.20 0.39 -0.17 2.65 3.45 -1.99 -0.46 116.42 120.49 2pyi h ASP 362 Ca 0.24 0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.68 2pyi h ASP 362 Cb 0.34 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.03 2pyi h ASP 362 CO -0.34 0.28 -0.02 0.50 -1.57 0.00 0.00 179.24 178.08 2pyi h LYS 363 N 0.49 0.31 -0.91 3.56 1.63 -1.89 -1.69 116.57 118.08 2pyi h LYS 363 Ca 0.18 -0.11 0.11 0.00 -0.85 0.00 0.00 60.65 59.98 2pyi h LYS 363 Cb 0.04 -0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 31.57 2pyi h LYS 363 CO -0.10 0.56 0.54 0.00 -3.45 0.00 0.00 179.45 177.00 2pyi h ALA 364 N 0.74 1.35 -0.41 5.00 0.00 -1.16 -0.89 119.26 123.88 2pyi h ALA 364 Ca 0.04 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2pyi h ALA 364 Cb 0.44 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2pyi h ALA 364 CO 0.01 0.13 -0.22 2.35 0.00 0.00 0.00 179.25 181.53 2pyi h TRP 365 N 0.86 1.00 -0.42 0.00 2.91 -0.95 0.51 115.95 119.87 2pyi h TRP 365 Ca 0.45 -0.25 0.05 0.00 1.13 0.00 0.00 58.89 60.27 2pyi h TRP 365 Cb 0.46 -0.23 -0.05 0.00 -0.51 0.00 0.00 29.16 28.84 2pyi h TRP 365 CO -0.04 1.03 0.15 1.49 -1.03 0.00 0.00 178.44 180.05 2pyi h GLU 366 N 0.68 0.31 -0.12 2.65 4.81 -0.76 -1.54 114.58 120.61 2pyi h GLU 366 Ca 0.09 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2pyi h GLU 366 Cb 0.78 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 2pyi h GLU 366 CO 0.06 0.20 0.06 0.28 -0.73 0.00 0.00 179.01 178.89 2pyi h VAL 367 N 0.32 1.12 0.03 0.32 2.07 -1.00 -2.69 116.25 116.41 2pyi h VAL 367 Ca 0.19 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.39 2pyi h VAL 367 Cb 0.18 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2pyi h VAL 367 CO -0.19 0.10 -0.07 0.74 0.02 0.00 0.00 177.57 178.16 2pyi h THR 368 N 0.07 0.82 -0.58 2.57 2.02 -0.59 -0.91 112.91 116.31 2pyi h THR 368 Ca 0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 2pyi h THR 368 Cb 0.11 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 2pyi h THR 368 CO -0.01 0.00 0.33 0.58 0.37 0.00 0.00 175.52 176.79 2pyi h VAL 369 N -0.14 1.18 0.00 3.16 2.07 -1.33 -0.48 116.25 120.71 2pyi h VAL 369 Ca 0.02 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 2pyi h VAL 369 Cb 0.17 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2pyi h VAL 369 CO -0.06 0.19 -0.14 0.11 0.02 0.00 0.00 177.57 177.70 2pyi h LYS 370 N 0.78 0.00 0.23 1.57 1.57 -1.28 -1.17 116.57 118.27 2pyi h LYS 370 Ca 0.20 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.64 2pyi h LYS 370 Cb 0.02 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.36 2pyi h LYS 370 CO -0.04 0.14 -1.59 1.15 -0.57 0.00 0.00 179.45 178.55 2pyi h THR 371 N 0.00 1.15 -2.90 -0.16 2.02 -0.50 -3.47 112.91 109.05 2pyi h THR 371 Ca -0.00 -2.64 -0.63 0.00 0.77 0.00 0.00 66.41 63.92 2pyi h THR 371 Cb 0.49 2.94 -0.05 0.00 -1.74 0.00 0.00 68.15 69.79 2pyi h THR 371 CO 0.02 0.83 -0.36 0.00 0.37 0.00 0.00 175.52 176.38 2pyi s ALA 373 N -1.24 0.04 -0.08 0.00 0.00 -0.36 -1.46 121.76 118.66 2pyi s ALA 373 Ca 0.26 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.72 2pyi s ALA 373 Cb -0.14 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.15 2pyi s ALA 373 CO 0.14 -0.19 -0.16 -0.47 0.00 0.00 0.00 175.76 175.08 2pyi s TYR 374 N -1.60 1.87 -0.24 0.00 6.04 -0.12 -0.58 117.35 122.72 2pyi s TYR 374 Ca -0.14 -0.75 -0.07 0.00 0.04 0.00 0.00 57.07 56.15 2pyi s TYR 374 Cb -0.08 -1.32 -0.03 0.00 -1.04 0.00 0.00 41.96 39.49 2pyi s TYR 374 CO -0.01 -0.35 0.05 0.99 -1.54 0.00 0.00 175.55 174.69 2pyi s THR 375 N 0.62 4.22 -0.05 4.34 2.01 -0.57 -1.47 115.64 124.74 2pyi s THR 375 Ca -0.15 -0.21 -0.17 0.00 0.31 0.00 0.00 61.69 61.48 2pyi s THR 375 Cb -0.16 -2.96 -0.05 0.00 0.01 0.00 0.00 72.50 69.34 2pyi s THR 375 CO 0.04 0.36 0.45 0.21 -0.69 0.00 0.00 174.62 175.00 2pyi s ASN 376 N 1.45 6.76 -0.01 3.53 3.84 -0.33 -1.38 114.94 128.81 2pyi s ASN 376 Ca 0.05 0.91 0.01 0.00 0.21 0.00 0.00 52.86 54.05 2pyi s ASN 376 Cb -0.15 -2.27 0.02 0.00 -0.55 0.00 0.00 41.25 38.30 2pyi s ASN 376 CO 0.03 0.17 1.01 1.41 -2.79 0.00 0.00 177.10 176.93 2pyi n HIS 377 N 2.67 0.00 -3.59 0.43 8.25 -1.26 -4.11 115.22 117.62 2pyi n HIS 377 Ca -0.11 -0.54 -0.05 0.00 -0.26 0.00 0.00 57.72 56.77 2pyi n HIS 377 Cb 0.52 -0.06 -0.02 0.00 1.12 0.00 0.00 29.99 31.55 2pyi n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2pyi s THR 378 N -1.14 0.00 -0.44 1.59 -1.32 -1.26 -4.68 115.64 108.40 2pyi s THR 378 Ca 0.02 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.64 2pyi s THR 378 Cb 0.02 -1.00 -0.17 0.00 -1.51 0.00 0.00 72.50 69.84 2pyi s THR 378 CO 0.00 0.00 0.48 1.33 -2.21 0.00 0.00 174.62 174.23 2pyi n VAL 379 N -0.01 0.00 -1.83 5.08 0.24 -1.26 -4.97 118.33 115.58 2pyi n VAL 379 Ca -0.01 -0.23 -0.42 0.00 -2.04 0.00 0.00 64.34 61.64 2pyi n VAL 379 Cb 0.59 0.75 -0.03 0.00 -1.47 0.00 0.00 33.84 33.68 2pyi n VAL 379 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2pyi s LEU 380 N -3.03 4.33 0.46 1.34 1.43 -1.26 -4.87 118.68 117.08 2pyi s LEU 380 Ca 0.02 2.42 0.15 0.00 -1.03 0.00 0.00 54.13 55.69 2pyi s LEU 380 Cb 0.10 -3.53 1.07 0.00 0.03 0.00 0.00 46.19 43.85 2pyi s LEU 380 CO 0.55 -1.04 2.03 1.55 0.23 0.00 0.00 176.35 179.67 2pyi h PRO 381 N 10.29 0.00 0.00 1.29 0.13 -1.99 -2.02 132.00 139.70 2pyi h PRO 381 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2pyi h PRO 381 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2pyi h PRO 381 CO 0.95 0.14 0.00 -0.85 -0.23 0.00 0.00 178.00 178.01 2pyi n GLU 382 N -4.35 0.03 0.10 0.86 0.00 -1.26 -2.20 120.64 113.82 2pyi n GLU 382 Ca -0.03 0.19 0.12 0.00 0.00 0.00 0.00 57.16 57.44 2pyi n GLU 382 Cb 0.21 -1.50 0.10 0.00 0.00 0.00 0.00 31.44 30.26 2pyi n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2pyi h ALA 383 N 2.63 0.62 -2.77 -1.84 0.00 -1.74 0.43 119.26 116.58 2pyi h ALA 383 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 2pyi h ALA 383 Cb 0.28 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.12 2pyi h ALA 383 CO 0.00 0.00 0.66 -0.51 0.00 0.00 0.00 179.25 179.40 2pyi s LEU 384 N -5.03 4.42 -0.30 0.00 1.43 -0.94 -4.68 118.68 113.59 2pyi s LEU 384 Ca 0.03 2.56 -0.25 0.00 -1.03 0.00 0.00 54.13 55.44 2pyi s LEU 384 Cb 0.10 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.70 2pyi s LEU 384 CO 0.74 -0.55 0.85 -1.61 0.23 0.00 0.00 176.35 176.02 2pyi s GLU 385 N -0.85 4.02 -0.33 1.70 2.02 -1.26 -4.73 118.70 119.27 2pyi s GLU 385 Ca 0.54 0.74 0.00 0.00 0.02 0.00 0.00 54.97 56.27 2pyi s GLU 385 Cb -0.39 -3.72 0.11 0.00 0.10 0.00 0.00 34.13 30.23 2pyi s GLU 385 CO 0.45 -0.70 0.12 1.03 0.02 0.00 0.00 175.26 176.18 2pyi s ARG 386 N 3.07 0.86 -0.05 1.61 0.52 -1.26 -1.95 118.95 121.75 2pyi s ARG 386 Ca 0.35 -1.29 -0.25 0.00 -0.52 0.00 0.00 55.73 54.02 2pyi s ARG 386 Cb -0.14 -2.12 -0.04 0.00 0.52 0.00 0.00 34.95 33.17 2pyi s ARG 386 CO 0.12 -1.02 0.76 -1.58 0.02 0.00 0.00 175.30 173.60 2pyi s TRP 387 N 1.35 3.60 0.26 -0.53 0.52 -0.87 -4.76 118.94 118.52 2pyi s TRP 387 Ca 0.11 1.35 -0.31 0.00 0.02 0.00 0.00 56.10 57.28 2pyi s TRP 387 Cb -0.19 -2.87 -0.13 0.00 -1.15 0.00 0.00 33.47 29.14 2pyi s TRP 387 CO -0.19 0.08 1.49 -2.30 0.02 0.00 0.00 176.95 176.05 2pyi n PRO 388 N 3.75 2.33 0.16 4.98 -0.02 -1.26 -0.47 135.00 144.47 2pyi n PRO 388 Ca 0.00 0.83 0.05 0.00 -2.02 0.00 0.00 63.50 62.36 2pyi n PRO 388 Cb 0.51 -2.54 0.50 0.00 -0.02 0.00 0.00 33.50 31.95 2pyi n PRO 388 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2pyi h VAL 389 N 3.18 1.09 -0.69 -1.45 -1.51 -1.25 -2.16 116.25 113.46 2pyi h VAL 389 Ca -0.46 -0.36 -0.04 0.00 -1.23 0.00 0.00 66.70 64.61 2pyi h VAL 389 Cb 1.25 1.02 -0.03 0.00 -2.13 0.00 0.00 31.29 31.40 2pyi h VAL 389 CO 0.77 0.12 0.28 1.12 -1.23 0.00 0.00 177.57 178.63 2pyi h HIS 390 N 0.17 1.01 -0.22 5.19 2.07 -1.90 0.12 115.15 121.60 2pyi h HIS 390 Ca 0.04 -0.06 -0.08 0.00 -2.85 0.00 0.00 60.37 57.42 2pyi h HIS 390 Cb 0.15 -0.31 -0.00 0.00 2.57 0.00 0.00 27.41 29.81 2pyi h HIS 390 CO 0.00 0.77 -0.18 1.25 -3.07 0.00 0.00 177.93 176.70 2pyi h LEU 391 N 0.99 0.54 -0.75 6.12 5.85 -1.77 -2.02 115.31 124.26 2pyi h LEU 391 Ca 0.23 -0.46 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 2pyi h LEU 391 Cb 0.17 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2pyi h LEU 391 CO -0.02 0.88 0.30 -0.07 -0.34 0.00 0.00 178.44 179.18 2pyi h LEU 392 N 0.20 1.03 -0.65 2.25 3.38 -1.29 -0.53 115.31 119.70 2pyi h LEU 392 Ca 0.04 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2pyi h LEU 392 Cb 0.71 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2pyi h LEU 392 CO 0.05 0.92 0.42 -0.08 0.09 0.00 0.00 178.44 179.84 2pyi h GLU 393 N 1.08 0.87 0.11 1.13 4.81 -0.66 0.35 114.58 122.26 2pyi h GLU 393 Ca 0.25 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2pyi h GLU 393 Cb 0.22 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2pyi h GLU 393 CO -0.02 0.59 -0.05 1.15 -0.73 0.00 0.00 179.01 179.95 2pyi h THR 394 N 0.88 1.10 0.06 0.32 2.02 -1.21 -3.08 112.91 113.00 2pyi h THR 394 Ca 0.24 -1.15 -0.25 0.00 0.77 0.00 0.00 66.41 66.03 2pyi h THR 394 Cb -0.07 1.79 0.02 0.00 -1.74 0.00 0.00 68.15 68.15 2pyi h THR 394 CO -0.05 0.26 -0.99 0.25 0.37 0.00 0.00 175.52 175.36 2pyi h LEU 395 N -0.71 0.78 -5.97 2.58 5.85 -1.08 -3.38 115.31 113.37 2pyi h LEU 395 Ca -0.01 -0.79 -0.54 0.00 0.84 0.00 0.00 57.88 57.37 2pyi h LEU 395 Cb 0.54 -0.24 -0.40 0.00 0.37 0.00 0.00 40.66 40.93 2pyi h LEU 395 CO 0.02 1.48 -1.05 0.18 -0.34 0.00 0.00 178.44 178.73 2pyi n LEU 396 N -3.94 1.05 -0.29 2.25 4.77 0.12 -0.16 117.00 120.79 2pyi n LEU 396 Ca -0.12 -4.94 0.01 0.00 -0.03 0.00 0.00 56.01 50.93 2pyi n LEU 396 Cb 0.87 0.45 0.20 0.00 -2.33 0.00 0.00 43.42 42.61 2pyi n LEU 396 CO 0.54 2.16 1.26 1.55 -1.33 0.00 0.00 177.39 181.57 2pyi h PRO 397 N 3.63 1.10 -0.32 3.23 0.13 -1.44 -1.64 132.00 136.70 2pyi h PRO 397 Ca 0.10 -0.07 -0.11 0.00 -0.87 0.00 0.00 66.00 65.05 2pyi h PRO 397 Cb 0.86 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 2pyi h PRO 397 CO 0.54 0.73 -0.26 -0.09 -0.23 0.00 0.00 178.00 178.68 2pyi h ARG 398 N 1.13 0.63 -0.50 0.86 9.65 -1.88 -2.40 114.38 121.87 2pyi h ARG 398 Ca 0.34 -0.26 -0.10 0.00 -1.10 0.00 0.00 59.98 58.86 2pyi h ARG 398 Cb -0.05 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 2pyi h ARG 398 CO -0.09 0.83 -0.08 0.45 2.80 0.00 0.00 179.97 183.88 2pyi h HIS 399 N 0.55 1.04 -0.65 2.20 3.86 -1.70 -1.74 115.15 118.72 2pyi h HIS 399 Ca 0.07 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 2pyi h HIS 399 Cb 0.74 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.91 2pyi h HIS 399 CO 0.03 0.99 0.42 1.25 0.86 0.00 0.00 177.93 181.48 2pyi h LEU 400 N 0.79 0.76 -0.60 2.43 5.85 -1.22 0.81 115.31 124.14 2pyi h LEU 400 Ca 0.13 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.86 2pyi h LEU 400 Cb 0.63 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 2pyi h LEU 400 CO 0.04 0.56 0.34 1.56 -0.34 0.00 0.00 178.44 180.60 2pyi h GLN 401 N 0.88 0.62 -0.48 1.25 4.20 -1.23 -1.11 115.11 119.24 2pyi h GLN 401 Ca 0.24 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.80 2pyi h GLN 401 Cb -0.08 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.54 2pyi h GLN 401 CO -0.05 0.41 -0.14 0.82 -0.67 0.00 0.00 178.83 179.20 2pyi h ILE 402 N 0.64 1.27 -0.54 2.54 2.04 -0.89 -2.28 117.51 120.29 2pyi h ILE 402 Ca 0.26 -1.29 0.01 0.00 1.00 0.00 0.00 64.86 64.84 2pyi h ILE 402 Cb 0.12 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 2pyi h ILE 402 CO -0.15 0.45 0.35 0.40 0.00 0.00 0.00 178.15 179.20 2pyi h ILE 403 N 0.80 1.13 -0.91 -0.67 2.04 -0.52 0.78 117.51 120.15 2pyi h ILE 403 Ca 0.12 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.74 2pyi h ILE 403 Cb 0.71 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 2pyi h ILE 403 CO 0.05 0.13 0.59 1.88 0.00 0.00 0.00 178.15 180.81 2pyi h TYR 404 N 0.72 1.15 -0.36 1.37 0.05 -1.05 0.30 116.97 119.15 2pyi h TYR 404 Ca 0.20 0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.86 2pyi h TYR 404 Cb -0.07 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 37.28 2pyi h TYR 404 CO -0.04 0.74 -0.32 1.49 -1.05 0.00 0.00 178.16 178.97 2pyi h GLU 405 N 1.24 0.85 -0.38 4.88 4.57 -1.00 -1.24 114.58 123.50 2pyi h GLU 405 Ca 0.33 -0.44 0.05 0.00 -1.18 0.00 0.00 59.36 58.13 2pyi h GLU 405 Cb -0.12 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.43 2pyi h GLU 405 CO -0.07 1.08 0.09 0.82 -1.18 0.00 0.00 179.01 179.75 2pyi h ILE 406 N 0.65 0.83 -0.33 2.32 2.04 -0.57 -2.23 117.51 120.22 2pyi h ILE 406 Ca 0.06 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2pyi h ILE 406 Cb 0.90 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 2pyi h ILE 406 CO 0.08 0.04 0.21 -1.13 0.00 0.00 0.00 178.15 177.35 2pyi h ASN 407 N 0.22 0.39 -0.24 1.72 -1.24 -0.74 -0.08 115.58 115.61 2pyi h ASN 407 Ca 0.18 -0.03 0.02 0.00 0.71 0.00 0.00 56.30 57.18 2pyi h ASN 407 Cb 0.20 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 2pyi h ASN 407 CO -0.22 0.30 0.09 -0.61 -1.29 0.00 0.00 177.43 175.70 2pyi h GLN 408 N 0.44 0.20 -0.49 6.67 5.75 -1.06 0.20 115.11 126.83 2pyi h GLN 408 Ca 0.12 -0.01 -0.13 0.00 -0.15 0.00 0.00 58.65 58.48 2pyi h GLN 408 Cb -0.02 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 2pyi h GLN 408 CO -0.02 0.13 -0.20 0.00 -2.65 0.00 0.00 178.83 176.09 2pyi h ARG 409 N 0.21 0.98 -0.39 1.69 3.08 -1.27 -1.61 114.38 117.07 2pyi h ARG 409 Ca 0.10 -0.41 -0.05 0.00 0.07 0.00 0.00 59.98 59.69 2pyi h ARG 409 Cb 0.06 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2pyi h ARG 409 CO -0.09 1.08 0.04 0.35 -1.07 0.00 0.00 179.97 180.28 2pyi h PHE 410 N 0.85 0.72 0.00 3.04 3.57 -0.77 -2.41 116.94 121.94 2pyi h PHE 410 Ca 0.11 -0.11 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 2pyi h PHE 410 Cb 0.77 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 2pyi h PHE 410 CO 0.05 0.73 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.37 2pyi h LEU 411 N 0.51 0.00 -0.79 0.59 3.38 -0.94 -1.60 115.31 116.46 2pyi h LEU 411 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2pyi h LEU 411 Cb 0.41 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 2pyi h LEU 411 CO 0.01 0.42 0.51 0.78 0.09 0.00 0.00 178.44 180.25 2pyi h ASN 412 N 0.00 0.91 -0.51 -0.43 2.35 -1.09 0.13 115.58 116.94 2pyi h ASN 412 Ca -0.00 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 2pyi h ASN 412 Cb 0.79 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 2pyi h ASN 412 CO 0.05 0.67 0.23 0.03 -1.65 0.00 0.00 177.43 176.77 2pyi h ARG 413 N 1.07 0.74 -0.23 0.81 3.08 -0.88 -0.72 114.38 118.24 2pyi h ARG 413 Ca 0.29 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 60.23 2pyi h ARG 413 Cb -0.10 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 2pyi h ARG 413 CO -0.06 0.62 0.13 0.28 -1.07 0.00 0.00 179.97 179.88 2pyi h VAL 414 N 0.67 1.02 -0.62 2.04 2.07 -1.03 -1.18 116.25 119.22 2pyi h VAL 414 Ca 0.17 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 2pyi h VAL 414 Cb 0.14 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2pyi h VAL 414 CO -0.02 0.05 0.30 0.00 0.02 0.00 0.00 177.57 177.92 2pyi h ALA 415 N 1.10 1.36 -0.27 1.67 0.00 -0.57 0.16 119.26 122.71 2pyi h ALA 415 Ca 0.09 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 2pyi h ALA 415 Cb -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2pyi h ALA 415 CO -0.05 0.50 -0.45 0.00 0.00 0.00 0.00 179.25 179.25 2pyi h ALA 416 N 1.45 0.69 0.02 0.00 0.00 -0.94 -2.75 119.26 117.73 2pyi h ALA 416 Ca 0.22 -0.47 -0.22 0.00 0.00 0.00 0.00 54.91 54.43 2pyi h ALA 416 Cb 0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2pyi h ALA 416 CO -0.03 0.67 -0.96 0.00 0.00 0.00 0.00 179.25 178.93 2pyi h ALA 417 N 0.93 0.38 -2.09 0.00 0.00 -0.67 -3.38 119.26 114.43 2pyi h ALA 417 Ca 0.03 -0.74 -0.57 0.00 0.00 0.00 0.00 54.91 53.63 2pyi h ALA 417 Cb 1.01 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 18.36 2pyi h ALA 417 CO 0.10 0.88 -0.88 1.19 0.00 0.00 0.00 179.25 180.53 2pyi n PHE 418 N -3.68 1.45 -1.70 0.00 3.72 0.52 -5.09 117.46 112.67 2pyi n PHE 418 Ca -0.06 -3.83 -0.44 0.00 -0.05 0.00 0.00 57.45 53.08 2pyi n PHE 418 Cb 0.85 -0.44 -0.03 0.00 -0.94 0.00 0.00 39.48 38.91 2pyi n PHE 418 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2pyi n PRO 419 N 1.09 2.58 -0.11 -1.08 -0.02 -1.04 -1.91 135.00 134.51 2pyi n PRO 419 Ca 0.25 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.66 2pyi n PRO 419 Cb 0.48 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 2pyi n PRO 419 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pyi n GLY 420 N 3.88 1.93 3.58 -1.23 0.00 -1.26 -4.97 105.19 107.11 2pyi n GLY 420 