#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 4.28 -0.09 -0.18 2.01 -1.26 -0.74 115.64 119.65 3fi0 s THR 3 Ca 0.00 -0.24 0.04 0.00 0.31 0.00 0.00 61.69 61.80 3fi0 s THR 3 Cb 0.00 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 3fi0 s THR 3 CO 0.00 0.56 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.64 3fi0 s ILE 4 N -0.43 2.23 -0.14 1.82 1.01 0.96 -1.12 121.20 125.51 3fi0 s ILE 4 Ca 0.08 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.77 3fi0 s ILE 4 Cb -0.12 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.51 3fi0 s ILE 4 CO 0.02 0.56 -0.21 0.12 0.00 0.00 0.00 174.94 175.43 3fi0 s PHE 5 N 0.15 2.69 -0.19 3.97 2.19 -0.96 0.25 117.98 126.09 3fi0 s PHE 5 Ca -0.12 -1.29 0.01 0.00 0.33 0.00 0.00 56.93 55.86 3fi0 s PHE 5 Cb -0.16 -1.82 0.03 0.00 -1.31 0.00 0.00 43.02 39.75 3fi0 s PHE 5 CO 0.07 -0.59 -0.15 0.45 1.83 0.00 0.00 175.22 176.83 3fi0 s SER 6 N 0.80 3.25 -0.44 6.13 0.15 0.13 -4.15 113.70 119.58 3fi0 s SER 6 Ca -0.07 -0.76 -0.16 0.00 0.70 0.00 0.00 55.95 55.66 3fi0 s SER 6 Cb -0.16 -1.36 0.04 0.00 -1.71 0.00 0.00 66.02 62.83 3fi0 s SER 6 CO -0.01 -0.07 0.38 -0.83 1.20 0.00 0.00 173.24 173.91 3fi0 s GLY 7 N 1.34 1.99 -0.12 9.45 0.00 -1.26 -0.80 107.32 117.92 3fi0 s GLY 7 Ca 0.02 -1.83 0.02 0.00 0.00 0.00 0.00 44.72 42.92 3fi0 s GLY 7 CO -0.10 1.05 -0.18 -0.42 0.00 0.00 0.00 173.10 173.45 3fi0 s ILE 8 N 1.81 2.60 -0.21 0.90 1.01 0.28 -4.89 121.20 122.71 3fi0 s ILE 8 Ca 0.07 -0.82 -0.21 0.00 0.00 0.00 0.00 60.65 59.68 3fi0 s ILE 8 Cb -0.21 -2.05 -0.19 0.00 0.01 0.00 0.00 42.46 40.02 3fi0 s ILE 8 CO 0.09 0.54 0.21 1.56 0.00 0.00 0.00 174.94 177.35 3fi0 h GLN 9 N 6.73 0.01 0.00 2.79 4.20 -1.87 0.17 115.11 127.13 3fi0 h GLN 9 Ca -0.23 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.47 3fi0 h GLN 9 Cb 1.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 3fi0 h GLN 9 CO 0.52 1.01 0.00 0.25 -0.67 0.00 0.00 178.83 179.93 3fi0 n THR 15 N -4.41 0.00 1.45 -0.54 -2.24 -1.26 -4.94 114.28 102.34 3fi0 n THR 15 Ca -0.32 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.58 3fi0 n THR 15 Cb 0.69 0.00 0.71 0.00 -2.10 0.00 0.00 70.33 69.63 3fi0 n THR 15 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3fi0 n ILE 16 N -1.42 0.07 0.04 2.28 -5.35 -0.15 -2.18 119.36 112.66 3fi0 n ILE 16 Ca 0.00 0.02 -0.07 0.00 -0.27 0.00 0.00 62.75 62.43 3fi0 n ILE 16 Cb 0.00 -0.62 -0.12 0.00 -1.74 0.00 0.00 39.64 37.16 3fi0 n ILE 16 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3fi0 h GLY 17 N 3.97 0.00 1.73 3.28 0.00 -1.94 -2.80 103.07 107.31 3fi0 h GLY 17 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3fi0 h GLY 17 CO 0.00 0.00 -0.46 3.43 0.00 0.00 0.00 176.54 179.51 3fi0 h ASN 18 N 0.00 0.32 0.57 0.19 2.35 -1.84 -2.99 115.58 114.18 3fi0 h ASN 18 Ca -0.10 -0.15 -0.28 0.00 -0.55 0.00 0.00 56.30 55.22 3fi0 h ASN 18 Cb 1.82 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 40.08 3fi0 h ASN 18 CO 0.11 0.74 -1.43 0.22 -1.65 0.00 0.00 177.43 175.41 3fi0 h TYR 19 N 0.24 0.31 -0.15 1.19 3.20 -1.55 -2.35 116.97 117.86 3fi0 h TYR 19 Ca 0.01 -0.23 -0.10 0.00 3.14 0.00 0.00 58.73 61.56 3fi0 h TYR 19 Cb 0.91 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 3fi0 h TYR 19 CO 0.02 1.25 -0.35 0.82 -1.64 0.00 0.00 178.16 178.26 3fi0 h ILE 20 N 0.05 1.29 0.09 1.81 2.04 -1.65 -2.82 117.51 118.31 3fi0 h ILE 20 Ca -0.20 -1.41 -0.00 0.00 1.00 0.00 0.00 64.86 64.25 3fi0 h ILE 20 Cb 1.97 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.61 3fi0 h ILE 20 CO 0.15 0.43 -0.04 1.23 0.00 0.00 0.00 178.15 179.91 3fi0 h GLY 21 N 1.12 -0.12 0.00 5.37 0.00 -1.28 -3.34 103.07 104.82 3fi0 h GLY 21 Ca 0.03 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3fi0 h GLY 21 CO 0.06 -0.04 -0.51 0.00 0.00 0.00 0.00 176.54 176.04 3fi0 n ALA 22 N -2.16 1.49 0.05 3.60 0.00 -0.93 -3.46 120.51 119.11 3fi0 n ALA 22 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.22 3fi0 n ALA 22 Cb 0.05 0.12 -0.14 0.00 0.00 0.00 0.00 19.45 19.48 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 0.00 0.55 -0.02 0.00 5.85 -1.70 -3.19 115.31 116.79 3fi0 h LEU 23 Ca 0.00 -0.91 -0.26 0.00 0.84 0.00 0.00 57.88 57.56 3fi0 h LEU 23 Cb 0.49 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.35 3fi0 h LEU 23 CO 0.00 1.41 -1.10 0.08 -0.34 0.00 0.00 178.44 178.49 3fi0 h ARG 24 N -0.23 0.43 0.00 1.25 -0.00 -1.75 -1.62 114.38 112.46 3fi0 h ARG 24 Ca -0.14 -0.55 0.00 0.00 -0.00 0.00 0.00 59.98 59.28 3fi0 h ARG 24 Cb 1.66 0.18 0.00 0.00 -0.00 0.00 0.00 29.97 31.80 3fi0 h ARG 24 CO 0.17 1.21 0.00 -0.56 -0.00 0.00 0.00 179.97 180.78 3fi0 h GLN 25 N 0.20 0.00 0.00 0.08 3.07 -1.80 -1.71 115.11 114.95 3fi0 h GLN 25 Ca -0.12 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.56 3fi0 h GLN 25 Cb 1.77 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.32 3fi0 h GLN 25 CO 0.19 0.00 -0.26 0.74 0.09 0.00 0.00 178.83 179.60 3fi0 h PHE 26 N 0.00 0.00 0.00 0.06 0.05 -1.28 -1.99 116.94 113.78 3fi0 h PHE 26 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3fi0 h PHE 26 Cb 0.22 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.17 3fi0 h PHE 26 CO 0.00 0.26 0.00 0.28 -0.18 0.00 0.00 178.31 178.67 3fi0 n VAL 27 N -3.32 0.83 -0.06 -0.55 0.31 -0.64 -2.03 118.33 112.86 3fi0 n VAL 27 Ca 0.01 0.23 -0.09 0.00 -0.01 0.00 0.00 64.34 64.48 3fi0 n VAL 27 Cb 0.50 -1.17 -0.06 0.00 -0.91 0.00 0.00 33.84 32.20 3fi0 n VAL 27 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3fi0 n GLU 28 N -2.25 0.31 0.33 5.55 4.07 -1.18 -4.62 120.64 122.85 3fi0 n GLU 28 Ca 0.02 0.08 0.21 0.00 -0.06 0.00 0.00 57.16 57.40 3fi0 n GLU 28 Cb 0.23 -1.23 1.12 0.00 -0.06 0.00 0.00 31.44 31.50 3fi0 n GLU 28 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3fi0 h LEU 29 N -0.04 0.00 0.00 4.31 3.38 -1.32 -2.33 115.31 119.31 3fi0 h LEU 29 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3fi0 h LEU 29 Cb 1.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.18 3fi0 h LEU 29 CO -0.06 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.48 3fi0 n GLN 30 N -3.28 0.09 0.02 1.13 10.64 -0.86 -1.64 117.38 123.48 3fi0 n GLN 30 Ca -0.03 0.18 0.02 0.00 -1.83 0.00 0.00 57.00 55.34 3fi0 n GLN 30 Cb 0.09 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 27.87 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 -1.42 0.70 0.10 2.61 8.25 -0.88 -4.19 115.22 120.39 3fi0 n HIS 31 Ca 0.06 0.23 0.05 0.00 -0.26 0.00 0.00 57.72 57.79 3fi0 n HIS 31 Cb 0.17 -0.97 0.10 0.00 1.12 0.00 0.00 29.99 30.41 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 -2.75 1.77 -4.10 -0.41 0.28 -1.07 -5.00 120.64 109.36 3fi0 n GLU 32 Ca -0.11 -1.60 -0.09 0.00 -0.16 0.00 0.00 57.16 55.20 3fi0 n GLU 32 Cb 0.81 -1.22 -0.10 0.00 1.43 0.00 0.00 31.44 32.35 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 -0.93 0.65 -0.56 -1.84 1.51 -0.65 -4.59 117.35 110.93 3fi0 s TYR 33 Ca 0.17 -0.86 -0.19 0.00 -1.01 0.00 0.00 57.07 55.18 3fi0 s TYR 33 Cb 0.10 -0.41 0.09 0.00 -0.11 0.00 0.00 41.96 41.62 3fi0 s TYR 33 CO 0.14 -0.23 0.67 1.21 -1.11 0.00 0.00 175.55 176.23 3fi0 s ASN 34 N -2.59 6.20 -0.15 2.29 3.04 0.08 -4.68 114.94 119.12 3fi0 s ASN 34 Ca 0.03 -1.24 -0.07 0.00 0.04 0.00 0.00 52.86 51.63 3fi0 s ASN 34 Cb 0.02 -2.30 -0.04 0.00 -1.54 0.00 0.00 41.25 37.40 3fi0 s ASN 34 CO -0.05 -1.02 0.08 0.00 -3.04 0.00 0.00 177.10 173.06 3fi0 s TYR 36 N -0.23 2.84 -0.33 0.00 2.02 0.14 -1.46 117.35 120.32 3fi0 s TYR 36 Ca 0.09 -0.81 0.02 0.00 -0.37 0.00 0.00 57.07 55.99 3fi0 s TYR 36 Cb -0.12 -1.91 0.09 0.00 -0.40 0.00 0.00 41.96 39.62 3fi0 s TYR 36 CO 0.01 -0.35 0.04 -0.06 -1.57 0.00 0.00 175.55 173.62 3fi0 s PHE 37 N 0.71 3.56 -0.25 2.71 0.40 0.92 -0.69 117.98 125.33 3fi0 s PHE 37 Ca -0.06 -2.58 -0.08 0.00 -0.60 0.00 0.00 56.93 53.61 3fi0 s PHE 37 Cb -0.15 -2.67 -0.03 0.00 0.51 0.00 0.00 43.02 40.68 3fi0 s PHE 37 CO 0.02 -0.92 0.09 0.00 0.70 0.00 0.00 175.22 175.11 3fi0 s ILE 39 N 1.58 4.09 -1.43 0.00 1.01 -0.16 0.10 121.20 126.39 3fi0 s ILE 39 Ca 0.06 0.26 -0.14 0.00 0.00 0.00 0.00 60.65 60.83 3fi0 s ILE 39 Cb -0.15 -4.73 0.05 0.00 0.01 0.00 0.00 42.46 37.64 3fi0 s ILE 39 CO 0.05 -1.49 2.15 1.33 0.00 0.00 0.00 174.94 176.99 3fi0 n VAL 40 N 6.27 3.57 0.32 2.92 0.24 0.59 -1.03 118.33 131.20 3fi0 n VAL 40 Ca 0.02 -3.22 0.16 0.00 -2.04 0.00 0.00 64.34 59.25 3fi0 n VAL 40 Cb 0.48 -2.57 0.68 0.00 -1.47 0.00 0.00 33.84 30.96 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 6.13 0.00 1.00 -1.34 2.03 -1.92 -2.79 116.42 119.52 3fi0 h ASP 41 Ca 0.54 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.66 3fi0 h ASP 41 Cb 0.66 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.13 3fi0 h ASP 41 CO 1.83 0.00 -1.06 1.56 -1.03 0.00 0.00 179.24 180.53 3fi0 h GLN 42 N 0.00 0.00 0.00 4.15 4.20 -1.96 -3.22 115.11 118.28 3fi0 h GLN 42 Ca 0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 3fi0 h GLN 42 Cb 0.34 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3fi0 h GLN 42 CO 0.00 0.61 -0.71 0.45 -0.67 0.00 0.00 178.83 178.51 3fi0 h HIS 43 N 0.00 0.00 0.00 2.96 3.86 -1.90 -3.21 115.15 116.85 3fi0 h HIS 43 Ca -0.09 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.10 3fi0 h HIS 43 Cb 1.66 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.12 3fi0 h HIS 43 CO 0.00 0.71 -0.12 0.00 0.86 0.00 0.00 177.93 179.38 3fi0 h ALA 44 N 1.29 1.50 -0.17 2.45 0.00 -1.52 -2.44 119.26 120.37 3fi0 h ALA 44 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3fi0 h ALA 44 Cb 1.