#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fi0 s THR 3 N 0.00 4.67 -0.11 -0.18 2.01 -1.26 -0.37 115.64 120.40 3fi0 s THR 3 Ca 0.00 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 61.93 3fi0 s THR 3 Cb 0.00 -3.06 -0.01 0.00 0.01 0.00 0.00 72.50 69.43 3fi0 s THR 3 CO 0.00 0.51 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.65 3fi0 s ILE 4 N -0.02 2.85 -0.13 1.82 1.01 0.10 -0.25 121.20 126.58 3fi0 s ILE 4 Ca 0.05 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.98 3fi0 s ILE 4 Cb -0.12 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.19 3fi0 s ILE 4 CO 0.01 0.54 -0.22 0.12 0.00 0.00 0.00 174.94 175.40 3fi0 s PHE 5 N 0.10 2.64 -0.14 3.97 2.19 -1.16 -0.68 117.98 124.91 3fi0 s PHE 5 Ca -0.07 -1.18 0.00 0.00 0.33 0.00 0.00 56.93 56.01 3fi0 s PHE 5 Cb -0.15 -1.78 0.02 0.00 -1.31 0.00 0.00 43.02 39.80 3fi0 s PHE 5 CO 0.05 -0.51 -0.13 0.45 1.83 0.00 0.00 175.22 176.91 3fi0 s SER 6 N 0.62 2.54 -0.27 6.13 0.15 0.26 -4.16 113.70 118.97 3fi0 s SER 6 Ca -0.12 -0.44 -0.11 0.00 0.70 0.00 0.00 55.95 55.98 3fi0 s SER 6 Cb -0.16 -1.10 -0.05 0.00 -1.71 0.00 0.00 66.02 63.00 3fi0 s SER 6 CO 0.03 -0.06 0.20 -0.83 1.20 0.00 0.00 173.24 173.78 3fi0 s GLY 7 N 1.46 1.94 -0.05 9.45 0.00 -1.26 0.21 107.32 119.07 3fi0 s GLY 7 Ca 0.03 -1.01 0.05 0.00 0.00 0.00 0.00 44.72 43.79 3fi0 s GLY 7 CO -0.09 0.61 -0.19 -0.42 0.00 0.00 0.00 173.10 173.02 3fi0 s ILE 8 N 1.60 2.68 -0.23 0.90 -1.09 0.30 -4.91 121.20 120.45 3fi0 s ILE 8 Ca 0.08 -0.86 -0.12 0.00 -2.23 0.00 0.00 60.65 57.51 3fi0 s ILE 8 Cb -0.15 -2.02 -0.10 0.00 -1.58 0.00 0.00 42.46 38.61 3fi0 s ILE 8 CO 0.09 0.58 -0.31 0.00 -1.23 0.00 0.00 174.94 174.08 3fi0 n GLN 9 N 2.46 0.50 0.00 2.79 1.13 -1.26 -0.70 117.38 122.30 3fi0 n GLN 9 Ca -0.17 0.22 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 3fi0 n GLN 9 Cb 0.52 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.53 3fi0 n GLN 9 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3fi0 n THR 15 N -4.09 0.00 0.29 5.09 -2.24 -1.26 -5.01 114.28 107.07 3fi0 n THR 15 Ca -0.44 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.51 3fi0 n THR 15 Cb 0.80 0.00 0.89 0.00 -2.10 0.00 0.00 70.33 69.92 3fi0 n THR 15 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 3fi0 h ILE 16 N 0.41 0.35 -0.52 2.28 3.07 -1.41 -0.80 117.51 120.87 3fi0 h ILE 16 Ca 0.00 -0.28 -0.11 0.00 1.55 0.00 0.00 64.86 66.02 3fi0 h ILE 16 Cb 0.00 1.20 -0.02 0.00 -0.27 0.00 0.00 36.82 37.73 3fi0 h ILE 16 CO 0.00 0.05 -0.12 1.23 -1.05 0.00 0.00 178.15 178.26 3fi0 h GLY 17 N 0.59 1.08 0.72 0.16 0.00 -1.93 0.38 103.07 104.07 3fi0 h GLY 17 Ca -0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 47.33 46.45 3fi0 h GLY 17 CO 0.01 0.80 -0.10 -0.57 0.00 0.00 0.00 176.54 176.67 3fi0 h ASN 18 N 0.88 -0.24 -0.68 0.19 -1.24 -1.58 0.34 115.58 113.25 3fi0 h ASN 18 Ca 0.14 -0.19 -0.01 0.00 0.71 0.00 0.00 56.30 56.95 3fi0 h ASN 18 Cb 0.68 0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.76 3fi0 h ASN 18 CO 0.05 0.07 0.40 0.22 -1.29 0.00 0.00 177.43 176.87 3fi0 h TYR 19 N -0.56 0.93 0.00 0.67 3.20 -1.11 0.19 116.97 120.28 3fi0 h TYR 19 Ca -0.03 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.67 3fi0 h TYR 19 Cb 0.42 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3fi0 h TYR 19 CO 0.01 0.63 -0.77 0.82 -1.64 0.00 0.00 178.16 177.22 3fi0 h ILE 20 N 0.96 1.54 0.09 1.81 2.04 -0.19 0.60 117.51 124.37 3fi0 h ILE 20 Ca 0.25 -2.64 -0.00 0.00 1.00 0.00 0.00 64.86 63.46 3fi0 h ILE 20 Cb -0.01 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 3fi0 h ILE 20 CO -0.04 0.75 -0.04 1.23 0.00 0.00 0.00 178.15 180.04 3fi0 h GLY 21 N 2.35 -0.13 0.00 5.37 0.00 0.11 -3.36 103.07 107.41 3fi0 h GLY 21 Ca -0.01 0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 3fi0 h GLY 21 CO 0.10 -0.05 -1.14 0.00 0.00 0.00 0.00 176.54 175.45 3fi0 n ALA 22 N -2.12 2.17 0.10 3.60 0.00 0.52 -2.52 120.51 122.25 3fi0 n ALA 22 Ca -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 3fi0 n ALA 22 Cb 0.05 0.45 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 3fi0 n ALA 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3fi0 h LEU 23 N -0.02 0.00 -0.30 0.00 5.85 -1.52 -3.15 115.31 116.17 3fi0 h LEU 23 Ca -0.06 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.46 3fi0 h LEU 23 Cb 1.08 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 3fi0 h LEU 23 CO -0.02 0.73 -0.85 -0.09 -0.34 0.00 0.00 178.44 177.88 3fi0 h ARG 24 N 0.00 0.32 -0.21 1.25 2.43 -1.13 -3.28 114.38 113.77 3fi0 h ARG 24 Ca -0.02 -0.32 -0.18 0.00 -0.81 0.00 0.00 59.98 58.65 3fi0 h ARG 24 Cb 1.58 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.22 3fi0 h ARG 24 CO 0.09 1.00 -0.59 1.96 -1.51 0.00 0.00 179.97 180.92 3fi0 h GLN 25 N 0.19 0.76 -0.31 0.20 1.08 -1.78 -3.04 115.11 112.23 3fi0 h GLN 25 Ca -0.05 -0.55 0.09 0.00 -1.45 0.00 0.00 58.65 56.69 3fi0 h GLN 25 Cb 1.46 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.96 3fi0 h GLN 25 CO 0.14 1.17 0.46 0.74 -0.95 0.00 0.00 178.83 180.38 3fi0 h PHE 26 N 0.49 0.00 0.00 2.96 0.05 -1.61 0.72 116.94 119.56 3fi0 h PHE 26 Ca -0.02 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.77 3fi0 h PHE 26 Cb 1.21 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 39.16 3fi0 h PHE 26 CO 0.09 0.00 -0.01 0.28 -0.18 0.00 0.00 178.31 178.49 3fi0 h VAL 27 N 0.00 0.16 0.00 -0.55 2.07 -1.64 -0.59 116.25 115.69 3fi0 h VAL 27 Ca 0.15 -0.10 -0.26 0.00 0.82 0.00 0.00 66.70 67.31 3fi0 h VAL 27 Cb 1.06 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 3fi0 h VAL 27 CO -0.00 0.01 -1.92 -0.62 0.02 0.00 0.00 177.57 175.06 3fi0 n GLU 28 N -3.28 0.38 -0.30 1.57 1.02 0.19 -4.51 120.64 115.71 3fi0 n GLU 28 Ca -0.03 0.12 0.23 0.00 -0.02 0.00 0.00 57.16 57.47 3fi0 n GLU 28 Cb 0.11 -1.22 0.54 0.00 -0.02 0.00 0.00 31.44 30.86 3fi0 n GLU 28 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3fi0 h LEU 29 N -0.28 0.38 0.00 -4.62 3.38 -1.34 0.18 115.31 113.01 3fi0 h LEU 29 Ca -0.39 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3fi0 h LEU 29 Cb 1.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 3fi0 h LEU 29 CO -0.15 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.47 3fi0 n GLN 30 N -4.54 0.03 -0.08 1.13 10.64 -0.24 -0.66 117.38 123.66 3fi0 n GLN 30 Ca 0.24 0.22 -0.05 0.00 -1.83 0.00 0.00 57.00 55.58 3fi0 n GLN 30 Cb 0.88 -1.50 -0.15 0.00 -0.86 0.00 0.00 30.24 28.61 3fi0 n GLN 30 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3fi0 n HIS 31 N -1.23 0.00 0.72 2.61 8.25 0.62 -4.49 115.22 121.70 3fi0 n HIS 31 Ca 0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 3fi0 n HIS 31 Cb 0.01 -0.85 -0.07 0.00 1.12 0.00 0.00 29.99 30.20 3fi0 n HIS 31 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 3fi0 n GLU 32 N -2.60 0.18 -4.33 -0.41 0.28 0.16 -4.96 120.64 108.95 3fi0 n GLU 32 Ca -0.25 -0.04 -0.18 0.00 -0.16 0.00 0.00 57.16 56.53 3fi0 n GLU 32 Cb 1.00 -1.52 -0.10 0.00 1.43 0.00 0.00 31.44 32.24 3fi0 n GLU 32 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3fi0 s TYR 33 N -3.14 1.60 -0.51 -1.84 1.51 -0.12 -4.61 117.35 110.24 3fi0 s TYR 33 Ca 0.04 -0.76 -0.22 0.00 -1.01 0.00 0.00 57.07 55.13 3fi0 s TYR 33 Cb 0.15 -0.86 0.05 0.00 -0.11 0.00 0.00 41.96 41.19 3fi0 s TYR 33 CO 0.85 0.15 0.76 1.21 -1.11 0.00 0.00 175.55 177.41 3fi0 s ASN 34 N -3.30 6.29 -0.05 2.29 3.04 0.50 -4.67 114.94 119.03 3fi0 s ASN 34 Ca 0.24 -0.57 -0.04 0.00 0.04 0.00 0.00 52.86 52.53 3fi0 s ASN 34 Cb 0.03 -2.36 -0.04 0.00 -1.54 0.00 0.00 41.25 37.34 3fi0 s ASN 34 CO 0.07 -1.01 0.16 0.00 -3.04 0.00 0.00 177.10 173.28 3fi0 s TYR 36 N -1.20 1.92 -0.36 0.00 2.02 0.15 -1.22 117.35 118.66 3fi0 s TYR 36 Ca 0.22 -0.91 0.04 0.00 -0.37 0.00 0.00 57.07 56.05 3fi0 s TYR 36 Cb -0.12 -1.40 0.10 0.00 -0.40 0.00 0.00 41.96 40.14 3fi0 s TYR 36 CO 0.13 -0.48 0.07 -0.06 -1.57 0.00 0.00 175.55 173.64 3fi0 s PHE 37 N 1.06 3.72 -0.25 2.71 0.40 0.15 -0.58 117.98 125.19 3fi0 s PHE 37 Ca -0.05 -2.99 -0.12 0.00 -0.60 0.00 0.00 56.93 53.17 3fi0 s PHE 37 Cb -0.15 -2.94 -0.05 0.00 0.51 0.00 0.00 43.02 40.40 3fi0 s PHE 37 CO -0.02 -0.94 0.21 0.00 0.70 0.00 0.00 175.22 175.17 3fi0 s ILE 39 N 1.39 4.11 -1.31 0.00 1.01 -0.21 0.11 121.20 126.31 3fi0 s ILE 39 Ca 0.09 -0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.52 3fi0 s ILE 39 Cb -0.15 -4.76 0.05 0.00 0.01 0.00 0.00 42.46 37.61 3fi0 s ILE 39 CO 0.07 -1.58 1.85 1.33 0.00 0.00 0.00 174.94 176.61 3fi0 n VAL 40 N 6.11 3.68 0.20 2.92 0.24 0.12 -0.85 118.33 130.75 3fi0 n VAL 40 Ca -0.01 -3.72 0.09 0.00 -2.04 0.00 0.00 64.34 58.66 3fi0 n VAL 40 Cb 0.47 -2.38 0.26 0.00 -1.47 0.00 0.00 33.84 30.72 3fi0 n VAL 40 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3fi0 h ASP 41 N 7.44 0.00 0.98 -1.34 2.03 -1.92 -2.93 116.42 120.67 3fi0 h ASP 41 Ca 0.46 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.59 3fi0 h ASP 41 Cb 0.83 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.31 3fi0 h ASP 41 CO 1.53 0.24 -0.78 1.56 -1.03 0.00 0.00 179.24 180.76 3fi0 h GLN 42 N 0.00 0.00 0.00 4.15 4.20 -1.95 -2.71 115.11 118.80 3fi0 h GLN 42 Ca -0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 3fi0 h GLN 42 Cb 1.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 3fi0 h GLN 42 CO 0.03 0.78 -0.26 0.45 -0.67 0.00 0.00 178.83 179.17 3fi0 h HIS 43 N 0.00 0.00 0.00 2.96 3.86 -1.93 -3.16 115.15 116.88 3fi0 h HIS 43 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3fi0 h HIS 43 Cb 1.