#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fec h ILE 47 N 0.00 1.25 -0.87 -1.33 1.08 -2.05 -1.81 117.51 113.77 3fec h ILE 47 Ca 0.00 -0.82 0.01 0.00 -0.39 0.00 0.00 64.86 63.66 3fec h ILE 47 Cb 0.00 0.56 -0.04 0.00 -3.07 0.00 0.00 36.82 34.27 3fec h ILE 47 CO 0.00 0.32 0.57 -0.09 -0.69 0.00 0.00 178.15 178.26 3fec h ARG 48 N 0.93 1.16 -0.51 2.37 2.43 -2.00 0.85 114.38 119.61 3fec h ARG 48 Ca 0.21 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 3fec h ARG 48 Cb 0.27 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 3fec h ARG 48 CO -0.01 0.77 0.04 2.35 -1.51 0.00 0.00 179.97 181.61 3fec h TRP 49 N 1.19 0.88 -0.64 2.20 7.01 -1.88 -1.49 115.95 123.22 3fec h TRP 49 Ca 0.32 -0.11 -0.08 0.00 2.11 0.00 0.00 58.89 61.13 3fec h TRP 49 Cb -0.13 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 26.66 3fec h TRP 49 CO -0.01 0.79 0.09 0.87 -2.79 0.00 0.00 178.44 177.39 3fec h LYS 50 N 0.78 1.06 0.02 2.65 1.57 -0.58 0.12 116.57 122.19 3fec h LYS 50 Ca 0.16 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3fec h LYS 50 Cb 0.42 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3fec h LYS 50 CO 0.01 0.98 -0.01 1.25 -0.57 0.00 0.00 179.45 181.11 3fec h LEU 51 N 0.99 -0.02 -0.24 2.94 5.85 -0.54 -2.24 115.31 122.04 3fec h LEU 51 Ca 0.19 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 3fec h LEU 51 Cb 0.44 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3fec h LEU 51 CO 0.01 -0.00 -0.11 0.58 -0.34 0.00 0.00 178.44 178.58 3fec h VAL 52 N -0.05 1.30 0.00 1.05 2.07 -1.14 -3.25 116.25 116.23 3fec h VAL 52 Ca -0.00 -1.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.30 3fec h VAL 52 Cb 0.04 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3fec h VAL 52 CO 0.00 0.37 -0.18 -1.28 0.02 0.00 0.00 177.57 176.51 3fec h SER 53 N 0.23 0.00 0.35 0.57 0.87 -0.81 -2.81 113.55 111.95 3fec h SER 53 Ca 0.06 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.52 3fec h SER 53 Cb 0.61 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 3fec h SER 53 CO 0.03 0.18 -0.41 -0.08 -0.53 0.00 0.00 176.83 176.02 3fec h GLU 54 N 0.00 0.09 -6.92 2.24 4.57 -1.44 -3.44 114.58 109.69 3fec h GLU 54 Ca -0.00 -0.04 -0.52 0.00 -1.18 0.00 0.00 59.36 57.62 3fec h GLU 54 Cb 0.80 -0.00 0.06 0.00 -0.16 0.00 0.00 28.75 29.46 3fec h GLU 54 CO 0.02 0.49 0.57 -1.64 -1.18 0.00 0.00 179.01 177.28 3fec s MET 55 N -4.11 4.15 -0.03 1.92 -1.94 -1.06 -4.99 119.30 113.24 3fec s MET 55 Ca -0.03 2.05 0.03 0.00 -1.71 0.00 0.00 55.69 56.02 3fec s MET 55 Cb 0.14 -2.85 0.00 0.00 2.01 0.00 0.00 34.83 34.13 3fec s MET 55 CO 0.75 -0.30 -0.10 0.15 -0.01 0.00 0.00 175.02 175.51 3fec s LYS 56 N -2.07 1.03 0.23 2.03 -0.14 -1.26 -5.04 119.74 114.51 3fec s LYS 56 Ca 0.54 -0.32 -0.07 0.00 -1.36 0.00 0.00 55.97 54.76 3fec s LYS 56 Cb -0.36 -0.95 0.35 0.00 -1.68 0.00 0.00 37.83 35.20 3fec s LYS 56 CO 0.46 0.12 1.77 0.00 -0.76 0.00 0.00 175.35 176.94 3fec h ALA 57 N 6.40 0.98 -0.24 5.17 0.00 -1.89 -1.73 119.26 127.94 3fec h ALA 57 Ca -0.33 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3fec h ALA 57 Cb 1.17 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3fec h ALA 57 CO 0.49 -0.09 -0.02 1.49 0.00 0.00 0.00 179.25 181.11 3fec h GLU 58 N 0.55 0.36 -0.33 0.00 4.57 -1.91 -1.15 114.58 116.67 3fec h GLU 58 Ca 0.36 -0.07 -0.10 0.00 -1.18 0.00 0.00 59.36 58.37 3fec h GLU 58 Cb 0.42 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 3fec h GLU 58 CO -0.30 0.41 -0.19 -0.91 -1.18 0.00 0.00 179.01 176.85 3fec h ASN 59 N 0.35 0.74 -0.81 1.04 2.35 -1.75 -1.25 115.58 116.24 3fec h ASN 59 Ca 0.08 -0.42 0.04 0.00 -0.55 0.00 0.00 56.30 55.46 3fec h ASN 59 Cb 0.28 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.39 3fec h ASN 59 CO 0.01 1.00 0.51 0.40 -1.65 0.00 0.00 177.43 177.70 3fec h ILE 60 N 0.49 1.08 -0.06 2.81 2.04 -0.91 -0.54 117.51 122.42 3fec h ILE 60 Ca 0.07 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 3fec h ILE 60 Cb 0.73 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3fec h ILE 60 CO 0.05 0.18 0.04 0.50 0.00 0.00 0.00 178.15 178.92 3fec h LYS 61 N 0.97 0.09 -0.65 2.37 3.64 -1.11 1.00 116.57 122.87 3fec h LYS 61 Ca 0.34 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.68 3fec h LYS 61 Cb 0.08 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 3fec h LYS 61 CO -0.14 0.11 0.28 1.03 -2.27 0.00 0.00 179.45 178.46 3fec h SER 62 N 0.04 0.89 -0.05 4.20 0.87 -0.94 -0.38 113.55 118.17 3fec h SER 62 Ca 0.02 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 3fec h SER 62 Cb 0.05 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 3fec h SER 62 CO -0.00 0.80 0.02 -0.26 -0.53 0.00 0.00 176.83 176.85 3fec h PHE 63 N 0.92 0.03 -0.70 2.24 0.04 -0.90 -1.60 116.94 116.98 3fec h PHE 63 Ca 0.22 0.00 0.03 0.00 2.80 0.00 0.00 57.97 61.03 3fec h PHE 63 Cb 0.18 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.27 3fec h PHE 63 CO 0.01 0.02 0.43 1.25 -0.60 0.00 0.00 178.31 179.42 3fec h LEU 64 N 0.05 0.70 -0.82 1.54 5.85 -0.46 -1.38 115.31 120.78 3fec h LEU 64 Ca 0.02 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 3fec h LEU 64 Cb 0.01 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3fec h LEU 64 CO -0.02 0.48 0.16 -0.09 -0.34 0.00 0.00 178.44 178.63 3fec h ARG 65 N 0.83 1.05 0.00 1.25 9.65 -0.89 -2.35 114.38 123.92 3fec h ARG 65 Ca 0.28 -0.24 -0.03 0.00 -1.10 0.00 0.00 59.98 58.89 3fec h ARG 65 Cb 0.05 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 28.48 3fec h ARG 65 CO -0.12 0.93 -0.16 0.66 2.80 0.00 0.00 179.97 184.08 3fec h SER 66 N 1.00 0.00 -0.21 -3.80 4.64 -0.26 -3.12 113.55 111.80 3fec h SER 66 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3fec h SER 66 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3fec h SER 66 CO 0.00 0.16 0.00 0.49 -0.87 0.00 0.00 176.83 176.61 3fec n PHE 67 N -3.42 0.26 -0.62 4.77 3.72 -0.81 -4.48 117.46 116.88 3fec n PHE 67 Ca -0.01 -0.14 0.04 0.00 -0.05 0.00 0.00 57.45 57.30 3fec n PHE 67 Cb 0.35 -0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.94 3fec n PHE 67 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3fec n THR 68 N 1.31 1.28 0.09 4.37 -2.24 -1.02 -4.69 114.28 113.38 3fec n THR 68 Ca 0.16 -1.45 -0.05 0.00 -2.27 0.00 0.00 64.05 60.44 3fec n THR 68 Cb 0.56 0.21 0.01 0.00 -2.10 0.00 0.00 70.33 69.01 3fec n THR 68 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3fec h LYS 69 N 0.00 0.02 -4.98 -0.78 1.57 -1.79 -3.44 116.57 107.18 3fec h LYS 69 Ca 0.00 -0.02 -0.31 0.00 -1.87 0.00 0.00 60.65 58.44 3fec h LYS 69 Cb 0.79 0.01 -0.16 0.00 0.08 0.00 0.00 32.23 32.94 3fec h LYS 69 CO 0.00 0.84 -0.72 -0.51 -0.57 0.00 0.00 179.45 178.49 3fec s LEU 70 N -7.16 2.47 0.63 2.94 1.43 -1.26 -5.04 118.68 112.68 3fec s LEU 70 Ca -0.00 -0.91 -0.17 0.00 -1.03 0.00 0.00 54.13 52.01 3fec s LEU 70 Cb 0.11 -0.30 -0.02 0.00 0.03 0.00 0.00 46.19 46.01 3fec s LEU 70 CO 0.80 -0.31 1.19 -2.84 0.23 0.00 0.00 176.35 175.41 3fec s PRO 71 N -3.28 2.80 -0.40 1.29 0.02 -1.26 -4.70 135.00 129.47 3fec s PRO 71 Ca 0.11 1.72 0.09 0.00 0.02 0.00 0.00 61.00 62.94 3fec s PRO 71 Cb 0.00 -1.92 0.28 0.00 0.02 0.00 0.00 34.50 32.89 3fec s PRO 71 CO -0.00 -1.31 0.66 -2.39 -0.33 0.00 0.00 177.00 173.62 3fec n HIS 72 N -1.93 -0.63 -2.57 6.54 1.44 -1.00 -4.66 115.22 112.41 3fec n HIS 72 Ca 0.13 -3.39 -0.38 0.00 -2.01 0.00 0.00 57.72 52.08 3fec n HIS 72 Cb 0.50 -0.07 -0.05 0.00 0.12 0.00 0.00 29.99 30.49 3fec n HIS 72 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 3fec s LEU 73 N -1.59 4.29 0.45 2.39 2.96 -1.24 -1.37 118.68 124.57 3fec s LEU 73 Ca 0.36 2.06 -0.25 0.00 -0.22 0.00 0.00 54.13 56.07 3fec s LEU 73 Cb 0.24 -4.00 -0.08 0.00 0.50 0.00 0.00 46.19 42.85 3fec s LEU 73 CO -0.11 -0.32 1.41 0.00 -1.32 0.00 0.00 176.35 176.01 3fec s ALA 74 N -1.51 3.21 0.00 5.97 0.00 -1.26 -2.21 121.76 125.96 3fec s ALA 74 Ca 0.53 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.91 3fec s ALA 74 Cb -0.24 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.30 3fec s ALA 74 CO 0.30 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.31 3fec n GLY 75 N 0.60 1.19 3.91 0.00 0.00 -1.26 -5.02 105.19 104.61 3fec n GLY 75 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 3fec n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fec s THR 76 N -3.37 4.57 0.26 2.61 -4.23 -0.94 -4.89 115.64 109.65 3fec s THR 76 Ca 0.00 -1.18 -0.03 0.00 -1.18 0.00 0.00 61.69 59.30 3fec s THR 76 Cb 0.00 -3.55 0.25 0.00 1.34 0.00 0.00 72.50 70.54 3fec s THR 76 CO 0.00 -0.29 1.87 -0.08 -0.54 0.00 0.00 174.62 175.58 3fec h GLU 77 N 1.24 1.07 -0.48 3.99 4.57 -1.96 -2.29 114.58 120.72 3fec h GLU 77 Ca -0.49 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 57.60 3fec h GLU 77 Cb 1.24 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 29.56 3fec h GLU 77 CO 0.59 0.71 0.16 1.96 -1.18 0.00 0.00 179.01 181.26 3fec h GLN 78 N 1.11 0.69 0.00 1.92 4.20 -1.90 0.59 115.11 121.72 3fec h GLN 78 Ca 0.41 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.99 3fec h GLN 78 Cb 0.17 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 3fec h GLN 78 CO -0.17 0.59 -0.12 -0.97 -0.67 0.00 0.00 178.83 177.49 3fec h ASN 79 N 0.68 0.00 -0.13 1.46 -1.24 -1.63 -0.33 115.58 114.39 3fec h ASN 79 Ca 0.16 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 57.03 3fec h ASN 79 Cb 0.18 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.23 3fec h ASN 79 CO -0.01 0.12 -0.47 0.15 -1.29 0.00 0.00 177.43 175.92 3fec h PHE 80 N 0.00 0.73 -0.94 0.67 3.57 -0.98 -2.27 116.94 117.72 3fec h PHE 80 Ca -0.00 -0.30 0.04 0.00 3.53 0.00 0.00 57.97 61.23 3fec h PHE 80 Cb 0.95 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.51 3fec h PHE 80 CO 0.00 1.08 0.61 -0.07 -2.23 0.00 0.00 178.31 177.70 3fec h LEU 81 N 0.18 1.02 -0.80 0.59 3.38 -0.65 -1.08 115.31 117.95 3fec h LEU 81 Ca -0.02 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3fec h LEU 81 Cb 1.10 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 3fec h LEU 81 CO 0.10 0.69 0.19 0.25 0.09 0.00 0.00 178.44 179.77 3fec h LEU 82 N 1.18 1.02 -0.46 1.67 5.85 -1.08 -1.22 115.31 122.27 3fec h LEU 82 Ca 0.38 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.94 3fec h LEU 82 Cb 0.01 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 3fec h LEU 82 CO -0.12 0.97 0.22 0.00 -0.34 0.00 0.00 178.44 179.16 3fec h ALA 83 N 1.16 0.58 -0.82 1.25 0.00 -0.70 -0.84 119.26 119.89 3fec h ALA 83 Ca 0.22 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3fec h ALA 83 Cb 0.33 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3fec h ALA 83 CO -0.00 -0.14 0.43 0.87 0.00 0.00 0.00 179.25 180.40 3fec h LYS 84 N 0.43 1.16 -0.45 0.00 1.57 -0.81 -0.32 116.57 118.16 3fec h LYS 84 Ca 0.21 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 3fec h LYS 84 Cb 0.13 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3fec h LYS 84 CO -0.16 0.87 0.10 -0.22 -0.57 0.00 0.00 179.45 179.47 3fec h LYS 85 N 1.16 0.72 -0.58 3.15 3.64 -0.84 -0.51 116.57 123.32 3fec h LYS 85 Ca 0.29 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3fec h LYS 85 Cb 0.06 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 3fec h LYS 85 CO -0.04 0.73 0.31 0.82 -2.27 0.00 0.00 179.45 179.00 3fec h ILE 86 N 0.60 1.19 -0.43 2.00 2.04 -0.87 -0.26 117.51 121.78 3fec h ILE 86 Ca 0.14 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3fec h ILE 86 Cb 0.33 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3fec h ILE 86 CO 0.00 0.21 0.21 -0.61 0.00 0.00 0.00 178.15 177.96 3fec h GLN 87 N 0.78 0.62 -0.72 2.37 4.15 -0.89 -0.29 115.11 121.12 3fec h GLN 87 Ca 0.20 -0.09 0.02 0.00 0.77 0.00 0.00 58.65 59.56 3fec h GLN 87 Cb 0.05 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.59 3fec h GLN 87 CO -0.03 0.53 0.46 1.15 -1.93 0.00 0.00 178.83 179.00 3fec h THR 88 N 0.55 1.12 -0.51 2.39 2.02 -0.74 -1.61 112.91 116.14 3fec h THR 88 Ca 0.15 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 3fec h THR 88 Cb 0.11 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 3fec h THR 88 CO -0.02 0.17 0.18 1.56 0.37 0.00 0.00 175.52 177.78 3fec h GLN 89 N 0.91 0.77 -0.56 6.66 4.20 -0.61 -1.14 115.11 125.34 3fec h GLN 89 Ca 0.28 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 3fec h GLN 89 Cb -0.02 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 3fec h GLN 89 CO -0.09 0.70 0.20 -1.49 -0.67 0.00 0.00 178.83 177.48 3fec h TRP 90 N 0.69 0.84 -0.49 2.96 6.55 -0.65 0.16 115.95 126.01 3fec h TRP 90 Ca 0.17 -0.05 -0.06 0.00 0.95 0.00 0.00 58.89 59.90 3fec h TRP 90 Cb 0.23 -0.26 -0.02 0.00 -0.86 0.00 0.00 29.16 28.26 3fec h TRP 90 CO 0.01 0.67 0.09 0.87 -1.05 0.00 0.00 178.44 179.03 3fec h LYS 91 N 0.82 0.80 -0.89 0.49 1.57 -1.04 -2.40 116.57 115.92 3fec h LYS 91 Ca 0.19 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3fec h LYS 91 Cb 0.20 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 3fec h LYS 91 CO -0.01 0.80 0.54 -0.22 -0.57 0.00 0.00 179.45 179.99 3fec h LYS 92 N 0.68 1.21 0.00 3.15 3.64 -0.10 -1.90 116.57 123.25 3fec h LYS 92 Ca 0.15 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3fec h LYS 92 Cb 0.38 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3fec h LYS 92 CO 0.01 0.84 0.00 0.74 -2.27 0.00 0.00 179.45 178.77 3fec h PHE 93 N 1.23 0.00 0.00 1.91 0.04 -0.47 -3.46 116.94 116.19 3fec h PHE 93 Ca 0.32 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.09 3fec h PHE 93 Cb -0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.09 3fec h PHE 93 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 3fec n GLY 94 N -0.38 1.17 3.71 -1.45 0.00 -0.71 -4.25 105.19 103.28 3fec n GLY 94 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3fec n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fec s LEU 95 N 0.00 3.37 0.29 0.99 1.02 -0.93 -4.92 118.68 118.50 3fec s LEU 95 Ca 0.00 2.50 0.08 0.00 0.02 0.00 0.00 54.13 56.74 3fec s LEU 95 Cb 0.00 -4.60 0.45 0.00 0.02 0.00 0.00 46.19 42.05 3fec s LEU 95 CO 0.00 -2.33 1.68 0.44 0.02 0.00 0.00 176.35 176.16 3fec h ASP 96 N -0.15 0.16 -5.16 2.29 3.32 -1.22 -3.45 116.42 112.20 3fec h ASP 96 Ca -0.49 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 56.41 3fec h ASP 96 Cb 1.32 -0.04 -0.14 0.00 0.22 0.00 0.00 39.33 40.69 3fec h ASP 96 CO 0.50 0.62 -0.32 -0.94 -1.72 0.00 0.00 179.24 177.37 3fec s SER 97 N -6.89 0.06 -0.29 6.45 1.04 -1.19 -4.94 113.70 107.94 3fec s SER 97 Ca -0.03 -0.64 0.02 0.00 0.48 0.00 0.00 55.95 55.77 3fec s SER 97 Cb 0.13 0.37 0.19 0.00 0.10 0.00 0.00 66.02 66.82 3fec s SER 97 CO 0.77 -0.77 0.65 0.00 0.98 0.00 0.00 173.24 174.86 3fec s ALA 98 N -3.87 -2.54 0.15 5.32 0.00 -1.26 -2.21 121.76 117.35 3fec s ALA 98 Ca 0.07 1.33 0.10 0.00 0.00 0.00 0.00 51.96 53.46 3fec s ALA 98 Cb 0.04 -2.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.66 3fec s ALA 98 CO -0.09 -1.69 -0.24 -1.59 0.00 0.00 0.00 175.76 172.14 3fec s LYS 99 N 2.85 1.39 -0.11 0.00 0.00 0.03 -4.93 119.74 118.97 3fec s LYS 99 Ca 0.14 -1.40 -0.20 0.00 0.00 0.00 0.00 55.97 54.52 3fec s LYS 99 Cb -0.11 -1.74 -0.04 0.00 0.00 0.00 0.00 37.83 35.95 3fec s LYS 99 CO -0.24 0.39 0.54 -0.51 0.00 0.00 0.00 175.35 175.54 3fec s LEU 100 N -2.34 4.28 -0.19 2.77 1.43 -1.26 -0.39 118.68 122.97 3fec s LEU 100 Ca 0.16 0.92 0.01 0.00 -1.03 0.00 0.00 54.13 54.18 3fec s LEU 100 Cb -0.09 -2.81 0.02 0.00 0.03 0.00 0.00 46.19 43.35 3fec s LEU 100 CO 0.07 -0.04 -0.18 -0.69 0.23 0.00 0.00 176.35 175.74 3fec s VAL 101 N 0.73 2.17 0.26 -1.59 1.01 0.16 -4.96 120.40 118.17 3fec s VAL 101 Ca 0.29 -1.00 0.09 0.00 0.00 0.00 0.00 61.98 61.36 3fec s VAL 101 Cb -0.16 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3fec s VAL 101 CO 0.12 0.45 0.07 -1.38 0.00 0.00 0.00 175.10 174.37 3fec s HIS 102 N 1.28 2.85 0.05 5.22 -3.43 -1.26 -0.68 115.29 119.32 3fec s HIS 102 Ca 0.03 -0.18 -0.04 0.00 -0.80 0.00 0.00 55.06 54.07 3fec s HIS 102 Cb -0.14 -1.28 -0.02 0.00 -1.43 0.00 0.00 32.58 29.71 3fec s HIS 102 CO -0.11 0.58 0.07 0.71 -2.00 0.00 0.00 174.74 173.98 3fec s TYR 103 N -2.23 0.29 -0.30 0.38 2.02 -0.85 -4.92 117.35 111.74 3fec s TYR 103 Ca 0.32 -0.69 0.00 0.00 -0.37 0.00 0.00 57.07 56.33 3fec s TYR 103 Cb -0.07 -0.21 0.06 0.00 -0.40 0.00 0.00 41.96 41.35 3fec s TYR 103 CO 0.22 -0.39 -0.00 -0.51 -1.57 0.00 0.00 175.55 173.29 3fec s ASP 104 N -2.45 4.79 0.22 2.29 1.01 -0.77 -0.67 116.67 121.09 3fec s ASP 104 Ca -0.00 -1.48 0.07 0.00 0.71 0.00 0.00 52.55 51.85 3fec s ASP 104 Cb 0.02 -1.67 -0.05 0.00 1.01 0.00 0.00 42.92 42.23 3fec s ASP 104 CO -0.07 -0.28 -0.12 0.68 0.21 0.00 0.00 175.17 175.59 3fec s VAL 105 N 1.16 1.67 -0.21 -1.27 -7.23 -0.41 -4.81 120.40 109.30 3fec s VAL 105 Ca -0.03 -2.18 -0.29 0.00 -1.81 0.00 0.00 61.98 57.67 3fec s VAL 105 Cb -0.20 -2.13 -0.00 0.00 0.56 0.00 0.00 36.38 34.60 3fec s VAL 105 CO -0.03 -0.53 1.18 -0.22 -0.31 0.00 0.00 175.10 175.19 3fec s LEU 106 N -3.34 4.11 0.54 1.32 2.96 -1.26 -0.49 118.68 122.52 3fec s LEU 106 Ca 0.24 1.50 0.04 0.00 -0.22 0.00 0.00 54.13 55.69 3fec s LEU 106 Cb 0.01 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.18 3fec s LEU 106 CO 0.08 -0.77 0.29 -0.76 -1.32 0.00 0.00 176.35 173.87 3fec s LEU 107 N 3.51 2.57 -0.13 -0.68 1.43 -0.29 -4.81 118.68 120.27 3fec s LEU 107 Ca 0.51 -1.37 -0.08 0.00 -1.03 0.00 0.00 54.13 52.16 3fec s LEU 107 Cb -0.18 -1.05 0.05 0.00 0.03 0.00 0.00 46.19 45.04 3fec s LEU 107 CO 0.13 -1.05 0.33 -0.55 0.23 0.00 0.00 176.35 175.44 3fec s SER 108 N -4.18 -0.38 0.03 2.29 0.15 -1.26 -0.80 113.70 109.55 3fec s SER 108 Ca 0.26 0.70 -0.03 0.00 0.70 0.00 0.00 55.95 57.57 3fec s SER 108 Cb -0.01 0.60 -0.02 0.00 -1.71 0.00 0.00 66.02 64.88 3fec s SER 108 CO 0.16 -0.17 0.04 -0.31 1.20 0.00 0.00 173.24 174.16 3fec s TYR 109 N 1.11 0.27 0.70 3.44 2.02 -0.39 -4.79 117.35 119.70 3fec s TYR 109 Ca -0.08 -0.59 -0.16 0.00 -0.37 0.00 0.00 57.07 55.87 3fec s TYR 109 Cb -0.08 -0.20 0.02 0.00 -0.40 0.00 0.00 41.96 41.30 3fec s TYR 109 CO -0.09 -0.31 1.24 -2.14 -1.57 0.00 0.00 175.55 172.68 3fec s PRO 110 N -2.42 2.30 -0.31 -1.71 0.02 -1.26 0.02 135.00 131.64 3fec s PRO 110 Ca -0.07 1.87 -0.25 0.00 0.02 0.00 0.00 61.00 62.58 3fec s PRO 110 Cb -0.03 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.66 3fec s PRO 110 CO -0.04 -1.74 0.85 1.21 -0.33 0.00 0.00 177.00 176.95 3fec s ASN 111 N -1.78 6.73 0.66 2.53 3.84 -1.25 -4.72 114.94 120.93 3fec s ASN 111 Ca 0.77 0.75 0.43 0.00 0.21 0.00 0.00 52.86 55.02 3fec s ASN 111 Cb -0.32 -2.44 2.35 0.00 -0.55 0.00 0.00 41.25 40.29 3fec s ASN 111 CO 0.43 -0.67 2.36 -0.33 -2.79 0.00 0.00 177.10 176.10 3fec h GLU 112 N 8.10 0.00 -0.22 0.43 5.08 -1.95 -2.35 114.58 123.67 3fec h GLU 112 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3fec h GLU 112 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3fec h GLU 112 CO 0.92 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 179.18 3fec n THR 113 N -3.20 1.49 -3.17 1.13 -2.24 -1.26 -4.71 114.28 102.31 3fec n THR 113 Ca -0.03 -1.41 -0.17 0.00 -2.27 0.00 0.00 64.05 60.17 3fec n THR 113 Cb 0.07 0.19 -0.06 0.00 -2.10 0.00 0.00 70.33 68.43 3fec n THR 113 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3fec s ASN 114 N -1.50 0.37 0.37 3.42 2.47 -0.88 -5.14 114.94 114.05 3fec s ASN 114 Ca 0.26 -2.28 -0.26 0.00 0.42 0.00 0.00 52.86 51.00 3fec s ASN 114 Cb 0.19 0.59 -0.09 0.00 -1.45 0.00 0.00 41.25 40.48 3fec s ASN 114 CO 0.09 -0.15 1.13 0.00 -3.72 0.00 0.00 177.10 174.45 3fec s ALA 115 N 0.65 3.21 0.53 1.71 0.00 -1.25 -4.36 121.76 122.25 3fec s ALA 115 Ca 0.28 0.90 -0.18 0.00 0.00 0.00 0.00 51.96 52.96 3fec s ALA 115 Cb -0.02 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 3fec s ALA 115 CO -0.11 -0.37 1.04 -0.80 0.00 0.00 0.00 175.76 175.52 3fec s ASN 116 N -1.16 6.16 0.20 0.00 0.01 -1.26 -4.89 114.94 114.00 3fec s ASN 116 Ca 0.54 1.86 -0.23 0.00 -0.71 0.00 0.00 52.86 54.32 3fec s ASN 116 Cb -0.29 -2.55 0.05 0.00 0.41 0.00 0.00 41.25 38.87 3fec s ASN 116 CO 0.37 -0.91 0.88 -0.72 -1.51 0.00 0.00 177.10 175.21 3fec s TYR 117 N -2.20 -0.14 0.04 2.20 -0.85 -0.31 -4.97 117.35 111.11 3fec s TYR 117 Ca 0.65 -0.23 0.08 0.00 -0.52 0.00 0.00 57.07 57.05 3fec s TYR 117 Cb -0.16 0.67 -0.03 0.00 0.38 0.00 0.00 41.96 42.83 3fec s TYR 117 CO 0.27 -0.99 -0.23 0.42 -1.52 0.00 0.00 175.55 173.51 3fec s ILE 118 N -3.45 1.82 0.13 -3.49 1.01 -1.26 -0.34 121.20 115.61 3fec s ILE 118 Ca 0.12 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.52 3fec s ILE 118 Cb -0.03 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 3fec s ILE 118 CO 0.04 0.27 0.02 -0.94 0.00 0.00 0.00 174.94 174.33 3fec s SER 119 N -1.17 0.66 -0.08 3.58 1.04 -0.24 -1.15 113.70 116.35 3fec s SER 119 Ca 0.09 -1.16 0.04 0.00 0.48 0.00 0.00 55.95 55.40 3fec s SER 119 Cb -0.09 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 3fec s SER 119 CO 0.02 -0.65 -0.21 -0.63 0.98 0.00 0.00 173.24 172.75 3fec s ILE 120 N -3.89 2.39 0.23 -1.02 1.01 -0.22 -0.47 121.20 119.24 3fec s ILE 120 Ca 0.21 -0.93 0.12 0.00 0.00 0.00 0.00 60.65 60.05 3fec s ILE 120 Cb 0.07 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 3fec s ILE 120 CO 0.00 0.56 -0.22 0.68 0.00 0.00 0.00 174.94 175.96 3fec s VAL 121 N 0.02 2.39 0.45 2.92 -7.23 -0.28 -0.76 120.40 117.91 3fec s VAL 121 Ca -0.08 -2.19 -0.04 0.00 -1.81 0.00 0.00 61.98 57.86 3fec s VAL 121 Cb -0.15 -2.19 0.10 0.00 0.56 0.00 0.00 36.38 34.70 3fec s VAL 121 CO 0.05 -0.24 0.61 -0.90 -0.31 0.00 0.00 175.10 174.31 3fec n ASP 122 N -0.10 0.39 0.00 4.85 3.85 -0.54 -1.34 116.55 123.65 3fec n ASP 122 Ca -0.09 -1.43 0.11 0.00 -0.71 0.00 0.00 54.79 52.67 3fec n ASP 122 Cb 0.58 -0.43 0.59 0.00 -1.35 0.00 0.00 41.12 40.51 3fec n ASP 122 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 3fec n GLU 123 N -2.22 0.35 -0.68 0.11 0.00 -1.26 -2.07 120.64 114.88 3fec n GLU 123 Ca 0.09 0.06 0.08 0.00 0.00 0.00 0.00 57.16 57.39 3fec n GLU 123 Cb 0.31 -1.50 0.35 0.00 0.00 0.00 0.00 31.44 30.60 3fec n GLU 123 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3fec n HIS 124 N -1.27 1.59 -1.57 -1.84 8.25 -1.26 -4.93 115.22 114.19 3fec n HIS 124 Ca 0.11 -0.69 -0.20 0.00 -0.26 0.00 0.00 57.72 56.69 3fec n HIS 124 Cb 0.18 -0.35 -0.08 0.00 1.12 0.00 0.00 29.99 30.86 3fec n HIS 124 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3fec n GLU 125 N 0.67 -1.41 -3.00 -0.41 1.02 -0.88 -4.99 120.64 111.64 3fec n GLU 125 Ca 0.25 1.19 -0.40 0.00 -0.02 0.00 0.00 57.16 58.19 3fec n GLU 125 Cb 0.99 -5.54 -0.05 0.00 -0.02 0.00 0.00 31.44 26.81 3fec n GLU 125 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3fec s THR 126 N -2.71 4.78 -0.11 2.62 2.01 -1.26 -4.82 115.64 116.15 3fec s THR 126 Ca 0.00 1.58 -0.29 0.00 0.31 0.00 0.00 61.69 63.29 3fec s THR 126 Cb 0.00 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 3fec s THR 126 CO 0.00 0.36 1.44 -1.61 -0.69 0.00 0.00 174.62 174.11 3fec s GLU 127 N 0.03 4.21 -0.22 4.92 2.02 -1.26 -1.47 118.70 126.93 3fec s GLU 127 Ca 0.38 1.90 0.13 0.00 0.02 0.00 0.00 54.97 57.40 3fec s GLU 127 Cb -0.20 -3.86 -0.23 0.00 0.10 0.00 0.00 34.13 29.94 3fec s GLU 127 CO 0.22 -0.77 -0.02 -0.89 0.02 0.00 0.00 175.26 173.82 3fec n ILE 128 N 5.42 1.42 -3.79 -1.63 2.08 0.06 -4.98 119.36 117.94 3fec n ILE 128 Ca 0.15 -0.77 -0.13 0.00 0.56 0.00 0.00 62.75 62.57 3fec n ILE 128 Cb 0.44 -0.76 -0.10 0.00 -0.75 0.00 0.00 39.64 38.47 3fec n ILE 128 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 3fec s PHE 129 N -2.50 -0.19 -0.09 1.39 5.36 -1.14 -4.99 117.98 115.83 3fec s PHE 129 Ca -0.18 0.38 -0.09 0.00 -0.96 0.00 0.00 56.93 56.09 3fec s PHE 129 Cb 0.07 0.07 0.02 0.00 -0.34 0.00 0.00 43.02 42.85 3fec s PHE 129 CO 0.76 -0.28 0.25 0.21 -1.46 0.00 0.00 175.22 174.70 3fec s LYS 130 N -0.76 0.29 0.59 10.12 2.20 -1.26 -1.05 119.74 129.87 3fec s LYS 130 Ca -0.09 0.35 -0.17 0.00 -0.36 0.00 0.00 55.97 55.70 3fec s LYS 130 Cb -0.04 0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 36.38 3fec s LYS 130 CO 0.02 -0.04 1.11 0.95 -0.36 0.00 0.00 175.35 177.04 3fec s THR 131 N 0.14 3.26 0.00 3.43 -4.23 -0.30 -5.00 115.64 112.95 3fec s THR 131 Ca -0.00 0.69 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 3fec s THR 131 Cb -0.02 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.60 3fec s THR 131 CO 0.00 -0.26 0.00 -0.24 -0.54 0.00 0.00 174.62 173.58 3fec n SER 132 N -1.78 0.00 -4.05 3.99 2.88 -1.26 -4.77 113.62 108.63 3fec n SER 132 Ca 0.11 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.52 3fec n SER 132 Cb 0.52 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.86 3fec n SER 132 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3fec s PRO 137 N 3.66 0.49 0.72 -1.46 0.02 -1.26 -4.99 135.00 132.18 3fec s PRO 137 Ca 0.00 -0.70 -0.15 0.00 0.02 0.00 0.00 61.00 60.17 3fec s PRO 137 Cb 0.00 -0.26 0.04 0.00 0.02 0.00 0.00 34.50 34.30 3fec s PRO 137 CO 0.00 0.04 1.18 -2.14 -0.33 0.00 0.00 177.00 175.76 3fec s PRO 138 N -1.46 2.24 0.20 5.54 0.02 -1.26 -4.80 135.00 135.47 3fec s PRO 138 Ca -0.10 1.66 -0.33 0.00 0.02 0.00 0.00 61.00 62.26 3fec s PRO 138 Cb -0.09 -1.86 -0.14 0.00 0.02 0.00 0.00 34.50 32.43 3fec s PRO 138 CO 0.00 -1.74 1.49 -0.25 -0.33 0.00 0.00 177.00 176.17 3fec n ASP 139 N -2.72 2.91 0.00 2.53 10.43 -1.26 -1.21 116.55 127.23 3fec n ASP 139 Ca 0.13 1.11 0.00 0.00 2.57 0.00 0.00 54.79 58.60 3fec n ASP 139 Cb 0.51 -1.42 0.00 0.00 1.84 0.00 0.00 41.12 42.04 3fec n ASP 139 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fec n GLY 140 N 2.75 0.60 0.42 0.44 0.00 -1.26 -4.89 105.19 103.25 3fec n GLY 140 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 3fec n GLY 140 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fec n TYR 141 N -2.00 0.00 0.24 1.61 4.01 -0.35 -4.77 117.16 115.90 3fec n TYR 141 Ca 0.00 -1.18 0.11 0.00 -0.16 0.00 0.00 57.90 56.68 3fec n TYR 141 Cb 0.00 -0.19 0.71 0.00 -0.31 0.00 0.00 39.34 39.54 3fec n TYR 141 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3fec h GLU 142 N 0.54 0.00 -0.05 -0.72 3.07 -1.88 -2.50 114.58 113.04 3fec h GLU 142 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3fec h GLU 142 Cb 1.