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3fi0 h ALA 44 CO 0.09 0.16 0.00 0.44 0.00 0.00 0.00 179.25 179.94 3fi0 n ILE 45 N -3.97 0.22 0.55 0.00 -5.35 -1.21 -3.17 119.36 106.43 3fi0 n ILE 45 Ca -0.02 -0.25 0.12 0.00 -0.27 0.00 0.00 62.75 62.32 3fi0 n ILE 45 Cb 0.21 0.12 0.45 0.00 -1.74 0.00 0.00 39.64 38.69 3fi0 n ILE 45 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3fi0 n THR 46 N 0.02 0.69 -4.42 7.28 -2.24 -0.92 -4.74 114.28 109.95 3fi0 n THR 46 Ca 0.10 0.06 -0.21 0.00 -2.27 0.00 0.00 64.05 61.73 3fi0 n THR 46 Cb 0.19 -0.89 -0.10 0.00 -2.10 0.00 0.00 70.33 67.43 3fi0 n THR 46 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3fi0 s VAL 47 N -3.16 1.31 0.21 2.28 -7.23 -1.19 -4.61 120.40 108.00 3fi0 s VAL 47 Ca 0.08 -2.04 -0.32 0.00 -1.81 0.00 0.00 61.98 57.88 3fi0 s VAL 47 Cb 0.11 -2.60 -0.12 0.00 0.56 0.00 0.00 36.38 34.33 3fi0 s VAL 47 CO 0.45 -0.16 1.70 1.87 -0.31 0.00 0.00 175.10 178.65 3fi0 n TRP 48 N -0.60 2.70 -4.35 2.82 -0.00 -1.26 -4.99 117.44 111.75 3fi0 n TRP 48 Ca -0.04 0.07 -0.18 0.00 -0.00 0.00 0.00 57.50 57.35 3fi0 n TRP 48 Cb 0.65 -2.66 -0.15 0.00 -0.00 0.00 0.00 31.31 29.16 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 1.07 0.72 -0.30 5.87 -1.52 -1.26 -5.03 119.66 119.21 3fi0 s GLN 49 Ca 0.75 -0.34 -0.21 0.00 -1.95 0.00 0.00 55.36 53.61 3fi0 s GLN 49 Cb -0.53 -0.69 -0.01 0.00 -0.22 0.00 0.00 33.01 31.56 3fi0 s GLN 49 CO 0.34 0.19 0.67 0.34 -0.25 0.00 0.00 175.29 176.57 3fi0 s ASP 50 N -0.26 6.55 0.27 5.90 3.68 -1.26 -4.95 116.67 126.61 3fi0 s ASP 50 Ca 0.03 0.53 -0.02 0.00 2.13 0.00 0.00 52.55 55.22 3fi0 s ASP 50 Cb -0.04 -2.35 0.59 0.00 -1.45 0.00 0.00 42.92 39.67 3fi0 s ASP 50 CO -0.00 -0.49 1.62 -0.65 0.13 0.00 0.00 175.17 175.77 3fi0 h PRO 51 N 8.12 0.10 -0.50 4.34 0.11 -2.00 -1.08 132.00 141.09 3fi0 h PRO 51 Ca -0.26 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 3fi0 h PRO 51 Cb 1.11 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3fi0 h PRO 51 CO 0.82 0.07 0.28 1.25 -0.21 0.00 0.00 178.00 180.20 3fi0 h HIS 52 N 0.10 0.66 0.13 0.65 2.76 -2.00 -2.63 115.15 114.83 3fi0 h HIS 52 Ca 0.50 -0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 58.39 3fi0 h HIS 52 Cb 0.95 -0.22 0.01 0.00 1.55 0.00 0.00 27.41 29.70 3fi0 h HIS 52 CO -0.41 0.46 -1.25 0.93 -1.30 0.00 0.00 177.93 176.36 3fi0 h GLU 53 N 0.69 0.30 0.36 5.26 5.08 -1.63 -2.64 114.58 122.00 3fi0 h GLU 53 Ca 0.18 -0.51 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 3fi0 h GLU 53 Cb 0.01 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3fi0 h GLU 53 CO -0.03 1.24 -0.17 1.25 -1.00 0.00 0.00 179.01 180.29 3fi0 h LEU 54 N 0.09 -0.41 -0.91 1.33 5.85 -1.24 0.64 115.31 120.66 3fi0 h LEU 54 Ca -0.14 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.74 3fi0 h LEU 54 Cb 1.97 0.11 -0.10 0.00 0.37 0.00 0.00 40.66 43.01 3fi0 h LEU 54 CO 0.21 -0.28 0.50 -0.09 -0.34 0.00 0.00 178.44 178.44 3fi0 h ARG 55 N -0.50 0.66 -0.16 1.25 9.65 -1.56 -1.06 114.38 122.66 3fi0 h ARG 55 Ca -0.05 -0.04 -0.12 0.00 -1.10 0.00 0.00 59.98 58.67 3fi0 h ARG 55 Cb 0.38 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 3fi0 h ARG 55 CO 0.08 0.44 -0.39 0.37 2.80 0.00 0.00 179.97 183.27 3fi0 h GLN 56 N 0.68 0.54 -0.02 0.20 -0.00 -1.04 -3.16 115.11 112.31 3fi0 h GLN 56 Ca 0.50 -0.37 -0.06 0.00 -0.00 0.00 0.00 58.65 58.72 3fi0 h GLN 56 Cb 0.73 0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.25 3fi0 h GLN 56 CO -0.37 0.99 -0.29 -0.91 0.00 0.00 0.00 178.83 178.25 3fi0 h ASN 57 N 0.18 0.04 0.22 -0.69 2.35 0.95 -1.98 115.58 116.64 3fi0 h ASN 57 Ca -0.00 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3fi0 h ASN 57 Cb 0.99 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.36 3fi0 h ASN 57 CO 0.08 0.33 -0.10 0.40 -1.65 0.00 0.00 177.43 176.49 3fi0 h ILE 58 N 0.04 0.87 0.12 2.81 2.04 -1.24 -1.19 117.51 120.95 3fi0 h ILE 58 Ca 0.00 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.32 3fi0 h ILE 58 Cb 0.54 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 3fi0 h ILE 58 CO 0.04 0.12 -0.13 -0.09 0.00 0.00 0.00 178.15 178.09 3fi0 h ARG 59 N -0.57 -0.27 -0.73 2.37 2.43 -1.51 -1.74 114.38 114.35 3fi0 h ARG 59 Ca -0.03 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.29 3fi0 h ARG 59 Cb 0.42 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.94 3fi0 h ARG 59 CO 0.05 -0.18 0.29 -0.09 -1.51 0.00 0.00 179.97 178.53 3fi0 h ARG 60 N -0.28 0.44 -0.14 0.20 2.43 -1.38 -0.90 114.38 114.74 3fi0 h ARG 60 Ca 0.01 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3fi0 h ARG 60 Cb 0.28 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3fi0 h ARG 60 CO -0.04 0.29 -0.05 1.25 -1.51 0.00 0.00 179.97 179.91 3fi0 h LEU 61 N 0.45 0.29 -0.85 3.80 5.85 -0.98 -2.38 115.31 121.50 3fi0 h LEU 61 Ca 0.39 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.77 3fi0 h LEU 61 Cb 0.57 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 3fi0 h LEU 61 CO -0.38 0.61 0.54 0.00 -0.34 0.00 0.00 178.44 178.87 3fi0 h ALA 62 N 0.69 1.14 -0.11 1.25 0.00 -0.86 -1.38 119.26 119.99 3fi0 h ALA 62 Ca 0.03 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3fi0 h ALA 62 Cb 0.49 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3fi0 h ALA 62 CO 0.02 0.34 -0.29 0.00 0.00 0.00 0.00 179.25 179.32 3fi0 h ALA 63 N 1.37 1.30 -0.18 0.00 0.00 -1.16 -2.48 119.26 118.12 3fi0 h ALA 63 Ca 0.35 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 3fi0 h ALA 63 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3fi0 h ALA 63 CO -0.14 0.48 -0.49 -0.07 0.00 0.00 0.00 179.25 179.03 3fi0 h LEU 64 N 0.19 0.52 -0.58 0.00 3.38 -0.75 0.36 115.31 118.43 3fi0 h LEU 64 Ca 0.03 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.59 3fi0 h LEU 64 Cb 0.61 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3fi0 h LEU 64 CO 0.04 0.92 -0.52 1.88 0.09 0.00 0.00 178.44 180.86 3fi0 h TYR 65 N 0.38 0.63 0.16 1.13 -1.99 -1.03 0.29 116.97 116.53 3fi0 h TYR 65 Ca 0.02 -0.21 -0.01 0.00 2.00 0.00 0.00 58.73 60.53 3fi0 h TYR 65 Cb 1.00 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 39.61 3fi0 h TYR 65 CO 0.04 0.92 -0.07 -0.07 -0.00 0.00 0.00 178.16 178.97 3fi0 h LEU 66 N 0.40 -0.18 -0.69 3.88 3.38 -1.32 0.21 115.31 120.99 3fi0 h LEU 66 Ca 0.01 -0.36 0.15 0.00 0.09 0.00 0.00 57.88 57.77 3fi0 h LEU 66 Cb 1.04 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.72 3fi0 h LEU 66 CO 0.10 0.37 -0.01 0.00 0.09 0.00 0.00 178.44 178.99 3fi0 h ALA 67 N -0.25 0.68 0.00 1.53 0.00 -0.25 0.30 119.26 121.27 3fi0 h ALA 67 Ca -0.02 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3fi0 h ALA 67 Cb 0.53 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3fi0 h ALA 67 CO 0.04 -0.41 -0.02 0.28 0.00 0.00 0.00 179.25 179.14 3fi0 h VAL 68 N 0.10 0.12 0.00 0.00 2.07 -0.39 -3.44 116.25 114.71 3fi0 h VAL 68 Ca 0.36 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.67 3fi0 h VAL 68 Cb 0.61 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3fi0 h VAL 68 CO -0.60 0.02 0.00 0.61 0.02 0.00 0.00 177.57 177.61 3fi0 n GLY 69 N -0.75 0.88 3.71 2.17 0.00 0.11 -4.97 105.19 106.34 3fi0 n GLY 69 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.54 3.30 -0.39 -0.61 -1.09 0.73 -4.78 121.20 116.82 3fi0 s ILE 70 Ca 0.00 0.86 -0.11 0.00 -2.23 0.00 0.00 60.65 59.18 3fi0 s ILE 70 Cb 0.00 -3.55 0.04 0.00 -1.58 0.00 0.00 42.46 37.37 3fi0 s ILE 70 CO 0.00 0.04 0.22 -0.62 -1.23 0.00 0.00 174.94 173.35 3fi0 s ASP 71 N 1.49 5.73 0.63 3.58 2.15 -1.26 -4.48 116.67 124.50 3fi0 s ASP 71 Ca 0.66 -1.12 0.35 0.00 0.43 0.00 0.00 52.55 52.87 3fi0 s ASP 71 Cb -0.37 -2.02 1.99 0.00 -0.30 0.00 0.00 42.92 42.23 3fi0 s ASP 71 CO 0.30 -0.43 2.23 1.55 -0.17 0.00 0.00 175.17 178.64 3fi0 h PRO 72 N 8.44 0.00 -0.15 4.34 0.13 -1.93 1.92 132.00 144.75 3fi0 h PRO 72 Ca -0.25 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.70 3fi0 h PRO 72 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3fi0 h PRO 72 CO 0.69 0.00 -0.65 1.79 -0.23 0.00 0.00 178.00 179.61 3fi0 h THR 73 N 0.00 1.33 0.04 1.56 1.35 -2.00 -3.36 112.91 111.84 3fi0 h THR 73 Ca 0.02 -1.94 -0.23 0.00 -0.55 0.00 0.00 66.41 63.70 3fi0 h THR 73 Cb 0.19 1.92 -0.02 0.00 -1.73 0.00 0.00 68.15 68.51 3fi0 h THR 73 CO -0.00 0.60 -1.25 -0.61 -0.25 0.00 0.00 175.52 174.01 3fi0 h GLN 74 N 0.40 0.09 -5.82 4.72 5.75 -0.46 -3.49 115.11 116.31 3fi0 h GLN 74 Ca -0.01 -0.16 -0.58 0.00 -0.15 0.00 0.00 58.65 57.74 3fi0 h GLN 74 Cb 1.22 0.06 -0.09 0.00 1.07 0.00 0.00 27.48 29.74 3fi0 h GLN 74 CO 0.12 1.08 -0.49 0.00 -2.65 0.00 0.00 178.83 176.89 3fi0 s ALA 75 N -2.40 3.69 -0.31 3.38 0.00 0.60 -4.66 121.76 122.06 3fi0 s ALA 75 Ca -0.25 -1.87 -0.05 0.00 0.00 0.00 0.00 51.96 49.79 3fi0 s ALA 75 Cb 0.05 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.86 3fi0 s ALA 75 CO 0.67 -0.18 0.06 0.99 0.00 0.00 0.00 175.76 177.30 3fi0 s THR 76 N -2.65 3.55 -0.23 0.00 2.01 -0.54 -4.33 115.64 113.45 3fi0 s THR 76 Ca 0.37 -1.09 0.00 0.00 0.31 0.00 0.00 61.69 61.28 3fi0 s THR 76 Cb 0.04 -2.96 0.03 0.00 0.01 0.00 0.00 72.50 69.62 3fi0 s THR 76 CO 0.20 -0.07 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.73 3fi0 s LEU 77 N 1.38 2.95 0.22 4.42 2.96 -1.26 -0.06 118.68 129.30 3fi0 s LEU 77 Ca -0.01 -0.94 -0.08 0.00 -0.22 0.00 0.00 54.13 52.88 3fi0 s LEU 77 Cb -0.19 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 3fi0 s LEU 77 CO 0.01 -0.11 0.31 0.72 -1.32 0.00 0.00 176.35 175.97 3fi0 s PHE 78 N 1.26 0.68 -0.21 5.38 -0.71 -0.57 -4.22 117.98 119.58 3fi0 s PHE 78 Ca -0.01 -0.98 -0.12 0.00 -1.04 0.00 0.00 56.93 54.78 3fi0 s PHE 78 Cb -0.16 -0.14 -0.05 0.00 -1.21 0.00 0.00 43.02 41.46 3fi0 s PHE 78 CO -0.07 -0.81 0.20 0.42 -1.34 0.00 0.00 175.22 173.62 3fi0 s ILE 79 N -4.06 5.35 0.18 -4.49 1.01 -1.26 -0.99 121.20 116.93 3fi0 s ILE 79 Ca 0.28 0.31 -0.20 0.00 0.00 0.00 0.00 60.65 61.03 3fi0 s ILE 79 Cb 0.03 -3.54 0.12 0.00 0.01 0.00 0.00 42.46 39.08 3fi0 s ILE 79 CO 0.09 0.37 1.59 -0.61 0.00 0.00 0.00 174.94 176.38 3fi0 h GLN 80 N 7.12 -0.16 0.00 2.79 4.15 -1.44 -1.62 115.11 125.96 3fi0 h GLN 80 Ca -0.39 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.04 3fi0 h GLN 80 Cb 1.16 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.89 3fi0 h GLN 80 CO 0.71 -0.11 0.14 0.66 -1.93 0.00 0.00 178.83 178.31 3fi0 h SER 81 N -0.17 0.00 -0.07 -0.69 4.64 -1.95 -0.41 113.55 114.90 3fi0 h SER 81 