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2pyi n GLY 420 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pyi s ASP 421 N -3.35 6.80 0.14 1.61 3.68 -0.80 -4.80 116.67 119.95 2pyi s ASP 421 Ca 0.00 -2.32 -0.11 0.00 2.13 0.00 0.00 52.55 52.25 2pyi s ASP 421 Cb 0.00 -2.58 -0.04 0.00 -1.45 0.00 0.00 42.92 38.86 2pyi s ASP 421 CO 0.00 -1.21 1.48 0.58 0.13 0.00 0.00 175.17 176.15 2pyi h VAL 422 N 5.73 1.27 -0.39 1.11 2.07 -1.93 -2.91 116.25 121.20 2pyi h VAL 422 Ca 0.41 -1.55 -0.07 0.00 0.82 0.00 0.00 66.70 66.31 2pyi h VAL 422 Cb 0.89 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2pyi h VAL 422 CO 1.45 0.52 -0.05 -0.78 0.02 0.00 0.00 177.57 178.74 2pyi h ASP 423 N 0.77 0.62 -0.76 0.57 -0.00 -1.99 -1.94 116.42 113.69 2pyi h ASP 423 Ca 0.06 -0.15 0.02 0.00 -0.00 0.00 0.00 57.03 56.97 2pyi h ASP 423 Cb 0.97 -0.16 -0.04 0.00 -0.00 0.00 0.00 39.33 40.10 2pyi h ASP 423 CO 0.09 0.72 0.49 -0.09 -0.00 0.00 0.00 179.24 180.45 2pyi h ARG 424 N 0.60 0.94 -0.55 0.28 2.43 -1.94 0.24 114.38 116.38 2pyi h ARG 424 Ca 0.12 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 2pyi h ARG 424 Cb 0.45 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 2pyi h ARG 424 CO 0.02 0.62 0.34 -0.07 -1.51 0.00 0.00 179.97 179.37 2pyi h LEU 425 N 0.97 0.55 -0.39 3.80 3.38 -1.23 1.00 115.31 123.38 2pyi h LEU 425 Ca 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 2pyi h LEU 425 Cb -0.03 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2pyi h LEU 425 CO -0.09 0.39 0.17 -0.09 0.09 0.00 0.00 178.44 178.90 2pyi h ARG 426 N 0.67 0.58 -0.42 1.13 2.43 -0.67 -1.61 114.38 116.49 2pyi h ARG 426 Ca 0.22 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 2pyi h ARG 426 Cb 0.01 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 2pyi h ARG 426 CO -0.09 0.54 -0.15 0.00 -1.51 0.00 0.00 179.97 178.76 2pyi h ARG 427 N 0.49 0.78 0.00 0.20 3.08 -0.26 -3.23 114.38 115.45 2pyi h ARG 427 Ca 0.13 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2pyi h ARG 427 Cb 0.17 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2pyi h ARG 427 CO -0.01 0.88 -0.50 0.52 -1.07 0.00 0.00 179.97 179.79 2pyi h MET 428 N 0.70 0.00 -6.68 0.04 2.86 -0.70 -3.48 114.93 107.67 2pyi h MET 428 Ca 0.11 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.17 2pyi h MET 428 Cb 0.64 0.00 0.13 0.00 0.06 0.00 0.00 31.60 32.42 2pyi h MET 428 CO 0.04 0.00 0.26 0.45 1.06 0.00 0.00 176.91 178.73 2pyi n SER 429 N -2.72 1.68 0.27 1.22 2.88 -0.61 -4.87 113.62 111.47 2pyi n SER 429 Ca 0.02 1.08 0.17 0.00 -1.33 0.00 0.00 58.87 58.81 2pyi n SER 429 Cb 0.52 -1.39 0.67 0.00 -0.75 0.00 0.00 64.21 63.26 2pyi n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2pyi h LEU 430 N 1.79 0.00 -9.03 2.46 4.07 -1.91 -3.43 115.31 109.28 2pyi h LEU 430 Ca -0.45 0.00 -0.62 0.00 0.08 0.00 0.00 57.88 56.89 2pyi h LEU 430 Cb 1.32 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 42.92 2pyi h LEU 430 CO 0.58 0.02 -0.41 -0.69 -1.08 0.00 0.00 178.44 176.86 2pyi s VAL 431 N -3.67 5.29 -0.18 1.22 1.01 -1.26 -0.01 120.40 122.79 2pyi s VAL 431 Ca 0.01 0.34 -0.09 0.00 0.00 0.00 0.00 61.98 62.24 2pyi s VAL 431 Cb 0.09 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 2pyi s VAL 431 CO 0.55 0.27 0.12 -1.61 0.00 0.00 0.00 175.10 174.43 2pyi s GLU 432 N 1.45 4.01 0.00 2.72 2.02 0.11 -4.96 118.70 124.05 2pyi s GLU 432 Ca 0.11 -0.23 0.24 0.00 0.02 0.00 0.00 54.97 55.11 2pyi s GLU 432 Cb -0.15 -3.34 0.55 0.00 0.10 0.00 0.00 34.13 31.30 2pyi s GLU 432 CO 0.08 0.38 1.46 0.39 0.02 0.00 0.00 175.26 177.58 2pyi n GLU 433 N 3.25 2.12 0.00 1.61 -0.58 -1.26 -1.48 120.64 124.30 2pyi n GLU 433 Ca -0.17 -1.66 0.00 0.00 -0.42 0.00 0.00 57.16 54.92 2pyi n GLU 433 Cb 0.53 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 2pyi n GLU 433 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pyi n GLY 434 N 1.31 -2.74 0.23 0.62 0.00 -1.26 -4.76 105.19 98.60 2pyi n GLY 434 Ca 0.17 -0.93 -0.05 0.00 0.00 0.00 0.00 46.02 45.21 2pyi n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pyi h ALA 435 N -2.19 0.74 -2.95 4.61 0.00 -2.06 -3.34 119.26 114.07 2pyi h ALA 435 Ca 0.00 -0.02 -0.65 0.00 0.00 0.00 0.00 54.91 54.25 2pyi h ALA 435 Cb 0.00 -0.18 -0.21 0.00 0.00 0.00 0.00 17.79 17.40 2pyi h ALA 435 CO 0.00 0.08 -0.60 0.08 0.00 0.00 0.00 179.25 178.81 2pyi s VAL 436 N -6.13 4.50 0.12 0.00 1.01 -1.26 -5.09 120.40 113.55 2pyi s VAL 436 Ca -0.13 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 2pyi s VAL 436 Cb 0.14 -3.11 -0.06 0.00 0.00 0.00 0.00 36.38 33.34 2pyi s VAL 436 CO 0.75 0.33 1.13 -0.75 0.00 0.00 0.00 175.10 176.56 2pyi s LYS 437 N 1.61 4.52 0.06 2.72 2.20 -1.26 -4.80 119.74 124.81 2pyi s LYS 437 Ca 0.06 1.72 0.02 0.00 -0.36 0.00 0.00 55.97 57.41 2pyi s LYS 437 Cb -0.15 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.82 2pyi s LYS 437 CO 0.05 -0.07 -0.07 1.03 -0.36 0.00 0.00 175.35 175.93 2pyi s ARG 438 N 0.29 0.65 -0.25 4.03 0.52 -0.55 -0.71 118.95 122.94 2pyi s ARG 438 Ca 0.53 -1.02 -0.14 0.00 -0.52 0.00 0.00 55.73 54.59 2pyi s ARG 438 Cb -0.29 -0.21 -0.04 0.00 0.52 0.00 0.00 34.95 34.93 2pyi s ARG 438 CO 0.32 0.01 0.30 0.42 0.02 0.00 0.00 175.30 176.37 2pyi s ILE 439 N -2.46 5.24 -0.55 1.52 -1.09 0.38 0.07 121.20 124.31 2pyi s ILE 439 Ca -0.00 0.45 -0.28 0.00 -2.23 0.00 0.00 60.65 58.59 2pyi s ILE 439 Cb -0.03 -3.63 0.03 0.00 -1.58 0.00 0.00 42.46 37.25 2pyi s ILE 439 CO -0.02 0.24 1.18 0.21 -1.23 0.00 0.00 174.94 175.31 2pyi s ASN 440 N 1.37 6.50 0.37 3.58 3.84 0.98 -2.05 114.94 129.53 2pyi s ASN 440 Ca 0.13 0.20 0.13 0.00 0.21 0.00 0.00 52.86 53.54 2pyi s ASN 440 Cb -0.15 -2.55 0.73 0.00 -0.55 0.00 0.00 41.25 38.72 2pyi s ASN 440 CO 0.08 -1.42 1.82 0.24 -2.79 0.00 0.00 177.10 175.03 2pyi h MET 441 N 9.46 0.00 -0.56 0.43 2.86 -1.70 -2.20 114.93 123.22 2pyi h MET 441 Ca -0.24 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.36 2pyi h MET 441 Cb 1.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 2pyi h MET 441 CO 1.17 0.38 0.20 0.00 1.06 0.00 0.00 176.91 179.72 2pyi h ALA 442 N 1.62 0.73 -0.68 6.32 0.00 -1.91 -0.39 119.26 124.95 2pyi h ALA 442 Ca -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2pyi h ALA 442 Cb 0.68 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2pyi h ALA 442 CO 0.05 0.36 0.30 0.45 0.00 0.00 0.00 179.25 180.41 2pyi h HIS 443 N 0.77 1.01 -0.39 0.00 3.86 -1.84 -1.54 115.15 117.03 2pyi h HIS 443 Ca 0.18 -0.06 0.02 0.00 -1.16 0.00 0.00 60.37 59.36 2pyi h HIS 443 Cb 0.23 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.37 2pyi h HIS 443 CO 0.01 0.77 0.21 1.25 0.86 0.00 0.00 177.93 181.03 2pyi h LEU 444 N 0.95 0.32 -0.43 2.43 5.85 -1.18 -2.01 115.31 121.24 2pyi h LEU 444 Ca 0.23 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.99 2pyi h LEU 444 Cb 0.16 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2pyi h LEU 444 CO -0.02 0.23 0.24 0.00 -0.34 0.00 0.00 178.44 178.55 2pyi h ILE 446 N 0.49 1.18 -0.89 0.00 2.04 -1.15 -1.87 117.51 117.31 2pyi h ILE 446 Ca 0.18 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.51 2pyi h ILE 446 Cb 0.04 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 2pyi h ILE 446 CO -0.10 0.18 0.58 0.00 0.00 0.00 0.00 178.15 178.82 2pyi h ALA 447 N 0.88 1.44 -0.64 1.87 0.00 -1.23 -3.00 119.26 118.58 2pyi h ALA 447 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2pyi h ALA 447 Cb 0.22 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2pyi h ALA 447 CO -0.00 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.12 2pyi n GLY 448 N -1.40 2.18 3.24 0.00 0.00 -0.33 -4.93 105.19 103.94 2pyi n GLY 448 Ca 0.12 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 2pyi n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pyi s SER 449 N -0.96 2.46 0.22 1.61 0.01 -0.72 -3.92 113.70 112.40 2pyi s SER 449 Ca 0.45 -0.48 0.25 0.00 1.31 0.00 0.00 55.95 57.48 2pyi s SER 449 Cb 0.25 -0.22 0.64 0.00 0.21 0.00 0.00 66.02 66.89 2pyi s SER 449 CO 0.28 0.19 1.65 1.12 0.41 0.00 0.00 173.24 176.88 2pyi h HIS 450 N 5.07 0.00 -3.73 2.43 2.07 -0.05 -3.46 115.15 117.47 2pyi h HIS 450 Ca -0.42 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 56.87 2pyi h HIS 450 Cb 1.15 0.00 -0.28 0.00 2.57 0.00 0.00 27.41 30.85 2pyi h HIS 450 CO 0.47 0.00 -0.72 0.00 -3.07 0.00 0.00 177.93 174.61 2pyi s ALA 451 N -3.13 0.01 -0.07 6.11 0.00 -1.26 -4.51 121.76 118.91 2pyi s ALA 451 Ca 0.09 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.05 2pyi s ALA 451 Cb 0.12 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.25 2pyi s ALA 451 CO 0.64 0.00 -0.08 0.08 0.00 0.00 0.00 175.76 176.40 2pyi s VAL 452 N -0.00 0.87 0.04 0.00 1.01 -0.03 -0.94 120.40 121.35 2pyi s VAL 452 Ca 0.00 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.75 2pyi s VAL 452 Cb -0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 2pyi s VAL 452 CO -0.00 0.31 -0.15 0.54 0.00 0.00 0.00 175.10 175.80 2pyi s ASN 453 N 1.07 1.78 0.74 3.32 4.22 -0.54 0.11 114.94 125.65 2pyi s ASN 453 Ca -0.08 -0.45 -0.02 0.00 -2.14 0.00 0.00 52.86 50.17 2pyi s ASN 453 Cb -0.14 -0.13 0.13 0.00 1.28 0.00 0.00 41.25 42.39 2pyi s ASN 453 CO -0.01 0.06 1.03 -0.83 -2.04 0.00 0.00 177.10 175.31 2pyi s GLY 454 N -1.09 1.76 0.00 0.45 0.00 -1.03 -1.18 107.32 106.23 2pyi s GLY 454 Ca 0.03 -1.65 0.06 0.00 0.00 0.00 0.00 44.72 43.15 2pyi s GLY 454 CO 0.01 -1.07 0.96 3.33 0.00 0.00 0.00 173.10 176.33 2pyi n VAL 455 N -2.93 0.60 -3.44 1.40 0.24 -1.26 -1.91 118.33 111.03 2pyi n VAL 455 Ca 0.15 -0.80 -0.13 0.00 -2.04 0.00 0.00 64.34 61.52 2pyi n VAL 455 Cb 0.60 0.75 -0.03 0.00 -1.47 0.00 0.00 33.84 33.70 2pyi n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pyi s ALA 456 N -0.81 -1.65 0.14 2.33 0.00 -1.26 -0.60 121.76 119.93 2pyi s ALA 456 Ca 0.11 0.68 -0.19 0.00 0.00 0.00 0.00 51.96 52.56 2pyi s ALA 456 Cb 0.06 0.69 0.02 0.00 0.00 0.00 0.00 23.12 23.89 2pyi s ALA 456 CO 0.08 -0.69 1.69 -0.09 0.00 0.00 0.00 175.76 176.76 2pyi h ARG 457 N 2.19 0.02 -0.98 0.00 2.43 -1.89 0.56 114.38 116.71 2pyi h ARG 457 Ca -0.32 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.86 2pyi h ARG 457 Cb 1.27 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.77 2pyi h ARG 457 CO 0.38 0.01 0.64 0.97 -1.51 0.00 0.00 179.97 180.46 2pyi h ILE 458 N 0.02 1.25 -0.05 1.20 2.10 -1.90 -1.46 117.51 118.67 2pyi h ILE 458 Ca 0.13 -0.48 -0.02 0.00 1.08 0.00 0.00 64.86 65.58 2pyi h ILE 458 Cb 0.20 -0.17 -0.00 0.00 -1.09 0.00 0.00 36.82 35.75 2pyi h ILE 458 CO -0.27 0.25 -0.03 -0.74 -1.08 0.00 0.00 178.15 176.27 2pyi h HIS 459 N 1.33 0.13 -0.36 2.19 2.76 -1.55 -2.03 115.15 117.62 2pyi h HIS 459 Ca 0.36 -0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.47 2pyi h HIS 459 Cb -0.14 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 2pyi h HIS 459 CO 0.00 0.53 0.13 0.77 -1.30 0.00 0.00 177.93 178.05 2pyi h SER 460 N -0.30 0.46 -0.35 3.26 0.02 -0.78 -1.59 113.55 114.27 2pyi h SER 460 Ca 0.01 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.82 2pyi h SER 460 Cb 0.50 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2pyi h SER 460 CO 0.01 0.43 -0.14 -0.33 -1.14 0.00 0.00 176.83 175.67 2pyi h GLU 461 N 0.51 0.71 -0.09 3.45 4.39 -1.22 -2.98 114.58 119.35 2pyi h GLU 461 Ca 0.12 -0.30 -0.07 0.00 0.34 0.00 0.00 59.36 59.46 2pyi h GLU 461 Cb 0.13 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2pyi h GLU 461 CO -0.01 0.89 -0.24 0.82 -1.16 0.00 0.00 179.01 179.31 2pyi h ILE 462 N 0.50 1.22 -0.53 3.13 2.04 -0.92 -0.31 117.51 122.64 2pyi h ILE 462 Ca 0.08 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 64.94 2pyi h ILE 462 Cb 0.66 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 2pyi h ILE 462 CO 0.04 0.30 0.34 -0.07 0.00 0.00 0.00 178.15 178.77 2pyi h LEU 463 N 0.15 0.56 -0.39 1.44 3.38 -1.24 0.97 115.31 120.18 2pyi h LEU 463 Ca 0.02 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 2pyi h LEU 463 Cb 0.52 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2pyi h LEU 463 CO 0.04 0.40 -0.76 0.11 0.09 0.00 0.00 178.44 178.31 2pyi h LYS 464 N 0.68 0.00 0.11 1.13 1.57 -1.31 0.24 116.57 118.99 2pyi h LYS 464 Ca 0.21 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.67 2pyi h LYS 464 Cb -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2pyi h LYS 464 CO -0.07 0.76 -1.61 0.87 -0.57 0.00 0.00 179.45 178.83 2pyi h LYS 465 N 0.00 0.23 0.00 3.15 1.57 -0.83 -3.34 116.57 117.35 2pyi h LYS 465 Ca -0.01 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2pyi h LYS 465 Cb 1.40 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.85 2pyi h LYS 465 CO 0.10 1.07 0.00 0.25 -0.57 0.00 0.00 179.45 180.30 2pyi n THR 466 N -3.42 0.15 -0.01 -0.16 -2.24 0.31 -4.70 114.28 104.21 2pyi n THR 466 Ca -0.19 0.05 -0.09 0.00 -2.27 0.00 0.00 64.05 61.55 2pyi n THR 466 Cb 1.05 -0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 2pyi n THR 466 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2pyi h ILE 467 N 0.00 0.64 -0.35 2.28 5.03 -1.56 -2.79 117.51 120.76 2pyi h ILE 467 Ca 0.00 0.00 -0.24 0.00 -0.12 0.00 0.00 64.86 64.50 2pyi h ILE 467 Cb 0.00 0.64 -0.17 0.00 -3.03 0.00 0.00 36.82 34.26 2pyi h ILE 467 CO 0.00 0.00 -0.49 0.49 -0.68 0.00 0.00 178.15 177.47 2pyi n PHE 468 N -5.28 1.22 -0.24 1.37 0.99 0.85 -4.83 117.46 111.55 2pyi n PHE 468 Ca -0.03 -1.82 0.03 0.00 -0.00 0.00 0.00 57.45 55.64 2pyi n PHE 468 Cb 0.19 -0.36 0.16 0.00 -1.00 0.00 0.00 39.48 38.47 2pyi n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 2pyi h LYS 469 N 1.44 0.48 -0.84 -1.08 3.64 -1.42 0.85 116.57 119.63 2pyi h LYS 469 Ca 0.18 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2pyi h LYS 469 Cb 1.29 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 2pyi h LYS 469 CO 0.38 0.32 0.54 -0.44 -2.27 0.00 0.00 179.45 177.97 2pyi h ASP 470 N 0.49 0.97 -0.26 4.20 3.45 -1.88 -1.01 116.42 122.39 2pyi h ASP 470 Ca 0.38 -0.04 -0.14 0.00 0.43 0.00 0.00 57.03 57.65 2pyi h ASP 470 Cb 0.50 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 2pyi h ASP 470 CO -0.34 0.72 -0.37 -0.26 -1.57 0.00 0.00 179.24 177.42 2pyi h PHE 471 N 1.14 0.95 -0.72 4.55 0.04 -1.63 -2.51 116.94 118.75 2pyi h PHE 471 Ca 0.30 -0.27 -0.06 0.00 2.80 0.00 0.00 57.97 60.75 2pyi h PHE 471 Cb -0.11 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 37.81 2pyi h PHE 471 CO -0.01 1.04 0.23 -0.92 -0.60 0.00 0.00 178.31 178.05 2pyi h TYR 472 N 0.66 1.16 -0.39 -0.55 3.20 -0.52 -0.77 116.97 119.77 2pyi h TYR 472 Ca 0.06 -0.12 -0.08 0.00 3.14 0.00 0.00 58.73 61.74 2pyi h TYR 472 Cb 0.92 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 2pyi h TYR 472 CO 0.05 0.92 -0.09 0.93 -1.64 0.00 0.00 178.16 178.33 2pyi h GLU 473 N 1.07 0.66 -0.09 1.82 5.08 -1.12 -1.01 114.58 120.99 2pyi h GLU 473 Ca 0.23 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2pyi h GLU 473 Cb 0.30 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2pyi h GLU 473 CO -0.01 0.74 -0.16 1.25 -1.00 0.00 0.00 179.01 179.83 2pyi h LEU 474 N 0.61 0.29 -6.28 1.33 5.85 -1.19 -3.41 115.31 112.51 2pyi h LEU 474 Ca 0.11 -0.55 -0.58 0.00 0.84 0.00 0.00 57.88 57.70 2pyi h LEU 474 Cb 0.51 -0.08 -0.39 0.00 0.37 0.00 0.00 40.66 41.07 2pyi h LEU 474 CO 0.03 0.79 -0.96 -0.62 -0.34 0.00 0.00 178.44 177.34 2pyi n GLU 475 N -4.58 0.71 0.03 1.25 1.02 -0.32 -4.99 120.64 113.77 2pyi n GLU 475 Ca -0.07 -3.43 0.01 0.00 -0.02 0.00 0.00 57.16 53.65 2pyi n GLU 475 Cb 0.38 -1.60 0.34 0.00 -0.02 0.00 0.00 31.44 30.54 2pyi n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2pyi h PRO 476 N 4.89 0.45 0.00 3.49 0.13 -1.41 -2.38 132.00 137.17 2pyi h PRO 476 Ca 0.18 -0.09 -0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2pyi h PRO 476 Cb 0.87 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 2pyi h PRO 476 CO 0.47 0.48 -0.01 0.45 -0.23 0.00 0.00 178.00 179.16 2pyi h HIS 477 N 0.43 0.00 -0.16 1.56 3.86 -1.94 -2.61 115.15 116.30 2pyi h HIS 477 Ca 0.10 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.22 2pyi h HIS 477 Cb 0.29 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 2pyi h HIS 477 CO 0.01 0.01 -0.29 -0.22 0.86 0.00 0.00 177.93 178.30 2pyi h LYS 478 N 0.00 0.30 -5.77 2.45 3.64 -1.65 -3.45 116.57 112.09 2pyi h LYS 478 Ca -0.00 -0.11 -0.58 0.00 -1.27 0.00 0.00 60.65 58.68 2pyi h LYS 478 Cb 0.30 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.02 2pyi h LYS 478 CO 0.00 0.57 0.14 -0.06 -2.27 0.00 0.00 179.45 177.83 2pyi s PHE 479 N -4.40 3.42 0.26 1.91 0.08 -0.99 -0.85 117.98 117.42 2pyi s PHE 479 Ca -0.05 1.03 0.03 0.00 0.12 0.00 0.00 56.93 58.05 2pyi s PHE 479 Cb 0.14 -2.81 -0.05 0.00 -0.57 0.00 0.00 43.02 39.72 2pyi s PHE 479 CO 0.76 -0.12 0.04 -0.65 -0.10 0.00 0.00 