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 3fec h GLU 142 CO 0.01 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.71 3fec n ASN 143 N -4.36 1.20 -4.69 1.42 3.02 -1.26 -4.88 115.26 105.71 3fec n ASN 143 Ca -0.01 -1.48 -0.42 0.00 -0.03 0.00 0.00 54.58 52.64 3fec n ASN 143 Cb 0.16 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 3fec n ASN 143 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3fec s VAL 144 N -1.94 4.86 -0.48 2.41 1.01 -0.94 -4.95 120.40 120.37 3fec s VAL 144 Ca 0.37 1.87 0.17 0.00 0.00 0.00 0.00 61.98 64.39 3fec s VAL 144 Cb 0.19 -4.24 -0.21 0.00 0.00 0.00 0.00 36.38 32.12 3fec s VAL 144 CO 0.31 0.08 0.57 0.41 0.00 0.00 0.00 175.10 176.46 3fec n THR 145 N 4.35 0.00 -2.01 3.92 -1.04 -1.26 -4.59 114.28 113.66 3fec n THR 145 Ca 0.06 -0.22 -0.19 0.00 -2.04 0.00 0.00 64.05 61.65 3fec n THR 145 Cb 0.50 0.64 0.04 0.00 -1.82 0.00 0.00 70.33 69.69 3fec n THR 145 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3fec n ASN 146 N -1.67 4.41 -4.69 8.00 5.03 -1.26 -5.00 115.26 120.08 3fec n ASN 146 Ca 0.01 -3.69 -0.42 0.00 0.87 0.00 0.00 54.58 51.34 3fec n ASN 146 Cb 0.33 -0.37 -0.03 0.00 -1.02 0.00 0.00 39.78 38.70 3fec n ASN 146 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3fec s ILE 147 N -4.39 4.27 0.13 2.41 1.01 -1.26 -4.90 121.20 118.48 3fec s ILE 147 Ca 0.48 1.59 -0.30 0.00 0.00 0.00 0.00 60.65 62.43 3fec s ILE 147 Cb 0.40 -4.02 -0.07 0.00 0.01 0.00 0.00 42.46 38.78 3fec s ILE 147 CO 0.02 -0.00 1.15 0.54 0.00 0.00 0.00 174.94 176.65 3fec s VAL 148 N 2.21 3.90 0.89 2.92 0.11 -1.26 -5.00 120.40 124.17 3fec s VAL 148 Ca 0.56 1.51 -0.11 0.00 -2.93 0.00 0.00 61.98 61.00 3fec s VAL 148 Cb -0.24 -3.97 0.13 0.00 -1.53 0.00 0.00 36.38 30.77 3fec s VAL 148 CO 0.22 0.20 1.09 -2.16 -3.33 0.00 0.00 175.10 171.12 3fec s PRO 149 N 0.22 1.29 0.21 1.54 0.04 -1.26 -4.91 135.00 132.12 3fec s PRO 149 Ca 0.54 0.92 -0.32 0.00 0.04 0.00 0.00 61.00 62.17 3fec s PRO 149 Cb -0.30 -1.81 -0.14 0.00 0.04 0.00 0.00 34.50 32.30 3fec s PRO 149 CO 0.33 -2.24 1.41 -0.35 0.04 0.00 0.00 177.00 176.18 3fec n PRO 150 N -3.90 1.91 -3.69 0.56 -0.04 -1.26 -4.95 135.00 123.63 3fec n PRO 150 Ca 0.07 0.68 -0.06 0.00 -0.04 0.00 0.00 63.50 64.16 3fec n PRO 150 Cb 0.55 -2.34 -0.02 0.00 -0.04 0.00 0.00 33.50 31.65 3fec n PRO 150 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3fec s TYR 151 N 0.15 -0.22 -0.33 0.54 1.13 -1.26 -4.86 117.35 112.49 3fec s TYR 151 Ca 0.72 -0.07 -0.04 0.00 -1.41 0.00 0.00 57.07 56.27 3fec s TYR 151 Cb -0.69 0.62 0.05 0.00 -1.10 0.00 0.00 41.96 40.84 3fec s TYR 151 CO 0.47 -0.83 0.08 -0.80 -2.51 0.00 0.00 175.55 171.96 3fec s ASN 152 N -2.83 5.14 0.24 -0.18 0.01 -1.26 -3.51 114.94 112.55 3fec s ASN 152 Ca 0.10 -1.31 -0.31 0.00 -0.71 0.00 0.00 52.86 50.63 3fec s ASN 152 Cb -0.02 -1.80 -0.13 0.00 0.41 0.00 0.00 41.25 39.71 3fec s ASN 152 CO -0.01 -0.33 1.42 0.00 -1.51 0.00 0.00 177.10 176.67 3fec n ALA 153 N 4.71 1.21 -0.95 0.60 0.00 -1.15 -1.94 120.51 122.98 3fec n ALA 153 Ca -0.12 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3fec n ALA 153 Cb 0.44 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.60 3fec n ALA 153 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3fec n PHE 154 N 1.89 0.00 -1.46 0.00 3.72 -1.26 -1.57 117.46 118.79 3fec n PHE 154 Ca 0.11 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.10 3fec n PHE 154 Cb 0.32 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.87 3fec n PHE 154 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3fec n SER 155 N 0.00 -0.82 -4.73 4.37 2.88 -0.82 -4.22 113.62 110.28 3fec n SER 155 Ca 0.00 0.90 -0.30 0.00 -1.33 0.00 0.00 58.87 58.13 3fec n SER 155 Cb 0.00 -1.13 0.12 0.00 -0.75 0.00 0.00 64.21 62.45 3fec n SER 155 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3fec s ALA 156 N -1.49 1.83 0.22 -1.46 0.00 -1.11 -4.81 121.76 114.95 3fec s ALA 156 Ca 0.64 0.18 -0.15 0.00 0.00 0.00 0.00 51.96 52.63 3fec s ALA 156 Cb -0.59 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.19 3fec s ALA 156 CO 0.58 -2.15 0.63 -0.65 0.00 0.00 0.00 175.76 174.17 3fec s GLN 157 N -4.87 4.02 0.00 0.00 -0.21 -1.26 -4.06 119.66 113.28 3fec s GLN 157 Ca 0.63 0.58 0.00 0.00 0.02 0.00 0.00 55.36 56.59 3fec s GLN 157 Cb -0.18 -2.76 0.00 0.00 1.00 0.00 0.00 33.01 31.06 3fec s GLN 157 CO 0.57 0.36 0.00 0.41 -2.12 0.00 0.00 175.29 174.51 3fec n GLY 158 N 0.37 1.17 2.57 3.09 0.00 -0.06 -4.72 105.19 107.61 3fec n GLY 158 Ca -0.02 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.85 3fec n GLY 158 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3fec n MET 159 N -0.48 2.21 -1.70 1.61 2.81 -1.26 -1.28 117.12 119.03 3fec n MET 159 Ca 0.00 -4.00 -0.35 0.00 -1.81 0.00 0.00 57.70 51.54 3fec n MET 159 Cb 0.00 -1.86 0.06 0.00 -0.71 0.00 0.00 33.22 30.72 3fec n MET 159 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3fec s PRO 160 N -3.15 2.55 -0.01 0.03 0.04 -1.22 -4.73 135.00 128.50 3fec s PRO 160 Ca 0.41 1.75 0.01 0.00 0.04 0.00 0.00 61.00 63.20 3fec s PRO 160 Cb 0.37 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 33.03 3fec s PRO 160 CO -0.09 -1.52 -0.01 -2.00 0.04 0.00 0.00 177.00 173.41 3fec s GLU 161 N -3.70 0.17 -0.04 4.56 2.12 -1.26 -1.29 118.70 119.26 3fec s GLU 161 Ca 0.75 -0.04 -0.15 0.00 0.36 0.00 0.00 54.97 55.89 3fec s GLU 161 Cb -0.29 -0.20 0.05 0.00 0.26 0.00 0.00 34.13 33.95 3fec s GLU 161 CO 0.40 0.01 0.69 0.41 -0.54 0.00 0.00 175.26 176.23 3fec n GLY 162 N 3.23 0.29 3.80 -1.50 0.00 -0.25 -4.94 105.19 105.82 3fec n GLY 162 Ca -0.15 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 3fec n GLY 162 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fec s ASP 163 N -2.50 6.51 -0.01 1.61 1.01 -1.26 -1.21 116.67 120.82 3fec s ASP 163 Ca 0.16 1.93 -0.13 0.00 0.71 0.00 0.00 52.55 55.23 3fec s ASP 163 Cb -0.00 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 3fec s ASP 163 CO -0.01 -0.66 0.36 -0.22 0.21 0.00 0.00 175.17 174.85 3fec s LEU 164 N -3.23 4.45 -0.05 1.23 2.96 -1.26 -1.32 118.68 121.46 3fec s LEU 164 Ca 0.64 0.86 0.02 0.00 -0.22 0.00 0.00 54.13 55.43 3fec s LEU 164 Cb -0.17 -2.54 0.02 0.00 0.50 0.00 0.00 46.19 43.99 3fec s LEU 164 CO 0.21 0.32 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.79 3fec s VAL 165 N -1.11 0.81 -0.10 1.68 1.01 -0.32 -2.00 120.40 120.37 3fec s VAL 165 Ca 0.23 -0.29 -0.23 0.00 0.00 0.00 0.00 61.98 61.69 3fec s VAL 165 Cb -0.16 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 3fec s VAL 165 CO 0.12 0.28 0.70 -0.47 0.00 0.00 0.00 175.10 175.73 3fec s TYR 166 N 0.76 3.53 -0.14 5.22 5.04 -0.24 -0.83 117.35 130.68 3fec s TYR 166 Ca -0.13 1.19 0.17 0.00 -2.44 0.00 0.00 57.07 55.86 3fec s TYR 166 Cb -0.15 -2.82 0.32 0.00 0.35 0.00 0.00 41.96 39.66 3fec s TYR 166 CO 0.02 0.01 1.16 1.33 -1.34 0.00 0.00 175.55 176.73 3fec n VAL 167 N 4.02 1.90 -4.17 3.14 0.24 -0.51 -4.81 118.33 118.15 3fec n VAL 167 Ca -0.01 -2.44 0.00 0.00 -2.04 0.00 0.00 64.34 59.85 3fec n VAL 167 Cb 0.51 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 3fec n VAL 167 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3fec n ASN 168 N -1.31 0.00 0.00 -1.34 5.15 -1.26 -2.14 115.26 114.36 3fec n ASN 168 Ca 0.16 0.00 0.06 0.00 -0.60 0.00 0.00 54.58 54.21 3fec n ASN 168 Cb 0.66 0.00 0.38 0.00 -0.53 0.00 0.00 39.78 40.29 3fec n ASN 168 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 3fec n TYR 169 N 14.00 0.00 -2.08 1.20 4.01 -1.26 -0.84 117.16 132.19 3fec n TYR 169 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 3fec n TYR 169 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 38.99 3fec n TYR 169 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3fec n ALA 170 N -0.70 -0.49 -1.71 -0.72 0.00 -0.91 -4.77 120.51 111.21 3fec n ALA 170 Ca 0.10 0.22 -0.31 0.00 0.00 0.00 0.00 53.44 53.45 3fec n ALA 170 Cb 0.04 -2.09 0.04 0.00 0.00 0.00 0.00 19.45 17.44 3fec n ALA 170 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3fec s ARG 171 N -4.52 3.10 0.24 0.00 0.52 -1.26 -4.32 118.95 112.71 3fec s ARG 171 Ca 0.00 0.80 -0.05 0.00 -0.52 0.00 0.00 55.73 55.96 3fec s ARG 171 Cb 0.00 -2.02 0.46 0.00 0.52 0.00 0.00 34.95 33.91 3fec s ARG 171 CO 0.00 -0.94 1.70 1.15 0.02 0.00 0.00 175.30 177.23 3fec h THR 172 N -0.60 0.56 0.00 0.02 2.02 -1.93 -0.10 112.91 112.88 3fec h THR 172 Ca -0.44 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.63 3fec h THR 172 Cb 1.21 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 3fec h THR 172 CO 0.60 0.06 0.00 1.05 0.37 0.00 0.00 175.52 177.60 3fec h GLU 173 N 0.32 0.00 -0.03 6.66 9.09 -1.99 0.71 114.58 129.35 3fec h GLU 173 Ca 0.42 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.66 3fec h GLU 173 Cb 0.69 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.80 3fec h GLU 173 CO -0.47 0.00 -0.63 -0.44 0.05 0.00 0.00 179.01 177.52 3fec h ASP 174 N 0.00 0.60 -0.45 3.06 3.32 -1.39 -2.61 116.42 118.95 3fec h ASP 174 Ca 0.00 -0.73 -0.13 0.00 0.02 0.00 0.00 57.03 56.20 3fec h ASP 174 Cb 0.68 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3fec h ASP 174 CO 0.00 1.24 -0.20 -0.26 -1.72 0.00 0.00 179.24 178.30 3fec h PHE 175 N 0.02 1.10 -0.52 4.55 -1.00 -1.00 -1.92 116.94 118.16 3fec h PHE 175 Ca -0.07 -0.26 0.09 0.00 2.81 0.00 0.00 57.97 60.54 3fec h PHE 175 Cb 1.31 -0.26 -0.07 0.00 3.61 0.00 0.00 35.95 40.54 3fec h PHE 175 CO 0.13 1.07 0.10 0.74 -1.61 0.00 0.00 178.31 178.74 3fec h PHE 176 N 0.83 0.16 -0.54 -0.55 0.04 -0.95 -1.69 116.94 114.24 3fec h PHE 176 Ca 0.11 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.88 3fec h PHE 176 Cb 0.77 0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.91 3fec h PHE 176 CO 0.05 -0.02 0.21 -0.22 -0.60 0.00 0.00 178.31 177.73 3fec h LYS 177 N 0.24 0.82 -0.18 1.51 3.64 -1.26 0.12 116.57 121.45 3fec h LYS 177 Ca 0.27 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3fec h LYS 177 Cb 0.37 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3fec h LYS 177 CO -0.35 0.72 0.09 -0.07 -2.27 0.00 0.00 179.45 177.57 3fec h LEU 178 N 0.74 0.23 -0.02 5.20 3.38 -0.98 -0.94 115.31 122.91 3fec h LEU 178 Ca 0.18 -0.10 -0.25 0.00 0.09 0.00 0.00 57.88 57.80 3fec h LEU 178 Cb 0.21 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3fec h LEU 178 CO -0.01 0.26 -1.10 -0.33 0.09 0.00 0.00 178.44 177.35 3fec h GLU 179 N 0.17 0.28 0.00 1.13 5.08 -1.26 -0.75 114.58 119.23 3fec h GLU 179 Ca 0.06 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3fec h GLU 179 Cb 0.09 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3fec h GLU 179 CO -0.01 1.14 -1.61 0.54 -1.00 0.00 0.00 179.01 178.07 3fec n ARG 180 N -3.60 0.62 0.00 2.33 1.74 0.41 -4.45 116.66 113.71 3fec n ARG 180 Ca -0.07 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 3fec n ARG 180 Cb 0.94 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 3fec n ARG 180 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3fec n GLU 181 N -2.38 0.71 0.00 5.56 1.02 -0.73 -4.85 120.64 119.97 3fec n GLU 181 Ca -0.02 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.22 3fec n GLU 181 Cb 0.56 -0.79 -0.09 0.00 -0.02 0.00 0.00 31.44 31.10 3fec n GLU 181 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3fec n MET 182 N -1.85 0.17 -1.50 3.49 2.81 -0.44 -5.01 117.12 114.79 3fec n MET 182 Ca 0.00 -0.04 -0.05 0.00 -1.81 0.00 0.00 57.70 55.80 3fec n MET 182 Cb 0.29 -1.52 -0.02 0.00 -0.71 0.00 0.00 33.22 31.26 3fec n MET 182 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fec n GLY 183 N 1.43 0.55 3.57 3.03 0.00 -0.85 -5.01 105.19 107.92 3fec n GLY 183 Ca 0.02 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 3fec n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fec s ILE 184 N -2.22 4.96 -0.42 -0.61 -1.09 -0.35 -5.03 121.20 116.45 3fec s ILE 184 Ca 0.00 0.05 -0.19 0.00 -2.23 0.00 0.00 60.65 58.28 3fec s ILE 184 Cb 0.00 -3.32 0.02 0.00 -1.58 0.00 0.00 42.46 37.57 3fec s ILE 184 CO 0.00 0.32 0.53 0.21 -1.23 0.00 0.00 174.94 174.77 3fec s ASN 185 N 1.38 6.26 0.00 3.58 2.47 -1.26 -3.96 114.94 123.41 3fec s ASN 185 Ca 0.06 -0.45 0.28 0.00 0.42 0.00 0.00 52.86 53.18 3fec s ASN 185 Cb -0.15 -2.27 1.58 0.00 -1.45 0.00 0.00 41.25 38.96 3fec s ASN 185 CO 0.06 -0.64 2.03 0.00 -3.72 0.00 0.00 177.10 174.83 3fec n THR 187 N -0.75 0.47 -0.97 0.00 -1.04 -0.23 -2.27 114.28 109.48 3fec n THR 187 Ca 0.21 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 3fec n THR 187 Cb 0.14 -2.16 0.00 0.00 -1.82 0.00 0.00 70.33 66.49 3fec n THR 187 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fec n GLY 188 N 4.31 0.47 3.86 3.41 0.00 0.51 -4.87 105.19 112.89 3fec n GLY 188 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3fec n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fec s LYS 189 N -0.42 3.87 -0.13 1.61 -0.14 -0.96 -4.65 119.74 118.92 3fec s LYS 189 Ca 0.00 0.38 -0.23 0.00 -1.36 0.00 0.00 55.97 54.76 3fec s LYS 189 Cb 0.00 -2.66 -0.03 0.00 -1.68 0.00 0.00 37.83 33.46 3fec s LYS 189 CO 0.00 0.32 0.72 0.42 -0.76 0.00 0.00 175.35 176.04 3fec s ILE 190 N -1.79 5.00 0.05 2.17 1.01 -0.43 -1.16 121.20 126.05 3fec s ILE 190 Ca 0.47 1.43 0.01 0.00 0.00 0.00 0.00 60.65 62.57 3fec s ILE 190 Cb -0.12 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 3fec s ILE 190 CO 0.20 0.16 0.10 0.68 0.00 0.00 0.00 174.94 176.08 3fec s VAL 191 N 1.43 4.72 -0.12 2.92 -7.23 -0.58 -1.17 120.40 120.36 3fec s VAL 191 Ca 0.36 -0.59 0.02 0.00 -1.81 0.00 0.00 61.98 59.95 3fec s VAL 191 Cb -0.17 -3.24 -0.01 0.00 0.56 0.00 0.00 36.38 33.53 3fec s VAL 191 CO 0.15 0.21 -0.18 -0.51 -0.31 0.00 0.00 175.10 174.45 3fec s ILE 192 N -1.34 2.60 0.01 -0.62 2.07 -0.01 -0.57 121.20 123.34 3fec s ILE 192 Ca 0.28 -0.83 0.04 0.00 -1.41 0.00 0.00 60.65 58.74 3fec s ILE 192 Cb -0.12 -2.05 -0.01 0.00 0.13 0.00 0.00 42.46 40.40 3fec s ILE 192 CO 0.20 0.54 -0.14 0.00 -1.91 0.00 0.00 174.94 173.63 3fec s ALA 193 N 0.34 1.16 0.25 1.50 0.00 0.21 -1.43 121.76 123.78 3fec s ALA 193 Ca -0.14 -0.69 -0.26 0.00 0.00 0.00 0.00 51.96 50.87 3fec s ALA 193 Cb -0.17 -0.25 -0.09 0.00 0.00 0.00 0.00 23.12 22.61 3fec s ALA 193 CO 0.07 0.26 0.87 -0.98 0.00 0.00 0.00 175.76 175.98 3fec s ARG 194 N -0.65 4.58 0.67 0.00 1.70 -0.02 -1.78 118.95 123.46 3fec s ARG 194 Ca 0.04 1.24 -0.16 0.00 -0.47 0.00 0.00 55.73 56.38 3fec s ARG 194 Cb -0.06 -3.02 0.01 0.00 -0.57 0.00 0.00 34.95 31.30 3fec s ARG 194 CO 0.00 0.42 1.20 0.71 -1.08 0.00 0.00 175.30 176.55 3fec s TYR 195 N -1.40 2.23 0.00 5.89 4.12 0.55 -4.31 117.35 124.43 3fec s TYR 195 Ca 0.44 1.56 0.00 0.00 0.02 0.00 0.00 57.07 59.09 3fec s TYR 195 Cb -0.21 -3.45 0.00 0.00 -1.52 0.00 0.00 41.96 36.78 3fec s TYR 195 CO 0.26 -2.39 0.00 0.41 0.02 0.00 0.00 175.55 173.85 3fec n GLY 196 N 0.35 2.93 4.50 0.71 0.00 -1.26 -4.75 105.19 107.67 3fec n GLY 196 Ca 0.13 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.12 3fec n GLY 196 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fec n LYS 197 N -1.13 0.00 -4.11 1.61 4.76 -1.26 -4.80 118.16 113.23 3fec n LYS 197 Ca 0.00 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 3fec n LYS 197 Cb 0.00 -0.31 -0.10 0.00 -1.84 0.00 0.00 35.03 32.78 3fec n LYS 197 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3fec s ILE 198 N 0.00 0.33 0.50 -0.18 -4.36 -1.26 -4.86 121.20 111.36 3fec s ILE 198 Ca 0.00 -1.83 -0.23 0.00 -0.26 0.00 0.00 60.65 58.34 3fec s ILE 198 Cb 0.00 -1.54 -0.06 0.00 1.25 0.00 0.00 42.46 42.11 3fec s ILE 198 CO 0.00 -0.97 1.28 0.12 0.24 0.00 0.00 174.94 175.62 3fec s PHE 199 N -3.82 2.56 0.44 1.37 5.36 -1.26 -4.87 117.98 117.76 3fec s PHE 199 Ca 0.08 1.43 0.12 0.00 -0.96 0.00 0.00 56.93 57.60 3fec s PHE 199 Cb 0.07 -3.64 0.97 0.00 -0.34 0.00 0.00 43.02 40.09 3fec s PHE 199 CO -0.09 -2.31 2.02 0.07 -1.46 0.00 0.00 175.22 173.46 3fec h ARG 200 N 1.84 0.19 -0.19 10.12 0.11 -1.94 -0.79 114.38 123.71 3fec h ARG 200 Ca -0.50 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 59.54 3fec h ARG 200 Cb 1.27 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.31 3fec h ARG 200 CO 0.59 0.23 0.05 0.78 0.10 0.00 0.00 179.97 181.73 3fec h GLY 201 N 0.46 0.28 1.87 0.08 0.00 -1.78 -2.29 103.07 101.70 3fec h GLY 201 Ca 0.04 -0.13 -0.15 0.00 0.00 0.00 0.00 47.33 47.10 3fec h GLY 201 CO 0.01 0.12 -0.65 3.43 0.00 0.00 0.00 176.54 179.45 3fec h ASN 202 N 0.27 0.15 -0.78 0.19 4.21 -1.44 -1.48 115.58 116.69 3fec h ASN 202 Ca 0.07 -0.09 0.01 0.00 1.21 0.00 0.00 56.30 57.49 3fec h ASN 202 Cb 0.10 -0.04 -0.04 0.00 -1.12 0.00 0.00 38.32 37.22 3fec h ASN 202 CO -0.00 0.76 0.52 0.11 -1.29 0.00 0.00 177.43 177.52 3fec h LYS 203 N 0.09 1.03 -0.33 0.81 1.57 -1.18 0.90 116.57 119.47 3fec h LYS 203 Ca -0.01 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 3fec h LYS 203 Cb 1.16 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 3fec h LYS 203 CO 0.09 0.69 -0.14 0.28 -0.57 0.00 0.00 179.45 179.80 3fec h VAL 204 N 1.06 1.29 -0.92 0.50 2.07 -1.31 -0.79 116.25 118.15 3fec h VAL 204 Ca 0.29 -1.24 0.01 0.00 0.82 0.00 0.00 66.70 66.58 3fec h VAL 204 Cb -0.12 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 3fec h VAL 204 CO -0.06 0.40 0.61 0.50 0.02 0.00 0.00 177.57 179.04 3fec h LYS 205 N 0.45 1.21 -0.77 1.57 3.64 -1.01 -0.42 116.57 121.25 3fec h LYS 205 Ca 0.08 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3fec h LYS 205 Cb 0.66 -0.27 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 3fec h LYS 205 CO 0.04 0.80 0.38 -0.91 -2.27 0.00 0.00 179.45 177.50 3fec h ASN 206 N 1.25 1.00 -0.20 4.20 2.35 -0.67 -0.30 115.58 123.20 3fec h ASN 206 Ca 0.34 -0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.85 3fec h ASN 206 Cb -0.14 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 37.96 3fec h ASN 206 CO -0.07 0.85 -0.24 0.00 -1.65 0.00 0.00 177.43 176.31 3fec h ALA 207 N 1.19 0.95 -0.39 -0.83 0.00 -0.67 -2.51 119.26 117.01 3fec h ALA 207 Ca 0.26 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3fec h ALA 207 Cb 0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3fec h ALA 207 CO -0.03 0.61 0.25 0.52 0.00 0.00 0.00 179.25 180.59 3fec h MET 208 N 0.58 0.52 -0.07 0.00 2.86 -0.60 -2.02 114.93 116.20 3fec h MET 208 Ca 0.08 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 3fec h MET 208 Cb 0.72 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 3fec h MET 208 CO 0.06 0.37 0.05 -0.07 1.06 0.00 0.00 176.91 178.37 3fec h LEU 209 N 0.52 0.00 -0.34 1.22 3.38 -0.72 -1.98 115.31 117.39 3fec h LEU 209 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3fec h LEU 209 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3fec h LEU 209 CO -0.03 0.00 -0.08 0.00 0.09 0.00 0.00 178.44 178.42 3fec n ALA 210 N -2.49 2.73 -0.50 1.53 0.00 -0.82 -4.89 120.51 116.07 3fec n ALA 210 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3fec n ALA 210 Cb 0.16 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3fec n ALA 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fec n GLY 211 N 1.21 0.75 3.76 0.00 0.00 -0.74 -1.07 105.19 109.10 3fec n GLY 211 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3fec n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fec s ALA 212 N -2.02 2.59 -2.17 4.61 0.00 -0.83 0.19 121.76 124.14 3fec s ALA 212 Ca 0.00 0.86 0.18 0.00 0.00 0.00 0.00 51.96 53.00 3fec s ALA 212 Cb 0.00 -3.39 0.13 0.00 0.00 0.00 0.00 23.12 19.85 3fec s ALA 212 CO 0.00 -1.03 1.05 0.44 0.00 0.00 0.00 175.76 176.22 3fec n ILE 213 N -1.61 0.00 -3.55 0.00 -5.35 -0.31 -4.67 119.36 103.87 3fec n ILE 213 Ca 0.12 -0.48 -0.07 0.00 -0.27 0.00 0.00 62.75 62.06 3fec n ILE 213 Cb 0.51 1.35 -0.02 0.00 -1.74 0.00 0.00 39.64 39.74 3fec n ILE 213 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3fec s GLY 214 N -1.55 -0.40 -0.03 3.28 0.00 -1.25 -4.24 107.32 103.13 3fec s GLY 214 Ca 0.20 1.12 0.00 0.00 0.00 0.00 0.00 44.72 46.04 3fec s GLY 214 CO 0.25 0.37 0.01 -1.50 0.00 0.00 0.00 173.10 172.22 3fec s ILE 215 N -2.90 0.15 -0.19 0.90 2.07 -0.37 -1.53 121.20 119.33 3fec s ILE 215 Ca 0.07 0.12 -0.14 0.00 -1.41 0.00 0.00 60.65 59.30 3fec s ILE 215 Cb -0.01 -0.26 -0.04 0.00 0.13 0.00 0.00 42.46 42.28 3fec s ILE 215 CO -0.07 0.15 0.29 -0.63 -1.91 0.00 0.00 174.94 172.77 3fec s ILE 216 N 1.15 5.29 -0.09 2.00 1.01 0.27 -2.40 121.20 128.43 3fec s ILE 216 Ca -0.08 0.50 -0.03 0.00 0.00 0.00 0.00 60.65 61.05 3fec s ILE 216 Cb -0.13 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 3fec s ILE 216 CO -0.02 0.34 0.02 -0.76 0.00 0.00 0.00 174.94 174.52 3fec s LEU 217 N 0.84 3.69 0.08 2.97 1.43 -0.63 -0.62 118.68 126.44 3fec s LEU 217 Ca 0.15 0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 53.34 3fec s LEU 217 Cb -0.13 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.23 3fec s LEU 217 CO 0.05 0.38 0.20 -0.72 0.23 0.00 0.00 176.35 176.49 3fec s TYR 218 N -0.89 0.13 -0.50 0.29 -0.85 -0.73 -0.90 117.35 113.89 3fec s TYR 218 Ca 0.13 -0.53 -0.19 0.00 -0.52 0.00 0.00 57.07 55.96 3fec s TYR 218 Cb -0.11 -0.04 0.06 0.00 0.38 0.00 0.00 41.96 42.24 3fec s TYR 218 CO 0.02 -0.54 0.63 -1.12 -1.52 0.00 0.00 175.55 173.03 3fec s SER 219 N -2.76 6.23 0.15 -0.18 0.01 -1.22 -0.33 113.70 115.59 3fec s SER 219 Ca 0.04 -0.86 -0.30 0.00 1.31 0.00 0.00 55.95 56.13 3fec s SER 219 Cb 0.04 -2.29 -0.07 0.00 0.21 0.00 0.00 66.02 63.91 3fec s SER 219 CO -0.10 -0.89 1.04 -0.62 0.41 0.00 0.00 173.24 173.08 3fec s ASP 220 N 2.64 7.37 0.64 2.44 2.15 -1.26 -4.16 116.67 126.50 3fec s ASP 220 Ca 0.16 1.96 0.35 0.00 0.43 0.00 0.00 52.55 55.45 3fec s ASP 220 Cb -0.19 -2.60 1.96 0.00 -0.30 0.00 0.00 42.92 41.80 3fec s ASP 220 CO 0.12 -0.15 2.16 -0.65 -0.17 0.00 0.00 175.17 176.48 3fec h PRO 221 N 5.34 0.00 -0.64 4.34 0.11 -1.93 0.98 132.00 140.20 3fec h PRO 221 Ca -0.44 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.74 3fec h PRO 221 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 3fec h PRO 221 CO 0.72 0.00 0.43 0.00 -0.21 0.00 0.00 178.00 178.94 3fec h ALA 222 N 1.73 1.81 0.00 -0.75 0.00 -1.92 -1.01 119.26 119.13 3fec h ALA 222 Ca 0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3fec h ALA 222 Cb 0.34 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3fec h ALA 222 CO -0.00 0.08 -1.89 -0.25 0.00 0.00 0.00 179.25 177.18 3fec n ASP 223 N -4.48 1.05 -0.01 0.00 8.00 0.25 -4.66 116.55 116.71 3fec n ASP 223 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.60 3fec n ASP 223 Cb 0.26 1.50 0.00 0.00 -0.02 0.00 0.00 