#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fyi h PHE 21 N 0.00 0.00 0.00 -5.99 0.04 -2.04 -2.66 116.94 106.30 3fyi h PHE 21 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3fyi h PHE 21 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3fyi h PHE 21 CO 0.00 0.00 -1.09 -1.33 -0.60 0.00 0.00 178.31 175.29 3fyi n MET 22 N -2.69 0.44 -2.09 1.51 2.81 -1.26 -4.96 117.12 110.89 3fyi n MET 22 Ca 0.01 0.03 -0.41 0.00 -1.81 0.00 0.00 57.70 55.51 3fyi n MET 22 Cb 0.28 -1.67 -0.03 0.00 -0.71 0.00 0.00 33.22 31.09 3fyi n MET 22 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3fyi s SER 23 N -4.50 6.74 0.00 7.83 0.15 -1.00 -4.92 113.70 118.00 3fyi s SER 23 Ca 0.01 2.54 0.20 0.00 0.70 0.00 0.00 55.95 59.40 3fyi s SER 23 Cb 0.13 -2.61 0.42 0.00 -1.71 0.00 0.00 66.02 62.25 3fyi s SER 23 CO 0.80 -0.65 1.36 0.35 1.20 0.00 0.00 173.24 176.29 3fyi n THR 24 N 2.78 0.65 -2.60 6.45 -2.24 -1.26 -4.68 114.28 113.39 3fyi n THR 24 Ca 0.08 -0.83 -0.42 0.00 -2.27 0.00 0.00 64.05 60.61 3fyi n THR 24 Cb 0.41 0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 69.44 3fyi n THR 24 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3fyi s ASN 25 N -1.25 7.23 0.52 3.42 3.84 -1.26 -4.69 114.94 122.74 3fyi s ASN 25 Ca 0.36 1.75 0.30 0.00 0.21 0.00 0.00 52.86 55.49 3fyi s ASN 25 Cb 0.20 -2.57 1.43 0.00 -0.55 0.00 0.00 41.25 39.77 3fyi s ASN 25 CO 0.28 -0.39 1.86 1.12 -2.79 0.00 0.00 177.10 177.18 3fyi h HIS 26 N 6.94 0.10 -0.13 0.43 2.07 -1.92 -0.93 115.15 121.72 3fyi h HIS 26 Ca -0.39 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.04 3fyi h HIS 26 Cb 1.20 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 31.15 3fyi h HIS 26 CO 0.69 0.02 -0.31 0.87 -3.07 0.00 0.00 177.93 176.13 3fyi h LYS 27 N 0.07 0.44 -0.44 5.12 1.57 -1.86 -1.58 116.57 119.89 3fyi h LYS 27 Ca 0.47 -0.30 -0.14 0.00 -1.87 0.00 0.00 60.65 58.81 3fyi h LYS 27 Cb 1.75 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 34.09 3fyi h LYS 27 CO -0.04 0.91 -0.28 -0.44 -0.57 0.00 0.00 179.45 179.02 3fyi h ASP 28 N 0.04 1.00 -0.14 0.86 3.32 -1.60 -2.08 116.42 117.82 3fyi h ASP 28 Ca -0.00 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.63 3fyi h ASP 28 Cb 0.91 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 3fyi h ASP 28 CO 0.07 1.21 0.06 0.40 -1.72 0.00 0.00 179.24 179.26 3fyi h ILE 29 N 0.81 1.14 -0.82 0.35 2.04 -1.33 -1.31 117.51 118.40 3fyi h ILE 29 Ca 0.09 -0.40 0.13 0.00 1.00 0.00 0.00 64.86 65.68 3fyi h ILE 29 Cb 0.87 1.14 -0.09 0.00 -0.74 0.00 0.00 36.82 38.00 3fyi h ILE 29 CO 0.08 0.12 0.41 1.23 0.00 0.00 0.00 178.15 180.00 3fyi h GLY 30 N 0.09 1.30 1.57 5.37 0.00 -1.25 -1.46 103.07 108.69 3fyi h GLY 30 Ca 0.05 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 3fyi h GLY 30 CO -0.01 -0.01 -0.29 -2.08 0.00 0.00 0.00 176.54 174.16 3fyi h VAL 31 N 0.62 1.27 0.29 4.60 2.07 -1.15 -1.83 116.25 122.12 3fyi h VAL 31 Ca 0.43 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 3fyi h VAL 31 Cb 0.58 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3fyi h VAL 31 CO -0.34 0.42 -0.14 -0.07 0.02 0.00 0.00 177.57 177.47 3fyi h LEU 32 N 0.43 -0.33 -0.78 2.57 3.38 -0.44 -1.92 115.31 118.22 3fyi h LEU 32 Ca 0.06 -0.13 0.16 0.00 0.09 0.00 0.00 57.88 58.06 3fyi h LEU 32 Cb 0.72 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.45 3fyi h LEU 32 CO 0.06 -0.05 0.29 1.88 0.09 0.00 0.00 178.44 180.70 3fyi h TYR 33 N -0.61 0.49 -0.17 1.13 -1.99 -1.29 -0.73 116.97 113.81 3fyi h TYR 33 Ca -0.04 0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 3fyi h TYR 33 Cb 0.44 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.06 3fyi h TYR 33 CO -0.00 0.01 0.04 -0.07 -0.00 0.00 0.00 178.16 178.14 3fyi h LEU 34 N 0.40 0.26 -0.52 3.88 3.38 -1.23 0.74 115.31 122.22 3fyi h LEU 34 Ca 0.44 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 3fyi h LEU 34 Cb 0.72 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3fyi h LEU 34 CO -0.45 0.43 -0.01 -0.26 0.09 0.00 0.00 178.44 178.24 3fyi h PHE 35 N 0.07 1.03 0.11 1.13 0.04 -1.18 -2.11 116.94 116.03 3fyi h PHE 35 Ca 0.05 -0.18 -0.01 0.00 2.80 0.00 0.00 57.97 60.63 3fyi h PHE 35 Cb 0.28 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.17 3fyi h PHE 35 CO 0.01 0.95 -0.06 1.15 -0.60 0.00 0.00 178.31 179.77 3fyi h THR 36 N 0.81 1.08 -0.97 -1.55 2.02 -1.11 -1.97 112.91 111.21 3fyi h THR 36 Ca 0.15 -0.92 0.21 0.00 0.77 0.00 0.00 66.41 66.62 3fyi h THR 36 Cb 0.55 1.64 -0.09 0.00 -1.74 0.00 0.00 68.15 68.52 3fyi h THR 36 CO 0.03 0.21 0.62 1.23 0.37 0.00 0.00 175.52 177.99 3fyi h GLY 37 N -0.59 1.30 1.63 2.16 0.00 -0.92 0.28 103.07 106.92 3fyi h GLY 37 Ca -0.02 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 46.92 3fyi h GLY 37 CO 0.03 -0.05 -0.48 -1.33 0.00 0.00 0.00 176.54 174.70 3fyi h GLY 38 N 0.54 0.44 0.73 4.60 0.00 -1.27 -0.39 103.07 107.73 3fyi h GLY 38 Ca 0.54 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 47.29 3fyi h GLY 38 CO -0.28 0.42 -0.36 -2.00 0.00 0.00 0.00 176.54 174.32 3fyi h LEU 39 N 0.32 0.45 -0.35 3.11 5.85 -0.29 -2.19 115.31 122.22 3fyi h LEU 39 Ca 0.02 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.10 3fyi h LEU 39 Cb 0.97 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 3fyi h LEU 39 CO 0.08 1.02 0.23 0.58 -0.34 0.00 0.00 178.44 180.01 3fyi h VAL 40 N -0.09 1.09 -1.00 1.05 2.07 -1.06 -2.18 116.25 116.13 3fyi h VAL 40 Ca -0.02 -0.16 0.23 0.00 0.82 0.00 0.00 66.70 67.57 3fyi h VAL 40 Cb 1.01 0.58 -0.12 0.00 -1.52 0.00 0.00 31.29 31.24 3fyi h VAL 40 CO 0.07 0.09 0.59 1.23 0.02 0.00 0.00 177.57 179.57 3fyi h GLY 41 N 0.47 1.87 1.18 2.17 0.00 -1.07 0.13 103.07 107.82 3fyi h GLY 41 Ca 0.13 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 47.00 3fyi h GLY 41 CO -0.03 -0.20 -0.24 -2.00 0.00 0.00 0.00 176.54 174.08 3fyi h LEU 42 N 0.63 0.96 0.18 3.11 5.85 -0.79 0.08 115.31 125.33 3fyi h LEU 42 Ca 0.62 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 3fyi h LEU 42 Cb 1.13 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.90 3fyi h LEU 42 CO -0.45 1.15 -0.09 0.40 -0.34 0.00 0.00 178.44 179.11 3fyi h ILE 43 N 0.80 0.92 -0.55 4.05 2.04 -0.61 -0.90 117.51 123.26 3fyi h ILE 43 Ca 0.10 -0.49 0.03 0.00 1.00 0.00 0.00 64.86 65.50 3fyi h ILE 43 Cb 0.80 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 3fyi h ILE 43 CO 0.07 0.11 0.37 -1.28 0.00 0.00 0.00 178.15 177.42 3fyi h SER 44 N -0.48 0.57 0.30 1.72 0.87 -0.79 -2.14 113.55 113.60 3fyi h SER 44 Ca -0.02 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.36 3fyi h SER 44 Cb 0.37 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3fyi h SER 44 CO 0.04 0.40 -0.67 0.58 -0.53 0.00 0.00 176.83 176.65 3fyi h VAL 45 N 0.67 1.38 -0.85 2.23 2.07 -0.86 -2.83 116.25 118.05 3fyi h VAL 45 Ca 0.22 -2.07 0.04 0.00 0.82 0.00 0.00 66.70 65.70 3fyi h VAL 45 Cb 0.05 2.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 3fyi h VAL 45 CO -0.06 0.62 0.55 0.00 0.02 0.00 0.00 177.57 178.70 3fyi h ALA 46 N 1.05 1.13 -0.11 1.67 0.00 -0.54 -1.62 119.26 120.85 3fyi h ALA 46 Ca -0.02 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3fyi h ALA 46 Cb 1.21 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 3fyi h ALA 46 CO 0.11 0.38 -0.22 0.74 0.00 0.00 0.00 179.25 180.26 3fyi h PHE 47 N 1.06 -0.58 -0.16 0.00 -1.00 -1.25 -2.07 116.94 112.93 3fyi h PHE 47 Ca 0.34 0.03 0.03 0.00 2.81 0.00 0.00 57.97 61.18 3fyi h PHE 47 Cb 0.02 0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 3fyi h PHE 47 CO -0.02 -0.30 0.11 1.79 -1.61 0.00 0.00 178.31 178.28 3fyi h THR 48 N -0.29 0.97 -0.28 -1.55 1.35 -1.21 0.40 112.91 112.30 3fyi h THR 48 Ca 0.09 -0.03 -0.10 0.00 -0.55 0.00 0.00 66.41 65.82 3fyi h THR 48 Cb 0.43 0.87 -0.01 0.00 -1.73 0.00 0.00 68.15 67.71 3fyi h THR 48 CO -0.28 0.02 -0.23 0.58 -0.25 0.00 0.00 175.52 175.36 3fyi h VAL 49 N 0.09 1.30 -0.42 6.82 2.07 -0.79 0.63 116.25 125.95 3fyi h VAL 49 Ca 0.07 -1.38 -0.08 0.00 0.82 0.00 0.00 66.70 66.14 3fyi h VAL 49 Cb 0.17 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3fyi h VAL 49 CO -0.01 0.44 -0.03 0.22 0.02 0.00 0.00 177.57 178.21 3fyi h TYR 50 N 0.39 0.85 -0.45 1.57 3.20 -0.59 0.23 116.97 122.16 3fyi h TYR 50 Ca 0.05 -0.16 0.09 0.00 3.14 0.00 0.00 58.73 61.85 3fyi h TYR 50 Cb 0.78 -0.22 -0.07 0.00 1.54 0.00 0.00 36.73 38.76 3fyi h TYR 50 CO 0.07 0.85 -0.01 0.52 -1.64 0.00 0.00 178.16 177.95 3fyi h MET 51 N 0.60 0.10 0.00 1.82 2.86 -0.19 -2.32 114.93 117.79 3fyi h MET 51 Ca 0.12 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 3fyi h MET 51 Cb 0.54 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 3fyi h MET 51 CO 0.03 0.06 -0.21 0.00 1.06 0.00 0.00 176.91 177.86 3fyi h ARG 52 N 0.10 0.00 -0.17 1.72 2.47 -0.60 -1.91 114.38 115.98 3fyi h ARG 52 Ca 0.22 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.93 3fyi h ARG 52 Cb 0.33 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 3fyi h ARG 52 CO -0.38 0.21 0.07 0.52 0.56 0.00 0.00 179.97 180.95 3fyi h MET 53 N 0.00 0.25 -0.14 0.04 2.86 -0.53 -1.94 114.93 115.48 3fyi h MET 53 Ca -0.00 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 3fyi h MET 53 Cb 0.87 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 3fyi h MET 53 CO 0.03 0.32 -0.30 1.49 1.06 0.00 0.00 176.91 179.50 3fyi h GLU 54 N 0.13 0.26 -0.01 1.72 4.57 -1.21 -3.00 114.58 117.05 3fyi h GLU 54 Ca 0.06 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3fyi h GLU 54 Cb 0.16 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 3fyi h GLU 54 CO -0.01 0.55 -0.08 1.28 -1.18 0.00 0.00 179.01 179.57 3fyi n LEU 55 N -4.11 1.08 -0.06 1.64 4.77 -0.74 -3.98 117.00 115.60 3fyi n LEU 55 Ca -0.01 -0.32 -0.03 0.00 -0.03 0.00 0.00 56.01 55.62 3fyi n LEU 55 Cb 0.40 -0.06 0.20 0.00 -2.33 0.00 0.00 43.42 41.63 3fyi n LEU 55 CO 0.41 0.19 0.86 -0.03 -1.33 0.00 0.00 177.39 177.48 3fyi h MET 56 N 1.57 0.68 -4.48 3.23 4.05 -1.20 -3.40 114.93 115.38 3fyi h MET 56 Ca 0.00 -0.19 -0.33 0.00 -0.28 0.00 0.00 59.70 58.90 3fyi h MET 56 Cb 0.43 -0.08 -0.27 0.00 -0.80 0.00 0.00 31.60 30.89 3fyi h MET 56 CO 0.00 0.73 -0.76 0.00 0.23 0.00 0.00 176.91 177.11 3fyi s ALA 57 N -4.89 0.55 0.74 0.39 0.00 -1.26 -3.85 121.76 113.45 3fyi s ALA 57 Ca -0.09 -0.39 -0.15 0.00 0.00 0.00 0.00 51.96 51.34 3fyi s ALA 57 Cb 0.15 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.21 3fyi s ALA 57 CO 0.80 0.10 1.20 -1.25 0.00 0.00 0.00 175.76 176.61 3fyi s PRO 58 N -0.46 2.09 0.00 0.00 0.04 -1.26 -4.75 135.00 130.66 3fyi s PRO 58 Ca -0.00 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.78 3fyi s PRO 58 Cb -0.04 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.67 3fyi s PRO 58 CO -0.00 -1.87 0.00 0.41 0.04 0.00 0.00 177.00 175.58 3fyi n GLY 59 N 0.35 -1.69 3.67 0.56 0.00 -1.26 -4.96 105.19 101.87 3fyi n GLY 59 Ca 0.13 -1.37 -0.39 0.00 0.00 0.00 0.00 46.02 44.40 3fyi n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fyi s VAL 60 N -3.12 5.15 0.00 1.61 1.01 -1.26 -4.93 120.40 118.85 3fyi s VAL 60 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.82 3fyi s VAL 60 Cb 0.00 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3fyi s VAL 60 CO 0.00 0.21 0.00 0.00 0.00 0.00 0.00 175.10 175.31 3fyi n GLN 61 N 4.64 0.96 -0.04 2.72 3.00 -1.26 -4.51 117.38 122.88 3fyi n GLN 61 Ca -0.06 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.84 3fyi n GLN 61 Cb 0.51 -0.92 -0.04 0.00 0.00 0.00 0.00 30.24 29.79 3fyi n GLN 61 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3fyi n PHE 62 N -1.32 0.00 -2.05 1.08 3.01 -1.26 0.12 117.46 117.05 3fyi n PHE 62 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.05 3fyi n PHE 62 Cb 0.00 -0.33 -0.00 0.00 -0.01 0.00 0.00 39.48 39.14 3fyi n PHE 62 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 3fyi n MET 63 N -3.14 3.95 -3.15 -1.08 2.81 -1.26 -4.69 117.12 110.56 3fyi n MET 63 Ca -0.17 -3.29 -0.39 0.00 -1.81 0.00 0.00 57.70 52.04 3fyi n MET 63 Cb 0.64 -2.83 -0.06 0.00 -0.71 0.00 0.00 33.22 30.27 3fyi n MET 63 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3fyi h ALA 65 N 5.15 1.86 -0.11 0.00 0.00 -0.41 -2.53 119.26 123.22 3fyi h ALA 65 Ca -0.46 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.48 3fyi h ALA 65 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3fyi h ALA 65 CO 0.68 -0.02 0.17 0.93 0.00 0.00 0.00 179.25 181.01 3fyi h GLU 66 N 0.00 0.00 0.00 0.00 3.07 -1.90 -1.16 114.58 114.59 3fyi h GLU 66 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3fyi h GLU 66 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3fyi h GLU 66 CO -0.00 0.00 0.00 0.72 -1.40 0.00 0.00 179.01 178.33 3fyi n HIS 67 N -3.53 0.00 0.03 4.33 8.25 -0.95 -3.59 115.22 119.76 3fyi n HIS 67 Ca -0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 3fyi n HIS 67 Cb 0.27 -0.23 -0.14 0.00 1.12 0.00 0.00 29.99 31.02 3fyi n HIS 67 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3fyi h LEU 68 N 0.00 0.16 -0.74 2.41 3.38 -1.39 -3.32 115.31 115.80 3fyi h LEU 68 Ca 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3fyi h LEU 68 Cb 0.23 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3fyi h LEU 68 CO 0.00 1.21 0.00 -0.33 0.09 0.00 0.00 178.44 179.41 3fyi h GLU 69 N 0.03 0.00 0.00 1.13 4.39 -1.70 -3.44 114.58 114.98 3fyi h GLU 69 Ca -0.21 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.34 3fyi h GLU 69 Cb 1.96 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 30.67 3fyi h GLU 69 CO 0.12 0.00 0.14 0.43 -1.16 0.00 0.00 179.01 178.54 3fyi n SER 70 N -2.73 0.02 -4.77 1.42 7.64 -1.25 -5.08 113.62 108.86 3fyi n SER 70 Ca 0.02 -1.16 -0.29 0.00 1.01 0.00 0.00 58.87 58.46 3fyi n SER 70 Cb 0.35 -0.35 0.14 0.00 -1.01 0.00 0.00 64.21 63.34 3fyi n SER 70 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3fyi s GLY 71 N -3.99 1.57 0.10 0.23 0.00 -1.26 -4.78 107.32 99.19 3fyi s GLY 71 Ca 0.26 -0.51 -0.13 0.00 0.00 0.00 0.00 44.72 44.34 3fyi s GLY 71 CO 0.18 0.05 1.32 -2.00 0.00 0.00 0.00 173.10 172.65 3fyi h LEU 72 N -1.54 0.95 0.07 0.66 5.85 -1.93 0.19 115.31 119.56 3fyi h LEU 72 Ca -0.51 -0.62 -0.29 0.00 0.84 0.00 0.00 57.88 57.30 3fyi h LEU 72 Cb 1.33 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 3fyi h LEU 72 CO 0.61 1.41 -1.50 0.58 -0.34 0.00 0.00 178.44 179.20 3fyi h VAL 73 N 0.56 1.15 -0.33 1.05 2.07 -1.99 -3.19 116.25 115.56 3fyi h VAL 73 Ca -0.04 -2.86 -0.07 0.00 0.82 0.00 0.00 66.70 64.54 3fyi h VAL 73 Cb 1.38 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 33.82 3fyi h VAL 73 CO 0.16 0.78 -0.08 0.11 0.02 0.00 0.00 177.57 178.55 3fyi h LYS 74 N 0.04 0.64 0.00 1.57 1.57 -1.94 -3.14 116.57 115.31 3fyi h LYS 74 Ca -0.22 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.28 3fyi h LYS 74 Cb 1.97 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 34.24 3fyi h LYS 74 CO 0.13 0.82 -0.15 0.78 -0.57 0.00 0.00 179.45 180.46 3fyi h GLY 75 N 0.42 0.00 0.97 3.86 0.00 -0.76 -3.02 103.07 104.54 3fyi h GLY 75 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 3fyi h GLY 75 CO 0.03 0.00 -0.23 -2.75 0.00 0.00 0.00 176.54 173.59 3fyi h PHE 76 N 0.00 -0.60 0.00 5.60 3.57 -1.53 -1.74 116.94 122.25 3fyi h PHE 76 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 3fyi h PHE 76 Cb 0.62 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.56 3fyi h PHE 76 CO 0.00 -0.37 -0.12 0.74 -2.23 0.00 0.00 178.31 176.34 3fyi h PHE 77 N -0.62 0.00 -0.00 0.41 0.04 -1.61 -2.75 116.94 112.40 3fyi h PHE 77 Ca -0.06 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.71 3fyi h PHE 77 Cb 0.49 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.64 3fyi h PHE 77 CO -0.06 0.12 0.00 1.96 -0.60 0.00 0.00 178.31 179.73 3fyi h GLN 78 N 0.00 0.00 0.00 1.51 4.20 -1.49 -3.23 115.11 116.11 3fyi h GLN 78 Ca -0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3fyi h GLN 78 Cb 0.90 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.68 3fyi h GLN 78 CO 0.02 0.12 0.00 -1.13 -0.67 0.00 0.00 178.83 177.16 3fyi n SER 79 N -5.03 0.44 0.03 1.46 3.41 -0.66 -1.80 113.62 111.47 3fyi n SER 79 Ca -0.07 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 3fyi n SER 79 Cb 0.08 -0.71 0.37 0.00 -0.26 0.00 0.00 64.21 63.69 3fyi n SER 79 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3fyi n LEU 80 N -2.00 0.45 -4.56 1.04 4.32 -1.17 -4.75 117.00 110.33 3fyi n LEU 80 Ca 0.02 0.30 -0.34 0.00 -0.02 0.00 0.00 56.01 55.97 3fyi n LEU 80 Cb 0.18 -0.32 -0.11 0.00 -1.62 0.00 0.00 43.42 41.55 3fyi n LEU 80 CO 0.16 -0.01 -0.35 0.86 -1.22 0.00 0.00 177.39 176.84 3fyi s TRP 81 N -3.06 3.04 0.04 -1.77 -0.11 -0.75 -5.09 118.94 111.25 3fyi s TRP 81 Ca 0.11 -0.11 -0.30 0.00 1.22 0.00 0.00 56.10 57.01 3fyi s TRP 81 Cb 0.16 -1.87 -0.06 0.00 -1.50 0.00 0.00 33.47 30.20 3fyi s TRP 81 CO 0.64 0.16 1.35 -1.25 -4.62 0.00 0.00 176.95 173.23 3fyi s PRO 82 N -0.16 4.32 0.45 5.86 0.04 -1.26 -4.75 135.00 139.51 3fyi s PRO 82 Ca 0.03 1.94 -0.02 0.00 0.04 0.00 0.00 61.00 63.00 3fyi s PRO 82 Cb -0.13 -3.45 -0.02 0.00 0.04 0.00 0.00 34.50 30.94 3fyi s PRO 82 CO 0.02 -0.48 0.71 -1.12 0.04 0.00 0.00 177.00 176.17 3fyi s SER 83 N 1.53 6.03 0.45 6.66 0.01 0.12 -5.02 113.70 123.48 3fyi s SER 83 Ca 0.63 0.57 -0.21 0.00 1.31 0.00 0.00 55.95 58.24 3fyi s SER 83 Cb -0.32 -1.88 -0.09 0.00 0.21 0.00 0.00 66.02 63.93 3fyi s SER 83 CO 0.28 -0.62 1.01 0.00 0.41 0.00 0.00 173.24 174.32 3fyi s ALA 84 N -2.61 2.98 0.23 1.44 0.00 -1.26 -4.59 121.76 117.94 3fyi s ALA 84 Ca 0.47 0.56 -0.07 0.00 0.00 0.00 0.00 51.96 52.92 3fyi s ALA 84 Cb -0.10 -3.22 0.36 0.00 0.00 0.00 0.00 23.12 20.16 3fyi s ALA 84 CO 0.40 -0.14 1.73 0.28 0.00 0.00 0.00 175.76 178.03 3fyi h VAL 85 N 1.83 0.69 0.00 0.00 2.07 -1.90 0.13 116.25 119.07 3fyi h VAL 85 Ca -0.49 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3fyi h VAL 85 Cb 1.21 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3fyi h VAL 85 CO 0.60 0.07 0.10 1.05 0.02 0.00 0.00 177.57 179.42 3fyi h GLU 86 N 0.39 0.00 -0.18 1.57 9.09 -1.92 -1.06 114.58 122.46 3fyi h GLU 86 Ca 0.36 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.77 3fyi h GLU 86 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.61 3fyi h GLU 86 CO -0.37 0.00 0.00 0.09 0.05 0.00 0.00 179.01 178.78 3fyi n ASN 87 N -2.84 2.50 -3.99 3.06 3.02 0.39 -4.92 115.26 112.48 3fyi n ASN 87 Ca -0.02 -1.73 -0.31 0.00 -0.03 0.00 0.00 54.58 52.48 3fyi n ASN 87 Cb 0.16 -0.12 -0.15 0.00 -0.61 0.00 0.00 39.78 39.06 3fyi n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fyi s THR 89 N 1.13 4.47 0.16 0.00 2.01 -1.26 -4.87 115.64 117.27 3fyi s THR 89 Ca 0.01 1.16 -0.33 0.00 0.31 0.00 0.00 61.69 62.84 3fyi s THR 89 Cb -0.19 -4.42 -0.13 0.00 0.01 0.00 0.00 72.50 67.76 