175.22 175.16 2pyi s GLN 480 N 1.68 1.41 -0.04 0.44 -0.21 0.12 -4.96 119.66 118.10 2pyi s GLN 480 Ca 0.31 -1.74 0.05 0.00 0.02 0.00 0.00 55.36 54.00 2pyi s GLN 480 Cb -0.16 -0.55 -0.02 0.00 1.00 0.00 0.00 33.01 33.28 2pyi s GLN 480 CO 0.12 -0.18 -0.19 1.21 -2.12 0.00 0.00 175.29 174.14 2pyi s ASN 481 N -3.34 3.66 -0.39 5.90 3.04 -1.26 -2.48 114.94 120.08 2pyi s ASN 481 Ca 0.33 -0.30 0.01 0.00 0.04 0.00 0.00 52.86 52.94 2pyi s ASN 481 Cb 0.07 -0.69 0.14 0.00 -1.54 0.00 0.00 41.25 39.23 2pyi s ASN 481 CO 0.11 0.33 0.24 -0.54 -3.04 0.00 0.00 177.10 174.20 2pyi s LYS 482 N -0.65 0.81 0.24 0.43 -0.14 -0.80 -4.94 119.74 114.69 2pyi s LYS 482 Ca 0.10 -1.63 -0.31 0.00 -1.36 0.00 0.00 55.97 52.77 2pyi s LYS 482 Cb -0.11 -1.61 -0.13 0.00 -1.68 0.00 0.00 37.83 34.31 2pyi s LYS 482 CO 0.00 -1.22 1.52 2.41 -0.76 0.00 0.00 175.35 177.30 2pyi n THR 483 N 3.73 0.70 -0.63 2.17 -1.04 -1.26 -4.31 114.28 113.65 2pyi n THR 483 Ca 0.14 -0.17 -0.29 0.00 -2.04 0.00 0.00 64.05 61.68 2pyi n THR 483 Cb 0.38 -1.67 0.22 0.00 -1.82 0.00 0.00 70.33 67.44 2pyi n THR 483 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2pyi s ASN 484 N 0.55 1.74 0.30 8.00 0.02 0.23 -4.63 114.94 121.15 2pyi s ASN 484 Ca 0.70 1.75 -0.11 0.00 -1.02 0.00 0.00 52.86 54.18 2pyi s ASN 484 Cb -0.60 -2.39 0.01 0.00 0.02 0.00 0.00 41.25 38.29 2pyi s ASN 484 CO 0.45 -3.77 0.55 -0.83 0.02 0.00 0.00 177.10 173.52 2pyi s GLY 485 N -2.61 0.72 0.07 0.66 0.00 -1.26 -4.79 107.32 100.11 2pyi s GLY 485 Ca 0.68 -0.99 0.04 0.00 0.00 0.00 0.00 44.72 44.45 2pyi s GLY 485 CO 0.62 -0.64 -0.12 -0.26 0.00 0.00 0.00 173.10 172.70 2pyi s ILE 486 N -3.47 0.96 -0.07 0.90 -4.36 0.29 -4.49 121.20 110.97 2pyi s ILE 486 Ca 0.23 -1.30 -0.30 0.00 -0.26 0.00 0.00 60.65 59.02 2pyi s ILE 486 Cb -0.02 -1.00 -0.02 0.00 1.25 0.00 0.00 42.46 42.67 2pyi s ILE 486 CO 0.12 -0.30 1.09 0.28 0.24 0.00 0.00 174.94 176.37 2pyi s THR 487 N -1.44 4.56 -1.51 8.37 -1.32 -1.26 -0.91 115.64 122.14 2pyi s THR 487 Ca -0.03 1.84 0.23 0.00 -1.21 0.00 0.00 61.69 62.52 2pyi s THR 487 Cb -0.09 -4.19 0.43 0.00 -1.51 0.00 0.00 72.50 67.14 2pyi s THR 487 CO 0.02 0.02 1.74 -0.81 -2.21 0.00 0.00 174.62 173.38 2pyi n PRO 488 N 4.93 0.38 0.00 7.08 -0.04 -1.26 -0.98 135.00 145.11 2pyi n PRO 488 Ca 0.09 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2pyi n PRO 488 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 2pyi n PRO 488 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2pyi n ARG 489 N -1.25 0.00 -0.22 0.54 3.00 -1.26 -1.85 116.66 115.62 2pyi n ARG 489 Ca 0.12 0.33 0.01 0.00 -0.01 0.00 0.00 57.85 58.29 2pyi n ARG 489 Cb 0.17 -1.05 0.13 0.00 0.00 0.00 0.00 32.46 31.71 2pyi n ARG 489 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2pyi h ARG 490 N 0.00 0.46 -0.32 5.56 2.43 -1.97 -0.52 114.38 120.02 2pyi h ARG 490 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2pyi h ARG 490 Cb 0.00 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 2pyi h ARG 490 CO 0.00 0.30 0.00 0.91 -1.51 0.00 0.00 179.97 179.67 2pyi n TRP 491 N -4.96 0.42 0.14 2.20 7.02 -0.15 -2.77 117.44 119.35 2pyi n TRP 491 Ca 0.10 -0.21 0.00 0.00 -1.02 0.00 0.00 57.50 56.37 2pyi n TRP 491 Cb 0.29 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.18 2pyi n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 2pyi n LEU 492 N 0.74 -0.46 -0.17 -0.99 7.94 -0.97 -4.77 117.00 118.31 2pyi n LEU 492 Ca 0.16 0.49 -0.08 0.00 -1.11 0.00 0.00 56.01 55.47 2pyi n LEU 492 Cb 0.40 0.64 0.01 0.00 0.53 0.00 0.00 43.42 45.00 2pyi n LEU 492 CO 0.12 -0.69 1.00 0.58 -1.11 0.00 0.00 177.39 177.29 2pyi h VAL 493 N 0.00 1.19 0.21 1.96 2.07 -0.58 0.09 116.25 121.19 2pyi h VAL 493 Ca 0.00 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 2pyi h VAL 493 Cb 0.00 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2pyi h VAL 493 CO 0.00 0.21 -0.10 -0.07 0.02 0.00 0.00 177.57 177.63 2pyi h LEU 494 N 0.67 -0.24 -0.13 2.57 3.38 -1.26 -3.26 115.31 117.04 2pyi h LEU 494 Ca 0.17 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2pyi h LEU 494 Cb 0.10 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2pyi h LEU 494 CO -0.02 0.28 -0.24 0.00 0.09 0.00 0.00 178.44 178.55 2pyi n ASN 496 N -3.18 0.72 0.11 0.00 2.85 0.02 -4.85 115.26 110.93 2pyi n ASN 496 Ca 0.03 -2.92 0.04 0.00 -0.11 0.00 0.00 54.58 51.62 2pyi n ASN 496 Cb 0.61 -0.63 0.44 0.00 1.24 0.00 0.00 39.78 41.44 2pyi n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2pyi h PRO 497 N 3.37 0.27 -0.72 1.20 0.13 -1.63 -1.20 132.00 133.43 2pyi h PRO 497 Ca 0.09 -0.04 0.02 0.00 -0.87 0.00 0.00 66.00 65.21 2pyi h PRO 497 Cb 0.92 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 31.96 2pyi h PRO 497 CO 0.50 0.30 0.46 0.78 -0.23 0.00 0.00 178.00 179.81 2pyi h GLY 498 N 0.55 1.03 0.95 1.56 0.00 -1.90 0.20 103.07 105.46 2pyi h GLY 498 Ca 0.06 -0.35 -0.15 0.00 0.00 0.00 0.00 47.33 46.89 2pyi h GLY 498 CO 0.00 0.31 -0.51 -2.00 0.00 0.00 0.00 176.54 174.35 2pyi h LEU 499 N 0.91 0.71 -1.18 3.11 5.85 -1.77 -2.79 115.31 120.15 2pyi h LEU 499 Ca 0.28 -0.60 0.11 0.00 0.84 0.00 0.00 57.88 58.51 2pyi h LEU 499 Cb -0.02 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.73 2pyi h LEU 499 CO -0.09 1.19 0.59 0.00 -0.34 0.00 0.00 178.44 179.78 2pyi h ALA 500 N 0.54 1.65 -0.06 1.25 0.00 -0.95 -2.32 119.26 119.37 2pyi h ALA 500 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2pyi h ALA 500 Cb 1.13 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2pyi h ALA 500 CO 0.11 0.14 -0.11 1.49 0.00 0.00 0.00 179.25 180.88 2pyi h GLU 501 N 0.87 0.18 0.00 0.00 4.57 -0.57 -1.40 114.58 118.22 2pyi h GLU 501 Ca 0.44 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.46 2pyi h GLU 501 Cb 0.49 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2pyi h GLU 501 CO -0.20 0.68 -0.22 -0.84 -1.18 0.00 0.00 179.01 177.26 2pyi h ILE 502 N -0.31 0.96 0.02 2.32 3.07 -1.36 0.29 117.51 122.51 2pyi h ILE 502 Ca 0.00 -0.79 -0.00 0.00 1.55 0.00 0.00 64.86 65.62 2pyi h ILE 502 Cb 0.67 1.45 0.00 0.00 -0.27 0.00 0.00 36.82 38.67 2pyi h ILE 502 CO 0.02 0.21 -0.01 0.40 -1.05 0.00 0.00 178.15 177.73 2pyi h ILE 503 N 0.00 1.34 -0.49 0.16 2.04 -1.41 -3.28 117.51 115.87 2pyi h ILE 503 Ca -0.00 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.74 2pyi h ILE 503 Cb 0.43 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 2pyi h ILE 503 CO 0.03 0.29 0.32 0.00 0.00 0.00 0.00 178.15 178.79 2pyi h ALA 504 N 0.46 1.64 -0.27 1.87 0.00 -0.75 -0.78 119.26 121.42 2pyi h ALA 504 Ca -0.00 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.95 2pyi h ALA 504 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2pyi h ALA 504 CO 0.00 0.33 0.22 0.93 0.00 0.00 0.00 179.25 180.73 2pyi h GLU 505 N 0.67 0.00 0.01 0.00 5.08 -1.01 0.28 114.58 119.61 2pyi h GLU 505 Ca 0.18 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 58.14 2pyi h GLU 505 Cb -0.07 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.11 2pyi h GLU 505 CO -0.04 0.00 -2.43 0.54 -1.00 0.00 0.00 179.01 176.08 2pyi n ARG 506 N -4.26 0.65 0.00 2.33 5.12 -0.47 -4.75 116.66 115.28 2pyi n ARG 506 Ca 0.04 0.19 0.00 0.00 -1.93 0.00 0.00 57.85 56.14 2pyi n ARG 506 Cb 0.37 -1.54 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 2pyi n ARG 506 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 2pyi n ILE 507 N -3.46 0.74 -4.16 0.55 -5.35 -0.42 -5.12 119.36 102.14 2pyi n ILE 507 Ca -0.46 -0.87 0.00 0.00 -0.27 0.00 0.00 62.75 61.15 2pyi n ILE 507 Cb 0.97 0.63 0.00 0.00 -1.74 0.00 0.00 39.64 39.50 2pyi n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pyi n GLY 508 N -0.37 -1.89 0.41 3.28 0.00 0.08 -4.57 105.19 102.14 2pyi n GLY 508 Ca 0.00 -1.36 0.10 0.00 0.00 0.00 0.00 46.02 44.77 2pyi n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pyi n GLU 509 N -0.30 1.16 -0.01 1.61 1.02 -1.26 -4.15 120.64 118.71 2pyi n GLU 509 Ca 0.00 -0.84 0.14 0.00 -0.02 0.00 0.00 57.16 56.43 2pyi n GLU 509 Cb 0.00 -1.45 0.58 0.00 -0.02 0.00 0.00 31.44 30.55 2pyi n GLU 509 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2pyi h GLU 510 N 2.03 0.22 -0.22 3.49 5.08 -1.96 -2.09 114.58 121.13 2pyi h GLU 510 Ca 0.00 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2pyi h GLU 510 Cb 0.69 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2pyi h GLU 510 CO 0.00 0.14 0.20 0.10 -1.00 0.00 0.00 179.01 178.45 2pyi h TYR 511 N 0.22 0.00 -0.24 4.33 -0.00 -1.79 -2.57 116.97 116.92 2pyi h TYR 511 Ca 0.23 0.00 0.07 0.00 -0.00 0.00 0.00 58.73 59.03 2pyi h TYR 511 Cb 0.60 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.32 2pyi h TYR 511 CO -0.00 0.00 0.18 0.82 -0.00 0.00 0.00 178.16 179.16 2pyi h ILE 512 N 0.00 0.82 0.00 -0.90 2.04 -1.72 -0.81 117.51 116.94 2pyi h ILE 512 Ca 0.10 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 2pyi h ILE 512 Cb 0.50 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 2pyi h ILE 512 CO -0.00 0.00 -0.42 -1.54 0.00 0.00 0.00 178.15 176.19 2pyi n SER 513 N -4.37 1.49 -2.87 1.72 3.41 -1.05 -4.60 113.62 107.35 2pyi n SER 513 Ca 0.03 -2.96 -0.12 0.00 -0.26 0.00 0.00 58.87 55.56 2pyi n SER 513 Cb 0.33 -0.40 0.04 0.00 -0.26 0.00 0.00 64.21 63.92 2pyi n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2pyi n ASP 514 N -0.75 -1.69 0.31 4.04 4.64 -0.38 -5.04 116.55 117.68 2pyi n ASP 514 Ca 0.12 -3.35 0.19 0.00 -1.38 0.00 0.00 54.79 50.37 2pyi n ASP 514 Cb 0.75 1.18 1.01 0.00 -1.04 0.00 0.00 41.12 43.02 2pyi n ASP 514 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 2pyi h LEU 515 N 3.42 0.00 -2.71 -2.67 5.85 -1.65 -1.59 115.31 115.97 2pyi h LEU 515 Ca -0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2pyi h LEU 515 Cb 1.03 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 2pyi h LEU 515 CO 0.29 0.02 0.08 0.44 -0.34 0.00 0.00 178.44 178.93 2pyi h ASP 516 N 0.00 0.00 0.34 1.25 3.32 -1.86 -0.80 116.42 118.67 2pyi h ASP 516 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2pyi h ASP 516 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2pyi h ASP 516 CO 0.00 0.00 0.00 1.56 -1.72 0.00 0.00 179.24 179.08 2pyi h GLN 517 N 0.00 0.00 -0.01 3.56 4.20 -1.62 -2.43 115.11 118.81 2pyi h GLN 517 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2pyi h GLN 517 Cb 0.16 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 2pyi h GLN 517 CO -0.00 0.00 0.02 -0.07 -0.67 0.00 0.00 178.83 178.11 2pyi h LEU 518 N 0.00 0.00 -2.24 1.46 3.38 -1.37 -1.74 115.31 114.80 2pyi h LEU 518 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2pyi h LEU 518 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2pyi h LEU 518 CO 0.00 0.00 0.17 0.03 0.09 0.00 0.00 178.44 178.73 2pyi h ARG 519 N 0.00 0.00 -0.19 1.13 3.08 -0.78 -0.33 114.38 117.30 2pyi h ARG 519 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.11 2pyi h ARG 519 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2pyi h ARG 519 CO -0.00 0.00 0.18 0.87 -1.07 0.00 0.00 179.97 179.95 2pyi h LYS 520 N 0.00 0.00 0.00 0.04 1.57 -1.56 -2.08 116.57 114.54 2pyi h LYS 520 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2pyi h LYS 520 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2pyi h LYS 520 CO -0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.81 2pyi h LEU 521 N 0.00 0.00 -2.12 2.94 3.38 -1.25 -2.40 115.31 115.86 2pyi h LEU 521 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2pyi h LEU 521 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2pyi h LEU 521 CO -0.00 0.00 -0.07 -0.07 0.09 0.00 0.00 178.44 178.39 2pyi h LEU 522 N 0.00 0.00 -0.69 1.67 3.38 -1.55 -0.43 115.31 117.69 2pyi h LEU 522 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pyi h LEU 522 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2pyi h LEU 522 CO 0.00 0.07 0.00 -1.20 0.09 0.00 0.00 178.44 177.40 2pyi n SER 523 N -3.90 0.41 -0.79 -0.43 7.64 -0.90 -2.90 113.62 112.75 2pyi n SER 523 Ca -0.02 0.64 0.07 0.00 1.01 0.00 0.00 58.87 60.56 2pyi n SER 523 Cb 0.16 -0.71 0.20 0.00 -1.01 0.00 0.00 64.21 62.85 2pyi n SER 523 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2pyi n TYR 524 N -1.99 0.66 0.31 1.43 4.01 -0.17 -4.62 117.16 116.79 2pyi n TYR 524 Ca 0.01 -0.59 0.19 0.00 -0.16 0.00 0.00 57.90 57.34 2pyi n TYR 524 Cb 0.12 -0.10 1.04 0.00 -0.31 0.00 0.00 39.34 40.09 2pyi n TYR 524 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 2pyi h VAL 525 N 2.21 0.28 -0.12 -0.72 -1.51 -1.62 -1.64 116.25 113.13 2pyi h VAL 525 Ca 0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 2pyi h VAL 525 Cb 0.95 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 2pyi h VAL 525 CO 0.06 0.01 0.00 0.47 -1.23 0.00 0.00 177.57 176.88 2pyi n ASP 526 N -3.48 2.14 -4.62 4.19 10.43 -1.26 -4.86 116.55 119.08 2pyi n ASP 526 Ca -0.03 -1.70 -0.43 0.00 2.57 0.00 0.00 54.79 55.20 2pyi n ASP 526 Cb 0.09 -0.08 -0.02 0.00 1.84 0.00 0.00 41.12 42.95 2pyi n ASP 526 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2pyi s ASP 527 N -0.81 6.75 0.24 -2.24 2.15 -0.62 -4.92 116.67 117.22 2pyi s ASP 527 Ca 0.11 0.87 -0.06 0.00 0.43 0.00 0.00 52.55 53.91 2pyi s ASP 527 Cb 0.06 -2.54 0.30 0.00 -0.30 0.00 0.00 42.92 40.44 2pyi s ASP 527 CO 0.09 -1.07 1.89 -0.33 -0.17 0.00 0.00 175.17 175.57 2pyi h GLU 528 N 8.83 1.12 -0.27 4.34 4.39 -1.94 -0.74 114.58 130.32 2pyi h GLU 528 Ca -0.23 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.37 2pyi h GLU 528 Cb 1.07 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 2pyi h GLU 528 CO 1.07 0.74 0.05 0.00 -1.16 0.00 0.00 179.01 179.71 2pyi h ALA 529 N 1.38 0.35 -0.33 3.43 0.00 -1.96 -1.75 119.26 120.39 2pyi h ALA 529 Ca 0.37 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2pyi h ALA 529 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2pyi h ALA 529 CO -0.12 0.03 -0.04 0.35 0.00 0.00 0.00 179.25 179.47 2pyi h PHE 530 N 0.25 0.68 -0.57 0.00 3.04 -1.80 -0.38 116.94 118.16 2pyi h PHE 530 Ca 0.08 -0.13 0.09 0.00 3.98 0.00 0.00 57.97 61.99 2pyi h PHE 530 Cb 0.33 -0.17 -0.07 0.00 2.56 0.00 0.00 35.95 38.59 2pyi h PHE 530 CO 0.02 0.76 0.18 0.82 -2.02 0.00 0.00 178.31 178.07 2pyi h ILE 531 N 0.40 0.74 -0.24 1.41 2.04 -1.14 0.99 117.51 121.72 2pyi h ILE 531 Ca 0.09 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 2pyi h ILE 531 Cb 0.51 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2pyi h ILE 531 CO 0.02 0.06 0.14 -0.09 0.00 0.00 0.00 178.15 178.29 2pyi h ARG 532 N 0.34 0.32 -0.52 2.37 2.43 -1.07 -2.68 114.38 115.57 2pyi h ARG 532 Ca 0.29 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.31 2pyi h ARG 532 Cb 0.38 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 2pyi h ARG 532 CO -0.32 0.26 -0.14 -0.44 -1.51 0.00 0.00 179.97 177.82 2pyi h ASP 533 N 0.30 1.02 -0.25 -3.80 3.45 -0.51 0.16 116.42 116.78 2pyi h ASP 533 Ca 0.09 -0.35 0.00 0.00 0.43 0.00 0.00 57.03 57.20 2pyi h ASP 533 Cb 0.02 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.50 2pyi h ASP 533 CO -0.02 1.14 0.17 0.58 -1.57 0.00 0.00 179.24 179.54 2pyi h VAL 534 N 0.89 1.07 -0.55 -1.35 2.07 -0.81 -0.49 116.25 117.08 2pyi h VAL 534 Ca 0.13 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 2pyi h VAL 534 Cb 0.71 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2pyi h VAL 534 CO 0.05 0.07 -0.02 0.00 0.02 0.00 0.00 177.57 177.69 2pyi h ALA 535 N 1.09 0.91 -0.35 1.67 0.00 -1.32 -2.27 119.26 118.99 2pyi h ALA 535 Ca 0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2pyi h ALA 535 Cb -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2pyi h ALA 535 CO -0.02 0.64 0.20 -0.22 0.00 0.00 0.00 179.25 179.86 2pyi h LYS 536 N 0.89 0.49 -0.49 0.00 3.64 -0.73 -1.88 116.57 118.48 2pyi h LYS 536 Ca 0.16 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2pyi h LYS 536 Cb 0.55 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 2pyi h LYS 536 CO 0.03 0.38 0.30 0.28 -2.27 0.00 0.00 179.45 178.17 2pyi h VAL 537 N 0.45 1.15 -0.46 2.00 2.07 -0.94 -1.02 116.25 119.51 2pyi h VAL 537 Ca 0.13 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.33 2pyi h VAL 537 Cb 0.03 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 2pyi h VAL 537 CO -0.02 0.15 0.29 0.50 0.02 0.00 0.00 177.57 178.51 2pyi h LYS 538 N 0.66 0.57 -0.80 1.57 1.63 -1.27 -0.94 116.57 117.98 2pyi h LYS 538 Ca 0.18 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.93 2pyi h LYS 538 Cb -0.02 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.45 2pyi h LYS 538 CO -0.03 0.38 0.44 0.37 -3.45 0.00 0.00 179.45 177.15 2pyi h GLN 539 N 0.59 1.12 -0.63 1.90 5.75 -1.04 -0.59 115.11 122.21 2pyi h GLN 539 Ca 0.17 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 2pyi h GLN 539 Cb -0.04 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.26 