#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 5.15 -0.04 -0.18 2.01 -1.26 -1.70 115.64 119.62 3fi0 s THR 3 Ca 0.00 0.81 0.05 0.00 0.31 0.00 0.00 61.69 62.87 3fi0 s THR 3 Cb 0.00 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 3fi0 s THR 3 CO 0.00 0.45 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.55 3fi0 s ILE 4 N -0.12 2.63 -0.08 1.82 1.01 0.41 -0.20 121.20 126.66 3fi0 s ILE 4 Ca 0.23 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3fi0 s ILE 4 Cb -0.15 -1.99 0.02 0.00 0.01 0.00 0.00 42.46 40.35 3fi0 s ILE 4 CO 0.10 0.59 -0.08 0.12 0.00 0.00 0.00 174.94 175.67 3fi0 s PHE 5 N -0.66 1.30 -0.12 3.97 2.19 -0.75 -1.07 117.98 122.84 3fi0 s PHE 5 Ca 0.10 -0.55 0.02 0.00 0.33 0.00 0.00 56.93 56.83 3fi0 s PHE 5 Cb -0.10 -1.06 0.01 0.00 -1.31 0.00 0.00 43.02 40.56 3fi0 s PHE 5 CO -0.00 -0.37 -0.17 0.45 1.83 0.00 0.00 175.22 176.96 3fi0 s SER 6 N 1.27 2.63 -0.20 6.13 0.15 0.62 -4.15 113.70 120.16 3fi0 s SER 6 Ca -0.04 -0.48 -0.08 0.00 0.70 0.00 0.00 55.95 56.05 3fi0 s SER 6 Cb -0.14 -1.19 -0.04 0.00 -1.71 0.00 0.00 66.02 62.94 3fi0 s SER 6 CO -0.03 0.02 0.08 -0.83 1.20 0.00 0.00 173.24 173.68 3fi0 s GLY 7 N 0.99 1.91 -0.11 9.45 0.00 -1.26 0.44 107.32 118.74 3fi0 s GLY 7 Ca -0.06 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 43.89 3fi0 s GLY 7 CO -0.03 0.15 -0.21 -0.42 0.00 0.00 0.00 173.10 172.60 3fi0 s ILE 8 N 0.59 2.35 -0.02 0.90 -1.09 0.36 -4.93 121.20 119.37 3fi0 s ILE 8 Ca 0.04 -0.91 -0.19 0.00 -2.23 0.00 0.00 60.65 57.36 3fi0 s ILE 8 Cb -0.13 -1.93 -0.11 0.00 -1.58 0.00 0.00 42.46 38.71 3fi0 s ILE 8 CO 0.01 0.55 0.81 1.56 -1.23 0.00 0.00 174.94 176.64 3fi0 h GLN 9 N 6.75 -0.63 0.00 2.79 1.08 -1.88 -0.51 115.11 122.71 3fi0 h GLN 9 Ca -0.22 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.03 3fi0 h GLN 9 Cb 1.23 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.80 3fi0 h GLN 9 CO 0.50 -0.40 0.00 0.41 -0.95 0.00 0.00 178.83 178.39 3fi0 n GLY 17 N 0.06 -0.13 0.34 3.46 0.00 -1.26 -4.93 105.19 102.72 3fi0 n GLY 17 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 3fi0 n GLY 17 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3fi0 h ASN 18 N 0.00 -1.25 -0.90 1.61 -0.73 -1.96 0.44 115.58 112.79 3fi0 h ASN 18 Ca 0.00 0.15 0.06 0.00 1.87 0.00 0.00 56.30 58.38 3fi0 h ASN 18 Cb 0.00 0.49 -0.06 0.00 0.27 0.00 0.00 38.32 39.02 3fi0 h ASN 18 CO 0.00 -0.35 0.58 0.22 -0.37 0.00 0.00 177.43 177.51 3fi0 h TYR 19 N -0.42 1.04 0.00 0.67 3.20 -1.96 1.08 116.97 120.58 3fi0 h TYR 19 Ca 0.02 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.76 3fi0 h TYR 19 Cb 0.49 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3fi0 h TYR 19 CO -0.55 0.56 -0.77 0.82 -1.64 0.00 0.00 178.16 176.59 3fi0 