41.12 42.86 3fec n ASP 223 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3fec n TYR 224 N -2.26 0.00 -4.09 1.24 4.02 -0.65 0.53 117.16 115.96 3fec n TYR 224 Ca -0.11 -0.30 -0.32 0.00 -0.01 0.00 0.00 57.90 57.17 3fec n TYR 224 Cb 0.64 -0.03 -0.16 0.00 -0.02 0.00 0.00 39.34 39.77 3fec n TYR 224 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 3fec s PHE 225 N -0.60 2.78 0.23 -0.72 5.36 -0.39 -4.15 117.98 120.49 3fec s PHE 225 Ca 0.00 -1.74 -0.30 0.00 -0.96 0.00 0.00 56.93 53.94 3fec s PHE 225 Cb 0.00 -1.86 -0.09 0.00 -0.34 0.00 0.00 43.02 40.74 3fec s PHE 225 CO 0.00 -0.80 1.00 0.00 -1.46 0.00 0.00 175.22 173.96 3fec s ALA 226 N 1.28 3.35 0.33 11.12 0.00 -1.26 -4.79 121.76 131.79 3fec s ALA 226 Ca 0.01 0.72 -0.29 0.00 0.00 0.00 0.00 51.96 52.40 3fec s ALA 226 Cb -0.15 -3.27 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 3fec s ALA 226 CO -0.11 0.04 1.45 -1.25 0.00 0.00 0.00 175.76 175.89 3fec s PRO 227 N -1.05 4.20 -1.61 0.00 0.04 -1.26 -3.05 135.00 132.26 3fec s PRO 227 Ca 0.43 2.44 -0.16 0.00 0.04 0.00 0.00 61.00 63.75 3fec s PRO 227 Cb -0.28 -3.03 0.13 0.00 0.04 0.00 0.00 34.50 31.36 3fec s PRO 227 CO 0.35 -0.44 0.84 -0.85 0.04 0.00 0.00 177.00 176.93 3fec n GLU 228 N 1.12 -4.04 -4.61 4.56 0.00 -1.26 -5.01 120.64 111.41 3fec n GLU 228 Ca 0.03 0.46 -0.26 0.00 0.00 0.00 0.00 57.16 57.39 3fec n GLU 228 Cb 0.40 -5.26 -0.14 0.00 0.00 0.00 0.00 31.44 26.44 3fec n GLU 228 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 3fec s VAL 229 N -3.25 1.73 0.48 3.84 -7.23 -1.17 -5.13 120.40 109.65 3fec s VAL 229 Ca 0.70 -1.27 -0.20 0.00 -1.81 0.00 0.00 61.98 59.39 3fec s VAL 229 Cb -0.37 -1.51 -0.09 0.00 0.56 0.00 0.00 36.38 34.97 3fec s VAL 229 CO 0.86 0.18 1.00 -1.10 -0.31 0.00 0.00 175.10 175.73 3fec s GLN 230 N -1.30 3.93 0.53 4.82 -0.21 -1.26 -4.74 119.66 121.42 3fec s GLN 230 Ca 0.08 1.23 -0.21 0.00 0.02 0.00 0.00 55.36 56.48 3fec s GLN 230 Cb -0.09 -2.12 -0.06 0.00 1.00 0.00 0.00 33.01 31.74 3fec s GLN 230 CO 0.02 -0.30 1.18 -1.25 -2.12 0.00 0.00 175.29 172.82 3fec s PRO 231 N -3.34 3.39 0.25 2.91 0.04 -1.26 -1.62 135.00 135.37 3fec s PRO 231 Ca 0.64 1.78 -0.30 0.00 0.04 0.00 0.00 61.00 63.17 3fec s PRO 231 Cb -0.13 -2.15 -0.15 0.00 0.04 0.00 0.00 34.50 32.11 3fec s PRO 231 CO 0.19 -0.86 1.08 0.98 0.04 0.00 0.00 177.00 178.44 3fec n TYR 232 N -1.05 1.32 1.16 0.56 9.36 -0.35 -1.72 117.16 126.45 3fec n TYR 232 Ca 0.10 0.68 0.12 0.00 3.32 0.00 0.00 57.90 62.13 3fec n TYR 232 Cb 0.49 -2.27 0.27 0.00 -0.63 0.00 0.00 39.34 37.20 3fec n TYR 232 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3fec n PRO 233 N 1.16 0.77 0.11 2.98 -0.04 -1.26 -4.77 135.00 133.95 3fec n PRO 233 Ca 0.12 -0.50 -0.03 0.00 -0.04 0.00 0.00 63.50 63.04 3fec n PRO 233 Cb 0.29 -1.49 0.08 0.00 -0.04 0.00 0.00 33.50 32.35 3fec n PRO 233 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3fec h LYS 234 N 1.23 0.00 0.00 0.54 1.57 -1.64 -3.46 116.57 114.80 3fec h LYS 234 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fec h LYS 234 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3fec h LYS 234 CO 0.00 0.73 0.00 0.41 -0.57 0.00 0.00 179.45 180.02 3fec n GLY 235 N 0.59 3.94 1.62 3.86 0.00 -0.93 -4.84 105.19 109.43 3fec n GLY 235 Ca -0.01 -1.44 0.08 0.00 0.00 0.00 0.00 46.02 44.65 3fec n GLY 235 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3fec n TRP 236 N 0.00 1.64 -2.73 1.61 4.27 -1.05 -2.00 117.44 119.18 3fec n TRP 236 Ca 0.00 -0.67 -0.25 0.00 -3.89 0.00 0.00 57.50 52.68 3fec n TRP 236 Cb 0.00 -0.34 0.01 0.00 -1.36 0.00 0.00 31.31 29.62 3fec n TRP 236 CO 0.00 0.00 0.00 -0.80 -2.29 0.00 0.00 177.69 174.60 3fec s ASN 237 N -0.95 5.91 -0.10 -0.67 0.01 -0.64 -4.43 114.94 114.07 3fec s ASN 237 Ca 0.51 0.61 -0.30 0.00 -0.71 0.00 0.00 52.86 52.98 3fec s ASN 237 Cb 0.36 -1.82 -0.03 0.00 0.41 0.00 0.00 41.25 40.16 3fec s ASN 237 CO 0.20 -0.75 1.36 -0.22 -1.51 0.00 0.00 177.10 176.18 3fec s LEU 238 N -4.73 4.24 0.64 0.60 2.96 -1.26 -1.21 118.68 119.93 3fec s LEU 238 Ca 0.49 1.89 -0.14 0.00 -0.22 0.00 0.00 54.13 56.15 3fec s LEU 238 Cb -0.10 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 3fec s LEU 238 CO 0.42 -0.76 1.07 -2.84 -1.32 0.00 0.00 176.35 172.91 3fec s PRO 239 N 3.25 3.08 0.02 0.98 0.02 -1.26 -4.85 135.00 136.24 3fec s PRO 239 Ca 0.60 1.16 0.11 0.00 0.02 0.00 0.00 61.00 62.90 3fec s PRO 239 Cb -0.26 -2.00 0.48 0.00 0.02 0.00 0.00 34.50 32.74 3fec s PRO 239 CO 0.21 -1.00 1.36 0.41 -0.33 0.00 0.00 177.00 177.65 3fec n GLY 240 N -1.19 -0.88 0.01 0.52 0.00 -1.26 -2.62 105.19 99.78 3fec n GLY 240 Ca 0.09 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.20 3fec n GLY 240 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fec n THR 241 N -1.56 0.00 -3.94 2.61 -2.24 -1.26 -1.28 114.28 106.61 3fec n THR 241 Ca 0.02 -0.01 -0.35 0.00 -2.27 0.00 0.00 64.05 61.45 3fec n THR 241 Cb 0.12 0.41 -0.09 0.00 -2.10 0.00 0.00 70.33 68.68 3fec n THR 241 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fec s ALA 242 N -2.98 3.54 0.08 6.98 0.00 -1.08 -4.65 121.76 123.64 3fec s ALA 242 Ca 0.11 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.39 3fec s ALA 242 Cb 0.17 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 3fec s ALA 242 CO 0.73 0.26 0.00 0.00 0.00 0.00 0.00 175.76 176.75 3fec s ALA 243 N 0.09 3.30 -0.30 0.00 0.00 -1.26 -4.18 121.76 119.41 3fec s ALA 243 Ca 0.07 -1.09 -0.24 0.00 0.00 0.00 0.00 51.96 50.70 3fec s ALA 243 Cb -0.12 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.78 3fec s ALA 243 CO 0.00 0.70 0.81 -1.14 0.00 0.00 0.00 175.76 176.13 3fec s GLN 244 N -2.19 3.98 0.80 0.00 0.74 -1.26 -4.47 119.66 117.26 3fec s GLN 244 Ca 0.25 0.64 -0.12 0.00 0.05 0.00 0.00 55.36 56.19 3fec s GLN 244 Cb -0.12 -3.72 0.07 0.00 1.10 0.00 0.00 33.01 30.34 3fec s GLN 244 CO 0.17 -0.69 1.11 1.03 -0.55 0.00 0.00 175.29 176.37 3fec s ARG 245 N 3.00 2.06 0.00 1.67 0.52 -0.44 -4.80 118.95 120.96 3fec s ARG 245 Ca 0.33 0.48 0.00 0.00 -0.52 0.00 0.00 55.73 56.03 3fec s ARG 245 Cb -0.14 -1.93 0.00 0.00 0.52 0.00 0.00 34.95 33.40 3fec s ARG 245 CO 0.12 -1.60 0.00 0.41 0.02 0.00 0.00 175.30 174.25 3fec n GLY 246 N -2.43 3.65 3.79 -3.53 0.00 -1.23 -4.86 105.19 100.59 3fec n GLY 246 Ca 0.07 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 3fec n GLY 246 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fec s ASN 247 N 0.00 5.82 -0.19 1.61 2.20 -1.25 -2.94 114.94 120.18 3fec s ASN 247 Ca 0.00 1.91 0.13 0.00 -0.94 0.00 0.00 52.86 53.96 3fec s ASN 247 Cb 0.00 -2.55 0.40 0.00 -2.00 0.00 0.00 41.25 37.10 3fec s ASN 247 CO 0.00 -1.14 1.21 1.33 -2.94 0.00 0.00 177.10 175.55 3fec n VAL 248 N -1.75 2.04 -1.94 3.54 0.24 -0.61 -4.37 118.33 115.48 3fec n VAL 248 Ca 0.09 -2.98 -0.32 0.00 -2.04 0.00 0.00 64.34 59.09 3fec n VAL 248 Cb 0.52 -0.17 0.02 0.00 -1.47 0.00 0.00 33.84 32.74 3fec n VAL 248 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3fec s LEU 249 N -3.01 3.42 -0.76 1.34 1.43 -1.26 -4.56 118.68 115.28 3fec s LEU 249 Ca 0.37 1.78 0.03 0.00 -1.03 0.00 0.00 54.13 55.28 3fec s LEU 249 Cb 0.36 -4.53 0.20 0.00 0.03 0.00 0.00 46.19 42.25 3fec s LEU 249 CO -0.06 -1.23 0.64 0.59 0.23 0.00 0.00 176.35 176.52 3fec n ASN 250 N -2.26 3.55 0.11 2.29 3.02 -0.36 -4.47 115.26 117.13 3fec n ASN 250 Ca 0.08 -3.24 0.00 0.00 -0.03 0.00 0.00 54.58 51.40 3fec n ASN 250 Cb 0.53 -0.83 -0.02 0.00 -0.61 0.00 0.00 39.78 38.85 3fec n ASN 250 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3fec h LEU 251 N 5.34 0.00 -1.39 3.41 3.38 -1.86 -3.35 115.31 120.84 3fec h LEU 251 Ca 0.16 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.62 3fec h LEU 251 Cb 0.75 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.39 3fec h LEU 251 CO 0.79 0.61 -0.84 0.59 0.09 0.00 0.00 178.44 179.69 3fec n ASN 252 N -3.21 -2.44 0.00 -0.43 3.02 -1.26 -1.74 115.26 109.21 3fec n ASN 252 Ca -0.00 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 3fec n ASN 252 Cb 0.79 -3.13 0.00 0.00 -0.61 0.00 0.00 39.78 36.83 3fec n ASN 252 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fec n GLY 253 N -1.67 0.78 0.22 7.41 0.00 -1.26 -4.23 105.19 106.44 3fec n GLY 253 Ca -0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.02 3fec n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fec h ALA 254 N 0.00 1.11 0.00 4.61 0.00 -1.69 -3.47 119.26 119.81 3fec h ALA 254 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3fec h ALA 254 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3fec h ALA 254 CO 0.00 0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.98 3fec n GLY 255 N -0.09 -0.47 3.61 0.00 0.00 -1.26 -4.34 105.19 102.64 3fec n GLY 255 Ca -0.01 -1.32 -0.52 0.00 0.00 0.00 0.00 46.02 44.17 3fec n GLY 255 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3fec n ASP 256 N 0.65 1.89 0.23 1.61 2.03 -1.26 -4.82 116.55 116.87 3fec n ASP 256 Ca 0.00 1.11 0.18 0.00 0.52 0.00 0.00 54.79 56.59 3fec n ASP 256 Cb 0.00 -1.21 0.86 0.00 -0.72 0.00 0.00 41.12 40.06 3fec n ASP 256 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3fec h PRO 257 N 5.08 0.00 0.00 -0.67 0.11 -1.87 -2.58 132.00 132.07 3fec h PRO 257 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3fec h PRO 257 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3fec h PRO 257 CO 0.81 0.00 -0.71 1.28 -0.21 0.00 0.00 178.00 179.17 3fec n LEU 258 N -3.64 0.65 -2.61 2.35 4.77 -1.26 -1.13 117.00 116.13 3fec n LEU 258 Ca 0.01 -0.13 -0.13 0.00 -0.03 0.00 0.00 56.01 55.73 3fec n LEU 258 Cb 0.31 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.27 3fec n LEU 258 CO 0.25 0.14 -0.03 0.35 -1.33 0.00 0.00 177.39 176.78 3fec n THR 259 N -1.58 1.40 -1.71 -5.08 -2.24 -0.97 -1.19 114.28 102.91 3fec n THR 259 Ca 0.05 -3.52 -0.43 0.00 -2.27 0.00 0.00 64.05 57.88 3fec n THR 259 Cb 0.35 0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.77 3fec n THR 259 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3fec n PRO 260 N -0.24 2.71 0.00 -0.78 -0.04 -1.25 -2.05 135.00 133.35 3fec n PRO 260 Ca 0.17 0.98 0.00 0.00 -0.04 0.00 0.00 63.50 64.61 3fec n PRO 260 Cb 0.79 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 3fec n PRO 260 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fec n GLY 261 N 3.94 3.46 2.97 0.55 0.00 -1.26 -5.04 105.19 109.81 3fec n GLY 261 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 3fec n GLY 261 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fec s TYR 262 N -2.89 0.28 0.47 1.61 2.02 -0.87 -4.96 117.35 113.02 3fec s TYR 262 Ca 0.00 -0.38 -0.23 0.00 -0.37 0.00 0.00 57.07 56.09 3fec s TYR 262 Cb 0.00 -0.19 -0.07 0.00 -0.40 0.00 0.00 41.96 41.30 3fec s TYR 262 CO 0.00 -0.12 1.17 -1.25 -1.57 0.00 0.00 175.55 173.78 3fec s PRO 263 N -1.08 3.70 -1.28 -1.71 0.04 -1.26 -4.82 135.00 128.60 3fec s PRO 263 Ca -0.10 1.78 -0.13 0.00 0.04 0.00 0.00 61.00 62.59 3fec s PRO 263 Cb -0.07 -2.37 0.13 0.00 0.04 0.00 0.00 34.50 32.23 3fec s PRO 263 CO -0.01 -0.60 1.72 0.00 0.04 0.00 0.00 177.00 178.15 3fec n ALA 264 N -0.56 4.42 -2.47 8.56 0.00 -1.26 -4.85 120.51 124.35 3fec n ALA 264 Ca 0.08 -4.14 -0.23 0.00 0.00 0.00 0.00 53.44 49.15 3fec n ALA 264 Cb 0.48 -3.21 0.14 0.00 0.00 0.00 0.00 19.45 16.86 3fec n ALA 264 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3fec n LYS 265 N 5.78 -0.38 0.06 0.00 4.76 -1.26 -1.84 118.16 125.28 3fec n LYS 265 Ca 0.42 -2.62 -0.02 0.00 -2.87 0.00 0.00 58.31 53.22 3fec n LYS 265 Cb 0.41 -0.83 0.23 0.00 -1.84 0.00 0.00 35.03 33.00 3fec n LYS 265 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3fec h GLU 266 N 0.00 0.34 -0.00 1.97 3.07 -1.95 -2.83 114.58 115.18 3fec h GLU 266 Ca -0.36 -0.14 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 3fec h GLU 266 Cb 1.23 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 3fec h GLU 266 CO 0.35 0.63 -0.27 2.48 -1.40 0.00 0.00 179.01 180.80 3fec n TYR 267 N -4.09 0.00 -2.27 4.33 0.18 -1.26 -4.97 117.16 109.08 3fec n TYR 267 Ca -0.01 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.36 3fec n TYR 267 Cb 0.43 -0.30 -0.03 0.00 -0.38 0.00 0.00 39.34 39.06 3fec n TYR 267 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 3fec s THR 268 N -2.87 3.15 0.32 -3.48 2.01 -1.07 -4.96 115.64 108.75 3fec s THR 268 Ca 0.16 1.07 -0.29 0.00 0.31 0.00 0.00 61.69 62.94 3fec s THR 268 Cb 0.19 -3.68 -0.12 0.00 0.01 0.00 0.00 72.50 68.90 3fec s THR 268 CO 0.60 0.22 1.52 0.33 -0.69 0.00 0.00 174.62 176.60 3fec n PHE 269 N 1.62 2.79 -5.04 4.92 -0.00 -1.26 -4.94 117.46 115.55 3fec n PHE 269 Ca 0.02 0.35 -0.28 0.00 -0.00 0.00 0.00 57.45 57.54 3fec n PHE 269 Cb 0.43 -2.55 -0.16 0.00 -0.00 0.00 0.00 39.48 37.20 3fec n PHE 269 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3fec s ARG 270 N -1.11 2.02 0.63 -4.13 0.52 -1.26 -4.71 118.95 110.91 3fec s ARG 270 Ca 0.60 -0.75 -0.18 0.00 -0.52 0.00 0.00 55.73 54.88 3fec s ARG 270 Cb -0.51 -1.79 -0.03 0.00 0.52 0.00 0.00 34.95 33.14 3fec s ARG 270 CO 0.54 0.35 1.04 1.28 0.02 0.00 0.00 175.30 178.54 3fec n LEU 271 N 2.91 4.32 -4.75 2.53 4.77 -0.33 -4.95 117.00 121.49 3fec n LEU 271 Ca -0.17 0.80 -0.39 0.00 -0.03 0.00 0.00 56.01 56.22 3fec n LEU 271 Cb 0.52 -1.43 0.03 0.00 -2.33 0.00 0.00 43.42 40.22 3fec n LEU 271 CO 0.25 -1.67 1.00 -1.81 -1.33 0.00 0.00 177.39 173.82 3fec s ASP 272 N -1.32 5.46 0.35 -1.43 1.01 -1.26 -4.85 116.67 114.64 3fec s ASP 272 Ca 0.78 2.78 0.05 0.00 0.71 0.00 0.00 52.55 56.88 3fec s ASP 272 Cb -0.40 -2.64 0.72 0.00 1.01 0.00 0.00 42.92 41.61 3fec s ASP 272 CO 0.45 -1.44 1.95 0.58 0.21 0.00 0.00 175.17 176.92 3fec h VAL 273 N 1.68 1.02 -0.01 -1.27 2.07 -1.99 0.21 116.25 117.96 3fec h VAL 273 Ca -0.51 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3fec h VAL 273 Cb 1.29 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3fec h VAL 273 CO 0.58 0.14 0.03 -0.33 0.02 0.00 0.00 177.57 178.02 3fec h GLU 274 N 0.78 0.00 -0.32 1.57 3.07 -2.03 -1.07 114.58 116.59 3fec h GLU 274 Ca 0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.18 3fec h GLU 274 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 3fec h GLU 274 CO -0.11 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.89 3fec n GLU 275 N -3.28 2.21 -1.61 2.33 1.02 0.70 -5.02 120.64 117.00 3fec n GLU 275 Ca -0.03 -2.02 -0.48 0.00 -0.02 0.00 0.00 57.16 54.62 3fec n GLU 275 Cb 0.11 -1.39 -0.04 0.00 -0.02 0.00 0.00 31.44 30.10 3fec n GLU 275 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fec n GLY 276 N 1.08 0.37 3.71 0.62 0.00 -0.41 -4.85 105.19 105.71 3fec n GLY 276 Ca 0.15 0.55 -0.42 0.00 0.00 0.00 0.00 46.02 46.30 3fec n GLY 276 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fec s VAL 277 N -0.01 2.27 0.00 1.61 1.01 -0.28 -3.13 120.40 121.87 3fec s VAL 277 Ca 0.73 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.85 3fec s VAL 277 Cb -0.79 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3fec s VAL 277 CO 0.50 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3fec n GLY 278 N 3.97 0.63 3.70 4.51 0.00 -1.26 -4.62 105.19 112.12 3fec n GLY 278 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3fec n GLY 278 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fec s ILE 279 N -2.65 4.36 0.76 -0.61 1.01 -1.18 -1.23 121.20 121.66 3fec s ILE 279 Ca 0.00 1.68 -0.11 0.00 0.00 0.00 0.00 60.65 62.22 3fec s ILE 279 Cb 0.00 -4.08 0.05 0.00 0.01 0.00 0.00 42.46 38.44 3fec s ILE 279 CO 0.00 0.06 1.09 -2.16 0.00 0.00 0.00 174.94 173.94 3fec s PRO 280 N 1.61 2.36 -0.02 2.79 0.04 -1.26 -4.98 135.00 135.54 3fec s PRO 280 Ca 0.55 0.64 0.06 0.00 0.04 0.00 0.00 61.00 62.29 3fec s PRO 280 Cb -0.25 -1.95 0.14 0.00 0.04 0.00 0.00 34.50 32.48 3fec s PRO 280 CO 0.25 -1.43 1.10 0.54 0.04 0.00 0.00 177.00 177.51 3fec n ARG 281 N -3.30 2.78 -4.26 4.56 1.74 -1.26 -4.11 116.66 112.81 3fec n ARG 281 Ca 0.07 -1.82 -0.16 0.00 -0.77 0.00 0.00 57.85 55.17 3fec n ARG 281 Cb 0.56 -1.16 -0.10 0.00 -1.02 0.00 0.00 32.46 30.73 3fec n ARG 281 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3fec s ILE 282 N -1.29 1.30 0.49 0.55 -4.36 -1.26 -4.90 121.20 111.74 3fec s ILE 282 Ca 0.11 -1.95 -0.21 0.00 -0.26 0.00 0.00 60.65 58.34 3fec s ILE 282 Cb 0.08 -1.74 -0.07 0.00 1.25 0.00 0.00 42.46 41.98 3fec s ILE 282 CO 0.05 -0.60 1.14 -2.84 0.24 0.00 0.00 174.94 172.92 3fec s PRO 283 N -3.32 3.61 -0.03 0.37 0.02 -1.26 -2.74 135.00 131.65 3fec s PRO 283 Ca 0.14 1.68 -0.02 0.00 0.02 0.00 0.00 61.00 62.82 3fec s PRO 283 Cb -0.01 -2.23 0.02 0.00 0.02 0.00 0.00 34.50 32.30 3fec s PRO 283 CO 0.02 -0.65 0.07 0.08 -0.33 0.00 0.00 177.00 176.19 3fec s VAL 284 N -1.66 -0.03 -0.08 3.83 1.01 -1.26 -1.23 120.40 120.98 3fec s VAL 284 Ca 0.67 0.10 -0.17 0.00 0.00 0.00 0.00 61.98 62.59 3fec s VAL 284 Cb -0.26 -0.12 0.04 0.00 0.00 0.00 0.00 36.38 36.04 3fec s VAL 284 CO 0.30 0.04 0.40 -2.28 0.00 0.00 0.00 175.10 173.56 3fec s HIS 285 N 0.59 -0.35 -0.00 5.22 5.04 -1.01 -4.34 115.29 120.44 3fec s HIS 285 Ca -0.05 0.72 0.01 0.00 -1.54 0.00 0.00 55.06 54.20 3fec s HIS 285 Cb -0.06 0.16 -0.04 0.00 0.04 0.00 0.00 32.58 32.68 3fec s HIS 285 CO -0.02 -0.35 0.00 -1.25 -2.34 0.00 0.00 174.74 170.78 3fec s PRO 286 N -0.69 2.79 0.12 2.88 0.04 -1.26 -1.60 135.00 137.28 3fec s PRO 286 Ca -0.08 -0.61 0.03 0.00 0.04 0.00 0.00 61.00 60.38 3fec s PRO 286 Cb -0.04 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 3fec s PRO 286 CO 0.03 0.62 -0.08 0.96 0.04 0.00 0.00 177.00 178.58 3fec s ILE 287 N -1.09 0.89 0.82 0.56 -4.36 -0.08 -4.79 121.20 113.15 3fec s ILE 287 Ca 0.20 -1.99 -0.10 0.00 -0.26 0.00 0.00 60.65 58.49 3fec s ILE 287 Cb -0.12 -1.77 0.12 0.00 1.25 0.00 0.00 42.46 41.95 3fec s ILE 287 CO 0.10 -0.81 1.15 -0.83 0.24 0.00 0.00 174.94 174.80 3fec s GLY 288 N -3.10 1.71 0.43 6.27 0.00 -1.26 -3.46 107.32 107.92 3fec s GLY 288 Ca 0.14 -1.08 0.24 0.00 0.00 0.00 0.00 44.72 44.02 3fec s GLY 288 CO -0.02 -0.51 1.72 0.10 0.00 0.00 0.00 173.10 174.38 3fec h TYR 289 N -1.04 0.00 -0.43 1.90 -0.00 -1.66 -1.39 116.97 114.35 3fec h TYR 289 Ca -0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.27 3fec h TYR 289 Cb 1.28 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.99 3fec h TYR 289 CO -0.26 0.15 0.19 -0.91 -0.00 0.00 0.00 178.16 177.33 3fec h ASN 290 N 0.00 0.59 -0.56 0.10 2.35 -1.55 -0.51 115.58 116.00 3fec h ASN 290 Ca -0.00 -0.15 -0.10 0.00 -0.55 0.00 0.00 56.30 55.49 3fec h ASN 290 Cb 0.90 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 3fec h ASN 290 CO 0.02 0.58 -0.04 0.44 -1.65 0.00 0.00 177.43 176.78 3fec h ASP 291 N 0.56 1.00 -0.74 5.81 3.32 -1.71 -3.03 116.42 121.62 3fec h ASP 291 Ca 0.15 -0.32 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 3fec h ASP 291 Cb 0.17 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 3fec h ASP 291 CO -0.01 1.09 0.37 0.00 -1.72 0.00 0.00 179.24 178.96 3fec h ALA 292 N 0.95 1.22 -0.72 3.45 0.00 -1.09 -2.22 119.26 120.86 3fec h ALA 292 Ca 0.15 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3fec h ALA 292 Cb 0.60 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 3fec h ALA 292 CO 0.04 0.60 0.41 1.49 0.00 0.00 0.00 179.25 181.78 3fec h GLU 293 N 1.07 0.72 -0.71 0.00 4.81 -0.97 0.61 114.58 120.12 3fec h GLU 293 Ca 0.26 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3fec h GLU 293 Cb 0.10 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 3fec h GLU 293 CO -0.03 0.47 0.36 0.82 -0.73 0.00 0.00 179.01 179.90 3fec h ILE 294 N 0.74 1.23 -0.27 2.32 2.04 -1.35 -1.40 117.51 120.82 3fec h ILE 294 Ca 0.33 -0.61 -0.14 0.00 1.00 0.00 0.00 64.86 65.44 3fec h ILE 294 Cb 0.21 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3fec h ILE 294 CO -0.19 0.26 -0.40 -0.07 0.00 0.00 0.00 178.15 177.74 3fec h LEU 295 N 0.99 0.67 -0.03 1.44 3.38 -0.91 -3.26 115.31 117.58 3fec h LEU 295 Ca 0.25 -0.30 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 3fec h LEU 295 Cb 0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3fec h LEU 295 CO -0.04 0.99 -0.58 -0.07 0.09 0.00 0.00 178.44 178.84 3fec h LEU 296 N 0.52 0.00 -0.67 1.67 3.38 -0.71 -3.40 115.31 116.10 3fec h LEU 296 Ca 0.04 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.10 3fec h LEU 296 Cb 0.92 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.60 3fec h LEU 296 CO 0.08 0.58 0.31 -0.09 0.09 0.00 0.00 178.44 179.41 3fec h ARG 297 N 0.00 0.52 -0.47 1.13 2.43 -1.30 -2.33 114.38 114.35 3fec h ARG 297 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3fec h ARG 297 Cb 1.43 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3fec h ARG 297 CO 0.08 0.34 0.00 0.66 -1.51 0.00 0.00 179.97 179.54 3fec n TYR 298 N -4.91 1.42 -1.73 2.20 4.01 -1.26 -4.66 117.16 112.24 3fec n TYR 298 Ca 0.10 -0.73 -0.42 0.00 -0.16 0.00 0.00 57.90 56.69 3fec n TYR 298 Cb 0.27 -0.34 -0.01 0.00 -0.31 0.00 0.00 39.34 38.94 3fec n TYR 298 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3fec n LEU 299 N 0.37 4.07 0.00 7.72 4.77 -0.88 -0.04 117.00 133.01 3fec n LEU 299 Ca 0.24 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.40 3fec n LEU 299 Cb 0.96 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 3fec n LEU 299 CO 0.23 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 3fec n GLY 300 N 1.44 3.52 7.00 -0.72 0.00 -0.27 -4.66 105.19 111.50 3fec n GLY 300 Ca 0.06 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.30 3fec n GLY 300 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fec n GLY 301 N 5.00 0.99 3.77 -0.02 0.00 -1.26 -0.77 105.19 112.90 3fec n GLY 301 Ca 0.00 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 3fec n GLY 301 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3fec s ILE 302 N 0.00 3.47 0.77 -0.61 -4.36 -1.24 -4.83 121.20 114.41 3fec s ILE 302 Ca 0.00 1.25 -0.13 0.00 -0.26 0.00 0.00 60.65 61.50 3fec s ILE 302 Cb 0.00 -3.70 0.06 0.00 1.25 0.00 0.00 42.46 40.07 3fec s ILE 302 CO 0.00 0.12 1.17 0.00 0.24 0.00 0.00 174.94 176.47 3fec s ALA 303 N -1.45 2.01 0.30 2.27 0.00 -1.26 -1.09 121.76 122.53 3fec s ALA 303 Ca 0.54 0.71 -0.29 0.00 0.00 0.00 0.00 51.96 52.92 3fec s ALA 303 Cb -0.27 -3.43 -0.13 0.00 0.00 0.00 0.00 23.12 19.29 3fec s ALA 303 CO 0.35 -2.03 1.28 -0.35 0.00 0.00 0.00 175.76 175.01 3fec n PRO 304 N -3.16 1.96 0.16 0.00 -0.04 -1.23 -4.68 135.00 128.01 3fec n PRO 304 Ca 0.12 0.69 0.03 0.00 -0.04 0.00 0.00 63.50 64.30 3fec n PRO 304 Cb 0.51 -2.26 0.21 0.00 -0.04 0.00 0.00 33.50 31.92 3fec n PRO 304 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3fec h PRO 305 N 3.02 0.00 -2.65 0.54 0.13 -1.91 -3.46 132.00 127.67 3fec h PRO 305 Ca -0.45 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.80 3fec h PRO 305 Cb 1.29 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 3fec h PRO 305 CO 0.67 0.48 0.41 0.16 -0.23 0.00 0.00 178.00 179.49 3fec s ASP 306 N -6.51 -0.13 0.64 1.44 1.47 -1.26 -5.04 116.67 107.29 3fec s ASP 306 Ca 0.01 -0.64 0.38 0.00 1.18 0.00 0.00 52.55 53.48 3fec s ASP 306 Cb 0.10 0.61 2.13 0.00 -0.34 0.00 0.00 42.92 45.43 3fec s ASP 306 CO 0.72 -1.17 2.27 0.11 0.68 0.00 0.00 175.17 177.78 3fec h LYS 307 N 2.00 0.00 0.00 2.11 1.57 -1.94 -1.74 116.57 118.56 3fec h LYS 307 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3fec h LYS 307 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3fec h LYS 307 CO 0.30 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.05 3fec n SER 308 N -3.31 0.00 -0.08 0.86 3.41 -1.26 -1.69 113.62 111.55 3fec n SER 308 Ca -0.02 0.22 0.10 0.00 -0.26 0.00 0.00 58.87 58.91 3fec n SER 308 Cb 0.13 -0.38 -0.09 0.00 -0.26 0.00 0.00 64.21 63.61 3fec n SER 308 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3fec n TRP 309 N -1.38 0.00 -3.61 7.33 7.02 -0.66 -4.95 117.44 121.20 3fec n TRP 309 Ca 0.07 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.17 3fec n TRP 309 Cb 0.18 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 28.95 3fec n TRP 309 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 3fec s LYS 310 N -2.79 3.69 0.00 -0.99 2.20 -0.68 -4.90 119.74 116.26 3fec s LYS 310 Ca 0.09 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.21 3fec s LYS 310 Cb 0.15 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 3fec s LYS 310 CO 0.77 -0.29 0.00 0.41 -0.36 0.00 0.00 175.35 175.88 3fec n GLY 311 N 5.04 0.74 0.40 5.54 0.00 -1.26 -5.00 