2pyi h GLN 539 CO -0.05 0.83 0.41 0.93 -2.65 0.00 0.00 178.83 178.30 2pyi h GLU 540 N 1.11 0.83 -0.51 1.69 5.08 -0.83 -0.77 114.58 121.19 2pyi h GLU 540 Ca 0.28 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 2pyi h GLU 540 Cb 0.04 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2pyi h GLU 540 CO -0.04 0.56 -0.01 -0.91 -1.00 0.00 0.00 179.01 177.60 2pyi h ASN 541 N 0.85 0.84 -0.47 1.42 2.35 -0.76 -1.45 115.58 118.36 2pyi h ASN 541 Ca 0.23 -0.22 -0.13 0.00 -0.55 0.00 0.00 56.30 55.64 2pyi h ASN 541 Cb -0.09 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.05 2pyi h ASN 541 CO -0.05 0.91 -0.20 0.11 -1.65 0.00 0.00 177.43 176.55 2pyi h LYS 542 N 0.80 0.98 -0.63 0.81 1.57 -0.85 -1.27 116.57 117.98 2pyi h LYS 542 Ca 0.15 -0.41 -0.04 0.00 -1.87 0.00 0.00 60.65 58.49 2pyi h LYS 542 Cb 0.49 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 2pyi h LYS 542 CO 0.02 1.08 0.25 -0.07 -0.57 0.00 0.00 179.45 180.17 2pyi h LEU 543 N 0.85 0.86 -0.44 2.94 3.38 -1.03 -1.08 115.31 120.79 2pyi h LEU 543 Ca 0.11 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2pyi h LEU 543 Cb 0.77 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2pyi h LEU 543 CO 0.06 0.79 0.14 0.50 0.09 0.00 0.00 178.44 180.02 2pyi h LYS 544 N 0.87 0.69 -0.54 1.13 3.64 -1.11 -0.61 116.57 120.64 2pyi h LYS 544 Ca 0.21 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 2pyi h LYS 544 Cb 0.20 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2pyi h LYS 544 CO -0.02 0.67 -0.03 0.35 -2.27 0.00 0.00 179.45 178.14 2pyi h PHE 545 N 0.57 1.07 -0.82 1.91 3.57 -1.15 -0.60 116.94 121.49 2pyi h PHE 545 Ca 0.14 -0.20 0.06 0.00 3.53 0.00 0.00 57.97 61.50 2pyi h PHE 545 Cb 0.27 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 38.67 2pyi h PHE 545 CO 0.01 0.98 0.50 0.00 -2.23 0.00 0.00 178.31 177.58 2pyi h ALA 546 N 0.94 1.12 -0.28 2.41 0.00 -1.08 -1.40 119.26 120.98 2pyi h ALA 546 Ca 0.15 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2pyi h ALA 546 Cb 0.58 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2pyi h ALA 546 CO 0.03 0.25 -0.09 0.00 0.00 0.00 0.00 179.25 179.44 2pyi h ALA 547 N 1.39 1.33 -0.11 0.00 0.00 -0.73 -1.89 119.26 119.25 2pyi h ALA 547 Ca 0.36 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2pyi h ALA 547 Cb 0.16 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2pyi h ALA 547 CO -0.17 0.45 0.04 -0.92 0.00 0.00 0.00 179.25 178.65 2pyi h TYR 548 N 0.42 0.18 -0.43 0.00 5.03 -0.31 -1.32 116.97 120.55 2pyi h TYR 548 Ca 0.08 -0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.29 2pyi h TYR 548 Cb 0.43 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.63 2pyi h TYR 548 CO 0.01 0.31 -0.07 -0.07 -1.32 0.00 0.00 178.16 177.02 2pyi h LEU 549 N 0.00 0.73 -0.28 2.82 3.38 -1.13 -0.60 115.31 120.23 2pyi h LEU 549 Ca 0.04 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 2pyi h LEU 549 Cb 0.21 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2pyi h LEU 549 CO -0.00 0.84 -0.07 -0.08 0.09 0.00 0.00 178.44 179.21 2pyi h GLU 550 N 0.69 0.54 -0.22 1.13 4.57 -1.23 -0.98 114.58 119.08 2pyi h GLU 550 Ca 0.13 -0.21 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 2pyi h GLU 550 Cb 0.52 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 2pyi h GLU 550 CO 0.03 0.75 0.04 -0.09 -1.18 0.00 0.00 179.01 178.55 2pyi h ARG 551 N 0.30 0.36 0.00 1.92 2.43 -1.06 -1.86 114.38 116.47 2pyi h ARG 551 Ca 0.07 -0.10 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 2pyi h ARG 551 Cb 0.55 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2pyi h ARG 551 CO 0.03 0.50 -1.42 0.39 -1.51 0.00 0.00 179.97 177.96 2pyi n GLU 552 N -4.72 0.62 0.00 0.20 -0.58 -0.25 -4.53 120.64 111.39 2pyi n GLU 552 Ca -0.04 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 2pyi n GLU 552 Cb 0.19 -1.77 0.00 0.00 -0.57 0.00 0.00 31.44 29.29 2pyi n GLU 552 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2pyi n TYR 553 N -2.78 0.00 -2.71 -0.32 4.01 -0.42 -5.01 117.16 109.93 2pyi n TYR 553 Ca -0.08 -0.01 -0.15 0.00 -0.16 0.00 0.00 57.90 57.50 2pyi n TYR 553 Cb 0.77 -0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.80 2pyi n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2pyi n LYS 554 N -0.01 -2.69 -3.56 -0.72 4.76 -0.70 -4.95 118.16 110.29 2pyi n LYS 554 Ca 0.00 0.56 -0.37 0.00 -2.87 0.00 0.00 58.31 55.63 2pyi n LYS 554 Cb 0.19 -5.20 -0.09 0.00 -1.84 0.00 0.00 35.03 28.09 2pyi n LYS 554 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2pyi s VAL 555 N -2.71 5.30 -0.21 -0.18 1.01 -1.02 -4.92 120.40 117.67 2pyi s VAL 555 Ca 0.12 0.36 -0.13 0.00 0.00 0.00 0.00 61.98 62.33 2pyi s VAL 555 Cb -0.06 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2pyi s VAL 555 CO 0.15 0.30 0.29 -2.28 0.00 0.00 0.00 175.10 173.55 2pyi s HIS 556 N 1.26 3.36 0.08 5.22 2.46 -1.26 -2.95 115.29 123.46 2pyi s HIS 556 Ca 0.11 0.45 0.09 0.00 0.47 0.00 0.00 55.06 56.19 2pyi s HIS 556 Cb -0.14 -2.39 -0.03 0.00 -0.13 0.00 0.00 32.58 29.88 2pyi s HIS 556 CO 0.06 0.06 -0.23 0.96 -2.47 0.00 0.00 174.74 173.12 2pyi s ILE 557 N 1.09 2.45 -0.30 0.89 -4.36 -1.26 -5.09 121.20 114.61 2pyi s ILE 557 Ca 0.14 -1.46 -0.29 0.00 -0.26 0.00 0.00 60.65 58.78 2pyi s ILE 557 Cb -0.14 -2.04 -0.01 0.00 1.25 0.00 0.00 42.46 41.52 2pyi s ILE 557 CO 0.06 0.24 1.60 0.21 0.24 0.00 0.00 174.94 177.28 2pyi s ASN 558 N -1.67 6.25 0.46 4.36 2.47 -1.26 -4.89 114.94 120.66 2pyi s ASN 558 Ca 0.14 1.31 0.31 0.00 0.42 0.00 0.00 52.86 55.04 2pyi s ASN 558 Cb -0.10 -2.53 1.27 0.00 -1.45 0.00 0.00 41.25 38.44 2pyi s ASN 558 CO 0.05 -1.42 1.91 1.55 -3.72 0.00 0.00 177.10 175.47 2pyi h PRO 559 N 11.25 0.00 -1.08 0.43 0.13 -1.99 -2.80 132.00 137.95 2pyi h PRO 559 Ca -0.32 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.19 2pyi h PRO 559 Cb 1.14 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.00 2pyi h PRO 559 CO 1.03 0.00 0.81 0.09 -0.23 0.00 0.00 178.00 179.70 2pyi n ASN 560 N -2.82 7.45 -4.34 1.44 5.03 -1.26 -4.92 115.26 115.83 2pyi n ASN 560 Ca 0.01 -3.68 -0.22 0.00 0.87 0.00 0.00 54.58 51.57 2pyi n ASN 560 Cb 0.28 -0.99 -0.11 0.00 -1.02 0.00 0.00 39.78 37.94 2pyi n ASN 560 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2pyi s SER 561 N -1.52 2.74 -0.02 6.41 1.04 -1.06 -4.78 113.70 116.51 2pyi s SER 561 Ca 0.60 -0.89 -0.30 0.00 0.48 0.00 0.00 55.95 55.84 2pyi s SER 561 Cb 0.47 -0.17 -0.05 0.00 0.10 0.00 0.00 66.02 66.37 2pyi s SER 561 CO -0.01 -0.04 1.45 -0.22 0.98 0.00 0.00 173.24 175.40 2pyi s LEU 562 N -2.79 4.31 -0.61 2.42 0.20 0.27 -4.73 118.68 117.75 2pyi s LEU 562 Ca 0.17 2.12 -0.24 0.00 0.69 0.00 0.00 54.13 56.87 2pyi s LEU 562 Cb -0.05 -3.55 0.05 0.00 -0.43 0.00 0.00 46.19 42.20 2pyi s LEU 562 CO 0.07 -0.77 1.00 -0.36 -0.29 0.00 0.00 176.35 176.00 2pyi s PHE 563 N 2.83 2.69 -0.39 5.38 2.99 -1.26 -0.62 117.98 129.61 2pyi s PHE 563 Ca 0.65 -0.15 -0.13 0.00 0.00 0.00 0.00 56.93 57.30 2pyi s PHE 563 Cb -0.31 -4.23 0.02 0.00 0.00 0.00 0.00 43.02 38.50 2pyi s PHE 563 CO 0.26 -1.54 0.25 0.34 -0.00 0.00 0.00 175.22 174.53 2pyi s ASP 564 N 3.20 5.90 -0.12 1.36 3.68 0.01 -1.20 116.67 129.50 2pyi s ASP 564 Ca 0.29 -0.92 0.01 0.00 2.13 0.00 0.00 52.55 54.07 2pyi s ASP 564 Cb -0.13 -2.09 0.02 0.00 -1.45 0.00 0.00 42.92 39.27 2pyi s ASP 564 CO 0.16 -0.40 -0.15 -0.69 0.13 0.00 0.00 175.17 174.23 2pyi s VAL 565 N 1.62 1.51 -0.32 1.11 1.01 -0.20 0.61 120.40 125.74 2pyi s VAL 565 Ca 0.04 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.41 2pyi s VAL 565 Cb -0.19 -1.40 0.09 0.00 0.00 0.00 0.00 36.38 34.89 2pyi s VAL 565 CO 0.08 0.45 0.03 -1.58 0.00 0.00 0.00 175.10 174.07 2pyi s GLN 566 N 1.14 1.49 -0.12 2.72 0.74 0.05 -1.50 119.66 124.18 2pyi s GLN 566 Ca -0.03 -1.61 0.02 0.00 0.05 0.00 0.00 55.36 53.79 2pyi s GLN 566 Cb -0.14 -2.93 0.01 0.00 1.10 0.00 0.00 33.01 31.05 2pyi s GLN 566 CO -0.04 -0.87 -0.18 0.14 -0.55 0.00 0.00 175.29 173.79 2pyi s VAL 567 N 1.08 1.76 0.00 1.34 -7.23 -1.26 -1.76 120.40 114.32 2pyi s VAL 567 Ca 0.07 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.43 2pyi s VAL 567 Cb -0.19 -1.58 0.00 0.00 0.56 0.00 0.00 36.38 35.17 2pyi s VAL 567 CO -0.10 0.49 0.00 2.29 -0.31 0.00 0.00 175.10 177.47 2pyi n LYS 568 N 4.12 0.00 -1.68 4.82 2.85 -0.88 -4.98 118.16 122.41 2pyi n LYS 568 Ca -0.19 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.67 2pyi n LYS 568 Cb 0.51 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.92 2pyi n LYS 568 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2pyi n ARG 569 N -0.50 1.62 -2.46 -1.58 5.12 -1.26 -3.93 116.66 113.66 2pyi n ARG 569 Ca 0.00 0.59 -0.43 0.00 -1.93 0.00 0.00 57.85 56.08 2pyi n ARG 569 Cb 0.00 -2.33 -0.02 0.00 -1.16 0.00 0.00 32.46 28.95 2pyi n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2pyi s ILE 570 N -1.28 4.18 -0.01 0.55 -1.09 -0.60 -4.90 121.20 118.05 2pyi s ILE 570 Ca 0.66 1.32 -0.03 0.00 -2.23 0.00 0.00 60.65 60.37 2pyi s ILE 570 Cb -0.48 -4.23 -0.00 0.00 -1.58 0.00 0.00 42.46 36.16 2pyi s ILE 570 CO 0.54 -0.54 0.06 -1.00 -1.23 0.00 0.00 174.94 172.77 2pyi s HIS 571 N 4.36 0.03 0.22 3.97 3.76 -1.26 -4.71 115.29 121.66 2pyi s HIS 571 Ca 0.54 -0.06 -0.07 0.00 -0.15 0.00 0.00 55.06 55.32 2pyi s HIS 571 Cb -0.15 -0.04 0.29 0.00 1.11 0.00 0.00 32.58 33.79 2pyi s HIS 571 CO 0.23 -0.12 1.81 0.93 -0.85 0.00 0.00 174.74 176.74 2pyi h GLU 572 N 5.34 0.72 -0.05 1.40 5.08 -1.96 -2.76 114.58 122.35 2pyi h GLU 572 Ca -0.28 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 57.98 2pyi h GLU 572 Cb 1.20 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2pyi h GLU 572 CO 0.44 0.47 -0.28 0.10 -1.00 0.00 0.00 179.01 178.75 2pyi h TYR 573 N 0.74 0.09 0.00 4.33 -0.00 -1.96 -1.99 116.97 118.17 2pyi h TYR 573 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 58.73 59.05 2pyi h TYR 573 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 36.73 36.94 2pyi h TYR 573 CO -0.07 0.36 0.00 1.63 -0.00 0.00 0.00 178.16 180.07 2pyi n LYS 574 N -4.18 0.24 -3.54 0.10 5.02 -1.08 -2.58 118.16 112.15 2pyi n LYS 574 Ca -0.02 0.27 -0.21 0.00 -2.02 0.00 0.00 58.31 56.33 2pyi n LYS 574 Cb 0.34 -1.82 0.08 0.00 -0.02 0.00 0.00 35.03 33.62 2pyi n LYS 574 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2pyi n ARG 575 N -2.24 -7.39 -0.19 1.97 1.74 -0.75 -3.89 116.66 105.91 2pyi n ARG 575 Ca 0.05 0.83 0.25 0.00 -0.77 0.00 0.00 57.85 58.21 2pyi n ARG 575 Cb 0.37 -5.87 0.66 0.00 -1.02 0.00 0.00 32.46 26.60 2pyi n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2pyi h GLN 576 N -2.37 0.11 -0.65 5.56 7.50 -1.84 -1.32 115.11 122.10 2pyi h GLN 576 Ca -0.58 -0.01 -0.03 0.00 0.50 0.00 0.00 58.65 58.54 2pyi h GLN 576 Cb 1.36 -0.02 -0.03 0.00 0.05 0.00 0.00 27.48 28.83 2pyi h GLN 576 CO 0.54 0.07 0.30 -0.07 -1.50 0.00 0.00 178.83 178.17 2pyi h LEU 577 N 0.11 0.84 -0.61 1.46 3.38 -1.89 -0.30 115.31 118.29 2pyi h LEU 577 Ca 0.43 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.28 2pyi h LEU 577 Cb 1.52 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 2pyi h LEU 577 CO -0.06 0.73 0.28 0.25 0.09 0.00 0.00 178.44 179.73 2pyi h LEU 578 N 0.93 0.82 -0.31 1.67 5.85 -1.62 -1.02 115.31 121.63 2pyi h LEU 578 Ca 0.23 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.84 2pyi h LEU 578 Cb 0.12 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 2pyi h LEU 578 CO -0.03 0.73 0.08 -1.13 -0.34 0.00 0.00 178.44 177.75 2pyi h ASN 579 N 0.85 0.05 -0.71 1.25 -0.00 -1.29 -2.05 115.58 113.68 2pyi h ASN 579 Ca 0.21 0.04 0.11 0.00 -0.00 0.00 0.00 56.30 56.66 2pyi h ASN 579 Cb 0.15 0.05 -0.08 0.00 -0.00 0.00 0.00 38.32 38.44 2pyi h ASN 579 CO -0.02 0.06 0.32 0.00 -0.00 0.00 0.00 177.43 177.79 2pyi h LEU 581 N 0.54 0.98 -0.47 0.00 3.38 -0.77 -1.71 115.31 117.25 2pyi h LEU 581 Ca 0.36 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.16 2pyi h LEU 581 Cb 0.43 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2pyi h LEU 581 CO -0.31 0.78 -0.02 -0.74 0.09 0.00 0.00 178.44 178.24 2pyi h HIS 582 N 1.10 0.93 -0.49 1.13 2.76 -0.66 -1.12 115.15 118.79 2pyi h HIS 582 Ca 0.28 -0.17 0.03 0.00 -2.20 0.00 0.00 60.37 58.31 2pyi h HIS 582 Cb 0.01 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 28.69 2pyi h HIS 582 CO -0.00 0.90 0.28 0.28 -1.30 0.00 0.00 177.93 178.08 2pyi h VAL 583 N 0.70 1.02 -0.49 5.26 2.07 -0.80 0.34 116.25 124.35 2pyi h VAL 583 Ca 0.13 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 2pyi h VAL 583 Cb 0.54 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2pyi h VAL 583 CO 0.03 0.10 -0.01 0.40 0.02 0.00 0.00 177.57 178.11 2pyi h ILE 584 N 0.55 1.25 -0.19 4.57 2.04 -1.25 -1.69 117.51 122.79 2pyi h ILE 584 Ca 0.20 -1.04 0.03 0.00 1.00 0.00 0.00 64.86 65.05 2pyi h ILE 584 Cb 0.05 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 2pyi h ILE 584 CO -0.11 0.37 0.02 0.74 0.00 0.00 0.00 178.15 179.16 2pyi h THR 585 N 0.76 0.88 -0.49 -0.27 2.02 -0.41 0.22 112.91 115.63 2pyi h THR 585 Ca 0.14 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 67.34 2pyi h THR 585 Cb 0.48 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 2pyi h THR 585 CO 0.02 0.02 0.23 -0.07 0.37 0.00 0.00 175.52 176.09 2pyi h LEU 586 N 0.08 0.33 0.02 2.58 3.38 -0.67 -0.26 115.31 120.78 2pyi h LEU 586 Ca 0.09 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2pyi h LEU 586 Cb 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2pyi h LEU 586 CO -0.14 0.23 -0.01 0.22 0.09 0.00 0.00 178.44 178.83 2pyi h TYR 587 N 0.46 -0.03 -0.73 1.13 5.03 -0.86 -1.99 116.97 119.99 2pyi h TYR 587 Ca 0.22 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.49 2pyi h TYR 587 Cb 0.14 0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.39 2pyi h TYR 587 CO -0.11 -0.01 0.33 -0.91 -1.32 0.00 0.00 178.16 176.15 2pyi h ASN 588 N -0.04 0.96 -0.39 -2.11 2.35 -0.28 -1.82 115.58 114.24 2pyi h ASN 588 Ca -0.00 -0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.55 2pyi h ASN 588 Cb 0.03 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 2pyi h ASN 588 CO 0.00 0.82 -0.04 0.03 -1.65 0.00 0.00 177.43 176.60 2pyi h ARG 589 N 1.04 0.80 -0.25 0.81 3.08 -0.96 -1.19 114.38 117.72 2pyi h ARG 589 Ca 0.25 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2pyi h ARG 589 Cb 0.13 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2pyi h ARG 589 CO -0.03 0.83 0.10 0.82 -1.07 0.00 0.00 179.97 180.62 2pyi h ILE 590 N 0.74 1.17 -0.10 2.04 2.04 -0.99 -1.82 117.51 120.59 2pyi h ILE 590 Ca 0.14 -0.52 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 2pyi h ILE 590 Cb 0.50 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2pyi h ILE 590 CO 0.03 0.17 -0.21 0.11 0.00 0.00 0.00 178.15 178.25 2pyi h LYS 591 N 0.25 0.17 -0.09 2.37 1.79 -1.15 -0.20 116.57 119.72 2pyi h LYS 591 Ca 0.08 -0.05 -0.21 0.00 -2.18 0.00 0.00 60.65 58.30 2pyi h LYS 591 Cb 0.18 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 2pyi h LYS 591 CO -0.01 0.38 -0.80 0.87 -1.08 0.00 0.00 179.45 178.82 2pyi h LYS 592 N 0.16 0.56 -2.14 3.15 1.57 -1.10 -3.39 116.57 115.39 2pyi h LYS 592 Ca 0.03 -0.49 -0.57 0.00 -1.87 0.00 0.00 60.65 57.75 2pyi h LYS 592 Cb 0.47 0.11 -0.40 0.00 0.08 0.00 0.00 32.23 32.49 2pyi h LYS 592 CO 0.03 1.11 -0.97 0.39 -0.57 0.00 0.00 179.45 179.44 2pyi n GLU 593 N -3.86 1.01 0.27 3.15 1.02 -0.70 -4.99 120.64 116.55 2pyi n GLU 593 Ca -0.06 -3.54 0.13 0.00 -0.02 0.00 0.00 57.16 53.67 2pyi n GLU 593 Cb 0.75 -1.52 0.80 0.00 -0.02 0.00 0.00 31.44 31.45 2pyi n GLU 593 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2pyi h PRO 594 N 4.35 0.00 0.00 3.49 0.13 -1.24 -2.11 132.00 136.62 2pyi h PRO 594 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2pyi h PRO 594 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2pyi h PRO 594 CO 0.53 0.00 0.00 -0.91 -0.23 0.00 0.00 178.00 177.39 2pyi h ASN 595 N 0.00 0.00 -3.17 1.44 2.35 -1.94 -3.45 115.58 110.80 2pyi h ASN 595 Ca 0.01 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.21 2pyi h ASN 595 Cb 0.06 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 2pyi h ASN 595 CO -0.00 0.00 0.63 -0.75 -1.65 0.00 0.00 177.43 175.66 2pyi s LYS 596 N -3.23 4.39 0.27 0.81 2.20 -0.79 -4.99 119.74 118.39 2pyi s LYS 596 Ca 0.07 1.56 -0.30 0.00 -0.36 0.00 0.00 55.97 56.94 2pyi s LYS 596 Cb 0.09 -3.54 -0.10 0.00 -1.51 0.00 0.00 37.83 32.77 2pyi s LYS 596 CO 0.60 -0.37 1.45 0.12 -0.36 0.00 0.00 175.35 176.79 2pyi s PHE 597 N 2.03 2.97 0.05 4.03 5.36 -1.26 -5.03 117.98 126.13 2pyi s PHE 597 Ca 0.53 1.03 0.04 0.00 -0.96 0.00 0.00 56.93 57.57 2pyi s PHE 597 Cb -0.22 -3.85 -0.02 0.00 -0.34 0.00 0.00 43.02 38.59 2pyi s PHE 597 CO 0.21 -2.74 -0.12 0.14 -1.46 0.00 0.00 