3fyi s THR 89 CO -0.08 -0.70 1.63 -2.65 -0.69 0.00 0.00 174.62 172.13 3fyi n PRO 90 N 7.10 2.29 -3.75 4.92 -0.02 -1.26 0.32 135.00 144.60 3fyi n PRO 90 Ca 0.08 0.83 -0.35 0.00 -2.02 0.00 0.00 63.50 62.04 3fyi n PRO 90 Cb 0.48 -2.62 -0.10 0.00 -0.02 0.00 0.00 33.50 31.24 3fyi n PRO 90 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3fyi s ASN 91 N 1.18 5.18 0.55 2.55 2.47 -0.19 -4.69 114.94 122.00 3fyi s ASN 91 Ca 0.79 -3.10 0.23 0.00 0.42 0.00 0.00 52.86 51.20 3fyi s ASN 91 Cb -0.64 -1.82 1.46 0.00 -1.45 0.00 0.00 41.25 38.81 3fyi s ASN 91 CO 0.37 -0.30 2.10 1.23 -3.72 0.00 0.00 177.10 176.79 3fyi h GLY 92 N 6.65 0.00 1.08 1.21 0.00 -1.93 -2.84 103.07 107.25 3fyi h GLY 92 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.25 3fyi h GLY 92 CO 0.73 0.00 -0.00 0.84 0.00 0.00 0.00 176.54 178.11 3fyi h HIS 93 N 0.00 1.17 -0.54 5.60 6.17 -1.97 -1.68 115.15 123.91 3fyi h HIS 93 Ca 0.10 -0.21 -0.02 0.00 0.71 0.00 0.00 60.37 60.95 3fyi h HIS 93 Cb 0.43 -0.30 -0.02 0.00 2.52 0.00 0.00 27.41 30.03 3fyi h HIS 93 CO 0.00 1.03 0.26 1.25 0.71 0.00 0.00 177.93 181.19 3fyi h LEU 94 N 0.98 0.70 -0.16 0.26 5.85 -1.87 0.02 115.31 121.09 3fyi h LEU 94 Ca 0.17 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.81 3fyi h LEU 94 Cb 0.57 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 3fyi h LEU 94 CO 0.03 0.63 -0.13 -0.25 -0.34 0.00 0.00 178.44 178.38 3fyi h TRP 95 N 0.72 -0.33 -0.57 1.25 2.91 -1.55 -0.03 115.95 118.35 3fyi h TRP 95 Ca 0.19 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.23 3fyi h TRP 95 Cb 0.11 0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 28.90 3fyi h TRP 95 CO -0.01 -0.20 0.35 -0.91 -1.03 0.00 0.00 178.44 176.64 3fyi h ASN 96 N -0.14 0.67 -0.20 2.65 2.35 -0.89 -2.19 115.58 117.82 3fyi h ASN 96 Ca 0.10 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 3fyi h ASN 96 Cb 0.29 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 3fyi h ASN 96 CO -0.25 0.51 -0.13 0.58 -1.65 0.00 0.00 177.43 176.50 3fyi h VAL 97 N 0.78 1.31 -0.12 2.81 2.07 -0.54 -2.55 116.25 120.02 3fyi h VAL 97 Ca 0.21 -1.22 0.03 0.00 0.82 0.00 0.00 66.70 66.53 3fyi h VAL 97 Cb -0.04 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3fyi h VAL 97 CO -0.04 0.37 -0.05 0.24 0.02 0.00 0.00 177.57 178.11 3fyi h MET 98 N 0.13 -0.04 -0.14 1.57 2.86 -0.64 -0.08 114.93 118.59 3fyi h MET 98 Ca 0.04 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.56 3fyi h MET 98 Cb 0.63 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 3fyi h MET 98 CO 0.04 -0.02 -0.47 -0.84 1.06 0.00 0.00 176.91 176.67 3fyi h ILE 99 N -0.04 1.33 -0.25 -1.22 -0.00 -1.48 0.20 117.51 116.06 3fyi h ILE 99 Ca 0.06 -1.68 -0.05 0.00 -0.00 0.00 0.00 64.86 63.19 3fyi h ILE 99 Cb 0.13 1.74 -0.01 0.00 -0.00 0.00 0.00 36.82 38.68 3fyi h ILE 99 CO -0.14 0.51 -0.06 0.74 -0.00 0.00 0.00 178.15 179.20 3fyi h THR 100 N 0.29 1.28 0.07 0.16 2.02 -1.37 -1.21 112.91 114.16 3fyi h THR 100 Ca 0.02 -1.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.13 3fyi h THR 100 Cb 0.94 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 3fyi h THR 100 CO 0.08 0.33 -0.03 1.23 0.37 0.00 0.00 175.52 177.50 3fyi h GLY 101 N 0.22 -0.10 -0.08 2.16 0.00 -0.69 -0.42 103.07 104.15 3fyi h GLY 101 Ca 0.06 0.04 0.10 0.00 0.00 0.00 0.00 47.33 47.53 3fyi h GLY 101 CO 0.02 -0.04 -0.18 0.84 0.00 0.00 0.00 176.54 177.19 3fyi h HIS 102 N -0.13 -0.43 -0.13 5.60 -0.00 -0.60 -1.10 115.15 118.36 3fyi h HIS 102 Ca -0.01 0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 3fyi h HIS 102 Cb 0.11 0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.78 3fyi h HIS 102 CO -0.06 -0.27 0.03 0.78 -0.00 0.00 0.00 177.93 178.41 3fyi h GLY 103 N -0.07 0.21 0.96 5.26 0.00 -1.01 -2.18 103.07 106.25 3fyi h GLY 103 Ca 0.23 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 3fyi h GLY 103 CO -0.54 0.12 0.05 -2.22 0.00 0.00 0.00 176.54 173.95 3fyi h ILE 104 N 0.01 1.25 -0.36 2.60 2.04 -0.93 -1.56 117.51 120.55 3fyi h ILE 104 Ca 0.04 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 64.97 3fyi h ILE 104 Cb 0.24 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3fyi h ILE 104 CO -0.00 0.33 0.22 -0.07 0.00 0.00 0.00 178.15 178.62 3fyi h LEU 105 N 0.59 0.36 -0.11 1.44 3.38 -1.23 -1.37 115.31 118.37 3fyi h LEU 105 Ca 0.13 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3fyi h LEU 105 Cb 0.42 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3fyi h LEU 105 CO 0.01 0.26 0.05 0.24 0.09 0.00 0.00 178.44 179.10 3fyi h MET 106 N 0.45 0.15 0.00 1.13 2.86 -1.27 0.11 114.93 118.35 3fyi h MET 106 Ca 0.14 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 3fyi h MET 106 Cb -0.01 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 3fyi h MET 106 CO -0.06 0.22 -0.22 0.52 1.06 0.00 0.00 176.91 178.44 3fyi h MET 107 N 0.05 0.00 0.00 1.72 2.86 -1.19 -3.09 114.93 115.27 3fyi h MET 107 Ca 0.04 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 3fyi h MET 107 Cb 0.12 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 3fyi h MET 107 CO -0.00 0.07 -1.14 1.19 1.06 0.00 0.00 176.91 178.08 3fyi n PHE 108 N -3.06 0.00 -0.32 -0.22 3.72 -0.53 -4.82 117.46 112.24 3fyi n PHE 108 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 3fyi n PHE 108 Cb 0.56 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 3fyi n PHE 108 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3fyi n PHE 109 N -2.06 0.00 0.00 1.38 3.72 0.22 -4.67 117.46 116.04 3fyi n PHE 109 Ca -0.03 -0.35 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 3fyi n PHE 109 Cb 0.55 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 3fyi n PHE 109 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3fyi n VAL 110 N -0.35 0.00 -0.01 -4.37 0.31 -0.29 -4.66 118.33 108.95 3fyi n VAL 110 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 3fyi n VAL 110 Cb 0.33 -0.53 -0.08 0.00 -0.91 0.00 0.00 33.84 32.65 3fyi n VAL 110 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 3fyi h VAL 111 N 0.00 1.31 -0.05 2.52 -1.51 -1.81 -1.53 116.25 115.18 3fyi h VAL 111 Ca 0.00 -1.97 -0.02 0.00 -1.23 0.00 0.00 66.70 63.48 3fyi h VAL 111 Cb 0.00 2.14 -0.00 0.00 -2.13 0.00 0.00 31.29 31.30 3fyi h VAL 111 CO 0.00 0.61 -0.03 0.40 -1.23 0.00 0.00 177.57 177.32 3fyi h ILE 112 N 0.35 1.33 -1.01 7.19 2.04 -1.88 0.10 117.51 125.63 3fyi h ILE 112 Ca -0.06 -1.04 0.24 0.00 1.00 0.00 0.00 64.86 64.99 3fyi h ILE 112 Cb 1.36 1.93 -0.11 0.00 -0.74 0.00 0.00 36.82 39.27 3fyi h ILE 112 CO 0.15 0.28 0.62 -0.65 0.00 0.00 0.00 178.15 178.56 3fyi h PRO 113 N -0.29 0.54 -0.07 2.37 0.11 -1.83 0.20 132.00 133.04 3fyi h PRO 113 Ca 0.01 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.99 3fyi h PRO 113 Cb 0.47 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.46 3fyi h PRO 113 CO 0.01 0.36 -0.34 0.00 -0.21 0.00 0.00 178.00 177.82 3fyi h ALA 114 N 1.67 0.13 0.09 -0.75 0.00 -0.92 0.16 119.26 119.64 3fyi h ALA 114 Ca 0.60 -0.45 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 3fyi h ALA 114 Cb 1.23 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3fyi h ALA 114 CO -0.38 0.20 -1.07 -0.07 0.00 0.00 0.00 179.25 177.93 3fyi h LEU 115 N -0.14 0.30 0.00 0.00 3.38 -0.62 -2.50 115.31 115.72 3fyi h LEU 115 Ca -0.02 -0.85 -0.12 0.00 0.09 0.00 0.00 57.88 56.98 3fyi h LEU 115 Cb 1.00 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3fyi h LEU 115 CO 0.07 1.47 -0.69 0.15 0.09 0.00 0.00 178.44 179.53 3fyi h PHE 116 N -0.50 0.00 -0.00 1.13 3.57 -0.79 -1.17 116.94 119.17 3fyi h PHE 116 Ca -0.23 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.10 3fyi h PHE 116 Cb 1.57 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.29 3fyi h PHE 116 CO 0.16 1.13 -0.79 0.78 -2.23 0.00 0.00 178.31 177.36 3fyi h GLY 117 N -1.00 0.03 0.00 2.40 0.00 -1.10 -2.90 103.07 100.50 3fyi h GLY 117 Ca -0.18 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3fyi h GLY 117 CO -0.11 0.04 0.00 0.61 0.00 0.00 0.00 176.54 177.08 3fyi n GLY 118 N 0.73 1.24 0.23 4.60 0.00 0.53 -3.64 105.19 108.88 3fyi n GLY 118 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 3fyi n GLY 118 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3fyi h PHE 119 N 0.00 0.00 -0.13 1.61 0.04 -1.44 -1.41 116.94 115.62 3fyi h PHE 119 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3fyi h PHE 119 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 3fyi h PHE 119 CO 0.00 0.18 0.01 0.78 -0.60 0.00 0.00 178.31 178.68 3fyi h GLY 120 N 0.57 0.24 0.88 -1.45 0.00 -1.06 -0.30 103.07 101.95 3fyi h GLY 120 Ca -0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 3fyi h GLY 120 CO 0.02 0.16 -0.01 3.43 0.00 0.00 0.00 176.54 180.14 3fyi h ASN 121 N -0.03 0.52 -0.28 0.19 2.35 -1.32 -2.38 115.58 114.62 3fyi h ASN 121 Ca 0.04 -0.32 -0.04 0.00 -0.55 0.00 0.00 56.30 55.43 3fyi h ASN 121 Cb 0.34 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3fyi h ASN 121 CO 0.01 0.71 0.02 0.22 -1.65 0.00 0.00 177.43 176.74 3fyi h TYR 122 N 0.32 0.53 0.00 1.19 5.03 -1.29 -3.40 116.97 119.35 3fyi h TYR 122 Ca 0.08 -0.08 0.00 0.00 2.58 0.00 0.00 58.73 61.31 3fyi h TYR 122 Cb 0.45 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.59 3fyi h TYR 122 CO 0.04 0.62 -1.65 1.19 -1.32 0.00 0.00 178.16 177.04 3fyi n PHE 123 N -4.61 0.00 -0.14 -3.82 3.72 -0.13 -4.36 117.46 108.12 3fyi n PHE 123 Ca -0.03 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.27 3fyi n PHE 123 Cb 0.24 -0.33 -0.01 0.00 -0.94 0.00 0.00 39.48 38.44 3fyi n PHE 123 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 3fyi h MET 124 N 0.00 0.68 -0.36 -1.08 4.05 -1.54 -0.50 114.93 116.18 3fyi h MET 124 Ca 0.00 -0.19 -0.01 0.00 -0.28 0.00 0.00 59.70 59.23 3fyi h MET 124 Cb 0.66 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 3fyi h MET 124 CO 0.00 0.73 0.20 -1.35 0.23 0.00 0.00 176.91 176.72 3fyi h PRO 125 N 0.54 0.50 -0.28 0.39 0.11 -1.78 -2.63 132.00 128.84 3fyi h PRO 125 Ca 0.12 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 66.24 3fyi h PRO 125 Cb 0.38 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 31.34 3fyi h PRO 125 CO 0.01 0.40 -0.07 -0.07 -0.21 0.00 0.00 178.00 178.06 3fyi h LEU 126 N 0.46 -0.26 -2.04 2.35 3.38 -1.72 0.13 115.31 117.60 3fyi h LEU 126 Ca 0.13 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3fyi h LEU 126 Cb 0.04 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3fyi h LEU 126 CO -0.02 -0.09 -0.03 0.45 0.09 0.00 0.00 178.44 178.84 3fyi h HIS 127 N 0.00 0.00 -0.02 1.13 3.86 -0.94 -2.18 115.15 117.00 3fyi h HIS 127 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 3fyi h HIS 127 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 3fyi h HIS 127 CO -0.27 0.03 -0.43 0.44 0.86 0.00 0.00 177.93 178.55 3fyi n ILE 128 N -4.36 0.00 -2.48 2.45 -5.35 -0.97 -4.55 119.36 104.10 3fyi n ILE 128 Ca -0.03 -0.29 -0.09 0.00 -0.27 0.00 0.00 62.75 62.08 3fyi n ILE 128 Cb 0.11 1.27 0.01 0.00 -1.74 0.00 0.00 39.64 39.29 3fyi n ILE 128 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fyi n GLY 129 N 1.38 0.18 3.85 3.28 0.00 -0.05 -1.71 105.19 112.13 3fyi n GLY 129 Ca 0.09 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 3fyi n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fyi s ALA 130 N -2.71 3.73 0.22 4.61 0.00 0.25 -3.65 121.76 124.20 3fyi s ALA 130 Ca 0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 3fyi s ALA 130 Cb -0.04 -2.31 0.21 0.00 0.00 0.00 0.00 23.12 20.98 3fyi s ALA 130 CO 0.12 0.52 1.58 -1.35 0.00 0.00 0.00 175.76 176.63 3fyi h PRO 131 N 4.42 0.52 0.00 0.00 0.11 -1.84 -3.38 132.00 131.83 3fyi h PRO 131 Ca -0.51 -0.28 -0.01 0.00 0.11 0.00 0.00 66.00 65.30 3fyi h PRO 131 Cb 1.21 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3fyi h PRO 131 CO 0.63 0.87 0.13 -3.47 -0.21 0.00 0.00 178.00 175.94 3fyi n ASP 132 N -4.00 -1.03 -4.79 -2.05 -0.08 -1.26 -4.50 116.55 98.83 3fyi n ASP 132 Ca -0.02 -1.71 -0.34 0.00 -1.51 0.00 0.00 54.79 51.21 3fyi n ASP 132 Cb 0.54 1.72 -0.03 0.00 2.34 0.00 0.00 41.12 45.69 3fyi n ASP 132 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3fyi s MET 133 N -2.04 3.72 0.38 -0.67 -1.94 -1.26 -4.96 119.30 112.53 3fyi s MET 133 Ca 0.07 1.39 0.13 0.00 -1.71 0.00 0.00 55.69 55.56 3fyi s MET 133 Cb -0.02 -2.08 0.93 0.00 2.01 0.00 0.00 34.83 35.67 3fyi s MET 133 CO 0.05 -0.50 1.84 0.00 -0.01 0.00 0.00 175.02 176.40 3fyi h ALA 134 N 1.46 1.99 -2.56 3.03 0.00 -1.91 -3.28 119.26 117.99 3fyi h ALA 134 Ca -0.49 0.03 -0.60 0.00 0.00 0.00 0.00 54.91 53.85 3fyi h ALA 134 Cb 1.23 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 18.55 3fyi h ALA 134 CO 0.59 -0.28 -0.79 1.19 0.00 0.00 0.00 179.25 179.95 3fyi n PHE 135 N -4.58 1.30 0.03 0.00 3.72 -1.26 -4.99 117.46 111.68 3fyi n PHE 135 Ca 0.20 -3.83 0.17 0.00 -0.05 0.00 0.00 57.45 53.94 3fyi n PHE 135 Cb 0.61 -0.25 0.66 0.00 -0.94 0.00 0.00 39.48 39.55 3fyi n PHE 135 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3fyi h PRO 136 N 5.12 0.06 -0.05 -1.08 0.11 -1.84 -1.59 132.00 132.74 3fyi h PRO 136 Ca 0.19 -0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.08 3fyi h PRO 136 Cb 0.81 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3fyi h PRO 136 CO 0.57 0.04 -0.87 0.00 -0.21 0.00 0.00 178.00 177.53 3fyi h ARG 137 N 0.06 0.50 -0.77 1.05 3.08 -1.94 -2.64 114.38 113.71 3fyi h ARG 137 Ca 0.22 -0.48 0.01 0.00 0.07 0.00 0.00 59.98 59.80 3fyi h ARG 137 Cb 0.80 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.94 3fyi h ARG 137 CO -0.01 1.11 0.51 1.98 -1.07 0.00 0.00 179.97 182.49 3fyi h MET 138 N 0.31 1.01 -0.30 0.04 4.05 -1.73 -1.70 114.93 116.60 3fyi h MET 138 Ca -0.07 -0.06 -0.12 0.00 -0.28 0.00 0.00 59.70 59.17 3fyi h MET 138 Cb 1.49 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 32.05 3fyi h MET 138 CO 0.16 0.67 -0.32 -0.97 0.23 0.00 0.00 176.91 176.67 3fyi h ASN 139 N 1.04 0.66 -0.46 1.39 -1.24 -1.30 -0.89 115.58 114.79 3fyi h ASN 139 Ca 0.29 -0.27 -0.13 0.00 0.71 0.00 0.00 56.30 56.89 3fyi h ASN 139 Cb -0.10 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 38.75 3fyi h ASN 139 CO -0.06 0.94 -0.23 -1.13 -1.29 0.00 0.00 177.43 175.65 3fyi h ASN 140 N 0.54 1.00 0.25 1.15 -1.24 -1.25 -3.12 115.58 112.92 3fyi h ASN 140 Ca 0.06 -0.39 -0.01 0.00 0.71 0.00 0.00 56.30 56.67 3fyi h ASN 140 Cb 0.82 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 39.60 3fyi h ASN 140 CO 0.07 1.18 -0.12 0.25 -1.29 0.00 0.00 177.43 177.52 3fyi h LEU 141 N 0.84 -0.28 -0.91 0.34 5.85 -1.04 -2.90 115.31 117.20 3fyi h LEU 141 Ca 0.11 -0.07 0.24 0.00 0.84 0.00 0.00 57.88 59.00 3fyi h LEU 141 Cb 0.81 0.07 -0.13 0.00 0.37 0.00 0.00 40.66 41.78 3fyi h LEU 141 CO 0.07 -0.11 0.39 0.77 -0.34 0.00 0.00 178.44 179.21 3fyi h SER 142 N -0.44 0.29 -0.64 1.25 4.64 -1.23 0.20 113.55 117.61 3fyi h SER 142 Ca -0.03 0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.41 3fyi h SER 142 Cb 0.34 0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.56 3fyi h SER 142 CO 0.06 -0.06 0.22 0.22 -0.87 0.00 0.00 176.83 176.40 3fyi h TYR 143 N 0.35 1.03 -0.11 4.77 3.20 -1.45 -2.16 116.97 122.60 3fyi h TYR 143 Ca 0.59 -0.08 -0.17 0.00 3.14 0.00 0.00 58.73 62.20 3fyi h TYR 143 Cb 1.17 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 3fyi h TYR 143 CO -0.15 0.81 -0.67 -1.49 -1.64 0.00 0.00 178.16 175.03 3fyi h TRP 144 N 0.97 0.58 -0.88 -3.82 4.06 -0.49 -2.03 115.95 114.35 3fyi h TRP 144 Ca 0.22 -0.24 0.02 0.00 2.06 0.00 0.00 58.89 60.96 3fyi h TRP 144 Cb 0.25 -0.10 -0.05 0.00 -1.00 0.00 0.00 29.16 28.27 3fyi h TRP 144 CO 0.02 0.98 0.58 -0.07 -3.56 0.00 0.00 178.44 176.39 3fyi h LEU 145 N 0.32 0.97 -0.31 -4.49 3.38 -1.04 0.26 115.31 114.40 3fyi h LEU 145 Ca -0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3fyi h LEU 145 Cb 1.22 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3fyi h LEU 145 CO 0.12 0.68 0.07 0.22 0.09 0.00 0.00 178.44 179.62 3fyi h TYR 146 N 1.14 0.53 -0.76 1.13 3.20 -1.13 0.98 116.97 122.05 3fyi h TYR 146 Ca 0.34 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 62.10 3fyi h TYR 146 Cb -0.05 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 3fyi h TYR 146 CO -0.00 0.57 0.33 0.28 -1.64 0.00 0.00 178.16 177.70 3fyi h VAL 147 N 0.34 1.25 0.01 1.81 2.07 -1.07 0.20 116.25 120.85 3fyi h VAL 147 Ca 0.10 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 3fyi h VAL 147 Cb 0.31 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3fyi h VAL 147 CO 0.00 0.31 -0.01 0.00 0.02 0.00 0.00 177.57 177.90 3fyi h ALA 148 N 1.17 -0.02 -0.47 1.67 0.00 -0.83 -1.05 119.26 119.73 3fyi h ALA 148 Ca 0.26 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.11 3fyi h ALA 148 Cb 0.17 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.87 3fyi h ALA 148 CO -0.03 -0.35 -0.25 0.78 0.00 0.00 0.00 179.25 179.41 3fyi h GLY 149 N -0.33 0.04 0.75 0.00 0.00 -0.74 -1.62 103.07 101.17 3fyi h GLY 149 Ca -0.00 0.31 0.06 0.00 0.00 0.00 0.00 47.33 47.70 3fyi h GLY 149 CO 0.00 -0.21 0.53 -0.84 0.00 0.00 0.00 176.54 176.02 3fyi h THR 150 N -0.15 1.06 -0.68 4.70 2.02 -0.83 -2.09 112.91 116.94 3fyi h THR 150 Ca 0.22 -0.34 -0.07 0.00 0.77 0.00 0.00 66.41 66.99 3fyi h THR 150 Cb 0.49 -0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 3fyi h THR 150 CO -0.56 0.18 0.16 0.28 0.37 0.00 0.00 175.52 175.96 3fyi h SER 151 N 0.98 1.03 -0.44 4.18 0.02 -0.52 -1.98 113.55 116.82 3fyi h SER 151 Ca 0.37 -0.23 -0.12 0.00 -0.84 0.00 0.00 61.79 60.97 3fyi h SER 151 Cb 0.14 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3fyi h SER 151 CO -0.16 1.00 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.28 3fyi h LEU 152 N 1.02 0.92 -0.61 5.07 3.38 -1.03 -0.85 115.31 123.20 3fyi h LEU 152 Ca 0.21 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.84 3fyi h LEU 152 Cb 0.37 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3fyi h LEU 152 CO 0.00 1.10 0.33 0.00 0.09 0.00 0.00 178.44 179.96 3fyi h ALA 153 N 0.85 0.80 -0.15 1.53 0.00 -1.23 0.69 119.26 121.75 3fyi h ALA 153 Ca 0.10 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3fyi h ALA 153 Cb 0.74 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3fyi h ALA 153 CO 0.06 0.00 -0.49 0.28 0.00 0.00 0.00 179.25 179.10 3fyi h VAL 154 N 0.62 1.33 -0.69 0.00 2.07 -1.29 -3.02 116.25 115.27 3fyi h VAL 154 Ca 0.27 -1.71 -0.06 0.00 0.82 0.00 0.00 66.70 66.01 3fyi h VAL 154 Cb 0.15 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 3fyi h VAL 154 CO -0.17 0.52 0.18 0.00 0.02 0.00 0.00 177.57 178.12 3fyi h ALA 155 N 1.16 1.01 -0.18 1.67 0.00 -0.46 -2.75 119.26 119.71 3fyi h ALA 155 Ca 0.02 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.74 3fyi h ALA 155 Cb 0.97 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3fyi h ALA 155 CO 0.08 0.65 0.15 0.66 0.00 0.00 0.00 179.25 180.79 3fyi h SER 156 N 1.04 0.00 0.61 0.00 4.64 -0.75 0.12 113.55 119.20 3fyi h SER 156 Ca 0.22 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.51 3fyi h SER 156 Cb 0.