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.96 3fi0 h HIS 43 CO 0.00 0.26 0.00 0.00 0.86 0.00 0.00 177.93 179.05 3fi0 n ALA 44 N -2.20 2.03 1.38 2.45 0.00 -1.03 -2.96 120.51 120.18 3fi0 n ALA 44 Ca 0.01 0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.60 3fi0 n ALA 44 Cb 0.53 -1.43 0.46 0.00 0.00 0.00 0.00 19.45 19.01 3fi0 n ALA 44 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3fi0 n ILE 45 N -2.15 0.00 0.31 0.00 -5.35 -1.19 -3.76 119.36 107.21 3fi0 n ILE 45 Ca 0.04 -0.18 0.20 0.00 -0.27 0.00 0.00 62.75 62.54 3fi0 n ILE 45 Cb 0.34 0.42 0.93 0.00 -1.74 0.00 0.00 39.64 39.59 3fi0 n ILE 45 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 3fi0 h THR 46 N 1.71 0.01 -2.36 7.28 1.35 -1.70 -3.43 112.91 115.76 3fi0 h THR 46 Ca 0.00 -0.28 -0.54 0.00 -0.55 0.00 0.00 66.41 65.03 3fi0 h THR 46 Cb 0.49 1.28 -0.14 0.00 -1.73 0.00 0.00 68.15 68.06 3fi0 h THR 46 CO 0.00 0.00 -0.67 0.68 -0.25 0.00 0.00 175.52 175.28 3fi0 s VAL 47 N -3.89 1.85 0.12 6.82 -7.23 -1.25 -4.59 120.40 112.22 3fi0 s VAL 47 Ca -0.02 -2.14 -0.34 0.00 -1.81 0.00 0.00 61.98 57.68 3fi0 s VAL 47 Cb 0.11 -2.56 -0.13 0.00 0.56 0.00 0.00 36.38 34.35 3fi0 s VAL 47 CO 0.48 -0.23 1.66 1.87 -0.31 0.00 0.00 175.10 178.57 3fi0 n TRP 48 N -0.68 2.34 -4.46 2.82 -0.00 -1.26 -4.99 117.44 111.20 3fi0 n TRP 48 Ca -0.05 0.18 -0.22 0.00 -0.00 0.00 0.00 57.50 57.40 3fi0 n TRP 48 Cb 0.64 -2.59 -0.16 0.00 -0.00 0.00 0.00 31.31 29.20 3fi0 n TRP 48 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 3fi0 s GLN 49 N 1.63 1.29 0.06 5.87 -1.52 -1.26 -5.05 119.66 120.68 3fi0 s GLN 49 Ca 0.81 -0.34 -0.31 0.00 -1.95 0.00 0.00 55.36 53.58 3fi0 s GLN 49 Cb -0.66 -1.14 -0.06 0.00 -0.22 0.00 0.00 33.01 30.93 3fi0 s GLN 49 CO 0.40 0.06 1.29 0.34 -0.25 0.00 0.00 175.29 177.12 3fi0 s ASP 50 N 0.49 6.97 -0.02 5.90 -1.08 -1.26 -4.98 116.67 122.68 3fi0 s ASP 50 Ca -0.09 2.11 -0.26 0.00 -0.52 0.00 0.00 52.55 53.80 3fi0 s ASP 50 Cb -0.13 -2.58 -0.20 0.00 -1.46 0.00 0.00 42.92 38.56 3fi0 s ASP 50 CO 0.02 -0.57 1.23 -0.65 0.52 0.00 0.00 175.17 175.72 3fi0 h PRO 51 N 6.98 -0.04 -0.62 4.34 0.11 -1.99 0.68 132.00 141.44 3fi0 h PRO 51 Ca -0.41 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.83 3fi0 h PRO 51 Cb 1.20 0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.23 3fi0 h PRO 51 CO 0.84 0.43 0.10 1.25 -0.21 0.00 0.00 178.00 180.42 3fi0 h HIS 52 N -0.54 0.15 -0.08 0.65 -0.00 -1.99 0.11 115.15 113.45 3fi0 h HIS 52 Ca -0.00 0.04 -0.15 0.00 -0.00 0.00 0.00 60.37 60.25 3fi0 h HIS 52 Cb 0.50 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.92 3fi0 h HIS 52 CO 0.09 -0.07 -0.62 1.49 -0.00 0.00 0.00 177.93 178.82 3fi0 h GLU 53 N 0.22 0.30 -0.17 5.26 4.81 -1.94 -2.96 114.58 120.10 3fi0 h GLU 53 Ca 0.33 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3fi0 h GLU 53 Cb 0.52 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 3fi0 h GLU 53 CO -0.45 0.82 -0.00 1.25 -0.73 0.00 0.00 179.01 179.90 3fi0 h LEU 54 N 0.22 0.30 -1.15 1.64 5.85 -0.33 -2.28 115.31 119.56 3fi0 h LEU 54 Ca -0.01 -0.32 0.20 0.00 0.84 0.00 0.00 57.88 58.60 3fi0 h LEU 54 Cb 1.14 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.99 3fi0 h LEU 54 CO 0.10 0.55 0.62 -0.09 -0.34 0.00 0.00 178.44 179.27 3fi0 h ARG 55 N 0.05 0.63 0.00 1.25 9.65 -0.92 -1.30 114.38 123.75 3fi0 h ARG 55 Ca 0.05 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 3fi0 h ARG 55 Cb 0.39 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 3fi0 h ARG 55 CO 0.01 0.42 -0.85 0.00 2.80 0.00 0.00 179.97 182.35 3fi0 n GLN 56 N -4.70 0.09 0.09 0.20 10.64 -1.13 -3.38 117.38 119.19 3fi0 n GLN 56 Ca 0.23 -0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.30 3fi0 n GLN 56 Cb 0.64 -1.52 -0.03 0.00 -0.86 0.00 0.00 30.24 28.46 3fi0 n GLN 56 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 3fi0 h ASN 57 N 0.00 0.23 -0.26 2.61 2.35 -0.66 0.31 115.58 120.16 3fi0 h ASN 57 Ca 0.00 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.52 3fi0 h ASN 57 Cb 0.57 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 3fi0 h ASN 57 CO 0.00 1.04 0.05 0.40 -1.65 0.00 0.00 177.43 177.27 3fi0 h ILE 58 N 0.09 1.22 0.10 2.81 2.04 -1.42 -2.15 117.51 120.20 3fi0 h ILE 58 Ca -0.05 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 3fi0 h ILE 58 Cb 1.58 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 3fi0 h ILE 58 CO 0.14 0.24 -0.05 -0.09 0.00 0.00 0.00 178.15 178.39 3fi0 h ARG 59 N 0.24 -0.12 -0.60 2.37 2.43 -1.55 -2.64 114.38 114.50 3fi0 h ARG 59 Ca 0.08 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.38 3fi0 h ARG 59 Cb 0.30 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.79 3fi0 h ARG 59 CO 0.00 0.24 0.05 0.00 -1.51 0.00 0.00 179.97 178.75 3fi0 h ARG 60 N -0.51 0.16 -0.50 0.20 3.08 -0.98 -1.71 114.38 114.12 3fi0 h ARG 60 Ca -0.01 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3fi0 h ARG 60 Cb 0.42 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3fi0 h ARG 60 CO 0.02 0.11 0.13 1.25 -1.07 0.00 0.00 179.97 180.41 3fi0 h LEU 61 N 0.17 0.76 -0.32 3.04 5.85 -1.39 -1.14 115.31 122.28 3fi0 h LEU 61 Ca 0.31 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3fi0 h LEU 61 Cb 0.49 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3fi0 h LEU 61 CO -0.47 0.79 0.13 0.00 -0.34 0.00 0.00 178.44 178.55 3fi0 h ALA 62 N 1.00 0.41 0.00 1.25 0.00 -1.13 -2.24 119.26 118.56 3fi0 h ALA 62 Ca 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3fi0 h ALA 62 Cb 0.32 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3fi0 h ALA 62 CO 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 179.25 179.18 3fi0 h ALA 63 N 0.97 1.70 0.00 0.00 0.00 -1.19 -2.14 119.26 118.61 3fi0 h ALA 63 Ca 0.11 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3fi0 h ALA 63 Cb 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3fi0 h ALA 63 CO -0.01 0.10 -0.51 -0.07 0.00 0.00 0.00 179.25 178.77 3fi0 h LEU 64 N 0.00 0.00 0.16 0.00 3.38 -0.72 -1.81 115.31 116.32 3fi0 h LEU 64 Ca -0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 3fi0 h LEU 64 Cb 0.16 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.92 3fi0 h LEU 64 CO 0.01 0.51 -1.40 1.88 0.09 0.00 0.00 178.44 179.53 3fi0 h TYR 65 N 0.00 0.62 -0.27 1.13 -1.99 -0.83 -2.39 116.97 113.23 3fi0 h TYR 65 Ca -0.01 -0.45 -0.08 0.00 2.00 0.00 0.00 58.73 60.20 3fi0 h TYR 65 Cb 1.30 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 40.00 3fi0 h TYR 65 CO 0.00 1.39 -0.13 -0.07 -0.00 0.00 0.00 178.16 179.35 3fi0 h LEU 66 N 0.09 0.58 -1.05 3.88 3.38 -1.45 0.80 115.31 121.54 3fi0 h LEU 66 Ca -0.20 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.30 3fi0 h LEU 66 Cb 2.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.61 3fi0 h LEU 66 CO 0.21 0.86 -0.01 0.00 0.09 0.00 0.00 178.44 179.60 3fi0 h ALA 67 N 0.73 1.21 0.00 1.53 0.00 -1.41 -2.77 119.26 118.56 3fi0 h ALA 67 Ca 0.06 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3fi0 h ALA 67 Cb 0.65 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3fi0 h ALA 67 CO 0.04 0.52 -0.25 0.28 0.00 0.00 0.00 179.25 179.84 3fi0 h VAL 68 N 0.63 0.69 0.00 0.00 2.07 -1.40 -3.43 116.25 114.82 3fi0 h VAL 68 Ca 0.13 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.57 3fi0 h VAL 68 Cb 0.41 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3fi0 h VAL 68 CO 0.02 0.24 0.00 0.61 0.02 0.00 0.00 177.57 178.46 3fi0 n GLY 69 N -0.09 -0.14 3.64 2.17 0.00 -1.05 -5.00 105.19 104.72 3fi0 n GLY 69 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3fi0 n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fi0 s ILE 70 N -0.40 3.37 -0.33 -0.61 -1.09 0.27 -4.87 121.20 117.54 3fi0 s ILE 70 Ca 0.00 0.43 -0.19 0.00 -2.23 0.00 0.00 60.65 58.66 3fi0 s ILE 70 Cb 0.00 -3.34 -0.01 0.00 -1.58 0.00 0.00 42.46 37.53 3fi0 s ILE 70 CO 0.00 -0.11 0.55 -0.62 -1.23 0.00 0.00 174.94 173.53 3fi0 s ASP 71 N 4.77 6.38 0.58 3.58 2.15 -1.26 -4.33 116.67 128.54 3fi0 s ASP 71 Ca 0.81 0.18 0.36 0.00 0.43 0.00 0.00 52.55 54.34 3fi0 s ASP 71 Cb -0.33 -2.29 1.65 0.00 -0.30 0.00 0.00 42.92 41.65 3fi0 s ASP 71 CO 0.34 -0.46 2.09 1.55 -0.17 0.00 0.00 175.17 178.52 3fi0 h PRO 72 N 8.33 0.00 0.00 4.34 0.13 -1.93 0.43 132.00 143.30 3fi0 h PRO 72 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3fi0 h PRO 72 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3fi0 h PRO 72 CO 0.78 0.01 -0.40 1.79 -0.23 0.00 0.00 178.00 179.95 3fi0 h THR 73 N 0.00 0.00 0.02 1.56 1.35 -1.99 -3.35 112.91 110.50 3fi0 h THR 73 Ca -0.00 -0.79 -0.38 0.00 -0.55 0.00 0.00 66.41 64.69 3fi0 h THR 73 Cb 0.37 1.57 -0.05 0.00 -1.73 0.00 0.00 68.15 68.31 3fi0 h THR 73 CO 0.00 0.00 -2.13 1.67 -0.25 0.00 0.00 175.52 174.81 3fi0 n GLN 74 N -2.62 0.62 -4.27 4.72 -0.06 -0.62 -5.03 117.38 110.13 3fi0 n GLN 74 Ca 0.03 0.32 -0.28 0.00 -2.00 0.00 0.00 57.00 55.07 3fi0 n GLN 74 Cb 0.50 -1.59 -0.06 0.00 -4.06 0.00 0.00 30.24 25.03 3fi0 n GLN 74 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3fi0 s ALA 75 N -2.48 3.97 -0.25 1.69 0.00 0.14 -4.65 121.76 120.18 3fi0 s ALA 75 Ca -0.33 -1.36 -0.05 0.00 0.00 0.00 0.00 51.96 50.22 3fi0 s ALA 75 Cb 0.10 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.89 3fi0 s ALA 75 CO 0.58 -0.21 0.01 0.99 0.00 0.00 0.00 175.76 177.13 3fi0 s THR 76 N -2.74 3.59 -0.23 0.00 2.01 -0.36 -4.44 115.64 113.48 3fi0 s THR 76 Ca 0.28 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.70 3fi0 s THR 76 Cb 0.02 -2.74 0.04 0.00 0.01 0.00 0.00 72.50 69.83 3fi0 s THR 76 CO 0.16 0.27 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.99 3fi0 s LEU 77 N 1.48 2.87 0.13 4.42 2.96 -1.26 0.31 118.68 129.59 3fi0 s LEU 77 Ca 0.04 -1.08 -0.06 0.00 -0.22 0.00 0.00 54.13 52.81 3fi0 s LEU 77 Cb -0.16 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 3fi0 s LEU 77 CO -0.01 -0.11 0.18 0.72 -1.32 0.00 0.00 176.35 175.81 3fi0 s PHE 78 N 1.19 0.47 -0.24 5.38 -0.71 -0.77 -4.22 117.98 119.08 3fi0 s PHE 78 Ca -0.03 -0.87 -0.18 0.00 -1.04 0.00 0.00 56.93 54.81 3fi0 s PHE 78 Cb -0.17 -0.19 -0.03 0.00 -1.21 0.00 0.00 43.02 41.42 3fi0 s PHE 78 CO -0.08 -0.60 0.52 0.42 -1.34 0.00 0.00 175.22 174.14 3fi0 s ILE 79 N -3.96 5.07 0.29 -4.49 1.01 -1.26 -1.04 121.20 116.82 3fi0 s ILE 79 Ca 0.15 0.92 0.00 0.00 0.00 0.00 0.00 60.65 61.72 3fi0 s ILE 79 Cb 0.05 -3.84 0.34 0.00 0.01 0.00 0.00 42.46 39.02 3fi0 s ILE 79 CO -0.03 0.11 1.61 -0.61 0.00 0.00 0.00 174.94 176.02 3fi0 h GLN 80 N 7.85 0.10 0.00 2.79 4.15 -1.34 -0.61 115.11 128.05 3fi0 h GLN 80 Ca -0.30 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.11 3fi0 h GLN 80 Cb 1.14 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.81 3fi0 h GLN 80 CO 0.73 0.07 0.00 0.66 -1.93 0.00 0.00 178.83 178.35 3fi0 h SER 81 N 0.10 0.00 -0.04 -0.69 4.64 -1.94 -2.52 113.55 113.10 3fi0 h SER 81 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3fi0 h SER 81 