175.22 171.26 2pyi s VAL 598 N -0.14 0.90 0.01 3.12 -7.23 -1.26 -5.11 120.40 110.69 2pyi s VAL 598 Ca 0.59 -1.07 -0.30 0.00 -1.81 0.00 0.00 61.98 59.39 2pyi s VAL 598 Cb -0.43 -0.87 -0.08 0.00 0.56 0.00 0.00 36.38 35.57 2pyi s VAL 598 CO 0.45 -0.17 1.87 -0.69 -0.31 0.00 0.00 175.10 176.25 2pyi s VAL 599 N -1.08 3.19 0.31 1.32 1.01 -1.26 -4.93 120.40 118.96 2pyi s VAL 599 Ca -0.03 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 2pyi s VAL 599 Cb -0.09 -3.15 -0.12 0.00 0.00 0.00 0.00 36.38 33.02 2pyi s VAL 599 CO 0.01 -0.02 1.49 -2.65 0.00 0.00 0.00 175.10 173.93 2pyi n PRO 600 N 7.42 2.48 -4.49 2.72 -0.02 -1.26 -4.89 135.00 136.95 2pyi n PRO 600 Ca 0.19 0.88 -0.21 0.00 -2.02 0.00 0.00 63.50 62.34 2pyi n PRO 600 Cb 0.42 -2.59 -0.14 0.00 -0.02 0.00 0.00 33.50 31.16 2pyi n PRO 600 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2pyi s ARG 601 N -1.00 1.01 -0.38 -0.52 0.52 -0.85 -0.57 118.95 117.16 2pyi s ARG 601 Ca 0.61 -0.60 -0.08 0.00 -0.52 0.00 0.00 55.73 55.15 2pyi s ARG 601 Cb -0.53 -0.99 0.06 0.00 0.52 0.00 0.00 34.95 34.00 2pyi s ARG 601 CO 0.54 0.26 0.18 0.99 0.02 0.00 0.00 175.30 177.29 2pyi s THR 602 N -0.55 4.03 -0.34 0.02 2.01 0.21 -1.82 115.64 119.20 2pyi s THR 602 Ca 0.04 -1.24 -0.20 0.00 0.31 0.00 0.00 61.69 60.59 2pyi s THR 602 Cb -0.06 -3.37 -0.00 0.00 0.01 0.00 0.00 72.50 69.08 2pyi s THR 602 CO 0.00 -0.34 0.64 -0.69 -0.69 0.00 0.00 174.62 173.54 2pyi s VAL 603 N 1.42 4.90 -0.15 3.82 1.01 0.48 -0.81 120.40 131.06 2pyi s VAL 603 Ca 0.01 0.68 -0.02 0.00 0.00 0.00 0.00 61.98 62.65 2pyi s VAL 603 Cb -0.21 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 2pyi s VAL 603 CO 0.03 -0.26 -0.08 -0.04 0.00 0.00 0.00 175.10 174.75 2pyi s MET 604 N 2.68 3.49 -0.04 2.72 -1.94 0.20 -0.94 119.30 125.48 2pyi s MET 604 Ca 0.25 -0.61 0.03 0.00 -1.71 0.00 0.00 55.69 53.65 2pyi s MET 604 Cb -0.15 -2.80 0.00 0.00 2.01 0.00 0.00 34.83 33.89 2pyi s MET 604 CO 0.14 0.15 -0.14 0.42 -0.01 0.00 0.00 175.02 175.58 2pyi s ILE 605 N 0.55 1.21 0.08 2.53 1.01 -0.59 -0.77 121.20 125.22 2pyi s ILE 605 Ca -0.06 -0.58 -0.14 0.00 0.00 0.00 0.00 60.65 59.87 2pyi s ILE 605 Cb -0.15 -1.06 0.02 0.00 0.01 0.00 0.00 42.46 41.29 2pyi s ILE 605 CO 0.03 0.36 0.32 -0.83 0.00 0.00 0.00 174.94 174.82 2pyi s GLY 606 N 0.18 -0.14 0.00 6.18 0.00 -0.72 -0.30 107.32 112.52 2pyi s GLY 606 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.55 2pyi s GLY 606 CO 0.02 -0.35 0.00 0.61 0.00 0.00 0.00 173.10 173.38 2pyi n GLY 607 N 0.16 3.95 3.85 0.20 0.00 -1.25 -2.08 105.19 110.02 2pyi n GLY 607 Ca -0.17 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 2pyi n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pyi s LYS 608 N -2.73 3.89 -0.03 1.61 1.02 -1.26 -4.61 119.74 117.62 2pyi s LYS 608 Ca 0.00 0.36 -0.05 0.00 0.02 0.00 0.00 55.97 56.30 2pyi s LYS 608 Cb 0.00 -2.94 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 2pyi s LYS 608 CO 0.00 0.50 0.20 0.00 -0.92 0.00 0.00 175.35 175.13 2pyi s ALA 609 N -1.46 3.91 0.13 5.17 0.00 -1.26 -1.56 121.76 126.68 2pyi s ALA 609 Ca 0.37 -0.68 -0.31 0.00 0.00 0.00 0.00 51.96 51.34 2pyi s ALA 609 Cb -0.14 -1.96 -0.09 0.00 0.00 0.00 0.00 23.12 20.93 2pyi s ALA 609 CO 0.19 0.69 1.54 0.00 0.00 0.00 0.00 175.76 178.18 2pyi s ALA 610 N -1.24 3.72 0.39 0.00 0.00 -1.26 -4.90 121.76 118.46 2pyi s ALA 610 Ca 0.24 1.28 0.24 0.00 0.00 0.00 0.00 51.96 53.72 2pyi s ALA 610 Cb -0.13 -3.62 1.37 0.00 0.00 0.00 0.00 23.12 20.75 2pyi s ALA 610 CO 0.14 -0.80 1.54 -2.30 0.00 0.00 0.00 175.76 174.35 2pyi n PRO 611 N 4.28 -0.05 -0.62 0.00 -0.02 -1.26 -1.40 135.00 135.92 2pyi n PRO 611 Ca 0.14 1.31 0.07 0.00 -2.02 0.00 0.00 63.50 63.00 2pyi n PRO 611 Cb 0.40 -2.43 0.30 0.00 -0.02 0.00 0.00 33.50 31.75 2pyi n PRO 611 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pyi n GLY 612 N -1.34 3.80 3.24 -1.23 0.00 -1.26 -4.85 105.19 103.55 2pyi n GLY 612 Ca 0.38 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 2pyi n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2pyi s TYR 613 N -2.85 3.51 0.13 1.61 6.04 -0.49 -4.97 117.35 120.33 2pyi s TYR 613 Ca 0.47 -2.02 -0.20 0.00 0.04 0.00 0.00 57.07 55.36 2pyi s TYR 613 Cb 0.37 -3.58 -0.01 0.00 -1.04 0.00 0.00 41.96 37.70 2pyi s TYR 613 CO 0.11 -0.96 1.70 1.25 -1.54 0.00 0.00 175.55 176.10 2pyi h HIS 614 N 7.97 -0.13 -0.76 4.97 -0.00 -1.88 -2.43 115.15 122.88 2pyi h HIS 614 Ca -0.07 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.34 2pyi h HIS 614 Cb 1.04 0.09 -0.04 0.00 -0.00 0.00 0.00 27.41 28.50 2pyi h HIS 614 CO 0.80 -0.10 0.50 1.98 -0.00 0.00 0.00 177.93 181.11 2pyi h MET 615 N -0.01 0.97 -0.80 5.26 1.85 -1.97 -0.44 114.93 119.79 2pyi h MET 615 Ca 0.11 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.14 2pyi h MET 615 Cb 0.17 -0.22 -0.04 0.00 0.43 0.00 0.00 31.60 31.94 2pyi h MET 615 CO -0.23 0.64 0.51 0.00 -0.40 0.00 0.00 176.91 177.42 2pyi h ALA 616 N 1.30 1.02 -0.30 0.39 0.00 -1.79 0.12 119.26 119.99 2pyi h ALA 616 Ca 0.29 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 2pyi h ALA 616 Cb -0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 2pyi h ALA 616 CO -0.08 0.46 -0.25 0.87 0.00 0.00 0.00 179.25 180.25 2pyi h LYS 617 N 1.09 0.59 -0.47 0.00 1.57 -0.95 -2.54 116.57 115.87 2pyi h LYS 617 Ca 0.29 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 2pyi h LYS 617 Cb -0.08 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2pyi h LYS 617 CO -0.06 0.79 -0.07 0.52 -0.57 0.00 0.00 179.45 180.06 2pyi h MET 618 N 0.52 0.82 -0.45 3.15 2.86 -0.50 -2.71 114.93 118.61 2pyi h MET 618 Ca 0.07 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 2pyi h MET 618 Cb 0.71 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 2pyi h MET 618 CO 0.05 0.86 0.24 0.82 1.06 0.00 0.00 176.91 179.95 2pyi h ILE 619 N 0.75 1.16 -0.41 -1.22 2.04 -0.48 -0.52 117.51 118.82 2pyi h ILE 619 Ca 0.13 -0.42 0.04 0.00 1.00 0.00 0.00 64.86 65.61 2pyi h ILE 619 Cb 0.55 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 2pyi h ILE 619 CO 0.03 0.17 0.18 0.40 0.00 0.00 0.00 178.15 178.93 2pyi h ILE 620 N 0.59 0.93 -0.63 -0.67 2.04 -1.39 -1.45 117.51 116.94 2pyi h ILE 620 Ca 0.16 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 2pyi h ILE 620 Cb 0.06 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 2pyi h ILE 620 CO -0.02 0.07 0.36 0.50 0.00 0.00 0.00 178.15 179.05 2pyi h LYS 621 N 0.37 0.85 -0.46 2.37 1.63 -1.15 -2.14 116.57 118.04 2pyi h LYS 621 Ca 0.18 -0.08 -0.06 0.00 -0.85 0.00 0.00 60.65 59.85 2pyi h LYS 621 Cb 0.13 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 2pyi h LYS 621 CO -0.16 0.61 0.07 1.25 -3.45 0.00 0.00 179.45 177.78 2pyi h LEU 622 N 0.87 0.74 -0.10 5.20 5.85 -0.54 -0.02 115.31 127.30 2pyi h LEU 622 Ca 0.22 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.70 2pyi h LEU 622 Cb -0.01 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 2pyi h LEU 622 CO -0.04 0.82 -0.04 0.40 -0.34 0.00 0.00 178.44 179.24 2pyi h ILE 623 N 0.63 0.87 -0.74 4.05 2.04 -0.80 0.14 117.51 123.71 2pyi h ILE 623 Ca 0.14 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.95 2pyi h ILE 623 Cb 0.40 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 2pyi h ILE 623 CO 0.01 0.00 0.26 0.71 0.00 0.00 0.00 178.15 179.13 2pyi h THR 624 N -0.02 1.26 -0.56 -0.27 1.35 -1.35 -1.70 112.91 111.61 2pyi h THR 624 Ca 0.05 -0.85 -0.09 0.00 -0.55 0.00 0.00 66.41 64.97 2pyi h THR 624 Cb 0.10 0.41 -0.02 0.00 -1.73 0.00 0.00 68.15 66.90 2pyi h THR 624 CO -0.11 0.34 -0.02 0.00 -0.25 0.00 0.00 175.52 175.48 2pyi h ALA 625 N 1.20 0.90 -0.51 6.62 0.00 -0.61 0.19 119.26 127.04 2pyi h ALA 625 Ca 0.24 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2pyi h ALA 625 Cb 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2pyi h ALA 625 CO -0.01 0.65 0.30 0.82 0.00 0.00 0.00 179.25 181.01 2pyi h ILE 626 N 0.91 1.16 -0.84 0.00 2.04 -0.53 -2.64 117.51 117.61 2pyi h ILE 626 Ca 0.16 -0.38 0.06 0.00 1.00 0.00 0.00 64.86 65.69 2pyi h ILE 626 Cb 0.56 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 2pyi h ILE 626 CO 0.03 0.17 0.52 1.23 0.00 0.00 0.00 178.15 180.10 2pyi h GLY 627 N 0.68 1.26 1.00 5.37 0.00 -0.82 -0.54 103.07 110.02 2pyi h GLY 627 Ca 0.18 -0.38 0.08 0.00 0.00 0.00 0.00 47.33 47.21 2pyi h GLY 627 CO -0.03 0.27 0.47 -0.55 0.00 0.00 0.00 176.54 176.70 2pyi h ASP 628 N 0.97 0.60 0.00 0.19 3.32 -0.60 0.93 116.42 121.83 2pyi h ASP 628 Ca 0.36 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.39 2pyi h ASP 628 Cb 0.14 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 2pyi h ASP 628 CO -0.16 0.38 -0.24 0.58 -1.72 0.00 0.00 179.24 178.07 2pyi h VAL 629 N 0.68 0.57 -0.15 -1.35 2.07 -1.32 -3.37 116.25 113.39 2pyi h VAL 629 Ca 0.32 -1.48 0.01 0.00 0.82 0.00 0.00 66.70 66.37 2pyi h VAL 629 Cb 0.35 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2pyi h VAL 629 CO -0.11 0.19 0.06 0.58 0.02 0.00 0.00 177.57 178.31 2pyi h VAL 630 N -1.00 0.98 0.00 2.57 2.07 -1.00 -2.66 116.25 117.20 2pyi h VAL 630 Ca -0.04 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2pyi h VAL 630 Cb 0.51 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2pyi h VAL 630 CO -0.02 0.02 0.00 0.59 0.02 0.00 0.00 177.57 178.18 2pyi n ASN 631 N -5.05 0.00 0.00 0.57 3.02 0.31 -2.51 115.26 111.61 2pyi n ASN 631 Ca -0.04 0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 2pyi n ASN 631 Cb 0.06 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 2pyi n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2pyi n HIS 632 N -1.46 0.00 -2.83 3.10 8.25 -1.06 -4.95 115.22 116.27 2pyi n HIS 632 Ca 0.04 -0.35 -0.43 0.00 -0.26 0.00 0.00 57.72 56.72 2pyi n HIS 632 Cb 0.16 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.19 2pyi n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2pyi s ASP 633 N -0.70 6.63 0.55 0.41 3.68 -1.03 -4.93 116.67 121.27 2pyi s ASP 633 Ca 0.00 0.46 0.30 0.00 2.13 0.00 0.00 52.55 55.44 2pyi s ASP 633 Cb 0.00 -2.45 1.59 0.00 -1.45 0.00 0.00 42.92 40.61 2pyi s ASP 633 CO 0.00 -0.88 2.12 1.55 0.13 0.00 0.00 175.17 178.09 2pyi h PRO 634 N 8.59 0.00 -0.19 4.34 0.13 -1.93 -0.59 132.00 142.35 2pyi h PRO 634 Ca -0.24 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.80 2pyi h PRO 634 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2pyi h PRO 634 CO 0.98 0.08 -0.31 0.28 -0.23 0.00 0.00 178.00 178.81 2pyi h VAL 635 N 0.00 1.27 0.02 1.56 2.07 -1.97 -3.28 116.25 115.93 2pyi h VAL 635 Ca -0.00 -1.33 -0.06 0.00 0.82 0.00 0.00 66.70 66.13 2pyi h VAL 635 Cb 0.28 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2pyi h VAL 635 CO 0.01 0.41 -0.31 0.58 0.02 0.00 0.00 177.57 178.28 2pyi h VAL 636 N 0.32 1.62 0.00 2.57 2.07 -1.48 -3.49 116.25 117.86 2pyi h VAL 636 Ca 0.04 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.21 2pyi h VAL 636 Cb 0.71 3.20 0.00 0.00 -1.52 0.00 0.00 31.29 33.67 2pyi h VAL 636 CO 0.05 0.59 0.00 0.61 0.02 0.00 0.00 177.57 178.84 2pyi n GLY 637 N 1.60 3.00 0.29 2.17 0.00 -0.63 -1.97 105.19 109.64 2pyi n GLY 637 Ca -0.14 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 45.79 2pyi n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pyi n ASP 638 N 2.37 0.86 0.16 1.61 5.68 -1.26 -3.86 116.55 122.11 2pyi n ASP 638 Ca 0.00 -1.65 0.01 0.00 -0.50 0.00 0.00 54.79 52.65 2pyi n ASP 638 Cb 0.00 -0.07 0.26 0.00 -1.14 0.00 0.00 41.12 40.18 2pyi n ASP 638 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2pyi h ARG 639 N 1.09 0.00 -2.82 0.11 3.08 -1.74 -3.43 114.38 110.68 2pyi h ARG 639 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 2pyi h ARG 639 Cb 0.24 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 30.01 2pyi h ARG 639 CO 0.00 0.50 -0.41 -1.17 -1.07 0.00 0.00 179.97 177.82 2pyi s LEU 640 N -7.59 0.06 -0.02 3.04 2.96 -1.25 -2.01 118.68 113.87 2pyi s LEU 640 Ca -0.01 0.71 0.02 0.00 -0.22 0.00 0.00 54.13 54.63 2pyi s LEU 640 Cb 0.13 1.02 -0.00 0.00 0.50 0.00 0.00 46.19 47.83 2pyi s LEU 640 CO 0.73 -0.19 -0.09 -0.13 -1.32 0.00 0.00 176.35 175.36 2pyi s ARG 641 N 1.54 0.82 -0.19 1.98 1.81 -0.75 -4.66 118.95 119.49 2pyi s ARG 641 Ca -0.08 -0.29 0.01 0.00 -1.72 0.00 0.00 55.73 53.65 2pyi s ARG 641 Cb -0.10 -0.78 0.03 0.00 -0.45 0.00 0.00 34.95 33.65 2pyi s ARG 641 CO -0.11 0.14 -0.16 0.08 -0.68 0.00 0.00 175.30 174.57 2pyi s VAL 642 N 0.03 1.93 -0.01 3.52 1.01 -1.26 -0.38 120.40 125.23 2pyi s VAL 642 Ca -0.00 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.03 2pyi s VAL 642 Cb -0.06 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 2pyi s VAL 642 CO 0.00 0.38 -0.18 0.27 0.00 0.00 0.00 175.10 175.58 2pyi s ILE 643 N 1.31 1.39 -0.34 2.22 -4.36 -0.11 -4.50 121.20 116.80 2pyi s ILE 643 Ca 0.02 -0.76 -0.16 0.00 -0.26 0.00 0.00 60.65 59.49 2pyi s ILE 643 Cb -0.15 -1.16 -0.01 0.00 1.25 0.00 0.00 42.46 42.40 2pyi s ILE 643 CO -0.11 0.38 0.39 0.12 0.24 0.00 0.00 174.94 175.96 2pyi s PHE 644 N -0.43 3.21 -0.37 1.37 2.19 -1.26 -1.54 117.98 121.15 2pyi s PHE 644 Ca 0.07 0.03 -0.29 0.00 0.33 0.00 0.00 56.93 57.07 2pyi s PHE 644 Cb -0.07 -2.71 0.01 0.00 -1.31 0.00 0.00 43.02 38.94 2pyi s PHE 644 CO -0.01 -0.44 1.30 -0.51 1.83 0.00 0.00 175.22 177.39 2pyi s LEU 645 N 2.08 3.75 0.25 6.12 1.43 0.59 -4.96 118.68 127.94 2pyi s LEU 645 Ca 0.13 0.96 -0.30 0.00 -1.03 0.00 0.00 54.13 53.89 2pyi s LEU 645 Cb -0.16 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.43 2pyi s LEU 645 CO 0.12 -1.21 1.07 -0.70 0.23 0.00 0.00 176.35 175.86 2pyi s GLU 646 N 4.43 4.67 -1.09 1.70 2.12 -1.26 -4.08 118.70 125.19 2pyi s GLU 646 Ca 0.56 1.72 -0.01 0.00 0.36 0.00 0.00 54.97 57.60 2pyi s GLU 646 Cb -0.14 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 31.03 2pyi s GLU 646 CO 0.27 0.24 0.91 -1.71 -0.54 0.00 0.00 175.26 174.43 2pyi n ASN 647 N 1.54 -2.65 -4.70 -1.70 5.15 -1.25 -4.92 115.26 106.72 2pyi n ASN 647 Ca -0.00 -0.54 -0.42 0.00 -0.60 0.00 0.00 54.58 53.02 2pyi n ASN 647 Cb 0.46 -4.59 -0.03 0.00 -0.53 0.00 0.00 39.78 35.09 2pyi n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pyi n TYR 648 N -3.92 2.68 -3.86 1.20 9.36 -1.26 -4.85 117.16 116.50 2pyi n TYR 648 Ca -0.21 -0.06 -0.08 0.00 3.32 0.00 0.00 57.90 60.86 2pyi n TYR 648 Cb 0.64 -2.70 -0.01 0.00 -0.63 0.00 0.00 39.34 36.64 2pyi n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 2pyi s ARG 649 N 1.97 1.97 0.17 2.98 1.70 -1.26 -4.70 118.95 121.78 2pyi s ARG 649 Ca 0.79 -1.25 -0.14 0.00 -0.47 0.00 0.00 55.73 54.66 2pyi s ARG 649 Cb -0.49 0.60 0.14 0.00 -0.57 0.00 0.00 34.95 34.62 2pyi s ARG 649 CO 0.35 -0.90 1.74 0.28 -1.08 0.00 0.00 175.30 175.69 2pyi h VAL 650 N 2.03 0.83 -0.42 4.99 2.07 -1.95 0.17 116.25 123.98 2pyi h VAL 650 Ca -0.26 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 2pyi h VAL 650 Cb 1.25 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 2pyi h VAL 650 CO 0.33 0.06 0.10 0.77 0.02 0.00 0.00 177.57 178.84 2pyi h SER 651 N 0.30 0.57 0.12 0.57 4.64 -1.97 -1.66 113.55 116.12 2pyi h SER 651 Ca 0.21 -0.09 -0.20 0.00 -0.47 0.00 0.00 61.79 61.25 2pyi h SER 651 Cb 0.23 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2pyi h SER 651 CO -0.23 0.57 -0.77 0.25 -0.87 0.00 0.00 176.83 175.78 2pyi h LEU 652 N 0.60 0.66 -1.18 5.97 5.85 -1.72 -3.09 115.31 122.40 2pyi h LEU 652 Ca 0.14 -0.44 0.06 0.00 0.84 0.00 0.00 57.88 58.48 2pyi h LEU 652 Cb 0.24 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 2pyi h LEU 652 CO -0.00 1.21 0.57 0.00 -0.34 0.00 0.00 178.44 179.88 2pyi h ALA 653 N 0.78 1.53 0.00 1.25 0.00 -0.47 0.45 119.26 122.80 2pyi h ALA 653 Ca -0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2pyi h ALA 653 Cb 1.37 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2pyi h ALA 653 CO 0.14 0.34 -0.10 0.93 0.00 0.00 0.00 179.25 180.56 2pyi h GLU 654 N 1.00 0.00 0.01 0.00 5.08 -1.24 -1.83 114.58 117.60 2pyi h GLU 654 Ca 0.38 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.53 2pyi h GLU 654 Cb 0.