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3fi0 h SER 81 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3fi0 h SER 81 CO -0.65 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 174.69 3fi0 n GLU 82 N -2.46 1.70 -3.80 4.77 1.02 -0.61 -4.39 120.64 116.87 3fi0 n GLU 82 Ca -0.02 -1.03 -0.30 0.00 -0.02 0.00 0.00 57.16 55.79 3fi0 n GLU 82 Cb 0.18 -1.45 -0.14 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 -1.92 1.79 0.64 2.62 1.01 -0.16 -4.94 120.40 119.43 3fi0 s VAL 83 Ca 0.36 -2.71 0.36 0.00 0.00 0.00 0.00 61.98 59.98 3fi0 s VAL 83 Cb 0.20 -2.26 0.39 0.00 0.00 0.00 0.00 36.38 34.70 3fi0 s VAL 83 CO 0.31 -0.84 2.20 -0.65 0.00 0.00 0.00 175.10 176.13 3fi0 h PRO 84 N 6.79 0.00 -0.03 2.72 0.11 -1.79 -2.06 132.00 137.75 3fi0 h PRO 84 Ca -0.04 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.08 3fi0 h PRO 84 Cb 0.93 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 3fi0 h PRO 84 CO 0.55 0.00 0.32 0.00 -0.21 0.00 0.00 178.00 178.66 3fi0 h ALA 85 N 1.81 1.37 -0.13 -0.75 0.00 -1.92 -1.00 119.26 118.65 3fi0 h ALA 85 Ca 0.02 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3fi0 h ALA 85 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3fi0 h ALA 85 CO -0.00 -0.33 -0.37 0.45 0.00 0.00 0.00 179.25 179.00 3fi0 h HIS 86 N 0.00 0.61 0.00 0.00 3.86 -1.69 -1.09 115.15 116.84 3fi0 h HIS 86 Ca 0.01 -0.24 -0.11 0.00 -1.16 0.00 0.00 60.37 58.87 3fi0 h HIS 86 Cb 0.65 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 29.00 3fi0 h HIS 86 CO 0.00 0.98 -0.52 0.00 0.86 0.00 0.00 177.93 179.25 3fi0 h ALA 87 N 0.51 0.85 0.20 2.45 0.00 -1.41 -2.50 119.26 119.36 3fi0 h ALA 87 Ca -0.01 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3fi0 h ALA 87 Cb 0.98 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3fi0 h ALA 87 CO 0.08 0.66 -0.10 1.96 0.00 0.00 0.00 179.25 181.85 3fi0 h GLN 88 N 0.00 -0.26 -0.73 0.00 4.20 -1.43 -2.75 115.11 114.14 3fi0 h GLN 88 Ca -0.01 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.73 3fi0 h GLN 88 Cb 1.14 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.94 3fi0 h GLN 88 CO 0.07 0.14 0.49 0.00 -0.67 0.00 0.00 178.83 178.86 3fi0 h ALA 89 N -0.31 1.48 -0.10 3.87 0.00 -1.28 -2.43 119.26 120.50 3fi0 h ALA 89 Ca -0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3fi0 h ALA 89 Cb 0.52 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3fi0 h ALA 89 CO 0.04 0.48 -0.14 0.00 0.00 0.00 0.00 179.25 179.64 3fi0 h ALA 90 N 1.54 1.60 0.00 0.00 0.00 -1.48 -1.45 119.26 119.47 3fi0 h ALA 90 Ca 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3fi0 h ALA 90 Cb -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3fi0 h ALA 90 CO -0.06 0.30 0.00 1.87 0.00 0.00 0.00 179.25 181.36 3fi0 n TRP 91 N -4.30 0.00 0.00 0.00 -0.00 -0.92 -1.74 117.44 110.48 3fi0 n TRP 91 Ca -0.01 -0.26 0.00 0.00 -0.00 0.00 0.00 57.50 57.22 3fi0 n TRP 91 Cb 0.25 -0.17 0.00 0.00 -0.00 0.00 0.00 31.31 31.39 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 0.45 0.00 0.23 5.87 4.77 -0.55 -2.69 117.00 125.08 3fi0 n LEU 93 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 3fi0 n LEU 93 Cb 0.33 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 41.93 3fi0 n LEU 93 CO 0.00 0.00 0.83 -0.61 -1.33 0.00 0.00 177.39 176.28 3fi0 h GLN 94 N 0.00 0.00 0.00 3.23 4.15 -1.60 -0.71 115.11 120.18 3fi0 h GLN 94 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3fi0 h GLN 94 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3fi0 h GLN 94 CO 0.00 0.23 -0.08 0.00 -1.93 0.00 0.00 178.83 177.05 3fi0 n ILE 96 N -2.82 0.00 -2.58 0.00 -5.35 -0.89 -4.96 119.36 102.76 3fi0 n ILE 96 Ca 0.04 -0.34 -0.33 0.00 -0.27 0.00 0.00 62.75 61.86 3fi0 n ILE 96 Cb 0.50 0.31 -0.05 0.00 -1.74 0.00 0.00 39.64 38.66 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 -3.18 4.39 -0.05 7.28 0.11 -0.32 -5.05 120.40 123.58 3fi0 s VAL 97 Ca -0.03 1.32 -0.06 0.00 -2.93 0.00 0.00 61.98 60.28 3fi0 s VAL 97 Cb 0.13 -3.64 -0.04 0.00 -1.53 0.00 0.00 36.38 31.30 3fi0 s VAL 97 CO 0.79 -0.49 0.20 -0.31 -3.33 0.00 0.00 175.10 171.96 3fi0 s TYR 98 N -2.38 3.59 0.31 1.54 2.02 -1.26 -4.94 117.35 116.22 3fi0 s TYR 98 Ca 0.61 0.53 0.03 0.00 -0.37 0.00 0.00 57.07 57.87 3fi0 s TYR 98 Cb -0.10 -1.95 0.63 0.00 -0.40 0.00 0.00 41.96 40.14 3fi0 s TYR 98 CO 0.23 0.68 1.85 0.82 -1.57 0.00 0.00 175.55 177.56 3fi0 h ILE 99 N 3.43 0.91 -0.51 2.71 2.04 -1.96 -1.59 117.51 122.54 3fi0 h ILE 99 Ca -0.52 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.05 3fi0 h ILE 99 Cb 1.21 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 3fi0 h ILE 99 CO 0.63 0.17 0.31 1.23 0.00 0.00 0.00 178.15 180.49 3fi0 h GLY 100 N 0.91 0.72 1.65 5.37 0.00 -1.99 -1.23 103.07 108.51 3fi0 h GLY 100 Ca 0.47 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 3fi0 h GLY 100 CO -0.23 0.21 0.16 0.83 0.00 0.00 0.00 176.54 177.51 3fi0 h GLU 101 N 0.62 0.47 -0.09 4.80 5.08 -1.70 0.25 114.58 124.01 3fi0 h GLU 101 Ca 0.20 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.31 3fi0 h GLU 101 Cb 0.00 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.17 3fi0 h GLU 101 CO -0.08 0.37 -0.73 -0.07 -1.00 0.00 0.00 179.01 177.50 3fi0 h LEU 102 N 0.47 0.80 -0.87 1.33 3.38 -1.13 -3.24 115.31 116.04 3fi0 h LEU 102 Ca 0.12 -0.67 -0.11 0.00 0.09 0.00 0.00 57.88 57.31 3fi0 h LEU 102 Cb 0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3fi0 h LEU 102 CO -0.02 1.34 -0.35 -0.33 0.09 0.00 0.00 178.44 179.18 3fi0 h GLU 103 N 0.31 0.41 -5.41 1.13 5.08 -0.82 -3.47 114.58 111.82 3fi0 h GLU 103 Ca -0.06 -0.18 -0.27 0.00 -1.00 0.00 0.00 59.36 57.85 3fi0 h GLU 103 Cb 1.37 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.58 3fi0 h GLU 103 CO 0.15 0.71 0.85 1.03 -1.00 0.00 0.00 179.01 180.75 3fi0 s ARG 104 N -4.30 2.23 -0.23 2.33 0.52 0.04 -4.95 118.95 114.60 3fi0 s ARG 104 Ca -0.06 -0.97 0.02 0.00 -0.52 0.00 0.00 55.73 54.20 3fi0 s ARG 104 Cb 0.13 -5.18 -0.16 0.00 0.52 0.00 0.00 34.95 30.27 3fi0 s ARG 104 CO 0.79 -4.26 -0.20 0.25 0.02 0.00 0.00 175.30 171.90 3fi0 n THR 106 N 8.06 1.35 0.00 0.02 -2.24 -1.26 -5.10 114.28 115.11 3fi0 n THR 106 Ca 0.44 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3fi0 n THR 106 Cb 0.47 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 3fi0 n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fi0 n GLN 107 N -3.18 1.57 0.00 -0.78 3.00 -1.26 -5.29 117.38 111.45 3fi0 n GLN 107 Ca -0.41 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.58 3fi0 n GLN 107 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 30.24 31.19 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 -0.40 0.00 -1.66 5.09 0.31 -1.26 -5.18 118.33 115.23 3fi0 n VAL 118 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.89 3fi0 n VAL 118 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 3fi0 n VAL 118 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3fi0 n SER 119 N 0.00 2.54 0.29 4.52 2.88 -1.26 -4.84 113.62 117.76 3fi0 n SER 119 Ca 0.00 1.16 0.16 0.00 -1.33 0.00 0.00 58.87 58.87 3fi0 n SER 119 Cb 0.00 -1.42 0.91 0.00 -0.75 0.00 0.00 64.21 62.95 3fi0 n SER 119 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3fi0 h ALA 120 N 3.56 1.26 0.00 -1.46 0.00 -2.01 -1.20 119.26 119.41 3fi0 h ALA 120 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3fi0 h ALA 120 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3fi0 h ALA 120 CO 0.71 0.05 0.00 0.78 0.00 0.00 0.00 179.25 180.79 3fi0 h GLY 121 N 0.48 0.00 2.00 0.00 0.00 -1.90 0.76 103.07 104.42 3fi0 h GLY 121 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3fi0 h GLY 121 CO 0.01 0.00 -0.21 1.41 0.00 0.00 0.00 176.54 177.75 3fi0 h LEU 122 N 0.00 0.00 0.00 3.11 4.07 -1.47 -2.60 115.31 118.42 3fi0 h LEU 122 Ca 0.00 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.62 3fi0 h LEU 122 Cb 0.25 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.93 3fi0 h LEU 122 CO 0.00 0.21 -2.26 -0.11 -1.08 0.00 0.00 178.44 175.20 3fi0 n LEU 123 N -3.17 0.06 -0.93 1.67 7.94 -0.15 -4.62 117.00 117.79 3fi0 n LEU 123 Ca 0.03 -0.00 0.10 0.00 -1.11 0.00 0.00 56.01 55.03 3fi0 n LEU 123 Cb 0.58 0.43 0.15 0.00 0.53 0.00 0.00 43.42 45.11 3fi0 n LEU 123 CO 0.36 0.46 0.63 0.35 -1.11 0.00 0.00 177.39 178.08 3fi0 n THR 124 N -2.69 0.31 0.27 1.96 -2.24 0.08 -4.50 114.28 107.47 3fi0 n THR 124 Ca -0.30 -0.65 0.14 0.00 -2.27 0.00 0.00 64.05 60.96 3fi0 n THR 124 Cb 1.09 1.14 0.74 0.00 -2.10 0.00 0.00 70.33 71.21 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 3.94 0.00 -0.93 4.78 -0.00 -1.70 -3.27 116.97 119.79 3fi0 h TYR 125 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.72 3fi0 h TYR 125 Cb 0.88 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.56 3fi0 h TYR 125 CO 0.13 0.11 0.56 -1.35 -0.00 0.00 0.00 178.16 177.61 3fi0 h PRO 126 N 0.00 1.26 0.00 0.10 0.11 -1.88 -1.93 132.00 129.66 3fi0 h PRO 126 Ca -0.00 -0.11 -0.04 0.00 0.11 0.00 0.00 66.00 65.96 3fi0 h PRO 126 Cb 0.34 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 3fi0 h PRO 126 CO 0.01 0.88 -0.18 -1.35 -0.21 0.00 0.00 178.00 177.15 3fi0 h PRO 127 N 1.28 0.00 -0.99 1.05 0.11 -1.90 -0.45 132.00 131.10 3fi0 h PRO 127 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 3fi0 h PRO 127 Cb -0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.05 3fi0 h PRO 127 CO -0.06 0.18 0.00 -0.11 -0.21 0.00 0.00 178.00 177.80 3fi0 n LEU 128 N -3.46 1.17 0.00 2.35 7.94 -0.73 -1.61 117.00 122.66 3fi0 n LEU 128 Ca -0.01 -0.59 0.00 0.00 -1.11 0.00 0.00 56.01 54.31 3fi0 n LEU 128 Cb 0.36 -0.30 0.00 0.00 0.53 0.00 0.00 43.42 44.01 3fi0 n LEU 128 CO 0.32 0.22 0.00 0.00 -1.11 0.00 0.00 177.39 176.82 3fi0 n ALA 130 N 0.44 0.00 -0.11 1.96 0.00 -0.18 -1.80 120.51 120.82 3fi0 n ALA 130 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3fi0 n ALA 130 Cb 0.22 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.69 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 0.41 -0.89 0.00 0.00 -1.57 0.10 