h ILE 20 N 1.04 1.54 0.00 1.81 5.03 -1.94 0.30 117.51 125.28 3fi0 h ILE 20 Ca 0.38 -2.64 -0.06 0.00 -0.12 0.00 0.00 64.86 62.42 3fi0 h ILE 20 Cb 0.16 2.43 -0.01 0.00 -3.03 0.00 0.00 36.82 36.37 3fi0 h ILE 20 CO -0.14 0.75 -0.34 1.23 -0.68 0.00 0.00 178.15 178.97 3fi0 h GLY 21 N 2.34 0.00 0.00 5.37 0.00 0.50 -3.30 103.07 107.97 3fi0 h GLY 21 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3fi0 h GLY 21 CO 0.10 0.00 -0.57 0.00 0.00 0.00 0.00 176.54 176.07 3fi0 n ALA 22 N -2.88 2.87 -0.04 3.60 0.00 0.31 -3.12 120.51 121.25 3fi0 n ALA 22 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.16 3fi0 n ALA 22 Cb 0.47 0.28 -0.08 0.00 0.00 0.00 0.00 19.45 20.12 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 0.27 -1.76 0.00 5.85 -1.59 -3.25 115.31 114.83 3fi0 h LEU 23 Ca 0.00 -0.53 -0.03 0.00 0.84 0.00 0.00 57.88 58.16 3fi0 h LEU 23 Cb 0.57 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 3fi0 h LEU 23 CO 0.00 0.74 -0.16 -0.09 -0.34 0.00 0.00 178.44 178.60 3fi0 h ARG 24 N -0.19 0.00 -0.26 1.25 2.43 -1.16 -1.57 114.38 114.88 3fi0 h ARG 24 Ca 0.01 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.99 3fi0 h ARG 24 Cb 0.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3fi0 h ARG 24 CO 0.03 0.16 -0.58 1.96 -1.51 0.00 0.00 179.97 180.03 3fi0 h GLN 25 N 0.00 0.85 -0.36 0.20 1.08 -1.78 -3.21 115.11 111.90 3fi0 h GLN 25 Ca -0.00 -0.57 0.04 0.00 -1.45 0.00 0.00 58.65 56.67 3fi0 h GLN 25 Cb 0.40 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 3fi0 h GLN 25 CO 0.02 1.20 0.24 0.74 -0.95 0.00 0.00 178.83 180.08 3fi0 h PHE 26 N 0.63 0.32 -0.25 2.96 0.05 -1.36 -0.26 116.94 119.04 3fi0 h PHE 26 Ca 0.00 0.01 0.07 0.00 3.82 0.00 0.00 57.97 61.87 3fi0 h PHE 26 Cb 1.20 -0.11 -0.01 0.00 2.00 0.00 0.00 35.95 39.03 3fi0 h PHE 26 CO 0.08 0.18 0.55 -0.24 -0.18 0.00 0.00 178.31 178.70 3fi0 h VAL 27 N 0.33 0.13 0.00 -0.55 3.04 -1.57 -0.82 116.25 116.81 3fi0 h VAL 27 Ca 0.15 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.84 3fi0 h VAL 27 Cb 0.19 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 29.98 3fi0 h VAL 27 CO -0.03 0.00 -0.69 -0.62 -1.01 0.00 0.00 177.57 175.22 3fi0 n GLU 28 N -3.16 1.92 0.19 4.17 -0.58 -0.58 -4.67 120.64 117.93 3fi0 n GLU 28 Ca 0.04 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.83 3fi0 n GLU 28 Cb 0.66 -0.84 0.37 0.00 -0.57 0.00 0.00 31.44 31.06 3fi0 n GLU 28 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3fi0 h LEU 29 N 0.00 0.00 -0.83 -4.62 3.38 -0.40 -2.89 115.31 109.95 3fi0 h LEU 29 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fi0 h LEU 29 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3fi0 h LEU 29 CO 0.00 0.38 0.00 0.00 0.09 0.00 0.00 178.44 178.91 3fi0 