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3fi0 h SER 81 CO -0.76 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 174.58 3fi0 n GLU 82 N -2.43 1.41 -3.92 4.77 1.02 -0.24 -4.47 120.64 116.79 3fi0 n GLU 82 Ca 0.01 -0.61 -0.30 0.00 -0.02 0.00 0.00 57.16 56.24 3fi0 n GLU 82 Cb 0.19 -1.44 -0.15 0.00 -0.02 0.00 0.00 31.44 30.02 3fi0 n GLU 82 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3fi0 s VAL 83 N -1.96 1.62 0.05 2.62 1.01 -0.95 -4.95 120.40 117.85 3fi0 s VAL 83 Ca 0.38 -1.63 0.32 0.00 0.00 0.00 0.00 61.98 61.04 3fi0 s VAL 83 Cb 0.19 -2.06 0.37 0.00 0.00 0.00 0.00 36.38 34.89 3fi0 s VAL 83 CO 0.31 -0.40 1.93 -0.65 0.00 0.00 0.00 175.10 176.30 3fi0 h PRO 84 N 7.87 0.00 -0.43 2.72 0.11 -1.81 -3.01 132.00 137.44 3fi0 h PRO 84 Ca -0.12 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.11 3fi0 h PRO 84 Cb 1.04 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3fi0 h PRO 84 CO 0.46 0.02 0.38 0.00 -0.21 0.00 0.00 178.00 178.65 3fi0 h ALA 85 N 1.98 2.24 0.03 -0.75 0.00 -1.93 -1.05 119.26 119.78 3fi0 h ALA 85 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3fi0 h ALA 85 Cb 0.58 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3fi0 h ALA 85 CO 0.00 -0.60 -0.01 0.45 0.00 0.00 0.00 179.25 179.09 3fi0 h HIS 86 N 0.00 -0.03 -0.00 0.00 3.86 -1.85 0.37 115.15 117.49 3fi0 h HIS 86 Ca 0.21 -0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.27 3fi0 h HIS 86 Cb 0.96 0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.43 3fi0 h HIS 86 CO 0.00 0.10 -0.68 0.00 0.86 0.00 0.00 177.93 178.22 3fi0 h ALA 87 N 0.80 0.87 0.57 2.45 0.00 -1.45 -2.15 119.26 120.35 3fi0 h ALA 87 Ca -0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 3fi0 h ALA 87 Cb 0.15 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.84 3fi0 h ALA 87 CO 0.01 0.84 -0.27 1.96 0.00 0.00 0.00 179.25 181.78 3fi0 h GLN 88 N 0.02 -0.74 -0.53 0.00 4.20 -1.16 -3.00 115.11 113.91 3fi0 h GLN 88 Ca -0.01 0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.81 3fi0 h GLN 88 Cb 1.20 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 29.12 3fi0 h GLN 88 CO 0.09 -0.46 0.35 0.00 -0.67 0.00 0.00 178.83 178.14 3fi0 h ALA 89 N -1.09 1.85 0.00 3.87 0.00 -1.01 -1.64 119.26 121.24 3fi0 h ALA 89 Ca -0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3fi0 h ALA 89 Cb 0.61 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3fi0 h ALA 89 CO 0.13 0.07 -0.11 0.00 0.00 0.00 0.00 179.25 179.33 3fi0 h ALA 90 N 1.71 1.42 0.00 0.00 0.00 -1.39 -2.97 119.26 118.03 3fi0 h ALA 90 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3fi0 h ALA 90 Cb 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3fi0 h ALA 90 CO -0.06 0.14 0.00 1.87 0.00 0.00 0.00 179.25 181.20 3fi0 n TRP 91 N -3.84 0.00 0.00 0.00 -0.00 -0.62 -2.87 117.44 110.11 3fi0 n TRP 91 Ca -0.02 -0.44 0.00 0.00 -0.00 0.00 0.00 57.50 57.04 3fi0 n TRP 91 Cb 0.21 -0.25 0.00 0.00 -0.00 0.00 0.00 31.31 31.28 3fi0 n TRP 91 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 3fi0 n LEU 93 N 0.77 0.00 0.14 5.87 4.77 -1.12 -2.75 117.00 124.68 3fi0 n LEU 93 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 3fi0 n LEU 93 Cb 0.38 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.93 3fi0 n LEU 93 CO 0.00 0.00 0.99 1.56 -1.33 0.00 0.00 177.39 178.61 3fi0 h GLN 94 N 0.00 0.23 0.00 3.23 4.20 -1.83 0.66 115.11 121.59 3fi0 h GLN 94 Ca 0.00 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 3fi0 h GLN 94 Cb 0.00 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3fi0 h GLN 94 CO 0.00 0.27 -0.25 0.00 -0.67 0.00 0.00 178.83 178.18 3fi0 n ILE 96 N -3.13 0.06 -2.76 0.00 -5.35 -1.15 -4.92 119.36 102.11 3fi0 n ILE 96 Ca 0.03 -0.13 -0.41 0.00 -0.27 0.00 0.00 62.75 61.97 3fi0 n ILE 96 Cb 0.62 0.49 -0.04 0.00 -1.74 0.00 0.00 39.64 38.97 3fi0 n ILE 96 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3fi0 s VAL 97 N -3.11 4.78 0.54 7.28 0.11 0.23 -5.06 120.40 125.16 3fi0 s VAL 97 Ca 0.06 1.98 -0.12 0.00 -2.93 0.00 0.00 61.98 60.97 3fi0 s VAL 97 Cb 0.16 -4.28 -0.05 0.00 -1.53 0.00 0.00 36.38 30.67 3fi0 s VAL 97 CO 0.82 0.22 0.95 -0.31 -3.33 0.00 0.00 175.10 173.45 3fi0 s TYR 98 N 0.65 3.54 0.15 1.54 2.02 -1.26 -4.83 117.35 119.16 3fi0 s TYR 98 Ca 0.48 1.25 -0.06 0.00 -0.37 0.00 0.00 57.07 58.37 3fi0 s TYR 98 Cb -0.21 -2.65 -0.01 0.00 -0.40 0.00 0.00 41.96 38.69 3fi0 s TYR 98 CO 0.27 -0.45 1.40 0.82 -1.57 0.00 0.00 175.55 176.02 3fi0 h ILE 99 N 0.34 1.33 -0.66 2.71 2.04 -1.97 -3.18 117.51 118.12 3fi0 h ILE 99 Ca -0.46 -2.03 0.00 0.00 1.00 0.00 0.00 64.86 63.37 3fi0 h ILE 99 Cb 1.19 2.01 -0.03 0.00 -0.74 0.00 0.00 36.82 39.25 3fi0 h ILE 99 CO 0.62 0.63 0.42 1.23 0.00 0.00 0.00 178.15 181.05 3fi0 h GLY 100 N 0.99 0.94 1.06 5.37 0.00 -1.99 -1.43 103.07 108.00 3fi0 h GLY 100 Ca -0.03 -0.36 -0.13 0.00 0.00 0.00 0.00 47.33 46.81 3fi0 h GLY 100 CO 0.14 0.35 -0.25 0.83 0.00 0.00 0.00 176.54 177.61 3fi0 h GLU 101 N 0.90 0.88 -0.36 4.80 5.08 -1.96 -1.80 114.58 122.12 3fi0 h GLU 101 Ca 0.24 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 3fi0 h GLU 101 Cb -0.07 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3fi0 h GLU 101 CO -0.05 1.06 0.10 -0.07 -1.00 0.00 0.00 179.01 179.04 3fi0 h LEU 102 N 0.69 0.53 -0.81 1.33 3.38 -1.43 -3.00 115.31 116.00 3fi0 h LEU 102 Ca 0.08 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 3fi0 h LEU 102 Cb 0.82 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3fi0 h LEU 102 CO 0.07 0.62 0.13 -0.33 0.09 0.00 0.00 178.44 179.01 3fi0 h GLU 103 N 0.43 1.02 -5.22 1.13 5.08 -1.27 -3.46 114.58 112.29 3fi0 h GLU 103 Ca 0.11 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 3fi0 h GLU 103 Cb 0.29 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3fi0 h GLU 103 CO -0.00 0.92 0.36 0.54 -1.00 0.00 0.00 179.01 179.83 3fi0 n ARG 104 N -4.23 0.36 -0.01 2.33 1.74 -0.68 -5.03 116.66 111.13 3fi0 n ARG 104 Ca 0.04 -0.85 -0.03 0.00 -0.77 0.00 0.00 57.85 56.24 3fi0 n ARG 104 Cb 0.27 -3.21 -0.01 0.00 -1.02 0.00 0.00 32.46 28.48 3fi0 n ARG 104 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3fi0 n THR 106 N 8.16 1.05 0.00 0.55 -1.04 -1.26 -5.09 114.28 116.64 3fi0 n THR 106 Ca 0.47 0.27 0.00 0.00 -2.04 0.00 0.00 64.05 62.75 3fi0 n THR 106 Cb 0.40 -1.77 0.00 0.00 -1.82 0.00 0.00 70.33 67.14 3fi0 n THR 106 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fi0 n GLN 107 N -3.60 2.82 0.00 -2.82 3.00 -1.26 -5.28 117.38 110.24 3fi0 n GLN 107 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 3fi0 n GLN 107 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.42 3fi0 n GLN 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3fi0 n VAL 118 N 0.00 0.00 -1.67 5.09 0.31 -1.26 -5.17 118.33 115.64 3fi0 n VAL 118 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 3fi0 n VAL 118 Cb 0.00 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3fi0 n VAL 118 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3fi0 n SER 119 N 0.00 2.23 0.22 4.52 3.41 -1.26 -4.86 113.62 117.89 3fi0 n SER 119 Ca 0.00 1.16 0.15 0.00 -0.26 0.00 0.00 58.87 59.92 3fi0 n SER 119 Cb 0.00 -1.43 0.56 0.00 -0.26 0.00 0.00 64.21 63.08 3fi0 n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fi0 h ALA 120 N 2.20 1.00 -0.13 7.33 0.00 -2.01 -2.27 119.26 125.37 3fi0 h ALA 120 Ca -0.45 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.50 3fi0 h ALA 120 Cb 1.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3fi0 h ALA 120 CO 0.61 0.00 0.11 0.78 0.00 0.00 0.00 179.25 180.74 3fi0 h GLY 121 N 2.49 0.00 2.00 0.00 0.00 -1.89 -0.07 103.07 105.60 3fi0 h GLY 121 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fi0 h GLY 121 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 3fi0 n LEU 122 N -4.32 0.03 -0.01 3.11 7.99 -0.85 -2.37 117.00 120.57 3fi0 n LEU 122 Ca 0.00 0.51 -0.01 0.00 -0.01 0.00 0.00 56.01 56.50 3fi0 n LEU 122 Cb 0.23 -0.50 -0.02 0.00 -0.11 0.00 0.00 43.42 43.01 3fi0 n LEU 122 CO 0.33 -0.26 -0.59 -0.11 -1.51 0.00 0.00 177.39 175.25 3fi0 n LEU 123 N -1.53 0.43 -1.07 2.23 7.94 -0.19 -4.71 117.00 120.09 3fi0 n LEU 123 Ca 0.04 -0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.04 3fi0 n LEU 123 Cb 0.18 0.04 0.21 0.00 0.53 0.00 0.00 43.42 44.37 3fi0 n LEU 123 CO 0.14 0.13 0.68 0.35 -1.11 0.00 0.00 177.39 177.59 3fi0 n THR 124 N -2.17 0.56 0.37 1.96 -2.24 -0.34 -4.48 114.28 107.94 3fi0 n THR 124 Ca -0.04 -0.78 0.14 0.00 -2.27 0.00 0.00 64.05 61.09 3fi0 n THR 124 Cb 0.58 0.92 0.55 0.00 -2.10 0.00 0.00 70.33 70.27 3fi0 n THR 124 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 3fi0 h TYR 125 N 4.06 0.00 -0.04 4.78 -0.00 -1.72 -3.29 116.97 120.76 3fi0 h TYR 125 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.65 3fi0 h TYR 125 Cb 0.93 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.65 3fi0 h TYR 125 CO 0.25 0.00 -0.33 -1.35 -0.00 0.00 0.00 178.16 176.73 3fi0 h PRO 126 N 0.00 0.08 0.00 0.10 0.11 -1.88 -2.66 132.00 127.76 3fi0 h PRO 126 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3fi0 h PRO 126 Cb 0.44 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.55 3fi0 h PRO 126 CO 0.00 0.41 0.00 -1.35 -0.21 0.00 0.00 178.00 176.85 3fi0 h PRO 127 N 0.08 0.00 -1.02 1.05 0.11 -1.90 -1.85 132.00 128.47 3fi0 h PRO 127 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3fi0 h PRO 127 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 3fi0 h PRO 127 CO 0.05 0.00 0.00 -0.11 -0.21 0.00 0.00 178.00 177.73 3fi0 n LEU 128 N -2.61 2.13 0.00 2.35 7.94 -1.00 -1.54 117.00 124.26 3fi0 n LEU 128 Ca 0.04 -1.06 0.00 0.00 -1.11 0.00 0.00 56.01 53.88 3fi0 n LEU 128 Cb 0.44 -0.47 0.00 0.00 0.53 0.00 0.00 43.42 43.92 3fi0 n LEU 128 CO 0.30 0.38 0.00 0.00 -1.11 0.00 0.00 177.39 176.97 3fi0 n ALA 130 N 0.35 0.00 -0.09 1.96 0.00 -0.70 -1.04 120.51 121.00 3fi0 n ALA 130 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3fi0 n ALA 130 Cb 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.83 3fi0 n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fi0 h ALA 131 N 0.00 0.21 -0.99 0.00 0.00 -1.56 0.46 119.26 117.38 3fi0 h ALA 131 Ca 0.00 0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.16 3fi0 h ALA 131 Cb 0.00 0.25 -0.14 