119.26 117.31 3fi0 h ALA 131 Ca 0.00 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.11 3fi0 h ALA 131 Cb 0.00 0.08 -0.14 0.00 0.00 0.00 0.00 17.79 17.73 3fi0 h ALA 131 CO 0.00 -0.31 -0.42 -0.44 0.00 0.00 0.00 179.25 178.07 3fi0 h ASP 132 N 0.22 -1.53 0.04 0.00 3.32 -1.62 0.54 116.42 117.38 3fi0 h ASP 132 Ca 0.18 0.30 -0.00 0.00 0.02 0.00 0.00 57.03 57.52 3fi0 h ASP 132 Cb 0.20 0.76 0.00 0.00 0.22 0.00 0.00 39.33 40.51 3fi0 h ASP 132 CO -0.22 -0.29 -0.02 0.40 -1.72 0.00 0.00 179.24 177.39 3fi0 h ILE 133 N -0.05 0.00 -1.11 0.35 2.04 -1.65 -3.34 117.51 113.75 3fi0 h ILE 133 Ca 0.28 -0.02 0.31 0.00 1.00 0.00 0.00 64.86 66.42 3fi0 h ILE 133 Cb 0.56 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.56 3fi0 h ILE 133 CO -0.91 0.00 0.75 -0.07 0.00 0.00 0.00 178.15 177.92 3fi0 h LEU 134 N -0.07 0.24 -1.47 1.44 3.38 -0.72 -2.15 115.31 115.97 3fi0 h LEU 134 Ca -0.01 0.05 0.21 0.00 0.09 0.00 0.00 57.88 58.22 3fi0 h LEU 134 Cb 0.04 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 3fi0 h LEU 134 CO 0.01 0.03 0.61 -0.07 0.09 0.00 0.00 178.44 179.11 3fi0 h LEU 135 N 0.21 0.44 -3.02 1.67 3.38 -1.01 -1.84 115.31 115.13 3fi0 h LEU 135 Ca 0.59 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.61 3fi0 h LEU 135 Cb 1.87 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.59 3fi0 h LEU 135 CO -0.18 0.17 0.00 -1.22 0.09 0.00 0.00 178.44 177.30 3fi0 n TYR 136 N -4.53 1.15 -3.71 1.13 4.01 -0.81 -4.42 117.16 109.98 3fi0 n TYR 136 Ca 0.20 -0.59 -0.22 0.00 -0.16 0.00 0.00 57.90 57.13 3fi0 n TYR 136 Cb 0.70 -0.16 0.03 0.00 -0.31 0.00 0.00 39.34 39.60 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 0.99 -1.36 -4.77 7.72 4.13 -0.69 -4.91 115.26 116.37 3fi0 n ASN 137 Ca 0.23 -0.84 -0.38 0.00 1.68 0.00 0.00 54.58 55.27 3fi0 n ASN 137 Cb 0.75 -3.97 -0.05 0.00 -1.54 0.00 0.00 39.78 34.97 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 -3.68 3.95 -0.23 3.41 -4.23 -1.25 -4.67 115.64 108.95 3fi0 s THR 138 Ca 0.03 1.70 -0.02 0.00 -1.18 0.00 0.00 61.69 62.23 3fi0 s THR 138 Cb -0.01 -3.98 -0.19 0.00 1.34 0.00 0.00 72.50 69.66 3fi0 s THR 138 CO 0.82 0.21 -0.08 0.47 -0.54 0.00 0.00 174.62 175.49 3fi0 n ASP 139 N 0.68 2.01 -4.19 3.99 8.00 -0.28 -4.21 116.55 122.55 3fi0 n ASP 139 Ca 0.01 -0.02 -0.27 0.00 0.71 0.00 0.00 54.79 55.23 3fi0 n ASP 139 Cb 0.49 -0.56 -0.16 0.00 -0.02 0.00 0.00 41.12 40.87 3fi0 n ASP 139 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fi0 s ILE 140 N -2.53 1.56 -0.23 0.53 1.01 -0.83 -0.94 121.20 119.79 3fi0 s ILE 140 Ca -0.32 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.52 3fi0 s ILE 140 Cb 0.09 -1.31 0.05 0.00 0.01 0.00 0.00 42.46 41.30 3fi0 s ILE 140 CO 0.63 0.44 -0.11 -0.69 0.00 0.00 0.00 174.94 175.21 3fi0 s VAL 141 N -0.34 1.95 -1.30 2.92 1.01 0.54 -2.26 120.40 122.92 3fi0 s VAL 141 Ca 0.05 -1.34 -0.18 0.00 0.00 0.00 0.00 61.98 60.51 3fi0 s VAL 141 Cb -0.09 -2.02 0.04 0.00 0.00 0.00 0.00 36.38 34.31 3fi0 s VAL 141 CO 0.00 0.09 1.84 -0.81 0.00 0.00 0.00 175.10 176.22 3fi0 n PRO 142 N 4.55 2.93 -4.32 2.72 -0.04 -1.25 -1.06 135.00 138.53 3fi0 n PRO 142 Ca -0.15 -3.05 -0.18 0.00 -0.04 0.00 0.00 63.50 60.08 3fi0 n PRO 142 Cb 0.44 -3.48 -0.10 0.00 -0.04 0.00 0.00 33.50 30.32 3fi0 n PRO 142 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3fi0 s VAL 143 N 4.84 1.61 0.04 0.52 -7.23 -1.26 -4.84 120.40 114.07 3fi0 s VAL 143 Ca 0.55 -2.14 -0.01 0.00 -1.81 0.00 0.00 61.98 58.56 3fi0 s VAL 143 Cb 0.05 -1.97 0.01 0.00 0.56 0.00 0.00 36.38 35.03 3fi0 s VAL 143 CO 0.06 -0.61 0.05 0.61 -0.31 0.00 0.00 175.10 174.90 3fi0 n GLY 144 N -0.27 -1.65 0.13 2.32 0.00 -1.26 -4.43 105.19 100.04 3fi0 n GLY 144 Ca -0.09 -1.59 0.01 0.00 0.00 0.00 0.00 46.02 44.36 3fi0 n GLY 144 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3fi0 n GLU 145 N -1.31 1.17 -0.00 1.61 2.13 -1.26 -3.28 120.64 119.69 3fi0 n GLU 145 Ca 0.01 -0.26 0.08 0.00 0.66 0.00 0.00 57.16 57.64 3fi0 n GLU 145 Cb 0.02 -1.06 -0.11 0.00 0.27 0.00 0.00 31.44 30.56 3fi0 n GLU 145 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3fi0 n ASP 146 N -0.29 0.96 -0.76 4.31 8.00 -1.26 -3.87 116.55 123.64 3fi0 n ASP 146 Ca 0.03 -0.47 0.10 0.00 0.71 0.00 0.00 54.79 55.16 3fi0 n ASP 146 Cb 0.06 1.36 0.07 0.00 -0.02 0.00 0.00 41.12 42.59 3fi0 n ASP 146 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fi0 n GLN 147 N -1.71 1.78 -0.24 -1.24 1.13 -1.21 -4.52 117.38 111.38 3fi0 n GLN 147 Ca 0.00 -1.59 0.04 0.00 -1.94 0.00 0.00 57.00 53.51 3fi0 n GLN 147 Cb 0.34 -1.39 0.16 0.00 0.11 0.00 0.00 30.24 29.45 3fi0 n GLN 147 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 3fi0 h LYS 148 N 3.72 0.17 -0.11 -1.09 3.64 -1.67 0.90 116.57 122.13 3fi0 h LYS 148 Ca 0.00 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 3fi0 h LYS 148 Cb 0.82 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 3fi0 h LYS 148 CO 0.00 0.11 -0.43 0.37 -2.27 0.00 0.00 179.45 177.24 3fi0 h GLN 149 N 0.17 0.26 -0.31 1.90 4.15 -1.85 -1.12 115.11 118.32 3fi0 h GLN 149 Ca 0.39 -0.13 -0.08 0.00 0.77 0.00 0.00 58.65 59.60 3fi0 h GLN 149 Cb 0.68 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.35 3fi0 h GLN 149 CO -0.57 0.65 -0.14 0.45 -1.93 0.00 0.00 178.83 177.29 3fi0 h HIS 150 N 0.22 0.59 0.12 3.99 3.86 0.19 -2.43 115.15 121.69 3fi0 h HIS 150 Ca 0.02 -0.10 -0.21 0.00 -1.16 0.00 0.00 60.37 58.92 3fi0 h HIS 150 Cb 0.85 -0.16 0.02 0.00 1.06 0.00 0.00 27.41 29.18 3fi0 h HIS 150 CO 0.02 0.67 -0.90 0.82 0.86 0.00 0.00 177.93 179.40 3fi0 h ILE 151 N 0.50 1.44 -0.99 2.45 1.08 0.68 -2.70 117.51 119.97 3fi0 h ILE 151 Ca 0.09 -2.45 0.20 0.00 -0.39 0.00 0.00 64.86 62.31 3fi0 h ILE 151 Cb 0.54 3.00 -0.10 0.00 -3.07 0.00 0.00 36.82 37.19 3fi0 h ILE 151 CO 0.03 0.71 0.61 -0.33 -0.69 0.00 0.00 178.15 178.49 3fi0 h GLU 152 N -0.18 0.67 -0.15 2.37 4.39 -1.18 -0.36 114.58 120.13 3fi0 h GLU 152 Ca -0.15 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.33 3fi0 h GLU 152 Cb 1.67 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 30.17 3fi0 h GLU 152 CO 0.17 0.44 -0.63 1.25 -1.16 0.00 0.00 179.01 179.08 3fi0 h LEU 153 N 0.69 0.82 -1.07 1.33 5.85 -1.44 -1.43 115.31 120.06 3fi0 h LEU 153 Ca 0.57 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3fi0 h LEU 153 Cb 0.98 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.77 3fi0 h LEU 153 CO -0.35 1.30 0.00 0.71 -0.34 0.00 0.00 178.44 179.76 3fi0 h THR 154 N 0.38 0.00 0.06 1.05 1.35 -1.03 -1.06 112.91 113.66 3fi0 h THR 154 Ca -0.04 -0.51 -0.25 0.00 -0.55 0.00 0.00 66.41 65.06 3fi0 h THR 154 Cb 1.27 1.45 -0.02 0.00 -1.73 0.00 0.00 68.15 69.12 3fi0 h THR 154 CO 0.13 0.00 -1.25 0.03 -0.25 0.00 0.00 175.52 174.18 3fi0 h ARG 155 N 0.00 0.12 -0.10 4.72 3.08 -0.96 -2.77 114.38 118.47 3fi0 h ARG 155 Ca 0.00 -0.20 -0.12 0.00 0.07 0.00 0.00 59.98 59.73 3fi0 h ARG 155 Cb 0.55 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.68 3fi0 h ARG 155 CO 0.00 1.02 -0.41 -0.44 -1.07 0.00 0.00 179.97 179.07 3fi0 h ASP 156 N 0.03 0.53 -0.62 7.04 3.32 -0.82 -2.26 116.42 123.65 3fi0 h ASP 156 Ca -0.12 -0.63 -0.02 0.00 0.02 0.00 0.00 57.03 56.28 3fi0 h ASP 156 Cb 1.90 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 41.26 3fi0 h ASP 156 CO 0.15 1.07 0.31 -0.07 -1.72 0.00 0.00 179.24 178.98 3fi0 h LEU 157 N 0.02 0.82 -0.14 1.55 3.38 -1.30 0.09 115.31 119.74 3fi0 h LEU 157 Ca -0.02 -0.09 -0.19 0.00 0.09 0.00 0.00 57.88 57.67 3fi0 h LEU 157 Cb 1.05 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.60 3fi0 h LEU 157 CO 0.09 0.70 -0.66 0.00 0.09 0.00 0.00 178.44 178.66 3fi0 h ALA 158 N 1.43 0.26 -0.80 1.53 0.00 -1.51 -1.41 119.26 118.76 3fi0 h ALA 158 Ca 0.22 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3fi0 h ALA 158 Cb 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3fi0 h ALA 158 CO -0.03 0.56 0.50 1.49 0.00 0.00 0.00 179.25 181.77 3fi0 h GLU 159 N 0.37 1.07 -0.35 0.00 4.81 -1.16 0.83 114.58 120.16 3fi0 h GLU 159 Ca -0.04 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.01 3fi0 h GLU 159 Cb 1.30 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 3fi0 h GLU 159 CO 0.14 0.74 -0.13 -0.09 -0.73 0.00 0.00 179.01 178.94 3fi0 h ARG 160 N 1.09 0.71 -0.41 1.92 2.43 -0.95 -1.60 114.38 117.58 3fi0 h ARG 160 Ca 0.29 -0.29 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 3fi0 h ARG 160 Cb -0.07 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3fi0 h ARG 160 CO -0.06 0.88 -0.30 0.35 -1.51 0.00 0.00 179.97 179.34 3fi0 h PHE 161 N 0.49 1.08 0.00 2.20 3.57 -1.05 -2.62 116.94 120.62 3fi0 h PHE 161 Ca 0.08 -0.30 -0.03 0.00 3.53 0.00 0.00 57.97 61.26 3fi0 h PHE 161 Cb 0.65 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 3fi0 h PHE 161 CO 0.05 1.11 -0.14 -0.91 -2.23 0.00 0.00 178.31 176.19 3fi0 h ASN 162 N 0.74 0.00 0.75 0.41 2.35 -0.77 -0.84 115.58 118.22 3fi0 h ASN 162 Ca 0.08 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.58 3fi0 h ASN 162 Cb 0.88 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.21 3fi0 h ASN 162 CO 0.08 0.14 -1.33 0.11 -1.65 0.00 0.00 177.43 174.78 3fi0 h LYS 163 N 0.00 0.01 0.02 0.81 1.57 -1.17 -2.78 116.57 115.04 3fi0 h LYS 163 Ca -0.00 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 3fi0 h LYS 163 Cb 0.31 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.64 3fi0 h LYS 163 CO 0.02 0.79 -0.36 -0.09 -0.57 0.00 0.00 179.45 179.24 3fi0 h ARG 164 N 0.00 0.20 -0.00 3.15 1.12 -1.07 -3.40 114.38 114.38 3fi0 h ARG 164 Ca -0.14 -0.25 0.00 0.00 -1.11 0.00 0.00 59.98 58.48 3fi0 h ARG 164 Cb 1.89 0.08 0.00 0.00 -0.01 0.00 0.00 29.97 31.92 3fi0 h ARG 164 CO 0.11 1.01 -0.23 0.66 -3.11 0.00 0.00 179.97 178.41 3fi0 n TYR 165 N -4.42 0.00 0.00 2.20 4.01 -0.36 -5.10 117.16 113.49 3fi0 n TYR 165 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 3fi0 n TYR 165 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 3fi0 n TYR 165 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fi0 n GLY 166 