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3fyi h SER 156 CO -0.00 0.00 -0.13 -0.07 -0.87 0.00 0.00 176.83 175.76 3fyi h LEU 157 N 0.00 0.00 -1.25 5.97 3.38 -1.52 -3.06 115.31 118.83 3fyi h LEU 157 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3fyi h LEU 157 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3fyi h LEU 157 CO -0.00 0.13 -0.01 0.49 0.09 0.00 0.00 178.44 179.14 3fyi n PHE 158 N -3.45 0.00 -3.17 1.13 3.72 -0.09 -3.75 117.46 111.85 3fyi n PHE 158 Ca -0.01 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.07 3fyi n PHE 158 Cb 0.30 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.78 3fyi n PHE 158 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fyi s ALA 159 N -0.69 3.35 -0.07 4.37 0.00 -0.48 -4.85 121.76 123.39 3fyi s ALA 159 Ca 0.09 0.01 -0.37 0.00 0.00 0.00 0.00 51.96 51.69 3fyi s ALA 159 Cb 0.06 -2.73 -0.15 0.00 0.00 0.00 0.00 23.12 20.30 3fyi s ALA 159 CO 0.11 0.35 1.61 -2.30 0.00 0.00 0.00 175.76 175.53 3fyi n PRO 160 N -0.29 1.44 0.00 0.00 -0.02 -1.26 -1.06 135.00 133.81 3fyi n PRO 160 Ca 0.03 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3fyi n PRO 160 Cb 0.53 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3fyi n PRO 160 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fyi n GLY 161 N 3.58 5.51 3.75 -1.23 0.00 0.18 -1.48 105.19 115.50 3fyi n GLY 161 Ca 0.22 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 3fyi n GLY 161 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fyi s GLY 162 N 0.00 2.75 -1.49 -0.02 0.00 -1.07 -3.74 107.32 103.76 3fyi s GLY 162 Ca 0.00 1.02 -0.02 0.00 0.00 0.00 0.00 44.72 45.72 3fyi s GLY 162 CO 0.00 1.42 0.24 0.70 0.00 0.00 0.00 173.10 175.46 3fyi n ASN 163 N -1.53 -5.23 -2.13 1.64 3.02 -1.26 -1.11 115.26 108.66 3fyi n ASN 163 Ca 0.13 -0.09 -0.19 0.00 -0.03 0.00 0.00 54.58 54.40 3fyi n ASN 163 Cb 0.49 -4.33 -0.02 0.00 -0.61 0.00 0.00 39.78 35.32 3fyi n ASN 163 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fyi n GLY 164 N -1.13 -0.14 2.34 7.41 0.00 -1.25 -5.00 105.19 107.42 3fyi n GLY 164 Ca -0.16 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 3fyi n GLY 164 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fyi n GLN 165 N -2.82 1.20 -3.44 1.61 6.02 -0.27 -4.95 117.38 114.73 3fyi n GLN 165 Ca -0.23 -2.36 -0.35 0.00 -0.01 0.00 0.00 57.00 54.05 3fyi n GLN 165 Cb 0.67 0.61 -0.06 0.00 1.02 0.00 0.00 30.24 32.48 3fyi n GLN 165 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3fyi s LEU 166 N 0.00 4.34 0.00 1.08 1.43 -1.26 0.48 118.68 124.75 3fyi s LEU 166 Ca 0.01 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.08 3fyi s LEU 166 Cb -0.00 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 43.05 3fyi s LEU 166 CO 0.01 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.32 3fyi n GLY 167 N 0.83 0.78 3.54 -3.19 0.00 -0.22 -4.73 105.19 102.19 3fyi n GLY 167 Ca -0.06 -1.74 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 3fyi n GLY 167 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fyi s SER 168 N -1.15 6.07 -1.06 1.61 0.01 -1.26 -2.58 113.70 115.34 3fyi s SER 168 Ca 0.00 -0.33 -0.03 0.00 1.31 0.00 0.00 55.95 56.90 3fyi s SER 168 Cb 0.00 -2.14 0.31 0.00 0.21 0.00 0.00 66.02 64.40 3fyi s SER 168 CO 0.00 -0.21 1.53 0.61 0.41 0.00 0.00 173.24 175.57 3fyi n GLY 169 N 5.08 5.34 0.00 3.44 0.00 -1.26 -4.24 105.19 113.55 3fyi n GLY 169 Ca -0.12 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.24 3fyi n GLY 169 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3fyi n ILE 170 N 1.06 0.16 -0.22 -0.61 -5.35 -1.26 -4.83 119.36 108.32 3fyi n ILE 170 Ca 0.29 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 3fyi n ILE 170 Cb 0.32 1.22 0.00 0.00 -1.74 0.00 0.00 39.64 39.44 3fyi n ILE 170 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fyi n GLY 171 N -0.08 -3.02 0.23 3.28 0.00 -1.26 -3.76 105.19 100.58 3fyi n GLY 171 Ca 0.00 -1.21 0.16 0.00 0.00 0.00 0.00 46.02 44.97 3fyi n GLY 171 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3fyi h TRP 172 N 0.07 0.00 -0.01 1.61 5.08 -1.86 -1.02 115.95 119.83 3fyi h TRP 172 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3fyi h TRP 172 Cb 0.10 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.26 3fyi h TRP 172 CO 0.01 0.00 -0.39 1.33 -1.28 0.00 0.00 178.44 178.10 3fyi n VAL 173 N -2.66 0.00 -3.83 0.12 0.24 -1.26 -4.86 118.33 106.08 3fyi n VAL 173 Ca -0.01 -0.22 -0.24 0.00 -2.04 0.00 0.00 64.34 61.83 3fyi n VAL 173 Cb 0.14 0.96 0.01 0.00 -1.47 0.00 0.00 33.84 33.49 3fyi n VAL 173 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3fyi n LEU 174 N -0.22 -2.72 -4.73 1.34 4.77 -0.39 -4.91 117.00 110.15 3fyi n LEU 174 Ca 0.10 -0.87 -0.42 0.00 -0.03 0.00 0.00 56.01 54.79 3fyi n LEU 174 Cb 0.43 -2.50 -0.02 0.00 -2.33 0.00 0.00 43.42 38.99 3fyi n LEU 174 CO 0.27 0.42 1.25 -1.22 -1.33 0.00 0.00 177.39 176.78 3fyi n TYR 175 N -4.38 2.73 -2.55 -1.77 4.02 -1.26 -4.59 117.16 109.37 3fyi n TYR 175 Ca -0.23 0.22 -0.26 0.00 -0.01 0.00 0.00 57.90 57.62 3fyi n TYR 175 Cb 0.65 -2.60 0.03 0.00 -0.02 0.00 0.00 39.34 37.40 3fyi n TYR 175 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3fyi s PRO 176 N -0.04 2.96 0.00 -0.72 0.04 -1.26 -0.89 135.00 135.09 3fyi s PRO 176 Ca 0.68 -0.14 0.18 0.00 0.04 0.00 0.00 61.00 61.76 3fyi s PRO 176 Cb -0.52 -2.35 0.90 0.00 0.04 0.00 0.00 34.50 32.57 3fyi s PRO 176 CO 0.44 -0.59 1.55 -2.30 0.04 0.00 0.00 177.00 176.15 3fyi n PRO 177 N -2.45 0.23 0.01 0.56 -0.02 -1.26 -4.82 135.00 127.25 3fyi n PRO 177 Ca 0.04 0.12 -0.10 0.00 -2.02 0.00 0.00 63.50 61.54 3fyi n PRO 177 Cb 0.58 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.52 3fyi n PRO 177 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3fyi h LEU 178 N 0.00 -0.41 -0.93 2.45 5.85 -1.94 -0.51 115.31 119.82 3fyi h LEU 178 Ca 0.00 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 3fyi h LEU 178 Cb 0.18 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3fyi h LEU 178 CO 0.00 -0.18 -0.11 0.77 -0.34 0.00 0.00 178.44 178.58 3fyi h SER 179 N -0.18 0.65 1.43 1.25 4.64 -1.26 -1.42 113.55 118.65 3fyi h SER 179 Ca 0.08 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3fyi h SER 179 Cb 0.29 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3fyi h SER 179 CO -0.21 0.79 0.00 0.35 -0.87 0.00 0.00 176.83 176.89 3fyi n THR 180 N -4.18 0.54 0.61 2.95 -2.24 -1.12 -3.57 114.28 107.27 3fyi n THR 180 Ca 0.01 -0.26 0.06 0.00 -2.27 0.00 0.00 64.05 61.60 3fyi n THR 180 Cb 0.35 -0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 67.94 3fyi n THR 180 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3fyi n SER 181 N -2.19 0.84 -4.68 3.42 3.41 -0.21 -4.65 113.62 109.56 3fyi n SER 181 Ca 0.06 -0.92 -0.47 0.00 -0.26 0.00 0.00 58.87 57.28 3fyi n SER 181 Cb 0.42 0.86 -0.04 0.00 -0.26 0.00 0.00 64.21 65.18 3fyi n SER 181 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3fyi n GLU 182 N -1.00 2.31 -1.29 4.33 4.07 -0.56 -4.93 120.64 123.57 3fyi n GLU 182 Ca 0.03 0.85 -0.30 0.00 -0.06 0.00 0.00 57.16 57.68 3fyi n GLU 182 Cb 0.22 -2.71 0.12 0.00 -0.06 0.00 0.00 31.44 29.01 3fyi n GLU 182 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 3fyi s SER 183 N 4.00 3.91 0.00 4.31 1.04 -1.26 -4.85 113.70 120.85 3fyi s SER 183 Ca 0.91 1.51 0.00 0.00 0.48 0.00 0.00 55.95 58.86 3fyi s SER 183 Cb -0.64 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.26 3fyi s SER 183 CO 0.49 -2.37 0.00 0.61 0.98 0.00 0.00 173.24 172.95 3fyi n GLY 184 N -1.36 -1.82 0.00 7.32 0.00 -1.26 -2.99 105.19 105.08 3fyi n GLY 184 Ca 0.07 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3fyi n GLY 184 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3fyi n TYR 185 N 0.00 0.00 -0.30 1.61 4.11 -0.55 -4.70 117.16 117.33 3fyi n TYR 185 Ca 0.00 -0.03 0.13 0.00 -0.00 0.00 0.00 57.90 57.99 3fyi n TYR 185 Cb 0.00 -0.00 0.28 0.00 -0.00 0.00 0.00 39.34 39.62 3fyi n TYR 185 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 3fyi h SER 186 N 0.00 -0.07 0.10 9.48 0.87 -1.54 0.14 113.55 122.53 3fyi h SER 186 Ca 0.00 0.20 -0.09 0.00 -1.23 0.00 0.00 61.79 60.67 3fyi h SER 186 Cb 0.06 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 3fyi h SER 186 CO 0.00 -0.18 -0.31 0.74 -0.53 0.00 0.00 176.83 176.55 3fyi h THR 187 N 0.18 1.27 -0.47 2.23 2.02 -1.85 -1.73 112.91 114.56 3fyi h THR 187 Ca 0.55 -1.32 -0.13 0.00 0.77 0.00 0.00 66.41 66.28 3fyi h THR 187 Cb 1.10 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 3fyi h THR 187 CO -0.68 0.40 -0.20 0.44 0.37 0.00 0.00 175.52 175.85 3fyi h ASP 188 N 0.28 0.97 -0.54 4.18 5.19 -1.33 -1.10 116.42 124.08 3fyi h ASP 188 Ca 0.04 -0.36 -0.07 0.00 -0.62 0.00 0.00 57.03 56.02 3fyi h ASP 188 Cb 0.70 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.92 3fyi h ASP 188 CO 0.05 1.14 0.08 -0.07 -3.12 0.00 0.00 179.24 177.32 3fyi h LEU 189 N 0.83 0.90 -0.81 1.55 3.38 -1.07 -1.76 115.31 118.33 3fyi h LEU 189 Ca 0.11 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3fyi h LEU 189 Cb 0.76 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3fyi h LEU 189 CO 0.06 0.92 0.15 0.00 0.09 0.00 0.00 178.44 179.66 3fyi h ALA 190 N 1.19 1.02 -0.51 1.53 0.00 -1.14 -1.34 119.26 120.01 3fyi h ALA 190 Ca 0.18 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3fyi h ALA 190 Cb 0.41 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3fyi h ALA 190 CO 0.01 0.64 0.00 0.82 0.00 0.00 0.00 179.25 180.72 3fyi h ILE 191 N 0.99 1.26 -0.37 0.00 2.04 -0.92 -2.29 117.51 118.23 3fyi h ILE 191 Ca 0.21 -1.08 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 3fyi h ILE 191 Cb 0.36 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3fyi h ILE 191 CO 0.00 0.38 0.13 -0.26 0.00 0.00 0.00 178.15 178.40 3fyi h PHE 192 N 0.77 0.58 -0.67 1.37 0.04 -1.23 -1.50 116.94 116.29 3fyi h PHE 192 Ca 0.15 -0.05 0.15 0.00 2.80 0.00 0.00 57.97 61.01 3fyi h PHE 192 Cb 0.52 -0.17 -0.11 0.00 2.20 0.00 0.00 35.95 38.38 3fyi h PHE 192 CO 0.04 0.55 0.02 0.00 -0.60 0.00 0.00 178.31 178.32 3fyi h ALA 193 N 0.97 0.70 -0.27 2.45 0.00 -1.13 -0.46 119.26 121.52 3fyi h ALA 193 Ca 0.12 0.20 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 3fyi h ALA 193 Cb 0.23 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3fyi h ALA 193 CO -0.01 -0.39 -0.33 0.28 0.00 0.00 0.00 179.25 178.80 3fyi h VAL 194 N 0.13 1.29 -0.43 0.00 2.07 -1.21 -1.41 116.25 116.69 3fyi h VAL 194 Ca 0.36 -1.44 0.04 0.00 0.82 0.00 0.00 66.70 66.48 3fyi h VAL 194 Cb 0.60 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 3fyi h VAL 194 CO -0.57 0.46 0.20 0.45 0.02 0.00 0.00 177.57 178.13 3fyi h HIS 195 N 0.50 0.36 -0.28 1.57 -0.00 -0.25 -0.97 115.15 116.09 3fyi h HIS 195 Ca 0.06 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.39 3fyi h HIS 195 Cb 0.81 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 28.11 3fyi h HIS 195 CO 0.03 0.17 -0.06 -0.07 -0.00 0.00 0.00 177.93 178.00 3fyi h LEU 196 N 0.40 0.54 -0.48 2.43 3.38 -0.87 -1.16 115.31 119.55 3fyi h LEU 196 Ca 0.19 -0.36 0.09 0.00 0.09 0.00 0.00 57.88 57.89 3fyi h LEU 196 Cb 0.13 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.65 3fyi h LEU 196 CO -0.15 0.77 0.02 -1.28 0.09 0.00 0.00 178.44 177.89 3fyi h SER 197 N 0.30 -0.17 -0.78 -0.43 0.87 -1.22 0.03 113.55 112.15 3fyi h SER 197 Ca 0.07 0.11 0.03 0.00 -1.23 0.00 0.00 61.79 60.77 3fyi h SER 197 Cb 0.53 0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 62.63 3fyi h SER 197 CO 0.03 -0.05 0.50 1.23 -0.53 0.00 0.00 176.83 178.00 3fyi h GLY 198 N 0.13 1.13 0.81 5.77 0.00 -0.92 -0.37 103.07 109.62 3fyi h GLY 198 Ca 0.24 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 3fyi h GLY 198 CO -0.38 0.32 0.01 0.00 0.00 0.00 0.00 176.54 176.49 3fyi h ALA 199 N 1.33 0.04 -0.38 3.60 0.00 -0.52 0.15 119.26 123.47 3fyi h ALA 199 Ca 0.31 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.20 3fyi h ALA 199 Cb 0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 3fyi h ALA 199 CO -0.11 -0.36 -0.23 1.03 0.00 0.00 0.00 179.25 179.59 3fyi h SER 200 N -0.16 -0.76 -0.55 0.00 0.87 -0.81 0.20 113.55 112.34 3fyi h SER 200 Ca 0.01 0.16 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3fyi h SER 200 Cb 0.21 0.39 -0.03 0.00 -0.44 0.00 0.00 62.40 62.53 3fyi h SER 200 CO -0.00 -0.25 0.36 0.28 -0.53 0.00 0.00 176.83 176.68 3fyi h SER 201 N -0.16 0.61 -0.44 6.23 0.02 -0.92 -0.91 113.55 117.97 3fyi h SER 201 Ca 0.19 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 3fyi h SER 201 Cb 0.46 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 3fyi h SER 201 CO -0.48 0.44 0.09 0.40 -1.14 0.00 0.00 176.83 176.14 3fyi h ILE 202 N 0.72 1.24 -0.11 3.27 2.04 -0.52 0.85 117.51 125.01 3fyi h ILE 202 Ca 0.21 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 3fyi h ILE 202 Cb -0.06 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3fyi h ILE 202 CO -0.06 0.30 0.07 -0.07 0.00 0.00 0.00 178.15 178.39 3fyi h LEU 203 N 0.59 0.13 -0.70 1.44 3.38 -0.86 -1.24 115.31 118.05 3fyi h LEU 203 Ca 0.14 -0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.18 3fyi h LEU 203 Cb 0.35 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.98 3fyi h LEU 203 CO 0.00 0.15 0.27 1.23 0.09 0.00 0.00 178.44 180.18 3fyi h GLY 204 N 0.11 1.03 1.49 0.83 0.00 -0.97 -1.86 103.07 103.69 3fyi h GLY 204 Ca 0.04 -0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 3fyi h GLY 204 CO -0.01 -0.07 -0.17 0.00 0.00 0.00 0.00 176.54 176.29 3fyi h ALA 205 N 1.50 1.08 -0.24 3.60 0.00 -0.51 -1.50 119.26 123.19 3fyi h ALA 205 Ca 0.37 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3fyi h ALA 205 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3fyi h ALA 205 CO -0.37 0.56 -0.14 0.82 0.00 0.00 0.00 179.25 180.12 3fyi h ILE 206 N 0.55 1.31 -0.34 0.00 2.04 -0.65 -2.24 117.51 118.16 3fyi h ILE 206 Ca 0.09 -1.23 0.04 0.00 1.00 0.00 0.00 64.86 64.76 3fyi h ILE 206 Cb 0.60 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 3fyi h ILE 206 CO 0.04 0.38 0.10 -1.13 0.00 0.00 0.00 178.15 177.54 3fyi h ASN 207 N 0.24 0.08 -0.53 1.72 -0.73 -1.26 -1.95 115.58 113.15 3fyi h ASN 207 Ca 0.05 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.27 3fyi h ASN 207 Cb 0.65 0.05 -0.03 0.00 0.27 0.00 0.00 38.32 39.26 3fyi h ASN 207 CO 0.04 0.08 0.34 0.24 -0.37 0.00 0.00 177.43 177.76 3fyi h MET 208 N 0.23 0.71 -0.20 6.67 2.86 -1.22 -0.63 114.93 123.34 3fyi h MET 208 Ca 0.16 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.62 3fyi h MET 208 Cb 0.15 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 3fyi h MET 208 CO -0.18 0.49 -0.40 0.82 1.06 0.00 0.00 176.91 178.70 3fyi h ILE 209 N 0.72 1.30 0.03 -1.22 2.04 -1.28 -1.47 117.51 117.63 3fyi h ILE 209 Ca 0.19 -1.54 -0.15 0.00 1.00 0.00 0.00 64.86 64.36 3fyi h ILE 209 Cb -0.06 1.58 0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3fyi h ILE 209 CO -0.04 0.48 -0.62 0.74 0.00 0.00 0.00 178.15 178.71 3fyi h THR 210 N 0.38 1.46 -0.79 -0.27 2.02 -1.19 -2.56 112.91 111.96 3fyi h THR 210 Ca 0.04 -2.17 -0.01 0.00 0.77 0.00 0.00 66.41 65.03 3fyi h THR 210 Cb 0.86 2.75 -0.04 0.00 -1.74 0.00 0.00 68.15 69.99 3fyi h THR 210 CO 0.07 0.62 0.46 0.74 0.37 0.00 0.00 175.52 177.79 3fyi h THR 211 N -0.20 1.22 -0.26 3.16 2.02 -1.13 -2.39 112.91 115.33 3fyi h THR 211 Ca -0.09 -0.51 -0.16 0.00 0.77 0.00 0.00 66.41 66.43 3fyi h THR 211 Cb 1.36 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3fyi h THR 211 CO 0.12 0.24 -0.45 0.15 0.37 0.00 0.00 175.52 175.95 3fyi h PHE 212 N 1.09 0.94 0.00 3.16 3.04 -1.32 -2.33 116.94 121.52 3fyi h PHE 212 Ca 0.28 -0.33 -0.10 0.00 3.98 0.00 0.00 57.97 61.80 3fyi h PHE 212 Cb -0.02 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.29 3fyi h PHE 212 CO 0.01 1.12 -0.61 -0.07 -2.02 0.00 0.00 178.31 176.74 3fyi h LEU 213 N 0.49 0.00 0.00 0.59 3.38 -1.37 -3.41 115.31 115.00 3fyi h LEU 213 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3fyi h LEU 213 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3fyi h LEU 213 CO 0.10 0.43 -0.91 0.59 0.09 0.00 0.00 178.44 178.74 3fyi n ASN 214 N -3.13 4.57 -0.78 -0.43 3.02 -0.91 -4.81 115.26 112.79 3fyi n ASN 214 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.62 3fyi n ASN 214 Cb 0.72 0.64 0.23 0.00 -0.61 0.00 0.00 39.78 40.76 3fyi n ASN 214 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3fyi n MET 215 N -1.67 2.45 -2.25 3.52 2.81 -0.88 -4.98 117.12 116.12 3fyi n MET 215 Ca 0.00 -2.85 -0.42 0.00 -1.81 0.00 0.00 57.70 52.62 3fyi n MET 215 Cb 0.27 -1.78 -0.03 0.00 -0.71 0.00 0.00 33.22 30.97 3fyi n MET 215 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3fyi s ARG 216 N -2.91 4.37 0.40 0.03 0.52 -1.25 -3.91 118.95 116.19 3fyi s ARG 216 Ca 0.41 1.98 -0.24 0.00 -0.52 0.00 0.00 55.73 57.36 3fyi s ARG 216 Cb 0.34 -3.26 -0.12 0.00 0.52 0.00 0.00 34.95 32.42 3fyi s ARG 216 CO 0.06 -0.35 0.75 0.00 0.02 0.00 0.00 175.30 175.79 3fyi n ALA 217 N 3.67 -0.86 -1.69 2.13 0.00 -0.69 -4.85 120.51 118.22 3fyi n ALA 217 Ca 0.10 0.22 -0.44 0.00 0.00 0.00 0.00 53.44 53.32 3fyi n ALA 217 Cb 0.43 -1.90 -0.03 0.00 0.00 0.00 0.00 19.45 17.96 3fyi n ALA 217 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3fyi n PRO 218 N 0.45 2.26 0.00 0.00 -0.02 -1.26 -1.50 135.00 134.93 3fyi n PRO 218 Ca 0.11 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 3fyi n PRO 218 Cb 0.38 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 3fyi n PRO 218 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fyi n GLY 219 N 2.49 1.67 3.54 -1.23 0.00 -1.26 -4.99 105.19 105.41 3fyi n GLY 219 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3fyi n GLY 219 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fyi s MET 220 N -0.59 3.73 0.90 1.61 0.00 -0.56 -5.00 119.30 119.38 3fyi s MET 220 Ca 0.00 -1.55 -0.12 0.00 0.00 0.00 0.00 55.69 54.01 3fyi s MET 220 Cb 0.00 -5.31 0.13 0.00 0.00 0.00 0.00 34.83 29.65 3fyi s MET 220 CO 0.00 -2.12 1.15 -0.08 0.00 0.00 0.00 175.02 173.97 3fyi s THR 221 N 4.16 1.99 0.39 10.11 -1.32 -1.26 -4.83 115.64 124.88 3fyi s THR 221 Ca 0.46 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 61.08 3fyi s THR 221 Cb -0.00 -2.79 0.13 0.00 -1.51 0.00 0.00 72.50 68.33 3fyi s THR 221 CO -0.05 0.00 1.89 -0.03 -2.21 0.00 0.00 174.62 174.22 3fyi h MET 222 N -1.44 0.00 -0.22 7.08 4.05 -1.98 -1.65 114.93 120.77 3fyi h MET 222 Ca -0.50 