0.00 0.00 0.00 0.00 17.79 17.90 3fi0 h ALA 131 CO 0.00 -0.46 -0.49 -0.25 0.00 0.00 0.00 179.25 178.05 3fi0 n ASP 132 N -5.27 -0.86 0.20 0.00 8.00 -0.21 -0.58 116.55 117.84 3fi0 n ASP 132 Ca 0.00 1.75 -0.09 0.00 0.71 0.00 0.00 54.79 57.17 3fi0 n ASP 132 Cb 0.18 -0.31 -0.04 0.00 -0.02 0.00 0.00 41.12 40.93 3fi0 n ASP 132 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3fi0 h ILE 133 N 0.00 0.00 -0.92 0.53 2.04 -1.57 -3.33 117.51 114.26 3fi0 h ILE 133 Ca 0.25 -0.36 0.24 0.00 1.00 0.00 0.00 64.86 65.99 3fi0 h ILE 133 Cb 0.50 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.53 3fi0 h ILE 133 CO -0.96 0.00 0.64 -0.07 0.00 0.00 0.00 178.15 177.76 3fi0 h LEU 134 N -0.92 0.18 -1.78 1.44 3.38 0.15 -2.52 115.31 115.24 3fi0 h LEU 134 Ca -0.06 0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.12 3fi0 h LEU 134 Cb 0.43 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3fi0 h LEU 134 CO 0.09 0.06 0.52 -0.07 0.09 0.00 0.00 178.44 179.14 3fi0 h LEU 135 N 0.17 0.19 -3.03 1.67 3.38 -0.95 -2.62 115.31 114.12 3fi0 h LEU 135 Ca 0.46 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3fi0 h LEU 135 Cb 1.53 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.26 3fi0 h LEU 135 CO -0.09 0.09 0.00 -1.22 0.09 0.00 0.00 178.44 177.31 3fi0 n TYR 136 N -4.41 0.94 -3.86 1.13 4.01 -0.95 -4.39 117.16 109.63 3fi0 n TYR 136 Ca 0.15 -0.61 -0.27 0.00 -0.16 0.00 0.00 57.90 57.01 3fi0 n TYR 136 Cb 0.69 -0.15 0.02 0.00 -0.31 0.00 0.00 39.34 39.59 3fi0 n TYR 136 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3fi0 n ASN 137 N 0.61 -2.85 -4.75 7.72 4.13 -0.99 -4.89 115.26 114.25 3fi0 n ASN 137 Ca 0.19 -0.83 -0.40 0.00 1.68 0.00 0.00 54.58 55.22 3fi0 n ASN 137 Cb 0.69 -3.80 -0.05 0.00 -1.54 0.00 0.00 39.78 35.08 3fi0 n ASN 137 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3fi0 s THR 138 N -3.51 3.84 -0.12 3.41 -4.23 -1.25 -4.64 115.64 109.13 3fi0 s THR 138 Ca 0.35 1.76 -0.02 0.00 -1.18 0.00 0.00 61.69 62.59 3fi0 s THR 138 Cb -0.17 -4.12 -0.25 0.00 1.34 0.00 0.00 72.50 69.30 3fi0 s THR 138 CO 0.84 0.38 0.38 0.47 -0.54 0.00 0.00 174.62 176.14 3fi0 n ASP 139 N 1.69 1.85 -4.03 3.99 8.00 0.65 -4.06 116.55 124.63 3fi0 n ASP 139 Ca -0.00 0.22 -0.17 0.00 0.71 0.00 0.00 54.79 55.55 3fi0 n ASP 139 Cb 0.46 -0.65 -0.14 0.00 -0.02 0.00 0.00 41.12 40.77 3fi0 n ASP 139 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3fi0 s ILE 140 N -2.56 0.66 -0.20 0.53 2.07 -1.01 -1.54 121.20 119.16 3fi0 s ILE 140 Ca -0.20 -0.60 0.01 0.00 -1.41 0.00 0.00 60.65 58.45 3fi0 s ILE 140 Cb 0.07 -0.60 0.03 0.00 0.13 0.00 0.00 42.46 42.09 3fi0 s ILE 140 CO 0.77 0.01 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.98 3fi0 s VAL 141 N -0.56 1.88 -1.23 4.00 1.01 0.50 -3.00 120.40 123.00 3fi0 s VAL 141 Ca -0.00 -1.04 -0.20 0.00 0.00 0.00 0.00 61.98 60.74 3fi0 s VAL 141 Cb -0.05 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.50 3fi0 s VAL 141 CO 0.00 0.31 1.79 -2.16 0.00 0.00 0.00 175.10 175.05 3fi0 s PRO 142 N 1.32 3.42 0.28 2.72 0.04 -1.26 -1.68 135.00 139.83 3fi0 s PRO 142 Ca 0.01 -1.61 0.08 0.00 0.04 0.00 0.00 61.00 59.52 3fi0 s PRO 142 Cb -0.15 -5.41 -0.06 0.00 0.04 0.00 0.00 34.50 28.92 3fi0 s PRO 142 CO -0.10 -2.86 -0.10 0.14 0.04 0.00 0.00 177.00 174.11 3fi0 s VAL 143 N 6.72 1.90 0.22 -0.36 -7.23 -1.26 -4.84 120.40 115.56 3fi0 s VAL 143 Ca 0.59 -2.20 -0.03 0.00 -1.81 0.00 0.00 61.98 58.53 3fi0 s VAL 143 Cb 0.02 -2.39 0.05 0.00 0.56 0.00 0.00 36.38 34.62 3fi0 s VAL 143 CO 0.08 -0.35 0.30 0.61 -0.31 0.00 0.00 175.10 175.43 3fi0 n GLY 144 N -0.59 -0.82 0.18 2.32 0.00 -1.26 -4.59 105.19 100.43 3fi0 n GLY 144 Ca -0.06 -1.74 0.02 0.00 0.00 0.00 0.00 46.02 44.25 3fi0 n GLY 144 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fi0 h GLU 145 N 0.00 0.00 0.00 1.61 4.39 -2.01 -2.72 114.58 115.86 3fi0 h GLU 145 Ca -0.10 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 3fi0 h GLU 145 Cb 0.29 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3fi0 h GLU 145 CO 0.08 0.38 -0.06 0.38 -1.16 0.00 0.00 179.01 178.63 3fi0 h ASP 146 N 0.00 0.00 0.02 1.42 2.03 -2.05 -2.18 116.42 115.66 3fi0 h ASP 146 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3fi0 h ASP 146 Cb 0.68 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.18 3fi0 h ASP 146 CO 0.05 0.06 -0.87 0.00 -1.03 0.00 0.00 179.24 177.45 3fi0 n GLN 147 N -3.67 0.24 -0.32 4.15 1.13 -1.03 -4.53 117.38 113.35 3fi0 n GLN 147 Ca -0.02 -0.20 0.15 0.00 -1.94 0.00 0.00 57.00 54.99 3fi0 n GLN 147 Cb 0.16 -1.50 0.30 0.00 0.11 0.00 0.00 30.24 29.31 3fi0 n GLN 147 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 3fi0 n LYS 148 N -1.21 -0.07 0.04 -1.09 4.81 -0.82 0.75 118.16 120.57 3fi0 n LYS 148 Ca 0.05 1.38 -0.05 0.00 -0.87 0.00 0.00 58.31 58.82 3fi0 n LYS 148 Cb 0.36 -2.22 0.15 0.00 0.02 0.00 0.00 35.03 33.34 3fi0 n LYS 148 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 3fi0 h GLN 149 N 0.00 0.41 -0.19 1.64 4.15 -1.79 -2.09 115.11 117.24 3fi0 h GLN 149 Ca 0.58 -0.21 -0.12 0.00 0.77 0.00 0.00 58.65 59.67 3fi0 h GLN 149 Cb 1.24 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 3fi0 h GLN 149 CO -0.86 0.77 -0.38 0.45 -1.93 0.00 0.00 178.83 176.89 3fi0 h HIS 150 N 0.34 0.49 -0.16 3.99 3.86 0.04 -2.88 115.15 120.82 3fi0 h HIS 150 Ca 0.03 -0.13 -0.08 0.00 -1.16 0.00 0.00 60.37 59.03 3fi0 h HIS 150 Cb 0.90 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 29.26 3fi0 h HIS 150 CO 0.03 0.74 -0.20 0.82 0.86 0.00 0.00 177.93 180.18 3fi0 h ILE 151 N 0.35 1.35 -0.80 2.45 1.08 -1.06 -2.41 117.51 118.47 3fi0 h ILE 151 Ca 0.04 -1.39 0.12 0.00 -0.39 0.00 0.00 64.86 63.23 3fi0 h ILE 151 Cb 0.82 1.87 -0.08 0.00 -3.07 0.00 0.00 36.82 36.36 3fi0 h ILE 151 CO 0.07 0.41 0.42 -0.33 -0.69 0.00 0.00 178.15 178.03 3fi0 h GLU 152 N 0.06 0.64 -0.04 2.37 5.08 -1.34 -1.07 114.58 120.28 3fi0 h GLU 152 Ca 0.02 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3fi0 h GLU 152 Cb 0.75 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 3fi0 h GLU 152 CO 0.05 0.43 0.02 1.25 -1.00 0.00 0.00 179.01 179.75 3fi0 h LEU 153 N 0.66 0.06 -1.92 1.33 5.85 -1.43 -1.27 115.31 118.60 3fi0 h LEU 153 Ca 0.41 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 3fi0 h LEU 153 Cb 0.49 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 3fi0 h LEU 153 CO -0.30 0.19 -0.12 0.00 -0.34 0.00 0.00 178.44 177.87 3fi0 h THR 154 N -0.08 0.67 0.00 1.05 1.03 -0.88 0.01 112.91 114.71 3fi0 h THR 154 Ca 0.01 -0.50 -0.15 0.00 -0.01 0.00 0.00 66.41 65.76 3fi0 h THR 154 Cb 0.15 1.31 -0.02 0.00 -1.07 0.00 0.00 68.15 68.52 3fi0 h THR 154 CO -0.00 0.12 -0.72 0.03 -0.01 0.00 0.00 175.52 174.93 3fi0 h ARG 155 N 0.00 0.00 0.11 0.00 3.08 -0.91 -2.12 114.38 114.55 3fi0 h ARG 155 Ca -0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 3fi0 h ARG 155 Cb 0.30 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.37 3fi0 h ARG 155 CO 0.02 0.72 -0.91 -0.44 -1.07 0.00 0.00 179.97 178.28 3fi0 h ASP 156 N 0.00 0.62 -0.88 7.04 3.32 -0.35 -2.15 116.42 124.02 3fi0 h ASP 156 Ca -0.01 -0.87 0.01 0.00 0.02 0.00 0.00 57.03 56.18 3fi0 h ASP 156 Cb 1.51 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.82 3fi0 h ASP 156 CO 0.09 1.43 0.58 -0.07 -1.72 0.00 0.00 179.24 179.55 3fi0 h LEU 157 N -0.10 1.01 0.23 1.55 3.38 -1.06 0.46 115.31 120.80 3fi0 h LEU 157 Ca -0.14 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3fi0 h LEU 157 Cb 1.66 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.16 3fi0 h LEU 157 CO 0.17 0.74 -0.11 0.00 0.09 0.00 0.00 178.44 179.33 3fi0 h ALA 158 N 1.32 -0.31 -0.92 1.53 0.00 -1.44 0.21 119.26 119.64 3fi0 h ALA 158 Ca 0.32 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 55.26 3fi0 h ALA 158 Cb -0.13 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 3fi0 h ALA 158 CO -0.07 -0.48 0.62 1.49 0.00 0.00 0.00 179.25 180.81 3fi0 h GLU 159 N -0.71 0.33 0.00 0.00 4.57 -1.25 0.26 114.58 117.77 3fi0 h GLU 159 Ca -0.03 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.02 3fi0 h GLU 159 Cb 0.49 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 3fi0 h GLU 159 CO 0.05 0.22 -0.90 -0.09 -1.18 0.00 0.00 179.01 177.11 3fi0 h ARG 160 N 0.34 0.00 0.06 1.92 2.43 0.26 -2.64 114.38 116.76 3fi0 h ARG 160 Ca 0.48 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 59.38 3fi0 h ARG 160 Cb 1.31 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.84 3fi0 h ARG 160 CO -0.17 0.32 -1.36 0.35 -1.51 0.00 0.00 179.97 177.61 3fi0 h PHE 161 N 0.00 0.25 -0.21 2.20 3.57 0.09 -3.33 116.94 119.50 3fi0 h PHE 161 Ca -0.07 -0.18 -0.17 0.00 3.53 0.00 0.00 57.97 61.08 3fi0 h PHE 161 Cb 1.40 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 40.12 3fi0 h PHE 161 CO 0.00 1.19 -0.56 -0.91 -2.23 0.00 0.00 178.31 175.80 3fi0 h ASN 162 N 0.04 0.71 0.00 0.41 2.35 -0.50 -2.06 115.58 116.52 3fi0 h ASN 162 Ca -0.16 -0.38 -0.13 0.00 -0.55 0.00 0.00 56.30 55.07 3fi0 h ASN 162 Cb 1.93 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 40.09 3fi0 h ASN 162 CO 0.14 1.12 -0.41 0.11 -1.65 0.00 0.00 177.43 176.75 3fi0 h LYS 163 N 0.49 0.52 0.28 0.81 1.57 -1.64 0.15 116.57 118.74 3fi0 h LYS 163 Ca 0.01 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 3fi0 h LYS 163 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3fi0 h LYS 163 CO 0.11 0.84 -0.13 -0.09 -0.57 0.00 0.00 179.45 179.60 3fi0 h ARG 164 N 0.43 -0.36 0.00 3.15 1.12 -1.66 -3.40 114.38 113.66 3fi0 h ARG 164 Ca 0.04 0.02 -0.15 0.00 -1.11 0.00 0.00 59.98 58.78 3fi0 h ARG 164 Cb 0.90 0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 30.91 3fi0 h ARG 164 CO 0.08 -0.24 -1.29 1.88 -3.11 0.00 0.00 179.97 177.28 3fi0 h TYR 165 N -0.89 0.00 0.00 2.20 -1.99 -1.48 -3.51 116.97 111.30 3fi0 h TYR 165 Ca -0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.69 3fi0 h TYR 165 Cb 0.28 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.01 3fi0 h TYR 165 CO 0.02 0.54 0.00 0.41 -0.00 0.00 0.00 178.16 179.13 3fi0 n GLY 166 N 1.37 3.25 3.56 3.88 0.00 0.53 -5.01 105.19 112.78 3fi0 n GLY 166 Ca -0.08 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 43.64 3fi0 n GLY 166 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fi0 