n GLN 30 N -3.75 0.12 0.02 1.13 10.64 -0.38 -0.60 117.38 124.57 3fi0 n GLN 30 Ca -0.01 0.51 -0.12 0.00 -1.83 0.00 0.00 57.00 55.55 3fi0 n GLN 30 Cb 0.46 -1.81 -0.14 0.00 -0.86 0.00 0.00 30.24 27.89 3fi0 n GLN 30 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 3fi0 h HIS 31 N 0.00 0.18 0.00 2.61 3.86 -1.78 -3.34 115.15 116.69 3fi0 h HIS 31 Ca 0.00 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 3fi0 h HIS 31 Cb 0.14 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.61 3fi0 h HIS 31 CO 0.00 1.19 -0.97 -1.91 0.86 0.00 0.00 177.93 177.10 3fi0 n GLU 32 N -3.27 0.56 -4.49 2.45 2.13 -0.67 -4.97 120.64 112.38 3fi0 n GLU 32 Ca -0.15 0.11 -0.23 0.00 0.66 0.00 0.00 57.16 57.56 3fi0 n GLU 32 Cb 1.03 -1.80 -0.11 0.00 0.27 0.00 0.00 31.44 30.83 3fi0 n GLU 32 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 3fi0 s TYR 33 N -3.34 2.09 -0.59 4.31 1.51 0.23 -4.71 117.35 116.86 3fi0 s TYR 33 Ca 0.00 -0.88 -0.16 0.00 -1.01 0.00 0.00 57.07 55.03 3fi0 s TYR 33 Cb 0.10 -1.38 0.14 0.00 -0.11 0.00 0.00 41.96 40.71 3fi0 s TYR 33 CO 0.78 0.12 0.55 1.21 -1.11 0.00 0.00 175.55 177.11 3fi0 s ASN 34 N -3.53 6.27 -0.06 2.29 3.04 -0.69 -4.67 114.94 117.59 3fi0 s ASN 34 Ca 0.36 -1.89 -0.02 0.00 0.04 0.00 0.00 52.86 51.34 3fi0 s ASN 34 Cb 0.09 -2.22 -0.04 0.00 -1.54 0.00 0.00 41.25 37.54 3fi0 s ASN 34 CO 0.16 -0.84 0.07 0.00 -3.04 0.00 0.00 177.10 173.45 3fi0 s TYR 36 N -1.06 1.94 -0.37 0.00 2.02 -0.23 -1.53 117.35 118.12 3fi0 s TYR 36 Ca 0.18 -0.69 0.02 0.00 -0.37 0.00 0.00 57.07 56.21 3fi0 s TYR 36 Cb -0.12 -1.33 0.11 0.00 -0.40 0.00 0.00 41.96 40.22 3fi0 s TYR 36 CO 0.08 -0.28 0.13 -0.06 -1.57 0.00 0.00 175.55 173.84 3fi0 s PHE 37 N 0.32 2.81 -0.15 2.71 0.40 0.51 -0.28 117.98 124.30 3fi0 s PHE 37 Ca -0.12 -2.58 -0.17 0.00 -0.60 0.00 0.00 56.93 53.46 3fi0 s PHE 37 Cb -0.15 -2.40 -0.04 0.00 0.51 0.00 0.00 43.02 40.94 3fi0 s PHE 37 CO 0.05 -0.87 0.45 0.00 0.70 0.00 0.00 175.22 175.55 3fi0 s ILE 39 N 0.90 4.59 -1.39 0.00 1.01 -0.01 0.14 121.20 126.44 3fi0 s ILE 39 Ca 0.23 -0.27 -0.16 0.00 0.00 0.00 0.00 60.65 60.46 3fi0 s ILE 39 Cb -0.15 -4.48 0.05 0.00 0.01 0.00 0.00 42.46 37.90 3fi0 s ILE 39 CO 0.09 -1.08 2.03 1.33 0.00 0.00 0.00 174.94 177.31 3fi0 n VAL 40 N 5.86 3.65 0.17 2.92 0.24 -0.20 -0.81 118.33 130.16 3fi0 n VAL 40 Ca -0.04 -3.46 0.01 0.00 -2.04 0.00 0.00 64.34 58.81 3fi0 n VAL 40 Cb 0.46 -2.50 0.30 0.00 -1.47 0.00 0.00 33.84 30.63 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 6.66 0.01 0.66 -1.34 2.03 -1.93 -2.60 116.42 119.90 3fi0 h ASP 41 Ca 0.52 -0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.70 3fi0 h ASP 41 Cb 0.74 -0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.22 3fi0 h ASP 41 CO 1.71 0.45 -0.54 1.56 -1.03 0.00 0.00 179.24 181.39 3fi0 h GLN 42 N 0.01 0.00 0.00 4.15 4.20 -1.95 -2.64 115.11 118.88 3fi0 h GLN 42 Ca -0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 3fi0 h GLN 42 Cb 0.78 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 3fi0 h GLN 42 CO 0.06 0.54 -0.63 0.45 -0.67 0.00 0.00 178.83 178.58 3fi0 h HIS 43 N 0.00 0.00 -0.09 2.96 3.86 -1.91 -3.26 115.15 116.72 3fi0 h HIS 43 Ca -0.01 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 3fi0 h HIS 43 Cb 1.02 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.48 3fi0 h HIS 43 CO 0.00 0.63 -0.25 0.00 0.86 0.00 0.00 177.93 179.17 3fi0 h ALA 44 N 1.37 1.41 -0.02 2.45 0.00 -1.09 -3.08 119.26 120.31 3fi0 h ALA 44 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3fi0 h ALA 44 Cb 1.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3fi0 h ALA 44 CO 0.08 0.42 0.00 0.44 0.00 0.00 0.00 179.25 180.19 3fi0 n ILE 45 N -4.19 0.05 1.30 0.00 -5.35 -1.19 -3.02 119.36 106.96 3fi0 n ILE 45 Ca -0.01 -0.03 0.14 0.00 -0.27 0.00 0.00 62.75 62.57 3fi0 n ILE 45 Cb 0.34 -0.14 0.63 0.00 -1.74 0.00 0.00 39.64 38.74 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 -0.30 0.00 -4.17 7.28 -2.24 -1.16 -4.78 114.28 108.91 3fi0 n THR 46 Ca 0.01 -0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.64 3fi0 n THR 46 Cb 0.10 -0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.66 0.81 0.09 2.28 -7.23 -1.17 -4.61 120.40 107.91 3fi0 s VAL 47 Ca 0.24 -1.78 -0.34 0.00 -1.81 0.00 0.00 61.98 58.29 3fi0 s VAL 47 Cb 0.20 -1.51 -0.13 0.00 0.56 0.00 0.00 36.38 35.50 3fi0 s VAL 47 CO 0.50 -0.72 1.69 1.87 -0.31 0.00 0.00 175.10 178.13 3fi0 n TRP 48 N 0.25 2.32 -4.21 2.82 -0.00 -1.26 -4.98 117.44 112.39 3fi0 n TRP 48 Ca -0.14 0.15 -0.17 0.00 -0.00 0.00 0.00 57.50 57.34 3fi0 n TRP 48 Cb 0.59 -2.59 -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 1.96 0.56 -0.25 5.87 -1.52 -1.26 -5.06 119.66 119.95 3fi0 s GLN 49 Ca 0.83 -0.21 -0.22 0.00 -1.95 0.00 0.00 55.36 53.81 3fi0 s GLN 49 Cb -0.66 -0.55 -0.01 0.00 -0.22 0.00 0.00 33.01 31.57 3fi0 s GLN 49 CO 0.42 0.10 0.73 0.34 -0.25 0.00 0.00 175.29 176.63 3fi0 s ASP 50 N 0.02 6.70 0.59 5.90 -1.08 -1.26 -4.92 116.67 122.61 3fi0 s ASP 50 Ca 0.00 0.84 0.33 0.00 -0.52 0.00 0.00 52.55 53.20 3fi0 s ASP 50 Cb -0.04 -2.39 1.31 0.00 -1.46 0.00 0.00 42.92 40.34 3fi0 s ASP 50 CO -0.00 -0.46 1.60 -0.65 0.52 0.00 0.00 175.17 176.18 3fi0 h PRO 51 N 7.82 0.00 0.11 4.34 0.11 -1.99 -0.95 132.00 141.44 3fi0 h PRO 51 Ca -0.25 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.52 3fi0 h PRO 51 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3fi0 h PRO 51 CO 0.83 0.00 -1.86 1.25 -0.21 0.00 0.00 178.00 178.00 3fi0 h HIS 52 N 0.00 0.42 -0.28 