N 1.04 0.75 3.44 2.72 0.00 -1.05 -4.94 105.19 107.15 3fi0 n GLY 166 Ca 0.01 -2.26 -0.44 0.00 0.00 0.00 0.00 46.02 43.33 3fi0 n GLY 166 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fi0 s GLU 167 N -1.01 3.63 -0.20 1.61 0.41 -1.24 -3.69 118.70 118.21 3fi0 s GLU 167 Ca 0.00 -1.91 0.07 0.00 -0.41 0.00 0.00 54.97 52.73 3fi0 s GLU 167 Cb 0.00 -4.86 -0.21 0.00 -1.78 0.00 0.00 34.13 27.27 3fi0 s GLU 167 CO 0.00 -1.71 0.03 -0.11 -0.49 0.00 0.00 175.26 172.98 3fi0 n LEU 168 N 6.15 1.74 -4.83 1.80 7.94 -1.26 -5.00 117.00 123.54 3fi0 n LEU 168 Ca 0.24 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.81 3fi0 n LEU 168 Cb 0.48 -0.36 -0.06 0.00 0.53 0.00 0.00 43.42 44.01 3fi0 n LEU 168 CO 0.49 0.73 -0.22 -0.36 -1.11 0.00 0.00 177.39 176.92 3fi0 s PHE 169 N -2.52 3.39 0.24 1.96 0.08 -1.26 -5.01 117.98 114.85 3fi0 s PHE 169 Ca -0.22 0.27 -0.30 0.00 0.12 0.00 0.00 56.93 56.80 3fi0 s PHE 169 Cb 0.08 -1.78 -0.09 0.00 -0.57 0.00 0.00 43.02 40.66 3fi0 s PHE 169 CO 0.72 0.59 1.09 0.99 -0.10 0.00 0.00 175.22 178.51 3fi0 s THR 170 N -1.23 3.67 -0.45 0.64 2.01 -1.26 -5.03 115.64 113.99 3fi0 s THR 170 Ca 0.24 1.59 -0.24 0.00 0.31 0.00 0.00 61.69 63.59 3fi0 s THR 170 Cb -0.12 -4.01 0.03 0.00 0.01 0.00 0.00 72.50 68.40 3fi0 s THR 170 CO 0.15 0.34 0.85 -0.63 -0.69 0.00 0.00 174.62 174.64 3fi0 s ILE 171 N -0.85 4.58 0.83 1.82 1.09 -1.26 -4.79 121.20 122.62 3fi0 s ILE 171 Ca 0.46 0.60 -0.12 0.00 -1.10 0.00 0.00 60.65 60.49 3fi0 s ILE 171 Cb -0.31 -4.36 0.11 0.00 -1.06 0.00 0.00 42.46 36.84 3fi0 s ILE 171 CO 0.38 -0.75 1.19 -2.16 -0.10 0.00 0.00 174.94 173.50 3fi0 s PRO 172 N 3.48 1.66 0.05 2.79 0.04 -1.26 -4.90 135.00 136.87 3fi0 s PRO 172 Ca 0.33 -0.09 0.04 0.00 0.04 0.00 0.00 61.00 61.32 3fi0 s PRO 172 Cb -0.11 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 3fi0 s PRO 172 CO 0.24 -1.75 -0.12 -2.00 0.04 0.00 0.00 177.00 173.41 3fi0 s GLU 173 N -5.60 0.71 -0.49 4.56 2.12 -0.11 -4.94 118.70 114.96 3fi0 s GLU 173 Ca 0.65 -0.84 -0.05 0.00 0.36 0.00 0.00 54.97 55.09 3fi0 s GLU 173 Cb -0.09 -0.63 0.13 0.00 0.26 0.00 0.00 34.13 33.79 3fi0 s GLU 173 CO 0.49 0.14 0.31 0.00 -0.54 0.00 0.00 175.26 175.66 3fi0 s ALA 174 N -1.23 3.34 -0.29 6.30 0.00 -1.26 0.20 121.76 128.83 3fi0 s ALA 174 Ca -0.04 -2.72 -0.14 0.00 0.00 0.00 0.00 51.96 49.06 3fi0 s ALA 174 Cb -0.10 -2.61 0.10 0.00 0.00 0.00 0.00 23.12 20.51 3fi0 s ALA 174 CO 0.01 -1.91 0.67 0.50 0.00 0.00 0.00 175.76 175.04 3fi0 s ARG 175 N 0.91 0.66 -0.58 0.00 3.52 -0.22 -4.88 118.95 118.36 3fi0 s ARG 175 Ca 0.10 1.31 -0.24 0.00 -0.13 0.00 0.00 55.73 56.76 3fi0 s ARG 175 Cb -0.23 0.39 0.04 0.00 -1.56 0.00 0.00 34.95 33.60 3fi0 s ARG 175 CO -0.03 -0.17 0.99 0.42 -0.81 0.00 0.00 175.30 175.70 3fi0 s ILE 176 N 2.07 4.30 -0.04 4.11 1.01 -1.26 -3.89 121.20 127.50 3fi0 s ILE 176 Ca -0.09 0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 3fi0 s ILE 176 Cb -0.07 -4.60 -0.04 0.00 0.01 0.00 0.00 42.46 37.75 3fi0 s ILE 176 CO -0.20 -1.23 1.35 -2.16 0.00 0.00 0.00 174.94 172.70 3fi0 s PRO 177 N 4.17 4.28 -1.20 2.79 0.04 -1.26 -1.66 135.00 142.17 3fi0 s PRO 177 Ca 0.31 1.86 -0.17 0.00 0.04 0.00 0.00 61.00 63.04 3fi0 s PRO 177 Cb -0.12 -3.64 -0.01 0.00 0.04 0.00 0.00 34.50 30.78 3fi0 s PRO 177 CO 0.18 -0.59 0.72 1.63 0.04 0.00 0.00 177.00 178.98 3fi0 n LYS 178 N 5.68 -1.75 -1.74 4.56 5.02 -1.26 -4.91 118.16 123.76 3fi0 n LYS 178 Ca 0.13 0.44 -0.42 0.00 -2.02 0.00 0.00 58.31 56.45 3fi0 n LYS 178 Cb 0.44 -4.20 -0.02 0.00 -0.02 0.00 0.00 35.03 31.24 3fi0 n LYS 178 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3fi0 n VAL 179 N -4.26 1.07 -2.13 -0.18 3.14 -0.67 -4.96 118.33 110.34 3fi0 n VAL 179 Ca -0.14 -0.27 -0.21 0.00 -2.96 0.00 0.00 64.34 60.76 3fi0 n VAL 179 Cb 0.61 -1.95 0.13 0.00 -1.06 0.00 0.00 33.84 31.57 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 2.08 -0.38 3.61 7.55 0.00 -1.22 -5.08 105.19 111.75 3fi0 n GLY 180 Ca 0.08 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.54 0.54 -0.22 4.61 0.00 -1.26 -4.87 121.76 117.03 3fi0 s ALA 181 Ca 0.56 -0.58 -0.08 0.00 0.00 0.00 0.00 51.96 51.87 3fi0 s ALA 181 Cb -0.02 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 3fi0 s ALA 181 CO 0.38 -3.33 0.08 0.50 0.00 0.00 0.00 175.76 173.39 3fi0 s ARG 182 N -5.06 3.83 0.48 0.00 3.52 -1.26 -4.66 118.95 115.80 3fi0 s ARG 182 Ca 0.68 -0.40 0.08 0.00 -0.13 0.00 0.00 55.73 55.96 3fi0 s ARG 182 Cb -0.16 -3.31 0.04 0.00 -1.56 0.00 0.00 34.95 29.96 3fi0 s ARG 182 CO 0.58 0.02 0.66 0.42 -0.81 0.00 0.00 175.30 176.17 3fi0 s ILE 183 N 1.07 2.68 0.12 4.11 -1.09 -1.26 -5.03 121.20 121.80 3fi0 s ILE 183 Ca 0.05 -0.99 -0.16 0.00 -2.23 0.00 0.00 60.65 57.31 3fi0 s ILE 183 Cb -0.14 -2.69 -0.07 0.00 -1.58 0.00 0.00 42.46 37.98 3fi0 s ILE 183 CO 0.03 0.00 0.57 -0.55 -1.23 0.00 0.00 174.94 173.76 3fi0 s SER 185 N -4.47 6.92 0.31 3.58 0.15 0.22 -4.66 113.70 115.76 3fi0 s SER 185 Ca 0.58 1.16 0.25 0.00 0.70 0.00 0.00 55.95 58.64 3fi0 s SER 185 Cb -0.08 -2.32 0.69 0.00 -1.71 0.00 0.00 66.02 62.60 3fi0 s SER 185 CO 0.35 0.16 1.73 -0.07 1.20 0.00 0.00 173.24 176.61 3fi0 h LEU 186 N 3.90 0.00 0.04 3.45 3.38 -1.66 -3.19 115.31 121.24 3fi0 h LEU 186 Ca -0.49 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.15 3fi0 h LEU 186 Cb 1.20 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 3fi0 h LEU 186 CO 0.65 0.00 -1.90 1.33 0.09 0.00 0.00 178.44 178.61 3fi0 n VAL 187 N -2.59 1.64 -3.53 1.22 0.24 -1.26 -4.81 118.33 109.24 3fi0 n VAL 187 Ca 0.04 -0.75 -0.29 0.00 -2.04 0.00 0.00 64.34 61.31 3fi0 n VAL 187 Cb 0.44 -1.24 -0.12 0.00 -1.47 0.00 0.00 33.84 31.45 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 -6.37 3.02 0.00 -1.34 -1.08 -1.21 -4.99 116.67 104.71 3fi0 s ASP 188 Ca -0.12 -2.41 0.10 0.00 -0.52 0.00 0.00 52.55 49.60 3fi0 s ASP 188 Cb 0.07 -0.58 0.53 0.00 -1.46 0.00 0.00 42.92 41.48 3fi0 s ASP 188 CO 0.80 -0.28 1.12 -2.65 0.52 0.00 0.00 175.17 174.68 3fi0 n PRO 189 N 3.77 0.21 0.00 4.34 -0.02 -1.23 0.38 135.00 142.46 3fi0 n PRO 189 Ca 0.13 0.11 0.12 0.00 -2.02 0.00 0.00 63.50 61.84 3fi0 n PRO 189 Cb 0.37 -1.50 0.11 0.00 -0.02 0.00 0.00 33.50 32.46 3fi0 n PRO 189 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3fi0 n THR 190 N -1.16 0.00 -4.96 3.45 -2.24 -1.26 -4.79 114.28 103.31 3fi0 n THR 190 Ca 0.06 -0.20 -0.32 0.00 -2.27 0.00 0.00 64.05 61.31 3fi0 n THR 190 Cb 0.06 0.97 -0.14 0.00 -2.10 0.00 0.00 70.33 69.12 3fi0 n THR 190 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3fi0 s LYS 191 N -2.52 2.42 0.00 -0.78 2.20 0.16 -5.04 119.74 116.18 3fi0 s LYS 191 Ca 0.20 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 3fi0 s LYS 191 Cb 0.18 -2.31 0.00 0.00 -1.51 0.00 0.00 37.83 34.19 3fi0 s LYS 191 CO 0.57 0.61 0.00 1.17 -0.36 0.00 0.00 175.35 177.34 3fi0 n LYS 192 N 2.31 0.00 0.00 4.03 4.81 -1.26 0.73 118.16 128.78 3fi0 n LYS 192 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 3fi0 n LYS 192 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 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 0.11 3.14 2.88 -1.26 -4.15 113.62 114.34 3fi0 n SER 194 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 3fi0 n SER 194 Cb 0.00 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 63.81 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 -0.08 0.08 0.00 -1.46 2.85 -1.26 -0.58 118.16 117.71 3fi0 n LYS 195 Ca 0.00 0.55 0.13 0.00 -1.05 0.00 0.00 58.31 57.95 3fi0 n LYS 195 Cb 0.00 -1.88 0.39 0.00 -0.65 0.00 0.00 35.03 32.88 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 -1.95 1.42 -4.67 -5.58 7.64 -1.26 -4.93 113.62 104.29 3fi0 n SER 196 Ca -0.01 -1.25 -0.45 0.00 1.01 0.00 0.00 58.87 58.17 3fi0 n SER 196 Cb 0.13 0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.40 3fi0 n SER 196 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3fi0 n ASP 197 N -0.15 2.84 0.24 6.43 -0.08 0.25 -4.84 116.55 121.24 3fi0 n ASP 197 Ca 0.15 1.13 0.10 0.00 -1.51 0.00 0.00 54.79 54.66 3fi0 n ASP 197 Cb 0.38 -1.43 0.60 0.00 2.34 0.00 0.00 41.12 43.01 3fi0 n ASP 197 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3fi0 h PRO 198 N 4.57 0.00 -5.04 -0.67 0.11 -1.91 -3.38 132.00 125.68 3fi0 h PRO 198 Ca -0.45 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.01 3fi0 h PRO 198 Cb 1.27 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.22 3fi0 h PRO 198 CO 0.78 0.19 -0.25 1.21 -0.21 0.00 0.00 178.00 179.72 3fi0 s ASN 199 N -6.35 6.21 0.00 -2.05 3.04 -1.26 -4.94 114.94 109.59 3fi0 s ASN 199 Ca -0.02 -0.06 0.20 0.00 0.04 0.00 0.00 52.86 53.01 3fi0 s ASN 199 Cb 0.13 -2.21 1.09 0.00 -1.54 0.00 0.00 41.25 38.72 3fi0 s ASN 199 CO 0.63 -0.31 1.60 -0.81 -3.04 0.00 0.00 177.10 175.16 3fi0 n PRO 200 N 5.41 0.45 0.00 0.43 -0.05 -1.26 -2.21 135.00 137.77 3fi0 n PRO 200 Ca -0.08 0.05 0.14 0.00 -0.05 0.00 0.00 63.50 63.56 3fi0 n PRO 200 Cb 0.50 -1.50 0.51 0.00 -0.05 0.00 0.00 33.50 32.96 3fi0 n PRO 200 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 3fi0 n LYS 201 N -1.15 0.97 0.08 0.54 5.02 -1.26 -3.87 118.16 118.48 3fi0 n LYS 201 Ca 0.12 -0.48 0.12 0.00 -2.02 0.00 0.00 58.31 56.05 3fi0 n LYS 201 Cb 0.11 -1.49 0.26 0.00 -0.02 0.00 0.00 35.03 33.90 3fi0 n LYS 201 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fi0 n ALA 202 N -0.60 2.66 -2.28 7.82 0.00 -0.94 -4.31 120.51 122.86 3fi0 n ALA 202 Ca 0.15 -0.15 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3fi0 n ALA 202 Cb 0.31 -1.30 -0.09 0.00 0.00 0.00 0.00 19.45 18.38 3fi0 n ALA 202 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3fi0 s TYR 203 N -3.14 0.38 -0.14 0.00 -0.85 -1.25 -2.21 117.35 110.14 3fi0 s TYR 203 Ca 0.08 -0.88 0.00 0.00 -0.52 0.00 0.00 57.07 55.76 3fi0 s TYR 203 Cb 0.13 -0.27 -0.01 0.00 0.38 0.00 0.00 41.96 42.20 3fi0 s TYR 203 CO 0.67 -0.43 -0.15 0.42 -1.52 0.00 0.00 175.55 174.54 3fi0 s ILE 204 N -3.83 2.80 0.33 -3.49 1.01 -1.26 -4.99 121.20 111.77 3fi0 s ILE 204 Ca 0.06 