s GLU 167 N -3.27 2.50 -0.07 1.61 2.56 -1.22 -4.38 118.70 116.43 3fi0 s GLU 167 Ca 0.00 1.35 -0.01 0.00 0.00 0.00 0.00 54.97 56.30 3fi0 s GLU 167 Cb 0.00 -4.47 -0.04 0.00 2.00 0.00 0.00 34.13 31.62 3fi0 s GLU 167 CO 0.00 -2.83 -0.07 1.28 -0.56 0.00 0.00 175.26 173.08 3fi0 n LEU 168 N 14.00 1.88 -4.85 2.70 4.77 -1.26 -5.06 117.00 129.18 3fi0 n LEU 168 Ca 0.31 0.02 -0.33 0.00 -0.03 0.00 0.00 56.01 55.97 3fi0 n LEU 168 Cb 0.52 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 3fi0 n LEU 168 CO 0.70 0.40 0.31 -0.36 -1.33 0.00 0.00 177.39 177.11 3fi0 s PHE 169 N -2.13 3.48 0.15 -1.77 0.08 -1.26 -4.99 117.98 111.54 3fi0 s PHE 169 Ca -0.09 1.08 -0.18 0.00 0.12 0.00 0.00 56.93 57.86 3fi0 s PHE 169 Cb 0.03 -2.41 -0.07 0.00 -0.57 0.00 0.00 43.02 40.00 3fi0 s PHE 169 CO 0.14 0.26 0.62 0.99 -0.10 0.00 0.00 175.22 177.12 3fi0 s THR 170 N -1.75 4.72 -0.36 0.64 2.01 -1.26 -5.00 115.64 114.63 3fi0 s THR 170 Ca 0.47 1.11 -0.22 0.00 0.31 0.00 0.00 61.69 63.36 3fi0 s THR 170 Cb -0.12 -3.83 0.01 0.00 0.01 0.00 0.00 72.50 68.56 3fi0 s THR 170 CO 0.20 0.32 0.70 -0.63 -0.69 0.00 0.00 174.62 174.52 3fi0 s ILE 171 N -1.38 4.82 0.80 1.82 1.09 -1.26 -4.82 121.20 122.27 3fi0 s ILE 171 Ca 0.37 0.72 -0.12 0.00 -1.10 0.00 0.00 60.65 60.52 3fi0 s ILE 171 Cb -0.17 -4.13 0.07 0.00 -1.06 0.00 0.00 42.46 37.17 3fi0 s ILE 171 CO 0.20 -0.37 1.13 -2.16 -0.10 0.00 0.00 174.94 173.65 3fi0 s PRO 172 N 2.88 2.09 0.00 2.79 0.04 -1.26 -4.85 135.00 136.68 3fi0 s PRO 172 Ca 0.27 0.34 -0.12 0.00 0.04 0.00 0.00 61.00 61.53 3fi0 s PRO 172 Cb -0.14 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.47 3fi0 s PRO 172 CO 0.16 -1.55 0.24 -1.83 0.04 0.00 0.00 177.00 174.06 3fi0 s GLU 173 N -5.39 0.63 -0.51 4.56 -1.05 -0.59 -4.91 118.70 111.45 3fi0 s GLU 173 Ca 0.61 -0.33 -0.05 0.00 -0.15 0.00 0.00 54.97 55.05 3fi0 s GLU 173 Cb -0.12 0.27 0.13 0.00 -0.44 0.00 0.00 34.13 33.97 3fi0 s GLU 173 CO 0.51 -0.17 0.33 0.00 0.95 0.00 0.00 175.26 176.88 3fi0 s ALA 174 N -1.60 3.38 -0.29 -0.84 0.00 -1.26 0.19 121.76 121.34 3fi0 s ALA 174 Ca -0.12 -2.80 -0.14 0.00 0.00 0.00 0.00 51.96 48.90 3fi0 s ALA 174 Cb -0.05 -2.62 0.11 0.00 0.00 0.00 0.00 23.12 20.55 3fi0 s ALA 174 CO 0.02 -1.94 0.73 -0.98 0.00 0.00 0.00 175.76 173.59 3fi0 s ARG 175 N 0.77 0.61 -0.23 0.00 1.70 -0.68 -4.79 118.95 116.33 3fi0 s ARG 175 Ca 0.11 1.20 -0.18 0.00 -0.47 0.00 0.00 55.73 56.39 3fi0 s ARG 175 Cb -0.22 0.36 -0.03 0.00 -0.57 0.00 0.00 34.95 34.49 3fi0 s ARG 175 CO -0.03 -0.15 0.50 -1.50 -1.08 0.00 0.00 175.30 173.03 3fi0 s ILE 176 N 2.01 5.10 0.49 4.99 1.10 -1.26 -4.27 121.20 129.36 3fi0 s ILE 176 Ca -0.08 0.89 -0.20 0.00 -0.51 0.00 0.00 60.65 60.74 3fi0 s ILE 176 Cb -0.07 -3.82 -0.08 0.00 0.15 0.00 0.00 42.46 38.64 3fi0 s ILE 176 CO -0.19 0.14 1.06 -2.84 -2.11 0.00 0.00 174.94 170.99 3fi0 s PRO 177 N 1.95 3.74 -1.26 3.50 0.02 -1.26 -3.01 135.00 138.68 3fi0 s PRO 177 Ca 0.22 1.42 -0.14 0.00 0.02 0.00 0.00 61.00 62.51 3fi0 s PRO 177 Cb -0.15 -2.10 0.13 0.00 0.02 0.00 0.00 34.50 32.40 3fi0 s PRO 177 CO 0.09 -0.49 0.44 1.63 -0.33 0.00 0.00 177.00 178.34 3fi0 n LYS 178 N -0.98 -2.15 -1.58 5.54 4.76 -1.26 -4.78 118.16 117.72 3fi0 n LYS 178 Ca 0.09 0.21 -0.50 0.00 -2.87 0.00 0.00 58.31 55.25 3fi0 n LYS 178 Cb 0.52 -4.82 -0.05 0.00 -1.84 0.00 0.00 35.03 28.85 3fi0 n LYS 178 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 3fi0 n VAL 179 N -3.68 0.69 -2.84 -0.18 3.14 -1.16 -4.90 118.33 109.40 3fi0 n VAL 179 Ca 0.05 -0.17 -0.20 0.00 -2.96 0.00 0.00 64.34 61.06 3fi0 n VAL 179 Cb 0.49 -0.81 0.09 0.00 -1.06 0.00 0.00 33.84 32.54 3fi0 n VAL 179 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3fi0 n GLY 180 N 2.11 1.38 3.71 7.55 0.00 -1.05 -5.08 105.19 113.81 3fi0 n GLY 180 Ca 0.16 -2.13 -0.32 0.00 0.00 0.00 0.00 46.02 43.72 3fi0 n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fi0 s ALA 181 N -2.88 1.84 -0.42 4.61 0.00 -1.26 -4.80 121.76 118.85 3fi0 s ALA 181 Ca 0.59 0.64 -0.22 0.00 0.00 0.00 0.00 51.96 52.97 3fi0 s ALA 181 Cb -0.04 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.67 3fi0 s ALA 181 CO 0.39 -2.27 0.72 0.50 0.00 0.00 0.00 175.76 175.10 3fi0 s ARG 182 N -4.43 3.45 0.73 0.00 3.52 -1.26 -4.38 118.95 116.57 3fi0 s ARG 182 Ca 0.68 -0.11 -0.07 0.00 -0.13 0.00 0.00 55.73 56.10 3fi0 s ARG 182 Cb -0.24 -3.91 0.08 0.00 -1.56 0.00 0.00 34.95 29.32 3fi0 s ARG 182 CO 0.53 -1.00 1.04 0.42 -0.81 0.00 0.00 175.30 175.48 3fi0 s ILE 183 N 3.05 2.24 0.03 4.11 -1.09 -1.26 -5.05 121.20 123.23 3fi0 s ILE 183 Ca 0.27 -0.29 -0.01 0.00 -2.23 0.00 0.00 60.65 58.40 3fi0 s ILE 183 Cb -0.13 -2.96 -0.04 0.00 -1.58 0.00 0.00 42.46 37.75 3fi0 s ILE 183 CO 0.20 0.00 0.19 -0.55 -1.23 0.00 0.00 174.94 173.55 3fi0 s SER 185 N -4.57 6.30 0.13 3.58 0.15 0.24 -4.67 113.70 114.85 3fi0 s SER 185 Ca 0.62 0.28 0.27 0.00 0.70 0.00 0.00 55.95 57.82 3fi0 s SER 185 Cb -0.10 -1.94 0.91 0.00 -1.71 0.00 0.00 66.02 63.19 3fi0 s SER 185 CO 0.45 0.21 1.79 0.18 1.20 0.00 0.00 173.24 177.07 3fi0 n LEU 186 N 0.56 0.53 -0.06 3.45 4.77 -0.08 -2.60 117.00 123.57 3fi0 n LEU 186 Ca -0.08 0.51 -0.07 0.00 -0.03 0.00 0.00 56.01 56.35 3fi0 n LEU 186 Cb 0.52 -0.37 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 3fi0 n LEU 186 CO 0.48 -0.10 -0.90 1.33 -1.33 0.00 0.00 177.39 176.87 3fi0 n VAL 187 N -1.98 0.80 -3.58 4.08 0.24 -1.26 -4.70 118.33 111.93 3fi0 n VAL 187 Ca 0.06 -0.44 -0.41 0.00 -2.04 0.00 0.00 64.34 61.52 3fi0 n VAL 187 Cb 0.40 -0.79 -0.11 0.00 -1.47 0.00 0.00 33.84 31.87 3fi0 n VAL 187 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3fi0 s ASP 188 N -4.69 5.79 0.52 -1.34 -1.08 -1.25 -4.92 116.67 109.70 3fi0 s ASP 188 Ca -0.10 -0.84 0.34 0.00 -0.52 0.00 0.00 52.55 51.43 3fi0 s ASP 188 Cb 0.04 -2.05 1.82 0.00 -1.46 0.00 0.00 42.92 41.27 3fi0 s ASP 188 CO 0.43 -0.35 2.02 1.55 0.52 0.00 0.00 175.17 179.35 3fi0 h PRO 189 N 8.46 0.00 -0.01 4.34 0.13 -1.78 -1.38 132.00 141.75 3fi0 h PRO 189 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3fi0 h PRO 189 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3fi0 h PRO 189 CO 0.67 0.00 -0.47 -2.37 -0.23 0.00 0.00 178.00 175.60 3fi0 n THR 190 N -2.70 0.00 -4.64 1.56 5.66 -1.26 -4.70 114.28 108.20 3fi0 n THR 190 Ca -0.02 -0.27 -0.28 0.00 -3.05 0.00 0.00 64.05 60.43 3fi0 n THR 190 Cb 0.08 1.21 -0.14 0.00 -1.55 0.00 0.00 70.33 69.93 3fi0 n THR 190 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 3fi0 s LYS 191 N -2.30 1.54 0.00 1.09 2.20 -1.22 -5.02 119.74 116.03 3fi0 s LYS 191 Ca 0.15 -1.17 0.00 0.00 -0.36 0.00 0.00 55.97 54.60 3fi0 s LYS 191 Cb 0.16 -1.82 0.00 0.00 -1.51 0.00 0.00 37.83 34.66 3fi0 s LYS 191 CO 0.53 0.45 0.00 1.17 -0.36 0.00 0.00 175.35 177.15 3fi0 n LYS 192 N 1.44 0.00 0.00 4.03 4.81 -1.26 0.79 118.16 127.97 3fi0 n LYS 192 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 3fi0 n LYS 192 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 3fi0 n LYS 192 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3fi0 n SER 194 N 0.00 0.00 0.10 3.14 2.88 -1.26 -4.15 113.62 114.33 3fi0 n SER 194 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 3fi0 n SER 194 Cb 0.00 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 63.90 3fi0 n SER 194 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3fi0 n LYS 195 N -0.82 0.22 -0.16 -1.46 2.85 -1.26 -2.38 118.16 115.15 3fi0 n LYS 195 Ca 0.00 0.25 0.09 0.00 -1.05 0.00 0.00 58.31 57.60 3fi0 n LYS 195 Cb 0.00 -1.79 0.26 0.00 -0.65 0.00 0.00 35.03 32.85 3fi0 n LYS 195 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3fi0 n SER 196 N -2.19 2.13 -4.75 -5.58 7.64 -1.26 -4.91 113.62 104.70 3fi0 n SER 196 Ca 0.05 -1.88 -0.41 0.00 1.01 0.00 0.00 58.87 57.63 3fi0 n SER 196 Cb 0.37 -0.21 -0.02 0.00 -1.01 0.00 0.00 64.21 63.34 3fi0 n SER 196 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3fi0 s ASP 197 N -1.27 6.62 0.59 6.43 -1.08 -1.00 -4.86 116.67 122.10 3fi0 s ASP 197 Ca 0.31 2.74 0.38 0.00 -0.52 0.00 0.00 52.55 55.45 3fi0 s ASP 197 Cb 0.16 -2.63 1.78 0.00 -1.46 0.00 0.00 42.92 40.77 3fi0 s ASP 197 CO 0.23 -0.71 2.13 -0.65 0.52 0.00 0.00 175.17 176.70 3fi0 h PRO 198 N 4.49 0.00 -4.41 4.34 0.11 -1.91 -3.37 132.00 131.25 3fi0 h PRO 198 Ca -0.47 0.00 -0.72 0.00 0.11 0.00 0.00 66.00 64.92 3fi0 h PRO 198 Cb 1.22 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.04 3fi0 h PRO 198 CO 0.74 0.00 -0.45 1.21 -0.21 0.00 0.00 178.00 179.29 3fi0 s ASN 199 N -5.46 5.63 0.52 -2.05 3.04 -1.26 -4.95 114.94 110.41 3fi0 s ASN 199 Ca -0.01 -1.67 0.31 0.00 0.04 0.00 0.00 52.86 51.54 3fi0 s ASN 199 Cb 0.10 -1.98 1.71 0.00 -1.54 0.00 0.00 41.25 39.54 3fi0 s ASN 199 CO 0.49 -0.59 1.95 -0.65 -3.04 0.00 0.00 177.10 175.26 3fi0 h PRO 200 N 8.40 0.00 0.00 0.43 0.11 -1.95 0.33 132.00 139.32 3fi0 h PRO 200 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3fi0 h PRO 200 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3fi0 h PRO 200 CO 0.79 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.21 3fi0 n LYS 201 N -2.67 0.27 0.08 1.05 5.02 -1.26 -3.33 118.16 117.31 3fi0 n LYS 201 Ca -0.02 0.09 -0.02 0.00 -2.02 0.00 0.00 58.31 56.33 3fi0 n LYS 201 Cb 0.15 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.60 3fi0 n LYS 201 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fi0 h ALA 202 N 2.99 0.56 -1.90 7.82 0.00 -1.29 -3.39 119.26 124.05 3fi0 h ALA 202 Ca 0.00 -0.78 -0.53 0.00 0.00 0.00 0.00 54.91 53.60 3fi0 h ALA 202 Cb 0.23 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.88 3fi0 h ALA 202 CO 0.00 0.99 -0.61 1.52 0.00 0.00 0.00 179.25 181.16 3fi0 s TYR 203 N -2.83 2.17 -0.11 0.00 -0.85 -1.21 -0.90 117.35 113.62 3fi0 s TYR 203 Ca 0.01 -0.85 0.02 0.00 -0.52 0.00 0.00 57.07 55.73 3fi0 s TYR 203 Cb 0.09 -1.46 0.01 0.00 0.38 0.00 0.00 41.96 40.98 3fi0 s TYR 203 CO 0.79 0.18 -0.15 0.42 -1.52 0.00 0.00 175.55 175.26 3fi0 s ILE 204 N -3.08 1.50 0.51 -3.49 1.01 -1.26 -4.99 121.20 111.39 3fi0 s ILE 204 Ca 0.36 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 60.32 3fi0 s ILE 204 Cb 0.09 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 3fi0 s ILE 204 CO 0.16 0.44 0.80 -0.89 0.00 0.00 0.00 174.94 175.46 3fi0 s