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2pyi h GLU 654 CO -0.14 0.10 -1.14 0.87 -1.00 0.00 0.00 179.01 177.71 2pyi h LYS 655 N 0.00 0.03 0.19 2.33 1.57 -1.14 -3.41 116.57 116.14 2pyi h LYS 655 Ca -0.00 -0.05 -0.31 0.00 -1.87 0.00 0.00 60.65 58.42 2pyi h LYS 655 Cb 0.45 0.02 0.03 0.00 0.08 0.00 0.00 32.23 32.81 2pyi h LYS 655 CO 0.01 1.02 -1.36 -0.24 -0.57 0.00 0.00 179.45 178.32 2pyi h VAL 656 N -0.90 1.34 -0.41 0.50 3.04 -0.97 -3.35 116.25 115.50 2pyi h VAL 656 Ca -0.30 -2.72 0.02 0.00 -1.01 0.00 0.00 66.70 62.68 2pyi h VAL 656 Cb 1.33 2.92 -0.03 0.00 -2.01 0.00 0.00 31.29 33.50 2pyi h VAL 656 CO -0.15 0.81 0.23 0.40 -1.01 0.00 0.00 177.57 177.85 2pyi h ILE 657 N 0.16 1.02 0.00 3.17 2.04 -1.55 -0.83 117.51 121.52 2pyi h ILE 657 Ca -0.21 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.49 2pyi h ILE 657 Cb 2.05 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 2pyi h ILE 657 CO 0.25 0.08 0.00 -0.65 0.00 0.00 0.00 178.15 177.83 2pyi h PRO 658 N 0.46 0.00 -0.01 2.37 0.11 -1.79 -2.17 132.00 130.97 2pyi h PRO 658 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2pyi h PRO 658 Cb 0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.14 2pyi h PRO 658 CO -0.09 0.00 -0.27 0.00 -0.21 0.00 0.00 178.00 177.43 2pyi n ALA 659 N -1.81 3.11 -1.88 -0.75 0.00 -0.35 -4.70 120.51 114.12 2pyi n ALA 659 Ca 0.00 -0.49 -0.39 0.00 0.00 0.00 0.00 53.44 52.56 2pyi n ALA 659 Cb 0.15 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.51 2pyi n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pyi s ALA 660 N -2.40 3.39 -0.24 0.00 0.00 -0.82 -4.61 121.76 117.09 2pyi s ALA 660 Ca 0.25 0.47 -0.06 0.00 0.00 0.00 0.00 51.96 52.61 2pyi s ALA 660 Cb 0.19 -3.07 -0.18 0.00 0.00 0.00 0.00 23.12 20.07 2pyi s ALA 660 CO 0.50 0.25 -0.11 -0.25 0.00 0.00 0.00 175.76 176.15 2pyi n ASP 661 N 1.44 1.99 -4.14 0.00 8.00 -0.34 -4.04 116.55 119.46 2pyi n ASP 661 Ca -0.04 0.10 -0.30 0.00 0.71 0.00 0.00 54.79 55.26 2pyi n ASP 661 Cb 0.48 -0.65 -0.17 0.00 -0.02 0.00 0.00 41.12 40.76 2pyi n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2pyi s LEU 662 N -7.00 1.94 -0.31 0.64 2.96 -0.35 -0.74 118.68 115.82 2pyi s LEU 662 Ca -0.33 -0.51 -0.12 0.00 -0.22 0.00 0.00 54.13 52.95 2pyi s LEU 662 Cb 0.10 -1.27 -0.03 0.00 0.50 0.00 0.00 46.19 45.49 2pyi s LEU 662 CO 0.60 0.08 0.21 -0.55 -1.32 0.00 0.00 176.35 175.37 2pyi s SER 663 N 0.70 5.99 -0.38 3.68 0.15 0.57 -1.03 113.70 123.37 2pyi s SER 663 Ca -0.12 -0.23 -0.22 0.00 0.70 0.00 0.00 55.95 56.09 2pyi s SER 663 Cb -0.16 -2.12 0.01 0.00 -1.71 0.00 0.00 66.02 62.04 2pyi s SER 663 CO 0.02 -0.14 0.70 -1.61 1.20 0.00 0.00 173.24 173.41 2pyi s GLU 664 N 1.73 3.60 -0.49 5.44 0.41 -0.56 -1.29 118.70 127.54 2pyi s GLU 664 Ca 0.06 0.04 0.06 0.00 -0.41 0.00 0.00 54.97 54.73 2pyi s GLU 664 Cb -0.17 -3.85 0.21 0.00 -1.78 0.00 0.00 34.13 28.54 2pyi s GLU 664 CO 0.10 -0.87 0.49 1.04 -0.49 0.00 0.00 175.26 175.54 2pyi n GLN 665 N 6.29 0.99 -0.58 1.61 1.13 -0.48 -4.75 117.38 121.59 2pyi n GLN 665 Ca 0.00 -3.63 0.06 0.00 -1.94 0.00 0.00 57.00 51.49 2pyi n GLN 665 Cb 0.48 -1.71 0.21 0.00 0.11 0.00 0.00 30.24 29.33 2pyi n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2pyi n ILE 666 N 1.92 2.20 -1.71 5.09 -5.35 -1.26 -2.50 119.36 117.75 2pyi n ILE 666 Ca 0.25 -3.19 -0.39 0.00 -0.27 0.00 0.00 62.75 59.16 2pyi n ILE 666 Cb 0.46 -0.24 0.04 0.00 -1.74 0.00 0.00 39.64 38.17 2pyi n ILE 666 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2pyi n SER 667 N -1.14 2.16 -4.71 7.28 3.41 -1.25 -4.62 113.62 114.75 2pyi n SER 667 Ca 0.19 0.94 -0.43 0.00 -0.26 0.00 0.00 58.87 59.31 2pyi n SER 667 Cb 0.69 -1.52 -0.03 0.00 -0.26 0.00 0.00 64.21 63.09 2pyi n SER 667 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2pyi n THR 668 N -1.18 0.17 -1.64 6.66 -1.04 -1.06 -4.65 114.28 111.53 2pyi n THR 668 Ca 0.11 -0.04 -0.51 0.00 -2.04 0.00 0.00 64.05 61.57 2pyi n THR 668 Cb 0.45 -1.88 -0.06 0.00 -1.82 0.00 0.00 70.33 67.02 2pyi n THR 668 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pyi n ALA 669 N 3.55 -0.04 -0.01 2.41 0.00 -1.26 -1.67 120.51 123.49 2pyi n ALA 669 Ca 0.15 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2pyi n ALA 669 Cb 0.34 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.57 2pyi n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pyi n GLY 670 N 3.22 0.32 0.11 0.00 0.00 -1.26 -4.62 105.19 102.95 2pyi n GLY 670 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 2pyi n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pyi n THR 671 N -2.00 1.26 -2.95 2.61 -2.24 -0.67 -4.86 114.28 105.42 2pyi n THR 671 Ca 0.00 -0.55 -0.43 0.00 -2.27 0.00 0.00 64.05 60.80 2pyi n THR 671 Cb 0.00 -1.10 -0.05 0.00 -2.10 0.00 0.00 70.33 67.08 2pyi n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2pyi s GLU 672 N -2.44 3.41 0.25 -0.78 2.56 -1.26 -4.71 118.70 115.73 2pyi s GLU 672 Ca -0.25 -0.09 -0.04 0.00 0.00 0.00 0.00 54.97 54.59 2pyi s GLU 672 Cb 0.07 -3.94 0.38 0.00 2.00 0.00 0.00 34.13 32.64 2pyi s GLU 672 CO 0.57 -1.14 1.82 0.00 -0.56 0.00 0.00 175.26 175.96 2pyi h ALA 673 N 9.00 1.20 0.00 6.30 0.00 -1.89 -2.90 119.26 130.96 2pyi h ALA 673 Ca -0.25 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2pyi h ALA 673 Cb 1.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2pyi h ALA 673 CO 0.97 0.16 0.00 0.45 0.00 0.00 0.00 179.25 180.83 2pyi n SER 674 N -4.70 -0.99 0.00 0.00 2.88 -1.26 -4.00 113.62 105.56 2pyi n SER 674 Ca 0.13 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 2pyi n SER 674 Cb 0.25 1.08 0.00 0.00 -0.75 0.00 0.00 64.21 64.79 2pyi n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2pyi n GLY 675 N 0.62 -1.99 0.00 0.46 0.00 -1.26 -0.90 105.19 102.11 2pyi n GLY 675 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.63 2pyi n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pyi n THR 676 N -1.00 0.00 -0.31 2.61 -2.24 -1.26 -4.77 114.28 107.31 2pyi n THR 676 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2pyi n THR 676 Cb 0.00 -0.07 0.13 0.00 -2.10 0.00 0.00 70.33 68.29 2pyi n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2pyi h GLY 677 N 0.00 1.26 -0.39 3.38 0.00 -1.95 -1.80 103.07 103.57 2pyi h GLY 677 Ca 0.00 -0.39 0.19 0.00 0.00 0.00 0.00 47.33 47.12 2pyi h GLY 677 CO 0.00 0.29 0.05 3.45 0.00 0.00 0.00 176.54 180.33 2pyi h ASN 678 N 0.99 -0.28 0.00 0.19 7.08 -1.94 -1.89 115.58 119.73 2pyi h ASN 678 Ca 0.36 0.20 0.00 0.00 -3.08 0.00 0.00 56.30 53.78 2pyi h ASN 678 Cb 0.11 0.33 0.00 0.00 -2.08 0.00 0.00 38.32 36.68 2pyi h ASN 678 CO -0.15 -0.17 0.00 0.23 -2.08 0.00 0.00 177.43 175.25 2pyi n MET 679 N -5.32 0.36 0.00 4.14 2.81 -0.68 -2.22 117.12 116.22 2pyi n MET 679 Ca 0.15 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 2pyi n MET 679 Cb 0.52 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.73 2pyi n MET 679 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2pyi n PHE 681 N 0.75 0.00 -0.16 2.03 3.72 -0.71 -1.63 117.46 121.46 2pyi n PHE 681 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 2pyi n PHE 681 Cb 0.17 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 2pyi n PHE 681 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 2pyi h MET 682 N 0.00 0.70 0.00 -1.08 4.05 -1.65 -2.08 114.93 114.86 2pyi h MET 682 Ca 0.00 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.25 2pyi h MET 682 Cb 0.00 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 30.69 2pyi h MET 682 CO 0.00 0.64 -0.15 1.25 0.23 0.00 0.00 176.91 178.88 2pyi h LEU 683 N 0.60 0.00 -3.01 3.39 5.85 -1.59 -3.20 115.31 117.35 2pyi h LEU 683 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2pyi h LEU 683 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2pyi h LEU 683 CO -0.01 0.15 0.00 0.59 -0.34 0.00 0.00 178.44 178.83 2pyi n ASN 684 N -3.82 4.00 0.00 1.25 3.02 -0.97 -4.90 115.26 113.84 2pyi n ASN 684 Ca -0.02 -2.31 0.00 0.00 -0.03 0.00 0.00 54.58 52.22 2pyi n ASN 684 Cb 0.26 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 2pyi n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pyi n GLY 685 N 0.85 0.79 3.83 7.41 0.00 -1.10 -4.74 105.19 112.23 2pyi n GLY 685 Ca 0.21 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 2pyi n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pyi s ALA 686 N -2.00 3.74 0.26 4.61 0.00 -0.82 -4.81 121.76 122.74 2pyi s ALA 686 Ca 0.00 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 2pyi s ALA 686 Cb 0.00 -1.63 -0.06 0.00 0.00 0.00 0.00 23.12 21.44 2pyi s ALA 686 CO 0.00 0.76 0.54 -0.51 0.00 0.00 0.00 175.76 176.56 2pyi s LEU 687 N -2.25 4.10 -0.17 0.00 1.43 0.08 -4.41 118.68 117.46 2pyi s LEU 687 Ca 0.29 0.78 -0.04 0.00 -1.03 0.00 0.00 54.13 54.13 2pyi s LEU 687 Cb -0.12 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 2pyi s LEU 687 CO 0.22 -0.14 -0.02 -0.89 0.23 0.00 0.00 176.35 175.75 2pyi s THR 688 N -1.97 3.98 -0.26 5.49 2.01 -1.26 -0.32 115.64 123.31 2pyi s THR 688 Ca 0.45 -0.32 -0.09 0.00 0.31 0.00 0.00 61.69 62.05 2pyi s THR 688 Cb -0.11 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 2pyi s THR 688 CO 0.27 0.47 0.11 -0.51 -0.69 0.00 0.00 174.62 174.27 2pyi s ILE 689 N 0.58 4.63 0.19 1.82 2.07 -0.41 -0.55 121.20 129.52 2pyi s ILE 689 Ca -0.02 -0.07 -0.23 0.00 -1.41 0.00 0.00 60.65 58.92 2pyi s ILE 689 Cb -0.14 -3.19 0.05 0.00 0.13 0.00 0.00 42.46 39.32 2pyi s ILE 689 CO 0.02 0.30 0.78 -0.83 -1.91 0.00 0.00 174.94 173.31 2pyi s GLY 690 N 1.66 -0.28 0.59 1.50 0.00 -0.24 -1.38 107.32 109.16 2pyi s GLY 690 Ca 0.07 0.13 -0.05 0.00 0.00 0.00 0.00 44.72 44.86 2pyi s GLY 690 CO 0.06 0.04 0.90 -0.51 0.00 0.00 0.00 173.10 173.58 2pyi s THR 691 N -3.62 3.52 -1.35 0.90 -4.23 -1.04 -1.86 115.64 107.96 2pyi s THR 691 Ca 0.08 -0.07 -0.17 0.00 -1.18 0.00 0.00 61.69 60.36 2pyi s THR 691 Cb -0.03 -3.40 0.06 0.00 1.34 0.00 0.00 72.50 70.47 2pyi s THR 691 CO -0.00 -0.40 1.89 0.23 -0.54 0.00 0.00 174.62 175.79 2pyi n MET 692 N -2.58 3.09 -4.01 3.99 2.81 -1.26 -4.67 117.12 114.48 2pyi n MET 692 Ca 0.05 -3.07 -0.12 0.00 -1.81 0.00 0.00 57.70 52.74 2pyi n MET 692 Cb 0.58 -3.44 -0.13 0.00 -0.71 0.00 0.00 33.22 29.52 2pyi n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2pyi s ASP 693 N 3.92 0.39 1.02 7.83 3.68 -1.26 -4.61 116.67 127.64 2pyi s ASP 693 Ca 0.52 -0.25 0.00 0.00 2.13 0.00 0.00 52.55 54.95 2pyi s ASP 693 Cb 0.07 0.01 0.00 0.00 -1.45 0.00 0.00 42.92 41.55 2pyi s ASP 693 CO 0.03 -0.10 0.00 0.61 0.13 0.00 0.00 175.17 175.84 2pyi n GLY 694 N 2.37 2.88 0.00 2.66 0.00 -1.10 -1.49 105.19 110.51 2pyi n GLY 694 Ca -0.17 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 45.81 2pyi n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pyi n ALA 695 N 9.12 2.30 -0.35 4.61 0.00 -0.08 -3.31 120.51 132.80 2pyi n ALA 695 Ca 0.00 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.46 2pyi n ALA 695 Cb 0.00 -1.45 0.32 0.00 0.00 0.00 0.00 19.45 18.32 2pyi n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2pyi h ASN 696 N 0.00 0.78 -0.40 0.00 4.21 -1.44 0.09 115.58 118.82 2pyi h ASN 696 Ca 0.00 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.60 2pyi h ASN 696 Cb 0.43 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.56 2pyi h ASN 696 CO 0.00 0.29 0.26 0.58 -1.29 0.00 0.00 177.43 177.27 2pyi h VAL 697 N 0.77 1.11 -0.03 2.81 2.07 -1.65 -1.25 116.25 120.08 2pyi h VAL 697 Ca 0.57 -0.21 -0.16 0.00 0.82 0.00 0.00 66.70 67.71 2pyi h VAL 697 Cb 0.88 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2pyi h VAL 697 CO -0.36 0.11 -0.71 -0.33 0.02 0.00 0.00 177.57 176.30 2pyi h GLU 698 N 0.54 0.17 -0.27 1.57 5.08 -1.56 -1.44 114.58 118.66 2pyi h GLU 698 Ca 0.15 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2pyi h GLU 698 Cb -0.05 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2pyi h GLU 698 CO -0.03 0.81 0.12 0.52 -1.00 0.00 0.00 179.01 179.43 2pyi h MET 699 N 0.12 0.39 -0.46 2.33 2.86 -0.76 0.09 114.93 119.50 2pyi h MET 699 Ca -0.02 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.48 2pyi h MET 699 Cb 1.26 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.83 2pyi h MET 699 CO 0.11 0.40 -0.04 0.00 1.06 0.00 0.00 176.91 178.44 2pyi h ALA 700 N 0.97 1.07 -0.34 6.32 0.00 -1.20 -1.98 119.26 124.11 2pyi h ALA 700 Ca 0.09 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2pyi h ALA 700 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2pyi h ALA 700 CO -0.01 0.58 0.19 1.49 0.00 0.00 0.00 179.25 181.50 2pyi h GLU 701 N 0.72 0.47 -0.55 0.00 4.81 -0.98 0.19 114.58 119.24 2pyi h GLU 701 Ca 0.14 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2pyi h GLU 701 Cb 0.49 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 2pyi h GLU 701 CO 0.03 0.37 0.29 0.93 -0.73 0.00 0.00 179.01 179.90 2pyi h GLU 702 N 0.43 0.78 0.00 1.92 4.39 -0.79 -3.19 114.58 118.12 2pyi h GLU 702 Ca 0.12 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 2pyi h GLU 702 Cb 0.04 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 2pyi h GLU 702 CO -0.02 0.62 -0.86 0.00 -1.16 0.00 0.00 179.01 177.58 2pyi h ALA 703 N 1.12 0.65 -0.05 3.43 0.00 -1.30 -3.47 119.26 119.64 2pyi h ALA 703 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2pyi h ALA 703 Cb 0.08 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2pyi h ALA 703 CO -0.03 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.94 2pyi n GLY 704 N 1.22 0.15 0.31 0.00 0.00 0.65 -4.66 105.19 102.86 2pyi n GLY 704 Ca -0.01 -1.23 0.15 0.00 0.00 0.00 0.00 46.02 44.92 2pyi n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2pyi h GLU 705 N 0.00 0.00 0.00 1.61 5.08 -1.83 0.50 114.58 119.95 2pyi h GLU 705 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pyi h GLU 705 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2pyi h GLU 705 CO 0.00 0.00 0.00 -0.85 -1.00 0.00 0.00 179.01 177.16 2pyi n GLU 706 N -3.99 0.16 -0.22 2.33 0.00 -1.26 -2.00 120.64 115.66 2pyi n GLU 706 Ca -0.00 0.58 0.08 0.00 0.00 0.00 0.00 57.16 57.81 2pyi n GLU 706 Cb 0.22 -1.95 0.19 0.00 0.00 0.00 0.00 31.44 29.90 2pyi n GLU 706 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2pyi n ASN 707 N -2.28 3.17 -4.21 -1.84 3.02 0.17 -4.95 115.26 108.34 2pyi n ASN 707 Ca -0.00 -1.96 -0.22 0.00 -0.03 0.00 0.00 54.58 52.36 2pyi n ASN 707 Cb 0.09 -0.28 -0.13 0.00 -0.61 0.00 0.00 39.78 38.85 2pyi n ASN 707 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2pyi s PHE 708 N -1.03 1.52 -1.18 3.10 0.40 -0.85 -4.75 117.98 115.19 2pyi s PHE 708 Ca 0.30 -0.38 -0.11 0.00 -0.60 0.00 0.00 56.93 56.14 2pyi s PHE 708 Cb 0.16 -0.88 0.22 0.00 0.51 0.00 0.00 43.02 43.03 2pyi s PHE 708 CO 0.21 0.09 1.39 1.19 0.70 0.00 0.00 175.22 178.80 2pyi n PHE 709 N 1.65 4.64 -3.18 0.36 3.72 0.28 -4.96 117.46 119.97 2pyi n PHE 709 Ca -0.18 -3.42 -0.39 0.00 -0.05 0.00 0.00 57.45 53.41 2pyi n PHE 709 Cb 0.54 -1.94 -0.05 0.00 -0.94 0.00 0.00 39.48 37.09 2pyi n PHE 709 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2pyi s ILE 710 N 0.17 4.96 0.17 4.37 -1.09 -1.26 -1.08 121.20 127.44 2pyi s ILE 710 Ca 0.38 1.27 -0.07 0.00 -2.23 0.00 0.00 60.65 60.00 2pyi s ILE 710 Cb -0.03 -3.95 -0.02 0.00 -1.58 0.00 0.00 42.46 36.88 2pyi s ILE 710 CO -0.02 0.37 0.24 0.72 -1.23 0.00 0.00 174.94 175.03 2pyi s PHE 711 N 0.09 0.61 0.00 3.97 -0.71 -0.78 -4.96 117.98 116.20 2pyi s PHE 711 Ca 0.32 -0.95 0.00 0.00 -1.04 0.00 0.00 56.93 55.26 2pyi s PHE 711 Cb -0.18 -0.19 0.00 0.00 -1.21 0.00 0.00 43.02 41.44 2pyi s PHE 711 CO 0.17 -0.71 0.00 0.41 -1.34 0.00 0.00 175.22 173.75 2pyi n GLY 712 N -0.22 -0.40 3.73 1.99 0.00 -1.26 -4.21 105.19 104.82 2pyi n GLY 712 Ca -0.05 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 2pyi n GLY 712 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2pyi n MET 713 N -0.44 2.22 -2.20 1.61 2.81 -1.26 -4.90 117.12 114.96 2pyi n MET 713 Ca 0.00 0.78 -0.26 0.00 -1.81 0.00 0.00 57.70 56.42 2pyi n MET 713 Cb 0.00 -2.47 0.07 0.00 -0.71 0.00 0.00 33.22 30.11 2pyi n MET 713 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2pyi s ARG 714 N -2.11 2.21 0.25 0.03 3.00 -1.26 -4.49 118.95 116.58 2pyi s ARG 714 Ca 0.57 -0.24 -0.03 0.00 0.00 0.00 0.00 55.73 56.04 2pyi s ARG 714 Cb -0.51 -2.17 0.52 0.00 0.00 0.00 0.00 34.95 32.79 2pyi s ARG 714 CO 0.61 -1.23 1.71 0.28 0.00 0.00 0.00 175.30 176.66 2pyi h VAL 715 N -0.60 0.58 -0.90 3.52 2.07 -1.82 -0.93 116.25 118.18 2pyi h VAL 715 Ca -0.44 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.02 2pyi h VAL 715 Cb 1.31 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 2pyi h VAL 715 CO 0.60 0.07 0.58 1.05 0.02 0.00 0.00 177.57 179.90 2pyi h GLU 716 N 0.39 0.94 -0.13 1.57 4.11 -1.95 -0.82 114.58 118.70 2pyi h GLU 716 Ca 0.45 -0.06 -0.18 0.00 0.07 0.00 0.00 59.36 59.64 2pyi h GLU 716 Cb 0.74 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 2pyi h GLU 716 CO -0.46 0.62 -0.67 -0.44 0.07 0.00 0.00 179.01 178.13 2pyi h ASP 717 N 0.97 0.60 -0.21 3.06 3.32 -1.56 -1.68 116.42 120.92 2pyi h ASP 717 Ca 0.40 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2pyi h ASP 717 Cb 0.27 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2pyi h ASP 717 CO -0.16 1.11 0.09 0.58 -1.72 0.00 0.00 179.24 179.14 2pyi h VAL 718 N 0.37 1.16 -0.94 -1.35 2.07 -0.78 -1.91 116.25 114.88 2pyi h VAL 718 Ca -0.02 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 2pyi h VAL 718 Cb 1.24 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 