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 3fi0 s ILE 204 Cb 0.06 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.32 3fi0 s ILE 204 CO -0.10 0.52 0.59 -0.89 0.00 0.00 0.00 174.94 175.06 3fi0 s THR 205 N 0.59 5.02 0.36 2.92 2.01 -1.26 -0.97 115.64 124.31 3fi0 s THR 205 Ca -0.09 -0.04 0.15 0.00 0.31 0.00 0.00 61.69 62.03 3fi0 s THR 205 Cb -0.16 -3.78 0.13 0.00 0.01 0.00 0.00 72.50 68.70 3fi0 s THR 205 CO 0.03 -0.46 1.86 -0.07 -0.69 0.00 0.00 174.62 175.29 3fi0 h LEU 206 N 1.23 0.00 -1.82 4.42 3.38 -2.00 -2.38 115.31 118.15 3fi0 h LEU 206 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3fi0 h LEU 206 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3fi0 h LEU 206 CO 0.64 0.33 0.00 0.18 0.09 0.00 0.00 178.44 179.68 3fi0 n LEU 207 N -3.99 2.68 -4.72 1.67 4.77 -1.26 -4.69 117.00 111.47 3fi0 n LEU 207 Ca -0.02 -1.25 -0.42 0.00 -0.03 0.00 0.00 56.01 54.29 3fi0 n LEU 207 Cb 0.39 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 3fi0 n LEU 207 CO 0.37 0.62 1.08 -1.81 -1.33 0.00 0.00 177.39 176.33 3fi0 s ASP 208 N -1.25 6.79 0.82 -1.43 1.01 -0.90 -4.99 116.67 116.72 3fi0 s ASP 208 Ca 0.35 2.40 -0.11 0.00 0.71 0.00 0.00 52.55 55.90 3fi0 s ASP 208 Cb 0.19 -2.59 0.08 0.00 1.01 0.00 0.00 42.92 41.61 3fi0 s ASP 208 CO 0.26 -0.66 1.09 1.51 0.21 0.00 0.00 175.17 177.58 3fi0 s ASP 209 N 0.96 4.18 0.40 0.27 1.47 -1.26 -4.70 116.67 117.98 3fi0 s ASP 209 Ca 0.64 1.56 0.12 0.00 1.18 0.00 0.00 52.55 56.04 3fi0 s ASP 209 Cb -0.38 -2.28 0.93 0.00 -0.34 0.00 0.00 42.92 40.85 3fi0 s ASP 209 CO 0.32 -2.20 1.92 0.00 0.68 0.00 0.00 175.17 175.90 3fi0 h ALA 210 N -1.24 1.95 -0.20 2.11 0.00 -1.95 0.21 119.26 120.14 3fi0 h ALA 210 Ca -0.47 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 3fi0 h ALA 210 Cb 1.26 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3fi0 h ALA 210 CO 0.55 -0.14 -0.29 -0.22 0.00 0.00 0.00 179.25 179.15 3fi0 h LYS 211 N 0.55 0.54 -0.20 0.00 3.64 -1.99 -2.77 116.57 116.34 3fi0 h LYS 211 Ca 0.37 -0.32 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 3fi0 h LYS 211 Cb 0.66 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 3fi0 h LYS 211 CO -0.13 0.92 -0.09 1.15 -2.27 0.00 0.00 179.45 179.03 3fi0 h THR 212 N 0.21 1.31 -0.36 1.00 2.02 -1.70 0.01 112.91 115.40 3fi0 h THR 212 Ca 0.02 -1.15 0.07 0.00 0.77 0.00 0.00 66.41 66.12 3fi0 h THR 212 Cb 0.87 1.64 -0.07 0.00 -1.74 0.00 0.00 68.15 68.85 3fi0 h THR 212 CO 0.07 0.35 -0.12 0.40 0.37 0.00 0.00 175.52 176.58 3fi0 h ILE 213 N 0.11 0.58 -0.51 3.11 2.04 -0.69 0.17 117.51 122.31 3fi0 h ILE 213 Ca 0.04 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.78 3fi0 h ILE 213 Cb 0.58 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3fi0 h ILE 213 CO 0.03 0.00 -0.17 -0.08 0.00 0.00 0.00 178.15 177.93 3fi0 h GLU 214 N -0.04 1.02 -0.07 2.37 4.81 -1.46 -0.00 114.58 121.21 3fi0 h GLU 214 Ca 0.18 -0.41 -0.07 0.00 -0.13 0.00 0.00 59.36 58.92 3fi0 h GLU 214 Cb 0.31 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3fi0 h GLU 214 CO -0.39 1.10 -0.28 0.87 -0.73 0.00 0.00 179.01 179.58 3fi0 h LYS 215 N 0.89 0.12 0.06 1.92 1.57 -0.50 -1.82 116.57 118.81 3fi0 h LYS 215 Ca 0.12 -0.04 -0.26 0.00 -1.87 0.00 0.00 60.65 58.60 3fi0 h LYS 215 Cb 0.75 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.06 3fi0 h LYS 215 CO 0.06 0.39 -1.11 0.87 -0.57 0.00 0.00 179.45 179.10 3fi0 h LYS 216 N 0.11 0.49 -0.37 3.15 1.57 -0.39 -3.17 116.57 117.96 3fi0 h LYS 216 Ca 0.02 -0.61 -0.16 0.00 -1.87 0.00 0.00 60.65 58.03 3fi0 h LYS 216 Cb 0.56 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 3fi0 h LYS 216 CO 0.04 1.24 -0.38 0.82 -0.57 0.00 0.00 179.45 180.60 3fi0 h ILE 217 N 0.24 1.27 0.00 1.86 1.08 -0.80 -2.77 117.51 118.39 3fi0 h ILE 217 Ca -0.13 -1.55 0.00 0.00 -0.39 0.00 0.00 64.86 62.79 3fi0 h ILE 217 Cb 1.77 1.41 0.00 0.00 -3.07 0.00 0.00 36.82 36.94 3fi0 h ILE 217 CO 0.20 0.52 0.00 0.11 -0.69 0.00 0.00 178.15 178.29 3fi0 h LYS 218 N 0.72 0.00 -4.24 2.37 1.57 -1.42 -3.49 116.57 112.08 3fi0 h LYS 218 Ca 0.06 0.00 -0.75 0.00 -1.87 0.00 0.00 60.65 58.09 3fi0 h LYS 218 Cb 0.97 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.05 3fi0 h LYS 218 CO 0.09 0.00 -0.01 -1.12 -0.57 0.00 0.00 179.45 177.84 3fi0 s SER 219 N -4.55 6.33 0.00 0.86 0.01 -1.05 -5.10 113.70 110.20 3fi0 s SER 219 Ca 0.01 -1.89 0.00 0.00 1.31 0.00 0.00 55.95 55.37 3fi0 s SER 219 Cb 0.09 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 64.07 3fi0 s SER 219 CO 0.36 -0.88 0.76 -1.20 0.41 0.00 0.00 173.24 172.69 3fi0 n SER 224 N 5.34 1.33 0.09 2.44 7.64 -1.26 -4.91 113.62 124.29 3fi0 n SER 224 Ca -0.05 -1.57 -0.02 0.00 1.01 0.00 0.00 58.87 58.24 3fi0 n SER 224 Cb 0.43 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.57 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 0.00 -2.82 1.43 4.81 -2.07 -3.48 114.58 112.46 3fi0 h GLU 225 Ca 0.00 0.00 -0.40 0.00 -0.13 0.00 0.00 59.36 58.83 3fi0 h GLU 225 Cb 0.50 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 3fi0 h GLU 225 CO 0.00 0.64 -0.49 0.41 -0.73 0.00 0.00 179.01 178.84 3fi0 n GLY 226 N 1.32 -0.15 3.09 1.92 0.00 -1.26 -4.99 105.19 105.11 3fi0 n GLY 226 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.94 1.42 -1.22 2.61 -4.23 -1.26 -4.62 115.64 105.39 3fi0 s THR 227 Ca 0.00 -0.65 -0.15 0.00 -1.18 0.00 0.00 61.69 59.71 3fi0 s THR 227 Cb 0.00 -1.26 0.14 0.00 1.34 0.00 0.00 72.50 72.72 3fi0 s THR 227 CO 0.00 0.42 1.51 -0.63 -0.54 0.00 0.00 174.62 175.38 3fi0 s ILE 228 N 0.51 4.77 0.01 2.99 1.01 -1.26 -4.94 121.20 124.29 3fi0 s ILE 228 Ca -0.15 -2.41 0.03 0.00 0.00 0.00 0.00 60.65 58.13 3fi0 s ILE 228 Cb -0.16 -4.99 -0.01 0.00 0.01 0.00 0.00 42.46 37.31 3fi0 s ILE 228 CO 0.05 -1.73 -0.11 -0.60 0.00 0.00 0.00 174.94 172.55 3fi0 s ARG 229 N 2.34 0.80 -0.34 2.79 3.52 -1.26 -4.67 118.95 122.13 3fi0 s ARG 229 Ca 0.46 -0.49 -0.28 0.00 -0.13 0.00 0.00 55.73 55.29 3fi0 s ARG 229 Cb -0.01 -0.77 0.02 0.00 -1.56 0.00 0.00 34.95 32.63 3fi0 s ARG 229 CO 0.02 0.20 1.01 -0.47 -0.81 0.00 0.00 175.30 175.25 3fi0 s TYR 230 N -0.50 3.11 0.00 5.12 6.14 -1.26 -4.58 117.35 125.39 3fi0 s TYR 230 Ca 0.02 1.00 0.00 0.00 0.64 0.00 0.00 57.07 58.73 3fi0 s TYR 230 Cb -0.05 -3.68 0.00 0.00 0.42 0.00 0.00 41.96 38.64 3fi0 s TYR 230 CO 0.00 -0.80 0.00 0.41 0.64 0.00 0.00 175.55 175.80 3fi0 n GLY 237 N 4.12 0.00 0.15 8.97 0.00 -1.26 -5.05 105.19 112.11 3fi0 n GLY 237 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 1.23 -0.91 -0.61 1.08 -1.97 -2.61 117.51 113.72 3fi0 h ILE 238 Ca 0.00 -0.79 0.21 0.00 -0.39 0.00 0.00 64.86 63.89 3fi0 h ILE 238 Cb 0.00 1.26 -0.07 0.00 -3.07 0.00 0.00 36.82 34.95 3fi0 h ILE 238 CO 0.00 0.25 0.60 0.28 -0.69 0.00 0.00 178.15 178.60 3fi0 h SER 239 N 0.23 0.37 -0.03 1.72 0.02 -1.97 0.14 113.55 114.03 3fi0 h SER 239 Ca 0.08 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 3fi0 h SER 239 Cb 0.34 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.86 3fi0 h SER 239 CO 0.01 0.14 -0.16 -1.13 -1.14 0.00 0.00 176.83 174.55 3fi0 h ASN 240 N 0.37 0.19 -0.47 3.07 -1.24 -1.90 -2.06 115.58 113.54 3fi0 h ASN 240 Ca 0.47 -0.67 0.05 0.00 0.71 0.00 0.00 56.30 56.86 3fi0 h ASN 240 Cb 1.24 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 40.21 3fi0 h ASN 240 CO -0.17 0.83 0.31 -0.07 -1.29 0.00 0.00 177.43 177.04 3fi0 h LEU 241 N -0.44 0.37 -0.83 0.34 4.07 -0.96 0.22 115.31 118.09 3fi0 h LEU 241 Ca -0.01 -0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.84 3fi0 h LEU 241 Cb 0.83 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.47 3fi0 h LEU 241 CO 0.03 0.25 -0.25 -0.07 -1.08 0.00 0.00 178.44 177.32 3fi0 h LEU 242 N 0.43 0.60 -0.39 1.67 3.38 -0.69 -1.67 115.31 118.64 3fi0 h LEU 242 Ca 0.20 -0.21 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 3fi0 h LEU 242 Cb 0.24 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3fi0 h LEU 242 CO -0.05 0.84 -0.66 0.78 0.09 0.00 0.00 178.44 179.44 3fi0 h ASN 243 N 0.52 0.66 -0.35 -0.43 2.35 -0.27 -1.82 115.58 116.25 3fi0 h ASN 243 Ca 0.07 -0.40 -0.09 0.00 -0.55 0.00 0.00 56.30 55.33 3fi0 h ASN 243 Cb 0.71 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 3fi0 h ASN 243 CO 0.05 1.14 -0.13 0.40 -1.65 0.00 0.00 177.43 177.24 3fi0 h ILE 244 N 0.42 1.28 0.67 2.81 2.04 -1.01 -2.59 117.51 121.13 3fi0 h ILE 244 Ca -0.02 -1.23 -0.03 0.00 1.00 0.00 0.00 64.86 64.58 3fi0 h ILE 244 Cb 1.23 1.34 0.01 0.00 -0.74 0.00 0.00 36.82 38.66 3fi0 h ILE 244 CO 0.12 0.40 -0.32 0.22 0.00 0.00 0.00 178.15 178.58 3fi0 h TYR 245 N 0.50 -0.83 -0.91 1.37 5.03 -1.35 -2.51 116.97 118.27 3fi0 h TYR 245 Ca 0.08 -0.02 0.22 0.00 2.58 0.00 0.00 58.73 61.60 3fi0 h TYR 245 Cb 0.66 0.28 -0.12 0.00 1.55 0.00 0.00 36.73 39.09 3fi0 h TYR 245 CO 0.06 -0.49 0.43 1.03 -1.32 0.00 0.00 178.16 177.86 3fi0 h SER 246 N -1.15 0.39 1.07 -2.11 0.87 -1.39 0.16 113.55 111.38 3fi0 h SER 246 Ca -0.09 0.15 -0.18 0.00 -1.23 0.00 0.00 61.79 60.44 3fi0 h SER 246 Cb 0.72 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.77 3fi0 h SER 246 CO 0.15 0.02 -0.97 0.71 -0.53 0.00 0.00 176.83 176.21 3fi0 h THR 247 N 0.43 1.23 0.00 2.23 1.35 -1.49 -2.15 112.91 114.51 3fi0 h THR 247 Ca 0.57 -2.82 -0.13 0.00 -0.55 0.00 0.00 66.41 63.48 3fi0 h THR 247 Cb 1.07 2.58 -0.02 0.00 -1.73 0.00 0.00 68.15 70.06 3fi0 h THR 247 CO -0.51 0.70 -1.04 -0.07 -0.25 0.00 0.00 175.52 174.34 3fi0 h LEU 248 N 0.00 0.00 0.00 3.87 3.38 -0.94 -3.35 115.31 118.26 3fi0 h LEU 248 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3fi0 h LEU 248 Cb 1.