105.19 110.64 3fec n GLY 311 Ca -0.14 -1.63 0.06 0.00 0.00 0.00 0.00 46.02 44.32 3fec n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fec n ALA 312 N -3.00 2.77 -1.42 4.61 0.00 -1.26 -4.94 120.51 117.27 3fec n ALA 312 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 53.44 52.60 3fec n ALA 312 Cb 0.00 -0.45 0.11 0.00 0.00 0.00 0.00 19.45 19.10 3fec n ALA 312 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fec s LEU 313 N -1.51 2.51 -1.19 0.00 1.43 -1.26 -4.91 118.68 113.75 3fec s LEU 313 Ca 0.13 1.39 -0.07 0.00 -1.03 0.00 0.00 54.13 54.56 3fec s LEU 313 Cb 0.11 -3.95 0.02 0.00 0.03 0.00 0.00 46.19 42.40 3fec s LEU 313 CO 0.26 -2.19 2.71 -3.20 0.23 0.00 0.00 176.35 174.15 3fec n ASN 314 N -3.59 7.84 -4.22 2.29 5.15 -1.26 -4.83 115.26 116.64 3fec n ASN 314 Ca 0.07 -2.93 -0.13 0.00 -0.60 0.00 0.00 54.58 51.00 3fec n ASN 314 Cb 0.56 -1.41 -0.10 0.00 -0.53 0.00 0.00 39.78 38.30 3fec n ASN 314 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3fec s VAL 315 N -0.13 0.17 0.04 3.44 -7.23 -1.26 -5.03 120.40 110.40 3fec s VAL 315 Ca 0.61 -1.99 0.15 0.00 -1.81 0.00 0.00 61.98 58.94 3fec s VAL 315 Cb 0.22 -2.44 0.05 0.00 0.56 0.00 0.00 36.38 34.76 3fec s VAL 315 CO -0.09 -0.09 1.55 0.77 -0.31 0.00 0.00 175.10 176.92 3fec h SER 316 N 2.61 0.00 -1.62 4.85 4.64 -1.86 -3.47 113.55 118.70 3fec h SER 316 Ca -0.36 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.66 3fec h SER 316 Cb 1.24 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.28 3fec h SER 316 CO 0.56 0.53 -0.34 -1.22 -0.87 0.00 0.00 176.83 175.49 3fec n TYR 317 N -3.40 -0.46 -1.00 4.77 4.01 -1.26 -4.54 117.16 115.28 3fec n TYR 317 Ca 0.01 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.43 3fec n TYR 317 Cb 0.67 -2.95 0.13 0.00 -0.31 0.00 0.00 39.34 36.89 3fec n TYR 317 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3fec s SER 318 N -2.51 3.50 0.03 7.72 0.01 -1.26 -3.50 113.70 117.69 3fec s SER 318 Ca 0.00 2.22 0.16 0.00 1.31 0.00 0.00 55.95 59.63 3fec s SER 318 Cb 0.00 -2.57 -0.16 0.00 0.21 0.00 0.00 66.02 63.50 3fec s SER 318 CO 0.00 -2.72 0.78 -0.38 0.41 0.00 0.00 173.24 171.33 3fec n ILE 319 N -3.65 1.32 -3.56 1.44 2.08 -0.25 -4.65 119.36 112.08 3fec n ILE 319 Ca 0.12 -0.72 0.00 0.00 0.56 0.00 0.00 62.75 62.71 3fec n ILE 319 Cb 0.51 -0.83 0.00 0.00 -0.75 0.00 0.00 39.64 38.57 3fec n ILE 319 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3fec n GLY 320 N 1.44 -1.07 3.75 7.39 0.00 0.05 -1.08 105.19 115.67 3fec n GLY 320 Ca -0.12 -1.31 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 3fec n GLY 320 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fec s PRO 321 N 0.00 2.62 0.00 1.61 0.04 -1.26 -3.62 135.00 134.39 3fec s PRO 321 Ca 0.00 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.71 3fec s PRO 321 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 3fec s PRO 321 CO 0.00 -1.44 0.00 0.41 0.04 0.00 0.00 177.00 176.01 3fec n GLY 322 N 0.16 -1.11 3.76 0.56 0.00 -0.85 -4.55 105.19 103.17 3fec n GLY 322 Ca 0.13 -1.63 -0.24 0.00 0.00 0.00 0.00 46.02 44.27 3fec n GLY 322 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fec s PHE 323 N -1.74 3.02 0.01 1.61 2.99 -1.26 -1.11 117.98 121.50 3fec s PHE 323 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 56.93 56.79 3fec s PHE 323 Cb 0.00 -1.40 -0.01 0.00 0.00 0.00 0.00 43.02 41.61 3fec s PHE 323 CO 0.00 0.53 0.05 -0.08 -0.00 0.00 0.00 175.22 175.72 3fec s THR 324 N -1.98 0.10 0.00 0.64 -1.32 0.94 -4.69 115.64 109.32 3fec s THR 324 Ca 0.31 -0.83 0.00 0.00 -1.21 0.00 0.00 61.69 59.96 3fec s THR 324 Cb -0.09 -0.36 0.00 0.00 -1.51 0.00 0.00 72.50 70.55 3fec s THR 324 CO 0.23 -0.45 0.00 0.61 -2.21 0.00 0.00 174.62 172.79 3fec n GLY 325 N 1.50 0.50 0.00 6.08 0.00 -1.26 -4.75 105.19 107.26 3fec n GLY 325 Ca -0.23 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3fec n GLY 325 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3fec n SER 326 N 0.29 0.00 0.00 1.61 2.88 -1.26 -5.09 113.62 112.05 3fec n SER 326 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3fec n SER 326 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3fec n SER 326 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3fec n SER 328 N 0.00 0.00 -4.63 -3.46 7.64 -1.26 -4.99 113.62 106.92 3fec n SER 328 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 3fec n SER 328 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 3fec n SER 328 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3fec s PHE 329 N -0.51 3.17 0.00 1.43 0.40 -1.26 -3.33 117.98 117.88 3fec s PHE 329 Ca 0.00 1.11 0.00 0.00 -0.60 0.00 0.00 56.93 57.44 3fec s PHE 329 Cb 0.00 -3.56 0.00 0.00 0.51 0.00 0.00 43.02 39.97 3fec s PHE 329 CO 0.00 -0.71 0.00 0.54 0.70 0.00 0.00 175.22 175.75 3fec n ARG 330 N 6.69 0.00 -4.10 0.44 5.12 -0.45 -4.77 116.66 119.59 3fec n ARG 330 Ca 0.10 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.91 3fec n ARG 330 Cb 0.47 -0.43 -0.11 0.00 -1.16 0.00 0.00 32.46 31.24 3fec n ARG 330 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3fec s LYS 331 N -1.96 0.64 -0.05 5.56 -0.14 -0.54 -4.72 119.74 118.53 3fec s LYS 331 Ca 0.00 -1.03 -0.01 0.00 -1.36 0.00 0.00 55.97 53.56 3fec s LYS 331 Cb 0.00 -0.16 -0.04 0.00 -1.68 0.00 0.00 37.83 35.96 3fec s LYS 331 CO 0.00 -0.01 0.03 0.54 -0.76 0.00 0.00 175.35 175.16 3fec s VAL 332 N -2.60 4.49 0.02 3.17 0.11 -0.35 -1.12 120.40 124.11 3fec s VAL 332 Ca 0.00 -0.31 0.08 0.00 -2.93 0.00 0.00 61.98 58.82 3fec s VAL 332 Cb -0.02 -2.95 -0.02 0.00 -1.53 0.00 0.00 36.38 31.86 3fec s VAL 332 CO -0.03 0.50 -0.24 -0.13 -3.33 0.00 0.00 175.10 171.87 3fec s ARG 333 N -1.23 1.76 0.18 1.54 0.52 0.38 -1.08 118.95 121.01 3fec s ARG 333 Ca 0.17 -0.95 0.07 0.00 -0.52 0.00 0.00 55.73 54.49 3fec s ARG 333 Cb -0.12 -1.81 -0.04 0.00 0.52 0.00 0.00 34.95 33.50 3fec s ARG 333 CO 0.07 0.48 0.06 -1.64 0.02 0.00 0.00 175.30 174.29 3fec s MET 334 N -0.91 2.61 -0.26 3.54 -1.94 -0.41 -1.07 119.30 120.86 3fec s MET 334 Ca 0.10 -1.03 -0.04 0.00 -1.71 0.00 0.00 55.69 53.01 3fec s MET 334 Cb -0.09 -2.47 0.09 0.00 2.01 0.00 0.00 34.83 34.37 3fec s MET 334 CO 0.01 0.46 0.14 -1.58 -0.01 0.00 0.00 175.02 174.03 3fec s HIS 335 N -1.79 0.20 -0.07 -0.03 5.04 0.54 -3.45 115.29 115.73 3fec s HIS 335 Ca 0.29 -0.64 -0.00 0.00 -1.54 0.00 0.00 55.06 53.17 3fec s HIS 335 Cb -0.09 -0.79 0.02 0.00 0.04 0.00 0.00 32.58 31.76 3fec s HIS 335 CO 0.21 -0.75 -0.04 0.08 -2.34 0.00 0.00 174.74 171.90 3fec s VAL 336 N 2.14 0.63 -0.26 0.89 1.01 -0.41 -1.17 120.40 123.23 3fec s VAL 336 Ca 0.07 -0.08 0.22 0.00 0.00 0.00 0.00 61.98 62.19 3fec s VAL 336 Cb -0.16 -0.70 0.50 0.00 0.00 0.00 0.00 36.38 36.03 3fec s VAL 336 CO -0.29 0.28 1.14 -1.22 0.00 0.00 0.00 175.10 175.02 3fec n TYR 337 N 4.71 0.99 -1.59 5.22 4.02 -1.26 -0.88 117.16 128.37 3fec n TYR 337 Ca -0.14 -2.09 -0.35 0.00 -0.01 0.00 0.00 57.90 55.31 3fec n TYR 337 Cb 0.50 -0.09 0.08 0.00 -0.02 0.00 0.00 39.34 39.81 3fec n TYR 337 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3fec s ASN 338 N -3.59 4.47 -0.06 7.72 0.01 -1.26 -3.96 114.94 118.27 3fec s ASN 338 Ca 0.26 2.38 0.00 0.00 -0.71 0.00 0.00 52.86 54.79 3fec s ASN 338 Cb 0.33 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 39.37 3fec s ASN 338 CO -0.05 -2.08 -0.04 -0.51 -1.51 0.00 0.00 177.10 172.91 3fec s ILE 339 N -1.86 3.93 -0.14 0.60 2.07 0.10 -4.78 121.20 121.13 3fec s ILE 339 Ca 0.76 -0.43 -0.10 0.00 -1.41 0.00 0.00 60.65 59.47 3fec s ILE 339 Cb -0.30 -2.64 -0.05 0.00 0.13 0.00 0.00 42.46 39.61 3fec s ILE 339 CO 0.42 0.57 0.18 0.20 -1.91 0.00 0.00 174.94 174.40 3fec s ASN 340 N -0.93 6.38 -0.12 4.50 0.01 -1.26 -1.27 114.94 122.25 3fec s ASN 340 Ca 0.14 0.44 -0.10 0.00 -0.71 0.00 0.00 52.86 52.63 3fec s ASN 340 Cb -0.11 -2.11 0.03 0.00 0.41 0.00 0.00 41.25 39.48 3fec s ASN 340 CO 0.03 0.29 0.31 -0.75 -1.51 0.00 0.00 177.10 175.47 3fec s LYS 341 N -0.40 0.35 0.05 -0.60 2.47 0.02 -4.98 119.74 116.64 3fec s LYS 341 Ca 0.14 0.48 -0.31 0.00 -1.56 0.00 0.00 55.97 54.72 3fec s LYS 341 Cb -0.12 0.12 -0.07 0.00 -1.46 0.00 0.00 37.83 36.30 3fec s LYS 341 CO 0.03 -0.07 1.46 0.42 0.16 0.00 0.00 175.35 177.35 3fec s ILE 342 N 0.41 3.43 0.00 5.43 1.01 -1.26 -1.14 121.20 129.08 3fec s ILE 342 Ca -0.02 0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.54 3fec s ILE 342 Cb -0.04 -3.58 -0.00 0.00 0.01 0.00 0.00 42.46 38.85 3fec s ILE 342 CO -0.02 0.02 -0.02 -0.89 0.00 0.00 0.00 174.94 174.03 3fec s THR 343 N 2.07 0.12 0.14 2.92 2.01 0.36 -4.89 115.64 118.36 3fec s THR 343 Ca 0.66 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.18 3fec s THR 343 Cb -0.35 -0.13 -0.07 0.00 0.01 0.00 0.00 72.50 71.97 3fec s THR 343 CO 0.29 -0.04 1.07 -0.60 -0.69 0.00 0.00 174.62 174.65 3fec s ARG 344 N -0.23 4.59 0.25 4.92 3.52 -1.26 -1.29 118.95 129.45 3fec s ARG 344 Ca -0.02 1.65 0.10 0.00 -0.13 0.00 0.00 55.73 57.33 3fec s ARG 344 Cb -0.02 -3.32 -0.05 0.00 -1.56 0.00 0.00 34.95 30.00 3fec s ARG 344 CO -0.00 0.05 -0.18 0.96 -0.81 0.00 0.00 175.30 175.33 3fec s ILE 345 N 0.06 2.16 -0.09 4.11 -4.36 0.15 -4.44 121.20 118.80 3fec s ILE 345 Ca 0.50 -2.32 -0.02 0.00 -0.26 0.00 0.00 60.65 58.55 3fec s ILE 345 Cb -0.28 -2.19 0.03 0.00 1.25 0.00 0.00 42.46 41.28 3fec s ILE 345 CO 0.33 -0.48 0.01 -0.31 0.24 0.00 0.00 174.94 174.73 3fec s TYR 346 N -2.69 0.67 0.19 1.37 2.02 -1.26 -2.00 117.35 115.65 3fec s TYR 346 Ca 0.27 -0.25 -0.14 0.00 -0.37 0.00 0.00 57.07 56.57 3fec s TYR 346 Cb -0.03 -0.82 -0.07 0.00 -0.40 0.00 0.00 41.96 40.64 3fec s TYR 346 CO 0.11 -0.37 0.59 -0.80 -1.57 0.00 0.00 175.55 173.51 3fec s ASN 347 N 1.97 6.82 -0.22 2.29 0.01 0.14 -4.10 114.94 121.86 3fec s ASN 347 Ca 0.04 1.11 -0.08 0.00 -0.71 0.00 0.00 52.86 53.22 3fec s ASN 347 Cb -0.13 -2.30 -0.04 0.00 0.41 0.00 0.00 41.25 39.19 3fec s ASN 347 CO -0.06 0.04 0.09 -0.69 -1.51 0.00 0.00 177.10 174.97 3fec s VAL 348 N -1.58 4.82 -0.11 1.60 1.01 -0.30 -0.67 120.40 125.18 3fec s VAL 348 Ca 0.42 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.40 3fec s VAL 348 Cb -0.14 -3.22 0.02 0.00 0.00 0.00 0.00 36.38 33.03 3fec s VAL 348 CO 0.20 0.39 -0.14 0.68 0.00 0.00 0.00 175.10 176.22 3fec s VAL 349 N 0.94 1.45 0.20 2.92 -7.23 0.47 -0.34 120.40 118.81 3fec s VAL 349 Ca 0.05 -0.60 0.03 0.00 -1.81 0.00 0.00 61.98 59.65 3fec s VAL 349 Cb -0.14 -1.34 -0.05 0.00 0.56 0.00 0.00 36.38 35.42 3fec s VAL 349 CO 0.03 0.43 -0.03 -0.83 -0.31 0.00 0.00 175.10 174.39 3fec s GLY 350 N 1.08 1.36 0.03 2.32 0.00 0.60 -0.79 107.32 111.92 3fec s GLY 350 Ca -0.05 -1.66 -0.01 0.00 0.00 0.00 0.00 44.72 43.01 3fec s GLY 350 CO -0.03 -1.62 -0.03 -0.51 0.00 0.00 0.00 173.10 170.92 3fec s THR 351 N -3.45 0.15 -0.25 0.90 -4.23 -0.94 -0.58 115.64 107.24 3fec s THR 351 Ca 0.24 -1.27 0.02 0.00 -1.18 0.00 0.00 61.69 59.50 3fec s THR 351 Cb 0.05 -0.78 0.06 0.00 1.34 0.00 0.00 72.50 73.17 3fec s THR 351 CO 0.06 -0.70 -0.07 -0.63 -0.54 0.00 0.00 174.62 172.73 3fec s ILE 352 N -2.47 1.87 0.32 2.99 1.01 -0.22 -0.63 121.20 124.08 3fec s ILE 352 Ca -0.07 -1.48 -0.28 0.00 0.00 0.00 0.00 60.65 58.82 3fec s ILE 352 Cb -0.03 -2.08 -0.09 0.00 0.01 0.00 0.00 42.46 40.27 3fec s ILE 352 CO -0.05 -0.10 1.16 -0.60 0.00 0.00 0.00 174.94 175.35 3fec s ARG 353 N 1.23 4.43 0.47 2.79 3.52 -1.26 -1.09 118.95 129.04 3fec s ARG 353 Ca -0.06 1.88 -0.23 0.00 -0.13 0.00 0.00 55.73 57.19 3fec s ARG 353 Cb -0.19 -3.02 -0.07 0.00 -1.56 0.00 0.00 34.95 30.11 3fec s ARG 353 CO -0.06 -0.01 1.19 0.20 -0.81 0.00 0.00 175.30 175.82 3fec s GLY 354 N -0.89 2.79 0.15 8.12 0.00 -1.21 -4.59 107.32 111.69 3fec s GLY 354 Ca 0.49 0.99 0.24 0.00 0.00 0.00 0.00 44.72 46.44 3fec s GLY 354 CO 0.42 1.46 1.26 1.76 0.00 0.00 0.00 173.10 178.00 3fec h SER 355 N 1.94 0.00 0.00 1.64 0.02 -0.69 -3.34 113.55 113.12 3fec h SER 355 Ca -0.50 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.25 3fec h SER 355 Cb 1.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 3fec h SER 355 CO 0.60 0.08 -1.13 0.52 -1.14 0.00 0.00 176.83 175.76 3fec n VAL 356 N -2.27 0.13 -3.36 2.27 0.31 -0.63 -4.88 118.33 109.91 3fec n VAL 356 Ca 0.03 -0.04 -0.26 0.00 -0.01 0.00 0.00 64.34 64.06 3fec n VAL 356 Cb 0.47 -1.32 -0.08 0.00 -0.91 0.00 0.00 33.84 32.00 3fec n VAL 356 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3fec n GLU 357 N -2.98 2.18 0.18 5.55 1.02 0.51 -4.92 120.64 122.18 3fec n GLU 357 Ca -0.04 -4.38 0.14 0.00 -0.02 0.00 0.00 57.16 52.85 3fec n GLU 357 Cb 0.53 -2.04 0.62 0.00 -0.02 0.00 0.00 31.44 30.53 3fec n GLU 357 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3fec h PRO 358 N 4.09 0.00 -0.84 3.49 0.13 -1.75 -2.15 132.00 134.97 3fec h PRO 358 Ca 0.17 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.19 3fec h PRO 358 Cb 0.70 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.77 3fec h PRO 358 CO 0.76 0.00 0.14 -0.40 -0.23 0.00 0.00 178.00 178.27 3fec n ASP 359 N -2.46 3.65 -4.07 1.44 5.75 -1.26 -4.52 116.55 115.09 3fec n ASP 359 Ca 0.00 -2.68 -0.21 0.00 -0.01 0.00 0.00 54.79 51.89 3fec n ASP 359 Cb 0.17 -0.64 -0.15 0.00 -1.03 0.00 0.00 41.12 39.47 3fec n ASP 359 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3fec s ARG 360 N -1.99 1.07 0.04 0.11 1.81 -0.81 -4.70 118.95 114.48 3fec s ARG 360 Ca 0.32 -0.43 0.07 0.00 -1.72 0.00 0.00 55.73 53.97 3fec s ARG 360 Cb 0.26 -1.01 -0.02 0.00 -0.45 0.00 0.00 34.95 33.72 3fec s ARG 360 CO 0.08 0.24 -0.21 0.71 -0.68 0.00 0.00 175.30 175.44 3fec s TYR 361 N -0.17 1.83 -0.11 -0.53 2.02 -0.46 -0.59 117.35 119.34 3fec s TYR 361 Ca 0.02 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.37 3fec s TYR 361 Cb -0.06 -1.10 0.01 0.00 -0.40 0.00 0.00 41.96 40.41 3fec s TYR 361 CO -0.00 0.08 -0.17 0.08 -1.57 0.00 0.00 175.55 173.97 3fec s VAL 362 N -0.78 1.65 -0.22 0.71 1.01 -0.38 0.32 120.40 122.72 3fec s VAL 362 Ca 0.08 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 3fec s VAL 362 Cb -0.09 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 3fec s VAL 362 CO 0.02 0.47 0.11 -0.63 0.00 0.00 0.00 175.10 175.06 3fec s ILE 363 N 0.88 4.93 -0.34 2.22 1.01 -0.39 -0.80 121.20 128.71 3fec s ILE 363 Ca -0.08 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.54 3fec s ILE 363 Cb -0.15 -3.27 0.05 0.00 0.01 0.00 0.00 42.46 39.09 3fec s ILE 363 CO -0.01 0.38 0.09 -0.22 0.00 0.00 0.00 174.94 175.19 3fec s LEU 364 N 0.94 4.29 -0.01 2.97 2.96 0.33 -0.13 118.68 130.03 3fec s LEU 364 Ca 0.05 -1.24 0.03 0.00 -0.22 0.00 0.00 54.13 52.76 3fec s LEU 364 Cb -0.14 -1.83 -0.00 0.00 0.50 0.00 0.00 46.19 44.72 3fec s LEU 364 CO 0.03 -0.33 -0.09 -0.83 -1.32 0.00 0.00 176.35 173.81 3fec s GLY 365 N 1.42 0.48 -0.02 7.98 0.00 -0.63 -0.82 107.32 115.72 3fec s GLY 365 Ca -0.02 -0.36 -0.13 0.00 0.00 0.00 0.00 44.72 44.20 3fec s GLY 365 CO 0.01 -0.23 0.28 -0.32 0.00 0.00 0.00 173.10 172.85 3fec s GLY 366 N -0.05 -0.13 0.54 0.20 0.00 -0.27 -0.18 107.32 107.42 3fec s GLY 366 Ca 0.01 0.33 -0.12 0.00 0.00 0.00 0.00 44.72 44.93 3fec s GLY 366 CO -0.00 0.14 0.95 -2.38 0.00 0.00 0.00 173.10 171.81 3fec s HIS 367 N -1.15 3.54 0.00 1.90 -3.43 -1.26 -0.45 115.29 114.44 3fec s HIS 367 Ca -0.12 1.26 0.00 0.00 -0.80 0.00 0.00 55.06 55.40 3fec s HIS 367 Cb -0.05 -2.66 0.00 0.00 -1.43 0.00 0.00 32.58 28.44 3fec s HIS 367 CO 0.03 -0.45 0.00 2.89 -2.00 0.00 0.00 174.74 175.21 3fec n ARG 368 N -2.10 5.50 -2.68 -0.38 1.85 -0.14 -4.59 116.66 114.13 3fec n ARG 368 Ca 0.05 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.52 3fec n ARG 368 Cb 0.54 -0.40 -0.06 0.00 -1.05 0.00 0.00 32.46 31.50 3fec n ARG 368 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 3fec s ASP 369 N -0.80 7.22 0.31 2.89 -4.77 -1.25 -4.81 116.67 115.46 3fec s ASP 369 Ca 0.00 1.95 0.04 0.00 -3.30 0.00 0.00 52.55 51.24 3fec s ASP 369 Cb 0.00 -2.59 -0.06 0.00 -1.09 0.00 0.00 42.92 39.18 3fec s ASP 369 CO 0.00 -0.15 0.05 -0.94 0.70 0.00 0.00 175.17 174.83 3fec s SER 370 N -1.46 2.26 -0.03 2.11 1.04 -0.47 -4.45 113.70 112.69 3fec s SER 370 Ca 0.50 -1.36 -0.22 0.00 0.48 0.00 0.00 55.95 55.35 3fec s SER 370 Cb -0.22 -0.06 -0.24 0.00 0.10 0.00 0.00 66.02 65.60 3fec s SER 370 CO 0.28 -0.60 1.05 -0.50 0.98 0.00 0.00 173.24 174.45 3fec h TRP 371 N 2.16 0.42 0.00 5.02 4.06 -1.87 -3.29 115.95 122.46 3fec h TRP 371 Ca -0.40 -0.23 0.00 0.00 2.06 0.00 0.00 58.89 60.32 3fec h TRP 371 Cb 1.24 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 29.36 3fec h TRP 371 CO 0.57 1.04 0.00 0.28 -3.56 0.00 0.00 178.44 176.77 3fec n VAL 372 N -4.37 0.00 0.10 1.49 0.31 -1.26 -4.65 118.33 109.94 3fec n VAL 372 Ca -0.10 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.22 3fec n VAL 372 Cb 0.59 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.48 3fec n VAL 372 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3fec h PHE 373 N 0.00 0.00 -5.56 3.52 0.04 -1.84 -2.66 116.94 110.43 3fec h PHE 373 Ca 0.00 0.00 -0.42 0.00 2.80 0.00 0.00 57.97 60.35 3fec h PHE 373 Cb 0.00 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.19 3fec h PHE 373 CO 0.00 0.65 -0.67 0.41 -0.60 0.00 0.00 178.31 178.10 3fec n GLY 374 N 1.30 -0.52 0.36 -1.45 0.00 -1.21 -4.76 105.19 98.91 3fec n GLY 374 Ca -0.01 0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.29 3fec n GLY 374 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fec h ALA 375 N 1.00 1.79 0.00 4.61 0.00 -1.63 -0.51 119.26 124.52 3fec h ALA 375 Ca -0.55 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3fec h ALA 375 Cb 1.36 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3fec h ALA 375 CO 0.59 0.03 -0.26 0.82 0.00 0.00 0.00 179.25 180.43 3fec h ILE 376 N 0.71 0.00 -3.47 0.00 2.04 -1.88 -2.20 117.51 112.71 3fec h ILE 376 Ca 0.38 -0.88 -0.72 0.00 1.00 0.00 0.00 64.86 64.65 3fec h ILE 376 Cb 0.51 0.00 -0.25 0.00 -0.74 0.00 0.00 36.82 36.35 3fec h ILE 376 CO -0.15 0.00 -0.45 -0.62 0.00 0.00 0.00 178.15 176.93 3fec s ASP 377 N -5.37 5.84 0.00 1.72 2.15 -1.18 -2.48 116.67 117.36 3fec s ASP 377 Ca -0.08 -1.23 0.14 0.00 0.43 0.00 0.00 52.55 51.81 3fec s ASP 377 Cb 0.01 -2.06 0.29 0.00 -0.30 0.00 0.00 42.92 40.86 3fec s ASP 377 CO 0.11 -0.50 1.19 -0.81 -0.17 0.00 0.00 175.17 174.99 3fec n PRO 378 N 5.04 2.16 0.23 4.34 -0.04 -1.19 -4.29 135.00 141.23 3fec n PRO 378 Ca -0.11 -1.90 0.10 0.00 -0.04 0.00 0.00 63.50 61.55 3fec n PRO 378 Cb 0.44 -1.32 0.51 0.00 -0.04 0.00 0.00 33.50 33.09 3fec n PRO 378 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3fec h THR 379 N 2.68 0.62 -0.81 0.52 2.02 -0.82 0.42 112.91 117.54 3fec h THR 379 Ca 0.00 -1.03 0.01 0.00 0.77 0.00 0.00 66.41 66.16 3fec h THR 379 Cb 0.72 1.68 -0.04 0.00 -1.74 0.00 0.00 68.15 68.77 3fec h THR 379 CO 0.00 0.22 0.53 0.77 0.37 0.00 0.00 175.52 177.41 3fec h SER 380 N 0.00 0.91 0.63 4.18 4.64 -1.07 -0.44 113.55 122.40 3fec h SER 380 Ca -0.00 -0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.12 3fec h SER 380 Cb 0.66 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 3fec h SER 380 CO 0.03 0.65 -0.78 1.23 -0.87 0.00 0.00 176.83 177.09 3fec h GLY 381 N 1.07 0.13 0.90 -0.77 0.00 -0.28 -2.08 103.07 102.05 3fec h GLY 381 Ca 0.30 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 3fec h GLY 381 CO -0.07 0.18 0.10 -2.08 0.00 0.00 0.00 176.54 174.67 3fec h VAL 382 N 0.07 1.19 -0.60 4.60 2.07 -0.62 -0.34 116.25 122.61 3fec h VAL 382 Ca -0.02 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 3fec h VAL 382 Cb 1.37 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 3fec h VAL 382 CO 0.11 0.19 0.28 0.00 0.02 0.00 0.00 177.57 178.17 3fec h ALA 383 N 0.94 0.77 -0.44 1.67 0.00 -1.03 -1.61 119.26 119.56 3fec h ALA 383 Ca 0.09 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3fec h ALA 383 Cb 0.21 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3fec h ALA 383 CO -0.01 0.34 0.27 0.28 0.00 0.00 0.00 179.25 180.14 3fec h VAL 384 N 0.82 1.06 -0.92 0.00 2.07 -1.27 -2.04 116.25 115.97 3fec h VAL 384 Ca 0.20 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.55 3fec h VAL 384 Cb 0.14 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 3fec h VAL 384 CO -0.02 0.10 0.61 0.25 0.02 0.00 0.00 177.57 178.52 3fec h LEU 385 N 0.54 1.05 -0.87 2.57 5.85 -0.66 -0.42 115.31 123.37 3fec h LEU 385 Ca 0.17 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 3fec h LEU 385 Cb -0.01 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3fec h LEU 385 CO -0.07 0.75 0.31 1.56 -0.34 0.00 0.00 178.44 180.66 3fec h GLN 386 N 1.24 1.14 -0.16 1.25 1.08 -1.01 -0.63 115.11 118.01 3fec h GLN 386 Ca 0.34 -0.20 -0.16 0.00 -1.45 0.00 0.00 58.65 57.18 3fec h GLN 386 Cb -0.13 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.10 3fec h GLN 386 CO -0.08 0.92 -0.56 1.49 -0.95 0.00 0.00 178.83 179.66 3fec h GLU 387 N 1.12 0.48 -0.03 1.46 4.57 -0.76 0.19 114.58 121.61 3fec h GLU 387 Ca 0.26 -0.30 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3fec h GLU 387 Cb 0.20 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 3fec h GLU 387 CO -0.02 0.91 0.01 0.82 -1.18 0.00 0.00 179.01 179.55 3fec h ILE 388 N 0.37 1.14 -0.91 2.32 2.04 -0.87 -1.40 117.51 120.21 3fec h ILE 388 Ca 0.00 -0.41 0.03 0.00 1.00 0.00 0.00 64.86 65.48 3fec h ILE 388 Cb 1.09 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 38.49 3fec h ILE 388 CO 0.10 0.11 0.60 0.00 0.00 0.00 0.00 178.15 178.96 3fec h ALA 389 N 0.84 1.40 -0.72 1.87 0.00 -0.91 -0.63 119.26 121.11 3fec h ALA 389 Ca 0.01 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3fec h ALA 389 Cb 0.17 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3fec h ALA 389 CO -0.00 0.52 0.48 -0.09 0.00 0.00 0.00 179.25 180.16 3fec h ARG 390 N 1.17 0.94 -0.33 0.00 2.43 -0.77 -0.04 114.38 117.79 3fec h ARG 390 Ca 0.35 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.30 3fec h ARG 390 Cb -0.03 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.30 3fec h ARG 390 CO -0.10 0.62 -0.45 1.03 -1.51 0.00 0.00 179.97 179.57 3fec h SER 391 N 0.97 0.93 -0.64 -3.80 0.87 -0.63 -0.53 113.55 110.73 3fec h SER 391 Ca 0.26 -0.45 -0.01 0.00 -1.23 0.00 0.00 61.79 60.36 3fec h SER 391 Cb -0.11 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.56 3fec h SER 391 CO -0.06 1.24 0.36 -0.26 -0.53 0.00 0.00 176.83 177.58 3fec h PHE 392 N 0.69 0.88 -0.61 2.24 0.04 -0.88 -1.98 116.94 117.31 3fec h PHE 392 Ca 0.04 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 3fec h PHE 392 Cb 1.04 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.87 3fec h PHE 392 CO 0.06 0.61 0.20 0.78 -0.60 0.00 0.00 178.31 179.36 3fec h GLY 393 N 0.96 0.99 1.16 -1.45 0.00 -0.35 -1.39 103.07 102.98 3fec h GLY 393 Ca 0.23 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 3fec h GLY 393 CO -0.04 0.51 0.08 0.50 0.00 0.00 0.00 176.54 177.60 3fec h LYS 394 N 0.89 1.02 -0.31 4.80 1.79 -0.61 -0.87 116.57 123.29 3fec h LYS 394 Ca 0.20 -0.27 0.02 0.00 -2.18 0.00 0.00 60.65 58.43 3fec h LYS 394 Cb 0.24 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 3fec h LYS 394 CO -0.01 0.95 0.14 -0.07 -1.08 0.00 0.00 179.45 179.39 3fec h LEU 395 N 0.96 0.20 -1.30 2.94 3.38 -0.87 -2.36 115.31 118.26 3fec h LEU 395 Ca 0.19 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.24 3fec h LEU 395 Cb 0.44 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 3fec h LEU 395 CO 0.01 0.16 0.52 0.24 0.09 0.00 0.00 178.44 179.46 3fec h MET 396 N 0.30 0.82 0.00 1.13 2.86 -0.79 -1.75 114.93 117.50 3fec h MET 396 Ca 0.13 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3fec h MET 396 Cb 0.06 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.54 3fec h MET 396 CO -0.10 0.54 0.00 0.66 1.06 0.00 0.00 176.91 179.07 3fec h SER 397 N 0.84 0.00 -0.47 1.22 4.64 -0.61 -0.00 113.55 119.17 3fec h SER 397 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3fec h SER 397 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3fec h SER 397 CO -0.12 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.13 3fec n LYS 398 N -3.02 3.21 -0.03 4.77 4.76 -0.68 -4.97 118.16 122.20 3fec n LYS 398 Ca -0.03 -2.59 0.00 0.00 -2.87 0.00 0.00 58.31 52.83 3fec n LYS 398 Cb 0.08 -1.65 0.00 0.00 -1.84 0.00 0.00 35.03 31.62 3fec n LYS 398 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fec n GLY 399 N 0.59 0.50 3.77 0.72 0.00 -0.01 -5.06 105.19 