2pyi h VAL 718 CO 0.12 0.16 0.57 0.44 0.02 0.00 0.00 177.57 178.88 2pyi h ASP 719 N 0.19 1.12 -0.83 0.57 3.32 -1.11 -0.55 116.42 119.14 2pyi h ASP 719 Ca 0.07 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2pyi h ASP 719 Cb 0.17 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 2pyi h ASP 719 CO -0.01 0.86 0.39 0.03 -1.72 0.00 0.00 179.24 178.79 2pyi h ARG 720 N 1.29 1.20 -0.61 3.56 3.08 -1.18 0.39 114.38 122.11 2pyi h ARG 720 Ca 0.34 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 2pyi h ARG 720 Cb -0.06 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.75 2pyi h ARG 720 CO -0.06 0.93 0.18 -0.07 -1.07 0.00 0.00 179.97 179.88 2pyi h LEU 721 N 1.19 0.89 -0.71 3.04 3.38 -0.83 -2.88 115.31 119.39 2pyi h LEU 721 Ca 0.28 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2pyi h LEU 721 Cb 0.13 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2pyi h LEU 721 CO -0.03 0.87 0.41 0.44 0.09 0.00 0.00 178.44 180.21 2pyi h ASP 722 N 0.87 0.86 -0.94 -0.43 3.32 -0.68 0.30 116.42 119.73 2pyi h ASP 722 Ca 0.20 -0.08 0.08 0.00 0.02 0.00 0.00 57.03 57.24 2pyi h ASP 722 Cb 0.30 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 39.56 2pyi h ASP 722 CO -0.00 0.69 0.61 1.56 -1.72 0.00 0.00 179.24 180.38 2pyi h GLN 723 N 0.97 1.02 0.00 3.56 4.20 -0.78 -2.92 115.11 121.15 2pyi h GLN 723 Ca 0.25 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2pyi h GLN 723 Cb -0.00 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.55 2pyi h GLN 723 CO -0.04 0.67 -0.97 2.89 -0.67 0.00 0.00 178.83 180.71 2pyi n ARG 724 N -4.51 0.87 -0.02 1.46 1.85 -1.10 -5.08 116.66 110.13 2pyi n ARG 724 Ca 0.15 -0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.98 2pyi n ARG 724 Cb 0.23 -1.38 0.00 0.00 -1.05 0.00 0.00 32.46 30.26 2pyi n ARG 724 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2pyi n GLY 725 N 1.43 0.79 3.62 2.89 0.00 0.11 -4.98 105.19 109.05 2pyi n GLY 725 Ca 0.03 -1.27 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 2pyi n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2pyi s TYR 726 N -0.13 3.12 -0.46 1.61 5.04 -1.20 -4.85 117.35 120.49 2pyi s TYR 726 Ca 0.00 0.99 -0.03 0.00 -2.44 0.00 0.00 57.07 55.59 2pyi s TYR 726 Cb 0.00 -3.64 0.12 0.00 0.35 0.00 0.00 41.96 38.79 2pyi s TYR 726 CO 0.00 -0.78 0.26 1.21 -1.34 0.00 0.00 175.55 174.91 2pyi s ASN 727 N 1.75 5.26 0.48 4.32 2.47 -1.26 -4.96 114.94 123.00 2pyi s ASN 727 Ca 0.41 -2.21 0.15 0.00 0.42 0.00 0.00 52.86 51.63 2pyi s ASN 727 Cb -0.12 -1.84 1.12 0.00 -1.45 0.00 0.00 41.25 38.96 2pyi s ASN 727 CO 0.17 -0.51 2.06 0.00 -3.72 0.00 0.00 177.10 175.10 2pyi h ALA 728 N 7.83 1.84 -0.99 1.71 0.00 -1.86 -2.69 119.26 125.10 2pyi h ALA 728 Ca -0.11 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 54.84 2pyi h ALA 728 Cb 1.03 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 2pyi h ALA 728 CO 0.71 0.12 0.63 0.37 0.00 0.00 0.00 179.25 181.08 2pyi h GLN 729 N 0.01 0.92 -0.89 0.00 5.75 -1.91 -2.05 115.11 116.93 2pyi h GLN 729 Ca 0.00 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.50 2pyi h GLN 729 Cb 0.17 -0.21 -0.06 0.00 1.07 0.00 0.00 27.48 28.46 2pyi h GLN 729 CO 0.01 0.61 0.57 1.49 -2.65 0.00 0.00 178.83 178.86 2pyi h GLU 730 N 0.94 1.03 -0.17 1.69 4.81 -1.89 0.21 114.58 121.19 2pyi h GLU 730 Ca 0.50 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.53 2pyi h GLU 730 Cb 0.55 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2pyi h GLU 730 CO -0.27 0.68 -0.42 1.88 -0.73 0.00 0.00 179.01 180.15 2pyi h TYR 731 N 1.06 0.75 -0.55 0.92 -1.99 -1.54 -2.38 116.97 113.24 2pyi h TYR 731 Ca 0.38 -0.29 0.09 0.00 2.00 0.00 0.00 58.73 60.91 2pyi h TYR 731 Cb 0.11 -0.13 -0.07 0.00 2.00 0.00 0.00 36.73 38.64 2pyi h TYR 731 CO -0.02 1.04 0.18 -0.92 -0.00 0.00 0.00 178.16 178.44 2pyi h TYR 732 N 0.25 0.31 0.00 4.88 5.03 -1.05 -1.54 116.97 124.84 2pyi h TYR 732 Ca -0.00 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.28 2pyi h TYR 732 Cb 1.03 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 39.24 2pyi h TYR 732 CO 0.10 0.07 -0.26 -0.44 -1.32 0.00 0.00 178.16 176.30 2pyi h ASP 733 N 0.35 0.00 0.00 -2.11 3.32 -0.51 -3.27 116.42 114.20 2pyi h ASP 733 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 2pyi h ASP 733 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2pyi h ASP 733 CO -0.30 0.26 -1.21 0.54 -1.72 0.00 0.00 179.24 176.81 2pyi n ARG 734 N -3.75 0.59 -3.95 3.56 1.74 -0.90 -4.83 116.66 109.12 2pyi n ARG 734 Ca -0.01 -0.05 -0.30 0.00 -0.77 0.00 0.00 57.85 56.71 2pyi n ARG 734 Cb 0.37 -1.43 -0.15 0.00 -1.02 0.00 0.00 32.46 30.23 2pyi n ARG 734 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2pyi s ILE 735 N -3.00 2.19 0.26 0.55 1.01 -0.61 -4.99 121.20 116.61 2pyi s ILE 735 Ca 0.03 -2.58 -0.01 0.00 0.00 0.00 0.00 60.65 58.09 2pyi s ILE 735 Cb 0.14 -2.59 0.25 0.00 0.01 0.00 0.00 42.46 40.27 2pyi s ILE 735 CO 0.81 -0.69 1.72 -0.65 0.00 0.00 0.00 174.94 176.14 2pyi h PRO 736 N 7.25 0.45 -0.24 2.79 0.11 -1.88 -0.81 132.00 139.67 2pyi h PRO 736 Ca -0.06 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.94 2pyi h PRO 736 Cb 0.97 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 2pyi h PRO 736 CO 0.57 0.30 -0.21 0.93 -0.21 0.00 0.00 178.00 179.37 2pyi h GLU 737 N 0.46 0.44 -0.14 1.05 5.08 -1.95 -0.96 114.58 118.57 2pyi h GLU 737 Ca 0.47 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.62 2pyi h GLU 737 Cb 0.76 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 2pyi h GLU 737 CO -0.44 0.64 -0.12 1.25 -1.00 0.00 0.00 179.01 179.34 2pyi h LEU 738 N 0.40 0.35 -0.64 1.33 5.85 -1.69 -2.99 115.31 117.91 2pyi h LEU 738 Ca 0.06 -0.46 0.12 0.00 0.84 0.00 0.00 57.88 58.45 2pyi h LEU 738 Cb 0.60 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.44 2pyi h LEU 738 CO 0.04 0.74 0.13 -0.09 -0.34 0.00 0.00 178.44 178.92 2pyi h ARG 739 N -0.04 0.25 -0.56 1.25 2.43 -0.94 -1.18 114.38 115.58 2pyi h ARG 739 Ca 0.03 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 2pyi h ARG 739 Cb 0.63 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.08 2pyi h ARG 739 CO 0.03 0.17 0.30 0.37 -1.51 0.00 0.00 179.97 179.33 2pyi h GLN 740 N 0.26 0.56 -0.31 0.20 4.15 -1.16 -1.56 115.11 117.24 2pyi h GLN 740 Ca 0.34 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.67 2pyi h GLN 740 Cb 0.53 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 2pyi h GLN 740 CO -0.44 0.37 -0.02 0.82 -1.93 0.00 0.00 178.83 177.64 2pyi h ILE 741 N 0.58 1.26 -0.69 2.39 2.04 -1.18 -0.91 117.51 121.00 2pyi h ILE 741 Ca 0.25 -1.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.07 2pyi h ILE 741 Cb 0.13 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 2pyi h ILE 741 CO -0.16 0.32 0.27 0.40 0.00 0.00 0.00 178.15 178.99 2pyi h ILE 742 N 0.36 1.24 -0.16 -0.67 1.08 -1.10 -0.73 117.51 117.53 2pyi h ILE 742 Ca 0.09 -0.75 -0.12 0.00 -0.39 0.00 0.00 64.86 63.68 2pyi h ILE 742 Cb 0.48 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 2pyi h ILE 742 CO 0.02 0.30 -0.44 -0.33 -0.69 0.00 0.00 178.15 177.02 2pyi h GLU 743 N 1.00 0.38 -0.55 2.37 4.39 -1.13 -0.19 114.58 120.85 2pyi h GLU 743 Ca 0.23 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 2pyi h GLU 743 Cb 0.20 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2pyi h GLU 743 CO -0.02 0.75 0.24 1.96 -1.16 0.00 0.00 179.01 180.77 2pyi h GLN 744 N 0.31 0.81 -0.47 2.33 4.20 -0.61 -0.75 115.11 120.92 2pyi h GLN 744 Ca 0.02 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.52 2pyi h GLN 744 Cb 0.90 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 2pyi h GLN 744 CO 0.07 0.69 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.84 2pyi h LEU 745 N 0.75 0.83 -0.30 1.46 3.38 -0.89 0.03 115.31 120.56 2pyi h LEU 745 Ca 0.19 -0.32 -0.19 0.00 0.09 0.00 0.00 57.88 57.65 2pyi h LEU 745 Cb 0.17 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2pyi h LEU 745 CO -0.02 0.95 -0.55 0.28 0.09 0.00 0.00 178.44 179.19 2pyi h SER 746 N 0.70 0.98 1.12 -0.43 0.02 -0.95 -3.26 113.55 111.73 2pyi h SER 746 Ca 0.13 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2pyi h SER 746 Cb 0.53 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2pyi h SER 746 CO 0.03 1.33 -0.05 -1.54 -1.14 0.00 0.00 176.83 175.45 2pyi n SER 747 N -4.01 0.32 0.00 3.07 3.41 -0.30 -4.68 113.62 111.44 2pyi n SER 747 Ca -0.04 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 2pyi n SER 747 Cb 0.63 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2pyi n SER 747 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pyi n GLY 748 N 1.43 0.88 0.35 5.00 0.00 -1.09 -4.83 105.19 106.93 2pyi n GLY 748 Ca 0.06 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.95 2pyi n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2pyi h PHE 749 N 0.00 0.69 -0.68 1.61 3.04 -1.26 -0.70 116.94 119.64 2pyi h PHE 749 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2pyi h PHE 749 Cb 0.00 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.28 2pyi h PHE 749 CO 0.00 0.37 0.00 1.19 -2.02 0.00 0.00 178.31 177.85 2pyi n PHE 750 N -4.48 1.16 -2.76 0.41 3.72 -1.25 -4.48 117.46 109.78 2pyi n PHE 750 Ca 0.09 -0.52 -0.09 0.00 -0.05 0.00 0.00 57.45 56.89 2pyi n PHE 750 Cb 0.22 -0.10 0.06 0.00 -0.94 0.00 0.00 39.48 38.72 2pyi n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2pyi n SER 751 N 1.40 -2.54 0.26 4.37 3.41 -0.38 -4.75 113.62 115.38 2pyi n SER 751 Ca 0.24 -3.46 0.08 0.00 -0.26 0.00 0.00 58.87 55.48 2pyi n SER 751 Cb 0.71 1.79 0.64 0.00 -0.26 0.00 0.00 64.21 67.09 2pyi n SER 751 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2pyi h PRO 752 N 3.56 0.00 0.00 4.33 0.13 -1.47 -0.41 132.00 138.14 2pyi h PRO 752 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2pyi h PRO 752 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2pyi h PRO 752 CO 0.25 0.03 0.00 0.87 -0.23 0.00 0.00 178.00 178.92 2pyi h LYS 753 N 0.00 0.00 -2.19 0.86 1.57 -1.96 -3.37 116.57 111.48 2pyi h LYS 753 Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2pyi h LYS 753 Cb 0.05 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 31.99 2pyi h LYS 753 CO 0.00 0.00 -0.98 0.94 -0.57 0.00 0.00 179.45 178.84 2pyi n GLN 754 N -2.99 0.32 -0.12 3.15 7.27 -0.22 -5.03 117.38 119.77 2pyi n GLN 754 Ca 0.04 -3.11 0.20 0.00 0.07 0.00 0.00 57.00 54.20 2pyi n GLN 754 Cb 0.50 -1.56 0.61 0.00 2.41 0.00 0.00 30.24 32.20 2pyi n GLN 754 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 2pyi h PRO 755 N 5.22 0.19 -0.41 3.69 0.11 -1.59 -0.43 132.00 138.77 2pyi h PRO 755 Ca 0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2pyi h PRO 755 Cb 0.91 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2pyi h PRO 755 CO 0.37 0.12 0.00 -0.40 -0.21 0.00 0.00 178.00 177.89 2pyi n ASP 756 N -4.41 2.36 -0.30 -2.05 3.85 -1.26 -3.13 116.55 111.61 2pyi n ASP 756 Ca 0.14 -1.96 0.09 0.00 -0.71 0.00 0.00 54.79 52.35 2pyi n ASP 756 Cb 0.65 -0.27 0.25 0.00 -1.35 0.00 0.00 41.12 40.40 2pyi n ASP 756 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 2pyi h LEU 757 N 2.67 0.47 -3.59 -2.12 5.85 -1.39 -2.10 115.31 115.10 2pyi h LEU 757 Ca 0.00 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 2pyi h LEU 757 Cb 0.61 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 2pyi h LEU 757 CO 0.00 0.16 0.06 0.49 -0.34 0.00 0.00 178.44 178.81 2pyi n PHE 758 N -4.92 2.10 -0.28 1.25 3.01 -1.26 -4.54 117.46 112.81 2pyi n PHE 758 Ca 0.18 -0.85 0.07 0.00 1.01 0.00 0.00 57.45 57.87 2pyi n PHE 758 Cb 0.50 -0.54 0.30 0.00 -0.01 0.00 0.00 39.48 39.72 2pyi n PHE 758 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 2pyi h LYS 759 N 3.54 0.85 -0.53 -1.08 2.10 -1.67 -1.76 116.57 118.03 2pyi h LYS 759 Ca 0.06 -0.05 -0.12 0.00 -2.00 0.00 0.00 60.65 58.54 2pyi h LYS 759 Cb 2.03 -0.19 -0.02 0.00 -0.90 0.00 0.00 32.23 33.16 2pyi h LYS 759 CO 0.53 0.56 -0.14 -0.44 -2.00 0.00 0.00 179.45 177.96 2pyi h ASP 760 N 0.87 1.04 -0.22 7.07 3.45 -1.83 0.27 116.42 127.06 2pyi h ASP 760 Ca 0.41 -0.36 -0.01 0.00 0.43 0.00 0.00 57.03 57.50 2pyi h ASP 760 Cb 0.42 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 2pyi h ASP 760 CO -0.18 1.16 0.09 0.40 -1.57 0.00 0.00 179.24 179.15 2pyi h ILE 761 N 0.90 1.16 -0.04 0.35 2.04 -1.75 -1.36 117.51 118.80 2pyi h ILE 761 Ca 0.13 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2pyi h ILE 761 Cb 0.71 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 2pyi h ILE 761 CO 0.05 0.16 0.02 0.58 0.00 0.00 0.00 178.15 178.96 2pyi h VAL 762 N 0.21 0.99 -0.61 1.67 2.07 -1.21 -0.81 116.25 118.56 2pyi h VAL 762 Ca 0.07 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.66 2pyi h VAL 762 Cb 0.16 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 2pyi h VAL 762 CO -0.01 0.01 0.28 -1.13 0.02 0.00 0.00 177.57 176.74 2pyi h ASN 763 N 0.04 0.35 -0.20 0.57 -1.24 -0.89 0.75 115.58 114.97 2pyi h ASN 763 Ca 0.02 0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.06 2pyi h ASN 763 Cb 0.01 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 2pyi h ASN 763 CO -0.02 0.22 0.05 -0.03 -1.29 0.00 0.00 177.43 176.37 2pyi h MET 764 N 0.51 0.31 -0.75 6.67 4.05 -1.00 0.29 114.93 125.02 2pyi h MET 764 Ca 0.29 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.63 2pyi h MET 764 Cb 0.28 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.01 2pyi h MET 764 CO -0.24 0.44 0.43 -0.07 0.23 0.00 0.00 176.91 177.70 2pyi h LEU 765 N 0.13 0.92 -0.28 3.39 3.38 -0.82 0.16 115.31 122.19 2pyi h LEU 765 Ca 0.06 -0.08 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 2pyi h LEU 765 Cb 0.27 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2pyi h LEU 765 CO 0.00 0.73 -0.86 0.24 0.09 0.00 0.00 178.44 178.64 2pyi h MET 766 N 1.03 0.32 0.00 1.13 2.86 -0.75 -3.41 114.93 116.11 2pyi h MET 766 Ca 0.27 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2pyi h MET 766 Cb -0.00 0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2pyi h MET 766 CO -0.05 1.01 -0.45 0.72 1.06 0.00 0.00 176.91 179.20 2pyi n HIS 767 N -3.74 0.00 -2.81 -0.22 8.25 0.08 -4.30 115.22 112.48 2pyi n HIS 767 Ca -0.05 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.40 2pyi n HIS 767 Cb 0.79 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.95 2pyi n HIS 767 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2pyi n HIS 768 N -0.68 1.31 -3.14 4.41 8.25 0.37 -5.02 115.22 120.73 2pyi n HIS 768 Ca 0.00 -2.14 -0.44 0.00 -0.26 0.00 0.00 57.72 54.87 2pyi n HIS 768 Cb 0.00 -0.23 -0.05 0.00 1.12 0.00 0.00 29.99 30.83 2pyi n HIS 768 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2pyi s ASP 769 N -3.80 6.19 0.45 0.41 3.68 -0.08 -4.82 116.67 118.70 2pyi s ASP 769 Ca 0.28 -1.32 0.31 0.00 2.13 0.00 0.00 52.55 53.94 2pyi s ASP 769 Cb 0.32 -2.29 1.39 0.00 -1.45 0.00 0.00 42.92 40.90 2pyi s ASP 769 CO -0.04 -1.04 1.92 0.03 0.13 0.00 0.00 175.17 176.18 2pyi h ARG 770 N 9.11 0.00 -0.12 4.34 3.08 -1.97 -3.25 114.38 125.57 2pyi h ARG 770 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2pyi h ARG 770 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2pyi h ARG 770 CO 1.06 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 181.15 2pyi n PHE 771 N -2.72 0.16 -3.68 3.04 3.72 -1.26 -5.02 117.46 111.69 2pyi n PHE 771 Ca 0.00 -0.37 -0.22 0.00 -0.05 0.00 0.00 57.45 56.81 2pyi n PHE 771 Cb 0.21 -0.03 0.04 0.00 -0.94 0.00 0.00 39.48 38.77 2pyi n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2pyi n LYS 772 N 0.05 -5.46 -0.02 -1.08 5.02 -1.23 -4.72 118.16 110.72 2pyi n LYS 772 Ca 0.05 0.67 -0.09 0.00 -2.02 0.00 0.00 58.31 56.92 2pyi n LYS 772 Cb 0.28 -5.38 -0.03 0.00 -0.02 0.00 0.00 35.03 29.88 2pyi n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2pyi h VAL 773 N -1.96 0.64 -0.52 -0.18 2.07 -1.94 -2.37 116.25 112.00 2pyi h VAL 773 Ca -0.60 0.00 0.06 0.00 0.82 0.00 0.00 66.70 66.98 2pyi h VAL 773 Cb 1.36 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 2pyi h VAL 773 CO 0.57 0.00 0.35 -0.26 0.02 0.00 0.00 177.57 178.25 2pyi h PHE 774 N -0.13 0.47 0.00 1.57 0.05 -1.91 -2.51 116.94 114.48 2pyi h PHE 774 Ca 0.10 0.01 -0.02 0.00 3.82 0.00 0.00 57.97 61.88 2pyi h PHE 774 Cb 0.28 -0.15 -0.00 0.00 2.00 0.00 0.00 35.95 38.08 2pyi h PHE 774 CO -0.27 0.25 -0.12 0.00 -0.18 0.00 0.00 178.31 178.00 2pyi h ALA 775 N 1.72 1.16 -0.11 2.45 0.00 -1.80 -2.61 119.26 120.06 2pyi h ALA 775 Ca 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2pyi h ALA 775 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2pyi h ALA 775 CO -0.06 0.15 0.00 -0.25 0.00 0.00 0.00 179.25 179.09 2pyi n ASP 776 N -3.46 2.46 0.13 0.00 10.43 -0.96 -4.72 116.55 120.42 2pyi n ASP 776 Ca -0.01 -1.70 -0.13 