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.41 3fi0 h LEU 248 CO 0.10 0.48 -1.54 -1.54 0.09 0.00 0.00 178.44 176.03 3fi0 n SER 249 N -2.98 0.37 0.00 -0.43 3.41 0.50 -4.98 113.62 109.51 3fi0 n SER 249 Ca -0.05 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3fi0 n SER 249 Cb 0.77 1.35 0.00 0.00 -0.26 0.00 0.00 64.21 66.07 3fi0 n SER 249 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fi0 n GLY 250 N 1.26 1.49 3.93 5.00 0.00 -0.82 -5.03 105.19 111.03 3fi0 n GLY 250 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.24 1.61 0.06 1.61 -0.21 -1.15 -5.01 119.66 116.33 3fi0 s GLN 251 Ca 0.00 -0.36 -0.04 0.00 0.02 0.00 0.00 55.36 54.99 3fi0 s GLN 251 Cb 0.00 -2.05 -0.05 0.00 1.00 0.00 0.00 33.01 31.91 3fi0 s GLN 251 CO 0.00 -1.69 0.28 -1.54 -2.12 0.00 0.00 175.29 170.22 3fi0 s SER 252 N -4.67 6.44 0.23 5.90 1.04 -1.26 -4.56 113.70 116.82 3fi0 s SER 252 Ca 0.66 0.46 -0.07 0.00 0.48 0.00 0.00 55.95 57.48 3fi0 s SER 252 Cb -0.08 -2.04 0.27 0.00 0.10 0.00 0.00 66.02 64.26 3fi0 s SER 252 CO 0.48 0.17 1.87 0.40 0.98 0.00 0.00 173.24 177.14 3fi0 h ILE 253 N 2.45 1.11 0.00 -1.02 2.04 -1.91 0.48 117.51 120.66 3fi0 h ILE 253 Ca -0.47 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3fi0 h ILE 253 Cb 1.18 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3fi0 h ILE 253 CO 0.71 0.19 0.00 -0.62 0.00 0.00 0.00 178.15 178.43 3fi0 n GLU 254 N -4.58 0.16 -0.09 2.37 4.71 -1.26 -1.23 120.64 120.73 3fi0 n GLU 254 Ca 0.11 0.51 -0.13 0.00 -0.01 0.00 0.00 57.16 57.64 3fi0 n GLU 254 Cb 0.11 -1.90 -0.08 0.00 -1.01 0.00 0.00 31.44 28.56 3fi0 n GLU 254 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 3fi0 n GLU 255 N -2.22 0.45 -0.08 3.49 2.13 0.22 -3.36 120.64 121.26 3fi0 n GLU 255 Ca 0.01 0.11 0.22 0.00 0.66 0.00 0.00 57.16 58.15 3fi0 n GLU 255 Cb 0.14 -1.36 0.66 0.00 0.27 0.00 0.00 31.44 31.15 3fi0 n GLU 255 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3fi0 h LEU 256 N -0.01 0.08 -0.30 4.31 3.38 -0.17 -0.91 115.31 121.69 3fi0 h LEU 256 Ca -0.41 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 3fi0 h LEU 256 Cb 1.63 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 3fi0 h LEU 256 CO -0.07 0.04 0.15 -0.33 0.09 0.00 0.00 178.44 178.32 3fi0 h GLU 257 N 0.08 0.42 0.51 1.13 5.08 -1.28 -3.16 114.58 117.36 3fi0 h GLU 257 Ca 0.33 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 3fi0 h GLU 257 Cb 1.18 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3fi0 h GLU 257 CO -0.03 0.38 -0.24 0.00 -1.00 0.00 0.00 179.01 178.12 3fi0 h ARG 258 N 0.35 -0.66 -0.55 2.33 3.08 -1.22 -3.22 114.38 114.48 3fi0 h ARG 258 Ca 0.10 0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.27 3fi0 h ARG 258 Cb 0.09 0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.22 3fi0 h ARG 258 CO -0.01 -0.44 -0.27 0.94 -1.07 0.00 0.00 179.97 179.12 3fi0 n GLN 259 N -3.86 -0.18 -2.52 0.04 7.27 -0.50 -3.00 117.38 114.63 3fi0 n GLN 259 Ca -0.08 0.84 -0.43 0.00 0.07 0.00 0.00 57.00 57.40 3fi0 n GLN 259 Cb 0.27 -1.25 0.01 0.00 2.41 0.00 0.00 30.24 31.68 3fi0 n GLN 259 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3fi0 n TYR 260 N -4.76 2.69 -3.62 3.69 4.02 -1.19 -4.89 117.16 113.10 3fi0 n TYR 260 Ca 0.03 -2.71 -0.39 0.00 -0.01 0.00 0.00 57.90 54.82 3fi0 n TYR 260 Cb 0.18 -1.72 -0.08 0.00 -0.02 0.00 0.00 39.34 37.71 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 -0.72 2.86 -0.42 -0.72 2.56 -1.16 -3.24 118.70 117.86 3fi0 s GLU 261 Ca 0.37 -2.55 0.00 0.00 0.00 0.00 0.00 54.97 52.80 3fi0 s GLU 261 Cb 0.09 -3.92 0.00 0.00 2.00 0.00 0.00 34.13 32.30 3fi0 s GLU 261 CO 0.03 -1.21 0.00 0.41 -0.56 0.00 0.00 175.26 173.93 3fi0 n GLY 262 N 3.56 0.66 3.79 -1.50 0.00 -1.26 -5.06 105.19 105.38 3fi0 n GLY 262 Ca 0.10 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.75 3.99 0.28 1.61 -0.14 -1.20 -5.09 119.74 117.44 3fi0 s LYS 263 Ca 0.00 1.48 0.01 0.00 -1.36 0.00 0.00 55.97 56.10 3fi0 s LYS 263 Cb 0.00 -2.36 0.05 0.00 -1.68 0.00 0.00 37.83 33.84 3fi0 s LYS 263 CO 0.00 -0.28 0.39 0.41 -0.76 0.00 0.00 175.35 175.10 3fi0 n GLY 264 N 0.13 1.04 0.24 -3.33 0.00 -1.26 -4.52 105.19 97.49 3fi0 n GLY 264 Ca 0.07 -2.03 -0.14 0.00 0.00 0.00 0.00 46.02 43.91 3fi0 n GLY 264 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3fi0 h TYR 265 N -0.34 1.07 -0.63 1.61 0.05 -1.99 -3.28 116.97 113.46 3fi0 h TYR 265 Ca -0.13 -0.39 0.12 0.00 0.05 0.00 0.00 58.73 58.38 3fi0 h TYR 265 Cb 0.50 -0.20 -0.12 0.00 1.01 0.00 0.00 36.73 37.92 3fi0 h TYR 265 CO 0.00 1.21 -0.29 0.78 -1.05 0.00 0.00 178.16 178.81 3fi0 h GLY 266 N 0.72 0.09 1.24 3.88 0.00 -1.99 0.22 103.07 107.23 3fi0 h GLY 266 Ca 0.01 0.37 -0.16 0.00 0.00 0.00 0.00 47.33 47.55 3fi0 h GLY 266 CO 0.12 -0.23 -0.46 -0.39 0.00 0.00 0.00 176.54 175.59 3fi0 h VAL 267 N -0.11 1.28 -0.33 4.60 -1.51 -1.99 -1.89 116.25 116.30 3fi0 h VAL 267 Ca 0.27 -1.64 0.02 0.00 -1.23 0.00 0.00 66.70 64.11 3fi0 h VAL 267 Cb 0.54 1.53 -0.03 0.00 -2.13 0.00 0.00 31.29 31.20 3fi0 h VAL 267 CO -0.70 0.54 0.17 0.15 -1.23 0.00 0.00 177.57 176.50 3fi0 h PHE 268 N 0.65 0.32 -0.20 5.19 3.57 -1.39 0.18 116.94 125.27 3fi0 h PHE 268 Ca 0.04 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 3fi0 h PHE 268 Cb 1.04 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 3fi0 h PHE 268 CO 0.06 0.18 -0.22 0.87 -2.23 0.00 0.00 178.31 176.97 3fi0 h LYS 269 N 0.36 0.35 -0.16 1.11 1.57 -0.54 0.22 116.57 119.47 3fi0 h LYS 269 Ca 0.13 -0.11 -0.22 0.00 -1.87 0.00 0.00 60.65 58.58 3fi0 h LYS 269 Cb 0.03 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.32 3fi0 h LYS 269 CO -0.08 0.56 -0.76 0.00 -0.57 0.00 0.00 179.45 178.60 3fi0 h ALA 270 N 1.46 0.34 -0.06 3.86 0.00 -0.74 -0.45 119.26 123.66 3fi0 h ALA 270 Ca 0.05 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 3fi0 h ALA 270 Cb 0.57 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3fi0 h ALA 270 CO 0.04 0.69 -0.01 -0.44 0.00 0.00 0.00 179.25 179.53 3fi0 h ASP 271 N 0.54 0.12 -0.28 0.00 3.32 -0.39 -2.83 116.42 116.91 3fi0 h ASP 271 Ca -0.05 -0.34 0.06 0.00 0.02 0.00 0.00 57.03 56.73 3fi0 h ASP 271 Cb 1.39 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.84 3fi0 h ASP 271 CO 0.16 0.43 -0.12 0.25 -1.72 0.00 0.00 179.24 178.24 3fi0 h LEU 272 N -0.19 -0.40 -1.52 1.55 5.85 -0.58 -1.66 115.31 118.36 3fi0 h LEU 272 Ca 0.02 0.10 0.15 0.00 0.84 0.00 0.00 57.88 58.99 3fi0 h LEU 272 Cb 0.37 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 3fi0 h LEU 272 CO 0.00 -0.15 0.52 0.00 -0.34 0.00 0.00 178.44 178.48 3fi0 h ALA 273 N 1.17 2.07 0.00 1.25 0.00 -1.02 -1.72 119.26 121.01 3fi0 h ALA 273 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.86 3fi0 h ALA 273 Cb 0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3fi0 h ALA 273 CO -0.32 -0.28 -0.87 1.96 0.00 0.00 0.00 179.25 179.73 3fi0 h GLN 274 N 0.47 0.19 -0.05 0.00 1.08 -1.06 -2.05 115.11 113.68 3fi0 h GLN 274 Ca 0.39 -0.20 -0.16 0.00 -1.45 0.00 0.00 58.65 57.23 3fi0 h GLN 274 Cb 0.84 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.32 3fi0 h GLN 274 CO -0.14 0.94 -0.68 -0.39 -0.95 0.00 0.00 178.83 177.62 3fi0 h VAL 275 N 0.10 1.42 -0.07 -0.54 -1.51 -0.87 0.54 116.25 115.31 3fi0 h VAL 275 Ca -0.04 -2.15 -0.05 0.00 -1.23 0.00 0.00 66.70 63.23 3fi0 h VAL 275 Cb 1.50 2.12 0.00 0.00 -2.13 0.00 0.00 31.29 32.78 3fi0 h VAL 275 CO 0.13 0.63 -0.16 0.58 -1.23 0.00 0.00 177.57 177.53 3fi0 h VAL 276 N 0.16 1.41 -0.74 7.19 2.07 -1.42 -1.44 116.25 123.48 3fi0 h VAL 276 Ca -0.02 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 3fi0 h VAL 276 Cb 1.21 2.20 -0.04 0.00 -1.52 0.00 0.00 31.29 33.15 3fi0 h VAL 276 CO 0.10 0.41 0.45 0.40 0.02 0.00 0.00 177.57 178.95 3fi0 h ILE 277 N -0.25 1.21 0.00 4.57 2.04 -1.35 -0.40 117.51 123.33 3fi0 h ILE 277 Ca 0.00 -0.46 -0.10 0.00 1.00 0.00 0.00 64.86 65.30 3fi0 h ILE 277 Cb 0.75 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3fi0 h ILE 277 CO 0.03 0.22 -0.48 -0.33 0.00 0.00 0.00 178.15 177.59 3fi0 h GLU 278 N 1.02 0.00 0.10 2.37 4.39 -0.85 -2.07 114.58 119.54 3fi0 h GLU 278 Ca 0.27 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.74 3fi0 h GLU 278 Cb -0.04 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.63 3fi0 h GLU 278 CO -0.05 0.48 -0.95 1.15 -1.16 0.00 0.00 179.01 178.48 3fi0 h THR 279 N 0.00 1.39 0.00 1.13 2.02 -0.27 -3.36 112.91 113.82 3fi0 h THR 279 Ca -0.00 -2.38 -0.07 0.00 0.77 0.00 0.00 66.41 64.73 3fi0 h THR 279 Cb 0.94 2.82 -0.01 0.00 -1.74 0.00 0.00 68.15 70.16 3fi0 h THR 279 CO 0.06 0.70 -0.51 -0.07 0.37 0.00 0.00 175.52 176.08 3fi0 h LEU 280 N -0.01 0.00 -0.25 2.58 3.38 -1.13 -3.38 115.31 116.50 3fi0 h LEU 280 Ca -0.15 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.87 3fi0 h LEU 280 Cb 1.68 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.39 3fi0 h LEU 280 CO 0.18 0.31 0.00 -0.09 0.09 0.00 0.00 178.44 178.93 3fi0 h ARG 281 N 0.00 0.08 -0.09 1.13 2.43 -1.52 0.32 114.38 116.73 3fi0 h ARG 281 Ca -0.02 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.98 3fi0 h ARG 281 Cb 1.25 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 3fi0 h ARG 281 CO 0.04 0.05 -0.64 -1.00 -1.51 0.00 0.00 179.97 176.91 3fi0 h PRO 282 N 0.08 0.34 -0.28 0.20 0.13 -1.78 -0.36 132.00 130.33 3fi0 h PRO 282 Ca 0.12 -0.25 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 3fi0 h PRO 282 Cb 0.15 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.31 3fi0 h PRO 282 CO -0.20 0.87 0.13 0.82 -0.23 0.00 0.00 178.00 179.39 3fi0 h ILE 283 N 0.25 1.16 -0.25 -3.56 2.04 -1.65 -1.88 117.51 113.61 3fi0 h ILE 283 Ca -0.01 -0.47 -0.07 0.00 1.00 0.00 0.00 64.86 65.31 3fi0 h ILE 283 Cb 1.18 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 3fi0 h ILE 283 CO 0.11 0.16 -0.15 1.56 0.00 0.00 0.00 178.15 179.84 3fi0 h GLN 284 N 0.32 0.42 -0.11 2.37 4.20 -0.29 -0.61 115.11 121.42 3fi0 h GLN 284 Ca 0.10 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3fi0 h GLN 284 Cb 0.14 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3fi0 h GLN 284 CO -0.01 0.57 0.07 0.93 -0.67 0.00 0.00 178.83 179.72 3fi0 h GLU 285 N 0.39 0.14 -0.04 1.46 5.08 -0.53 -2.80 114.58 118.29 3fi0 h GLU 285 Ca 0.07 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.24 3fi0 h GLU 285 Cb 0.49 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3fi0 h GLU 285 CO 0.03 0.10 -0.77 0.00 -1.00 0.00 0.00 179.01 177.37 