105.70 3fec n GLY 399 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 3fec n GLY 399 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3fec s TRP 400 N -2.06 3.24 0.02 1.61 -0.00 -1.08 -4.99 118.94 115.68 3fec s TRP 400 Ca 0.00 1.62 0.01 0.00 -0.00 0.00 0.00 56.10 57.73 3fec s TRP 400 Cb 0.00 -3.26 -0.01 0.00 -0.00 0.00 0.00 33.47 30.20 3fec s TRP 400 CO 0.00 -0.88 -0.04 1.03 -0.00 0.00 0.00 176.95 177.06 3fec s ARG 401 N -2.24 0.31 0.62 5.86 1.81 -1.26 -4.13 118.95 119.92 3fec s ARG 401 Ca 0.55 -0.45 -0.13 0.00 -1.72 0.00 0.00 55.73 53.98 3fec s ARG 401 Cb -0.27 -0.09 -0.03 0.00 -0.45 0.00 0.00 34.95 34.11 3fec s ARG 401 CO 0.34 0.01 1.04 -1.25 -0.68 0.00 0.00 175.30 174.76 3fec s PRO 402 N -0.97 3.31 0.07 3.54 0.04 -1.26 -4.79 135.00 134.94 3fec s PRO 402 Ca -0.08 1.02 -0.28 0.00 0.04 0.00 0.00 61.00 61.70 3fec s PRO 402 Cb -0.07 -2.04 -0.17 0.00 0.04 0.00 0.00 34.50 32.26 3fec s PRO 402 CO -0.00 -0.80 1.60 -0.09 0.04 0.00 0.00 177.00 177.74 3fec h ARG 403 N -0.00 -0.46 -6.55 4.56 2.43 -1.82 0.24 114.38 112.78 3fec h ARG 403 Ca -0.45 0.03 -0.48 0.00 -0.81 0.00 0.00 59.98 58.27 3fec h ARG 403 Cb 1.21 0.11 0.02 0.00 -0.42 0.00 0.00 29.97 30.88 3fec h ARG 403 CO 0.58 -0.27 -0.15 1.03 -1.51 0.00 0.00 179.97 179.65 3fec s ARG 404 N -5.84 2.43 -0.06 0.20 0.52 -0.02 -0.37 118.95 115.82 3fec s ARG 404 Ca -0.15 -1.57 -0.20 0.00 -0.52 0.00 0.00 55.73 53.29 3fec s ARG 404 Cb 0.04 -2.64 -0.05 0.00 0.52 0.00 0.00 34.95 32.83 3fec s ARG 404 CO 0.62 -0.69 0.56 0.99 0.02 0.00 0.00 175.30 176.80 3fec s THR 405 N -2.59 5.05 -0.13 0.02 2.01 0.24 -3.32 115.64 116.93 3fec s THR 405 Ca 0.58 1.14 -0.15 0.00 0.31 0.00 0.00 61.69 63.58 3fec s THR 405 Cb -0.06 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 3fec s THR 405 CO 0.36 0.36 0.34 -0.63 -0.69 0.00 0.00 174.62 174.37 3fec s ILE 406 N 0.28 5.25 -0.23 1.82 1.01 -0.25 -1.24 121.20 127.83 3fec s ILE 406 Ca 0.30 0.67 -0.06 0.00 0.00 0.00 0.00 60.65 61.56 3fec s ILE 406 Cb -0.17 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 3fec s ILE 406 CO 0.14 0.41 0.03 -0.63 0.00 0.00 0.00 174.94 174.89 3fec s ILE 407 N 0.21 4.00 -0.12 2.92 1.01 0.02 -1.06 121.20 128.18 3fec s ILE 407 Ca 0.20 -0.28 -0.09 0.00 0.00 0.00 0.00 60.65 60.48 3fec s ILE 407 Cb -0.14 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 3fec s ILE 407 CO 0.07 0.38 0.18 -0.36 0.00 0.00 0.00 174.94 175.20 3fec s PHE 408 N 1.46 3.58 -0.04 3.97 0.08 0.25 -0.51 117.98 126.77 3fec s PHE 408 Ca 0.05 0.55 -0.01 0.00 0.12 0.00 0.00 56.93 57.65 3fec s PHE 408 Cb -0.15 -2.04 0.03 0.00 -0.57 0.00 0.00 43.02 40.30 3fec s PHE 408 CO 0.01 0.63 0.07 0.00 -0.10 0.00 0.00 175.22 175.83 3fec s ALA 409 N -0.73 -0.02 -0.36 5.36 0.00 -0.00 -0.29 121.76 125.72 3fec s ALA 409 Ca 0.15 0.42 -0.08 0.00 0.00 0.00 0.00 51.96 52.45 3fec s ALA 409 Cb -0.12 -0.34 0.04 0.00 0.00 0.00 0.00 23.12 22.70 3fec s ALA 409 CO 0.04 -0.15 0.16 0.45 0.00 0.00 0.00 175.76 176.26 3fec s SER 410 N 1.19 5.48 0.30 0.00 0.15 0.53 -1.12 113.70 120.24 3fec s SER 410 Ca -0.08 -1.17 -0.10 0.00 0.70 0.00 0.00 55.95 55.30 3fec s SER 410 Cb -0.13 -1.93 -0.07 0.00 -1.71 0.00 0.00 66.02 62.19 3fec s SER 410 CO -0.04 -0.38 0.64 0.26 1.20 0.00 0.00 173.24 174.92 3fec s TRP 411 N 1.44 3.43 0.30 3.44 0.23 0.40 -1.15 118.94 127.04 3fec s TRP 411 Ca 0.00 0.95 0.08 0.00 -2.03 0.00 0.00 56.10 55.09 3fec s TRP 411 Cb -0.20 -2.33 -0.03 0.00 0.03 0.00 0.00 33.47 30.93 3fec s TRP 411 CO 0.04 0.13 0.21 0.34 0.96 0.00 0.00 176.95 178.63 3fec s ASP 412 N -2.67 5.26 -1.20 2.95 -1.08 -1.26 -0.97 116.67 117.71 3fec s ASP 412 Ca 0.49 -0.43 -0.00 0.00 -0.52 0.00 0.00 52.55 52.08 3fec s ASP 412 Cb -0.11 -1.11 0.00 0.00 -1.46 0.00 0.00 42.92 40.24 3fec s ASP 412 CO 0.24 -0.19 0.03 0.00 0.52 0.00 0.00 175.17 175.77 3fec n ALA 413 N -1.23 -0.77 0.01 3.66 0.00 -1.26 -0.90 120.51 120.02 3fec n ALA 413 Ca -0.05 0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.54 3fec n ALA 413 Cb 0.59 -1.72 0.41 0.00 0.00 0.00 0.00 19.45 18.73 3fec n ALA 413 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3fec h GLU 414 N -0.07 0.51 0.00 0.00 4.22 -1.88 -2.20 114.58 115.16 3fec h GLU 414 Ca -0.34 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.06 3fec h GLU 414 Cb 1.25 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3fec h GLU 414 CO 0.40 0.38 0.00 0.39 -2.18 0.00 0.00 179.01 178.00 3fec n GLU 415 N -4.44 0.04 -0.51 1.92 -0.58 -1.26 -1.06 120.64 114.75 3fec n GLU 415 Ca 0.02 0.23 0.10 0.00 -0.42 0.00 0.00 57.16 57.09 3fec n GLU 415 Cb 0.10 -1.57 0.33 0.00 -0.57 0.00 0.00 31.44 29.73 3fec n GLU 415 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3fec n PHE 416 N -1.64 1.26 0.00 -0.32 3.72 -0.97 -3.92 117.46 115.59 3fec n PHE 416 Ca 0.04 -0.58 0.00 0.00 -0.05 0.00 0.00 57.45 56.86 3fec n PHE 416 Cb 0.22 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 3fec n PHE 416 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fec n GLY 417 N 1.21 1.55 2.89 1.37 0.00 -0.87 -4.72 105.19 106.61 3fec n GLY 417 Ca 0.25 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.08 3fec n GLY 417 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fec n LEU 418 N 0.00 -2.65 -0.03 0.99 4.77 -0.22 -4.45 117.00 115.41 3fec n LEU 418 Ca 0.00 -0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 55.55 3fec n LEU 418 Cb 0.00 -2.55 -0.10 0.00 -2.33 0.00 0.00 43.42 38.44 3fec n LEU 418 CO 0.00 0.28 0.43 -0.07 -1.33 0.00 0.00 177.39 176.70 3fec h LEU 419 N -1.40 0.28 -0.47 2.23 3.38 -1.60 -1.49 115.31 116.23 3fec h LEU 419 Ca -0.44 -0.70 -0.07 0.00 0.09 0.00 0.00 57.88 56.76 3fec h LEU 419 Cb 1.30 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 3fec h LEU 419 CO 0.47 0.94 0.01 1.23 0.09 0.00 0.00 178.44 181.17 3fec h GLY 420 N -0.35 0.89 1.42 0.83 0.00 -1.20 -0.23 103.07 104.43 3fec h GLY 420 Ca -0.02 -0.65 -0.15 0.00 0.00 0.00 0.00 47.33 46.51 3fec h GLY 420 CO 0.05 0.60 -0.47 1.48 0.00 0.00 0.00 176.54 178.21 3fec h SER 421 N 0.68 0.68 -0.25 0.19 4.64 -1.73 -2.39 113.55 115.38 3fec h SER 421 Ca 0.14 -0.33 -0.15 0.00 -0.47 0.00 0.00 61.79 60.98 3fec h SER 421 Cb 0.49 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3fec h SER 421 CO 0.02 1.04 -0.42 0.74 -0.87 0.00 0.00 176.83 177.34 3fec h THR 422 N 0.50 1.30 -0.23 2.95 2.02 -1.09 -2.02 112.91 116.35 3fec h THR 422 Ca 0.03 -1.62 -0.07 0.00 0.77 0.00 0.00 66.41 65.51 3fec h THR 422 Cb 1.00 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 69.12 3fec h THR 422 CO 0.09 0.52 -0.16 -0.33 0.37 0.00 0.00 175.52 176.01 3fec h GLU 423 N 0.46 0.40 -0.15 6.66 4.39 -1.05 0.11 114.58 125.40 3fec h GLU 423 Ca 0.02 -0.12 -0.15 0.00 0.34 0.00 0.00 59.36 59.45 3fec h GLU 423 Cb 1.02 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 3fec h GLU 423 CO 0.10 0.56 -0.54 2.35 -1.16 0.00 0.00 179.01 180.31 3fec h TRP 424 N 0.37 0.56 -0.57 4.33 7.01 -1.37 0.20 115.95 126.48 3fec h TRP 424 Ca 0.07 -0.19 -0.07 0.00 2.11 0.00 0.00 58.89 60.80 3fec h TRP 424 Cb 0.51 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.44 3fec h TRP 424 CO 0.01 0.89 0.07 0.00 -2.79 0.00 0.00 178.44 176.62 3fec h ALA 425 N 1.07 0.76 -0.52 2.65 0.00 -0.85 -1.01 119.26 121.37 3fec h ALA 425 Ca 0.01 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 3fec h ALA 425 Cb 1.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3fec h ALA 425 CO 0.10 0.53 0.11 0.93 0.00 0.00 0.00 179.25 180.92 3fec h GLU 426 N 0.85 0.80 -0.38 0.00 5.08 -0.35 0.78 114.58 121.36 3fec h GLU 426 Ca 0.17 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 3fec h GLU 426 Cb 0.45 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3fec h GLU 426 CO 0.02 0.73 -0.00 1.49 -1.00 0.00 0.00 179.01 180.25 3fec h GLU 427 N 0.77 0.67 -0.46 2.33 4.81 -0.58 -3.32 114.58 118.78 3fec h GLU 427 Ca 0.17 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3fec h GLU 427 Cb 0.31 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3fec h GLU 427 CO 0.00 0.77 0.00 0.09 -0.73 0.00 0.00 179.01 179.14 3fec n ASN 428 N -4.47 3.41 -0.32 1.04 4.13 -0.42 -4.70 115.26 113.94 3fec n ASN 428 Ca -0.01 -2.11 0.19 0.00 1.68 0.00 0.00 54.58 54.33 3fec n ASN 428 Cb 0.28 -0.35 0.38 0.00 -1.54 0.00 0.00 39.78 38.56 3fec n ASN 428 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 3fec h VAL 429 N 2.75 0.19 -0.40 2.41 3.04 -0.95 0.21 116.25 123.49 3fec h VAL 429 Ca 0.00 -0.05 -0.12 0.00 -1.01 0.00 0.00 66.70 65.52 3fec h VAL 429 Cb 0.91 0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.20 3fec h VAL 429 CO 0.04 0.03 -0.22 0.11 -1.01 0.00 0.00 177.57 176.51 3fec h LYS 430 N 0.15 0.81 0.14 4.17 1.79 -1.87 0.29 116.57 122.05 3fec h LYS 430 Ca 0.66 -0.33 -0.30 0.00 -2.18 0.00 0.00 60.65 58.50 3fec h LYS 430 Cb 1.47 -0.04 0.03 0.00 -1.58 0.00 0.00 32.23 32.11 3fec h LYS 430 CO -0.73 0.96 -1.27 -0.84 -1.08 0.00 0.00 179.45 176.49 3fec h ILE 431 N 0.70 1.31 -0.62 1.86 3.07 -1.70 -3.19 117.51 118.95 3fec h ILE 431 Ca 0.10 -2.55 -0.06 0.00 1.55 0.00 0.00 64.86 63.89 3fec h ILE 431 Cb 0.75 2.76 -0.03 0.00 -0.27 0.00 0.00 36.82 40.03 3fec h ILE 431 CO 0.06 0.77 0.16 -0.07 -1.05 0.00 0.00 178.15 178.02 3fec h LEU 432 N 0.24 0.93 -1.08 0.16 3.38 -0.79 -1.86 115.31 116.28 3fec h LEU 432 Ca -0.19 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.50 3fec h LEU 432 Cb 1.95 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 3fec h LEU 432 CO 0.24 0.92 -0.25 0.06 0.09 0.00 0.00 178.44 179.49 3fec h GLN 433 N 0.90 0.00 -0.01 1.13 3.07 -1.04 -1.58 115.11 117.59 3fec h GLN 433 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.94 3fec h GLN 433 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.90 3fec h GLN 433 CO 0.00 0.25 -0.56 0.39 0.09 0.00 0.00 178.83 179.00 3fec n GLU 434 N -3.42 0.57 0.00 0.06 -0.58 -1.08 -4.60 120.64 111.59 3fec n GLU 434 Ca 0.00 -0.43 0.00 0.00 -0.42 0.00 0.00 57.16 56.31 3fec n GLU 434 Cb 0.44 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 3fec n GLU 434 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3fec n ARG 435 N -0.84 2.13 -2.96 3.49 1.74 -0.72 -5.07 116.66 114.43 3fec n ARG 435 Ca 0.08 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.76 3fec n ARG 435 Cb 0.38 -0.16 -0.04 0.00 -1.02 0.00 0.00 32.46 31.62 3fec n ARG 435 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3fec s SER 436 N -0.30 7.05 -0.10 0.55 0.01 -0.61 -1.36 113.70 118.94 3fec s SER 436 Ca 0.00 1.27 -0.27 0.00 1.31 0.00 0.00 55.95 58.26 3fec s SER 436 Cb 0.00 -2.45 -0.26 0.00 0.21 0.00 0.00 66.02 63.53 3fec s SER 436 CO 0.00 -0.18 0.87 0.40 0.41 0.00 0.00 173.24 174.74 3fec h ILE 437 N 4.83 1.68 -2.68 1.44 1.08 -0.48 -3.46 117.51 119.92 3fec h ILE 437 Ca -0.39 -2.20 0.06 0.00 -0.39 0.00 0.00 64.86 61.94 3fec h ILE 437 Cb 1.19 3.16 -0.11 0.00 -3.07 0.00 0.00 36.82 37.99 3fec h ILE 437 CO 0.76 0.58 0.34 0.00 -0.69 0.00 0.00 178.15 179.15 3fec s ALA 438 N -2.58 -1.61 -0.11 1.87 0.00 -1.22 -4.12 121.76 113.99 3fec s ALA 438 Ca -0.17 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.26 3fec s ALA 438 Cb -0.01 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.83 3fec s ALA 438 CO 0.72 -0.83 -0.13 -0.47 0.00 0.00 0.00 175.76 175.04 3fec s TYR 439 N -3.52 1.85 -0.17 0.00 5.04 0.06 -1.26 117.35 119.35 3fec s TYR 439 Ca 0.06 -0.89 -0.02 0.00 -2.44 0.00 0.00 57.07 53.77 3fec s TYR 439 Cb -0.02 -1.37 -0.01 0.00 0.35 0.00 0.00 41.96 40.91 3fec s TYR 439 CO -0.06 -0.49 -0.08 0.42 -1.34 0.00 0.00 175.55 173.99 3fec s ILE 440 N 1.17 3.27 0.62 3.14 -1.09 0.82 -1.56 121.20 127.57 3fec s ILE 440 Ca -0.03 -0.56 -0.08 0.00 -2.23 0.00 0.00 60.65 57.74 3fec s ILE 440 Cb -0.14 -2.43 -0.00 0.00 -1.58 0.00 0.00 42.46 38.30 3fec s ILE 440 CO -0.04 0.48 0.97 0.21 -1.23 0.00 0.00 174.94 175.33 3fec s ASN 441 N 0.81 5.75 -0.36 3.58 2.47 -0.68 -1.60 114.94 124.91 3fec s ASN 441 Ca -0.03 1.00 0.14 0.00 0.42 0.00 0.00 52.86 54.39 3fec s ASN 441 Cb -0.15 -1.99 0.41 0.00 -1.45 0.00 0.00 41.25 38.07 3fec s ASN 441 CO 0.01 -1.05 0.97 -0.24 -3.72 0.00 0.00 177.10 173.08 3fec n SER 442 N -2.70 0.44 -2.27 -4.21 2.88 0.75 -4.75 113.62 103.76 3fec n SER 442 Ca 0.05 -2.83 0.00 0.00 -1.33 0.00 0.00 58.87 54.76 3fec n SER 442 Cb 0.56 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 3fec n SER 442 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3fec n ASP 443 N -0.02 0.00 -4.55 -3.46 -0.08 -1.26 -4.14 116.55 103.03 3fec n ASP 443 Ca 0.11 0.00 -0.47 0.00 -1.51 0.00 0.00 54.79 52.92 3fec n ASP 443 Cb 0.77 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.20 3fec n ASP 443 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3fec n SER 444 N 0.00 0.86 0.00 1.67 7.64 -1.26 -3.63 113.62 118.91 3fec n SER 444 Ca 0.00 1.15 0.11 0.00 1.01 0.00 0.00 58.87 61.14 3fec n SER 444 Cb 0.00 -1.19 -0.11 0.00 -1.01 0.00 0.00 64.21 61.90 3fec n SER 444 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3fec n SER 445 N 1.70 0.47 -3.31 6.43 3.41 -1.26 -4.76 113.62 116.30 3fec n SER 445 Ca 0.14 -0.37 -0.25 0.00 -0.26 0.00 0.00 58.87 58.13 3fec n SER 445 Cb 0.27 1.40 -0.09 0.00 -0.26 0.00 0.00 64.21 65.54 3fec n SER 445 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fec n ILE 446 N -1.96 -1.04 1.28 -1.33 0.13 -1.26 -0.84 119.36 114.34 3fec n ILE 446 Ca -0.00 -3.34 0.13 0.00 -1.10 0.00 0.00 62.75 58.43 3fec n ILE 446 Cb 0.46 -1.49 0.35 0.00 -0.84 0.00 0.00 39.64 38.12 3fec n ILE 446 CO 0.00 0.00 0.00 -1.84 2.80 0.00 0.00 176.55 177.51 3fec n GLU 447 N 2.58 1.40 -3.20 9.51 0.28 -0.29 -4.95 120.64 125.96 3fec n GLU 447 Ca 0.27 -0.93 -0.00 0.00 -0.16 0.00 0.00 57.16 56.35 3fec n GLU 447 Cb 0.50 -1.48 0.01 0.00 1.43 0.00 0.00 31.44 31.90 3fec n GLU 447 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3fec n GLY 448 N 1.29 0.59 1.00 -1.84 0.00 -1.20 -4.44 105.19 100.59 3fec n GLY 448 Ca 0.15 -1.03 0.05 0.00 0.00 0.00 0.00 46.02 45.19 3fec n GLY 448 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fec n ASN 449 N -0.93 1.34 -0.09 1.61 0.23 -1.21 -3.80 115.26 112.42 3fec n ASN 449 Ca 0.01 -2.93 -0.13 0.00 -0.53 0.00 0.00 54.58 51.00 3fec n ASN 449 Cb 0.40 -0.41 -0.05 0.00 -2.08 0.00 0.00 39.78 37.63 3fec n ASN 449 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fec n TYR 450 N -0.34 0.74 -3.55 -2.53 9.36 0.14 -4.99 117.16 115.99 3fec n TYR 450 Ca 0.12 0.32 -0.05 0.00 3.32 0.00 0.00 57.90 61.61 3fec n TYR 450 Cb 0.90 -0.85 0.02 0.00 -0.63 0.00 0.00 39.34 38.78 3fec n TYR 450 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 3fec n THR 451 N -4.51 0.00 -2.69 2.97 5.66 -1.00 -4.99 114.28 109.72 3fec n THR 451 Ca -0.20 -0.58 -0.37 0.00 -3.05 0.00 0.00 64.05 59.85 3fec n THR 451 Cb 0.48 0.60 -0.06 0.00 -1.55 0.00 0.00 70.33 69.81 3fec n THR 451 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3fec s LEU 452 N 0.00 4.32 -0.05 1.09 2.96 -1.26 -0.47 118.68 125.26 3fec s LEU 452 Ca 0.11 1.93 0.05 0.00 -0.22 0.00 0.00 54.13 56.00 3fec s LEU 452 Cb -0.03 -4.01 -0.01 0.00 0.50 0.00 0.00 46.19 42.65 3fec s LEU 452 CO 0.07 -0.17 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.12 3fec s ARG 453 N -2.07 2.22 -0.06 1.98 3.52 0.29 -4.83 118.95 119.99 3fec s ARG 453 Ca 0.51 -0.76 0.04 0.00 -0.13 0.00 0.00 55.73 55.39 3fec s ARG 453 Cb -0.21 -1.88 0.00 0.00 -1.56 0.00 0.00 34.95 31.31 3fec s ARG 453 CO 0.27 0.29 -0.17 0.08 -0.81 0.00 0.00 175.30 174.96 3fec s VAL 454 N -0.01 1.48 -0.12 7.11 1.01 -1.26 -1.61 120.40 127.00 3fec s VAL 454 Ca -0.05 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.24 3fec s VAL 454 Cb -0.13 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.96 3fec s VAL 454 CO 0.03 0.43 -0.21 -1.81 0.00 0.00 0.00 175.10 173.54 3fec s ASP 455 N 0.29 2.92 0.15 3.32 -0.00 -0.59 -1.06 116.67 121.70 3fec s ASP 455 Ca -0.10 -0.55 -0.24 0.00 -0.00 0.00 0.00 52.55 51.66 3fec s ASP 455 Cb -0.14 -1.34 0.06 0.00 -0.00 0.00 0.00 42.92 41.50 3fec s ASP 455 CO 0.04 0.09 0.79 0.00 -0.00 0.00 0.00 175.17 176.09 3fec s THR 457 N -3.52 2.20 0.61 0.00 -1.32 -0.87 -4.26 115.64 108.48 3fec s THR 457 Ca 0.07 0.14 0.32 0.00 -1.21 0.00 0.00 61.69 61.01 3fec s THR 457 Cb -0.02 -3.06 0.37 0.00 -1.51 0.00 0.00 72.50 68.28 3fec s THR 457 CO -0.03 -0.02 2.19 -0.65 -2.21 0.00 0.00 174.62 173.90 3fec h PRO 458 N 1.01 0.00 -0.85 7.08 0.11 -1.93 -1.29 132.00 136.12 3fec h PRO 458 Ca -0.51 0.00 0.24 0.00 0.11 0.00 0.00 66.00 65.85 3fec h PRO 458 Cb 1.31 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.39 3fec h PRO 458 CO 0.55 0.00 0.61 -0.07 -0.21 0.00 0.00 178.00 178.89 3fec h LEU 459 N 0.00 0.02 -0.98 2.35 3.38 -1.91 -2.47 115.31 115.70 3fec h LEU 459 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3fec h LEU 459 Cb 0.24 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3fec h LEU 459 CO -0.00 0.01 -0.41 0.18 0.09 0.00 0.00 178.44 178.30 3fec n LEU 460 N -4.29 1.94 -0.10 1.67 4.77 -0.49 -1.94 117.00 118.56 3fec n LEU 460 Ca 0.18 -0.70 -0.06 0.00 -0.03 0.00 0.00 56.01 55.40 3fec n LEU 460 Cb 0.91 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 42.00 3fec n LEU 460 CO 0.38 0.36 0.89 1.88 -1.33 0.00 0.00 177.39 179.57 3fec h TYR 461 N 2.40 0.08 -0.64 -1.77 0.05 -1.53 -1.82 116.97 113.73 3fec h TYR 461 Ca 0.00 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.76 3fec h TYR 461 Cb 0.73 0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.46 3fec h TYR 461 CO 0.00 -0.01 0.22 0.37 -1.05 0.00 0.00 178.16 177.69 3fec h GLN 462 N 0.17 0.97 -0.59 4.88 4.15 -1.81 -1.49 115.11 121.39 3fec h GLN 462 Ca 0.17 -0.18 -0.10 0.00 0.77 0.00 0.00 58.65 59.32 3fec h GLN 462 Cb 0.21 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 3fec h GLN 462 CO -0.25 0.82 -0.01 1.25 -1.93 0.00 0.00 178.83 178.72 3fec h LEU 463 N 0.94 1.02 -0.39 -2.39 5.85 -1.71 -0.73 115.31 117.90 3fec h LEU 463 Ca 0.21 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3fec h LEU 463 Cb 0.24 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3fec h LEU 463 CO -0.01 1.08 0.23 0.58 -0.34 0.00 0.00 178.44 179.98 3fec h VAL 464 N 0.94 1.13 -0.61 1.05 2.07 -0.87 -0.21 116.25 119.75 3fec h VAL 464 Ca 0.17 -0.32 -0.10 0.00 0.82 0.00 0.00 66.70 67.27 3fec h VAL 464 Cb 0.56 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3fec h VAL 464 CO 0.03 0.14 0.01 1.88 0.02 0.00 0.00 177.57 179.65 3fec h TYR 465 N 0.51 1.17 -0.19 1.57 0.99 -1.04 -1.72 116.97 118.27 3fec h TYR 465 Ca 0.14 -0.20 -0.00 0.00 2.00 0.00 0.00 58.73 60.67 3fec h TYR 465 Cb 0.02 -0.31 -0.01 0.00 1.00 0.00 0.00 36.73 37.43 3fec h TYR 465 CO -0.03 1.02 0.10 -0.22 -0.00 0.00 0.00 178.16 179.03 3fec h LYS 466 N 0.98 0.26 -0.12 4.88 3.64 -0.72 -3.03 116.57 122.48 3fec h LYS 466 Ca 0.18 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.37 3fec h LYS 466 Cb 0.55 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 3fec h LYS 466 CO 0.03 0.25 -0.60 -0.07 -2.27 0.00 0.00 179.45 176.79 3fec h LEU 467 N 0.20 0.46 -1.64 5.20 3.38 -0.90 -2.90 115.31 119.10 3fec h LEU 467 Ca 0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3fec h LEU 467 Cb 0.07 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3fec h LEU 467 CO -0.01 0.95 -0.07 0.71 0.09 0.00 0.00 178.44 180.11 3fec h THR 468 N 0.30 0.21 0.00 0.22 1.35 -1.28 -1.24 112.91 112.46 3fec h THR 468 Ca -0.01 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 3fec h THR 468 Cb 1.14 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3fec h THR 468 CO 0.10 0.07 0.00 0.29 -0.25 0.00 0.00 175.52 175.73 3fec n LYS 469 N -3.24 0.14 -0.18 4.72 5.02 -1.09 -1.47 118.16 122.06 3fec n LYS 469 Ca -0.00 0.35 0.05 0.00 -2.02 0.00 0.00 58.31 56.69 3fec n LYS 469 Cb 0.29 -1.76 0.14 0.00 -0.02 0.00 0.00 35.03 33.68 3fec n LYS 469 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3fec n GLU 470 N -2.03 2.74 -4.99 1.97 1.02 -0.48 -4.80 120.64 114.07 3fec n GLU 470 Ca 0.03 -2.14 -0.32 0.00 -0.02 0.00 0.00 57.16 54.70 3fec n GLU 470 Cb 0.23 -1.35 -0.16 0.00 -0.02 0.00 0.00 31.44 30.15 3fec n GLU 470 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3fec s ILE 471 N -1.59 2.58 0.37 -3.67 1.01 -1.17 -5.05 121.20 113.69 3fec s ILE 471 Ca 0.23 -0.83 -0.28 0.00 0.00 0.00 0.00 60.65 59.76 3fec s ILE 471 Cb 0.16 -2.04 -0.10 0.00 0.01 0.00 0.00 42.46 40.48 3fec s ILE 471 CO 0.09 0.54 1.35 -2.84 0.00 0.00 0.00 174.94 174.09 3fec s PRO 472 N 0.30 4.17 0.35 2.79 0.02 -1.26 -0.07 135.00 141.29 3fec s PRO 472 Ca -0.14 2.29 -0.28 0.00 0.02 0.00 0.00 61.00 62.90 3fec s PRO 472 Cb -0.17 -2.95 -0.10 0.00 0.02 0.00 0.00 34.50 31.31 3fec s PRO 472 CO 0.07 -0.37 1.24 0.45 -0.33 0.00 0.00 177.00 178.06 3fec s SER 473 N -0.47 6.74 0.00 2.53 0.15 -0.21 -4.25 113.70 118.18 3fec s SER 473 Ca 0.52 2.54 0.21 0.00 0.70 0.00 0.00 55.95 59.92 3fec s SER 473 Cb -0.41 -2.64 0.58 0.00 -1.71 0.00 0.00 66.02 61.84 3fec s SER 473 CO 0.54 -0.54 1.46 -0.81 1.20 0.00 0.00 173.24 175.09 3fec n PRO 474 N 0.62 2.05 -3.04 5.44 -0.04 -1.26 -4.75 135.00 134.01 3fec n PRO 474 Ca 0.01 -1.60 -0.37 0.00 -0.04 0.00 0.00 63.50 61.50 3fec n PRO 474 Cb 0.43 -1.43 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 3fec n PRO 474 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3fec s ASP 475 N -1.45 7.20 0.30 3.54 1.11 -1.26 -4.78 116.67 121.33 3fec s ASP 475 Ca 0.34 1.52 -0.30 0.00 0.18 0.00 0.00 52.55 54.30 3fec s ASP 475 Cb 0.19 -2.46 -0.11 0.00 1.07 0.00 0.00 42.92 41.61 3fec s ASP 475 CO 0.27 0.10 1.54 -1.81 1.18 0.00 0.00 175.17 176.45 3fec s ASP 476 N -1.45 6.44 0.00 0.27 1.01 -1.26 -1.57 116.67 120.11 3fec s ASP 476 Ca 0.40 2.90 0.00 0.00 0.71 0.00 0.00 52.55 56.56 3fec s ASP 476 Cb -0.19 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.10 3fec s ASP 476 CO 0.23 -0.85 0.00 0.61 0.21 0.00 0.00 175.17 175.37 3fec n GLY 477 N 1.85 1.86 1.08 0.21 0.00 -1.26 -4.89 105.19 104.03 3fec n GLY 477 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 3fec n GLY 477 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fec n PHE 478 N -2.00 0.91 0.30 1.61 3.72 -0.61 -4.85 117.46 116.54 3fec n PHE 478 Ca 0.00 -1.69 0.16 0.00 -0.05 0.00 0.00 57.45 55.87 3fec n PHE 478 Cb 0.00 -0.41 0.92 0.00 -0.94 0.00 0.00 39.48 39.06 3fec n PHE 478 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3fec h GLU 479 N 1.17 0.00 -0.26 -1.08 3.07 -1.86 -1.00 114.58 114.63 3fec h GLU 479 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 3fec h GLU 479 Cb 1.