0.65 2.76 -1.99 -2.87 115.15 113.84 3fi0 h HIS 52 Ca 0.49 -0.30 -0.05 0.00 -2.20 0.00 0.00 60.37 58.30 3fi0 h HIS 52 Cb 2.44 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 31.37 3fi0 h HIS 52 CO 0.00 1.58 -0.03 0.93 -1.30 0.00 0.00 177.93 179.11 3fi0 h GLU 53 N 0.06 0.52 0.60 5.26 4.39 -1.65 -2.22 114.58 121.54 3fi0 h GLU 53 Ca -0.37 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.13 3fi0 h GLU 53 Cb 2.04 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 30.63 3fi0 h GLU 53 CO 0.11 0.70 -0.51 1.25 -1.16 0.00 0.00 179.01 179.40 3fi0 h LEU 54 N 0.30 -1.36 -1.73 1.33 5.85 -1.37 0.60 115.31 118.94 3fi0 h LEU 54 Ca 0.08 0.10 0.14 0.00 0.84 0.00 0.00 57.88 59.04 3fi0 h LEU 54 Cb 0.48 0.43 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 3fi0 h LEU 54 CO 0.02 -0.70 0.45 -0.09 -0.34 0.00 0.00 178.44 177.78 3fi0 h ARG 55 N -1.08 0.27 0.24 1.25 9.65 -1.58 -0.03 114.38 123.11 3fi0 h ARG 55 Ca -0.08 -0.02 -0.32 0.00 -1.10 0.00 0.00 59.98 58.47 3fi0 h ARG 55 Cb 0.91 -0.06 0.04 0.00 -1.39 0.00 0.00 29.97 29.47 3fi0 h ARG 55 CO -0.01 0.18 -1.40 1.96 2.80 0.00 0.00 179.97 183.50 3fi0 h GLN 56 N 0.27 0.51 0.00 0.20 7.50 -1.18 -3.24 115.11 119.19 3fi0 h GLN 56 Ca 0.32 -0.88 -0.03 0.00 0.50 0.00 0.00 58.65 58.56 3fi0 h GLN 56 Cb 0.87 0.33 -0.00 0.00 0.05 0.00 0.00 27.48 28.72 3fi0 h GLN 56 CO -0.07 1.42 -0.14 -0.91 -1.50 0.00 0.00 178.83 177.62 3fi0 h ASN 57 N 0.08 0.00 -0.29 1.46 2.35 0.15 -1.90 115.58 117.42 3fi0 h ASN 57 Ca -0.24 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.32 3fi0 h ASN 57 Cb 2.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.47 3fi0 h ASN 57 CO 0.26 0.14 -0.54 0.40 -1.65 0.00 0.00 177.43 176.04 3fi0 h ILE 58 N 0.00 1.27 0.01 2.81 2.04 -1.09 -2.69 117.51 119.86 3fi0 h ILE 58 Ca -0.00 -1.72 -0.00 0.00 1.00 0.00 0.00 64.86 64.14 3fi0 h ILE 58 Cb 0.36 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 3fi0 h ILE 58 CO 0.02 0.56 -0.01 0.03 0.00 0.00 0.00 178.15 178.76 3fi0 h ARG 59 N 0.68 -0.01 -0.96 2.37 3.08 -1.49 -2.82 114.38 115.23 3fi0 h ARG 59 Ca 0.02 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.25 3fi0 h ARG 59 Cb 1.15 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.12 3fi0 h ARG 59 CO 0.12 0.51 0.61 0.00 -1.07 0.00 0.00 179.97 180.14 3fi0 h ARG 60 N -0.55 0.62 -0.13 0.04 3.08 -1.43 -1.31 114.38 114.72 3fi0 h ARG 60 Ca -0.00 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 59.83 3fi0 h ARG 60 Cb 0.53 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.45 3fi0 h ARG 60 CO 0.00 0.41 -0.64 1.25 -1.07 0.00 0.00 179.97 179.92 3fi0 h LEU 61 N 0.64 0.79 0.12 3.04 5.85 -1.49 -2.24 115.31 122.02 3fi0 h LEU 61 Ca 0.52 -0.64 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3fi0 