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 3fyi h MET 222 Cb 1.33 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.13 3fyi h MET 222 CO 0.62 0.30 0.00 0.72 0.23 0.00 0.00 176.91 178.78 3fyi n HIS 223 N -4.13 0.29 0.03 1.39 8.25 -1.26 -3.70 115.22 116.09 3fyi n HIS 223 Ca -0.02 -0.14 0.06 0.00 -0.26 0.00 0.00 57.72 57.36 3fyi n HIS 223 Cb 0.35 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.37 3fyi n HIS 223 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3fyi n LYS 224 N 0.18 0.54 -1.76 -0.41 5.02 -0.63 -5.00 118.16 116.10 3fyi n LYS 224 Ca 0.10 -0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3fyi n LYS 224 Cb 0.22 -1.27 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 3fyi n LYS 224 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3fyi s VAL 225 N -2.79 2.18 0.77 -0.18 1.01 -1.16 -4.95 120.40 115.28 3fyi s VAL 225 Ca -0.04 0.09 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 3fyi s VAL 225 Cb 0.08 -3.06 0.06 0.00 0.00 0.00 0.00 36.38 33.46 3fyi s VAL 225 CO 0.50 0.01 1.22 -2.65 0.00 0.00 0.00 175.10 174.18 3fyi n PRO 226 N 4.18 0.40 -0.23 2.72 -0.02 -1.26 -4.83 135.00 135.95 3fyi n PRO 226 Ca 0.16 0.21 -0.02 0.00 -2.02 0.00 0.00 63.50 61.82 3fyi n PRO 226 Cb 0.36 -2.46 0.17 0.00 -0.02 0.00 0.00 33.50 31.55 3fyi n PRO 226 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3fyi h LEU 227 N -0.58 0.93 -0.62 2.45 3.38 -1.93 -2.56 115.31 116.39 3fyi h LEU 227 Ca -0.47 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.46 3fyi h LEU 227 Cb 1.31 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.76 3fyi h LEU 227 CO 0.47 0.78 0.31 0.15 0.09 0.00 0.00 178.44 180.25 3fyi h PHE 228 N 1.03 0.56 -0.61 1.13 3.57 -1.92 0.44 116.94 121.14 3fyi h PHE 228 Ca 0.25 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.72 3fyi h PHE 228 Cb 0.09 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3fyi h PHE 228 CO 0.01 0.25 0.14 0.00 -2.23 0.00 0.00 178.31 176.48 3fyi h ALA 229 N 1.35 1.10 -0.65 2.41 0.00 -1.83 -1.12 119.26 120.52 3fyi h ALA 229 Ca 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3fyi h ALA 229 Cb 0.23 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3fyi h ALA 229 CO -0.21 0.60 0.38 -1.49 0.00 0.00 0.00 179.25 178.53 3fyi h TRP 230 N 0.91 0.87 -0.72 0.00 4.06 -1.06 -1.41 115.95 118.59 3fyi h TRP 230 Ca 0.19 -0.01 -0.06 0.00 2.06 0.00 0.00 58.89 61.08 3fyi h TRP 230 Cb 0.34 -0.28 -0.03 0.00 -1.00 0.00 0.00 29.16 28.19 3fyi h TRP 230 CO 0.02 0.60 0.23 0.66 -3.56 0.00 0.00 178.44 176.39 3fyi h SER 231 N 0.88 1.05 -0.32 -3.49 4.64 -0.20 -0.26 113.55 115.86 3fyi h SER 231 Ca 0.23 -0.21 -0.07 0.00 -0.47 0.00 0.00 61.79 61.27 3fyi h SER 231 Cb 0.00 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.80 3fyi h SER 231 CO -0.04 0.98 -0.04 0.40 -0.87 0.00 0.00 176.83 177.26 3fyi h ILE 232 N 1.07 1.24 -0.00 0.95 1.08 -1.18 -1.89 117.51 118.78 3fyi h ILE 232 Ca 0.23 -1.01 -0.00 0.00 -0.39 0.00 0.00 64.86 63.69 3fyi h ILE 232 Cb 0.31 0.97 -0.00 0.00 -3.07 0.00 0.00 36.82 35.02 3fyi h ILE 232 CO -0.01 0.35 0.00 0.15 -0.69 0.00 0.00 178.15 177.95 3fyi h PHE 233 N 0.65 0.00 -0.04 1.37 3.57 -0.54 -2.27 116.94 119.68 3fyi h PHE 233 Ca 0.12 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3fyi h PHE 233 Cb 0.47 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 3fyi h PHE 233 CO 0.02 0.31 0.03 0.28 -2.23 0.00 0.00 178.31 176.72 3fyi h VAL 234 N -0.30 1.03 -0.92 1.41 2.07 -1.06 -2.65 116.25 115.83 3fyi h VAL 234 Ca 0.00 -0.07 0.25 0.00 0.82 0.00 0.00 66.70 67.69 3fyi h VAL 234 Cb 0.31 1.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.94 3fyi h VAL 234 CO 0.00 0.02 0.38 0.74 0.02 0.00 0.00 177.57 178.74 3fyi h THR 235 N 0.04 0.39 -0.57 2.57 2.02 -1.37 -2.04 112.91 113.95 3fyi h THR 235 Ca 0.02 -0.11 -0.10 0.00 0.77 0.00 0.00 66.41 66.99 3fyi h THR 235 Cb 0.02 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.44 3fyi h THR 235 CO -0.00 0.06 -0.02 0.00 0.37 0.00 0.00 175.52 175.93 3fyi h ALA 236 N 1.76 0.77 -0.55 6.16 0.00 -1.05 -1.32 119.26 125.02 3fyi h ALA 236 Ca 0.59 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3fyi h ALA 236 Cb 1.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3fyi h ALA 236 CO -0.58 0.61 0.10 -1.49 0.00 0.00 0.00 179.25 177.89 3fyi h TRP 237 N 0.90 0.91 -0.22 0.00 4.06 -1.21 -2.18 115.95 118.20 3fyi h TRP 237 Ca 0.16 -0.10 -0.01 0.00 2.06 0.00 0.00 58.89 61.00 3fyi h TRP 237 Cb 0.57 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.46 3fyi h TRP 237 CO 0.04 0.78 0.11 -0.07 -3.56 0.00 0.00 178.44 175.74 3fyi h LEU 238 N 0.83 0.29 -0.51 -4.49 3.38 -1.03 -2.99 115.31 110.77 3fyi h LEU 238 Ca 0.18 -0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.13 3fyi h LEU 238 Cb 0.35 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 3fyi h LEU 238 CO 0.00 0.31 0.11 0.40 0.09 0.00 0.00 178.44 179.36 3fyi h ILE 239 N 0.24 0.72 -0.91 1.22 2.04 -1.09 -0.63 117.51 119.10 3fyi h ILE 239 Ca 0.08 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.93 3fyi h ILE 239 Cb 0.09 0.45 -0.06 0.00 -0.74 0.00 0.00 36.82 36.56 3fyi h ILE 239 CO -0.01 0.05 0.59 -0.07 0.00 0.00 0.00 178.15 178.70 3fyi h LEU 240 N 0.25 0.88 0.15 1.44 4.07 -1.26 -1.42 115.31 119.43 3fyi h LEU 240 Ca 0.26 0.01 -0.36 0.00 0.08 0.00 0.00 57.88 57.88 3fyi h LEU 240 Cb 0.35 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.91 3fyi h LEU 240 CO -0.33 0.55 -1.86 0.25 -1.08 0.00 0.00 178.44 175.97 3fyi h LEU 241 N 0.99 0.50 0.00 1.67 6.46 -1.40 -3.40 115.31 120.14 3fyi h LEU 241 Ca 0.40 -0.91 -0.00 0.00 -0.12 0.00 0.00 57.88 57.25 3fyi h LEU 241 Cb 0.26 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.03 3fyi h LEU 241 CO -0.16 1.79 -0.00 0.00 -0.62 0.00 0.00 178.44 179.45 3fyi h ALA 242 N 0.13 -0.00 -0.40 1.25 0.00 -0.97 -3.30 119.26 115.97 3fyi h ALA 242 Ca -0.38 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.13 3fyi h ALA 242 Cb 2.07 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.84 3fyi h ALA 242 CO 0.13 -0.15 0.03 -0.07 0.00 0.00 0.00 179.25 179.20 3fyi h LEU 243 N -0.71 0.58 -1.23 0.00 -0.00 -1.47 -1.75 115.31 110.73 3fyi h LEU 243 Ca -0.00 -0.11 0.02 0.00 -0.00 0.00 0.00 57.88 57.79 3fyi h LEU 243 Cb 0.70 -0.15 -0.04 0.00 -0.00 0.00 0.00 40.66 41.17 3fyi h LEU 243 CO 0.00 0.63 0.53 -0.65 -0.00 0.00 0.00 178.44 178.95 3fyi h PRO 244 N 0.59 1.01 -0.42 1.13 0.11 -1.77 -0.93 132.00 131.74 3fyi h PRO 244 Ca 0.13 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 3fyi h PRO 244 Cb 0.32 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 3fyi h PRO 244 CO 0.01 0.67 0.15 0.28 -0.21 0.00 0.00 178.00 178.90 3fyi h VAL 245 N 1.04 1.21 -0.71 3.15 2.07 -1.42 -2.04 116.25 119.55 3fyi h VAL 245 Ca 0.30 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 67.18 3fyi h VAL 245 Cb -0.06 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 3fyi h VAL 245 CO -0.07 0.24 0.46 0.25 0.02 0.00 0.00 177.57 178.46 3fyi h LEU 246 N 0.53 0.78 -0.56 2.57 5.85 -1.25 -1.66 115.31 121.56 3fyi h LEU 246 Ca 0.14 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.95 3fyi h LEU 246 Cb 0.22 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 3fyi h LEU 246 CO -0.01 0.55 0.12 0.00 -0.34 0.00 0.00 178.44 178.76 3fyi h ALA 247 N 1.28 0.65 0.58 1.25 0.00 -0.87 -0.88 119.26 121.28 3fyi h ALA 247 Ca 0.27 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 3fyi h ALA 247 Cb -0.05 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3fyi h ALA 247 CO -0.08 -0.30 -0.49 0.78 0.00 0.00 0.00 179.25 179.16 3fyi h GLY 248 N 0.25 -1.24 -0.45 0.00 0.00 -0.89 -2.51 103.07 98.23 3fyi h GLY 248 Ca 0.29 0.56 0.12 0.00 0.00 0.00 0.00 47.33 48.30 3fyi h GLY 248 CO -0.37 -0.39 -0.28 0.00 0.00 0.00 0.00 176.54 175.49 3fyi h ALA 249 N -0.89 0.15 0.00 3.60 0.00 -0.81 -1.05 119.26 120.25 3fyi h ALA 249 Ca -0.07 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3fyi h ALA 249 Cb 0.89 0.71 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 3fyi h ALA 249 CO -0.01 -0.58 -0.04 -0.84 0.00 0.00 0.00 179.25 177.78 3fyi h ILE 250 N -0.10 0.08 0.11 0.00 3.07 -1.21 -2.63 117.51 116.83 3fyi h ILE 250 Ca 0.28 -0.90 -0.28 0.00 1.55 0.00 0.00 64.86 65.51 3fyi h ILE 250 Cb 0.54 1.84 0.02 0.00 -0.27 0.00 0.00 36.82 38.95 3fyi h ILE 250 CO -0.71 0.04 -1.19 0.74 -1.05 0.00 0.00 178.15 175.98 3fyi h THR 251 N 0.00 1.38 -0.67 0.16 2.02 -0.86 -1.85 112.91 113.09 3fyi h THR 251 Ca -0.00 -2.67 0.01 0.00 0.77 0.00 0.00 66.41 64.52 3fyi h THR 251 Cb 0.83 2.73 -0.03 0.00 -1.74 0.00 0.00 68.15 69.94 3fyi h THR 251 CO 0.01 0.79 0.44 0.24 0.37 0.00 0.00 175.52 177.37 3fyi h MET 252 N 0.19 0.89 -0.46 6.66 2.86 -1.08 0.87 114.93 124.85 3fyi h MET 252 Ca -0.15 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.40 3fyi h MET 252 Cb 1.87 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 33.31 3fyi h MET 252 CO 0.21 0.59 0.14 -0.07 1.06 0.00 0.00 176.91 178.84 3fyi h LEU 253 N 0.91 0.68 -0.73 1.22 3.38 -1.42 -1.66 115.31 117.68 3fyi h LEU 253 Ca 0.25 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3fyi h LEU 253 Cb -0.10 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 3fyi h LEU 253 CO -0.05 0.70 0.21 0.25 0.09 0.00 0.00 178.44 179.64 3fyi h LEU 254 N 0.61 1.08 -0.29 1.67 5.85 -0.42 -0.69 115.31 123.13 3fyi h LEU 254 Ca 0.15 -0.22 -0.20 0.00 0.84 0.00 0.00 57.88 58.45 3fyi h LEU 254 Cb 0.27 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 3fyi h LEU 254 CO -0.00 1.02 -0.85 0.71 -0.34 0.00 0.00 178.44 178.97 3fyi h THR 255 N 1.10 1.41 -0.10 1.05 1.35 -0.87 -0.17 112.91 116.68 3fyi h THR 255 Ca 0.23 -2.37 -0.05 0.00 -0.55 0.00 0.00 66.41 63.67 3fyi h THR 255 Cb 0.33 2.32 -0.01 0.00 -1.73 0.00 0.00 68.15 69.06 3fyi h THR 255 CO -0.00 0.71 -0.17 0.44 -0.25 0.00 0.00 175.52 176.24 3fyi h ASP 256 N 0.22 0.15 0.13 5.36 5.19 -1.16 0.81 116.42 127.12 3fyi h ASP 256 Ca -0.05 -0.03 -0.29 0.00 -0.62 0.00 0.00 57.03 56.03 3fyi h ASP 256 Cb 1.46 -0.04 0.03 0.00 0.18 0.00 0.00 39.33 40.95 3fyi h ASP 256 CO 0.14 0.34 -1.20 0.03 -3.12 0.00 0.00 179.24 175.44 3fyi h ARG 257 N 0.15 0.62 0.00 3.56 3.08 -0.91 -3.43 114.38 117.46 3fyi h ARG 257 Ca 0.03 -0.79 0.00 0.00 0.07 0.00 0.00 59.98 59.29 3fyi h ARG 257 Cb 0.40 0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3fyi h ARG 257 CO 0.03 1.35 -0.83 0.09 -1.07 0.00 0.00 179.97 179.54 3fyi n ASN 258 N -3.79 4.17 -0.92 7.04 3.02 -0.09 -4.84 115.26 119.84 3fyi n ASN 258 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 3fyi n ASN 258 Cb 0.96 0.50 0.16 0.00 -0.61 0.00 0.00 39.78 40.80 3fyi n ASN 258 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3fyi n PHE 259 N -1.65 0.51 -1.01 3.10 3.72 0.23 -5.00 117.46 117.36 3fyi n PHE 259 Ca 0.00 -1.59 -0.00 0.00 -0.05 0.00 0.00 57.45 55.81 3fyi n PHE 259 Cb 0.33 -0.26 -0.00 0.00 -0.94 0.00 0.00 39.48 38.61 3fyi n PHE 259 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fyi n GLY 260 N -0.96 0.14 3.80 1.37 0.00 -0.94 -4.89 105.19 103.72 3fyi n GLY 260 Ca 0.23 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 3fyi n GLY 260 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fyi s THR 261 N -1.24 3.50 -0.32 2.61 -4.23 -1.08 -4.99 115.64 109.89 3fyi s THR 261 Ca 0.00 0.49 0.16 0.00 -1.18 0.00 0.00 61.69 61.16 3fyi s THR 261 Cb 0.00 -3.17 0.46 0.00 1.34 0.00 0.00 72.50 71.14 3fyi s THR 261 CO 0.00 -0.64 1.02 0.35 -0.54 0.00 0.00 174.62 174.81 3fyi n THR 262 N -3.35 1.35 -0.18 3.99 -2.24 -1.26 -4.23 114.28 108.35 3fyi n THR 262 Ca 0.08 -3.38 0.08 0.00 -2.27 0.00 0.00 64.05 58.56 3fyi n THR 262 Cb 0.54 0.41 0.37 0.00 -2.10 0.00 0.00 70.33 69.56 3fyi n THR 262 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3fyi h PHE 263 N 2.80 0.73 0.00 4.78 0.04 -1.93 -3.12 116.94 120.24 3fyi h PHE 263 Ca -0.02 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3fyi h PHE 263 Cb 1.18 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 39.09 3fyi h PHE 263 CO 0.57 0.37 -0.00 1.19 -0.60 0.00 0.00 178.31 179.83 3fyi n PHE 264 N -4.49 0.00 -3.75 -0.55 3.72 -1.26 -2.28 117.46 108.85 3fyi n PHE 264 Ca 0.11 -0.50 -0.37 0.00 -0.05 0.00 0.00 57.45 56.65 3fyi n PHE 264 Cb 0.28 -0.05 -0.13 0.00 -0.94 0.00 0.00 39.48 38.64 3fyi n PHE 264 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3fyi s GLN 265 N -1.01 3.42 0.52 -1.08 -1.52 -1.19 -3.40 119.66 115.41 3fyi s GLN 265 Ca 0.01 -0.64 0.24 0.00 -1.95 0.00 0.00 55.36 53.02 3fyi s GLN 265 Cb 0.01 -3.35 1.42 0.00 -0.22 0.00 0.00 33.01 30.86 3fyi s GLN 265 CO 0.00 -0.30 2.10 -1.35 -0.25 0.00 0.00 175.29 175.49 3fyi h PRO 266 N 8.24 0.00 -0.05 2.91 0.11 -1.87 0.13 132.00 141.48 3fyi h PRO 266 Ca -0.36 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.71 3fyi h PRO 266 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3fyi h PRO 266 CO 0.59 0.10 -0.19 0.66 -0.21 0.00 0.00 178.00 178.95 3fyi h SER 267 N 0.00 0.07 -0.64 -2.05 4.64 -1.94 -1.86 113.55 111.76 3fyi h SER 267 Ca -0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3fyi h SER 267 Cb 0.23 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3fyi h SER 267 CO 0.01 0.27 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 3fyi n GLY 268 N -0.89 2.55 1.38 -0.77 0.00 -0.78 -4.93 105.19 101.76 3fyi n GLY 268 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.19 3fyi n GLY 268 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fyi n GLY 269 N 1.21 0.74 3.81 -0.02 0.00 -0.70 -4.90 105.19 105.34 3fyi n GLY 269 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 3fyi n GLY 269 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fyi s GLY 270 N -1.84 1.66 -0.15 -0.02 0.00 0.40 -4.91 107.32 102.46 3fyi s GLY 270 Ca 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 44.72 43.76 3fyi s GLY 270 CO 0.00 -0.20 0.15 -0.35 0.00 0.00 0.00 173.10 172.70 3fyi s ASP 271 N -4.40 1.52 0.50 1.64 2.15 -0.96 -3.79 116.67 113.33 3fyi s ASP 271 Ca 0.69 -0.19 0.19 0.00 0.43 0.00 0.00 52.55 53.68 3fyi s ASP 271 Cb -0.09 0.12 1.26 0.00 -0.30 0.00 0.00 42.92 43.91 3fyi s ASP 271 CO 0.53 -0.31 2.05 -0.65 -0.17 0.00 0.00 175.17 176.63 3fyi h PRO 272 N 8.37 0.10 0.00 4.34 0.11 -1.84 -1.07 132.00 142.01 3fyi h PRO 272 Ca -0.15 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.91 3fyi h PRO 272 Cb 1.14 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3fyi h PRO 272 CO 0.24 0.06 -0.21 0.28 -0.21 0.00 0.00 178.00 178.17 3fyi h VAL 273 N 0.10 0.97 -0.36 3.15 2.07 -1.91 -2.84 116.25 117.42 3fyi h VAL 273 Ca 0.16 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 66.95 3fyi h VAL 273 Cb 0.52 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 3fyi h VAL 273 CO -0.02 0.20 0.17 0.25 0.02 0.00 0.00 177.57 178.20 3fyi h LEU 274 N 0.00 0.25 -0.96 2.57 5.85 -1.56 -1.79 115.31 119.68 3fyi h LEU 274 Ca -0.00 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.86 3fyi h LEU 274 Cb 0.41 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.33 3fyi h LEU 274 CO 0.03 0.19 0.59 0.22 -0.34 0.00 0.00 178.44 179.12 3fyi h TYR 275 N 0.36 1.06 -0.58 1.25 3.20 -1.61 -2.59 116.97 118.07 3fyi h TYR 275 Ca 0.15 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 3fyi h TYR 275 Cb 0.07 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 37.98 3fyi h TYR 275 CO -0.10 0.41 0.27 1.96 -1.64 0.00 0.00 178.16 179.05 3fyi h GLN 276 N 0.92 0.84 -0.16 1.82 4.20 -1.34 0.30 115.11 121.69 3fyi h GLN 276 Ca 0.48 -0.13 0.02 0.00 0.06 0.00 0.00 58.65 59.08 3fyi h GLN 276 Cb 0.49 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3fyi h GLN 276 CO -0.27 0.69 0.02 0.45 -0.67 0.00 0.00 178.83 179.06 3fyi h HIS 277 N 0.79 0.04 0.08 2.96 3.86 -1.12 0.62 115.15 122.37 3fyi h HIS 277 Ca 0.20 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.41 3fyi h HIS 277 Cb 0.14 0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.62 3fyi h HIS 277 CO 0.00 0.01 -0.04 0.82 0.86 0.00 0.00 177.93 179.58 3fyi h ILE 278 N 0.09 1.08 -0.14 2.45 2.04 -1.18 -1.30 117.51 120.55 3fyi h ILE 278 Ca 0.07 -0.57 0.05 0.00 1.00 0.00 0.00 64.86 65.41 3fyi h ILE 278 Cb 0.07 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.53 3fyi h ILE 278 CO -0.10 0.14 -0.37 0.25 0.00 0.00 0.00 178.15 178.07 3fyi h LEU 279 N -0.37 -1.17 -0.33 1.44 7.12 -0.38 -2.62 115.31 119.01 3fyi h LEU 279 Ca -0.01 0.16 0.00 0.00 0.13 0.00 0.00 57.88 58.16 3fyi h LEU 279 Cb 0.31 0.49 0.00 0.00 -0.53 0.00 0.00 40.66 40.93 3fyi h LEU 279 CO 0.02 -0.39 0.00 0.79 -0.13 0.00 0.00 178.44 178.72 3fyi n TRP 280 N -5.43 0.63 -0.16 1.25 7.02 0.20 -0.13 117.44 120.84 3fyi n TRP 280 Ca -0.03 0.22 -0.06 0.00 -1.02 0.00 0.00 57.50 56.61 3fyi n TRP 280 Cb 0.35 -0.86 0.12 0.00 -2.42 0.00 0.00 31.31 28.49 3fyi n TRP 280 CO 0.00 0.00 0.00 0.35 -2.02 0.00 0.00 177.69 176.02 3fyi h PHE 281 N 0.00 0.97 0.04 -5.99 3.04 -0.85 -1.88 116.94 112.27 3fyi h PHE 281 Ca 0.00 -0.14 -0.27 0.00 3.98 0.00 0.00 57.97 61.54 3fyi h PHE 281 Cb 0.46 -0.27 0.02 0.00 2.56 0.00 0.00 35.95 38.73 3fyi h PHE 281 CO 0.00 0.86 -1.09 0.35 -2.02 0.00 0.00 178.31 176.41 3fyi h PHE 282 N 0.85 0.95 -0.63 0.41 3.04 -1.13 -3.40 116.94 117.04 3fyi h PHE 282 Ca 0.16 -0.54 -0.08 0.00 3.98 0.00 0.00 57.97 61.49 3fyi h PHE 282 Cb 0.46 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.85 3fyi h PHE 282 CO 0.03 1.38 0.06 0.78 -2.02 0.00 0.00 178.31 178.54 3fyi h GLY 283 N 0.56 1.14 0.64 2.40 0.00 -0.13 -1.06 103.07 106.62 3fyi h GLY 283 Ca -0.14 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 46.39 3fyi h GLY 283 CO 0.21 0.72 -0.25 0.84 0.00 0.00 0.00 176.54 178.05 3fyi h HIS 284 N 0.98 -0.65 -0.98 5.60 -0.00 -1.57 -3.20 115.15 115.32 3fyi h HIS 284 Ca 0.19 -0.02 0.30 0.00 -0.00 0.00 0.00 60.37 60.84 3fyi h HIS 284 Cb 0.48 0.22 -0.18 0.00 -0.00 0.00 0.00 27.41 27.92 3fyi h HIS 284 CO 0.03 -0.34 0.17 -1.35 -0.00 0.00 0.00 177.93 176.44 3fyi h PRO 285 N -1.07 0.02 -0.99 5.26 0.11 -1.63 0.37 132.00 134.08 3fyi h PRO 285 Ca -0.07 -0.00 0.29 0.00 0.11 0.00 0.00 66.00 66.33 3fyi h PRO 285 Cb 0.61 -0.01 -0.14 0.00 0.11 0.00 0.00 31.00 31.57 3fyi h PRO 285 CO 0.12 0.02 0.54 1.49 -0.21 0.00 0.00 178.00 179.96 3fyi h GLU 286 N 0.03 0.38 -0.03 1.05 4.57 -1.20 0.16 114.58 119.53 3fyi h GLU 286 Ca 0.65 -0.02 -0.18 0.00 -1.18 0.00 0.00 59.36 58.63 3fyi h GLU 286 Cb 1.46 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.96 3fyi h GLU 286 CO -0.87 0.25 -0.77 -0.39 -1.18 0.00 0.00 179.01 176.06 3fyi h VAL 287 N 0.39 1.44 -0.09 0.32 -1.51 -0.25 -1.79 116.25 114.76 3fyi h VAL 287 Ca 0.69 -2.33 -0.18 0.00 -1.23 0.00 0.00 66.70 63.65 3fyi h VAL 287 Cb 1.48 2.25 -0.00 0.00 -2.13 0.00 0.00 31.29 32.89 3fyi h VAL 287 CO -0.57 0.68 -0.71 1.88 -1.23 0.00 0.00 177.57 177.63 3fyi h TYR 288 N 0.16 0.56 -0.97 5.19 0.05 -1.19 -2.50 116.97 118.28 3fyi h TYR 288 Ca -0.03 -0.24 0.06 0.00 0.05 0.00 0.00 58.73 58.57 3fyi h TYR 288 Cb 1.34 -0.09 -0.06 0.00 1.01 0.00 0.00 36.73 38.93 3fyi h TYR 288 CO 0.03 0.99 0.63 0.82 -1.05 0.00 0.00 178.16 179.58 3fyi h ILE 289 N 0.29 1.09 -0.10 -2.88 2.04 -0.57 -0.15 117.51 117.24 3fyi h ILE 289 Ca -0.03 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 3fyi h ILE 289 Cb 1.28 -0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3fyi h ILE 289 CO 0.12 0.21 0.01 0.40 0.00 0.00 0.00 178.15 178.89 3fyi h ILE 290 N 1.14 1.23 0.00 -0.67 2.04 -1.23 -3.38 117.51 116.64 3fyi h ILE 290 Ca 0.41 -0.73 -0.22 0.00 1.00 0.00 0.00 64.86 65.32 3fyi h ILE 290 Cb 0.16 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 3fyi h ILE 290 CO -0.16 0.21 -1.38 1.62 0.00 0.00 0.00 178.15 178.44 3fyi h VAL 291 N -0.08 0.88 -0.20 1.67 3.04 -1.03 -3.40 116.25 117.14 3fyi h VAL 291 Ca 0.03 -2.54 0.05 0.00 -1.01 0.00 0.00 66.70 63.23 3fyi h VAL 291 Cb 0.32 2.36 -0.05 0.00 -2.01 0.00 0.00 31.29 31.91 3fyi h VAL 291 CO 0.00 0.50 -0.13 -0.07 -1.01 0.00 0.00 177.57 176.86 3fyi h LEU 292 N 0.00 -0.42 -1.79 3.16 3.38 -1.20 -0.11 115.31 118.32 3fyi h LEU 292 Ca -0.17 0.09 0.14 0.00 0.09 0.00 0.00 57.88 58.03 3fyi h LEU 292 Cb 1.77 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.71 3fyi h LEU 292 CO 0.08 -0.17 0.42 -0.65 0.09 0.00 0.00 178.44 178.21 3fyi h PRO 293 N -0.13 0.20 -0.36 1.13 0.11 -1.78 -0.95 132.00 130.24 3fyi h PRO 293 Ca 0.11 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.11 3fyi h PRO 293 Cb 0.30 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.34 3fyi h PRO 293 CO -0.27 0.14 -0.19 0.00 -0.21 0.00 0.00 178.00 177.46 3fyi h ALA 294 N 1.70 1.00 -0.80 -0.75 0.00 -1.26 -2.21 119.26 116.94 3fyi h ALA 294 Ca 0.30 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3fyi h ALA 294 Cb 0.87 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 3fyi h ALA 294 CO -0.06 0.59 0.49 0.74 0.00 0.00 0.00 179.25 181.02 3fyi h PHE 295 N 0.60 0.91 -0.02 0.00 -1.00 -0.22 -1.67 116.94 115.54 3fyi h PHE 295 Ca 0.09 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.90 3fyi h PHE 295 Cb 0.65 -0.29 -0.00 0.00 3.61 0.00 0.00 35.95 39.92 3fyi h PHE 295 CO 0.03 0.47 0.01 0.78 -1.61 0.00 0.00 178.31 177.99 3fyi h GLY 296 N 0.91 0.03 0.90 -1.45 0.00 -1.11 -2.30 103.07 100.06 3fyi h GLY 296 Ca 0.34 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.67 3fyi h GLY 296 CO -0.16 0.01 0.02 -2.22 0.00 0.00 0.00 176.54 174.19 3fyi h ILE 297 N -0.06 0.96 -0.58 2.60 2.04 -1.24 -2.29 117.51 118.93 3fyi h ILE 297 Ca 0.01 -0.02 0.10 0.00 1.00 0.00 0.00 64.86 65.95 3fyi h ILE 297 Cb 0.09 0.90 -0.08 0.00 -0.74 0.00 0.00 36.82 36.99 3fyi h ILE 297 CO -0.00 0.01 0.16 0.58 0.00 0.00 0.00 178.15 178.90 3fyi h VAL 298 N 0.05 0.71 -0.52 1.67 2.07 -1.30 0.17 116.25 119.10 3fyi h VAL 298 Ca 0.04 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3fyi h VAL 298 Cb 0.03 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 3fyi h VAL 298 CO -0.05 0.06 0.33 0.28 0.02 0.00 0.00 177.57 178.20 3fyi h SER 299 N 0.31 0.61 -0.15 0.57 0.02 -1.18 0.56 113.55 114.29 3fyi h SER 299 Ca 0.30 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 3fyi h SER 299 Cb 0.41 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 3fyi h SER 299 CO -0.35 0.46 0.03 0.45 -1.14 0.00 0.00 176.83 176.28 3fyi h HIS 300 N 0.69 0.26 -0.49 3.45 -0.00 -0.83 -1.48 115.15 116.75 3fyi h HIS 300 Ca 0.19 -0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.50 3fyi h HIS 300 Cb -0.05 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.27 3fyi h HIS 300 CO -0.03 0.41 0.20 0.28 -0.00 0.00 0.00 177.93 178.78 3fyi h VAL 301 N 0.04 1.21 -0.10 2.45 2.07 -0.60 -1.95 116.25 119.38 3fyi h VAL 301 Ca 0.05 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 3fyi h VAL 301 Cb 0.28 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3fyi h VAL 301 CO 0.00 0.25 -0.09 0.40 0.02 0.00 0.00 177.57 178.14 3fyi h ILE 302 N 0.66 1.36 -0.77 4.57 2.04 -0.88 -2.13 117.51 122.35 3fyi h ILE 302 Ca 0.17 -1.24 0.16 0.00 1.00 0.00 0.00 64.86 64.95 3fyi h ILE 302 Cb 0.19 1.96 -0.11 0.00 -0.74 0.00 0.00 36.82 38.13 3fyi h ILE 302 CO -0.01 0.35 0.25 0.00 0.00 0.00 0.00 178.15 178.74 3fyi h ALA 303 N 0.58 1.07 -0.13 1.87 0.00 -1.28 -0.49 119.26 120.88 3fyi h ALA 303 Ca 0.02 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3fyi h ALA 303 Cb 0.61 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3fyi h ALA 303 CO 0.02 -0.30 -0.02 1.15 0.00 0.00 0.00 179.25 180.11 3fyi h THR 304 N 0.35 1.27 0.00 0.00 2.02 -1.20 -1.90 112.91 113.45 3fyi h THR 304 Ca 0.44 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3fyi h THR 304 Cb 0.74 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 3fyi h THR 304 CO -0.48 0.27 -0.56 0.49 0.37 0.00 0.00 175.52 175.60 3fyi n PHE 305 N -4.74 0.03 1.30 3.16 3.72 -0.82 -2.44 117.46 117.68 3fyi n PHE 305 Ca -0.06 0.01 0.13 0.00 -0.05 0.00 0.00 57.45 57.49 3fyi n PHE 305 Cb 0.23 -0.26 0.43 0.00 -0.94 0.00 0.00 39.48 38.95 3fyi n PHE 305 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fyi n ALA 306 N -1.53 2.97 -3.96 4.37 0.00 -0.21 -1.21 120.51 120.95 3fyi n ALA 306 Ca 0.05 -0.39 -0.28 0.00 0.00 0.00 0.00 53.44 52.82 3fyi n ALA 306 Cb 0.34 -1.17 -0.00 0.00 0.00 0.00 0.00 19.45 18.62 3fyi n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3fyi n LYS 307 N -0.59 -4.02 -3.72 0.00 5.02 -1.02 -0.93 118.16 112.90 3fyi n LYS 307 Ca 0.13 0.48 -0.14 0.00 -2.02 0.00 0.00 58.31 56.76 3fyi n LYS 307 Cb 0.34 -4.96 -0.09 0.00 -0.02 0.00 0.00 35.03 30.29 3fyi n LYS 307 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3fyi s LYS 308 N -6.54 0.59 0.62 1.97 2.20 -0.74 -4.70 119.74 113.13 3fyi s LYS 308 Ca 0.29 0.43 -0.15 0.00 -0.36 0.00 0.00 55.97 56.18 3fyi s LYS 308 Cb -0.15 0.28 -0.02 0.00 -1.51 0.00 0.00 37.83 36.43 3fyi s LYS 308 CO 0.87 -0.10 1.08 -2.14 -0.36 0.00 0.00 175.35 174.70 3fyi s PRO 309 N -0.18 3.10 0.18 4.03 0.02 -1.26 -4.37 135.00 136.53 3fyi s PRO 309 Ca -0.03 1.29 -0.33 0.00 0.02 0.00 0.00 61.00 61.94 3fyi s PRO 309 Cb -0.03 -2.00 -0.13 0.00 0.02 0.00 0.00 34.50 32.36 3fyi s PRO 309 CO 0.02 -1.00 1.61 1.51 -0.33 0.00 0.00 177.00 178.81 3fyi n ILE 310 N -2.18 0.08 -2.20 2.83 0.13 -1.26 -4.83 119.36 111.92 3fyi n ILE 310 Ca 0.09 -0.02 -0.42 0.00 -1.10 0.00 0.00 62.75 61.30 3fyi n ILE 310 Cb 0.52 -1.67 -0.03 0.00 -0.84 0.00 0.00 39.64 37.63 3fyi n ILE 310 CO 0.00 0.00 0.00 0.12 2.80 0.00 0.00 176.55 179.47 3fyi s PHE 311 N 0.90 2.76 -0.78 9.51 2.19 -1.26 -4.07 117.98 127.24 3fyi s PHE 311 Ca 0.77 0.76 -0.03 0.00 0.33 0.00 0.00 56.93 58.76 3fyi s PHE 311 Cb -0.62 -3.69 -0.03 0.00 -1.31 0.00 0.00 43.02 37.37 3fyi s PHE 311 CO 0.37 -2.58 0.71 0.41 1.83 0.00 0.00 175.22 175.96 3fyi n GLY 312 N 3.70 -1.02 0.23 13.12 0.00 -1.26 -4.84 105.19 115.11 3fyi n GLY 312 Ca 0.14 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.59 3fyi n GLY 312 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fyi h TYR 313 N -0.25 0.11 0.05 1.61 5.03 -1.99 -2.27 116.97 119.25 3fyi h TYR 313 Ca -0.26 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.09 3fyi h TYR 313 Cb 1.13 0.04 0.00 0.00 1.55 0.00 0.00 36.73 39.46 3fyi h TYR 313 CO 0.22 -0.08 -0.02 -0.07 -1.32 0.00 0.00 178.16 176.89 3fyi h LEU 314 N 0.20 -0.06 -1.17 2.82 3.38 -1.96 -2.26 115.31 116.27 3fyi h LEU 314 Ca 0.31 -0.52 0.20 0.00 0.09 0.00 0.00 57.88 57.96 3fyi h LEU 314 Cb 0.47 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.14 3fyi h LEU 314 CO -0.44 0.51 0.62 -0.65 0.09 0.00 0.00 178.44 178.57 3fyi h PRO 315 N -0.65 0.62 -0.65 1.13 0.11 -1.94 0.29 132.00 130.91 3fyi h PRO 315 Ca -0.01 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.07 3fyi h PRO 315 Cb 0.57 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 3fyi h PRO 315 CO 0.01 0.41 0.43 0.52 -0.21 0.00 0.00 178.00 179.16 3fyi h MET 316 N 0.64 0.85 -0.35 1.05 2.86 -1.34 0.41 114.93 119.05 3fyi h MET 316 Ca 0.55 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 58.10 3fyi h MET 316 Cb 1.03 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 3fyi h MET 316 CO -0.32 0.57 0.05 0.28 1.06 0.00 0.00 176.91 178.54 3fyi h VAL 317 N 0.88 1.24 -0.35 -2.22 2.07 -0.54 -2.74 116.25 114.59 3fyi h VAL 317 Ca 0.24 -0.86 -0.12 0.00 0.82 0.00 0.00 66.70 66.78 3fyi h VAL 317 Cb -0.10 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3fyi h VAL 317 CO -0.05 0.29 -0.26 1.88 0.02 0.00 0.00 177.57 179.44 3fyi h TYR 318 N 0.41 0.83 -0.50 1.57 0.05 -0.20 -2.50 116.97 116.62 3fyi h TYR 318 Ca 0.10 -0.20 -0.04 0.00 0.05 0.00 0.00 58.73 58.65 3fyi h TYR 318 Cb 0.37 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.90 3fyi h TYR 318 CO 0.03 0.91 0.16 0.00 -1.05 0.00 0.00 178.16 178.20 3fyi h ALA 319 N 1.08 0.66 -0.77 3.88 0.00 -0.22 -0.03 119.26 123.86 3fyi h ALA 319 Ca 0.08 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3fyi h ALA 319 Cb 0.77 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3fyi h ALA 319 CO 0.06 0.31 0.51 0.52 0.00 0.00 0.00 179.25 180.65 3fyi h MET 320 N 0.68 1.02 -0.11 0.00 2.86 -1.38 0.97 114.93 118.97 3fyi h MET 320 Ca 0.16 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.64 3fyi h MET 320 Cb 0.27 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.70 3fyi h MET 320 CO -0.01 0.68 -0.32 0.28 1.06 0.00 0.00 176.91 178.60 3fyi h VAL 321 N 1.05 1.39 -0.15 -2.22 2.07 -1.18 -0.62 116.25 116.59 3fyi h VAL 321 Ca 0.28 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 3fyi h VAL 321 Cb -0.12 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3fyi h VAL 321 CO -0.06 0.48 0.05 0.00 0.02 0.00 0.00 177.57 178.06 3fyi h ALA 322 N 0.50 0.20 -0.91 1.67 0.00 -0.83 -0.89 119.26 118.99 3fyi h ALA 322 Ca -0.01 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.89 3fyi h ALA 322 Cb 0.93 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 3fyi h ALA 322 CO 0.07 -0.20 0.55 0.82 0.00 0.00 0.00 179.25 180.49 3fyi h ILE 323 N 0.08 0.92 -0.80 0.00 2.04 -0.87 0.36 117.51 119.23 3fyi h ILE 323 Ca 0.05 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 3fyi h ILE 323 Cb 0.20 -0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.18 3fyi h ILE 323 CO -0.00 0.16 0.49 1.23 0.00 0.00 0.00 178.15 180.03 3fyi h GLY 324 N 0.90 1.16 0.09 5.37 0.00 -0.67 -1.20 103.07 108.72 3fyi h GLY 324 Ca 0.44 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 3fyi h GLY 324 CO -0.25 0.46 -0.00 -2.08 0.00 0.00 0.00 176.54 174.67 3fyi h VAL 325 N 1.10 1.72 0.00 4.60 2.07 -0.50 -3.31 116.25 121.93 3fyi h VAL 325 Ca 0.29 -2.14 -0.00 0.00 0.82 0.00 0.00 66.70 65.67 3fyi h VAL 325 Cb -0.05 3.18 -0.00 0.00 -1.52 0.00 0.00 31.29 32.90 3fyi h VAL 325 CO -0.06 0.55 -0.02 -0.07 0.02 0.00 0.00 177.57 178.00 3fyi h LEU 326 N -0.91 0.00 0.00 2.57 3.38 -0.33 -2.42 115.31 117.60 3fyi h LEU 326 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fyi h LEU 326 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3fyi h LEU 326 CO 0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 3fyi n GLY 327 N -1.09 -0.73 0.65 0.83 0.00 -0.46 -2.11 105.19 102.28 3fyi n GLY 327 Ca -0.03 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.07 3fyi n GLY 327 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fyi n PHE 328 N -1.41 0.00 -1.32 1.61 3.72 -0.91 -3.77 117.46 115.38 3fyi n PHE 328 Ca 0.03 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.51 3fyi n PHE 328 Cb 0.09 -0.01 0.16 0.00 -0.94 0.00 0.00 39.48 38.79 3fyi n PHE 328 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3fyi n VAL 329 N 0.43 1.90 -0.31 -4.37 0.24 -0.90 -4.73 118.33 110.59 3fyi n VAL 329 Ca 0.11 -2.52 0.00 0.00 -2.04 0.00 0.00 64.34 59.90 3fyi n VAL 329 Cb 0.51 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 3fyi n VAL 329 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3fyi n VAL 330 N -1.24 0.20 0.00 3.34 0.24 -1.25 -4.84 118.33 114.79 3fyi n VAL 330 Ca 0.16 -0.45 0.13 0.00 -2.04 0.00 0.00 64.34 62.15 3fyi n VAL 330 Cb 0.67 1.12 0.57 0.00 -1.47 0.00 0.00 33.84 34.73 3fyi n VAL 330 CO 0.00 0.00 0.00 4.11 -2.14 0.00 0.00 176.83 178.80 3fyi h TRP 331 N 0.00 0.24 0.00 6.34 0.09 -1.85 -2.90 115.95 117.87 3fyi h TRP 331 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 58.89 58.99 3fyi h TRP 331 Cb 0.30 -0.08 0.00 0.00 0.08 0.00 0.00 29.16 29.46 3fyi h TRP 331 CO 0.00 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.65 3fyi n ALA 332 N -2.56 2.55 0.46 0.11 0.00 -1.26 -2.37 120.51 117.44 3fyi n ALA 332 Ca 0.07 -0.16 0.06 0.00 0.00 0.00 0.00 53.44 53.41 3fyi n ALA 332 Cb 0.38 -1.50 0.28 0.00 0.00 0.00 0.00 19.45 18.61 3fyi n ALA 332 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3fyi n HIS 333 N -1.20 0.00 1.75 0.00 1.44 -1.10 -0.24 115.22 115.88 3fyi n HIS 333 Ca 0.17 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 56.02 3fyi n HIS 333 Cb 0.20 -0.47 0.70 0.00 0.12 0.00 0.00 29.99 30.54 3fyi n HIS 333 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3fyi n HIS 334 N -1.47 0.02 -1.92 -1.40 8.25 -1.00 -4.23 115.22 113.47 3fyi n HIS 334 Ca 0.03 -0.01 0.04 0.00 -0.26 0.00 0.00 57.72 57.52 3fyi n HIS 334 Cb 0.14 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.30 3fyi n HIS 334 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3fyi n MET 335 N -0.44 0.41 0.18 -0.41 2.00 0.66 -4.88 117.12 114.65 3fyi n MET 335 Ca 0.20 -1.81 0.13 0.00 0.00 0.00 0.00 57.70 56.23 3fyi n MET 335 Cb 0.21 -0.67 0.69 0.00 0.00 0.00 0.00 33.22 33.45 3fyi n MET 335 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 175.97 177.85 3fyi h TYR 336 N 0.38 0.00 -0.33 2.03 0.05 -1.71 -1.86 116.97 115.53 3fyi h TYR 336 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.72 3fyi h TYR 336 Cb 1.42 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.16 3fyi h TYR 336 CO 0.18 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.54 3fyi n THR 337 N -4.37 0.58 1.13 -2.88 -2.24 -1.26 -4.50 114.28 100.74 3fyi n THR 337 Ca 0.01 -0.79 0.14 0.00 -2.27 0.00 0.00 64.05 61.14 3fyi n THR 337 Cb 0.26 0.87 0.62 0.00 -2.10 0.00 0.00 70.33 69.98 3fyi n THR 337 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fyi n ALA 338 N 1.06 2.51 0.00 6.98 0.00 -0.70 -4.87 120.51 125.50 3fyi n ALA 338 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3fyi n ALA 338 Cb 0.49 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3fyi n ALA 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fyi n GLY 339 N 1.44 1.78 3.76 0.00 0.00 -1.26 -5.01 105.19 105.89 3fyi n GLY 339 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 3fyi n GLY 339 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fyi s LEU 340 N 0.00 3.94 0.78 0.99 1.43 -1.26 -5.01 118.68 119.55 3fyi s LEU 340 Ca 0.00 2.46 -0.10 0.00 -1.03 0.00 0.00 54.13 55.46 3fyi s LEU 340 Cb 0.00 -4.27 0.06 0.00 0.03 0.00 0.00 46.19 42.01 3fyi s LEU 340 CO 0.00 -1.17 1.10 -0.94 0.23 0.00 0.00 176.35 175.56 3fyi s SER 341 N -1.24 4.37 0.35 2.29 1.04 -1.26 -4.81 113.70 114.45 3fyi s SER 341 Ca 0.67 1.85 0.07 0.00 0.48 0.00 0.00 55.95 59.02 3fyi s SER 341 Cb -0.33 -2.52 0.76 0.00 0.10 0.00 0.00 66.02 64.03 3fyi s SER 341 CO 0.39 -2.13 1.90 0.25 0.98 0.00 0.00 173.24 174.63 3fyi h LEU 342 N -1.19 0.68 0.02 2.42 5.85 -1.99 -0.85 115.31 120.26 3fyi h LEU 342 Ca -0.43 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 3fyi h LEU 342 Cb 1.23 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3fyi h LEU 342 CO 0.51 0.39 -0.01 0.74 -0.34 0.00 0.00 178.44 179.72 3fyi h THR 343 N 0.75 1.19 -0.43 1.05 2.02 -1.99 -1.11 112.91 114.38 3fyi h THR 343 Ca 0.40 -0.66 0.01 0.00 0.77 0.00 0.00 66.41 66.92 3fyi h THR 343 Cb 0.51 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 3fyi h THR 343 CO -0.16 0.17 0.28 1.56 0.37 0.00 0.00 175.52 177.73 3fyi h GLN 344 N -0.32 0.55 -0.84 6.66 4.20 -1.85 -1.05 115.11 122.46 3fyi h GLN 344 Ca -0.00 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.72 3fyi h GLN 344 Cb 0.30 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 27.90 3fyi h GLN 344 CO 0.01 0.36 0.52 1.96 -0.67 0.00 0.00 178.83 181.01 3fyi h GLN 345 N 0.56 0.95 -0.18 1.46 4.20 -1.15 -2.38 115.11 118.58 3fyi h GLN 345 Ca 0.16 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 3fyi h GLN 345 Cb -0.04 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 3fyi h GLN 345 CO -0.05 0.63 -0.00 0.77 -0.67 0.00 0.00 178.83 179.51 3fyi h SER 346 N 0.98 0.31 0.16 1.46 0.02 -0.69 -2.06 113.55 113.73 3fyi h SER 346 Ca 0.35 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3fyi h SER 346 Cb 0.11 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 3fyi h SER 346 CO -0.15 0.55 -0.12 0.22 -1.14 0.00 0.00 176.83 176.19 3fyi h TYR 347 N 0.06 -0.30 -0.02 3.45 3.20 -1.09 -2.21 116.97 120.06 3fyi h TYR 347 Ca 0.05 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 3fyi h TYR 347 Cb 0.39 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3fyi h TYR 347 CO 0.04 -0.18 -0.20 0.74 -1.64 0.00 0.00 178.16 176.92 3fyi h PHE 348 N -0.28 0.04 0.23 -3.82 0.04 -1.45 -0.44 116.94 111.25 3fyi h PHE 348 Ca -0.01 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 3fyi h PHE 348 Cb 0.25 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.39 3fyi h PHE 348 CO -0.10 0.23 -0.11 1.98 -0.60 0.00 0.00 178.31 179.71 3fyi h MET 349 N 0.03 -0.29 -0.05 1.51 4.05 -1.17 -0.74 114.93 118.27 3fyi h MET 349 Ca 0.01 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.48 3fyi h MET 349 Cb 0.37 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.20 3fyi h MET 349 CO 0.03 -0.17 -0.16 0.52 0.23 0.00 0.00 176.91 177.36 3fyi h MET 350 N -0.34 -0.23 -0.92 0.39 2.86 -0.64 -1.37 114.93 114.68 3fyi h MET 350 Ca -0.03 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3fyi h MET 350 Cb 0.26 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.92 3fyi h MET 350 CO 0.05 -0.15 0.61 0.00 1.06 0.00 0.00 176.91 178.48 3fyi h ALA 351 N 0.74 1.19 -0.69 6.32 0.00 -1.11 -0.83 119.26 124.87 3fyi h ALA 351 Ca 0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3fyi h ALA 351 Cb 0.33 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3fyi h ALA 351 CO -0.19 0.53 0.32 1.15 0.00 0.00 0.00 179.25 181.06 3fyi h THR 352 N 1.22 1.23 -0.57 0.00 2.02 -0.90 -2.56 112.91 113.35 3fyi h THR 352 Ca 0.35 -0.67 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 3fyi h THR 352 Cb -0.09 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 3fyi h THR 352 CO -0.09 0.28 0.18 0.24 0.37 0.00 0.00 175.52 