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.27 3fec h GLU 479 CO 0.31 0.02 0.00 -1.13 -1.40 0.00 0.00 179.01 176.81 3fec n SER 480 N -3.71 3.77 -4.44 1.42 3.41 -1.26 -4.92 113.62 107.89 3fec n SER 480 Ca -0.03 -2.96 -0.24 0.00 -0.26 0.00 0.00 58.87 55.39 3fec n SER 480 Cb 0.11 -0.52 -0.10 0.00 -0.26 0.00 0.00 64.21 63.43 3fec n SER 480 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3fec s LYS 481 N -2.71 1.59 0.63 4.33 -0.14 -0.38 -5.06 119.74 118.00 3fec s LYS 481 Ca 0.41 -1.69 -0.09 0.00 -1.36 0.00 0.00 55.97 53.23 3fec s LYS 481 Cb 0.33 -1.70 -0.01 0.00 -1.68 0.00 0.00 37.83 34.77 3fec s LYS 481 CO 0.09 0.33 1.00 -1.54 -0.76 0.00 0.00 175.35 174.47 3fec s SER 482 N -3.29 5.80 0.33 2.83 1.04 -1.26 -1.05 113.70 118.11 3fec s SER 482 Ca 0.27 1.11 0.04 0.00 0.48 0.00 0.00 55.95 57.85 3fec s SER 482 Cb -0.05 -2.08 0.66 0.00 0.10 0.00 0.00 66.02 64.64 3fec s SER 482 CO 0.13 -1.06 1.92 0.25 0.98 0.00 0.00 173.24 175.46 3fec h LEU 483 N -0.36 0.77 -0.30 2.42 5.85 -0.39 -1.53 115.31 121.78 3fec h LEU 483 Ca -0.45 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.33 3fec h LEU 483 Cb 1.23 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 3fec h LEU 483 CO 0.62 0.48 0.04 0.22 -0.34 0.00 0.00 178.44 179.46 3fec h TYR 484 N 0.87 0.05 -0.43 1.25 3.20 -1.51 0.24 116.97 120.64 3fec h TYR 484 Ca 0.38 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.24 3fec h TYR 484 Cb 0.33 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 3fec h TYR 484 CO -0.00 -0.01 0.18 0.93 -1.64 0.00 0.00 178.16 177.62 3fec h GLU 485 N 0.13 0.64 -0.45 1.82 5.08 -1.59 0.31 114.58 120.53 3fec h GLU 485 Ca 0.14 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 3fec h GLU 485 Cb 0.17 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3fec h GLU 485 CO -0.21 0.59 -0.18 0.66 -1.00 0.00 0.00 179.01 178.87 3fec h SER 486 N 0.56 0.90 -0.28 1.42 4.64 -1.26 -1.93 113.55 117.60 3fec h SER 486 Ca 0.15 -0.31 -0.02 0.00 -0.47 0.00 0.00 61.79 61.13 3fec h SER 486 Cb 0.18 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 3fec h SER 486 CO -0.01 1.06 0.10 -0.25 -0.87 0.00 0.00 176.83 176.86 3fec h TRP 487 N 0.78 0.44 -0.74 4.77 7.01 -0.67 -1.52 115.95 126.02 3fec h TRP 487 Ca 0.11 -0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.11 3fec h TRP 487 Cb 0.72 -0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 27.60 3fec h TRP 487 CO 0.04 0.45 0.47 1.25 -2.79 0.00 0.00 178.44 177.86 3fec h LEU 488 N 0.30 0.77 -0.75 0.65 5.85 -0.31 -0.03 115.31 121.79 3fec h LEU 488 Ca 0.09 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 3fec h LEU 488 Cb 0.21 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3fec h LEU 488 CO -0.01 0.53 0.19 -0.08 -0.34 0.00 0.00 178.44 178.74 3fec h GLU 489 N 0.92 1.14 0.00 1.25 4.81 -1.18 -3.12 114.58 118.39 3fec h GLU 489 Ca 0.30 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 3fec h GLU 489 Cb 0.02 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 3fec h GLU 489 CO -0.11 0.99 -1.02 0.87 -0.73 0.00 0.00 179.01 179.00 3fec h LYS 490 N 1.08 0.00 -0.99 1.92 1.57 -0.84 -3.42 116.57 115.89 3fec h LYS 490 Ca 0.23 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.63 3fec h LYS 490 Cb 0.35 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.39 3fec h LYS 490 CO -0.00 0.09 -0.80 -3.47 -0.57 0.00 0.00 179.45 174.70 3fec n ASP 491 N -2.78 -1.17 -4.76 0.86 4.64 -0.07 -5.03 116.55 108.25 3fec n ASP 491 Ca -0.02 -3.13 -0.35 0.00 -1.38 0.00 0.00 54.79 49.91 3fec n ASP 491 Cb 0.63 0.63 0.04 0.00 -1.04 0.00 0.00 41.12 41.38 3fec n ASP 491 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3fec s PRO 492 N -0.53 2.93 0.22 -0.67 0.04 -1.18 -0.54 135.00 135.27 3fec s PRO 492 Ca 0.33 1.71 -0.30 0.00 0.04 0.00 0.00 61.00 62.78 3fec s PRO 492 Cb 0.24 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.76 3fec s PRO 492 CO -0.14 -1.21 1.11 0.45 0.04 0.00 0.00 177.00 177.26 3fec s SER 493 N -1.82 7.24 0.43 6.66 0.15 0.77 -4.25 113.70 122.88 3fec s SER 493 Ca 0.75 2.18 0.12 0.00 0.70 0.00 0.00 55.95 59.69 3fec s SER 493 Cb -0.27 -2.61 0.99 0.00 -1.71 0.00 0.00 66.02 62.41 3fec s SER 493 CO 0.34 -0.22 2.01 1.55 1.20 0.00 0.00 173.24 178.12 3fec h PRO 494 N 4.67 0.42 0.00 5.44 0.13 -1.93 -2.75 132.00 137.98 3fec h PRO 494 Ca -0.45 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 3fec h PRO 494 Cb 1.21 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3fec h PRO 494 CO 0.71 0.28 -0.30 0.93 -0.23 0.00 0.00 178.00 179.39 3fec h GLU 495 N 0.44 0.00 -1.21 0.86 4.39 -1.95 -3.42 114.58 113.68 3fec h GLU 495 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 3fec h GLU 495 Cb 0.35 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 28.77 3fec h GLU 495 CO -0.06 0.30 -0.37 1.21 -1.16 0.00 0.00 179.01 178.93 3fec s ASN 496 N -6.29 -1.03 0.29 1.42 3.84 -1.04 -5.02 114.94 107.11 3fec s ASN 496 Ca 0.03 0.41 0.21 0.00 0.21 0.00 0.00 52.86 53.71 3fec s ASN 496 Cb 0.08 1.85 1.09 0.00 -0.55 0.00 0.00 41.25 43.72 3fec s ASN 496 CO 0.68 -0.29 1.64 0.29 -2.79 0.00 0.00 177.10 176.63 3fec n LYS 497 N 5.41 0.14 -0.06 0.43 5.02 -1.18 -1.44 118.16 126.47 3fec n LYS 497 Ca 0.01 0.59 0.12 0.00 -2.02 0.00 0.00 58.31 57.01 3fec n LYS 497 Cb 0.52 -1.92 0.40 0.00 -0.02 0.00 0.00 35.03 34.00 3fec n LYS 497 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fec n ASN 498 N -2.22 1.80 -4.15 4.39 5.03 -1.26 -4.71 115.26 114.14 3fec n ASN 498 Ca -0.01 -1.68 -0.22 0.00 0.87 0.00 0.00 54.58 53.54 3fec n ASN 498 Cb 0.07 -0.08 -0.14 0.00 -1.02 0.00 0.00 39.78 38.60 3fec n ASN 498 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3fec s LEU 499 N -1.71 2.09 0.68 3.41 1.43 -0.52 -5.06 118.68 119.01 3fec s LEU 499 Ca 0.34 -0.37 -0.14 0.00 -1.03 0.00 0.00 54.13 52.93 3fec s LEU 499 Cb 0.19 -0.75 0.01 0.00 0.03 0.00 0.00 46.19 45.67 3fec s LEU 499 CO 0.29 0.14 1.11 -2.84 0.23 0.00 0.00 176.35 175.27 3fec s PRO 500 N -0.72 2.69 0.13 1.29 0.02 -1.26 -0.16 135.00 136.99 3fec s PRO 500 Ca 0.05 1.36 -0.31 0.00 0.02 0.00 0.00 61.00 62.11 3fec s PRO 500 Cb -0.07 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.42 3fec s PRO 500 CO 0.00 -1.33 1.54 0.50 -0.33 0.00 0.00 177.00 177.38 3fec s ARG 501 N -4.24 4.24 -0.08 5.54 3.52 0.30 -4.35 118.95 123.88 3fec s ARG 501 Ca 0.66 2.28 0.04 0.00 -0.13 0.00 0.00 55.73 58.58 3fec s ARG 501 Cb -0.20 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 29.93 3fec s ARG 501 CO 0.44 -0.59 -0.20 0.42 -0.81 0.00 0.00 175.30 174.56 3fec s ILE 502 N 1.43 1.74 0.51 4.11 1.01 -1.26 -4.55 121.20 124.19 3fec s ILE 502 Ca 0.69 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 60.45 3fec s ILE 502 Cb -0.41 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 3fec s ILE 502 CO 0.31 0.49 0.80 0.20 0.00 0.00 0.00 174.94 176.74 3fec s ASN 503 N 0.28 5.94 0.56 3.58 0.01 -0.22 -4.95 114.94 120.13 3fec s ASN 503 Ca -0.13 0.73 -0.18 0.00 -0.71 0.00 0.00 52.86 52.57 3fec s ASN 503 Cb -0.16 -1.92 -0.05 0.00 0.41 0.00 0.00 41.25 39.53 3fec s ASN 503 CO 0.06 -0.77 1.09 -0.54 -1.51 0.00 0.00 177.10 175.42 3fec s LYS 504 N -4.79 3.38 -0.02 -0.60 1.02 -1.26 -2.03 119.74 115.44 3fec s LYS 504 Ca 0.50 1.44 -0.29 0.00 0.02 0.00 0.00 55.97 57.63 3fec s LYS 504 Cb -0.10 -2.03 -0.03 0.00 -0.52 0.00 0.00 37.83 35.15 3fec s LYS 504 CO 0.44 -0.79 0.96 -0.51 -0.92 0.00 0.00 175.35 174.52 3fec s LEU 505 N -4.01 4.35 0.00 3.17 1.43 -1.26 -4.60 118.68 117.75 3fec s LEU 505 Ca 0.69 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 3fec s LEU 505 Cb -0.20 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.49 3fec s LEU 505 CO 0.29 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.20 3fec n GLY 506 N 2.95 0.69 3.63 -3.19 0.00 -1.26 -4.69 105.19 103.32 3fec n GLY 506 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 3fec n GLY 506 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fec s SER 507 N 0.23 0.36 0.00 1.61 1.04 -1.18 -4.48 113.70 111.28 3fec s SER 507 Ca 0.00 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.21 3fec s SER 507 Cb 0.00 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.84 3fec s SER 507 CO 0.00 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.43 3fec n GLY 508 N -0.51 0.83 3.44 7.32 0.00 -1.26 -4.39 105.19 110.62 3fec n GLY 508 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 3fec n GLY 508 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fec s SER 509 N -2.23 1.19 0.12 1.61 0.15 -1.26 -5.05 113.70 108.23 3fec s SER 509 Ca 0.00 -1.59 0.13 0.00 0.70 0.00 0.00 55.95 55.19 3fec s SER 509 Cb 0.00 0.65 0.61 0.00 -1.71 0.00 0.00 66.02 65.57 3fec s SER 509 CO 0.00 -1.27 1.40 0.47 1.20 0.00 0.00 173.24 175.05 3fec n ASP 510 N -1.55 0.25 0.09 5.45 8.00 -1.26 -1.84 116.55 125.69 3fec n ASP 510 Ca 0.03 0.59 0.10 0.00 0.71 0.00 0.00 54.79 56.21 3fec n ASP 510 Cb 0.62 -0.63 0.42 0.00 -0.02 0.00 0.00 41.12 41.50 3fec n ASP 510 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 3fec n PHE 511 N -1.81 0.53 0.03 1.24 1.16 -1.26 -4.17 117.46 113.18 3fec n PHE 511 Ca 0.01 0.22 -0.11 0.00 -1.87 0.00 0.00 57.45 55.69 3fec n PHE 511 Cb 0.10 -0.85 -0.06 0.00 -1.61 0.00 0.00 39.48 37.05 3fec n PHE 511 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 3fec h GLU 512 N 0.00 0.01 -0.40 3.97 4.81 -1.72 -1.05 114.58 120.20 3fec h GLU 512 Ca 0.00 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 3fec h GLU 512 Cb 0.27 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 3fec h GLU 512 CO 0.00 0.01 -0.15 0.00 -0.73 0.00 0.00 179.01 178.13 3fec h ALA 513 N 1.03 0.97 -0.52 2.92 0.00 -1.85 0.20 119.26 122.01 3fec h ALA 513 Ca 0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3fec h ALA 513 Cb 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3fec h ALA 513 CO -0.02 0.61 0.24 1.88 0.00 0.00 0.00 179.25 181.95 3fec h TYR 514 N 0.67 0.75 0.00 0.00 -1.99 -1.64 -0.88 116.97 113.88 3fec h TYR 514 Ca 0.11 -0.04 -0.05 0.00 2.00 0.00 0.00 58.73 60.75 3fec h TYR 514 Cb 0.64 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 39.13 3fec h TYR 514 CO 0.03 0.59 -0.36 0.35 -0.00 0.00 0.00 178.16 178.78 3fec h PHE 515 N 0.69 0.00 0.00 4.88 3.57 -1.04 0.53 116.94 125.57 3fec h PHE 515 Ca 0.18 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 3fec h PHE 515 Cb 0.13 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3fec h PHE 515 CO -0.00 0.67 -0.45 1.96 -2.23 0.00 0.00 178.31 178.26 3fec h GLN 516 N -1.00 0.00 0.00 1.11 1.08 -0.71 -1.68 115.11 113.91 3fec h GLN 516 Ca -0.08 0.00 -0.43 0.00 -1.45 0.00 0.00 58.65 56.69 3fec h GLN 516 Cb 0.71 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.07 3fec h GLN 516 CO -0.05 0.19 -2.44 -2.13 -0.95 0.00 0.00 178.83 173.46 3fec n ARG 517 N -3.06 0.61 0.01 1.46 0.63 -0.81 -1.07 116.66 114.42 3fec n ARG 517 Ca 0.01 0.26 0.11 0.00 -0.92 0.00 0.00 57.85 57.31 3fec n ARG 517 Cb 0.63 -1.52 -0.06 0.00 0.45 0.00 0.00 32.46 31.96 3fec n ARG 517 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3fec n LEU 518 N -4.02 0.59 -1.48 6.15 4.77 -0.40 -4.74 117.00 117.88 3fec n LEU 518 Ca -0.51 -0.17 -0.09 0.00 -0.03 0.00 0.00 56.01 55.21 3fec n LEU 518 Cb 0.90 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.97 3fec n LEU 518 CO 0.10 0.10 0.04 0.61 -1.33 0.00 0.00 177.39 176.91 3fec n GLY 519 N 1.39 0.27 3.60 -0.72 0.00 -0.63 -4.80 105.19 104.30 3fec n GLY 519 Ca 0.01 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 3fec n GLY 519 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fec s ILE 520 N -2.92 5.25 -0.01 -0.61 1.01 0.09 -2.92 121.20 121.10 3fec s ILE 520 Ca 0.16 0.34 -0.38 0.00 0.00 0.00 0.00 60.65 60.77 3fec s ILE 520 Cb -0.07 -3.60 -0.17 0.00 0.01 0.00 0.00 42.46 38.63 3fec s ILE 520 CO 0.20 0.21 1.40 0.00 0.00 0.00 0.00 174.94 176.76 3fec n ALA 521 N 5.16 -1.06 -2.29 9.38 0.00 -1.26 -4.01 120.51 126.42 3fec n ALA 521 Ca -0.12 0.50 -0.14 0.00 0.00 0.00 0.00 53.44 53.68 3fec n ALA 521 Cb 0.51 -2.07 -0.10 0.00 0.00 0.00 0.00 19.45 17.79 3fec n ALA 521 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3fec s SER 522 N 1.10 1.64 -0.03 0.00 0.01 -1.26 -0.76 113.70 114.40 3fec s SER 522 Ca 0.88 -0.97 -0.21 0.00 1.31 0.00 0.00 55.95 56.97 3fec s SER 522 Cb -1.02 0.01 0.04 0.00 0.21 0.00 0.00 66.02 65.26 3fec s SER 522 CO 0.52 -0.33 0.45 -0.83 0.41 0.00 0.00 173.24 173.46 3fec s GLY 523 N -2.98 -0.31 0.02 3.44 0.00 -0.60 -2.04 107.32 104.84 3fec s GLY 523 Ca 0.13 0.69 -0.04 0.00 0.00 0.00 0.00 44.72 45.51 3fec s GLY 523 CO -0.00 0.42 0.05 1.09 0.00 0.00 0.00 173.10 174.66 3fec s ARG 524 N -1.30 0.47 -0.09 2.90 1.70 0.27 -1.69 118.95 121.20 3fec s ARG 524 Ca -0.12 -0.67 -0.09 0.00 -0.47 0.00 0.00 55.73 54.38 3fec s ARG 524 Cb -0.03 0.18 0.02 0.00 -0.57 0.00 0.00 34.95 34.55 3fec s ARG 524 CO 0.06 -0.10 0.26 0.00 -1.08 0.00 0.00 175.30 174.44 3fec s ALA 525 N -2.06 -0.63 0.23 7.88 0.00 -1.26 -1.54 121.76 124.38 3fec s ALA 525 Ca -0.10 0.70 -0.21 0.00 0.00 0.00 0.00 51.96 52.35 3fec s ALA 525 Cb -0.05 -0.40 0.04 0.00 0.00 0.00 0.00 23.12 22.71 3fec s ALA 525 CO -0.02 -0.13 0.66 -0.98 0.00 0.00 0.00 175.76 175.29 3fec s ARG 526 N 0.08 1.58 0.26 0.00 1.70 -0.64 -4.88 118.95 117.05 3fec s ARG 526 Ca -0.01 -0.81 -0.17 0.00 -0.47 0.00 0.00 55.73 54.28 3fec s ARG 526 Cb -0.02 0.60 -0.08 0.00 -0.57 0.00 0.00 34.95 34.87 3fec s ARG 526 CO 0.00 -0.71 0.70 0.71 -1.08 0.00 0.00 175.30 174.92 3fec s TYR 527 N -3.86 3.52 0.29 5.89 1.51 -0.02 -0.55 117.35 124.14 3fec s TYR 527 Ca 0.08 1.25 0.02 0.00 -1.01 0.00 0.00 57.07 57.41 3fec s TYR 527 Cb -0.04 -2.54 -0.02 0.00 -0.11 0.00 0.00 41.96 39.25 3fec s TYR 527 CO -0.00 0.24 0.29 -0.08 -1.11 0.00 0.00 175.55 174.89 3fec s THR 528 N -1.73 0.00 0.81 -0.71 -1.32 0.38 -1.13 115.64 111.94 3fec s THR 528 Ca 0.47 -1.88 -0.12 0.00 -1.21 0.00 0.00 61.69 58.95 3fec s THR 528 Cb -0.13 -2.51 0.08 0.00 -1.51 0.00 0.00 72.50 68.42 3fec s THR 528 CO 0.19 0.00 1.17 -1.59 -2.21 0.00 0.00 174.62 172.18 3fec s LYS 529 N -3.59 1.94 -0.56 7.08 -2.85 -1.26 -0.69 119.74 119.81 3fec s LYS 529 Ca 0.37 0.17 -0.24 0.00 -1.00 0.00 0.00 55.97 55.26 3fec s LYS 529 Cb 0.03 -1.94 0.04 0.00 -2.06 0.00 0.00 37.83 33.90 3fec s LYS 529 CO 0.21 -1.63 0.95 1.21 0.10 0.00 0.00 175.35 176.19 3fec s ASN 530 N -4.49 6.33 0.43 0.03 3.84 -1.26 -4.68 114.94 115.14 3fec s ASN 530 Ca 0.62 -0.37 0.29 0.00 0.21 0.00 0.00 52.86 53.61 3fec s ASN 530 Cb -0.11 -2.44 1.12 0.00 -0.55 0.00 0.00 41.25 39.26 3fec s ASN 530 CO 0.50 -1.24 1.85 0.07 -2.79 0.00 0.00 177.10 175.49 3fec h LYS 531 N 9.33 0.00 0.00 0.43 2.10 -1.96 0.41 116.57 126.88 3fec h LYS 531 Ca -0.26 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.38 3fec h LYS 531 Cb 1.07 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.40 3fec h LYS 531 CO 1.09 0.00 -0.02 1.57 -2.00 0.00 0.00 179.45 180.09 3fec h LYS 532 N 0.00 0.00 0.00 0.07 5.09 -1.97 -3.38 116.57 116.38 3fec h LYS 532 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.72 3fec h LYS 532 Cb 0.52 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.85 3fec h LYS 532 CO 0.00 0.02 -1.07 0.25 -2.09 0.00 0.00 179.45 176.57 3fec n THR 533 N -3.11 0.07 -3.24 0.07 -2.24 -1.01 -4.97 114.28 99.86 3fec n THR 533 Ca 0.03 -0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 3fec n THR 533 Cb 0.45 -0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 67.80 3fec n THR 533 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3fec s ASP 534 N -3.51 6.22 0.00 3.42 1.01 0.14 -4.92 116.67 119.03 3fec s ASP 534 Ca -0.01 -0.77 0.15 0.00 0.71 0.00 0.00 52.55 52.64 3fec s ASP 534 Cb 0.00 -2.26 0.02 0.00 1.01 0.00 0.00 42.92 41.70 3fec s ASP 534 CO 0.04 -0.72 0.86 0.29 0.21 0.00 0.00 175.17 175.84 3fec n LYS 535 N 5.86 1.64 -1.25 8.23 4.76 -1.26 -4.40 118.16 131.73 3fec n LYS 535 Ca -0.07 -0.91 -0.32 0.00 -2.87 0.00 0.00 58.31 54.14 3fec n LYS 535 Cb 0.46 -1.26 0.10 0.00 -1.84 0.00 0.00 35.03 32.50 3fec n LYS 535 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 3fec s TYR 536 N -1.72 2.22 0.36 2.13 1.13 -1.26 -4.99 117.35 115.22 3fec s TYR 536 Ca 0.14 1.63 -0.21 0.00 -1.41 0.00 0.00 57.07 57.22 3fec s TYR 536 Cb 0.12 -3.24 -0.10 0.00 -1.10 0.00 0.00 41.96 37.64 3fec s TYR 536 CO 0.35 -2.21 0.88 -1.12 -2.51 0.00 0.00 175.55 170.93 3fec s SER 537 N -2.75 7.00 0.53 -0.18 0.01 0.19 -4.89 113.70 113.60 3fec s SER 537 Ca 0.67 1.60 0.00 0.00 1.31 0.00 0.00 55.95 59.53 3fec s SER 537 Cb -0.22 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.51 3fec s SER 537 CO 0.51 -0.22 0.00 -1.20 0.41 0.00 0.00 173.24 172.74 3fec n SER 538 N -0.17 0.00 -3.96 2.44 7.64 -1.26 -4.41 113.62 113.90 3fec n SER 538 Ca 0.04 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.83 3fec n SER 538 Cb 0.53 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.63 3fec n SER 538 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 3fec s TYR 539 N 0.00 0.25 0.25 1.43 -0.85 -1.26 -5.01 117.35 112.16 3fec s TYR 539 Ca 0.00 -0.55 -0.03 0.00 -0.52 0.00 0.00 57.07 55.96 3fec s TYR 539 Cb 0.00 -0.18 0.50 0.00 0.38 0.00 0.00 41.96 42.65 3fec s TYR 539 CO 0.00 -0.30 1.70 -1.35 -1.52 0.00 0.00 175.55 174.08 3fec h PRO 540 N 3.98 0.34 -0.61 -3.49 0.11 -1.77 -1.70 132.00 128.86 3fec h PRO 540 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3fec h PRO 540 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3fec h PRO 540 CO 0.48 0.23 0.00 1.33 -0.21 0.00 0.00 178.00 179.83 3fec n VAL 541 N -5.08 1.27 -1.66 3.15 0.24 -1.26 -4.44 118.33 110.55 3fec n VAL 541 Ca 0.15 -0.87 -0.55 0.00 -2.04 0.00 0.00 64.34 61.03 3fec n VAL 541 Cb 0.47 0.10 -0.07 0.00 -1.47 0.00 0.00 33.84 32.88 3fec n VAL 541 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fec n TYR 542 N 0.89 1.81 -1.69 6.34 9.36 -0.64 -1.40 117.16 131.82 3fec n TYR 542 Ca 0.20 0.58 -0.15 0.00 3.32 0.00 0.00 57.90 61.85 3fec n TYR 542 Cb 0.66 -2.40 -0.05 0.00 -0.63 0.00 0.00 39.34 36.92 3fec n TYR 542 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3fec n HIS 543 N 4.10 -0.22 -4.20 2.98 8.25 -1.26 -4.74 115.22 120.13 3fec n HIS 543 Ca 0.23 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.41 3fec n HIS 543 Cb 0.16 -2.75 -0.04 0.00 1.12 0.00 0.00 29.99 28.48 3fec n HIS 543 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3fec s THR 544 N -2.60 1.62 -0.41 1.59 -4.23 -0.50 -1.33 115.64 109.79 3fec s THR 544 Ca 0.00 -1.69 0.22 0.00 -1.18 0.00 0.00 61.69 59.04 3fec s THR 544 Cb 0.00 -2.31 0.23 0.00 1.34 0.00 0.00 72.50 71.76 3fec s THR 544 CO 0.00 0.00 1.67 0.00 -0.54 0.00 0.00 174.62 175.75 3fec n ILE 545 N -1.51 0.93 0.76 2.99 3.06 -1.26 -3.21 119.36 121.12 3fec n ILE 545 Ca -0.07 0.41 0.06 0.00 -2.50 0.00 0.00 62.75 60.65 3fec n ILE 545 Cb 0.65 -1.36 0.18 0.00 0.54 0.00 0.00 39.64 39.65 3fec n ILE 545 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 3fec n TYR 546 N -2.21 0.52 -2.60 9.51 4.01 -1.26 -4.59 117.16 120.54 3fec n TYR 546 Ca 0.01 -0.26 -0.43 0.00 -0.16 0.00 0.00 57.90 57.06 3fec n TYR 546 Cb 0.16 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.18 3fec n TYR 546 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3fec s GLU 547 N -1.48 3.88 0.29 -0.72 2.02 -1.20 -4.76 118.70 116.73 3fec s GLU 547 Ca 0.26 -1.78 0.10 0.00 0.02 0.00 0.00 54.97 53.58 3fec s GLU 547 Cb 0.14 -5.46 -0.05 0.00 0.10 0.00 0.00 34.13 28.86 3fec s GLU 547 CO 0.18 -2.22 -0.06 0.95 0.02 0.00 0.00 175.26 174.13 3fec s THR 548 N 4.29 2.94 0.27 3.63 -4.23 -1.26 -1.74 115.64 119.55 3fec s THR 548 Ca 0.51 -2.08 -0.00 0.00 -1.18 0.00 0.00 61.69 58.93 3fec s THR 548 Cb 0.02 -2.66 0.25 0.00 1.34 0.00 0.00 72.50 71.45 3fec s THR 548 CO 0.02 -0.34 1.78 0.15 -0.54 0.00 0.00 174.62 175.69 3fec h PHE 549 N 1.99 0.86 -0.69 3.99 3.04 -1.92 -1.88 116.94 122.33 3fec h PHE 549 Ca -0.43 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.53 3fec h PHE 549 Cb 1.25 -0.25 -0.03 0.00 2.56 0.00 0.00 35.95 39.48 3fec h PHE 549 CO 0.73 0.24 0.33 0.93 -2.02 0.00 0.00 178.31 178.52 3fec h GLU 550 N 0.71 0.98 -0.31 1.11 3.07 -1.95 -0.67 114.58 117.50 3fec h GLU 550 Ca 0.47 -0.13 0.06 0.00 -0.50 0.00 0.00 59.36 59.26 3fec h GLU 550 Cb 0.63 -0.18 -0.05 0.00 -0.84 0.00 0.00 28.75 28.31 3fec h GLU 550 CO -0.34 0.76 -0.00 1.25 -1.40 0.00 0.00 179.01 179.28 3fec h LEU 551 N 0.97 -0.13 -0.12 1.33 5.85 -1.64 0.16 115.31 121.72 3fec h LEU 551 Ca 0.24 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.97 3fec h LEU 551 Cb 0.11 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 3fec h LEU 551 CO -0.03 -0.03 -0.15 0.58 -0.34 0.00 0.00 178.44 178.47 3fec h VAL 552 N 0.09 1.36 -0.45 1.05 2.07 -1.20 -1.22 116.25 117.96 3fec h VAL 552 Ca 0.15 -1.35 -0.12 0.00 0.82 0.00 0.00 66.70 66.21 3fec h VAL 552 Cb 0.20 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3fec h VAL 552 CO -0.26 0.39 -0.19 -0.08 0.02 0.00 0.00 177.57 177.46 3fec h GLU 553 N -0.09 0.91 0.04 1.57 4.81 -1.00 -1.27 114.58 119.55 3fec h GLU 553 Ca 0.02 -0.39 -0.22 0.00 -0.13 0.00 0.00 59.36 58.64 3fec h GLU 553 Cb 0.69 -0.03 0.02 0.00 0.63 0.00 0.00 28.75 30.06 3fec h GLU 553 CO 0.04 1.04 -0.88 0.87 -0.73 0.00 0.00 179.01 179.34 3fec h LYS 554 N 0.75 0.53 0.00 1.92 1.79 -0.71 -3.00 116.57 117.85 3fec h LYS 554 Ca 0.10 -0.62 -0.08 0.00 -2.18 0.00 0.00 60.65 57.87 3fec h LYS 554 Cb 0.75 0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.58 3fec h LYS 554 CO 0.06 1.24 -1.44 1.19 -1.08 0.00 0.00 179.45 179.42 3fec n PHE 555 N -4.02 0.00 -0.12 -1.35 3.72 -0.47 -4.77 117.46 110.45 3fec n PHE 555 Ca -0.12 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.02 3fec n PHE 555 Cb 0.81 -0.28 -0.11 0.00 -0.94 0.00 0.00 39.48 38.96 3fec n PHE 555 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3fec n TYR 556 N -2.07 0.33 -2.75 1.38 4.02 -0.88 -4.94 117.16 112.26 3fec n TYR 556 Ca -0.08 0.13 -0.08 0.00 -0.01 0.00 0.00 57.90 57.87 3fec n TYR 556 Cb 0.52 -1.03 0.06 0.00 -0.02 0.00 0.00 39.34 38.86 3fec n TYR 556 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3fec n ASP 557 N -4.21 -2.79 -0.05 7.72 2.03 -0.53 -4.69 116.55 114.04 3fec n ASP 557 Ca -0.47 -3.35 0.11 0.00 0.52 0.00 0.00 54.79 51.60 3fec n ASP 557 Cb 0.84 1.84 0.51 0.00 -0.72 0.00 0.00 41.12 43.59 3fec n ASP 557 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3fec h PRO 558 N 3.81 0.38 -0.00 -0.67 0.11 -1.70 -0.43 132.00 133.50 3fec h PRO 558 Ca -0.14 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3fec h PRO 558 Cb 1.04 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3fec h PRO 558 CO 0.29 0.25 -0.28 0.25 -0.21 0.00 0.00 178.00 178.29 3fec n THR 559 N -4.47 0.00 -0.98 -1.15 -2.24 -1.26 -4.92 114.28 99.26 3fec n THR 559 Ca 0.08 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3fec n THR 559 Cb 0.32 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 3fec n THR 559 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3fec n PHE 560 N -1.49 0.00 0.13 4.78 3.72 -0.17 -4.78 117.46 119.65 3fec n PHE 560 Ca 0.06 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.46 3fec n PHE 560 Cb 0.34 -1.73 0.26 0.00 -0.94 0.00 0.00 39.48 37.41 3fec n PHE 560 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3fec h LYS 561 N 0.14 0.12 -0.20 -1.08 1.57 -1.91 -0.66 116.57 114.54 3fec h LYS 561 Ca 0.00 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 3fec h LYS 561 Cb 0.83 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3fec h LYS 561 CO 0.00 0.54 -0.40 0.87 -0.57 0.00 0.00 179.45 179.89 3fec h LYS 562 N 0.10 0.62 -0.58 3.15 1.57 -1.89 -1.51 116.57 118.03 3fec h LYS 562 Ca 0.01 -0.40 -0.04 0.00 -1.87 0.00 0.00 60.65 58.34 3fec h LYS 562 Cb 0.82 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 3fec h LYS 562 CO 0.06 1.02 0.21 1.96 -0.57 0.00 0.00 179.45 182.13 3fec h GLN 563 N 0.30 0.85 -0.67 3.15 4.20 -1.87 -2.06 115.11 119.03 3fec h GLN 563 Ca 0.01 -0.14 0.01 0.00 0.06 0.00 0.00 58.65 58.58 3fec h GLN 563 Cb 1.00 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 3fec h GLN 563 CO 0.09 0.72 0.44 1.25 -0.67 0.00 0.00 178.83 180.66 3fec h LEU 564 N 0.84 0.77 -1.41 1.46 5.85 -0.88 -1.23 115.31 120.70 3fec h LEU 564 Ca 0.20 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3fec h LEU 564 Cb 0.20 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3fec h LEU 564 CO -0.01 0.56 0.13 0.77 -0.34 0.00 0.00 178.44 179.55 3fec h SER 565 N 0.90 0.47 -0.28 1.25 4.64 -0.58 0.11 113.55 120.06 3fec h SER 565 Ca 0.24 -0.05 -0.17 0.00 -0.47 0.00 0.00 61.79 61.35 3fec h SER 565 Cb -0.10 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 61.86 3fec h SER 565 CO -0.05 0.45 -0.45 0.58 -0.87 0.00 0.00 176.83 176.48 3fec h VAL 566 N 0.52 1.28 -0.66 0.95 2.07 -0.99 -1.15 116.25 118.27 3fec h VAL 566 Ca 0.13 -1.63 -0.08 0.00 0.82 0.00 0.00 66.70 65.93 3fec h VAL 566 Cb 0.13 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3fec h VAL 566 CO -0.01 0.54 0.09 0.00 0.02 0.00 0.00 177.57 178.20 3fec h ALA 567 N 0.80 0.90 -0.47 1.67 0.00 -0.49 -0.44 119.26 121.23 3fec h ALA 567 Ca 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3fec h ALA 567 Cb 1.