THR 205 N 0.97 4.39 -0.88 2.92 2.01 -1.26 -1.13 115.64 122.66 3fi0 s THR 205 Ca -0.07 0.03 0.25 0.00 0.31 0.00 0.00 61.69 62.21 3fi0 s THR 205 Cb -0.15 -3.68 0.23 0.00 0.01 0.00 0.00 72.50 68.90 3fi0 s THR 205 CO -0.01 -0.65 1.77 0.18 -0.69 0.00 0.00 174.62 175.22 3fi0 n LEU 206 N -2.33 0.26 -0.47 4.42 4.77 -1.26 -2.88 117.00 119.50 3fi0 n LEU 206 Ca 0.02 0.54 0.04 0.00 -0.03 0.00 0.00 56.01 56.57 3fi0 n LEU 206 Cb 0.56 -0.47 0.11 0.00 -2.33 0.00 0.00 43.42 41.30 3fi0 n LEU 206 CO 0.52 -0.16 0.60 0.18 -1.33 0.00 0.00 177.39 177.20 3fi0 n LEU 207 N -1.75 2.69 -4.74 2.23 4.77 -1.26 -4.68 117.00 114.25 3fi0 n LEU 207 Ca 0.05 -2.00 -0.41 0.00 -0.03 0.00 0.00 56.01 53.62 3fi0 n LEU 207 Cb 0.31 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3fi0 n LEU 207 CO 0.24 0.67 0.98 -1.81 -1.33 0.00 0.00 177.39 176.15 3fi0 s ASP 208 N -1.00 6.88 1.05 -1.43 1.01 -1.14 -5.00 116.67 117.04 3fi0 s ASP 208 Ca 0.17 2.45 -0.17 0.00 0.71 0.00 0.00 52.55 55.72 3fi0 s ASP 208 Cb 0.09 -2.62 0.22 0.00 1.01 0.00 0.00 42.92 41.63 3fi0 s ASP 208 CO 0.12 -0.52 1.19 1.51 0.21 0.00 0.00 175.17 177.68 3fi0 s ASP 209 N 0.17 2.27 0.51 0.27 1.47 -1.26 -4.76 116.67 115.34 3fi0 s ASP 209 Ca 0.55 0.57 0.26 0.00 1.18 0.00 0.00 52.55 55.11 3fi0 s ASP 209 Cb -0.37 -0.81 1.36 0.00 -0.34 0.00 0.00 42.92 42.76 3fi0 s ASP 209 CO 0.41 -3.28 2.04 0.00 0.68 0.00 0.00 175.17 175.02 3fi0 h ALA 210 N -2.01 1.30 -0.04 2.11 0.00 -1.97 -1.41 119.26 117.24 3fi0 h ALA 210 Ca -0.46 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 3fi0 h ALA 210 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3fi0 h ALA 210 CO 0.41 0.17 -0.27 -0.22 0.00 0.00 0.00 179.25 179.35 3fi0 h LYS 211 N 0.00 0.25 -0.22 0.00 3.64 -1.98 -2.39 116.57 115.87 3fi0 h LYS 211 Ca -0.00 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 3fi0 h LYS 211 Cb 0.37 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3fi0 h LYS 211 CO 0.02 0.88 0.10 1.15 -2.27 0.00 0.00 179.45 179.33 3fi0 h THR 212 N -0.31 1.15 0.63 1.00 2.02 -1.88 -0.97 112.91 114.55 3fi0 h THR 212 Ca -0.02 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 3fi0 h THR 212 Cb 0.94 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 3fi0 h THR 212 CO 0.05 0.15 -0.45 0.40 0.37 0.00 0.00 175.52 176.05 3fi0 h ILE 213 N 0.22 0.10 -0.90 3.11 2.04 -1.35 0.11 117.51 120.84 3fi0 h ILE 213 Ca 0.08 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.12 3fi0 h ILE 213 Cb 0.15 0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 36.26 3fi0 h ILE 213 CO -0.01 0.00 0.58 -0.08 0.00 0.00 0.00 178.15 178.65 3fi0 h GLU 214 N -1.04 0.50 0.20 2.37 4.81 -1.41 0.36 114.58 120.38 3fi0 h GLU 214 Ca -0.08 -0.03 -0.32 0.00 -0.13 0.00 0.00 59.36 58.80 3fi0 h GLU 214 Cb 0.86 -0.11 0.02 0.00 0.63 0.00 0.00 28.75 30.15 3fi0 h GLU 214 CO 0.04 0.33 -1.44 0.87 -0.73 0.00 0.00 179.01 178.09 3fi0 h LYS 215 N 0.52 0.43 -0.25 1.92 1.57 -0.82 -2.68 116.57 117.25 3fi0 h LYS 215 Ca 0.47 -0.73 -0.10 0.00 -1.87 0.00 0.00 60.65 58.41 3fi0 h LYS 215 Cb 1.00 0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 3fi0 h LYS 215 CO -0.20 1.34 -0.28 0.87 -0.57 0.00 0.00 179.45 180.61 3fi0 h LYS 216 N 0.12 0.51 -0.10 3.15 1.57 -0.22 -1.88 116.57 119.71 3fi0 h LYS 216 Ca -0.23 -0.21 -0.15 0.00 -1.87 0.00 0.00 60.65 58.20 3fi0 h LYS 216 Cb 2.10 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 34.37 3fi0 h LYS 216 CO 0.24 0.74 -0.58 0.82 -0.57 0.00 0.00 179.45 180.10 3fi0 h ILE 217 N 0.44 1.36 -0.04 1.86 1.08 -1.03 -3.05 117.51 118.14 3fi0 h ILE 217 Ca 0.06 -1.91 -0.14 0.00 -0.39 0.00 0.00 64.86 62.48 3fi0 h ILE 217 Cb 0.72 1.93 -0.01 0.00 -3.07 0.00 0.00 36.82 36.39 3fi0 h ILE 217 CO 0.06 0.57 -0.62 0.11 -0.69 0.00 0.00 178.15 177.58 3fi0 h LYS 218 N 0.24 0.13 -6.26 2.37 1.57 -1.15 -3.48 116.57 109.99 3fi0 h LYS 218 Ca -0.00 -0.10 -0.57 0.00 -1.87 0.00 0.00 60.65 58.12 3fi0 h LYS 218 Cb 1.09 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 33.33 3fi0 h LYS 218 CO 0.10 0.71 0.88 -1.12 -0.57 0.00 0.00 179.45 179.45 3fi0 s SER 219 N -6.88 6.31 -0.01 0.86 0.01 -0.74 -5.10 113.70 108.16 3fi0 s SER 219 Ca -0.03 -0.26 0.09 0.00 1.31 0.00 0.00 55.95 57.06 3fi0 s SER 219 Cb 0.12 -2.52 -0.14 0.00 0.21 0.00 0.00 66.02 63.69 3fi0 s SER 219 CO 0.78 -1.55 0.24 -1.20 0.41 0.00 0.00 173.24 171.93 3fi0 n SER 224 N 8.49 2.42 -0.18 2.44 7.64 -1.26 -4.93 113.62 128.24 3fi0 n SER 224 Ca 0.04 -0.13 -0.02 0.00 1.01 0.00 0.00 58.87 59.78 3fi0 n SER 224 Cb 0.48 1.35 0.21 0.00 -1.01 0.00 0.00 64.21 65.24 3fi0 n SER 224 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3fi0 h GLU 225 N 0.00 0.92 -0.12 1.43 4.81 -2.06 -3.47 114.58 116.09 3fi0 h GLU 225 Ca 0.00 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.05 3fi0 h GLU 225 Cb 0.39 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3fi0 h GLU 225 CO 0.00 0.72 -0.05 0.41 -0.73 0.00 0.00 179.01 179.37 3fi0 n GLY 226 N -1.10 0.57 3.25 1.92 0.00 -1.26 -5.03 105.19 103.54 3fi0 n GLY 226 Ca 0.06 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 3fi0 n GLY 226 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fi0 s THR 227 N -1.95 2.07 -1.28 2.61 -4.23 -1.26 -4.52 115.64 107.08 3fi0 s THR 227 Ca 0.00 -1.04 -0.18 0.00 -1.18 0.00 0.00 61.69 59.28 3fi0 s THR 227 Cb 0.00 -1.76 0.06 0.00 1.34 0.00 0.00 72.50 72.14 3fi0 s THR 227 CO 0.00 0.57 1.74 -0.63 -0.54 0.00 0.00 174.62 175.75 3fi0 s ILE 228 N 0.02 4.08 -0.00 2.99 -1.09 -1.26 -4.91 121.20 121.03 3fi0 s ILE 228 Ca -0.09 -1.82 0.03 0.00 -2.23 0.00 0.00 60.65 56.53 3fi0 s ILE 228 Cb -0.15 -5.16 -0.01 0.00 -1.58 0.00 0.00 42.46 35.55 3fi0 s ILE 228 CO 0.06 -1.98 -0.09 -0.60 -1.23 0.00 0.00 174.94 171.10 3fi0 s ARG 229 N 4.37 0.71 -0.42 2.79 3.52 -1.26 -4.58 118.95 124.08 3fi0 s ARG 229 Ca 0.54 -0.37 -0.27 0.00 -0.13 0.00 0.00 55.73 55.51 3fi0 s ARG 229 Cb 0.04 -0.68 0.02 0.00 -1.56 0.00 0.00 34.95 32.77 3fi0 s ARG 229 CO 0.07 0.18 1.00 -0.47 -0.81 0.00 0.00 175.30 175.27 3fi0 s TYR 230 N -0.31 2.97 0.00 5.12 6.14 -1.26 -4.56 117.35 125.44 3fi0 s TYR 230 Ca 0.03 0.69 0.00 0.00 0.64 0.00 0.00 57.07 58.42 3fi0 s TYR 230 Cb -0.04 -3.96 0.00 0.00 0.42 0.00 0.00 41.96 38.38 3fi0 s TYR 230 CO -0.00 -1.02 0.00 0.41 0.64 0.00 0.00 175.55 175.58 3fi0 n GLY 237 N 4.61 0.00 0.30 8.97 0.00 -1.26 -5.06 105.19 112.75 3fi0 n GLY 237 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 3fi0 n GLY 237 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3fi0 h ILE 238 N 0.00 1.21 -0.46 -0.61 1.08 -1.97 0.13 117.51 116.89 3fi0 h ILE 238 Ca 0.00 -0.74 -0.10 0.00 -0.39 0.00 0.00 64.86 63.62 3fi0 h ILE 238 Cb 0.00 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 3fi0 h ILE 238 CO 0.00 0.27 -0.12 0.28 -0.69 0.00 0.00 178.15 177.89 3fi0 h SER 239 N 0.70 0.84 0.06 1.72 0.02 -1.98 -0.61 113.55 114.31 3fi0 h SER 239 Ca 0.16 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3fi0 h SER 239 Cb 0.26 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3fi0 h SER 239 CO -0.00 0.97 -0.03 -1.13 -1.14 0.00 0.00 176.83 175.50 3fi0 h ASN 240 N 0.76 -0.07 -0.99 3.07 -1.24 -1.82 -2.02 115.58 113.27 3fi0 h ASN 240 Ca 0.12 -0.34 0.14 0.00 0.71 0.00 0.00 56.30 56.93 3fi0 h ASN 240 Cb 0.63 0.02 -0.09 0.00 0.73 0.00 0.00 38.32 39.61 3fi0 h ASN 240 CO 0.04 0.31 0.62 -0.07 -1.29 0.00 0.00 177.43 177.04 3fi0 h LEU 241 N -0.47 0.86 -1.24 0.34 4.07 -0.92 0.21 115.31 118.16 3fi0 h LEU 241 Ca -0.01 0.06 -0.07 0.00 0.08 0.00 0.00 57.88 57.94 3fi0 h LEU 241 Cb 0.41 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 3fi0 h LEU 241 CO 0.01 0.43 -0.33 -0.07 -1.08 0.00 0.00 178.44 177.41 3fi0 h LEU 242 N 0.90 0.00 0.12 1.67 3.38 -0.98 -0.94 115.31 119.47 3fi0 h LEU 242 Ca 0.51 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.21 3fi0 h LEU 242 Cb 0.60 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.38 3fi0 h LEU 242 CO -0.28 0.33 -1.10 0.78 0.09 0.00 0.00 178.44 178.26 3fi0 h ASN 243 N 0.00 0.76 0.20 -0.43 2.35 -0.23 -2.06 115.58 116.17 3fi0 h ASN 243 Ca -0.00 -0.84 -0.01 0.00 -0.55 0.00 0.00 56.30 54.89 3fi0 h ASN 243 Cb 0.71 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.84 3fi0 h ASN 243 CO 0.04 1.53 -0.10 0.40 -1.65 0.00 0.00 177.43 177.66 3fi0 h ILE 244 N 0.10 0.87 -0.49 2.81 2.04 -1.19 -1.65 117.51 120.00 3fi0 h ILE 244 Ca -0.17 -0.39 0.10 0.00 1.00 0.00 0.00 64.86 65.40 3fi0 h ILE 244 Cb 1.81 1.11 -0.09 0.00 -0.74 0.00 0.00 36.82 38.90 3fi0 h ILE 244 CO 0.21 0.09 -0.10 0.22 0.00 0.00 0.00 178.15 178.57 3fi0 h TYR 245 N -0.46 -0.22 -0.09 1.37 5.03 -1.27 -2.46 116.97 118.87 3fi0 h TYR 245 Ca -0.03 0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.31 3fi0 h TYR 245 Cb 0.35 0.17 -0.00 0.00 1.55 0.00 0.00 36.73 38.80 3fi0 h TYR 245 CO -0.01 -0.20 -0.01 1.03 -1.32 0.00 0.00 178.16 177.66 3fi0 h SER 246 N 0.02 0.15 0.11 -2.11 0.87 -1.26 -1.33 113.55 110.00 3fi0 h SER 246 Ca 0.24 -0.33 -0.11 0.00 -1.23 0.00 0.00 61.79 60.36 3fi0 h SER 246 Cb 0.37 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3fi0 h SER 246 CO -0.49 0.45 -0.38 0.71 -0.53 0.00 0.00 176.83 176.58 3fi0 h THR 247 N -0.14 1.30 0.06 2.23 1.35 -1.28 -1.89 112.91 114.53 3fi0 h THR 247 Ca 0.02 -1.49 -0.24 0.00 -0.55 0.00 0.00 66.41 64.14 3fi0 h THR 247 Cb 0.37 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 3fi0 h THR 247 CO 0.01 0.46 -1.07 -0.07 -0.25 0.00 0.00 175.52 174.60 3fi0 h LEU 248 N 0.31 0.47 0.00 3.87 3.38 -1.49 -3.33 115.31 118.52 3fi0 h LEU 248 Ca 0.03 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 3fi0 h LEU 248 Cb 0.82 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 3fi0 h LEU 248 CO 0.07 1.27 -0.91 0.77 0.09 0.00 0.00 178.44 179.72 3fi0 h SER 249 N 0.15 0.00 0.00 -0.43 4.64 -1.24 -3.48 113.55 113.19 3fi0 h SER 249 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3fi0 h SER 249 Cb 1.