176.49 3fyi h MET 353 N 0.96 0.85 0.50 6.66 2.86 -0.41 -2.94 114.93 123.41 3fyi h MET 353 Ca 0.24 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 3fyi h MET 353 Cb 0.14 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3fyi h MET 353 CO -0.03 0.74 -0.24 0.28 1.06 0.00 0.00 176.91 178.72 3fyi h VAL 354 N 0.83 0.50 0.00 -2.22 2.07 -0.80 -3.00 116.25 113.63 3fyi h VAL 354 Ca 0.19 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 3fyi h VAL 354 Cb 0.24 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3fyi h VAL 354 CO -0.01 0.02 -0.02 -0.29 0.02 0.00 0.00 177.57 177.29 3fyi h ILE 355 N -0.72 0.35 -0.16 4.57 2.10 -1.45 -1.77 117.51 120.44 3fyi h ILE 355 Ca -0.07 -0.11 -0.03 0.00 1.08 0.00 0.00 64.86 65.73 3fyi h ILE 355 Cb 0.54 1.08 -0.01 0.00 -1.09 0.00 0.00 36.82 37.34 3fyi h ILE 355 CO 0.11 0.02 -0.04 0.00 -1.08 0.00 0.00 178.15 177.16 3fyi h ALA 356 N 1.98 1.64 0.77 0.18 0.00 -1.36 -3.02 119.26 119.44 3fyi h ALA 356 Ca -0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3fyi h ALA 356 Cb 0.08 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3fyi h ALA 356 CO 0.00 0.27 -0.37 0.28 0.00 0.00 0.00 179.25 179.43 3fyi h VAL 357 N 0.23 0.00 -0.02 0.00 2.07 -1.39 0.16 116.25 117.30 3fyi h VAL 357 Ca 0.05 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3fyi h VAL 357 Cb 0.23 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3fyi h VAL 357 CO 0.01 0.00 -0.02 1.55 0.02 0.00 0.00 177.57 179.13 3fyi h PRO 358 N -1.22 0.03 0.45 1.57 0.13 -1.73 -1.23 132.00 130.01 3fyi h PRO 358 Ca -0.11 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.00 3fyi h PRO 358 Cb 0.79 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3fyi h PRO 358 CO 0.17 0.06 -0.22 1.15 -0.23 0.00 0.00 178.00 178.94 3fyi h THR 359 N 0.03 0.43 -0.62 1.56 2.02 -1.43 -3.21 112.91 111.69 3fyi h THR 359 Ca 0.01 -0.48 0.02 0.00 0.77 0.00 0.00 66.41 66.73 3fyi h THR 359 Cb 0.07 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 3fyi h THR 359 CO 0.00 0.07 0.39 1.23 0.37 0.00 0.00 175.52 177.58 3fyi h GLY 360 N -0.93 0.89 0.03 2.16 0.00 -0.56 -2.90 103.07 101.76 3fyi h GLY 360 Ca -0.06 -0.30 0.21 0.00 0.00 0.00 0.00 47.33 47.18 3fyi h GLY 360 CO 0.10 0.26 0.61 -2.22 0.00 0.00 0.00 176.54 175.30 3fyi h ILE 361 N 0.78 0.64 -0.61 2.60 5.03 -1.30 -2.12 117.51 122.53 3fyi h ILE 361 Ca 0.24 -0.23 0.17 0.00 -0.12 0.00 0.00 64.86 64.92 3fyi h ILE 361 Cb -0.01 -0.10 -0.03 0.00 -3.03 0.00 0.00 36.82 33.66 3fyi h ILE 361 CO -0.09 0.12 0.44 0.11 -0.68 0.00 0.00 178.15 178.05 3fyi h LYS 362 N 0.68 0.05 -0.51 2.37 1.57 -1.51 0.18 116.57 119.40 3fyi h LYS 362 Ca 0.60 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.42 3fyi h LYS 362 Cb 1.04 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.29 3fyi h LYS 362 CO -0.40 0.03 0.25 0.82 -0.57 0.00 0.00 179.45 179.58 3fyi h ILE 363 N 0.05 0.94 -0.52 1.86 1.08 -1.55 -2.14 117.51 117.23 3fyi h ILE 363 Ca 0.29 -0.17 -0.00 0.00 -0.39 0.00 0.00 64.86 64.59 3fyi h ILE 363 Cb 1.09 0.41 -0.03 0.00 -3.07 0.00 0.00 36.82 35.23 3fyi h ILE 363 CO -0.02 0.09 0.32 -0.26 -0.69 0.00 0.00 178.15 177.59 3fyi h PHE 364 N 0.49 0.68 -0.97 1.37 0.04 -0.79 -1.36 116.94 116.40 3fyi h PHE 364 Ca 0.23 0.00 0.02 0.00 2.80 0.00 0.00 57.97 61.02 3fyi h PHE 364 Cb 0.15 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 38.03 3fyi h PHE 364 CO -0.11 0.46 0.64 0.77 -0.60 0.00 0.00 178.31 179.47 3fyi h SER 365 N 0.69 1.08 -0.15 2.17 0.02 -1.31 0.16 113.55 116.22 3fyi h SER 365 Ca 0.19 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.98 3fyi h SER 365 Cb -0.02 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 3fyi h SER 365 CO -0.04 0.76 -0.36 -0.50 -1.14 0.00 0.00 176.83 175.56 3fyi h TRP 366 N 1.27 0.78 -0.45 3.45 6.55 -1.08 -0.92 115.95 125.54 3fyi h TRP 366 Ca 0.37 -0.21 -0.14 0.00 0.95 0.00 0.00 58.89 59.86 3fyi h TRP 366 Cb -0.07 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 28.04 3fyi h TRP 366 CO -0.00 0.92 -0.27 0.82 -1.05 0.00 0.00 178.44 178.87 3fyi h ILE 367 N 0.55 1.27 0.00 1.49 2.04 -0.69 -3.00 117.51 119.18 3fyi h ILE 367 Ca 0.06 -1.43 -0.06 0.00 1.00 0.00 0.00 64.86 64.42 3fyi h ILE 367 Cb 0.87 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 3fyi h ILE 367 CO 0.08 0.49 -0.28 0.00 0.00 0.00 0.00 178.15 178.43 3fyi h ALA 368 N 0.87 1.17 -0.43 1.87 0.00 -0.60 -1.44 119.26 120.70 3fyi h ALA 368 Ca 0.10 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3fyi h ALA 368 Cb 0.85 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3fyi h ALA 368 CO 0.07 0.35 -0.02 1.15 0.00 0.00 0.00 179.25 180.81 3fyi h THR 369 N 0.00 1.26 -0.08 0.00 2.02 -1.10 -3.11 112.91 111.90 3fyi h THR 369 Ca -0.00 -1.07 -0.10 0.00 0.77 0.00 0.00 66.41 66.01 3fyi h THR 369 Cb 0.66 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 3fyi h THR 369 CO 0.04 0.36 -0.39 0.24 0.37 0.00 0.00 175.52 176.14 3fyi h MET 370 N 0.61 0.17 -6.35 6.66 2.07 -1.33 -3.41 114.93 113.34 3fyi h MET 370 Ca 0.12 -0.08 -0.54 0.00 -2.07 0.00 0.00 59.70 57.13 3fyi h MET 370 Cb 0.52 -0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.25 3fyi h MET 370 CO 0.03 0.54 1.04 -0.46 1.07 0.00 0.00 176.91 179.13 3fyi s TRP 371 N -4.18 2.18 0.00 -0.22 -0.11 -0.57 -1.71 118.94 114.33 3fyi s TRP 371 Ca -0.04 0.25 0.00 0.00 1.22 0.00 0.00 56.10 57.53 3fyi s TRP 371 Cb 0.14 -3.94 0.00 0.00 -1.50 0.00 0.00 33.47 28.17 3fyi s TRP 371 CO 0.76 -3.86 0.00 0.41 -4.62 0.00 0.00 176.95 169.63 3fyi n GLY 372 N 4.06 1.23 0.00 5.86 0.00 -1.26 -4.96 105.19 110.12 3fyi n GLY 372 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3fyi n GLY 372 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fyi n GLY 373 N -2.00 -0.92 2.68 -0.02 0.00 -0.69 -5.05 105.19 99.19 3fyi n GLY 373 Ca 0.00 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.06 3fyi n GLY 373 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fyi s SER 374 N -1.00 3.47 -0.14 1.61 0.15 -0.11 -5.03 113.70 112.67 3fyi s SER 374 Ca 0.00 -2.83 -0.26 0.00 0.70 0.00 0.00 55.95 53.56 3fyi s SER 374 Cb 0.00 -1.01 -0.02 0.00 -1.71 0.00 0.00 66.02 63.29 3fyi s SER 374 CO 0.00 -0.23 0.87 -0.63 1.20 0.00 0.00 173.24 174.45 3fyi s ILE 375 N 0.11 4.87 -0.25 6.45 1.01 -1.26 -4.26 121.20 127.86 3fyi s ILE 375 Ca 0.21 1.75 -0.06 0.00 0.00 0.00 0.00 60.65 62.54 3fyi s ILE 375 Cb -0.18 -4.18 -0.01 0.00 0.01 0.00 0.00 42.46 38.10 3fyi s ILE 375 CO -0.05 0.04 0.04 -0.70 0.00 0.00 0.00 174.94 174.27 3fyi s GLU 376 N 1.95 3.41 -1.04 2.79 2.12 -0.35 -5.02 118.70 122.56 3fyi s GLU 376 Ca 0.41 -0.63 -0.04 0.00 0.36 0.00 0.00 54.97 55.07 3fyi s GLU 376 Cb -0.17 -3.23 0.13 0.00 0.26 0.00 0.00 34.13 31.12 3fyi s GLU 376 CO 0.15 -0.26 2.43 1.28 -0.54 0.00 0.00 175.26 178.32 3fyi n LEU 377 N 4.87 7.53 -4.85 2.70 4.77 -1.26 -4.79 117.00 125.96 3fyi n LEU 377 Ca -0.16 -4.71 -0.31 0.00 -0.03 0.00 0.00 56.01 50.80 3fyi n LEU 377 Cb 0.50 -1.30 0.02 0.00 -2.33 0.00 0.00 43.42 40.32 3fyi n LEU 377 CO 0.30 1.96 0.72 -0.54 -1.33 0.00 0.00 177.39 178.50 3fyi s LYS 378 N -1.73 3.36 0.26 3.23 -0.14 -1.26 -4.78 119.74 118.68 3fyi s LYS 378 Ca 0.54 0.81 -0.09 0.00 -1.36 0.00 0.00 55.97 55.86 3fyi s LYS 378 Cb 0.25 -2.05 0.40 0.00 -1.68 0.00 0.00 37.83 34.75 3fyi s LYS 378 CO -0.15 -0.76 1.49 2.41 -0.76 0.00 0.00 175.35 177.58 3fyi n THR 379 N -2.88 -0.42 0.08 2.17 -1.04 -1.26 -0.54 114.28 110.39 3fyi n THR 379 Ca 0.07 2.19 0.03 0.00 -2.04 0.00 0.00 64.05 64.30 3fyi n THR 379 Cb 0.54 -3.01 0.42 0.00 -1.82 0.00 0.00 70.33 66.46 3fyi n THR 379 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3fyi h PRO 380 N 0.00 0.35 -0.33 -2.82 0.11 -1.87 -1.83 132.00 125.61 3fyi h PRO 380 Ca 0.43 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 66.34 3fyi h PRO 380 Cb 0.67 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 3fyi h PRO 380 CO -0.98 0.35 -0.39 1.98 -0.21 0.00 0.00 178.00 178.75 3fyi h MET 381 N 0.34 0.80 -0.23 1.05 4.05 -1.12 -2.59 114.93 117.22 3fyi h MET 381 Ca 0.08 -0.41 0.04 0.00 -0.28 0.00 0.00 59.70 59.13 3fyi h MET 381 Cb 0.18 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.96 3fyi h MET 381 CO 0.00 1.04 -0.01 -0.07 0.23 0.00 0.00 176.91 178.11 3fyi h LEU 382 N 0.65 -0.10 -0.87 3.39 3.38 -0.69 -0.96 115.31 120.11 3fyi h LEU 382 Ca 0.05 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.15 3fyi h LEU 382 Cb 0.95 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.73 3fyi h LEU 382 CO 0.09 -0.02 0.53 -0.50 0.09 0.00 0.00 178.44 178.63 3fyi h TRP 383 N 0.06 0.98 -0.25 1.13 4.06 -1.35 0.04 115.95 120.63 3fyi h TRP 383 Ca 0.11 0.03 -0.14 0.00 2.06 0.00 0.00 58.89 60.95 3fyi h TRP 383 Cb 0.14 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 27.98 3fyi h TRP 383 CO -0.19 0.47 -0.42 0.00 -3.56 0.00 0.00 178.44 174.74 3fyi h ALA 384 N 1.43 0.81 -0.21 1.49 0.00 -1.08 -0.61 119.26 121.09 3fyi h ALA 384 Ca 0.39 -0.45 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 3fyi h ALA 384 Cb 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3fyi h ALA 384 CO -0.20 0.65 -0.58 -0.07 0.00 0.00 0.00 179.25 179.05 3fyi h LEU 385 N 0.49 0.75 -0.58 0.00 3.38 -0.79 -2.38 115.31 116.17 3fyi h LEU 385 Ca 0.04 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.60 3fyi h LEU 385 Cb 0.94 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 3fyi h LEU 385 CO 0.08 1.17 0.37 1.23 0.09 0.00 0.00 178.44 181.38 3fyi h GLY 386 N 0.92 0.81 0.34 0.83 0.00 -0.88 -2.69 103.07 102.40 3fyi h GLY 386 Ca 0.00 -0.29 0.08 0.00 0.00 0.00 0.00 47.33 47.12 3fyi h GLY 386 CO 0.12 0.28 0.02 -2.75 0.00 0.00 0.00 176.54 174.20 3fyi h PHE 387 N 0.76 0.01 -0.45 5.60 3.04 -0.97 -0.52 116.94 124.41 3fyi h PHE 387 Ca 0.22 0.03 0.06 0.00 3.98 0.00 0.00 57.97 62.25 3fyi h PHE 387 Cb -0.06 0.06 -0.05 0.00 2.56 0.00 0.00 35.95 38.46 3fyi h PHE 387 CO -0.04 -0.07 0.16 -0.07 -2.02 0.00 0.00 178.31 176.27 3fyi h LEU 388 N 0.13 0.17 0.57 0.59 3.38 -1.16 0.14 115.31 119.13 3fyi h LEU 388 Ca 0.21 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 3fyi h LEU 388 Cb 0.30 0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.09 3fyi h LEU 388 CO -0.33 0.13 -0.27 0.15 0.09 0.00 0.00 178.44 178.20 3fyi h PHE 389 N 0.33 -0.71 -0.75 1.13 3.57 -1.16 -2.69 116.94 116.66 3fyi h PHE 389 Ca 0.21 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3fyi h PHE 389 Cb 0.21 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 3fyi h PHE 389 CO -0.15 -0.39 0.41 -0.07 -2.23 0.00 0.00 178.31 175.88 3fyi h LEU 390 N -0.90 0.94 -1.20 0.59 3.38 -0.93 -0.92 115.31 116.26 3fyi h LEU 390 Ca -0.08 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 3fyi h LEU 390 Cb 0.63 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3fyi h LEU 390 CO 0.13 0.76 0.05 0.15 0.09 0.00 0.00 178.44 179.62 3fyi h PHE 391 N 1.04 0.62 0.07 1.13 3.57 -0.79 0.10 116.94 122.68 3fyi h PHE 391 Ca 0.26 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 3fyi h PHE 391 Cb 0.03 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.59 3fyi h PHE 391 CO -0.00 0.56 -0.04 1.15 -2.23 0.00 0.00 178.31 177.76 3fyi h THR 392 N 0.58 1.16 -0.45 4.41 2.02 -1.05 0.13 112.91 119.72 3fyi h THR 392 Ca 0.13 -0.89 0.05 0.00 0.77 0.00 0.00 66.41 66.47 3fyi h THR 392 Cb 0.29 1.74 -0.05 0.00 -1.74 0.00 0.00 68.15 68.39 3fyi h THR 392 CO 0.00 0.22 0.18 0.58 0.37 0.00 0.00 175.52 176.87 3fyi h VAL 393 N -0.50 0.89 -0.54 3.16 2.07 -0.99 -1.28 116.25 119.06 3fyi h VAL 393 Ca -0.01 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 3fyi h VAL 393 Cb 0.43 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3fyi h VAL 393 CO 0.02 0.07 0.23 1.23 0.02 0.00 0.00 177.57 179.14 3fyi h GLY 394 N 0.37 0.85 1.02 2.17 0.00 -0.84 -3.21 103.07 103.43 3fyi h GLY 394 Ca 0.21 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 3fyi h GLY 394 CO -0.19 0.42 0.25 -1.33 0.00 0.00 0.00 176.54 175.69 3fyi h GLY 395 N 0.72 1.10 1.85 4.60 0.00 -0.20 -2.78 103.07 108.36 3fyi h GLY 395 Ca 0.18 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 46.78 3fyi h GLY 395 CO -0.02 0.58 -0.48 -0.39 0.00 0.00 0.00 176.54 176.23 3fyi h VAL 396 N 0.96 1.34 0.00 4.60 -1.51 -1.28 -1.91 116.25 118.46 3fyi h VAL 396 Ca 0.22 -1.68 -0.11 0.00 -1.23 0.00 0.00 66.70 63.90 3fyi h VAL 396 Cb 0.24 1.83 -0.02 0.00 -2.13 0.00 0.00 31.29 31.22 3fyi h VAL 396 CO -0.01 0.49 -0.53 0.71 -1.23 0.00 0.00 177.57 177.00 3fyi h THR 397 N 0.13 1.13 -0.73 7.19 1.35 -1.55 -2.13 112.91 118.30 3fyi h THR 397 Ca 0.01 -1.99 0.06 0.00 -0.55 0.00 0.00 66.41 63.93 3fyi h THR 397 Cb 0.90 2.16 -0.06 0.00 -1.73 0.00 0.00 68.15 69.42 3fyi h THR 397 CO 0.07 0.52 0.43 1.23 -0.25 0.00 0.00 175.52 177.52 3fyi h GLY 398 N 2.30 1.08 0.81 5.82 0.00 -1.12 -1.58 103.07 110.39 3fyi h GLY 398 Ca -0.01 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.05 3fyi h GLY 398 CO 0.07 0.20 0.17 -2.22 0.00 0.00 0.00 176.54 174.76 3fyi h ILE 399 N 0.79 0.97 -0.39 2.60 1.08 -0.72 -1.89 117.51 119.95 3fyi h ILE 399 Ca 0.32 -0.12 0.08 0.00 -0.39 0.00 0.00 64.86 64.75 3fyi h ILE 399 Cb 0.16 0.59 -0.07 0.00 -3.07 0.00 0.00 36.82 34.43 3fyi h ILE 399 CO -0.17 0.06 -0.04 0.58 -0.69 0.00 0.00 178.15 177.89 3fyi h VAL 400 N 0.35 0.66 0.00 1.67 2.07 -1.15 -2.83 116.25 117.02 3fyi h VAL 400 Ca 0.15 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 3fyi h VAL 400 Cb 0.07 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3fyi h VAL 400 CO -0.11 0.01 -0.12 -0.07 0.02 0.00 0.00 177.57 177.30 3fyi h LEU 401 N 0.06 0.00 -1.14 2.57 3.38 -0.89 -2.90 115.31 116.39 3fyi h LEU 401 Ca 0.19 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 3fyi h LEU 401 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3fyi h LEU 401 CO -0.36 0.12 -0.37 0.77 0.09 0.00 0.00 178.44 178.70 3fyi h SER 402 N 0.00 0.00 -2.07 -0.43 4.64 -1.09 -3.40 113.55 111.20 3fyi h SER 402 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.80 3fyi h SER 402 Cb 0.51 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.54 3fyi h SER 402 CO 0.02 0.37 1.20 -1.10 -0.87 0.00 0.00 176.83 176.44 3fyi s GLN 403 N -3.84 2.93 0.49 4.77 -1.52 -1.10 -4.68 119.66 116.71 3fyi s GLN 403 Ca -0.01 0.11 0.24 0.00 -1.95 0.00 0.00 55.36 53.74 3fyi s GLN 403 Cb 0.12 -4.36 1.30 0.00 -0.22 0.00 0.00 33.01 29.86 3fyi s GLN 403 CO 0.69 -2.47 1.93 0.00 -0.25 0.00 0.00 175.29 175.20 3fyi h ALA 404 N 12.31 2.47 0.00 6.09 0.00 -1.87 0.29 119.26 138.54 3fyi h ALA 404 Ca -0.24 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3fyi h ALA 404 Cb 1.10 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3fyi h ALA 404 CO 1.26 -0.67 -0.34 0.66 0.00 0.00 0.00 179.25 180.15 3fyi h SER 405 N 0.14 0.00 0.35 0.00 4.64 -1.93 -2.23 113.55 114.53 3fyi h SER 405 Ca 0.35 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.35 3fyi h SER 405 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 3fyi h SER 405 CO -0.05 0.34 -1.72 0.58 -0.87 0.00 0.00 176.83 175.11 3fyi h VAL 406 N 0.00 0.92 -0.06 0.95 2.07 -1.30 -3.32 116.25 115.51 3fyi h VAL 406 Ca -0.00 -2.62 0.02 0.00 0.82 0.00 0.00 66.70 64.91 3fyi h VAL 406 Cb 0.76 2.61 -0.00 0.00 -1.52 0.00 0.00 31.29 33.14 3fyi h VAL 406 CO 0.04 0.78 0.07 -0.78 0.02 0.00 0.00 177.57 177.70 3fyi h ASP 407 N 0.06 0.00 -0.70 0.57 3.58 -1.12 -1.75 116.42 117.06 3fyi h ASP 407 Ca -0.31 0.00 0.13 0.00 0.42 0.00 0.00 57.03 57.27 3fyi h ASP 407 Cb 2.03 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.98 3fyi h ASP 407 CO 0.12 0.00 0.22 -0.09 -2.88 0.00 0.00 179.24 176.62 3fyi h ARG 408 N 0.00 0.34 -0.02 0.28 9.65 -1.50 0.58 114.38 123.71 3fyi h ARG 408 Ca 0.03 -0.02 -0.15 0.00 -1.10 0.00 0.00 59.98 58.74 3fyi h ARG 408 Cb 0.16 -0.08 0.01 0.00 -1.39 0.00 0.00 29.97 28.67 3fyi h ARG 408 CO -0.00 0.23 -0.57 -0.92 2.80 0.00 0.00 179.97 181.51 3fyi h TYR 409 N 0.36 0.60 0.00 2.20 5.03 -1.54 -3.37 116.97 120.25 3fyi h TYR 409 Ca 0.38 -0.32 -0.07 0.00 2.58 0.00 0.00 58.73 61.30 3fyi h TYR 409 Cb 0.58 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.77 3fyi h TYR 409 CO -0.21 1.13 -0.51 1.88 -1.32 0.00 0.00 178.16 179.12 3fyi h TYR 410 N -0.09 0.00 -3.02 -3.82 0.05 -1.05 -3.46 116.97 105.58 3fyi h TYR 410 Ca -0.07 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.17 3fyi h TYR 410 Cb 1.27 0.00 0.08 0.00 1.01 0.00 0.00 36.73 39.09 3fyi h TYR 410 CO 0.14 0.33 0.86 1.58 -1.05 0.00 0.00 178.16 180.02 3fyi n HIS 411 N -3.11 2.70 -2.65 4.88 -0.00 0.20 -1.91 115.22 115.34 3fyi n HIS 411 Ca 0.01 0.24 -0.19 0.00 0.46 0.00 0.00 57.72 58.24 3fyi n HIS 411 Cb 0.68 -2.59 0.01 0.00 -0.12 0.00 0.00 29.99 27.97 3fyi n HIS 411 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 3fyi n ASP 412 N 2.55 -5.46 -4.54 0.26 8.00 -1.26 -5.00 116.55 111.10 3fyi n ASP 412 Ca 0.11 -0.14 -0.28 0.00 0.71 0.00 0.00 54.79 55.18 3fyi n ASP 412 Cb 0.35 -4.40 -0.09 0.00 -0.02 0.00 0.00 41.12 36.96 3fyi n ASP 412 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3fyi s THR 413 N -3.01 1.26 -0.62 -3.53 -4.23 -0.80 -1.32 115.64 103.38 3fyi s THR 413 Ca 0.14 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.85 3fyi s THR 413 Cb -0.06 -2.52 0.20 0.00 1.34 0.00 0.00 72.50 71.47 3fyi s THR 413 CO 0.17 0.00 1.62 -1.22 -0.54 0.00 0.00 174.62 174.65 3fyi n TYR 414 N -1.02 0.55 -0.32 3.99 4.02 -0.64 -2.35 117.16 121.39 3fyi n TYR 414 Ca -0.10 0.22 -0.03 0.00 -0.01 0.00 0.00 57.90 57.99 3fyi n TYR 414 Cb 0.67 -0.86 0.12 0.00 -0.02 0.00 0.00 39.34 39.25 3fyi n TYR 414 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 3fyi h TYR 415 N 0.00 1.19 -0.41 -0.72 5.03 -1.83 0.36 116.97 120.59 3fyi h TYR 415 Ca 0.00 -0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.20 3fyi h TYR 415 Cb 0.30 -0.39 -0.01 0.00 1.55 0.00 0.00 36.73 38.18 3fyi h TYR 415 CO 0.00 0.80 -0.14 0.28 -1.32 0.00 0.00 178.16 177.77 3fyi h VAL 416 N 1.23 1.28 -0.53 1.81 2.07 -1.68 -1.70 116.25 118.74 3fyi h VAL 416 Ca 0.32 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.61 3fyi h VAL 416 Cb -0.03 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3fyi h VAL 416 CO -0.06 0.43 0.30 0.58 0.02 0.00 0.00 177.57 178.84 3fyi h VAL 417 N 0.65 1.02 -0.14 2.57 2.07 -1.53 -1.84 116.25 119.05 3fyi h VAL 417 Ca 0.10 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3fyi h VAL 417 Cb 0.69 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3fyi h VAL 417 CO 0.05 0.11 0.09 0.00 0.02 0.00 0.00 177.57 177.84 3fyi h ALA 418 N 1.25 0.18 -0.24 1.67 0.00 -0.82 -1.76 119.26 119.53 3fyi h ALA 418 Ca 0.22 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3fyi h ALA 418 Cb 0.06 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 3fyi h ALA 418 CO -0.11 -0.33 -0.26 1.25 0.00 0.00 