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3fec h ALA 567 CO 0.10 0.67 0.19 1.96 0.00 0.00 0.00 179.25 182.18 3fec h GLN 568 N 1.03 0.69 -0.35 0.00 4.20 -0.65 0.01 115.11 120.03 3fec h GLN 568 Ca 0.20 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 3fec h GLN 568 Cb 0.47 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3fec h GLN 568 CO 0.02 0.62 -0.08 1.25 -0.67 0.00 0.00 178.83 179.97 3fec h LEU 569 N 0.61 0.68 -0.64 1.46 5.85 -0.95 0.44 115.31 122.76 3fec h LEU 569 Ca 0.16 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 3fec h LEU 569 Cb 0.18 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3fec h LEU 569 CO -0.01 0.88 0.26 0.03 -0.34 0.00 0.00 178.44 179.26 3fec h ARG 570 N 0.47 0.95 -0.47 1.25 3.08 -1.01 -0.49 114.38 118.15 3fec h ARG 570 Ca 0.09 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 3fec h ARG 570 Cb 0.58 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3fec h ARG 570 CO 0.03 0.80 0.12 0.78 -1.07 0.00 0.00 179.97 180.63 3fec h GLY 571 N 0.90 0.81 1.60 0.04 0.00 -0.93 -2.48 103.07 103.01 3fec h GLY 571 Ca 0.21 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 3fec h GLY 571 CO -0.02 0.47 -0.21 0.00 0.00 0.00 0.00 176.54 176.78 3fec h ALA 572 N 0.98 1.16 0.13 3.60 0.00 -0.65 0.26 119.26 124.74 3fec h ALA 572 Ca 0.15 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3fec h ALA 572 Cb 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3fec h ALA 572 CO 0.00 0.53 -0.06 -0.07 0.00 0.00 0.00 179.25 179.65 3fec h LEU 573 N 0.42 -0.14 -0.45 0.00 3.38 -0.98 -0.25 115.31 117.28 3fec h LEU 573 Ca 0.07 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.06 3fec h LEU 573 Cb 0.61 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 3fec h LEU 573 CO 0.04 -0.06 0.18 0.58 0.09 0.00 0.00 178.44 179.27 3fec h VAL 574 N -0.22 0.89 -0.07 1.22 2.07 -1.14 -1.86 116.25 117.13 3fec h VAL 574 Ca -0.02 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3fec h VAL 574 Cb 0.17 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3fec h VAL 574 CO 0.03 0.07 0.05 0.22 0.02 0.00 0.00 177.57 177.95 3fec h TYR 575 N 0.36 0.09 -0.20 1.57 3.20 -0.58 -0.11 116.97 121.30 3fec h TYR 575 Ca 0.21 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.98 3fec h TYR 575 Cb 0.18 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3fec h TYR 575 CO -0.14 0.08 -0.32 0.93 -1.64 0.00 0.00 178.16 177.07 3fec h GLU 576 N 0.08 0.41 -0.13 1.82 4.39 -0.83 -0.11 114.58 120.22 3fec h GLU 576 Ca 0.03 -0.17 -0.14 0.00 0.34 0.00 0.00 59.36 59.41 3fec h GLU 576 Cb 0.01 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3fec h GLU 576 CO -0.01 0.69 -0.53 -0.07 -1.16 0.00 0.00 179.01 177.93 3fec h LEU 577 N 0.36 0.42 0.00 1.33 3.38 -1.04 -2.35 115.31 117.41 3fec h LEU 577 Ca 0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3fec h LEU 577 Cb 0.73 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 3fec h LEU 577 CO 0.06 0.87 -0.86 1.62 0.09 0.00 0.00 178.44 180.22 3fec h VAL 578 N 0.30 0.10 0.00 1.22 3.04 -0.63 -3.40 116.25 116.87 3fec h VAL 578 Ca 0.01 -1.18 -0.02 0.00 -1.01 0.00 0.00 66.70 64.50 3fec h VAL 578 Cb 1.03 1.69 -0.00 0.00 -2.01 0.00 0.00 31.29 31.99 3fec h VAL 578 CO 0.09 0.06 -1.44 -0.67 -1.01 0.00 0.00 177.57 174.59 3fec n ASP 579 N -2.80 2.90 -4.74 3.17 4.64 -0.09 -0.84 116.55 118.79 3fec n ASP 579 Ca -0.00 0.00 -0.41 0.00 -1.38 0.00 0.00 54.79 52.99 3fec n ASP 579 Cb 0.59 1.33 -0.03 0.00 -1.04 0.00 0.00 41.12 41.97 3fec n ASP 579 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 3fec s SER 580 N -3.18 6.86 0.12 1.67 0.15 -0.89 -4.65 113.70 113.77 3fec s SER 580 Ca -0.03 2.47 -0.20 0.00 0.70 0.00 0.00 55.95 58.88 3fec s SER 580 Cb 0.05 -2.62 -0.06 0.00 -1.71 0.00 0.00 66.02 61.69 3fec s SER 580 CO 0.38 -0.54 1.74 0.50 1.20 0.00 0.00 173.24 176.52 3fec h LYS 581 N 5.09 0.11 -5.19 5.44 3.64 -1.94 -3.38 116.57 120.34 3fec h LYS 581 Ca -0.45 -0.01 -0.62 0.00 -1.27 0.00 0.00 60.65 58.30 3fec h LYS 581 Cb 1.22 -0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 32.87 3fec h LYS 581 CO 0.76 0.07 -0.37 0.42 -2.27 0.00 0.00 179.45 178.06 3fec s ILE 582 N -6.18 5.28 0.17 2.00 -1.09 -1.26 -5.00 121.20 115.11 3fec s ILE 582 Ca -0.13 0.41 -0.34 0.00 -2.23 0.00 0.00 60.65 58.36 3fec s ILE 582 Cb 0.09 -3.61 -0.14 0.00 -1.58 0.00 0.00 42.46 37.22 3fec s ILE 582 CO 0.68 0.28 1.58 -0.38 -1.23 0.00 0.00 174.94 175.87 3fec n ILE 583 N 4.49 0.03 -1.95 2.92 5.41 -1.26 -4.84 119.36 124.16 3fec n ILE 583 Ca -0.12 -0.01 -0.41 0.00 1.00 0.00 0.00 62.75 63.22 3fec n ILE 583 Cb 0.52 -1.55 -0.01 0.00 -0.71 0.00 0.00 39.64 37.89 3fec n ILE 583 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3fec n PRO 584 N 3.38 3.91 -4.14 0.38 -0.04 -1.26 -4.89 135.00 132.34 3fec n PRO 584 Ca 0.17 -3.15 -0.27 0.00 -0.04 0.00 0.00 63.50 60.20 3fec n PRO 584 Cb 0.29 -2.84 -0.07 0.00 -0.04 0.00 0.00 33.50 30.84 3fec n PRO 584 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3fec s PHE 585 N 0.48 2.99 -0.16 0.54 0.08 -1.26 -4.52 117.98 116.13 3fec s PHE 585 Ca 0.51 -0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.50 3fec s PHE 585 Cb 0.15 -1.47 0.03 0.00 -0.57 0.00 0.00 43.02 41.16 3fec s PHE 585 CO -0.06 0.51 -0.13 1.21 -0.10 0.00 0.00 175.22 176.65 3fec s ASN 586 N -2.82 2.79 0.17 1.36 3.84 -0.82 -5.00 114.94 114.46 3fec s ASN 586 Ca 0.28 -0.55 0.16 0.00 0.21 0.00 0.00 52.86 52.96 3fec s ASN 586 Cb -0.10 -1.17 -0.04 0.00 -0.55 0.00 0.00 41.25 39.39 3fec s ASN 586 CO 0.20 -0.08 1.12 0.40 -2.79 0.00 0.00 177.10 175.96 3fec h ILE 587 N 6.12 0.65 -0.13 -5.21 2.04 -1.91 -3.21 117.51 115.85 3fec h ILE 587 Ca -0.36 -2.05 -0.04 0.00 1.00 0.00 0.00 64.86 63.41 3fec h ILE 587 Cb 1.13 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 39.39 3fec h ILE 587 CO 0.51 0.37 -0.08 1.56 0.00 0.00 0.00 178.15 180.51 3fec h GLN 588 N 0.00 0.20 -0.06 2.37 4.20 -1.95 -0.67 115.11 119.19 3fec h GLN 588 Ca -0.08 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.54 3fec h GLN 588 Cb 1.46 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.20 3fec h GLN 588 CO 0.05 0.30 -0.21 -0.44 -0.67 0.00 0.00 178.83 177.86 3fec h ASP 589 N 0.20 0.10 -0.39 1.46 3.32 -1.86 -1.01 116.42 118.24 3fec h ASP 589 Ca 0.04 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 3fec h ASP 589 Cb 0.27 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3fec h ASP 589 CO 0.01 0.32 -0.14 0.22 -1.72 0.00 0.00 179.24 177.93 3fec h TYR 590 N 0.10 0.88 -0.55 4.55 5.03 -1.30 -1.62 116.97 124.06 3fec h TYR 590 Ca 0.02 -0.21 0.03 0.00 2.58 0.00 0.00 58.73 61.15 3fec h TYR 590 Cb 0.43 -0.21 -0.04 0.00 1.55 0.00 0.00 36.73 38.47 3fec h TYR 590 CO 0.00 0.93 0.32 0.00 -1.32 0.00 0.00 178.16 178.10 3fec h ALA 591 N 0.82 0.71 -0.26 1.82 0.00 -0.59 -0.43 119.26 121.32 3fec h ALA 591 Ca 0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3fec h ALA 591 Cb 0.68 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3fec h ALA 591 CO 0.05 0.03 -0.18 0.93 0.00 0.00 0.00 179.25 180.08 3fec h GLU 592 N 0.63 0.46 -0.28 0.00 5.08 -1.08 -1.99 114.58 117.41 3fec h GLU 592 Ca 0.23 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3fec h GLU 592 Cb 0.05 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3fec h GLU 592 CO -0.11 0.62 0.07 0.00 -1.00 0.00 0.00 179.01 178.59 3fec h ALA 593 N 1.40 0.37 -0.44 3.43 0.00 -0.69 -1.93 119.26 121.40 3fec h ALA 593 Ca 0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3fec h ALA 593 Cb 0.55 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3fec h ALA 593 CO 0.04 0.02 0.13 -0.07 0.00 0.00 0.00 179.25 179.36 3fec h LEU 594 N 0.29 0.59 -0.75 0.00 3.38 -0.87 -0.37 115.31 117.59 3fec h LEU 594 Ca 0.09 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3fec h LEU 594 Cb 0.27 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3fec h LEU 594 CO -0.00 0.58 0.36 0.11 0.09 0.00 0.00 178.44 179.57 3fec h LYS 595 N 0.64 1.08 -0.53 1.13 1.57 -0.95 -0.20 116.57 119.31 3fec h LYS 595 Ca 0.15 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3fec h LYS 595 Cb 0.21 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 3fec h LYS 595 CO -0.01 0.85 0.33 -0.97 -0.57 0.00 0.00 179.45 179.08 3fec h ASN 596 N 1.06 0.64 0.07 0.86 -0.73 -0.52 -1.91 115.58 115.06 3fec h ASN 596 Ca 0.26 -0.05 -0.18 0.00 1.87 0.00 0.00 56.30 58.19 3fec h ASN 596 Cb 0.13 -0.16 -0.00 0.00 0.27 0.00 0.00 38.32 38.55 3fec h ASN 596 CO -0.03 0.50 -0.66 1.88 -0.37 0.00 0.00 177.43 178.75 3fec h TYR 597 N 0.72 0.72 -0.02 0.67 0.05 -0.79 -1.07 116.97 117.25 3fec h TYR 597 Ca 0.19 -0.29 -0.00 0.00 0.05 0.00 0.00 58.73 58.68 3fec h TYR 597 Cb -0.02 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 37.59 3fec h TYR 597 CO -0.03 1.05 0.01 0.00 -1.05 0.00 0.00 178.16 178.14 3fec h ALA 598 N 0.88 0.03 -0.84 3.88 0.00 -0.96 -1.53 119.26 120.72 3fec h ALA 598 Ca -0.02 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.90 3fec h ALA 598 Cb 1.23 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 3fec h ALA 598 CO 0.12 -0.41 0.50 0.00 0.00 0.00 0.00 179.25 179.47 3fec h ALA 599 N 0.89 1.17 -0.39 0.00 0.00 -1.22 -1.64 119.26 118.07 3fec h ALA 599 Ca 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3fec h ALA 599 Cb 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3fec h ALA 599 CO -0.00 0.20 0.15 1.03 0.00 0.00 0.00 179.25 180.63 3fec h SER 600 N 0.89 0.54 0.27 0.00 0.87 -0.93 0.02 113.55 115.21 3fec h SER 600 Ca 0.38 -0.18 -0.13 0.00 -1.23 0.00 0.00 61.79 60.63 3fec h SER 600 Cb 0.25 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 3fec h SER 600 CO -0.20 0.57 -0.51 -0.29 -0.53 0.00 0.00 176.83 175.87 3fec h ILE 601 N 0.48 1.35 -0.35 2.23 6.09 -1.12 -1.92 117.51 124.26 3fec h ILE 601 Ca 0.13 -1.76 -0.07 0.00 -1.37 0.00 0.00 64.86 61.79 3fec h ILE 601 Cb 0.20 1.83 -0.01 0.00 0.47 0.00 0.00 36.82 39.32 3fec h ILE 601 CO -0.01 0.52 -0.05 0.22 -3.07 0.00 0.00 178.15 175.77 3fec h TYR 602 N 0.22 0.73 -0.94 2.19 3.20 -1.17 -2.73 116.97 118.47 3fec h TYR 602 Ca 0.01 -0.14 0.03 0.00 3.14 0.00 0.00 58.73 61.77 3fec h TYR 602 Cb 0.97 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 39.01 3fec h TYR 602 CO 0.02 0.79 0.61 -0.91 -1.64 0.00 0.00 178.16 177.03 3fec h ASN 603 N 0.45 1.02 0.06 -2.11 2.35 -0.70 -0.10 115.58 116.55 3fec h ASN 603 Ca 0.09 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3fec h ASN 603 Cb 0.53 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 3fec h ASN 603 CO 0.03 0.70 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.43 3fec h LEU 604 N 1.19 0.00 0.00 1.61 3.38 -1.06 -2.27 115.31 118.15 3fec h LEU 604 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3fec h LEU 604 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3fec h LEU 604 CO -0.12 0.01 -0.72 0.77 0.09 0.00 0.00 178.44 178.47 3fec h SER 605 N 0.00 0.00 -0.57 -0.43 4.64 -0.73 -3.37 113.55 113.08 3fec h SER 605 Ca -0.00 -0.13 0.05 0.00 -0.47 0.00 0.00 61.79 61.24 3fec h SER 605 Cb 0.04 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 3fec h SER 605 CO 0.00 0.06 0.38 0.11 -0.87 0.00 0.00 176.83 176.51 3fec h LYS 606 N 0.00 0.58 -0.01 4.77 1.57 -1.25 -0.96 116.57 121.27 3fec h LYS 606 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3fec h LYS 606 Cb 0.85 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 3fec h LYS 606 CO 0.00 0.38 0.01 1.57 -0.57 0.00 0.00 179.45 180.84 3fec h LYS 607 N 0.60 0.00 -0.44 3.15 2.10 -1.77 -1.56 116.57 118.64 3fec h LYS 607 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 3fec h LYS 607 Cb 0.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 3fec h LYS 607 CO -0.07 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.10 3fec n HIS 608 N -3.49 1.54 -0.33 0.07 8.25 -0.37 -4.78 115.22 116.11 3fec n HIS 608 Ca -0.03 -0.78 0.12 0.00 -0.26 0.00 0.00 57.72 56.78 3fec n HIS 608 Cb 0.09 -0.41 0.31 0.00 1.12 0.00 0.00 29.99 31.10 3fec n HIS 608 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 3fec h ASP 609 N 3.04 0.62 -0.74 0.41 3.58 -1.24 0.54 116.42 122.63 3fec h ASP 609 Ca 0.00 0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 3fec h ASP 609 Cb 1.70 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 42.74 3fec h ASP 609 CO 0.36 0.18 0.36 -0.61 -2.88 0.00 0.00 179.24 176.64 3fec h GLN 610 N 0.63 1.06 -0.40 0.28 5.75 -1.86 -2.04 115.11 118.53 3fec h GLN 610 Ca 0.56 -0.15 -0.11 0.00 -0.15 0.00 0.00 58.65 58.80 3fec h GLN 610 Cb 0.93 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 29.28 3fec h GLN 610 CO -0.42 0.83 -0.19 1.96 -2.65 0.00 0.00 178.83 178.35 3fec h GLN 611 N 1.03 0.76 -0.62 1.69 7.50 -1.32 0.63 115.11 124.79 3fec h GLN 611 Ca 0.25 -0.29 0.03 0.00 0.50 0.00 0.00 58.65 59.14 3fec h GLN 611 Cb 0.11 -0.04 -0.04 0.00 0.05 0.00 0.00 27.48 27.56 3fec h GLN 611 CO -0.03 0.90 0.38 -0.07 -1.50 0.00 0.00 178.83 178.50 3fec h LEU 612 N 0.67 0.61 -0.26 1.46 3.38 -0.96 0.11 115.31 120.32 3fec h LEU 612 Ca 0.10 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3fec h LEU 612 Cb 0.69 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3fec h LEU 612 CO 0.05 0.42 -0.17 0.74 0.09 0.00 0.00 178.44 179.57 3fec h THR 613 N 0.73 1.30 -0.11 0.22 2.02 -0.97 0.29 112.91 116.40 3fec h THR 613 Ca 0.25 -1.29 -0.08 0.00 0.77 0.00 0.00 66.41 66.06 3fec h THR 613 Cb 0.04 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 3fec h THR 613 CO -0.11 0.41 -0.30 0.44 0.37 0.00 0.00 175.52 176.32 3fec h ASP 614 N 0.31 0.20 -0.61 4.18 3.32 -0.48 -2.89 116.42 120.44 3fec h ASP 614 Ca 0.05 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3fec h ASP 614 Cb 0.70 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3fec h ASP 614 CO 0.05 0.50 0.00 1.41 -1.72 0.00 0.00 179.24 179.48 3fec n HIS 615 N -4.13 0.81 -3.69 4.55 8.25 0.36 -4.96 115.22 116.41 3fec n HIS 615 Ca -0.01 -0.41 -0.26 0.00 -0.26 0.00 0.00 57.72 56.79 3fec n HIS 615 Cb 0.39 -0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.56 3fec n HIS 615 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fec n GLY 616 N 1.61 -0.52 3.70 -1.41 0.00 -0.78 -4.95 105.19 102.84 3fec n GLY 616 Ca 0.23 0.23 -0.38 0.00 0.00 0.00 0.00 46.02 46.10 3fec n GLY 616 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fec s VAL 617 N -3.32 5.16 0.02 1.61 1.01 0.02 -5.05 120.40 119.85 3fec s VAL 617 Ca 0.58 0.95 0.03 0.00 0.00 0.00 0.00 61.98 63.54 3fec s VAL 617 Cb -0.27 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 3fec s VAL 617 CO 0.76 0.27 -0.09 -0.55 0.00 0.00 0.00 175.10 175.49 3fec s SER 618 N 0.84 1.04 0.00 3.32 0.15 -1.26 -4.64 113.70 113.15 3fec s SER 618 Ca 0.25 -0.31 0.20 0.00 0.70 0.00 0.00 55.95 56.79 3fec s SER 618 Cb -0.15 -0.06 0.53 0.00 -1.71 0.00 0.00 66.02 64.62 3fec s SER 618 CO 0.10 0.00 1.44 0.49 1.20 0.00 0.00 173.24 176.47 3fec n PHE 619 N 2.30 0.66 -0.23 3.44 3.72 -1.26 -4.57 117.46 121.52 3fec n PHE 619 Ca -0.17 -0.33 0.03 0.00 -0.05 0.00 0.00 57.45 56.93 3fec n PHE 619 Cb 0.56 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 39.25 3fec n PHE 619 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3fec h ASP 620 N 3.56 0.17 0.01 4.37 3.32 -2.00 -1.26 116.42 124.60 3fec h ASP 620 Ca 0.00 0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 3fec h ASP 620 Cb 0.80 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 3fec h ASP 620 CO 0.00 0.08 -0.21 0.77 -1.72 0.00 0.00 179.24 178.16 3fec h SER 621 N 0.37 0.35 -0.18 6.45 4.64 -1.96 -0.44 113.55 122.78 3fec h SER 621 Ca 0.36 -0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 61.54 3fec h SER 621 Cb 0.52 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3fec h SER 621 CO -0.38 0.58 -0.03 0.25 -0.87 0.00 0.00 176.83 176.38 3fec h LEU 622 N 0.33 0.34 -0.86 5.97 5.85 -1.54 -0.69 115.31 124.70 3fec h LEU 622 Ca 0.06 -0.35 -0.09 0.00 0.84 0.00 0.00 57.88 58.34 3fec h LEU 622 Cb 0.56 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3fec h LEU 622 CO 0.04 0.61 -0.14 -0.26 -0.34 0.00 0.00 178.44 178.34 3fec h PHE 623 N 0.07 0.76 -0.43 1.25 0.04 -1.05 -1.25 116.94 116.33 3fec h PHE 623 Ca 0.05 -0.14 -0.04 0.00 2.80 0.00 0.00 57.97 60.64 3fec h PHE 623 Cb 0.45 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 3fec h PHE 623 CO 0.05 0.79 0.10 1.03 -0.60 0.00 0.00 178.31 179.68 3fec h SER 624 N 0.62 0.65 -0.40 2.17 0.87 -0.94 -0.54 113.55 115.99 3fec h SER 624 Ca 0.10 -0.23 0.04 0.00 -1.23 0.00 0.00 61.79 60.47 3fec h SER 624 Cb 0.60 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 3fec h SER 624 CO 0.04 0.72 0.17 0.00 -0.53 0.00 0.00 176.83 177.22 3fec h ALA 625 N 0.96 0.48 -0.73 6.23 0.00 -0.89 -0.51 119.26 124.80 3fec h ALA 625 Ca 0.13 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.12 3fec h ALA 625 Cb 0.32 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3fec h ALA 625 CO 0.00 -0.21 0.44 0.28 0.00 0.00 0.00 179.25 179.76 3fec h VAL 626 N 0.35 1.04 -0.53 0.00 2.07 -1.01 0.17 116.25 118.33 3fec h VAL 626 Ca 0.18 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.43 3fec h VAL 626 Cb 0.13 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 3fec h VAL 626 CO -0.16 0.15 0.33 0.50 0.02 0.00 0.00 177.57 178.41 3fec h LYS 627 N 0.82 0.64 -0.39 1.57 3.64 -0.77 -0.77 116.57 121.32 3fec h LYS 627 Ca 0.31 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.54 3fec h LYS 627 Cb 0.11 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3fec h LYS 627 CO -0.15 0.43 -0.21 -0.91 -2.27 0.00 0.00 179.45 176.33 3fec h ASN 628 N 0.66 0.77 -0.46 4.20 2.35 -0.51 -1.84 115.58 120.75 3fec h ASN 628 Ca 0.21 -0.27 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 3fec h ASN 628 Cb -0.01 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 3fec h ASN 628 CO -0.08 0.97 0.18 0.15 -1.65 0.00 0.00 177.43 177.00 3fec h PHE 629 N 0.67 0.70 -0.71 1.19 3.57 -0.39 -0.69 116.94 121.27 3fec h PHE 629 Ca 0.09 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 3fec h PHE 629 Cb 0.72 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 3fec h PHE 629 CO 0.04 0.59 0.34 1.03 -2.23 0.00 0.00 178.31 178.08 3fec h SER 630 N 0.60 0.93 -0.39 0.41 0.87 -0.73 0.17 113.55 115.40 3fec h SER 630 Ca 0.15 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3fec h SER 630 Cb 0.19 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 3fec h SER 630 CO -0.01 0.80 0.25 -0.08 -0.53 0.00 0.00 176.83 177.25 3fec h GLU 631 N 0.99 0.52 -0.27 2.24 4.81 -1.22 -1.72 114.58 119.93 3fec h GLU 631 Ca 0.24 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 3fec h GLU 631 Cb 0.12 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3fec h GLU 631 CO -0.03 0.37 -0.24 0.00 -0.73 0.00 0.00 179.01 178.37 3fec h ALA 632 N 1.12 1.08 -0.22 2.92 0.00 -0.51 -1.05 119.26 122.60 3fec h ALA 632 Ca 0.14 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 3fec h ALA 632 Cb -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3fec h ALA 632 CO -0.03 0.57 -0.46 0.00 0.00 0.00 0.00 179.25 179.33 3fec h ALA 633 N 1.28 0.78 -0.13 0.00 0.00 -0.49 0.25 119.26 120.95 3fec h ALA 633 Ca 0.07 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3fec h ALA 633 Cb 0.67 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3fec h ALA 633 CO 0.05 0.66 0.01 1.03 0.00 0.00 0.00 179.25 181.00 3fec h SER 634 N 0.46 0.22 -0.74 0.00 0.87 -1.17 -1.80 113.55 111.40 3fec h SER 634 Ca 0.03 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 60.27 3fec h SER 634 Cb 0.98 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.85 3fec h SER 634 CO 0.09 0.45 0.33 -0.78 -0.53 0.00 0.00 176.83 176.39 3fec h ASP 635 N -0.02 0.99 -0.22 6.23 3.58 -1.13 -1.05 116.42 124.81 3fec h ASP 635 Ca 0.04 -0.15 0.02 0.00 0.42 0.00 0.00 57.03 57.36 3fec h ASP 635 Cb 0.33 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 3fec h ASP 635 CO 0.00 0.87 0.08 0.15 -2.88 0.00 0.00 179.24 177.46 3fec h PHE 636 N 1.05 0.15 -0.27 0.28 3.57 -0.81 -1.30 116.94 119.61 3fec h PHE 636 Ca 0.25 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.67 3fec h PHE 636 Cb 0.16 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 3fec h PHE 636 CO 0.01 0.07 -0.23 0.45 -2.23 0.00 0.00 178.31 176.39 3fec h HIS 637 N 0.19 0.57 -0.96 0.41 3.86 -0.94 0.22 115.15 118.50 3fec h HIS 637 Ca 0.10 -0.12 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3fec h HIS 637 Cb 0.06 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.34 3fec h HIS 637 CO -0.12 0.70 0.63 0.87 0.86 0.00 0.00 177.93 180.88 3fec h LYS 638 N 0.45 1.25 -0.11 2.45 1.57 -0.87 -2.45 116.57 118.87 3fec h LYS 638 Ca 0.07 -0.08 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 3fec h LYS 638 Cb 0.65 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3fec h LYS 638 CO 0.05 0.83 -0.74 0.00 -0.57 0.00 0.00 179.45 179.02 3fec h ARG 639 N 1.29 0.55 -0.68 3.15 3.08 -0.56 -3.30 114.38 117.91 3fec h ARG 639 Ca 0.35 -0.45 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3fec h ARG 639 Cb -0.13 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 3fec h ARG 639 CO -0.08 1.07 0.36 1.25 -1.07 0.00 0.00 179.97 181.50 3fec h LEU 640 N 0.38 0.85 -1.11 3.04 5.85 -0.14 -0.94 115.31 123.24 3fec h LEU 640 Ca -0.04 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3fec h LEU 640 Cb 1.33 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.14 3fec h LEU 640 CO 0.14 0.69 0.00 0.16 -0.34 0.00 0.00 178.44 179.09 3fec h ILE 641 N 0.96 0.00 -0.01 4.05 3.07 -1.53 -2.29 117.51 121.76 3fec h ILE 641 Ca 0.24 -0.22 0.00 0.00 1.55 0.00 0.00 64.86 66.43 3fec h ILE 641 Cb 0.04 0.96 0.00 0.00 -0.27 0.00 0.00 36.82 37.55 3fec h ILE 641 CO -0.04 0.00 -0.24 0.00 -1.05 0.00 0.00 178.15 176.82 3fec n GLN 642 N -2.44 1.15 -1.83 0.16 1.13 -0.37 -4.98 117.38 110.20 3fec n GLN 642 Ca 0.01 -0.77 -0.40 0.00 -1.94 0.00 0.00 57.00 53.90 3fec n GLN 642 Cb 0.19 -1.48 0.01 0.00 0.11 0.00 0.00 30.24 29.07 3fec n GLN 642 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3fec s VAL 643 N -2.38 2.14 -0.62 5.09 0.11 -0.86 -4.90 120.40 118.97 3fec s VAL 643 Ca 0.26 0.13 -0.28 0.00 -2.93 0.00 0.00 61.98 59.16 3fec s VAL 643 Cb 0.19 -3.08 0.03 0.00 -1.53 0.00 0.00 36.38 31.99 3fec s VAL 643 CO 0.49 0.02 1.24 -0.62 -3.33 0.00 0.00 175.10 172.90 3fec s ASP 644 N -0.46 6.34 0.42 3.54 2.15 -1.26 -4.86 116.67 122.55 3fec s ASP 644 Ca 0.59 -0.01 0.29 0.00 0.43 0.00 0.00 52.55 53.85 3fec s ASP 644 Cb -0.44 -2.55 1.44 0.00 -0.30 0.00 0.00 42.92 41.07 3fec s ASP 644 CO 0.57 -1.60 1.89 -0.07 -0.17 0.00 0.00 175.17 175.79 3fec h LEU 645 N 12.33 0.00 -1.82 -1.34 3.38 -1.99 -1.13 115.31 124.75 3fec h LEU 645 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3fec h LEU 645 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3fec h LEU 645 CO 1.21 0.00 0.00 0.59 0.09 0.00 0.00 178.44 180.33 3fec n ASN 646 N -2.57 2.68 -4.16 -0.43 3.02 -1.26 -4.73 115.26 107.80 3fec n ASN 646 Ca -0.01 -1.94 -0.37 0.00 -0.03 0.00 0.00 54.58 52.23 3fec n ASN 646 Cb 0.14 -0.28 -0.11 0.00 -0.61 0.00 0.00 39.78 38.92 3fec n ASN 646 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3fec s ASN 647 N -1.21 5.34 0.33 6.41 3.84 -0.43 -5.00 114.94 124.22 3fec s ASN 647 Ca 0.35 -1.89 0.01 0.00 0.21 0.00 0.00 52.86 51.54 3fec s ASN 647 Cb 0.19 -1.86 0.56 0.00 -0.55 0.00 0.00 41.25 39.58 3fec s ASN 647 CO 0.26 -0.54 1.95 -0.65 -2.79 0.00 0.00 177.10 175.32 3fec h PRO 648 N 8.15 0.81 -0.28 0.43 0.11 -1.85 -1.36 132.00 138.02 3fec h PRO 648 Ca -0.16 -0.09 -0.16 0.00 0.11 0.00 0.00 66.00 65.70 3fec h PRO 648 Cb 1.06 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 3fec h PRO 648 CO 0.72 0.61 -0.47 0.82 -0.21 0.00 0.00 178.00 179.47 3fec h ILE 649 N 0.82 1.29 -0.96 4.15 1.08 -1.94 0.44 117.51 122.38 3fec h ILE 649 Ca 0.21 -1.67 0.02 0.00 -0.39 0.00 0.00 64.86 63.03 3fec h ILE 649 Cb 0.05 1.58 -0.05 0.00 -3.07 0.00 0.00 36.82 35.33 3fec h ILE 649 CO -0.03 0.54 0.64 0.00 -0.69 0.00 0.00 178.15 178.60 3fec h ALA 650 N 0.88 1.25 -0.16 1.87 0.00 -1.68 -0.06 119.26 121.36 3fec h ALA 650 Ca 0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3fec h ALA 650 Cb 1.03 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3fec h ALA 650 CO 0.10 0.57 -0.07 0.28 0.00 0.00 0.00 179.25 180.13 3fec h VAL 651 N 1.27 1.31 -0.68 0.00 2.07 -1.11 -2.73 116.25 116.37 3fec h VAL 651 Ca 0.37 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 3fec h VAL 651 Cb -0.09 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3fec h VAL 651 CO -0.10 0.33 0.27 -0.09 0.02 0.00 0.00 177.57 178.00 3fec h ARG 652 N -0.00 1.00 -0.65 1.57 9.65 -0.62 0.67 114.38 126.00 3fec h ARG 652 Ca 0.04 -0.17 -0.07 0.00 -1.10 0.00 0.00 59.98 58.68 3fec h ARG 652 Cb 0.54 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.92 3fec h ARG 652 CO 0.02 0.81 0.14 0.52 2.80 0.00 0.00 179.97 184.27 3fec h MET 653 N 0.98 1.05 -0.17 0.20 2.86 -0.95 0.23 114.93 119.13 3fec h MET 653 Ca 0.23 -0.26 -0.16 0.00 -2.06 0.00 0.00 59.70 57.44 3fec h MET 653 Cb 0.19 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3fec h MET 653 CO -0.02 0.95 -0.58 0.52 1.06 0.00 0.00 176.91 178.84 3fec h MET 654 N 0.97 0.53 -0.61 1.72 2.86 -1.15 -2.31 114.93 116.93 3fec h MET 654 Ca 0.20 -0.35 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3fec