h LEU 61 Cb 0.96 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3fi0 h LEU 61 CO -0.27 1.30 -0.06 0.00 -0.34 0.00 0.00 178.44 179.07 3fi0 h ALA 62 N 0.51 -0.16 0.00 1.25 0.00 -1.10 -1.82 119.26 117.93 3fi0 h ALA 62 Ca -0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3fi0 h ALA 62 Cb 1.28 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3fi0 h ALA 62 CO 0.13 -0.54 -0.00 0.00 0.00 0.00 0.00 179.25 178.84 3fi0 h ALA 63 N 0.62 1.77 0.01 0.00 0.00 -1.34 -1.09 119.26 119.24 3fi0 h ALA 63 Ca -0.02 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 3fi0 h ALA 63 Cb 0.20 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.01 3fi0 h ALA 63 CO 0.03 0.00 -1.03 -0.07 0.00 0.00 0.00 179.25 178.18 3fi0 h LEU 64 N 0.00 0.76 -0.52 0.00 3.38 -1.03 0.19 115.31 118.10 3fi0 h LEU 64 Ca -0.00 -0.62 -0.17 0.00 0.09 0.00 0.00 57.88 57.19 3fi0 h LEU 64 Cb 0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3fi0 h LEU 64 CO 0.00 1.42 -0.65 1.88 0.09 0.00 0.00 178.44 181.18 3fi0 h TYR 65 N 0.32 0.48 -0.13 1.13 -1.99 -0.80 0.80 116.97 116.78 3fi0 h TYR 65 Ca -0.12 -0.19 -0.19 0.00 2.00 0.00 0.00 58.73 60.23 3fi0 h TYR 65 Cb 1.68 -0.08 0.01 0.00 2.00 0.00 0.00 36.73 40.34 3fi0 h TYR 65 CO 0.09 0.91 -0.67 -0.07 -0.00 0.00 0.00 178.16 178.42 3fi0 h LEU 66 N 0.27 0.80 -1.31 3.88 3.38 -1.23 0.15 115.31 121.24 3fi0 h LEU 66 Ca -0.01 -0.64 -0.06 0.00 0.09 0.00 0.00 57.88 57.26 3fi0 h LEU 66 Cb 1.19 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 3fi0 h LEU 66 CO 0.11 1.31 -0.15 0.00 0.09 0.00 0.00 178.44 179.81 3fi0 h ALA 67 N 0.51 1.43 0.00 1.53 0.00 -0.50 -2.03 119.26 120.20 3fi0 h ALA 67 Ca -0.05 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 3fi0 h ALA 67 Cb 1.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3fi0 h ALA 67 CO 0.14 0.40 -0.28 0.28 0.00 0.00 0.00 179.25 179.79 3fi0 h VAL 68 N 0.27 0.68 0.00 0.00 2.07 -0.78 -3.43 116.25 115.05 3fi0 h VAL 68 Ca 0.05 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.32 3fi0 h VAL 68 Cb 0.42 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3fi0 h VAL 68 CO 0.03 0.27 0.00 0.61 0.02 0.00 0.00 177.57 178.50 3fi0 n GLY 69 N 0.16 1.54 3.72 2.17 0.00 -0.76 -4.97 105.19 107.05 3fi0 n GLY 69 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 4.09 -0.40 -0.61 -1.09 0.52 -4.71 121.20 117.47 3fi0 s ILE 70 Ca 0.00 1.60 -0.10 0.00 -2.23 0.00 0.00 60.65 59.92 3fi0 s ILE 70 Cb 0.00 -4.03 0.06 0.00 -1.58 0.00 0.00 42.46 36.91 3fi0 s ILE 70 CO 0.00 0.18 0.24 -0.62 -1.23 0.00 0.00 174.94 173.51 3fi0 s ASP 71 N 0.63 5.68 0.00 3.58 2.15 -1.26 -4.53 116.67 122.93 3fi0 s ASP 71 Ca 0.54 -1.30 0.03 0.00 0.43 0.00 0.00 52.55 52.26 3fi0 s ASP 71 Cb -0.28 -2.00 