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 3fi0 h SER 249 CO 0.18 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 3fi0 n GLY 250 N 1.20 2.24 3.72 -0.77 0.00 -0.71 -5.03 105.19 105.83 3fi0 n GLY 250 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3fi0 n GLY 250 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fi0 s GLN 251 N -0.47 1.03 0.27 1.61 -0.21 -1.20 -4.99 119.66 115.69 3fi0 s GLN 251 Ca 0.00 0.66 0.05 0.00 0.02 0.00 0.00 55.36 56.09 3fi0 s GLN 251 Cb 0.00 -1.80 -0.03 0.00 1.00 0.00 0.00 33.01 32.19 3fi0 s GLN 251 CO 0.00 -2.36 0.40 0.45 -2.12 0.00 0.00 175.29 171.66 3fi0 s SER 252 N -3.52 6.24 0.35 5.90 0.15 -1.26 -4.55 113.70 117.00 3fi0 s SER 252 Ca 0.64 0.04 0.09 0.00 0.70 0.00 0.00 55.95 57.42 3fi0 s SER 252 Cb -0.18 -1.74 0.64 0.00 -1.71 0.00 0.00 66.02 63.03 3fi0 s SER 252 CO 0.57 -0.16 1.82 0.40 1.20 0.00 0.00 173.24 177.06 3fi0 h ILE 253 N 1.08 1.24 0.00 6.45 2.04 -1.93 -1.54 117.51 124.84 3fi0 h ILE 253 Ca -0.51 -1.14 -0.10 0.00 1.00 0.00 0.00 64.86 64.11 3fi0 h ILE 253 Cb 1.23 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 3fi0 h ILE 253 CO 0.59 0.34 -0.95 1.05 0.00 0.00 0.00 178.15 179.19 3fi0 h GLU 254 N 0.20 0.00 -0.35 2.37 9.09 -1.98 -0.18 114.58 123.72 3fi0 h GLU 254 Ca 0.03 0.00 0.05 0.00 0.05 0.00 0.00 59.36 59.49 3fi0 h GLU 254 Cb 0.59 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.64 3fi0 h GLU 254 CO 0.04 0.26 0.06 1.49 0.05 0.00 0.00 179.01 180.92 3fi0 h GLU 255 N 0.00 0.18 0.08 1.06 4.81 -1.88 -2.77 114.58 116.05 3fi0 h GLU 255 Ca -0.07 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 58.93 3fi0 h GLU 255 Cb 1.36 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 30.72 3fi0 h GLU 255 CO 0.04 0.12 -0.89 -0.07 -0.73 0.00 0.00 179.01 177.48 3fi0 h LEU 256 N 0.18 0.64 -0.71 1.64 3.38 -1.06 -0.69 115.31 118.69 3fi0 h LEU 256 Ca 0.17 -0.84 0.15 0.00 0.09 0.00 0.00 57.88 57.45 3fi0 h LEU 256 Cb 0.20 -0.20 -0.11 0.00 0.09 0.00 0.00 40.66 40.64 3fi0 h LEU 256 CO -0.23 1.41 0.16 -0.33 0.09 0.00 0.00 178.44 179.54 3fi0 h GLU 257 N -0.05 0.25 0.32 1.13 5.08 -1.15 0.39 114.58 120.56 3fi0 h GLU 257 Ca -0.13 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 3fi0 h GLU 257 Cb 1.62 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.82 3fi0 h GLU 257 CO 0.17 0.17 -0.16 0.00 -1.00 0.00 0.00 179.01 178.19 3fi0 h ARG 258 N 0.26 -0.42 -0.96 2.33 3.08 -1.31 -2.27 114.38 115.09 3fi0 h ARG 258 Ca 0.40 0.03 0.29 0.00 0.07 0.00 0.00 59.98 60.77 3fi0 h ARG 258 Cb 0.67 0.10 -0.15 0.00 0.08 0.00 0.00 29.97 30.67 3fi0 h ARG 258 CO -0.50 -0.28 0.44 0.37 -1.07 0.00 0.00 179.97 178.93 3fi0 h GLN 259 N -0.44 0.27 -0.59 0.04 4.15 -0.88 0.44 115.11 118.10 3fi0 h GLN 259 Ca -0.04 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3fi0 h GLN 259 Cb 0.33 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.96 3fi0 h GLN 259 CO 0.07 0.18 0.00 0.66 -1.93 0.00 0.00 178.83 177.81 3fi0 n TYR 260 N -5.12 0.99 -2.21 3.99 4.02 0.14 -4.94 117.16 114.02 3fi0 n TYR 260 Ca 0.28 -0.41 -0.41 0.00 -0.01 0.00 0.00 57.90 57.35 3fi0 n TYR 260 Cb 0.87 -0.15 -0.03 0.00 -0.02 0.00 0.00 39.34 40.01 3fi0 n TYR 260 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3fi0 s GLU 261 N -1.66 4.42 0.00 -0.72 2.56 0.14 -1.60 118.70 121.84 3fi0 s GLU 261 Ca 0.36 2.09 0.00 0.00 0.00 0.00 0.00 54.97 57.42 3fi0 s GLU 261 Cb 0.22 -3.14 0.00 0.00 2.00 0.00 0.00 34.13 33.22 3fi0 s GLU 261 CO 0.19 -0.14 0.00 0.41 -0.56 0.00 0.00 175.26 175.16 3fi0 n GLY 262 N 1.44 1.21 3.92 -1.50 0.00 -1.26 -5.02 105.19 103.98 3fi0 n GLY 262 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3fi0 n GLY 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fi0 s LYS 263 N -0.22 3.48 0.57 1.61 -0.14 -0.63 -5.12 119.74 119.31 3fi0 s LYS 263 Ca 0.00 -0.37 0.02 0.00 -1.36 0.00 0.00 55.97 54.26 3fi0 s LYS 263 Cb 0.00 -2.99 0.05 0.00 -1.68 0.00 0.00 37.83 33.22 3fi0 s LYS 263 CO 0.00 0.57 0.80 0.20 -0.76 0.00 0.00 175.35 176.16 3fi0 s GLY 264 N -2.57 1.82 0.38 -3.33 0.00 -1.26 -4.29 107.32 98.07 3fi0 s GLY 264 Ca 0.36 -1.51 0.17 0.00 0.00 0.00 0.00 44.72 43.75 3fi0 s GLY 264 CO 0.27 -1.16 1.78 -0.97 0.00 0.00 0.00 173.10 173.02 3fi0 h TYR 265 N 0.01 0.00 -0.24 1.90 0.05 -1.98 -3.22 116.97 113.49 3fi0 h TYR 265 Ca -0.40 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.38 3fi0 h TYR 265 Cb 1.29 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.02 3fi0 h TYR 265 CO 0.26 0.38 0.16 0.78 -1.05 0.00 0.00 178.16 178.69 3fi0 h GLY 266 N 1.64 0.34 1.68 3.88 0.00 -1.98 0.20 103.07 108.83 3fi0 h GLY 266 Ca -0.00 -0.13 -0.17 0.00 0.00 0.00 0.00 47.33 47.03 3fi0 h GLY 266 CO 0.05 0.13 -0.68 -2.08 0.00 0.00 0.00 176.54 173.96 3fi0 h VAL 267 N 0.32 1.39 -0.16 4.60 2.07 -1.99 -1.01 116.25 121.47 3fi0 h VAL 267 Ca 0.09 -2.10 -0.01 0.00 0.82 0.00 0.00 66.70 65.49 3fi0 h VAL 267 Cb -0.03 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 3fi0 h VAL 267 CO -0.02 0.63 0.05 0.15 0.02 0.00 0.00 177.57 178.40 3fi0 h PHE 268 N 0.22 0.26 -0.57 1.57 3.57 -1.52 -1.07 116.94 119.40 3fi0 h PHE 268 Ca -0.02 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 3fi0 h PHE 268 Cb 1.22 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 3fi0 h PHE 268 CO 0.03 0.36 0.08 0.87 -2.23 0.00 0.00 178.31 177.42 3fi0 h LYS 269 N 0.08 0.92 -0.40 1.11 1.57 -0.56 -1.71 116.57 117.57 3fi0 h LYS 269 Ca 0.05 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 3fi0 h LYS 269 Cb 0.23 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3fi0 h LYS 269 CO -0.00 0.86 0.17 0.00 -0.57 0.00 0.00 179.45 179.91 3fi0 h ALA 270 N 1.22 0.52 -0.78 3.86 0.00 -0.99 -2.08 119.26 121.01 3fi0 h ALA 270 Ca 0.18 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3fi0 h ALA 270 Cb 0.40 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3fi0 h ALA 270 CO 0.01 0.11 0.36 -0.44 0.00 0.00 0.00 179.25 179.30 3fi0 h ASP 271 N 0.50 1.01 0.63 0.00 3.32 -0.94 -3.09 116.42 117.87 3fi0 h ASP 271 Ca 0.13 -0.12 -0.17 0.00 0.02 0.00 0.00 57.03 56.89 3fi0 h ASP 271 Cb 0.17 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3fi0 h ASP 271 CO -0.01 0.86 -0.78 0.25 -1.72 0.00 0.00 179.24 177.84 3fi0 h LEU 272 N 1.11 0.13 -1.16 1.55 5.85 -1.15 -2.60 115.31 119.05 3fi0 h LEU 272 Ca 0.27 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 3fi0 h LEU 272 Cb 0.12 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3fi0 h LEU 272 CO -0.03 0.86 -0.17 0.00 -0.34 0.00 0.00 178.44 178.76 3fi0 h ALA 273 N 1.14 1.02 0.03 1.25 0.00 -1.34 -1.43 119.26 119.93 3fi0 h ALA 273 Ca -0.02 -0.15 -0.27 0.00 0.00 0.00 0.00 54.91 54.46 3fi0 h ALA 273 Cb 1.36 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.15 3fi0 h ALA 273 CO 0.11 0.21 -1.09 0.37 0.00 0.00 0.00 179.25 178.85 3fi0 h GLN 274 N 0.00 0.66 0.00 0.00 5.75 -1.43 -1.88 115.11 118.21 3fi0 h GLN 274 Ca -0.00 -0.75 -0.07 0.00 -0.15 0.00 0.00 58.65 57.67 3fi0 h GLN 274 Cb 0.70 0.22 -0.01 0.00 1.07 0.00 0.00 27.48 29.46 3fi0 h GLN 274 CO 0.02 1.33 -0.34 -0.39 -2.65 0.00 0.00 178.83 176.80 3fi0 h VAL 275 N 0.36 0.71 0.24 2.39 -1.51 -1.13 -0.07 116.25 117.23 3fi0 h VAL 275 Ca -0.14 -1.54 -0.34 0.00 -1.23 0.00 0.00 66.70 63.45 3fi0 h VAL 275 Cb 1.75 2.01 0.03 0.00 -2.13 0.00 0.00 31.29 32.95 3fi0 h VAL 275 CO 0.21 0.33 -1.49 0.58 -1.23 0.00 0.00 177.57 175.97 3fi0 h VAL 276 N 0.00 1.27 -0.39 7.19 2.07 -1.30 -2.46 116.25 122.63 3fi0 h VAL 276 Ca -0.00 -2.72 -0.10 0.00 0.82 0.00 0.00 66.70 64.70 3fi0 h VAL 276 Cb 0.98 3.01 -0.01 0.00 -1.52 0.00 0.00 31.29 33.75 3fi0 h VAL 276 CO 0.04 0.82 -0.14 0.40 0.02 0.00 0.00 177.57 178.72 3fi0 h ILE 277 N 0.14 1.28 -0.50 4.57 2.04 -1.30 -1.44 117.51 122.30 3fi0 h ILE 277 Ca -0.26 -1.24 -0.04 0.00 1.00 0.00 0.00 64.86 64.32 3fi0 h ILE 277 Cb 2.15 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 39.48 3fi0 h ILE 277 CO 0.26 0.41 0.14 -0.33 0.00 0.00 0.00 178.15 178.64 3fi0 h GLU 278 N 0.58 0.74 -0.12 2.37 3.07 -1.09 -0.92 114.58 119.22 3fi0 h GLU 278 Ca 0.09 -0.13 -0.05 0.00 -0.50 0.00 0.00 59.36 58.77 3fi0 h GLU 278 Cb 0.67 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.46 3fi0 h GLU 278 CO 0.05 0.66 -0.12 1.15 -1.40 0.00 0.00 179.01 179.34 3fi0 h THR 279 N 0.72 1.36 0.00 1.13 2.02 -1.25 -3.34 112.91 113.56 3fi0 h THR 279 Ca 0.17 -1.29 -0.10 0.00 0.77 0.00 0.00 66.41 65.95 3fi0 h THR 279 Cb 0.24 1.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 3fi0 h THR 279 CO -0.01 0.37 -0.53 -0.07 0.37 0.00 0.00 175.52 175.65 3fi0 h LEU 280 N -0.11 0.00 -0.22 2.58 3.38 -1.19 -3.38 115.31 116.37 3fi0 h LEU 280 Ca 0.02 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3fi0 h LEU 280 Cb 0.65 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3fi0 h LEU 280 CO 0.03 0.48 -0.04 -0.09 0.09 0.00 0.00 178.44 178.91 3fi0 h ARG 281 N 0.00 0.02 -0.78 1.13 2.43 -1.28 0.14 114.38 116.04 3fi0 h ARG 281 Ca -0.01 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3fi0 h ARG 281 Cb 1.38 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.89 3fi0 h ARG 281 CO 0.06 0.01 0.38 -1.00 -1.51 0.00 0.00 179.97 177.91 3fi0 h PRO 282 N 0.02 1.12 -0.14 0.20 0.13 -1.75 -1.85 132.00 129.73 3fi0 h PRO 282 Ca 0.11 -0.16 0.02 0.00 -0.87 0.00 0.00 66.00 65.09 3fi0 h PRO 282 Cb 0.15 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.06 3fi0 h PRO 282 CO -0.21 0.86 0.02 0.82 -0.23 0.00 0.00 178.00 179.26 3fi0 h ILE 283 N 1.09 0.94 0.00 -3.56 2.04 -1.57 -2.49 117.51 113.97 3fi0 h ILE 283 Ca 0.27 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 66.05 3fi0 h ILE 283 Cb 0.11 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3fi0 h ILE 283 CO -0.03 0.01 -0.25 1.56 0.00 0.00 0.00 178.15 179.44 3fi0 h GLN 284 N 0.08 0.00 -0.15 2.37 4.20 -0.60 -2.05 115.11 118.96 3fi0 h GLN 284 Ca 0.06 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3fi0 h GLN 284 Cb 0.