0.00 179.25 179.80 3fyi h HIS 419 N 0.18 -0.69 0.00 0.00 6.17 -0.93 -1.76 115.15 118.12 3fyi h HIS 419 Ca 0.05 0.04 -0.14 0.00 0.71 0.00 0.00 60.37 61.03 3fyi h HIS 419 Cb -0.01 0.34 -0.02 0.00 2.52 0.00 0.00 27.41 30.24 3fyi h HIS 419 CO -0.06 -0.33 -0.80 0.27 0.71 0.00 0.00 177.93 177.71 3fyi h PHE 420 N -0.27 0.00 -0.38 5.26 -5.15 -1.32 -1.36 116.94 113.72 3fyi h PHE 420 Ca 0.14 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.82 3fyi h PHE 420 Cb 0.48 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.63 3fyi h PHE 420 CO -0.41 0.62 -0.10 0.45 -2.00 0.00 0.00 178.31 176.87 3fyi h HIS 421 N 0.00 0.72 0.25 6.09 3.86 -1.23 -0.45 115.15 124.39 3fyi h HIS 421 Ca -0.04 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.04 3fyi h HIS 421 Cb 1.51 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.79 3fyi h HIS 421 CO 0.00 0.74 -0.12 1.88 0.86 0.00 0.00 177.93 181.29 3fyi h TYR 422 N 0.61 -0.31 -0.00 2.45 -1.99 -1.21 0.27 116.97 116.78 3fyi h TYR 422 Ca 0.11 -0.01 -0.19 0.00 2.00 0.00 0.00 58.73 60.64 3fyi h TYR 422 Cb 0.53 0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.35 3fyi h TYR 422 CO 0.02 0.05 -0.84 -0.24 -0.00 0.00 0.00 178.16 177.15 3fyi h VAL 423 N -0.88 1.51 0.00 -2.88 3.04 -1.31 -3.16 116.25 112.56 3fyi h VAL 423 Ca -0.03 -2.61 -0.04 0.00 -1.01 0.00 0.00 66.70 63.00 3fyi h VAL 423 Cb 0.51 2.44 -0.01 0.00 -2.01 0.00 0.00 31.29 32.23 3fyi h VAL 423 CO 0.06 0.76 -0.67 0.80 -1.01 0.00 0.00 177.57 177.51 3fyi n MET 424 N -3.65 0.13 0.48 4.17 0.00 -0.34 -4.13 117.12 113.78 3fyi n MET 424 Ca -0.03 0.05 -0.20 0.00 -0.00 0.00 0.00 57.70 57.53 3fyi n MET 424 Cb 0.79 -0.72 -0.10 0.00 0.00 0.00 0.00 33.22 33.20 3fyi n MET 424 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 3fyi h SER 425 N -0.23 -1.03 0.25 6.12 0.02 -1.14 0.83 113.55 118.37 3fyi h SER 425 Ca -0.06 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.81 3fyi h SER 425 Cb 0.58 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 3fyi h SER 425 CO -0.04 -0.73 -0.43 -0.07 -1.14 0.00 0.00 176.83 174.42 3fyi h LEU 426 N -1.24 0.24 -0.22 5.07 3.38 -0.61 -1.70 115.31 120.24 3fyi h LEU 426 Ca -0.12 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.77 3fyi h LEU 426 Cb 0.94 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 3fyi h LEU 426 CO 0.20 0.65 0.03 1.23 0.09 0.00 0.00 178.44 180.65 3fyi h GLY 427 N 1.25 0.23 0.88 0.83 0.00 -1.50 0.13 103.07 104.89 3fyi h GLY 427 Ca 0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 3fyi h GLY 427 CO 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 176.54 176.56 3fyi h ALA 428 N 1.16 0.39 -0.41 3.60 0.00 -0.73 -1.65 119.26 121.63 3fyi h ALA 428 Ca 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3fyi h ALA 428 Cb 0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3fyi h ALA 428 CO -0.14 0.17 0.20 0.28 0.00 0.00 0.00 179.25 179.76 3fyi h VAL 429 N 0.30 1.17 -0.43 0.00 2.07 -1.20 0.37 116.25 118.54 3fyi h VAL 429 Ca 0.08 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.03 3fyi h VAL 429 Cb 0.49 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3fyi h VAL 429 CO 0.02 0.18 -0.08 -0.26 0.02 0.00 0.00 177.57 177.46 3fyi h PHE 430 N 0.52 0.81 -0.14 1.57 -1.00 -0.78 -0.21 116.94 117.71 3fyi h PHE 430 Ca 0.14 -0.13 0.01 0.00 2.81 0.00 0.00 57.97 60.80 3fyi h PHE 430 Cb 0.11 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.44 3fyi h PHE 430 CO -0.01 0.79 0.04 0.78 -1.61 0.00 0.00 178.31 178.30 3fyi h GLY 431 N 0.97 0.16 0.90 -1.45 0.00 -1.03 -0.82 103.07 101.80 3fyi h GLY 431 Ca 0.12 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.44 3fyi h GLY 431 CO 0.03 0.02 0.02 -2.22 0.00 0.00 0.00 176.54 174.39 3fyi h ILE 432 N 0.11 0.96 -0.68 2.60 2.04 -0.60 -0.99 117.51 120.95 3fyi h ILE 432 Ca 0.06 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 3fyi h ILE 432 Cb 0.04 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3fyi h ILE 432 CO -0.07 0.01 0.31 -0.26 0.00 0.00 0.00 178.15 178.15 3fyi h PHE 433 N 0.07 0.97 0.24 1.37 0.04 -1.02 0.12 116.94 118.73 3fyi h PHE 433 Ca 0.05 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3fyi h PHE 433 Cb 0.03 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.87 3fyi h PHE 433 CO -0.11 0.72 -0.18 0.00 -0.60 0.00 0.00 178.31 178.14 3fyi h ALA 434 N 1.37 -0.40 -0.15 2.45 0.00 -0.88 -1.91 119.26 119.74 3fyi h ALA 434 Ca 0.23 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.12 3fyi h ALA 434 Cb 0.13 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 3fyi h ALA 434 CO -0.03 -0.74 -0.39 0.78 0.00 0.00 0.00 179.25 178.87 3fyi h GLY 435 N -0.42 -0.61 0.44 0.00 0.00 -0.77 -0.04 103.07 101.67 3fyi h GLY 435 Ca -0.02 0.48 0.09 0.00 0.00 0.00 0.00 47.33 47.88 3fyi h GLY 435 CO -0.00 -0.22 0.25 -2.22 0.00 0.00 0.00 176.54 174.34 3fyi h ILE 436 N -0.45 0.80 -0.01 2.60 2.04 -0.66 0.10 117.51 121.93 3fyi h ILE 436 Ca 0.09 -0.15 -0.19 0.00 1.00 0.00 0.00 64.86 65.61 3fyi h ILE 436 Cb 0.60 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3fyi h ILE 436 CO -0.40 0.08 -0.82 1.88 0.00 0.00 0.00 178.15 178.89 3fyi h TYR 437 N 0.45 0.27 -0.23 1.37 0.05 -1.20 -1.01 116.97 116.67 3fyi h TYR 437 Ca 0.30 -0.14 -0.07 0.00 0.05 0.00 0.00 58.73 58.87 3fyi h TYR 437 Cb 0.35 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 3fyi h TYR 437 CO -0.15 0.92 -0.15 0.35 -1.05 0.00 0.00 178.16 178.08 3fyi h PHE 438 N 0.11 0.42 0.00 4.88 3.57 -0.33 -3.38 116.94 122.21 3fyi h PHE 438 Ca -0.03 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.40 3fyi h PHE 438 Cb 1.42 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.05 3fyi h PHE 438 CO 0.03 0.53 0.00 0.91 -2.23 0.00 0.00 178.31 177.55 3fyi n TRP 439 N -4.21 0.00 0.14 0.41 8.01 -0.04 -4.73 117.44 117.02 3fyi n TRP 439 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 3fyi n TRP 439 Cb 0.32 0.00 0.30 0.00 -2.01 0.00 0.00 31.31 29.92 3fyi n TRP 439 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.69 177.65 3fyi h ILE 440 N 0.24 1.28 -0.09 -0.99 2.10 -1.36 -0.59 117.51 118.10 3fyi h ILE 440 Ca 0.00 -1.35 -0.01 0.00 1.08 0.00 0.00 64.86 64.58 3fyi h ILE 440 Cb 0.12 1.64 -0.00 0.00 -1.09 0.00 0.00 36.82 37.49 3fyi h ILE 440 CO 0.00 0.40 0.01 1.23 -1.08 0.00 0.00 178.15 178.71 3fyi h GLY 441 N 1.14 0.16 1.42 8.18 0.00 -1.83 -1.24 103.07 110.90 3fyi h GLY 441 Ca 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 3fyi h GLY 441 CO 0.05 0.10 0.21 1.70 0.00 0.00 0.00 176.54 178.60 3fyi h LYS 442 N -0.11 0.75 0.13 4.80 1.63 -1.79 0.21 116.57 122.20 3fyi h LYS 442 Ca 0.03 -0.11 -0.31 0.00 -0.85 0.00 0.00 60.65 59.41 3fyi h LYS 442 Cb 0.30 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.80 3fyi h LYS 442 CO 0.00 0.62 -1.51 0.52 -3.45 0.00 0.00 179.45 175.63 3fyi h MET 443 N 0.74 0.28 0.00 1.90 2.86 -1.10 -3.34 114.93 116.27 3fyi h MET 443 Ca 0.18 -0.47 -0.15 0.00 -2.06 0.00 0.00 59.70 57.19 3fyi h MET 443 Cb 0.15 0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 3fyi h MET 443 CO -0.02 1.16 -1.77 -1.13 1.06 0.00 0.00 176.91 176.21 3fyi n SER 444 N -3.48 1.95 0.00 1.22 3.41 -0.47 -4.64 113.62 111.61 3fyi n SER 444 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 3fyi n SER 444 Cb 1.05 1.06 0.00 0.00 -0.26 0.00 0.00 64.21 66.05 3fyi n SER 444 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fyi n GLY 445 N 2.08 0.73 3.41 5.00 0.00 0.75 -4.54 105.19 112.63 3fyi n GLY 445 Ca -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 3fyi n GLY 445 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fyi s ARG 446 N -0.28 1.51 0.04 1.61 0.52 -1.25 0.21 118.95 121.30 3fyi s ARG 446 Ca 0.00 -1.71 0.08 0.00 -0.52 0.00 0.00 55.73 53.58 3fyi s ARG 446 Cb 0.00 -1.33 -0.03 0.00 0.52 0.00 0.00 34.95 34.11 3fyi s ARG 446 CO 0.00 0.18 -0.24 -1.14 0.02 0.00 0.00 175.30 174.12 3fyi s GLN 447 N -3.63 1.65 0.33 3.54 2.00 -0.02 -3.10 119.66 120.43 3fyi s GLN 447 Ca 0.27 -1.03 -0.26 0.00 -2.00 0.00 0.00 55.36 52.35 3fyi s GLN 447 Cb -0.00 -1.78 -0.10 0.00 0.80 0.00 0.00 33.01 31.93 3fyi s GLN 447 CO 0.11 0.46 0.97 1.52 -0.50 0.00 0.00 175.29 177.85 3fyi s TYR 448 N -0.78 3.62 0.05 1.67 1.13 -1.26 -3.98 117.35 117.79 3fyi s TYR 448 Ca 0.10 1.76 -0.30 0.00 -1.41 0.00 0.00 57.07 57.21 3fyi s TYR 448 Cb -0.09 -2.97 -0.08 0.00 -1.10 0.00 0.00 41.96 37.72 3fyi s TYR 448 CO 0.02 0.04 1.66 -1.25 -2.51 0.00 0.00 175.55 173.51 3fyi s PRO 449 N -2.11 4.19 0.14 -3.49 0.04 -1.26 -4.92 135.00 127.60 3fyi s PRO 449 Ca 0.51 2.31 -0.14 0.00 0.04 0.00 0.00 61.00 63.72 3fyi s PRO 449 Cb -0.20 -3.69 0.02 0.00 0.04 0.00 0.00 34.50 30.67 3fyi s PRO 449 CO 0.25 -0.76 1.67 1.49 0.04 0.00 0.00 177.00 179.69 3fyi h GLU 450 N 8.62 0.73 -0.77 4.56 4.57 -2.00 -2.32 114.58 127.98 3fyi h GLU 450 Ca -0.42 -0.16 0.20 0.00 -1.18 0.00 0.00 59.36 57.80 3fyi h GLU 450 Cb 1.20 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.64 3fyi h GLU 450 CO 0.93 0.70 0.54 0.11 -1.18 0.00 0.00 179.01 180.11 3fyi h TRP 451 N 0.63 0.18 0.00 0.92 5.08 -2.00 -2.30 115.95 118.45 3fyi h TRP 451 Ca 0.15 0.01 -0.24 0.00 1.08 0.00 0.00 58.89 59.89 3fyi h TRP 451 Cb 0.27 -0.06 -0.04 0.00 -3.00 0.00 0.00 29.16 26.34 3fyi h TRP 451 CO 0.01 0.05 -1.43 0.00 -1.28 0.00 0.00 178.44 175.80 3fyi h ALA 452 N 1.63 0.66 -0.18 0.11 0.00 -1.82 -2.38 119.26 117.28 3fyi h ALA 452 Ca 0.38 -1.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.02 3fyi h ALA 452 Cb 1.27 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 3fyi h ALA 452 CO -0.06 1.32 -0.33 0.78 0.00 0.00 0.00 179.25 180.96 3fyi h GLY 453 N 3.46 0.40 0.80 0.00 0.00 -1.14 -1.90 103.07 104.68 3fyi h GLY 453 Ca -0.19 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 46.68 3fyi h GLY 453 CO 0.08 0.32 -0.39 0.50 0.00 0.00 0.00 176.54 177.05 3fyi h LYS 454 N 0.32 0.45 -0.41 4.80 1.57 -1.44 -2.42 116.57 119.43 3fyi h LYS 454 Ca 0.04 -0.34 -0.04 0.00 -1.87 0.00 0.00 60.65 58.44 3fyi h LYS 454 Cb 0.73 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 3fyi h LYS 454 CO 0.06 0.97 0.10 1.25 -0.57 0.00 0.00 179.45 181.26 3fyi h LEU 455 N 0.02 0.63 -0.24 2.94 5.85 -1.43 -1.34 115.31 121.74 3fyi h LEU 455 Ca -0.02 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.52 3fyi h LEU 455 Cb 1.02 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.83 3fyi h LEU 455 CO 0.08 0.70 -0.12 -0.74 -0.34 0.00 0.00 178.44 178.01 3fyi h HIS 456 N 0.53 -0.30 -0.33 1.25 2.76 -1.42 -0.36 115.15 117.28 3fyi h HIS 456 Ca 0.13 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.39 3fyi h HIS 456 Cb 0.31 0.17 -0.06 0.00 1.55 0.00 0.00 27.41 29.38 3fyi h HIS 456 CO 0.02 -0.19 -0.06 0.35 -1.30 0.00 0.00 177.93 176.75 3fyi h PHE 457 N -0.10 -0.13 -0.25 5.26 3.57 -1.16 -0.74 116.94 123.40 3fyi h PHE 457 Ca 0.13 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.51 3fyi h PHE 457 Cb 0.29 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3fyi h PHE 457 CO -0.30 -0.12 -0.45 -1.49 -2.23 0.00 0.00 178.31 173.73 3fyi h TRP 458 N 0.03 0.78 -0.60 0.41 4.06 -0.91 0.15 115.95 119.86 3fyi h TRP 458 Ca 0.16 -0.24 -0.04 0.00 2.06 0.00 0.00 58.89 60.82 3fyi h TRP 458 Cb 0.23 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.21 3fyi h TRP 458 CO -0.28 0.97 0.20 0.52 -3.56 0.00 0.00 178.44 176.29 3fyi h MET 459 N 0.52 0.92 -0.16 0.49 2.86 -0.95 -1.73 114.93 116.87 3fyi h MET 459 Ca 0.03 -0.19 -0.06 0.00 -2.06 0.00 0.00 59.70 57.43 3fyi h MET 459 Cb 0.98 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.50 3fyi h MET 459 CO 0.09 0.81 -0.12 1.98 1.06 0.00 0.00 176.91 180.73 3fyi h MET 460 N 0.84 0.37 -0.64 1.72 1.85 -0.95 -0.57 114.93 117.56 3fyi h MET 460 Ca 0.19 -0.18 -0.03 0.00 -0.61 0.00 0.00 59.70 59.07 3fyi h MET 460 Cb 0.26 -0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.26 3fyi h MET 460 CO -0.01 0.72 0.27 0.35 -0.40 0.00 0.00 176.91 177.84 3fyi h PHE 461 N 0.02 0.95 0.09 1.39 3.04 -0.71 0.28 116.94 122.02 3fyi h PHE 461 Ca 0.03 -0.06 -0.00 0.00 3.98 0.00 0.00 57.97 61.91 3fyi h PHE 461 Cb 0.63 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.86 3fyi h PHE 461 CO 0.08 0.74 -0.04 0.28 -2.02 0.00 0.00 178.31 177.34 3fyi h VAL 462 N 0.89 1.11 -0.45 1.41 2.07 -1.38 -2.97 116.25 116.93 3fyi h VAL 462 Ca 0.21 -0.78 0.06 0.00 0.82 0.00 0.00 66.70 67.01 3fyi h VAL 462 Cb 0.18 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 3fyi h VAL 462 CO -0.02 0.19 0.14 1.23 0.02 0.00 0.00 177.57 179.13 3fyi h GLY 463 N -0.48 0.57 0.99 2.17 0.00 -0.98 -1.94 103.07 103.40 3fyi h GLY 463 Ca -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 3fyi h GLY 463 CO 0.02 0.00 0.30 0.00 0.00 0.00 0.00 176.54 176.87 3fyi h ALA 464 N 1.30 0.76 -0.48 3.60 0.00 -0.51 -0.92 119.26 123.00 3fyi h ALA 464 Ca 0.21 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3fyi h ALA 464 Cb 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3fyi h ALA 464 CO -0.23 0.30 -0.13 -0.91 0.00 0.00 0.00 179.25 178.27 3fyi h ASN 465 N 0.80 0.90 0.08 0.00 2.35 -1.39 -2.01 115.58 116.31 3fyi h ASN 465 Ca 0.20 -0.30 -0.08 0.00 -0.55 0.00 0.00 56.30 55.58 3fyi h ASN 465 Cb 0.08 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3fyi h ASN 465 CO -0.03 1.04 -0.25 -0.07 -1.65 0.00 0.00 177.43 176.47 3fyi h LEU 466 N 0.80 0.29 0.02 1.61 3.38 -1.09 -1.47 115.31 118.84 3fyi h LEU 466 Ca 0.13 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3fyi h LEU 466 Cb 0.66 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3fyi h LEU 466 CO 0.05 0.55 -0.01 0.74 0.09 0.00 0.00 178.44 179.86 3fyi h THR 467 N 0.26 1.35 0.00 0.22 2.02 -0.98 -3.31 112.91 112.48 3fyi h THR 467 Ca 0.04 -1.13 -0.25 0.00 0.77 0.00 0.00 66.41 65.84 3fyi h THR 467 Cb 0.59 2.11 -0.05 0.00 -1.74 0.00 0.00 68.15 69.06 3fyi h THR 467 CO 0.04 0.29 -2.17 0.49 0.37 0.00 0.00 175.52 174.54 3fyi n PHE 468 N -4.87 0.00 -0.20 3.16 3.72 -0.77 -4.35 117.46 114.15 3fyi n PHE 468 Ca -0.08 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.25 3fyi n PHE 468 Cb 0.25 -0.79 0.03 0.00 -0.94 0.00 0.00 39.48 38.03 3fyi n PHE 468 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 3fyi h PHE 469 N 0.00 0.75 0.00 1.38 3.57 -1.48 -2.57 116.94 118.59 3fyi h PHE 469 Ca -0.38 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.12 3fyi h PHE 469 Cb 1.84 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 40.33 3fyi h PHE 469 CO 0.00 0.50 -0.03 -1.35 -2.23 0.00 0.00 178.31 175.21 3fyi h PRO 470 N 0.79 0.00 0.00 6.41 0.11 -1.77 -1.89 132.00 135.65 3fyi h PRO 470 Ca 0.21 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.32 3fyi h PRO 470 Cb -0.05 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.06 3fyi h PRO 470 CO -0.04 0.03 -0.02 1.96 -0.21 0.00 0.00 178.00 179.72 3fyi h GLN 471 N 0.00 0.00 -0.68 1.05 4.20 -1.65 -1.19 115.11 116.85 3fyi h GLN 471 Ca -0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 3fyi h GLN 471 Cb 0.23 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 3fyi h GLN 471 CO 0.00 0.02 0.23 0.45 -0.67 0.00 0.00 178.83 178.86 3fyi h HIS 472 N 0.00 1.07 -0.23 2.96 3.86 -1.42 -2.10 115.15 119.28 3fyi h HIS 472 Ca -0.00 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.09 3fyi h HIS 472 Cb 0.29 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 3fyi h HIS 472 CO 0.00 0.85 0.07 0.74 0.86 0.00 0.00 177.93 180.45 3fyi h PHE 473 N 0.98 0.37 -0.80 2.45 0.04 -1.37 -0.94 116.94 117.66 3fyi h PHE 473 Ca 0.22 -0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.99 3fyi h PHE 473 Cb 0.27 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 38.26 3fyi h PHE 473 CO 0.02 0.43 0.51 -0.07 -0.60 0.00 0.00 178.31 178.60 3fyi h LEU 474 N 0.20 0.84 -0.38 1.54 3.38 -1.45 -0.14 115.31 119.31 3fyi h LEU 474 Ca 0.07 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3fyi h LEU 474 Cb 0.24 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3fyi h LEU 474 CO -0.00 0.58 0.11 1.23 0.09 0.00 0.00 178.44 180.45 3fyi h GLY 475 N 0.99 0.64 1.82 0.83 0.00 -1.21 0.25 103.07 106.38 3fyi h GLY 475 Ca 0.32 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 3fyi h GLY 475 CO -0.12 0.36 0.04 3.21 0.00 0.00 0.00 176.54 180.03 3fyi h ARG 476 N 0.46 0.24 -0.00 4.80 3.08 -0.73 -1.54 114.38 120.70 3fyi h ARG 476 Ca 0.12 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3fyi h ARG 476 Cb 0.26 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3fyi h ARG 476 CO -0.00 0.23 -0.09 1.04 -1.07 0.00 0.00 179.97 180.07 3fyi n GLN 477 N -4.44 0.87 -0.18 0.04 1.13 -0.10 -4.94 117.38 109.76 3fyi n GLN 477 Ca -0.00 -0.32 0.00 0.00 -1.94 0.00 0.00 57.00 54.74 3fyi n GLN 477 Cb 0.14 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.99 3fyi n GLN 477 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3fyi n GLY 478 N 1.23 0.89 3.65 1.08 0.00 -0.58 -5.05 105.19 106.41 3fyi n GLY 478 Ca 0.16 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 3fyi n GLY 478 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fyi s MET 479 N -0.36 4.14 0.67 1.61 0.00 -0.01 -5.00 119.30 120.36 3fyi s MET 479 Ca 0.00 1.61 -0.12 0.00 0.00 0.00 0.00 55.69 57.18 3fyi s MET 479 Cb 0.00 -3.82 0.00 0.00 0.00 0.00 0.00 34.83 31.02 3fyi s MET 479 CO 0.00 -0.83 1.06 -2.14 0.00 0.00 0.00 175.02 173.12 3fyi s PRO 480 N 3.73 2.96 0.61 4.11 0.02 -1.26 -1.62 135.00 143.55 3fyi s PRO 480 Ca 0.57 1.06 -0.15 0.00 0.02 0.00 0.00 61.00 62.50 3fyi s PRO 480 Cb -0.22 -1.99 -0.03 0.00 0.02 0.00 0.00 34.50 32.28 3fyi s PRO 480 CO 0.18 -1.08 1.06 1.03 -0.33 0.00 0.00 177.00 177.85 3fyi s ARG 481 N -4.72 3.26 -0.74 5.54 0.52 -0.44 -4.31 118.95 118.06 3fyi s ARG 481 Ca 0.60 1.18 -0.00 0.00 -0.52 0.00 0.00 55.73 56.99 3fyi s ARG 481 Cb -0.15 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.29 3fyi s ARG 481 CO 0.50 -0.86 0.03 0.54 0.02 0.00 0.00 175.30 175.53 3fyi n ARG 482 N -2.17 -0.88 -3.85 3.54 1.74 -1.26 -4.99 116.66 108.79 3fyi n ARG 482 Ca 0.09 0.42 -0.36 0.00 -0.77 0.00 0.00 57.85 57.23 3fyi n ARG 482 Cb 0.53 -4.38 -0.11 0.00 -1.02 0.00 0.00 32.46 27.48 3fyi n ARG 482 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3fyi s TYR 483 N -2.49 3.15 0.40 -1.55 1.51 -1.26 -4.90 117.35 112.21 3fyi s TYR 483 Ca 0.02 -0.20 0.12 0.00 -1.01 0.00 0.00 57.07 56.00 3fyi s TYR 483 Cb -0.01 -2.19 0.84 0.00 -0.11 0.00 0.00 41.96 40.48 3fyi s TYR 483 CO 0.02 -0.16 1.91 0.97 -1.11 0.00 0.00 175.55 177.18 3fyi h ILE 484 N 5.30 1.19 -3.89 2.71 2.10 -1.95 -3.46 117.51 119.50 3fyi h ILE 484 Ca -0.37 -0.86 -0.10 0.00 1.08 0.00 0.00 64.86 64.61 3fyi h ILE 484 Cb 1.18 1.38 -0.13 0.00 -1.09 0.00 0.00 36.82 38.16 3fyi h ILE 484 CO 0.61 0.26 -0.38 -0.62 -1.08 0.00 0.00 178.15 176.94 3fyi s ASP 485 N -6.94 0.11 -0.02 2.19 2.15 -1.26 -4.77 116.67 108.13 3fyi s ASP 485 Ca -0.04 -0.78 -0.17 0.00 0.43 0.00 0.00 52.55 51.99 3fyi s ASP 485 Cb 0.15 0.37 0.03 0.00 -0.30 0.00 0.00 42.92 43.17 3fyi s ASP 485 CO 0.72 -0.79 0.36 -0.72 -0.17 0.00 0.00 175.17 174.57 3fyi s TYR 486 N -3.92 -0.25 0.27 -5.34 1.13 -1.26 -5.07 117.35 102.92 3fyi s TYR 486 Ca 0.11 0.41 -0.28 0.00 -1.41 0.00 0.00 57.07 55.90 3fyi s TYR 486 Cb 0.05 0.14 -0.15 0.00 -1.10 0.00 0.00 41.96 40.90 3fyi s TYR 486 CO -0.06 -0.41 0.87 -2.30 -2.51 0.00 0.00 175.55 171.13 3fyi n PRO 487 N 1.28 0.98 -0.37 -3.49 -0.02 -1.26 -4.55 135.00 127.56 3fyi n PRO 487 Ca -0.21 0.34 0.29 0.00 -2.02 0.00 0.00 63.50 61.90 3fyi n PRO 487 Cb 0.56 -1.62 0.55 0.00 -0.02 0.00 0.00 33.50 32.98 3fyi n PRO 487 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3fyi h GLU 488 N 1.68 0.24 0.00 -0.52 4.57 -2.01 -1.25 114.58 117.29 3fyi h GLU 488 Ca -0.37 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 3fyi h GLU 488 Cb 1.37 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 3fyi h GLU 488 CO 0.59 0.16 0.00 0.00 -1.18 0.00 0.00 179.01 178.58 3fyi h ALA 489 N 1.70 1.00 -0.10 2.92 0.00 -2.05 -1.93 119.26 120.80 3fyi h ALA 489 Ca 0.73 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.64 3fyi h ALA 489 Cb 1.