0.00 2.57 0.00 0.00 54.79 55.52 2pyi n ASP 776 Cb 0.28 -0.06 -0.06 0.00 1.84 0.00 0.00 41.12 43.11 2pyi n ASP 776 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 2pyi h TYR 777 N 2.93 -0.46 -0.13 1.24 5.03 -1.29 -0.69 116.97 123.59 2pyi h TYR 777 Ca 0.00 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 2pyi h TYR 777 Cb 0.67 0.18 -0.01 0.00 1.55 0.00 0.00 36.73 39.12 2pyi h TYR 777 CO 0.06 -0.26 0.05 0.93 -1.32 0.00 0.00 178.16 177.62 2pyi h GLU 778 N -0.37 0.20 -0.67 1.82 5.08 -1.85 -0.98 114.58 117.81 2pyi h GLU 778 Ca 0.01 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2pyi h GLU 778 Cb 0.36 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 2pyi h GLU 778 CO -0.06 0.31 0.26 0.93 -1.00 0.00 0.00 179.01 179.46 2pyi h GLU 779 N 0.04 0.98 -0.17 2.33 5.08 -1.87 -1.66 114.58 119.31 2pyi h GLU 779 Ca 0.04 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2pyi h GLU 779 Cb 0.19 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2pyi h GLU 779 CO -0.00 0.80 0.09 -0.92 -1.00 0.00 0.00 179.01 177.98 2pyi h TYR 780 N 0.96 0.24 -0.53 4.33 3.20 -0.92 0.04 116.97 124.29 2pyi h TYR 780 Ca 0.22 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 2pyi h TYR 780 Cb 0.19 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 2pyi h TYR 780 CO 0.02 0.24 0.23 0.28 -1.64 0.00 0.00 178.16 177.28 2pyi h VAL 781 N 0.17 1.21 -0.58 1.81 2.07 -0.96 0.05 116.25 120.02 2pyi h VAL 781 Ca 0.06 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 2pyi h VAL 781 Cb 0.09 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2pyi h VAL 781 CO -0.01 0.24 0.18 0.11 0.02 0.00 0.00 177.57 178.12 2pyi h LYS 782 N 0.71 0.91 -0.75 1.57 1.57 -1.26 -2.00 116.57 117.33 2pyi h LYS 782 Ca 0.18 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2pyi h LYS 782 Cb 0.17 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 2pyi h LYS 782 CO -0.02 0.82 0.32 0.00 -0.57 0.00 0.00 179.45 180.00 2pyi h GLN 784 N 1.07 0.49 -0.92 0.00 1.08 -0.73 -1.96 115.11 114.14 2pyi h GLN 784 Ca 0.25 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 2pyi h GLN 784 Cb 0.17 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.49 2pyi h GLN 784 CO -0.03 0.55 0.54 0.93 -0.95 0.00 0.00 178.83 179.87 2pyi h GLU 785 N 0.47 1.25 -0.17 1.46 5.08 -0.82 -1.84 114.58 120.01 2pyi h GLU 785 Ca 0.10 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 2pyi h GLU 785 Cb 0.36 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2pyi h GLU 785 CO 0.01 0.89 -0.40 0.00 -1.00 0.00 0.00 179.01 178.52 2pyi h ARG 786 N 1.27 0.38 -0.11 2.33 3.08 -1.11 -0.08 114.38 120.13 2pyi h ARG 786 Ca 0.33 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 60.22 2pyi h ARG 786 Cb -0.03 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2pyi h ARG 786 CO -0.06 0.72 -0.04 0.28 -1.07 0.00 0.00 179.97 179.80 2pyi h VAL 787 N 0.32 0.85 -0.72 2.04 2.07 -0.99 -1.62 116.25 118.20 2pyi h VAL 787 Ca 0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 2pyi h VAL 787 Cb 0.84 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2pyi h VAL 787 CO 0.07 0.00 0.38 0.28 0.02 0.00 0.00 177.57 178.31 2pyi h SER 788 N -0.03 0.91 -0.57 0.57 0.02 -1.00 -1.40 113.55 112.05 2pyi h SER 788 Ca 0.06 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 60.94 2pyi h SER 788 Cb 0.12 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 2pyi h SER 788 CO -0.13 0.76 0.31 0.00 -1.14 0.00 0.00 176.83 176.63 2pyi h ALA 789 N 1.19 0.74 -0.30 3.77 0.00 -0.82 -2.33 119.26 121.51 2pyi h ALA 789 Ca 0.25 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 2pyi h ALA 789 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2pyi h ALA 789 CO -0.04 -0.01 -0.41 1.25 0.00 0.00 0.00 179.25 180.05 2pyi h LEU 790 N 0.60 0.77 -1.78 0.00 5.85 -1.03 -3.13 115.31 116.60 2pyi h LEU 790 Ca 0.25 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 2pyi h LEU 790 Cb 0.11 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 2pyi h LEU 790 CO -0.15 1.08 -0.11 0.22 -0.34 0.00 0.00 178.44 179.14 2pyi h TYR 791 N 0.59 0.00 0.00 1.25 3.20 -0.87 -0.66 116.97 120.49 2pyi h TYR 791 Ca 0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2pyi h TYR 791 Cb 0.95 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.22 2pyi h TYR 791 CO 0.05 0.11 0.00 0.87 -1.64 0.00 0.00 178.16 177.55 2pyi h LYS 792 N 0.00 0.00 -3.42 1.82 1.57 -1.37 -3.32 116.57 111.85 2pyi h LYS 792 Ca -0.00 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.09 2pyi h LYS 792 Cb 0.20 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 32.15 2pyi h LYS 792 CO 0.01 0.00 -0.34 1.21 -0.57 0.00 0.00 179.45 179.76 2pyi s ASN 793 N -4.77 5.29 0.25 0.86 3.84 -0.25 -4.98 114.94 115.17 2pyi s ASN 793 Ca -0.03 -3.22 -0.04 0.00 0.21 0.00 0.00 52.86 49.78 2pyi s ASN 793 Cb 0.10 -1.82 0.47 0.00 -0.55 0.00 0.00 41.25 39.45 2pyi s ASN 793 CO 0.35 -0.27 1.71 -0.65 -2.79 0.00 0.00 177.10 175.46 2pyi h PRO 794 N 6.51 0.38 -0.29 0.43 0.11 -1.77 -0.25 132.00 137.13 2pyi h PRO 794 Ca 0.04 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2pyi h PRO 794 Cb 0.89 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 2pyi h PRO 794 CO 0.75 0.25 0.14 -0.09 -0.21 0.00 0.00 178.00 178.84 2pyi h ARG 795 N 0.39 0.41 -0.04 1.05 2.43 -1.94 -1.45 114.38 115.24 2pyi h ARG 795 Ca 0.42 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.37 2pyi h ARG 795 Cb 0.67 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2pyi h ARG 795 CO -0.44 0.38 -0.72 0.93 -1.51 0.00 0.00 179.97 178.62 2pyi h GLU 796 N 0.33 0.21 0.20 0.20 4.39 -1.74 -0.62 114.58 117.55 2pyi h GLU 796 Ca 0.10 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 59.63 2pyi h GLU 796 Cb 0.10 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 2pyi h GLU 796 CO -0.01 0.84 -0.24 2.35 -1.16 0.00 0.00 179.01 180.78 2pyi h TRP 797 N 0.14 -0.65 -0.69 4.33 2.91 -0.94 -1.72 115.95 119.32 2pyi h TRP 797 Ca -0.02 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 59.97 2pyi h TRP 797 Cb 1.27 0.26 -0.03 0.00 -0.51 0.00 0.00 29.16 30.15 2pyi h TRP 797 CO 0.02 -0.35 0.29 1.15 -1.03 0.00 0.00 178.44 178.52 2pyi h THR 798 N -0.49 1.23 -0.76 2.65 2.02 -1.10 -0.81 112.91 115.66 2pyi h THR 798 Ca 0.01 -0.71 -0.06 0.00 0.77 0.00 0.00 66.41 66.42 2pyi h THR 798 Cb 0.48 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 2pyi h THR 798 CO -0.09 0.29 0.25 0.03 0.37 0.00 0.00 175.52 176.37 2pyi h ARG 799 N 0.99 1.16 -0.26 6.66 3.08 -1.02 -0.30 114.38 124.70 2pyi h ARG 799 Ca 0.24 -0.24 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 2pyi h ARG 799 Cb 0.16 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2pyi h ARG 799 CO -0.02 0.98 -0.28 1.98 -1.07 0.00 0.00 179.97 181.55 2pyi h MET 800 N 1.12 0.51 -0.12 0.04 4.05 -0.72 -2.19 114.93 117.62 2pyi h MET 800 Ca 0.25 -0.21 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 2pyi h MET 800 Cb 0.29 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.06 2pyi h MET 800 CO -0.01 0.75 0.07 0.28 0.23 0.00 0.00 176.91 178.23 2pyi h VAL 801 N 0.45 1.06 -0.76 -5.77 2.07 -0.64 -1.76 116.25 110.90 2pyi h VAL 801 Ca 0.06 -0.16 0.11 0.00 0.82 0.00 0.00 66.70 67.53 2pyi h VAL 801 Cb 0.72 0.95 -0.08 0.00 -1.52 0.00 0.00 31.29 31.36 2pyi h VAL 801 CO 0.06 0.06 0.38 0.40 0.02 0.00 0.00 177.57 178.48 2pyi h ILE 802 N 0.13 0.81 0.00 4.57 2.04 -0.85 0.84 117.51 125.05 2pyi h ILE 802 Ca 0.04 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 2pyi h ILE 802 Cb 0.03 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.25 2pyi h ILE 802 CO -0.01 0.11 -0.13 0.03 0.00 0.00 0.00 178.15 178.16 2pyi h ARG 803 N 0.61 0.00 0.06 2.37 3.08 -1.01 -0.70 114.38 118.79 2pyi h ARG 803 Ca 0.39 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.43 2pyi h ARG 803 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2pyi h ARG 803 CO -0.30 0.13 -0.03 -0.91 -1.07 0.00 0.00 179.97 177.79 2pyi h ASN 804 N 0.00 -0.06 -0.48 7.04 2.35 -0.09 -3.26 115.58 121.07 2pyi h ASN 804 Ca -0.00 -0.53 0.07 0.00 -0.55 0.00 0.00 56.30 55.29 2pyi h ASN 804 Cb 0.26 0.02 -0.06 0.00 0.05 0.00 0.00 38.32 38.59 2pyi h ASN 804 CO 0.02 0.65 0.15 0.40 -1.65 0.00 0.00 177.43 176.99 2pyi h ILE 805 N -0.93 0.80 0.00 2.81 2.04 -0.83 -2.08 117.51 119.33 2pyi h ILE 805 Ca -0.01 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 2pyi h ILE 805 Cb 0.59 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2pyi h ILE 805 CO 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 178.15 178.21 2pyi h ALA 806 N 1.34 1.18 -0.16 1.87 0.00 -1.27 -2.45 119.26 119.76 2pyi h ALA 806 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2pyi h ALA 806 Cb 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2pyi h ALA 806 CO -0.26 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.25 2pyi n THR 807 N -3.35 1.63 1.36 0.00 -2.24 -0.81 -1.61 114.28 109.27 2pyi n THR 807 Ca -0.03 -1.60 0.14 0.00 -2.27 0.00 0.00 64.05 60.29 2pyi n THR 807 Cb 0.09 0.07 0.63 0.00 -2.10 0.00 0.00 70.33 69.02 2pyi n THR 807 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2pyi n SER 808 N -0.51 0.34 -0.31 3.42 3.41 -0.92 -4.38 113.62 114.67 2pyi n SER 808 Ca 0.13 -0.39 0.10 0.00 -0.26 0.00 0.00 58.87 58.46 2pyi n SER 808 Cb 0.59 -0.13 0.27 0.00 -0.26 0.00 0.00 64.21 64.69 2pyi n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2pyi h GLY 809 N 4.98 1.53 0.85 5.00 0.00 -1.79 -0.75 103.07 112.89 2pyi h GLY 809 Ca 0.00 -0.26 0.15 0.00 0.00 0.00 0.00 47.33 47.22 2pyi h GLY 809 CO 0.00 -0.11 0.43 1.70 0.00 0.00 0.00 176.54 178.56 2pyi h LYS 810 N 0.60 0.00 -0.64 4.80 3.64 -1.88 -2.57 116.57 120.53 2pyi h LYS 810 Ca 0.52 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 2pyi h LYS 810 Cb 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2pyi h LYS 810 CO -0.41 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 177.96 2pyi n PHE 811 N -4.09 1.05 -2.30 1.91 3.01 -0.29 -4.72 117.46 112.03 2pyi n PHE 811 Ca 0.10 -0.40 -0.41 0.00 1.01 0.00 0.00 57.45 57.75 2pyi n PHE 811 Cb 0.64 -0.23 -0.03 0.00 -0.01 0.00 0.00 39.48 39.86 2pyi n PHE 811 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2pyi s SER 812 N -0.67 6.99 0.34 4.37 0.15 -0.97 -0.55 113.70 123.36 2pyi s SER 812 Ca 0.33 2.31 0.26 0.00 0.70 0.00 0.00 55.95 59.54 2pyi s SER 812 Cb 0.22 -2.61 1.19 0.00 -1.71 0.00 0.00 66.02 63.12 2pyi s SER 812 CO 0.14 -0.46 1.78 0.77 1.20 0.00 0.00 173.24 176.67 2pyi h SER 813 N 5.41 0.00 -0.62 5.45 4.64 -1.25 -1.94 113.55 125.23 2pyi h SER 813 Ca -0.44 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 2pyi h SER 813 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 2pyi h SER 813 CO 0.76 0.00 0.35 0.44 -0.87 0.00 0.00 176.83 177.51 2pyi h ASP 814 N 0.00 0.78 -0.11 4.97 3.45 -1.91 0.10 116.42 123.70 2pyi h ASP 814 Ca 0.00 -0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.36 2pyi h ASP 814 Cb 0.25 -0.20 -0.00 0.00 -0.56 0.00 0.00 39.33 38.82 2pyi h ASP 814 CO 0.00 0.64 0.04 -0.09 -1.57 0.00 0.00 179.24 178.26 2pyi h ARG 815 N 0.85 0.17 -0.07 3.56 1.12 -1.66 -0.00 114.38 118.34 2pyi h ARG 815 Ca 0.22 -0.03 0.03 0.00 -1.11 0.00 0.00 59.98 59.09 2pyi h ARG 815 Cb 0.03 -0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 29.93 2pyi h ARG 815 CO -0.04 0.28 -0.16 1.15 -3.11 0.00 0.00 179.97 178.09 2pyi h THR 816 N 0.02 0.58 -0.65 0.20 2.02 -1.41 -1.94 112.91 111.73 2pyi h THR 816 Ca 0.04 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.14 2pyi h THR 816 Cb 0.18 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 2pyi h THR 816 CO -0.00 0.00 0.09 0.40 0.37 0.00 0.00 175.52 176.38 2pyi h ILE 817 N -0.24 1.26 -0.90 3.11 1.08 -0.72 -1.34 117.51 119.77 2pyi h ILE 817 Ca 0.08 -1.04 0.09 0.00 -0.39 0.00 0.00 64.86 63.59 2pyi h ILE 817 Cb 0.34 0.67 -0.06 0.00 -3.07 0.00 0.00 36.82 34.70 2pyi h ILE 817 CO -0.21 0.39 0.58 0.00 -0.69 0.00 0.00 178.15 178.22 2pyi h ALA 818 N 1.08 1.58 -0.16 1.87 0.00 -0.79 0.76 119.26 123.62 2pyi h ALA 818 Ca 0.20 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2pyi h ALA 818 Cb 0.45 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2pyi h ALA 818 CO 0.01 0.25 -0.07 1.96 0.00 0.00 0.00 179.25 181.40 2pyi h GLN 819 N 0.94 0.34 -0.59 0.00 4.20 -0.67 -1.85 115.11 117.47 2pyi h GLN 819 Ca 0.41 -0.14 0.10 0.00 0.06 0.00 0.00 58.65 59.07 2pyi h GLN 819 Cb 0.33 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.02 2pyi h GLN 819 CO -0.17 0.65 0.18 1.88 -0.67 0.00 0.00 178.83 180.70 2pyi h TYR 820 N 0.01 0.31 0.10 2.96 0.05 -0.74 0.89 116.97 120.56 2pyi h TYR 820 Ca 0.04 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 2pyi h TYR 820 Cb 0.54 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.24 2pyi h TYR 820 CO 0.06 0.05 -0.05 0.00 -1.05 0.00 0.00 178.16 177.17 2pyi h ALA 821 N 1.43 -0.14 0.05 3.88 0.00 -0.76 -0.05 119.26 123.68 2pyi h ALA 821 Ca 0.30 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.92 2pyi h ALA 821 Cb 0.41 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.25 2pyi h ALA 821 CO -0.34 -0.55 -1.06 0.00 0.00 0.00 0.00 179.25 177.30 2pyi h ARG 822 N -0.18 0.39 0.00 0.00 3.08 -1.19 0.24 114.38 116.72 2pyi h ARG 822 Ca -0.01 -0.49 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 2pyi h ARG 822 Cb 0.14 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 2pyi h ARG 822 CO 0.02 1.16 -1.90 0.39 -1.07 0.00 0.00 179.97 178.58 2pyi n GLU 823 N -3.69 0.65 0.02 0.04 1.02 0.29 -4.37 120.64 114.61 2pyi n GLU 823 Ca -0.08 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 2pyi n GLU 823 Cb 0.90 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 2pyi n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2pyi n ILE 824 N -2.33 0.36 0.20 -3.67 5.41 -0.47 -4.86 119.36 114.00 2pyi n ILE 824 Ca -0.05 0.12 0.09 0.00 1.00 0.00 0.00 62.75 63.92 2pyi n ILE 824 Cb 0.59 -1.45 0.14 0.00 -0.71 0.00 0.00 39.64 38.21 2pyi n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 2pyi h TRP 825 N 0.00 0.00 -2.89 1.39 6.55 -1.03 -3.48 115.95 116.49 2pyi h TRP 825 Ca 0.00 0.00 -0.21 0.00 0.95 0.00 0.00 58.89 59.63 2pyi h TRP 825 Cb 0.63 0.00 0.05 0.00 -0.86 0.00 0.00 29.16 28.97 2pyi h TRP 825 CO 0.00 0.15 -0.33 0.41 -1.05 0.00 0.00 178.44 177.63 2pyi n GLY 826 N 1.11 0.10 3.24 1.49 0.00 0.60 -4.96 105.19 106.77 2pyi n GLY 826 Ca 0.03 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 2pyi n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pyi s VAL 827 N -2.97 1.57 -0.28 1.61 -7.23 0.22 -5.00 120.40 108.33 2pyi s VAL 827 Ca 0.21 -1.26 -0.14 0.00 -1.81 0.00 0.00 61.98 58.98 2pyi s VAL 827 Cb -0.09 -1.39 -0.04 0.00 0.56 0.00 0.00 36.38 35.42 2pyi s VAL 827 CO 0.26 0.09 0.34 -0.70 -0.31 0.00 0.00 175.10 174.78 2pyi s GLU 828 N -1.38 3.96 0.67 4.82 2.56 -1.26 -3.24 118.70 124.83 2pyi s GLU 828 Ca 0.06 -0.06 -0.15 0.00 0.00 0.00 0.00 54.97 54.81 2pyi s GLU 828 Cb -0.09 -3.67 0.01 0.00 2.00 0.00 0.00 34.13 32.37 2pyi s GLU 828 CO 0.02 -0.29 1.14 -1.25 -0.56 0.00 0.00 175.26 174.32 2pyi s PRO 829 N 2.02 2.66 -0.16 4.30 0.04 -1.26 -4.97 135.00 137.62 2pyi s PRO 829 Ca 0.13 1.52 -0.08 0.00 0.04 0.00 0.00 61.00 62.62 2pyi s PRO 829 Cb -0.16 -1.92 0.06 0.00 0.04 0.00 0.00 34.50 32.52 2pyi s PRO 829 CO 0.10 -1.38 0.38 0.45 0.04 0.00 0.00 177.00 176.58 2pyi s SER 830 N -2.34 -0.35 -0.00 6.66 0.15 0.47 -5.01 113.70 113.27 2pyi s SER 830 Ca 0.70 0.84 0.08 0.00 0.70 0.00 0.00 55.95 58.26 2pyi s SER 830 Cb -0.23 0.84 0.23 0.00 -1.71 0.00 0.00 66.02 65.14 2pyi s SER 830 CO 0.41 -0.20 1.18 0.54 1.20 0.00 0.00 173.24 176.37 2pyi n ARG 831 N 4.60 1.61 -2.05 5.44 5.12 -1.26 -2.96 116.66 127.15 2pyi n ARG 831 Ca -0.19 -0.92 -0.42 0.00 -1.93 0.00 0.00 57.85 54.39 2pyi n ARG 831 Cb 0.53 -1.21 -0.03 0.00 -1.16 0.00 0.00 32.46 30.59 2pyi n ARG 831 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2pyi s GLN 832 N -1.66 4.28 0.49 5.56 2.00 -1.26 -4.94 119.66 124.12 2pyi s GLN 832 Ca 0.17 2.23 -0.22 0.00 -2.00 0.00 0.00 55.36 55.55 2pyi s GLN 832 Cb 0.09 -3.17 -0.07 0.00 0.80 0.00 0.00 33.01 30.66 2pyi s GLN 832 CO 0.11 -0.47 1.13 0.50 -0.50 0.00 0.00 175.29 176.06 2pyi s ARG 833 N 0.57 3.66 0.23 1.67 3.52 -1.26 -4.94 118.95 122.40 2pyi s ARG 833 Ca 0.64 1.65 -0.04 0.00 -0.13 0.00 0.00 55.73 57.85 2pyi s ARG 833 Cb -0.40 -2.24 -0.05 0.00 -1.56 0.00 0.00 34.95 30.69 2pyi s ARG 833 CO 0.35 -0.60 0.47 -0.51 -0.81 0.00 0.00 175.30 174.20 2pyi s LEU 834 N -3.31 4.16 0.00 -0.88 1.02 0.27 -5.01 118.68 114.93 2pyi s LEU 834 Ca 0.67 0.61 0.00 0.00 0.02 0.00 0.00 54.13 55.42 2pyi s LEU 834 Cb -0.25 -3.39 0.00 0.00 0.02 0.00 0.00 46.19 42.57 2pyi s LEU 834 CO 0.30 -0.09 0.38 -2.65 0.02 0.00 0.00 176.35 174.31