3fi0 h ARG 286 N 0.15 0.28 -0.98 2.33 3.08 -1.19 -3.01 114.38 115.03 3fi0 h ARG 286 Ca 0.04 -0.25 0.18 0.00 0.07 0.00 0.00 59.98 60.02 3fi0 h ARG 286 Cb -0.02 0.06 -0.10 0.00 0.08 0.00 0.00 29.97 29.99 3fi0 h ARG 286 CO -0.01 0.92 0.58 -0.92 -1.07 0.00 0.00 179.97 179.47 3fi0 h TYR 287 N 0.18 1.03 0.00 3.04 3.20 -0.92 0.12 116.97 123.62 3fi0 h TYR 287 Ca -0.03 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.69 3fi0 h TYR 287 Cb 1.35 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 39.29 3fi0 h TYR 287 CO 0.03 0.24 -0.84 0.45 -1.64 0.00 0.00 178.16 176.40 3fi0 h HIS 288 N 0.76 0.17 -0.51 -3.82 3.86 -1.43 -3.12 115.15 111.06 3fi0 h HIS 288 Ca 0.55 -0.09 -0.10 0.00 -1.16 0.00 0.00 60.37 59.57 3fi0 h HIS 288 Cb 0.83 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.26 3fi0 h HIS 288 CO -0.02 0.90 -0.08 1.25 0.86 0.00 0.00 177.93 180.84 3fi0 h HIS 289 N 0.06 1.03 0.00 2.45 -0.00 -0.74 -2.33 115.15 115.62 3fi0 h HIS 289 Ca -0.03 -0.19 0.00 0.00 -0.00 0.00 0.00 60.37 60.15 3fi0 h HIS 289 Cb 1.47 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 28.62 3fi0 h HIS 289 CO 0.02 0.96 0.00 0.91 -0.00 0.00 0.00 177.93 179.82 3fi0 n TRP 290 N -4.16 0.00 0.00 5.26 7.02 -0.04 -0.71 117.44 124.82 3fi0 n TRP 290 Ca 0.02 -0.15 0.00 0.00 -1.02 0.00 0.00 57.50 56.35 3fi0 n TRP 290 Cb 0.37 -0.13 0.00 0.00 -2.42 0.00 0.00 31.31 29.14 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 0.68 0.00 -3.19 -0.99 1.02 -0.88 -4.65 120.64 112.63 3fi0 n GLU 292 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 3fi0 n GLU 292 Cb 0.17 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.53 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 6.76 0.02 1.62 0.15 0.12 -4.97 113.70 117.39 3fi0 s SER 293 Ca 0.00 1.22 0.28 0.00 0.70 0.00 0.00 55.95 58.15 3fi0 s SER 293 Cb 0.00 -2.35 1.03 0.00 -1.71 0.00 0.00 66.02 62.99 3fi0 s SER 293 CO 0.00 -0.17 1.79 1.21 1.20 0.00 0.00 173.24 177.28 3fi0 n GLU 294 N -0.25 0.02 0.14 5.44 2.13 -1.26 -3.52 120.64 123.34 3fi0 n GLU 294 Ca 0.03 0.02 0.13 0.00 0.66 0.00 0.00 57.16 57.99 3fi0 n GLU 294 Cb 0.53 -1.52 0.42 0.00 0.27 0.00 0.00 31.44 31.13 3fi0 n GLU 294 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3fi0 h GLU 295 N 0.00 0.00 -0.32 5.31 4.39 -1.93 -3.23 114.58 118.80 3fi0 h GLU 295 Ca 0.00 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 3fi0 h GLU 295 Cb 0.52 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 3fi0 h GLU 295 CO 0.00 0.00 -0.40 1.25 -1.16 0.00 0.00 179.01 178.70 3fi0 h LEU 296 N 0.00 0.82 -0.82 1.33 5.85 -1.82 -1.87 115.31 118.79 3fi0 h LEU 296 Ca 0.00 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.30 3fi0 h LEU 296 Cb 0.67 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3fi0 h LEU 296 CO 0.00 1.11 -0.25 0.44 -0.34 0.00 0.00 178.44 179.40 3fi0 h ASP 297 N 0.63 0.00 0.68 1.25 3.45 -1.81 -2.81 116.42 117.81 3fi0 h ASP 297 Ca 0.05 0.00 -0.26 0.00 0.43 0.00 0.00 57.03 57.25 3fi0 h ASP 297 Cb 0.95 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.70 3fi0 h ASP 297 CO 0.09 0.25 -1.35 0.03 -1.57 0.00 0.00 179.24 176.69 3fi0 h ARG 298 N 0.00 0.10 -0.53 3.56 3.08 -1.62 -1.14 114.38 117.83 3fi0 h ARG 298 Ca -0.00 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.83 3fi0 h ARG 298 Cb 0.88 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 3fi0 h ARG 298 CO 0.03 0.95 0.15 0.28 -1.07 0.00 0.00 179.97 180.31 3fi0 h VAL 299 N 0.03 1.24 -0.08 2.04 2.07 -1.27 -0.63 116.25 119.64 3fi0 h VAL 299 Ca -0.16 -0.81 -0.22 0.00 0.82 0.00 0.00 66.70 66.34 3fi0 h VAL 299 Cb 1.92 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 3fi0 h VAL 299 CO 0.14 0.30 -0.83 -0.07 0.02 0.00 0.00 177.57 177.13 3fi0 h LEU 300 N 0.73 0.70 -0.99 2.57 3.38 -1.56 0.69 115.31 120.82 3fi0 h LEU 300 Ca 0.17 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 3fi0 h LEU 300 Cb 0.29 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3fi0 h LEU 300 CO -0.00 1.27 0.59 0.44 0.09 0.00 0.00 178.44 180.82 3fi0 h ASP 301 N 0.37 1.13 0.71 -0.43 5.19 -1.10 -1.49 116.42 120.80 3fi0 h ASP 301 Ca -0.06 -0.06 -0.18 0.00 -0.62 0.00 0.00 57.03 56.12 3fi0 h ASP 301 Cb 1.44 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 40.65 3fi0 h ASP 301 CO 0.15 0.85 -0.82 -0.08 -3.12 0.00 0.00 179.24 176.23 3fi0 h GLU 302 N 1.30 0.07 -0.10 3.56 4.57 -0.97 -2.46 114.58 120.56 3fi0 h GLU 302 Ca 0.34 -0.07 -0.20 0.00 -1.18 0.00 0.00 59.36 58.25 3fi0 h GLU 302 Cb -0.08 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 3fi0 h GLU 302 CO -0.07 0.84 -0.75 0.78 -1.18 0.00 0.00 179.01 178.64 3fi0 h GLY 303 N 2.18 0.58 1.20 1.92 0.00 -0.42 -2.68 103.07 105.85 3fi0 h GLY 303 Ca -0.02 -0.83 -0.19 0.00 0.00 0.00 0.00 47.33 46.30 3fi0 h GLY 303 CO 0.11 0.73 -0.59 0.00 0.00 0.00 0.00 176.54 176.80 3fi0 h ALA 304 N 0.82 0.47 -0.70 3.60 0.00 -1.31 -1.57 119.26 120.55 3fi0 h ALA 304 Ca -0.04 -0.53 0.04 0.00 0.00 0.00 0.00 54.91 54.38 3fi0 h ALA 304 Cb 1.34 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 3fi0 h ALA 304 CO 0.14 0.68 0.43 0.93 0.00 0.00 0.00 179.25 181.43 3fi0 h GLU 305 N 0.63 0.79 -0.23 0.00 5.08 -1.44 0.42 114.58 119.83 3fi0 h GLU 305 Ca 0.00 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 3fi0 h GLU 305 Cb 1.19 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 3fi0 h GLU 305 CO 0.13 0.52 -0.35 0.87 -1.00 0.00 0.00 179.01 179.17 3fi0 h LYS 306 N 0.81 0.64 -0.55 2.33 1.57 -1.43 -2.58 116.57 117.36 3fi0 h LYS 306 Ca 0.29 -0.39 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 3fi0 h LYS 306 Cb 0.09 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3fi0 h LYS 306 CO -0.14 1.00 -0.11 0.00 -0.57 0.00 0.00 179.45 179.64 3fi0 h ALA 307 N 0.63 0.77 -0.80 3.86 0.00 -0.95 -2.88 119.26 119.89 3fi0 h ALA 307 Ca 0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3fi0 h ALA 307 Cb 0.94 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3fi0 h ALA 307 CO 0.08 0.68 0.45 -0.91 0.00 0.00 0.00 179.25 179.55 3fi0 h ASN 308 N 0.92 0.98 0.45 0.00 -0.26 -0.18 0.22 115.58 117.71 3fi0 h ASN 308 Ca 0.14 -0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 3fi0 h ASN 308 Cb 0.68 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.67 3fi0 h ASN 308 CO 0.05 0.78 -0.45 -0.09 -1.06 0.00 0.00 177.43 176.66 3fi0 h ARG 309 N 1.11 -0.88 0.08 0.81 1.12 -1.26 0.29 114.38 115.65 3fi0 h ARG 309 Ca 0.28 0.06 -0.00 0.00 -1.11 0.00 0.00 59.98 59.21 3fi0 h ARG 309 Cb 0.00 0.20 0.00 0.00 -0.01 0.00 0.00 29.97 30.16 3fi0 h ARG 309 CO -0.05 -0.58 -0.04 0.28 -3.11 0.00 0.00 179.97 176.47 3fi0 h VAL 310 N -0.91 1.04 -0.14 0.20 2.07 -1.30 -3.02 116.25 114.19 3fi0 h VAL 310 Ca -0.05 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 66.98 3fi0 h VAL 310 Cb 0.80 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 3fi0 h VAL 310 CO -0.06 0.10 -0.25 0.00 0.02 0.00 0.00 177.57 177.38 3fi0 h ALA 311 N 0.60 1.32 -0.44 1.67 0.00 -0.56 -3.07 119.26 118.78 3fi0 h ALA 311 Ca -0.01 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 3fi0 h ALA 311 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3fi0 h ALA 311 CO 0.02 0.47 -0.24 0.77 0.00 0.00 0.00 179.25 180.26 3fi0 h SER 312 N 0.23 0.98 0.00 0.00 0.02 -0.45 -1.87 113.55 112.45 3fi0 h SER 312 Ca 0.04 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 3fi0 h SER 312 Cb 0.58 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3fi0 h SER 312 CO 0.04 1.18 0.00 1.21 -1.14 0.00 0.00 176.83 178.12 3fi0 n GLU 313 N -4.14 0.24 0.00 3.45 4.07 -1.14 -1.71 120.64 121.41 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 0.47 -1.24 0.00 0.00 -0.06 0.00 0.00 31.44 30.61 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 0.61 0.00 0.08 6.31 0.31 -0.70 -1.67 118.33 123.27 3fi0 n VAL 315 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 3fi0 n VAL 315 Cb 0.09 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.96 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 -0.24 -1.79 5.55 2.43 -1.60 -0.59 114.38 118.15 3fi0 h ARG 316 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3fi0 h ARG 316 Cb 0.00 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3fi0 h ARG 316 CO 0.00 -0.16 0.00 1.63 -1.51 0.00 0.00 179.97 179.93 3fi0 n LYS 317 N -5.25 0.15 0.00 0.20 5.02 -0.67 -1.33 118.16 116.28 3fi0 n LYS 317 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3fi0 n LYS 317 Cb 0.17 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 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 0.91 0.00 -0.13 1.97 1.02 -0.23 -1.30 120.64 122.87 3fi0 n GLU 319 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 3fi0 n GLU 319 Cb 0.07 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.49 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 0.55 -0.33 3.49 5.75 -1.45 1.03 115.11 124.15 3fi0 h GLN 320 Ca 0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 3fi0 h GLN 320 Cb 0.00 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.44 3fi0 h GLN 320 CO 0.00 0.42 0.00 0.00 -2.65 0.00 0.00 178.83 176.60 3fi0 n ALA 321 N -2.24 1.60 -1.91 3.38 0.00 -0.42 -4.78 120.51 116.15 3fi0 n ALA 321 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 3fi0 n ALA 321 Cb 0.06 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 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 0.26 0.64 3.72 0.00 0.00 0.33 -4.98 105.19 105.16 3fi0 n GLY 323 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 4.39 0.00 0.99 1.43 0.14 -4.88 118.68 120.75 3fi0 s LEU 324 Ca 0.00 1.45 0.00 0.00 -1.03 0.00 0.00 54.13 54.55 3fi0 s LEU 324 Cb 0.00 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 42.91 3fi0 s LEU 324 CO 0.00 -0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.08 3fi0 n GLY 325 N 2.76 2.24 0.00 -3.19 0.00 -1.26 -4.66 105.19 101.07 3fi0 n GLY 325 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3fi0 n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86