h MET 654 Cb 0.38 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 3fec h MET 654 CO 0.01 0.96 0.28 -0.91 1.06 0.00 0.00 176.91 178.31 3fec h ASN 655 N 0.40 0.79 -0.79 1.22 2.35 -0.53 -1.05 115.58 117.97 3fec h ASN 655 Ca 0.00 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 3fec h ASN 655 Cb 1.12 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 39.26 3fec h ASN 655 CO 0.11 0.68 0.41 0.44 -1.65 0.00 0.00 177.43 177.41 3fec h ASP 656 N 0.87 1.02 -0.54 5.81 3.32 -0.30 0.12 116.42 126.71 3fec h ASP 656 Ca 0.21 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 3fec h ASP 656 Cb 0.11 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3fec h ASP 656 CO -0.03 0.84 0.04 1.56 -1.72 0.00 0.00 179.24 179.94 3fec h GLN 657 N 1.13 0.93 -0.62 3.56 4.20 -0.79 0.26 115.11 123.78 3fec h GLN 657 Ca 0.28 -0.28 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3fec h GLN 657 Cb 0.07 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 3fec h GLN 657 CO -0.04 0.93 0.22 -0.07 -0.67 0.00 0.00 178.83 179.20 3fec h LEU 658 N 0.82 0.88 -0.81 1.46 3.38 -0.74 -2.40 115.31 117.91 3fec h LEU 658 Ca 0.16 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3fec h LEU 658 Cb 0.48 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3fec h LEU 658 CO 0.02 0.84 -0.12 -0.03 0.09 0.00 0.00 178.44 179.24 3fec h MET 659 N 0.88 0.77 -0.01 1.13 4.05 -0.56 -3.24 114.93 117.96 3fec h MET 659 Ca 0.20 -0.26 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 3fec h MET 659 Cb 0.25 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.99 3fec h MET 659 CO -0.01 0.86 -0.17 1.28 0.23 0.00 0.00 176.91 179.10 3fec n LEU 660 N -4.16 1.54 -0.04 3.39 4.77 0.06 -4.23 117.00 118.33 3fec n LEU 660 Ca 0.01 -0.49 -0.11 0.00 -0.03 0.00 0.00 56.01 55.40 3fec n LEU 660 Cb 0.37 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.36 3fec n LEU 660 CO 0.43 0.27 0.89 0.25 -1.33 0.00 0.00 177.39 177.90 3fec h LEU 661 N 2.16 0.23 -1.59 2.23 7.12 -1.45 -2.12 115.31 121.88 3fec h LEU 661 Ca 0.00 -0.10 -0.02 0.00 0.13 0.00 0.00 57.88 57.88 3fec h LEU 661 Cb 0.59 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.65 3fec h LEU 661 CO 0.00 0.27 0.02 -0.08 -0.13 0.00 0.00 178.44 178.52 3fec h GLU 662 N 0.17 0.27 0.00 1.25 4.57 -1.79 -1.41 114.58 117.64 3fec h GLU 662 Ca 0.06 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 3fec h GLU 662 Cb 0.10 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 3fec h GLU 662 CO -0.01 0.29 -0.19 0.00 -1.18 0.00 0.00 179.01 177.92 3fec h ARG 663 N 0.27 0.00 0.00 1.92 2.47 -1.26 -2.68 114.38 115.10 3fec h ARG 663 Ca 0.07 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.77 3fec h ARG 663 Cb 0.16 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.48 3fec h ARG 663 CO 0.00 0.19 -0.08 0.00 0.56 0.00 0.00 179.97 180.64 3fec h ALA 664 N 1.81 1.21 -0.00 0.04 0.00 -0.95 -1.90 119.26 119.48 3fec h ALA 664 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3fec h ALA 664 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3fec h ALA 664 CO 0.02 0.10 -0.00 1.19 0.00 0.00 0.00 179.25 180.56 3fec n PHE 665 N -3.49 0.00 -3.23 0.00 3.72 -1.01 -4.70 117.46 108.75 3fec n PHE 665 Ca -0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.99 3fec n PHE 665 Cb 0.22 -0.02 -0.07 0.00 -0.94 0.00 0.00 39.48 38.67 3fec n PHE 665 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3fec s ILE 666 N -2.04 5.10 -0.28 4.37 -1.09 -0.72 -0.84 121.20 125.71 3fec s ILE 666 Ca 0.45 0.97 -0.08 0.00 -2.23 0.00 0.00 60.65 59.76 3fec s ILE 666 Cb 0.22 -3.85 -0.01 0.00 -1.58 0.00 0.00 42.46 37.24 3fec s ILE 666 CO 0.37 0.16 0.09 -0.62 -1.23 0.00 0.00 174.94 173.72 3fec s ASP 667 N 1.19 5.22 0.39 3.58 -1.08 0.09 -4.98 116.67 121.08 3fec s ASP 667 Ca 0.24 -0.42 0.27 0.00 -0.52 0.00 0.00 52.55 52.13 3fec s ASP 667 Cb -0.15 -1.93 1.35 0.00 -1.46 0.00 0.00 42.92 40.72 3fec s ASP 667 CO 0.10 -0.12 1.83 1.55 0.52 0.00 0.00 175.17 179.05 3fec h PRO 668 N 8.26 0.00 0.00 4.34 0.13 -1.97 -0.61 132.00 142.15 3fec h PRO 668 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3fec h PRO 668 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3fec h PRO 668 CO 0.59 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 178.29 3fec h LEU 669 N 0.00 0.00 0.00 1.56 3.38 -1.93 -3.50 115.31 114.82 3fec h LEU 669 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fec h LEU 669 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3fec h LEU 669 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3fec n GLY 670 N 0.94 -1.55 3.85 0.83 0.00 -0.24 -4.82 105.19 104.21 3fec n GLY 670 Ca 0.05 -1.27 -0.22 0.00 0.00 0.00 0.00 46.02 44.58 3fec n GLY 670 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fec s LEU 671 N 0.00 3.84 -0.23 0.99 1.43 -0.84 -4.95 118.68 118.92 3fec s LEU 671 Ca 0.00 -0.25 -0.39 0.00 -1.03 0.00 0.00 54.13 52.46 3fec s LEU 671 Cb 0.00 -2.39 -0.15 0.00 0.03 0.00 0.00 46.19 43.68 3fec s LEU 671 CO 0.00 -0.10 1.77 -2.65 0.23 0.00 0.00 176.35 175.60 3fec n PRO 672 N -1.24 1.41 -0.93 1.29 -0.02 -1.26 -0.20 135.00 134.03 3fec n PRO 672 Ca -0.07 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3fec n PRO 672 Cb 0.58 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3fec n PRO 672 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fec n GLY 673 N 4.22 0.50 2.42 -1.23 0.00 -1.26 -4.93 105.19 104.91 3fec n GLY 673 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 3fec n GLY 673 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fec s LYS 674 N -0.47 0.80 0.61 1.61 1.02 0.72 -4.98 119.74 119.04 3fec s LYS 674 Ca 0.00 -1.86 0.33 0.00 0.02 0.00 0.00 55.97 54.46 3fec s LYS 674 Cb 0.00 -1.40 1.94 0.00 -0.52 0.00 0.00 37.83 37.85 3fec s LYS 674 CO 0.00 -1.33 2.27 -0.07 -0.92 0.00 0.00 175.35 175.30 3fec h LEU 675 N 6.10 0.00 -1.67 3.17 3.38 -1.88 -2.34 115.31 122.07 3fec h LEU 675 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3fec h LEU 675 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3fec h LEU 675 CO 0.34 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.36 3fec n PHE 676 N -3.69 0.04 -3.47 1.13 3.72 -1.26 -4.49 117.46 109.44 3fec n PHE 676 Ca -0.03 -0.03 -0.43 0.00 -0.05 0.00 0.00 57.45 56.92 3fec n PHE 676 Cb 0.10 -0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.54 3fec n PHE 676 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3fec s TYR 677 N -1.27 3.24 -0.18 1.38 2.02 -1.07 -4.18 117.35 117.30 3fec s TYR 677 Ca 0.19 -0.72 0.04 0.00 -0.37 0.00 0.00 57.07 56.21 3fec s TYR 677 Cb 0.13 -2.69 -0.05 0.00 -0.40 0.00 0.00 41.96 38.95 3fec s TYR 677 CO 0.19 -0.64 0.17 0.54 -1.57 0.00 0.00 175.55 174.24 3fec n ARG 678 N 5.14 4.98 -2.72 -0.62 1.74 -0.23 -2.00 116.66 122.95 3fec n ARG 678 Ca -0.11 -0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.53 3fec n ARG 678 Cb 0.46 -0.75 -0.03 0.00 -1.02 0.00 0.00 32.46 31.13 3fec n ARG 678 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3fec s HIS 679 N -1.50 3.04 -0.00 -1.55 2.46 -0.98 -0.73 115.29 116.03 3fec s HIS 679 Ca 0.01 0.87 0.32 0.00 0.47 0.00 0.00 55.06 56.73 3fec s HIS 679 Cb 0.03 -3.83 1.32 0.00 -0.13 0.00 0.00 32.58 29.97 3fec s HIS 679 CO 0.18 -0.90 1.94 0.82 -2.47 0.00 0.00 174.74 174.30 3fec h ILE 680 N 5.88 0.00 0.11 0.89 1.08 -1.37 -3.13 117.51 120.97 3fec h ILE 680 Ca -0.22 -0.44 -0.33 0.00 -0.39 0.00 0.00 64.86 63.47 3fec h ILE 680 Cb 1.07 1.39 -0.02 0.00 -3.07 0.00 0.00 36.82 36.19 3fec h ILE 680 CO 1.03 0.00 -1.79 0.40 -0.69 0.00 0.00 178.15 177.10 3fec h ILE 681 N 0.00 0.84 -4.23 -0.67 1.08 -1.91 -3.36 117.51 109.26 3fec h ILE 681 Ca 0.00 -2.55 -0.53 0.00 -0.39 0.00 0.00 64.86 61.40 3fec h ILE 681 Cb 0.47 2.59 -0.29 0.00 -3.07 0.00 0.00 36.82 36.51 3fec h ILE 681 CO 0.00 0.79 -0.83 -0.36 -0.69 0.00 0.00 178.15 177.07 3fec s PHE 682 N -2.58 1.47 0.07 1.37 0.40 -1.18 -0.89 117.98 116.63 3fec s PHE 682 Ca -0.15 -0.29 -0.03 0.00 -0.60 0.00 0.00 56.93 55.85 3fec s PHE 682 Cb 0.07 -0.95 -0.03 0.00 0.51 0.00 0.00 43.02 42.62 3fec s PHE 682 CO 0.81 -0.04 0.05 0.00 0.70 0.00 0.00 175.22 176.74 3fec s ALA 683 N -0.33 0.30 0.05 5.36 0.00 -0.74 -4.28 121.76 122.12 3fec s ALA 683 Ca 0.05 -1.04 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 3fec s ALA 683 Cb -0.07 0.39 -0.09 0.00 0.00 0.00 0.00 23.12 23.35 3fec s ALA 683 CO -0.00 -0.43 1.90 -2.14 0.00 0.00 0.00 175.76 175.09 3fec s PRO 684 N -3.91 4.15 -0.12 0.00 0.02 -1.26 -0.66 135.00 133.22 3fec s PRO 684 Ca 0.08 2.56 -0.12 0.00 0.02 0.00 0.00 61.00 63.54 3fec s PRO 684 Cb 0.07 -3.99 -0.05 0.00 0.02 0.00 0.00 34.50 30.54 3fec s PRO 684 CO -0.09 -0.91 0.39 0.45 -0.33 0.00 0.00 177.00 176.51 3fec n SER 685 N 7.00 0.28 0.06 2.53 2.88 -0.81 -4.82 113.62 120.75 3fec n SER 685 Ca 0.19 0.30 0.04 0.00 -1.33 0.00 0.00 58.87 58.07 3fec n SER 685 Cb 0.41 -0.22 0.23 0.00 -0.75 0.00 0.00 64.21 63.87 3fec n SER 685 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3fec n SER 686 N 0.96 0.22 -0.00 -3.46 7.64 -1.26 -2.17 113.62 115.54 3fec n SER 686 Ca 0.08 0.60 0.05 0.00 1.01 0.00 0.00 58.87 60.60 3fec n SER 686 Cb -0.01 -0.63 -0.06 0.00 -1.01 0.00 0.00 64.21 62.51 3fec n SER 686 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3fec n HIS 687 N -1.79 0.00 -3.05 1.43 8.25 -1.26 -4.89 115.22 113.91 3fec n HIS 687 Ca -0.01 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.49 3fec n HIS 687 Cb 0.02 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3fec n HIS 687 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3fec s ASN 688 N -2.00 -0.75 0.58 0.41 2.47 -0.92 -4.40 114.94 110.33 3fec s ASN 688 Ca 0.03 -0.11 0.28 0.00 0.42 0.00 0.00 52.86 53.48 3fec s ASN 688 Cb 0.07 1.24 1.63 0.00 -1.45 0.00 0.00 41.25 42.75 3fec s ASN 688 CO 0.40 -0.11 2.10 0.50 -3.72 0.00 0.00 177.10 176.27 3fec h LYS 689 N 6.80 0.00 -0.01 0.43 3.64 -1.89 -0.93 116.57 124.61 3fec h LYS 689 Ca -0.04 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 3fec h LYS 689 Cb 1.20 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 3fec h LYS 689 CO -0.02 0.00 -0.28 1.88 -2.27 0.00 0.00 179.45 178.76 3fec h TYR 690 N 0.00 0.02 -3.31 1.91 0.05 -1.88 -3.14 116.97 110.62 3fec h TYR 690 Ca 0.09 -0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.30 3fec h TYR 690 Cb 0.48 -0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.17 3fec h TYR 690 CO 0.00 0.30 -0.02 0.00 -1.05 0.00 0.00 178.16 177.39 3fec s ALA 691 N -4.40 3.56 0.11 3.88 0.00 -0.35 -3.57 121.76 120.99 3fec s ALA 691 Ca -0.03 0.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.83 3fec s ALA 691 Cb 0.15 -2.64 -0.06 0.00 0.00 0.00 0.00 23.12 20.56 3fec s ALA 691 CO 0.72 0.40 0.47 0.20 0.00 0.00 0.00 175.76 177.55 3fec s GLY 692 N -1.32 2.39 -0.06 0.00 0.00 -1.26 -1.92 107.32 105.16 3fec s GLY 692 Ca 0.33 -0.26 0.05 0.00 0.00 0.00 0.00 44.72 44.84 3fec s GLY 692 CO 0.20 -0.02 -0.22 1.85 0.00 0.00 0.00 173.10 174.91 3fec s GLU 693 N -1.96 2.33 0.22 2.90 2.56 0.17 -4.77 118.70 120.15 3fec s GLU 693 Ca 0.36 -0.80 -0.10 0.00 0.00 0.00 0.00 54.97 54.43 3fec s GLU 693 Cb -0.14 -1.96 -0.07 0.00 2.00 0.00 0.00 34.13 33.95 3fec s GLU 693 CO 0.19 0.31 0.55 -1.54 -0.56 0.00 0.00 175.26 174.21 3fec s SER 694 N -0.03 6.66 -1.31 -1.70 1.04 -1.26 -1.80 113.70 115.30 3fec s SER 694 Ca -0.05 0.95 -0.24 0.00 0.48 0.00 0.00 55.95 57.09 3fec s SER 694 Cb -0.13 -2.24 0.03 0.00 0.10 0.00 0.00 66.02 63.78 3fec s SER 694 CO 0.04 -0.04 0.50 0.49 0.98 0.00 0.00 173.24 175.20 3fec n PHE 695 N 0.02 -1.39 0.05 5.02 3.72 -0.07 -4.65 117.46 120.17 3fec n PHE 695 Ca -0.00 0.25 0.09 0.00 -0.05 0.00 0.00 57.45 57.73 3fec n PHE 695 Cb 0.52 -2.86 0.53 0.00 -0.94 0.00 0.00 39.48 36.74 3fec n PHE 695 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3fec h PRO 696 N -2.36 0.29 -0.66 -1.08 0.13 -1.73 0.75 132.00 127.34 3fec h PRO 696 Ca -0.70 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.34 3fec h PRO 696 Cb 1.40 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.44 3fec h PRO 696 CO 0.57 0.19 0.10 0.78 -0.23 0.00 0.00 178.00 179.41 3fec h GLY 697 N 0.30 1.17 0.60 1.56 0.00 -1.89 0.13 103.07 104.95 3fec h GLY 697 Ca 0.15 -0.78 -0.07 0.00 0.00 0.00 0.00 47.33 46.63 3fec h GLY 697 CO -0.03 0.72 -0.25 -2.22 0.00 0.00 0.00 176.54 174.75 3fec h ILE 698 N 1.02 1.45 -0.39 2.60 2.04 -1.42 -2.73 117.51 120.07 3fec h ILE 698 Ca 0.20 -1.71 0.02 0.00 1.00 0.00 0.00 64.86 64.37 3fec h ILE 698 Cb 0.44 2.42 -0.03 0.00 -0.74 0.00 0.00 36.82 38.91 3fec h ILE 698 CO 0.01 0.48 0.22 0.22 0.00 0.00 0.00 178.15 179.09 3fec h TYR 699 N -0.28 0.42 -0.38 1.37 3.20 -0.76 -1.29 116.97 119.25 3fec h TYR 699 Ca -0.02 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 3fec h TYR 699 Cb 0.92 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 3fec h TYR 699 CO 0.14 0.24 -0.06 -0.44 -1.64 0.00 0.00 178.16 176.40 3fec h ASP 700 N 0.45 0.60 -0.41 -2.11 3.32 -1.05 -0.34 116.42 116.89 3fec h ASP 700 Ca 0.16 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 3fec h ASP 700 Cb 0.02 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3fec h ASP 700 CO -0.08 0.71 -0.07 0.00 -1.72 0.00 0.00 179.24 178.08 3fec h ALA 701 N 1.35 0.97 0.00 3.45 0.00 -1.07 -3.20 119.26 120.77 3fec h ALA 701 Ca 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3fec h ALA 701 Cb 0.46 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3fec h ALA 701 CO 0.02 0.61 -0.78 0.97 0.00 0.00 0.00 179.25 180.08 3fec h ILE 702 N 0.77 0.00 -2.28 0.00 2.10 -0.92 -3.44 117.51 113.74 3fec h ILE 702 Ca 0.13 -0.92 -0.58 0.00 1.08 0.00 0.00 64.86 64.58 3fec h ILE 702 Cb 0.57 1.52 0.05 0.00 -1.09 0.00 0.00 36.82 37.86 3fec h ILE 702 CO 0.03 0.00 0.93 0.33 -1.08 0.00 0.00 178.15 178.37 3fec n PHE 703 N -2.66 2.38 -2.29 2.19 7.35 -0.17 -2.30 117.46 121.96 3fec n PHE 703 Ca 0.01 0.12 -0.16 0.00 -0.76 0.00 0.00 57.45 56.66 3fec n PHE 703 Cb 0.53 -2.61 -0.02 0.00 0.35 0.00 0.00 39.48 37.73 3fec n PHE 703 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 3fec n ASP 704 N 4.58 -4.74 0.21 -2.13 2.03 -1.26 -4.85 116.55 110.38 3fec n ASP 704 Ca 0.18 0.14 0.05 0.00 0.52 0.00 0.00 54.79 55.68 3fec n ASP 704 Cb 0.31 -4.03 0.45 0.00 -0.72 0.00 0.00 41.12 37.13 3fec n ASP 704 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 3fec h ILE 705 N 0.00 1.14 0.00 5.18 2.10 -1.76 -1.57 117.51 122.60 3fec h ILE 705 Ca -0.38 -0.96 0.00 0.00 1.08 0.00 0.00 64.86 64.60 3fec h ILE 705 Cb 1.25 1.53 0.00 0.00 -1.09 0.00 0.00 36.82 38.51 3fec h ILE 705 CO 0.46 0.27 0.00 1.05 -1.08 0.00 0.00 178.15 178.85 3fec h GLU 706 N 0.00 0.00 -0.28 2.19 9.09 -1.88 -1.83 114.58 121.87 3fec h GLU 706 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3fec h GLU 706 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.60 3fec h GLU 706 CO 0.04 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.19 3fec n ASN 707 N -2.86 3.19 -4.75 3.06 3.02 -0.59 -4.96 115.26 111.37 3fec n ASN 707 Ca -0.01 -1.94 -0.41 0.00 -0.03 0.00 0.00 54.58 52.19 3fec n ASN 707 Cb 0.14 -0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 3fec n ASN 707 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3fec s LYS 708 N -1.49 4.38 0.19 3.52 -0.14 -0.69 -4.93 119.74 120.59 3fec s LYS 708 Ca 0.33 2.13 -0.12 0.00 -1.36 0.00 0.00 55.97 56.95 3fec s LYS 708 Cb 0.20 -3.13 0.13 0.00 -1.68 0.00 0.00 37.83 33.34 3fec s LYS 708 CO 0.28 -0.20 1.83 0.00 -0.76 0.00 0.00 175.35 176.50 3fec h ALA 709 N 4.37 0.76 -3.03 5.17 0.00 -1.93 -3.37 119.26 121.23 3fec h ALA 709 Ca -0.47 -0.02 -0.70 0.00 0.00 0.00 0.00 54.91 53.72 3fec h ALA 709 Cb 1.22 -0.20 -0.33 0.00 0.00 0.00 0.00 17.79 18.48 3fec h ALA 709 CO 0.72 0.12 -0.52 1.21 0.00 0.00 0.00 179.25 180.78 3fec s ASN 710 N -5.68 5.35 0.17 0.00 3.04 -1.26 -4.98 114.94 111.58 3fec s ASN 710 Ca -0.13 -2.00 -0.10 0.00 0.04 0.00 0.00 52.86 50.67 3fec s ASN 710 Cb 0.14 -1.87 0.05 0.00 -1.54 0.00 0.00 41.25 38.03 3fec s ASN 710 CO 0.75 -0.57 1.64 0.77 -3.04 0.00 0.00 177.10 176.65 3fec h SER 711 N 8.14 0.98 -0.48 -4.21 4.64 -1.93 -1.35 113.55 119.34 3fec h SER 711 Ca -0.15 -0.30 0.03 0.00 -0.47 0.00 0.00 61.79 60.91 3fec h SER 711 Cb 1.05 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.84 3fec h SER 711 CO 0.73 1.04 0.26 -0.09 -0.87 0.00 0.00 176.83 177.90 3fec h ARG 712 N 0.90 0.51 -0.44 4.77 9.65 -1.97 -0.33 114.38 127.47 3fec h ARG 712 Ca 0.17 -0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 58.96 3fec h ARG 712 Cb 0.52 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.97 3fec h ARG 712 CO 0.03 0.33 0.04 -0.07 2.80 0.00 0.00 179.97 183.09 3fec h LEU 713 N 0.52 0.72 -0.31 3.80 3.38 -1.97 -2.72 115.31 118.73 3fec h LEU 713 Ca 0.20 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3fec h LEU 713 Cb 0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3fec h LEU 713 CO -0.12 0.83 0.15 0.00 0.09 0.00 0.00 178.44 179.39 3fec h ALA 714 N 0.92 0.40 -0.20 1.53 0.00 -0.64 -2.42 119.26 118.86 3fec h ALA 714 Ca 0.13 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3fec h ALA 714 Cb 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3fec h ALA 714 CO 0.02 -0.05 -0.16 -1.49 0.00 0.00 0.00 179.25 177.57 3fec h TRP 715 N 0.37 0.35 -0.40 0.00 4.06 -1.09 -2.40 115.95 116.83 3fec h TRP 715 Ca 0.11 -0.05 -0.05 0.00 2.06 0.00 0.00 58.89 60.96 3fec h TRP 715 Cb 0.11 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 28.15 3fec h TRP 715 CO -0.02 0.48 0.04 0.87 -3.56 0.00 0.00 178.44 176.25 3fec h LYS 716 N 0.31 0.62 -0.72 0.49 1.57 -1.16 -0.99 116.57 116.69 3fec h LYS 716 Ca 0.06 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 3fec h LYS 716 Cb 0.47 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3fec h LYS 716 CO 0.03 0.62 0.23 0.93 -0.57 0.00 0.00 179.45 180.68 3fec h GLU 717 N 0.60 1.11 -0.42 3.15 4.39 -0.96 0.25 114.58 122.70 3fec h GLU 717 Ca 0.13 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.61 3fec h GLU 717 Cb 0.32 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 3fec h GLU 717 CO 0.01 0.94 0.28 0.28 -1.16 0.00 0.00 179.01 179.35 3fec h VAL 718 N 1.06 1.10 -0.84 3.13 2.07 -1.12 -1.99 116.25 119.67 3fec h VAL 718 Ca 0.23 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.59 3fec h VAL 718 Cb 0.29 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 3fec h VAL 718 CO -0.01 0.10 0.54 0.11 0.02 0.00 0.00 177.57 178.34 3fec h LYS 719 N 0.56 1.04 -0.05 1.57 1.57 -0.80 -0.75 116.57 119.72 3fec h LYS 719 Ca 0.16 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3fec h LYS 719 Cb -0.05 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 31.99 3fec h LYS 719 CO -0.04 0.69 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.21 3fec h LYS 720 N 1.07 -0.15 -0.04 3.15 3.64 -0.56 -1.69 116.57 121.99 3fec h LYS 720 Ca 0.32 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.58 3fec h LYS 720 Cb -0.04 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3fec h LYS 720 CO -0.10 -0.10 -0.58 0.45 -2.27 0.00 0.00 179.45 176.85 3fec h HIS 721 N -0.15 0.17 -0.41 1.91 3.86 -0.80 -1.28 115.15 118.44 3fec h HIS 721 Ca 0.06 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3fec h HIS 721 Cb 0.23 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 3fec h HIS 721 CO -0.19 0.68 0.26 0.82 0.86 0.00 0.00 177.93 180.36 3fec h ILE 722 N 0.10 1.12 -0.49 2.45 2.04 -1.01 -1.42 117.51 120.30 3fec h ILE 722 Ca -0.00 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 3fec h ILE 722 Cb 1.06 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 3fec h ILE 722 CO 0.08 0.12 0.24 -1.28 0.00 0.00 0.00 178.15 177.31 3fec h SER 723 N 0.54 0.64 -0.46 1.72 0.87 -0.95 -0.61 113.55 115.30 3fec h SER 723 Ca 0.15 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3fec h SER 723 Cb -0.03 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 3fec h SER 723 CO -0.03 0.58 0.28 0.40 -0.53 0.00 0.00 176.83 177.54 3fec h ILE 724 N 0.64 1.14 -0.66 2.23 2.04 -1.18 -1.00 117.51 120.73 3fec h ILE 724 Ca 0.17 -0.31 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 3fec h ILE 724 Cb 0.11 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 3fec h ILE 724 CO -0.02 0.14 0.16 0.00 0.00 0.00 0.00 178.15 178.43 3fec h ALA 725 N 1.14 0.87 -0.06 1.87 0.00 -0.79 0.25 119.26 122.54 3fec h ALA 725 Ca 0.17 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3fec h ALA 725 Cb -0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3fec h ALA 725 CO -0.03 0.60 0.04 0.00 0.00 0.00 0.00 179.25 179.85 3fec h ALA 726 N 1.06 0.08 -0.38 0.00 0.00 -1.00 -1.35 119.26 117.68 3fec h ALA 726 Ca 0.21 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3fec h ALA 726 Cb 0.37 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3fec h ALA 726 CO 0.00 -0.42 0.18 0.35 0.00 0.00 0.00 179.25 179.36 3fec h PHE 727 N 0.07 0.33 -0.65 0.00 3.57 -1.02 -1.07 116.94 118.17 3fec h PHE 727 Ca 0.02 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 3fec h PHE 727 Cb 0.01 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 3fec h PHE 727 CO -0.07 0.17 0.19 1.15 -2.23 0.00 0.00 178.31 177.52 3fec h THR 728 N 0.37 1.25 -0.37 4.41 2.02 -0.59 0.24 112.91 120.24 3fec h THR 728 Ca 0.16 -0.88 -0.12 0.00 0.77 0.00 0.00 66.41 66.35 3fec h THR 728 Cb 0.08 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3fec h THR 728 CO -0.12 0.34 -0.25 0.40 0.37 0.00 0.00 175.52 176.25 3fec h ILE 729 N 0.94 1.27 -0.65 3.11 2.04 -1.10 -0.52 117.51 122.59 3fec h ILE 729 Ca 0.21 -1.37 -0.07 0.00 1.00 0.00 0.00 64.86 64.63 3fec h ILE 729 Cb 0.31 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 3fec h ILE 729 CO -0.00 0.45 0.13 -0.61 0.00 0.00 0.00 178.15 178.12 3fec h GLN 730 N 0.64 1.06 -0.62 2.37 5.75 -0.68 -0.15 115.11 123.49 3fec h GLN 730 Ca 0.08 -0.27 -0.03 0.00 -0.15 0.00 0.00 58.65 58.28 3fec h GLN 730 Cb 0.76 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.15 3fec h GLN 730 CO 0.06 0.97 0.26 0.00 -2.65 0.00 0.00 178.83 177.47 3fec h ALA 731 N 1.05 0.81 -0.57 3.38 0.00 -0.30 -0.38 119.26 123.25 3fec h ALA 731 Ca 0.20 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3fec h ALA 731 Cb 0.40 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3fec h ALA 731 CO 0.01 0.41 0.36 0.00 0.00 0.00 0.00 179.25 180.02 3fec h ALA 732 N 1.11 0.73 -0.88 0.00 0.00 -0.79 -1.73 119.26 117.69 3fec h ALA 732 Ca 0.21 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.18 3fec h ALA 732 Cb 0.18 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 3fec h ALA 732 CO -0.02 0.10 0.53 0.00 0.00 0.00 0.00 179.25 179.86 3fec h ALA 733 N 1.23 1.25 0.00 0.00 0.00 -0.61 -1.61 119.26 119.52 3fec h ALA 733 Ca 0.22 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3fec h ALA 733 Cb -0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3fec h ALA 733 CO -0.08 0.22 -0.02 0.78 0.00 0.00 0.00 179.25 180.15 3fec h GLY 734 N 0.92 0.00 2.00 0.00 0.00 -0.19 -1.62 103.07 104.18 3fec h GLY 734 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 3fec h GLY 734 CO -0.22 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 175.41 3fec h THR 735 N 0.00 0.00 0.00 4.70 1.35 -0.79 -2.95 112.91 115.22 3fec h THR 735 Ca -0.00 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 3fec h THR 735 Cb 0.04 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 3fec h THR 735 CO 0.00 0.00 -0.87 -0.07 -0.25 0.00 0.00 175.52 174.33 3fec h LEU 736 N 0.00 0.00-10.08 3.87 3.38 -1.35 -3.47 115.31 107.66 3fec h LEU 736 Ca 0.00 -0.07 -0.52 0.00 0.09 0.00 0.00 57.88 57.38 3fec h LEU 736 Cb 0.49 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.35 3fec h LEU 736 CO 0.00 0.03 0.48 -0.54 0.09 0.00 0.00 178.44 178.50 3fec s LYS 737 N -3.31 3.14 0.10 1.13 1.02 -1.12 -4.76 119.74 115.95 3fec s LYS 737 Ca 0.02 1.82 -0.06 0.00 0.02 0.00 0.00 55.97 57.77 3fec s LYS 737 Cb 0.10 -2.02 -0.19 0.00 -0.52 0.00 0.00 37.83 35.20 3fec s LYS 737 CO 0.77 -1.07 1.22 1.49 -0.92 0.00 0.00 175.35 176.83 3fec h GLU 738 N 1.12 0.40 0.00 1.68 4.81 -1.92 -3.51 114.58 117.15 3fec h GLU 738 Ca -0.50 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.21 3fec h GLU 738 Cb 1.29 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.83 3fec h GLU 738 CO 0.56 1.19 0.00 0.28 -0.73 0.00 0.00 179.01 180.31