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3fi0 h GLN 284 CO -0.08 0.25 0.02 0.93 -0.67 0.00 0.00 178.83 179.28 3fi0 h GLU 285 N 0.00 0.25 -0.13 1.46 5.08 -0.90 -2.81 114.58 117.53 3fi0 h GLU 285 Ca -0.00 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 3fi0 h GLU 285 Cb 0.60 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3fi0 h GLU 285 CO 0.03 0.43 -0.44 0.00 -1.00 0.00 0.00 179.01 178.03 3fi0 h ARG 286 N 0.03 0.30 -0.06 2.33 3.08 -1.32 -3.01 114.38 115.74 3fi0 h ARG 286 Ca 0.05 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 3fi0 h ARG 286 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 3fi0 h ARG 286 CO 0.00 0.69 0.03 -0.92 -1.07 0.00 0.00 179.97 178.70 3fi0 h TYR 287 N 0.25 0.07 0.00 3.04 3.20 -1.29 -0.02 116.97 122.22 3fi0 h TYR 287 Ca 0.02 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 3fi0 h TYR 287 Cb 0.88 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 3fi0 h TYR 287 CO 0.02 0.08 -0.29 0.45 -1.64 0.00 0.00 178.16 176.78 3fi0 h HIS 288 N 0.04 0.00 -0.14 -3.82 3.86 -1.52 -2.24 115.15 111.34 3fi0 h HIS 288 Ca 0.02 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.06 3fi0 h HIS 288 Cb 0.03 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 3fi0 h HIS 288 CO -0.06 0.29 -0.61 1.25 0.86 0.00 0.00 177.93 179.66 3fi0 h HIS 289 N 0.00 0.60 0.00 2.45 -0.00 -1.33 -2.04 115.15 114.84 3fi0 h HIS 289 Ca -0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 60.37 60.14 3fi0 h HIS 289 Cb 0.54 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.85 3fi0 h HIS 289 CO 0.00 0.96 0.00 0.91 -0.00 0.00 0.00 177.93 179.80 3fi0 n TRP 290 N -3.91 0.00 0.00 5.26 7.02 -0.06 -1.47 117.44 124.28 3fi0 n TRP 290 Ca -0.03 -0.26 0.00 0.00 -1.02 0.00 0.00 57.50 56.19 3fi0 n TRP 290 Cb 0.63 -0.17 0.00 0.00 -2.42 0.00 0.00 31.31 29.36 3fi0 n TRP 290 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 3fi0 n GLU 292 N 0.49 0.00 -3.05 -0.99 1.02 -0.77 -4.49 120.64 112.85 3fi0 n GLU 292 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 3fi0 n GLU 292 Cb 0.31 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.72 3fi0 n GLU 292 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3fi0 s SER 293 N 0.00 6.29 0.00 1.62 0.15 -0.54 -4.99 113.70 116.23 3fi0 s SER 293 Ca 0.00 0.68 0.25 0.00 0.70 0.00 0.00 55.95 57.58 3fi0 s SER 293 Cb 0.00 -2.13 0.55 0.00 -1.71 0.00 0.00 66.02 62.72 3fi0 s SER 293 CO 0.00 -0.42 1.44 -0.62 1.20 0.00 0.00 173.24 174.84 3fi0 n GLU 294 N -1.95 0.29 0.06 5.44 1.02 -1.26 -3.62 120.64 120.62 3fi0 n GLU 294 Ca -0.02 -0.18 0.12 0.00 -0.02 0.00 0.00 57.16 57.06 3fi0 n GLU 294 Cb 0.56 -1.50 0.46 0.00 -0.02 0.00 0.00 31.44 30.94 3fi0 n GLU 294 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3fi0 n GLU 295 N -1.20 0.12 0.28 3.49 -0.58 -1.26 -3.23 120.64 118.26 3fi0 n GLU 295 Ca 0.08 0.22 -0.14 0.00 -0.42 0.00 0.00 57.16 56.89 3fi0 n GLU 295 Cb 0.34 -1.67 -0.08 0.00 -0.57 0.00 0.00 31.44 29.46 3fi0 n GLU 295 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3fi0 h LEU 296 N 0.00 -0.63 -2.30 -4.62 5.85 -1.78 -0.54 115.31 111.29 3fi0 h LEU 296 Ca 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3fi0 h LEU 296 Cb 0.47 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 3fi0 h LEU 296 CO 0.00 -0.27 0.00 0.44 -0.34 0.00 0.00 178.44 178.27 3fi0 h ASP 297 N -1.03 0.00 0.89 1.25 3.45 -1.80 -2.29 116.42 116.89 3fi0 h ASP 297 Ca -0.08 0.00 -0.23 0.00 0.43 0.00 0.00 57.03 57.16 3fi0 h ASP 297 Cb 0.64 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.37 3fi0 h ASP 297 CO 0.12 0.00 -1.14 0.03 -1.57 0.00 0.00 179.24 176.69 3fi0 h ARG 298 N 0.00 0.01 -0.00 3.56 3.08 -1.50 -2.43 114.38 117.11 3fi0 h ARG 298 Ca 0.00 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 3fi0 h ARG 298 Cb 0.01 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3fi0 h ARG 298 CO -0.00 0.92 -0.70 0.28 -1.07 0.00 0.00 179.97 179.41 3fi0 h VAL 299 N 0.00 1.49 0.00 2.04 2.07 -0.56 -2.36 116.25 118.93 3fi0 h VAL 299 Ca -0.06 -2.37 -0.11 0.00 0.82 0.00 0.00 66.70 64.97 3fi0 h VAL 299 Cb 1.82 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 33.85 3fi0 h VAL 299 CO 0.12 0.68 -0.56 -0.07 0.02 0.00 0.00 177.57 177.76 3fi0 h LEU 300 N 0.02 0.00 0.01 2.57 3.38 -1.47 -2.08 115.31 117.74 3fi0 h LEU 300 Ca -0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 3fi0 h LEU 300 Cb 1.24 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.00 3fi0 h LEU 300 CO 0.09 0.53 -0.86 0.44 0.09 0.00 0.00 178.44 178.74 3fi0 h ASP 301 N 0.00 0.74 -0.35 -0.43 3.32 -1.34 -2.77 116.42 115.58 3fi0 h ASP 301 Ca -0.01 -0.76 -0.08 0.00 0.02 0.00 0.00 57.03 56.20 3fi0 h ASP 301 Cb 1.42 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 3fi0 h ASP 301 CO 0.07 1.40 -0.06 -0.33 -1.72 0.00 0.00 179.24 178.60 3fi0 h GLU 302 N 0.15 0.76 -0.47 3.56 4.39 -1.44 -1.75 114.58 119.78 3fi0 h GLU 302 Ca -0.11 -0.23 -0.12 0.00 0.34 0.00 0.00 59.36 59.24 3fi0 h GLU 302 Cb 1.55 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 30.10 3fi0 h GLU 302 CO 0.17 0.81 -0.17 0.78 -1.16 0.00 0.00 179.01 179.44 3fi0 h GLY 303 N 0.97 1.01 2.00 -3.84 0.00 -1.40 -2.27 103.07 99.54 3fi0 h GLY 303 Ca 0.13 -0.85 -0.09 0.00 0.00 0.00 0.00 47.33 46.52 3fi0 h GLY 303 CO 0.03 0.77 -0.44 0.00 0.00 0.00 0.00 176.54 176.91 3fi0 h ALA 304 N 0.98 0.82 -0.10 3.60 0.00 -1.33 -1.93 119.26 121.29 3fi0 h ALA 304 Ca 0.12 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 3fi0 h ALA 304 Cb 0.73 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3fi0 h ALA 304 CO 0.06 0.55 -0.24 0.93 0.00 0.00 0.00 179.25 180.54 3fi0 h GLU 305 N 0.00 0.35 -0.45 0.00 5.08 -1.17 -0.05 114.58 118.34 3fi0 h GLU 305 Ca -0.00 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3fi0 h GLU 305 Cb 1.15 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3fi0 h GLU 305 CO 0.06 0.84 0.19 0.87 -1.00 0.00 0.00 179.01 179.96 3fi0 h LYS 306 N -0.10 0.67 -0.10 2.33 1.57 -1.43 -1.90 116.57 117.62 3fi0 h LYS 306 Ca -0.00 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3fi0 h LYS 306 Cb 0.84 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 3fi0 h LYS 306 CO 0.05 0.61 0.03 0.00 -0.57 0.00 0.00 179.45 179.57 3fi0 h ALA 307 N 1.03 0.13 -0.90 3.86 0.00 -1.36 -2.78 119.26 119.24 3fi0 h ALA 307 Ca 0.15 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.04 3fi0 h ALA 307 Cb 0.18 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 3fi0 h ALA 307 CO -0.01 -0.27 0.55 -0.91 0.00 0.00 0.00 179.25 178.61 3fi0 h ASN 308 N -0.02 0.82 0.35 0.00 -0.26 -0.91 0.45 115.58 116.01 3fi0 h ASN 308 Ca 0.03 0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 3fi0 h ASN 308 Cb 0.20 -0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 37.30 3fi0 h ASN 308 CO -0.00 0.49 -0.48 -0.09 -1.06 0.00 0.00 177.43 176.29 3fi0 h ARG 309 N 0.94 -0.83 0.23 0.81 1.12 -1.20 0.39 114.38 115.84 3fi0 h ARG 309 Ca 0.42 0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 59.34 3fi0 h ARG 309 Cb 0.32 0.19 0.00 0.00 -0.01 0.00 0.00 29.97 30.47 3fi0 h ARG 309 CO -0.22 -0.55 -0.11 0.28 -3.11 0.00 0.00 179.97 176.26 3fi0 h VAL 310 N -0.86 0.82 -0.74 0.20 2.07 -1.16 -2.83 116.25 113.75 3fi0 h VAL 310 Ca -0.04 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 3fi0 h VAL 310 Cb 0.78 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 3fi0 h VAL 310 CO -0.13 0.06 0.39 0.00 0.02 0.00 0.00 177.57 177.92 3fi0 h ALA 311 N 0.29 1.29 0.00 1.67 0.00 -0.09 -2.80 119.26 119.62 3fi0 h ALA 311 Ca -0.03 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 3fi0 h ALA 311 Cb 0.34 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3fi0 h ALA 311 CO 0.05 0.57 -0.40 0.77 0.00 0.00 0.00 179.25 180.24 3fi0 h SER 312 N 1.04 0.00 0.00 0.00 0.02 -0.22 -2.19 113.55 112.20 3fi0 h SER 312 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3fi0 h SER 312 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3fi0 h SER 312 CO -0.04 0.40 0.00 1.21 -1.14 0.00 0.00 176.83 177.26 3fi0 n GLU 313 N -3.73 0.79 0.00 3.45 4.07 -1.06 -2.04 120.64 122.13 3fi0 n GLU 313 Ca -0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 3fi0 n GLU 313 Cb 0.48 -1.18 0.00 0.00 -0.06 0.00 0.00 31.44 30.68 3fi0 n GLU 313 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3fi0 n VAL 315 N 0.46 0.00 0.11 6.31 0.31 -0.83 -2.08 118.33 122.61 3fi0 n VAL 315 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 3fi0 n VAL 315 Cb 0.34 0.00 0.34 0.00 -0.91 0.00 0.00 33.84 33.61 3fi0 n VAL 315 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3fi0 h ARG 316 N 0.00 0.25 -1.00 5.55 2.43 -1.68 0.01 114.38 119.94 3fi0 h ARG 316 Ca 0.00 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3fi0 h ARG 316 Cb 0.00 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3fi0 h ARG 316 CO 0.00 0.45 0.01 1.63 -1.51 0.00 0.00 179.97 180.54 3fi0 n LYS 317 N -4.21 1.05 0.00 0.20 5.02 -0.88 -2.26 118.16 117.07 3fi0 n LYS 317 Ca -0.01 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 3fi0 n LYS 317 Cb 0.32 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 3fi0 n LYS 317 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3fi0 n GLU 319 N 0.25 0.00 -0.01 1.97 1.02 -0.01 -1.42 120.64 122.44 3fi0 n GLU 319 Ca 0.01 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.08 3fi0 n GLU 319 Cb 0.40 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 31.94 3fi0 n GLU 319 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3fi0 h GLN 320 N 0.00 0.57 -0.48 3.49 5.75 -1.67 0.43 115.11 123.19 3fi0 h GLN 320 Ca 0.00 -0.27 0.00 0.00 -0.15 0.00 0.00 58.65 58.23 3fi0 h GLN 320 Cb 0.00 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 3fi0 h GLN 320 CO 0.00 0.85 0.00 0.00 -2.65 0.00 0.00 178.83 177.03 3fi0 n ALA 321 N -2.50 1.88 -2.46 3.38 0.00 -0.51 -4.77 120.51 115.53 3fi0 n ALA 321 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 3fi0 n ALA 321 Cb 0.49 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 19.01 3fi0 n ALA 321 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fi0 n GLY 323 N 0.19 1.29 3.78 0.00 0.00 0.86 -4.98 105.19 106.34 3fi0 n GLY 323 Ca 0.00 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 3fi0 n GLY 323 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fi0 s LEU 324 N -2.64 4.37 0.00 0.99 1.43 0.11 -4.93 118.68 118.01 3fi0 s LEU 324 Ca 0.06 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 3fi0 s LEU 324 Cb 0.29 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.91 3fi0 s LEU 324 CO -0.08 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.28 3fi0 n GLY 325 N 2.60 2.25 0.00 -3.19 0.00 -1.26 -4.64 105.19 100.94 3fi0 n GLY 325 Ca -0.11 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3fi0 n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86