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.77 3fyi h ALA 489 CO -0.46 0.00 0.00 1.19 0.00 0.00 0.00 179.25 179.98 3fyi n PHE 490 N -3.01 0.13 0.07 0.00 3.72 -0.47 -4.53 117.46 113.37 3fyi n PHE 490 Ca -0.02 -0.06 -0.12 0.00 -0.05 0.00 0.00 57.45 57.19 3fyi n PHE 490 Cb 0.10 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.58 3fyi n PHE 490 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fyi h ALA 491 N 3.90 -0.12 0.29 4.37 0.00 -1.53 -2.95 119.26 123.21 3fyi h ALA 491 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fyi h ALA 491 Cb 0.31 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3fyi h ALA 491 CO 0.00 -0.58 -0.37 1.15 0.00 0.00 0.00 179.25 179.45 3fyi h THR 492 N -0.14 0.24 0.00 0.00 2.02 -1.84 -1.18 112.91 112.01 3fyi h THR 492 Ca 0.01 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.11 3fyi h THR 492 Cb 0.14 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 3fyi h THR 492 CO -0.02 0.00 -0.36 -0.50 0.37 0.00 0.00 175.52 175.00 3fyi h TRP 493 N -0.71 0.00 -0.16 3.16 -0.00 -1.91 -2.22 115.95 114.10 3fyi h TRP 493 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 58.89 58.78 3fyi h TRP 493 Cb 0.67 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.82 3fyi h TRP 493 CO -0.25 0.36 -0.34 -0.91 -0.00 0.00 0.00 178.44 177.30 3fyi h ASN 494 N 0.00 0.35 0.03 -3.49 2.35 -1.31 -1.21 115.58 112.30 3fyi h ASN 494 Ca -0.00 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 3fyi h ASN 494 Cb 0.94 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.21 3fyi h ASN 494 CO 0.05 0.67 -0.01 0.15 -1.65 0.00 0.00 177.43 176.64 3fyi h PHE 495 N 0.29 -0.04 -0.22 1.19 3.57 -0.72 -1.90 116.94 119.11 3fyi h PHE 495 Ca 0.03 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.58 3fyi h PHE 495 Cb 0.75 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.45 3fyi h PHE 495 CO 0.02 0.44 -0.09 0.28 -2.23 0.00 0.00 178.31 176.73 3fyi h VAL 496 N -0.53 0.69 -0.83 1.41 2.07 -1.44 -1.24 116.25 116.38 3fyi h VAL 496 Ca -0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 3fyi h VAL 496 Cb 0.50 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 3fyi h VAL 496 CO 0.01 0.00 0.47 -1.28 0.02 0.00 0.00 177.57 176.78 3fyi h SER 497 N -0.06 0.65 -0.50 0.57 0.87 -1.22 -0.60 113.55 113.26 3fyi h SER 497 Ca 0.12 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.68 3fyi h SER 497 Cb 0.24 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 3fyi h SER 497 CO -0.27 0.36 0.10 0.28 -0.53 0.00 0.00 176.83 176.77 3fyi h SER 498 N 0.77 0.78 -0.77 6.23 0.02 -0.82 -1.70 113.55 118.05 3fyi h SER 498 Ca 0.41 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3fyi h SER 498 Cb 0.41 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 3fyi h SER 498 CO -0.26 0.83 0.44 -0.07 -1.14 0.00 0.00 176.83 176.62 3fyi h LEU 499 N 0.70 0.94 -0.68 5.07 3.38 -0.57 -1.41 115.31 122.75 3fyi h LEU 499 Ca 0.15 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.11 3fyi h LEU 499 Cb 0.37 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 3fyi h LEU 499 CO 0.01 0.75 0.37 1.23 0.09 0.00 0.00 178.44 180.89 3fyi h GLY 500 N 1.06 1.00 2.00 0.83 0.00 -0.89 -1.85 103.07 105.22 3fyi h GLY 500 Ca 0.27 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 47.25 3fyi h GLY 500 CO -0.05 0.14 -0.46 0.00 0.00 0.00 0.00 176.54 176.17 3fyi h ALA 501 N 1.37 1.16 -0.16 3.60 0.00 -0.78 -1.42 119.26 123.03 3fyi h ALA 501 Ca 0.31 -0.42 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 3fyi h ALA 501 Cb 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3fyi h ALA 501 CO -0.20 0.57 -0.71 0.74 0.00 0.00 0.00 179.25 179.65 3fyi h PHE 502 N 0.00 0.92 -0.33 0.00 0.04 -0.82 -2.01 116.94 114.75 3fyi h PHE 502 Ca -0.00 -0.39 -0.05 0.00 2.80 0.00 0.00 57.97 60.32 3fyi h PHE 502 Cb 0.85 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.84 3fyi h PHE 502 CO 0.00 1.19 -0.01 1.25 -0.60 0.00 0.00 178.31 180.15 3fyi h LEU 503 N 0.49 0.58 -1.62 1.54 5.85 -1.21 -1.92 115.31 119.01 3fyi h LEU 503 Ca -0.03 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.41 3fyi h LEU 503 Cb 1.31 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3fyi h LEU 503 CO 0.14 0.75 0.31 0.28 -0.34 0.00 0.00 178.44 179.58 3fyi h SER 504 N 0.39 0.43 -0.12 1.25 0.02 -1.28 -1.11 113.55 113.12 3fyi h SER 504 Ca 0.09 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.84 3fyi h SER 504 Cb 0.46 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.91 3fyi h SER 504 CO 0.02 0.30 -0.68 0.15 -1.14 0.00 0.00 176.83 175.48 3fyi h PHE 505 N 0.50 0.92 -0.87 3.45 3.57 -1.17 -2.42 116.94 120.93 3fyi h PHE 505 Ca 0.19 -0.41 0.05 0.00 3.53 0.00 0.00 57.97 61.33 3fyi h PHE 505 Cb 0.13 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.67 3fyi h PHE 505 CO -0.00 1.23 0.55 0.00 -2.23 0.00 0.00 178.31 177.85 3fyi h ALA 506 N 0.51 1.18 -0.25 2.41 0.00 -1.04 -1.74 119.26 120.33 3fyi h ALA 506 Ca -0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3fyi h ALA 506 Cb 1.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3fyi h ALA 506 CO 0.14 0.32 -0.01 0.66 0.00 0.00 0.00 179.25 180.36 3fyi h SER 507 N 1.01 0.34 0.60 0.00 4.64 -1.14 -1.64 113.55 117.37 3fyi h SER 507 Ca 0.37 -0.05 -0.23 0.00 -0.47 0.00 0.00 61.79 61.40 3fyi h SER 507 Cb 0.13 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3fyi h SER 507 CO -0.16 0.41 -1.03 0.15 -0.87 0.00 0.00 176.83 175.33 3fyi h PHE 508 N 0.36 0.39 -0.21 4.77 3.57 -0.87 -1.06 116.94 123.90 3fyi h PHE 508 Ca 0.08 -0.25 -0.06 0.00 3.53 0.00 0.00 57.97 61.28 3fyi h PHE 508 Cb 0.26 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 3fyi h PHE 508 CO 0.01 1.12 -0.10 -0.07 -2.23 0.00 0.00 178.31 177.04 3fyi h LEU 509 N 0.11 0.44 -0.23 0.59 3.38 -1.20 -1.29 115.31 117.12 3fyi h LEU 509 Ca -0.08 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.54 3fyi h LEU 509 Cb 1.71 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 42.27 3fyi h LEU 509 CO 0.16 0.76 -0.25 0.15 0.09 0.00 0.00 178.44 179.35 3fyi h PHE 510 N 0.13 -0.66 -0.68 1.13 3.57 -1.32 0.39 116.94 119.50 3fyi h PHE 510 Ca 0.05 0.04 0.14 0.00 3.53 0.00 0.00 57.97 61.73 3fyi h PHE 510 Cb 0.59 0.32 -0.11 0.00 2.79 0.00 0.00 35.95 39.54 3fyi h PHE 510 CO 0.06 -0.32 0.08 0.35 -2.23 0.00 0.00 178.31 176.25 3fyi h PHE 511 N -0.26 0.10 -0.81 0.41 3.57 -1.09 0.35 116.94 119.21 3fyi h PHE 511 Ca 0.13 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 3fyi h PHE 511 Cb 0.46 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 3fyi h PHE 511 CO -0.39 -0.13 0.40 -0.07 -2.23 0.00 0.00 178.31 175.89 3fyi h LEU 512 N 0.18 1.04 -1.10 0.59 3.38 -0.33 0.13 115.31 119.20 3fyi h LEU 512 Ca 0.37 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3fyi h LEU 512 Cb 0.62 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3fyi h LEU 512 CO -0.53 0.86 0.44 1.23 0.09 0.00 0.00 178.44 180.54 3fyi h GLY 513 N 1.17 1.14 0.82 0.83 0.00 0.60 -1.29 103.07 106.34 3fyi h GLY 513 Ca 0.28 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 3fyi h GLY 513 CO -0.04 0.47 -0.03 -2.08 0.00 0.00 0.00 176.54 174.86 3fyi h VAL 514 N 1.08 1.28 -0.96 4.60 2.07 0.74 -1.76 116.25 123.30 3fyi h VAL 514 Ca 0.28 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 3fyi h VAL 514 Cb -0.00 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 3fyi h VAL 514 CO -0.05 0.30 0.59 0.40 0.02 0.00 0.00 177.57 178.83 3fyi h ILE 515 N 0.14 1.26 -0.15 4.57 1.08 -0.68 -1.06 117.51 122.67 3fyi h ILE 515 Ca 0.06 -0.55 -0.02 0.00 -0.39 0.00 0.00 64.86 63.96 3fyi h ILE 515 Cb 0.47 -0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.11 3fyi h ILE 515 CO 0.02 0.27 0.03 0.15 -0.69 0.00 0.00 178.15 177.93 3fyi h PHE 516 N 1.32 0.26 -0.64 1.37 3.57 -1.15 -2.07 116.94 119.59 3fyi h PHE 516 Ca 0.35 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.81 3fyi h PHE 516 Cb -0.08 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 3fyi h PHE 516 CO 0.00 0.40 0.41 -0.92 -2.23 0.00 0.00 178.31 175.97 3fyi h TYR 517 N 0.04 0.83 -0.49 0.41 3.20 -1.20 -2.79 116.97 116.97 3fyi h TYR 517 Ca 0.05 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 3fyi h TYR 517 Cb 0.28 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 3fyi h TYR 517 CO 0.01 0.54 0.29 1.15 -1.64 0.00 0.00 178.16 178.52 3fyi h THR 518 N 0.87 1.15 0.00 1.81 2.02 -1.06 0.10 112.91 117.81 3fyi h THR 518 Ca 0.23 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3fyi h THR 518 Cb -0.06 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 3fyi h THR 518 CO -0.05 0.16 0.00 0.18 0.37 0.00 0.00 175.52 176.18 3fyi n LEU 519 N -4.70 0.64 -0.04 2.58 4.77 -0.79 -2.95 117.00 116.51 3fyi n LEU 519 Ca 0.02 0.57 -0.07 0.00 -0.03 0.00 0.00 56.01 56.49 3fyi n LEU 519 Cb 0.06 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 40.75 3fyi n LEU 519 CO 0.36 -0.17 -0.51 0.35 -1.33 0.00 0.00 177.39 176.08 3fyi n THR 520 N -2.11 1.31 -1.76 -5.08 -2.24 -1.06 -4.85 114.28 98.49 3fyi n THR 520 Ca 0.06 0.17 -0.04 0.00 -2.27 0.00 0.00 64.05 61.96 3fyi n THR 520 Cb 0.40 -1.98 0.14 0.00 -2.10 0.00 0.00 70.33 66.79 3fyi n THR 520 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fyi n ARG 521 N -4.01 2.25 -3.86 -0.78 1.74 0.31 -5.04 116.66 107.27 3fyi n ARG 521 Ca -0.12 -3.58 -0.36 0.00 -0.77 0.00 0.00 57.85 53.01 3fyi n ARG 521 Cb 0.38 -1.82 -0.07 0.00 -1.02 0.00 0.00 32.46 29.93 3fyi n ARG 521 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3fyi s GLY 522 N -3.35 2.09 -0.32 -0.13 0.00 -0.96 -4.88 107.32 99.78 3fyi s GLY 522 Ca 0.42 -0.67 -0.41 0.00 0.00 0.00 0.00 44.72 44.07 3fyi s GLY 522 CO -0.03 -0.20 1.30 0.00 0.00 0.00 0.00 173.10 174.17 3fyi n ALA 523 N 2.57 -1.88 -1.77 3.20 0.00 -1.26 -4.31 120.51 117.06 3fyi n ALA 523 Ca -0.18 0.48 -0.38 0.00 0.00 0.00 0.00 53.44 53.36 3fyi n ALA 523 Cb 0.54 -1.70 -0.01 0.00 0.00 0.00 0.00 19.45 18.28 3fyi n ALA 523 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3fyi s ARG 524 N 1.89 3.86 0.07 0.00 0.52 -1.26 -0.84 118.95 123.19 3fyi s ARG 524 Ca 0.91 1.84 -0.24 0.00 -0.52 0.00 0.00 55.73 57.72 3fyi s ARG 524 Cb -1.30 -2.53 -0.06 0.00 0.52 0.00 0.00 34.95 31.59 3fyi s ARG 524 CO 0.67 -0.48 0.75 0.08 0.02 0.00 0.00 175.30 176.34 3fyi s VAL 525 N -1.47 4.66 -0.17 3.52 1.01 0.13 -4.84 120.40 123.24 3fyi s VAL 525 Ca 0.61 1.60 -0.01 0.00 0.00 0.00 0.00 61.98 64.18 3fyi s VAL 525 Cb -0.30 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 31.88 3fyi s VAL 525 CO 0.37 0.41 -0.17 0.35 0.00 0.00 0.00 175.10 176.07 3fyi n THR 526 N 2.47 0.97 -2.67 3.92 -2.24 -1.26 -4.91 114.28 110.56 3fyi n THR 526 Ca -0.04 -0.34 -0.32 0.00 -2.27 0.00 0.00 64.05 61.07 3fyi n THR 526 Cb 0.50 -1.23 -0.05 0.00 -2.10 0.00 0.00 70.33 67.44 3fyi n THR 526 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fyi s ALA 527 N -2.34 3.11 0.04 6.98 0.00 -1.26 -4.90 121.76 123.40 3fyi s ALA 527 Ca -0.23 0.22 -0.27 0.00 0.00 0.00 0.00 51.96 51.68 3fyi s ALA 527 Cb 0.07 -3.06 -0.17 0.00 0.00 0.00 0.00 23.12 19.96 3fyi s ALA 527 CO 0.37 -0.02 1.46 -0.91 0.00 0.00 0.00 175.76 176.66 3fyi h ASN 528 N 1.45 -0.37 -3.53 0.00 4.21 -1.84 -3.40 115.58 112.10 3fyi h ASN 528 Ca -0.48 -0.10 -0.70 0.00 1.21 0.00 0.00 56.30 56.23 3fyi h ASN 528 Cb 1.18 0.09 -0.31 0.00 -1.12 0.00 0.00 38.32 38.17 3fyi h ASN 528 CO 0.62 -0.11 -0.54 0.21 -1.29 0.00 0.00 177.43 176.31 3fyi s ASN 529 N -4.95 5.36 -0.01 5.81 3.84 -1.20 -4.73 114.94 119.06 3fyi s ASN 529 Ca -0.15 -1.63 0.17 0.00 0.21 0.00 0.00 52.86 51.46 3fyi s ASN 529 Cb 0.03 -1.88 0.51 0.00 -0.55 0.00 0.00 41.25 39.37 3fyi s ASN 529 CO 0.60 -0.48 1.42 0.00 -2.79 0.00 0.00 177.10 175.85 3fyi n TYR 530 N 4.75 0.80 0.00 0.43 4.11 -1.26 -4.65 117.16 121.34 3fyi n TYR 530 Ca -0.08 -0.39 0.00 0.00 -0.00 0.00 0.00 57.90 57.43 3fyi n TYR 530 Cb 0.42 -0.02 0.00 0.00 -0.00 0.00 0.00 39.34 39.75 3fyi n TYR 530 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.86 177.77 3fyi n TRP 531 N 1.16 0.00 -3.83 -3.48 5.03 -1.26 -5.12 117.44 109.94 3fyi n TRP 531 Ca 0.19 0.00 -0.07 0.00 3.03 0.00 0.00 57.50 60.65 3fyi n TRP 531 Cb 0.50 0.00 0.01 0.00 -1.03 0.00 0.00 31.31 30.79 3fyi n TRP 531 CO 0.00 0.00 0.00 0.54 -0.03 0.00 0.00 177.69 178.20 3fyi s ASN 532 N -0.82 -0.09 0.27 -0.99 2.20 -1.26 -5.04 114.94 109.21 3fyi s ASN 532 Ca 0.00 -0.85 0.20 0.00 -0.94 0.00 0.00 52.86 51.27 3fyi s ASN 532 Cb 0.00 0.73 1.02 0.00 -2.00 0.00 0.00 41.25 40.99 3fyi s ASN 532 CO 0.00 -1.41 1.61 -1.84 -2.94 0.00 0.00 177.10 172.52 3fyi n GLU 533 N -0.53 0.14 0.00 3.55 0.00 -1.26 -2.08 120.64 120.46 3fyi n GLU 533 Ca -0.06 0.57 0.13 0.00 0.00 0.00 0.00 57.16 57.79 3fyi n GLU 533 Cb 0.60 -1.89 0.32 0.00 0.00 0.00 0.00 31.44 30.47 3fyi n GLU 533 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3fyi n HIS 534 N -2.17 0.00 -2.61 -1.84 8.25 -1.26 -4.20 115.22 111.39 3fyi n HIS 534 Ca -0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 3fyi n HIS 534 Cb 0.08 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.04 3fyi n HIS 534 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fyi s ALA 535 N -2.62 3.25 -0.45 -1.41 0.00 -0.88 -4.32 121.76 115.34 3fyi s ALA 535 Ca 0.21 -2.82 0.04 0.00 0.00 0.00 0.00 51.96 49.39 3fyi s ALA 535 Cb 0.19 -4.58 0.59 0.00 0.00 0.00 0.00 23.12 19.32 3fyi s ALA 535 CO 0.57 -3.32 1.81 -0.40 0.00 0.00 0.00 175.76 174.42 3fyi n ASP 536 N 8.27 4.15 -4.75 0.00 5.75 -1.26 -4.82 116.55 123.88 3fyi n ASP 536 Ca 0.45 -3.69 -0.22 0.00 -0.01 0.00 0.00 54.79 51.31 3fyi n ASP 536 Cb 0.47 -0.80 -0.06 0.00 -1.03 0.00 0.00 41.12 39.70 3fyi n ASP 536 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3fyi s THR 537 N -3.59 3.71 0.56 2.12 -4.23 -1.26 -5.04 115.64 107.91 3fyi s THR 537 Ca 0.55 -1.62 0.24 0.00 -1.18 0.00 0.00 61.69 59.68 3fyi s THR 537 Cb 0.47 -3.11 0.33 0.00 1.34 0.00 0.00 72.50 71.52 3fyi s THR 537 CO 0.06 -0.30 2.17 -0.07 -0.54 0.00 0.00 174.62 175.94 3fyi h LEU 538 N 1.59 0.00 -1.83 4.79 3.38 -1.84 -1.93 115.31 119.47 3fyi h LEU 538 Ca -0.46 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 3fyi h LEU 538 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 3fyi h LEU 538 CO 0.61 0.00 -0.08 1.05 0.09 0.00 0.00 178.44 180.11 3fyi h GLU 539 N 0.00 0.00 0.00 1.13 9.09 -1.95 -2.44 114.58 120.40 3fyi h GLU 539 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.45 3fyi h GLU 539 Cb 0.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.27 3fyi h GLU 539 CO -0.00 0.08 -0.30 0.91 0.05 0.00 0.00 179.01 179.74 3fyi n TRP 540 N -3.32 0.08 0.39 2.06 7.02 -0.73 -2.89 117.44 120.05 3fyi n TRP 540 Ca -0.01 0.02 0.12 0.00 -1.02 0.00 0.00 57.50 56.62 3fyi n TRP 540 Cb 0.26 -0.40 0.23 0.00 -2.42 0.00 0.00 31.31 28.98 3fyi n TRP 540 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 3fyi h THR 541 N 0.00 0.00 -2.21 -0.99 1.35 -1.57 -3.19 112.91 106.30 3fyi h THR 541 Ca 0.00 -0.75 -0.43 0.00 -0.55 0.00 0.00 66.41 64.68 3fyi h THR 541 Cb 0.53 1.63 0.04 0.00 -1.73 0.00 0.00 68.15 68.62 3fyi h THR 541 CO 0.00 0.00 -0.10 -0.76 -0.25 0.00 0.00 175.52 174.41 3fyi s LEU 542 N -5.26 3.40 1.03 3.87 1.43 -1.14 -5.01 118.68 117.00 3fyi s LEU 542 Ca 0.07 -0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 52.90 3fyi s LEU 542 Cb 0.09 -2.81 0.21 0.00 0.03 0.00 0.00 46.19 43.70 3fyi s LEU 542 CO 0.67 -1.02 1.13 0.28 0.23 0.00 0.00 176.35 177.64 3fyi s THR 543 N -2.63 1.89 -0.31 5.49 -1.32 -1.26 -4.50 115.64 112.99 3fyi s THR 543 Ca 0.56 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 61.05 3fyi s THR 543 Cb -0.10 -2.61 0.10 0.00 -1.51 0.00 0.00 72.50 68.37 3fyi s THR 543 CO 0.37 0.00 0.07 -0.44 -2.21 0.00 0.00 174.62 172.40 3fyi s SER 544 N -3.87 4.26 0.76 8.08 0.01 -1.26 -1.95 113.70 119.72 3fyi s SER 544 Ca 0.67 -1.77 -0.11 0.00 1.31 0.00 0.00 55.95 56.06 3fyi s SER 544 Cb -0.14 -1.16 0.05 0.00 0.21 0.00 0.00 66.02 64.98 3fyi s SER 544 CO 0.55 -0.38 1.08 -2.16 0.41 0.00 0.00 173.24 172.74 3fyi s PRO 545 N 1.34 2.42 0.89 12.44 0.04 -1.25 -4.16 135.00 146.72 3fyi s PRO 545 Ca 0.09 0.90 -0.10 0.00 0.04 0.00 0.00 61.00 61.92 3fyi s PRO 545 Cb -0.18 -1.94 0.13 0.00 0.04 0.00 0.00 34.50 32.56 3fyi s PRO 545 CO -0.17 -1.45 1.13 -2.14 0.04 0.00 0.00 177.00 174.40 3fyi s PRO 546 N -5.04 1.21 0.71 0.56 0.02 -0.82 -4.99 135.00 126.64 3fyi s PRO 546 Ca 0.60 1.42 -0.12 0.00 0.02 0.00 0.00 61.00 62.92 3fyi s PRO 546 Cb -0.15 -1.76 0.02 0.00 0.02 0.00 0.00 34.50 32.63 3fyi s PRO 546 CO 0.55 -2.46 1.08 -2.14 -0.33 0.00 0.00 177.00 173.70 3fyi s PRO 547 N -4.71 2.70 0.26 5.54 0.02 -1.26 -4.93 135.00 132.63 3fyi s PRO 547 Ca 0.65 1.13 -0.09 0.00 0.02 0.00 0.00 61.00 62.71 3fyi s PRO 547 Cb -0.21 -1.95 0.41 0.00 0.02 0.00 0.00 34.50 32.76 3fyi s PRO 547 CO 0.58 -1.30 1.57 0.93 -0.33 0.00 0.00 177.00 178.46 3fyi h GLU 548 N -0.62 -0.00 -5.60 5.54 5.08 -2.04 -3.37 114.58 113.57 3fyi h GLU 548 Ca -0.44 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.25 3fyi h GLU 548 Cb 1.22 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.24 3fyi h GLU 548 CO 0.54 -0.00 -0.73 -1.01 -1.00 0.00 0.00 179.01 176.81 3fyi s HIS 549 N -6.25 2.87 0.00 4.33 3.76 -1.26 -5.05 115.29 113.68 3fyi s HIS 549 Ca -0.15 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.39 3fyi s HIS 549 Cb 0.25 -1.82 0.00 0.00 1.11 0.00 0.00 32.58 32.12 3fyi s HIS 549 CO 0.77 -0.02 0.46 0.25 -0.85 0.00 0.00 174.74 175.35