0.14 0.00 -0.30 0.00 0.00 42.92 40.48 3fi0 s ASP 71 CO 0.31 -0.48 1.04 -0.81 -0.17 0.00 0.00 175.17 175.06 3fi0 n PRO 72 N 4.96 0.02 -0.06 4.34 -0.04 -1.26 0.19 135.00 143.14 3fi0 n PRO 72 Ca -0.11 0.38 -0.20 0.00 -0.04 0.00 0.00 63.50 63.53 3fi0 n PRO 72 Cb 0.44 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.28 3fi0 n PRO 72 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3fi0 h THR 73 N 0.00 1.18 0.29 0.52 1.35 -1.99 -3.39 112.91 110.86 3fi0 h THR 73 Ca 0.00 -2.28 -0.01 0.00 -0.55 0.00 0.00 66.41 63.56 3fi0 h THR 73 Cb 0.05 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 3fi0 h THR 73 CO 0.00 0.50 -0.14 -0.61 -0.25 0.00 0.00 175.52 175.02 3fi0 h GLN 74 N -0.81 -0.37 -5.70 4.72 5.75 -1.16 -3.47 115.11 114.07 3fi0 h GLN 74 Ca -0.24 0.03 -0.61 0.00 -0.15 0.00 0.00 58.65 57.67 3fi0 h GLN 74 Cb 1.35 0.08 -0.11 0.00 1.07 0.00 0.00 27.48 29.87 3fi0 h GLN 74 CO -0.08 -0.04 -0.55 0.00 -2.65 0.00 0.00 178.83 175.51 3fi0 s ALA 75 N -4.66 3.44 -0.27 3.38 0.00 0.51 -4.72 121.76 119.44 3fi0 s ALA 75 Ca -0.14 -2.02 -0.08 0.00 0.00 0.00 0.00 51.96 49.72 3fi0 s ALA 75 Cb 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 3fi0 s ALA 75 CO 0.53 -0.14 0.08 0.99 0.00 0.00 0.00 175.76 177.23 3fi0 s THR 76 N -2.69 4.27 -0.17 0.00 2.01 -0.58 -4.26 115.64 114.21 3fi0 s THR 76 Ca 0.34 -0.32 -0.00 0.00 0.31 0.00 0.00 61.69 62.01 3fi0 s THR 76 Cb 0.07 -3.07 0.04 0.00 0.01 0.00 0.00 72.50 69.55 3fi0 s THR 76 CO 0.18 0.24 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.07 3fi0 s LEU 77 N 1.59 1.78 0.22 4.42 2.96 -1.26 -0.36 118.68 128.03 3fi0 s LEU 77 Ca 0.05 -0.71 -0.08 0.00 -0.22 0.00 0.00 54.13 53.17 3fi0 s LEU 77 Cb -0.16 -1.00 -0.02 0.00 0.50 0.00 0.00 46.19 45.51 3fi0 s LEU 77 CO 0.04 -0.17 0.33 0.72 -1.32 0.00 0.00 176.35 175.95 3fi0 s PHE 78 N 1.57 0.66 -0.26 5.38 -0.71 -0.97 -4.24 117.98 119.39 3fi0 s PHE 78 Ca 0.00 -0.97 -0.16 0.00 -1.04 0.00 0.00 56.93 54.77 3fi0 s PHE 78 Cb -0.15 -0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.52 3fi0 s PHE 78 CO -0.08 -0.84 0.41 0.42 -1.34 0.00 0.00 175.22 173.80 3fi0 s ILE 79 N -4.06 5.14 0.30 -4.49 1.01 -1.26 -0.83 121.20 117.01 3fi0 s ILE 79 Ca 0.28 0.66 0.02 0.00 0.00 0.00 0.00 60.65 61.61 3fi0 s ILE 79 Cb 0.02 -3.74 0.39 0.00 0.01 0.00 0.00 42.46 39.14 3fi0 s ILE 79 CO 0.09 0.14 1.59 -0.61 0.00 0.00 0.00 174.94 176.15 3fi0 h GLN 80 N 8.10 0.04 0.00 2.79 4.15 -1.32 0.14 115.11 129.00 3fi0 h GLN 80 Ca -0.31 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.11 3fi0 h GLN 80 Cb 1.16 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.84 3fi0 h GLN 80 CO 0.67 0.03 0.00 -1.13 -1.93 0.00 0.00 178.83 176.46 3fi0 n SER 81 N -5.44 0.38 -0.24 -0.69 3.41 -1.26 -1.97 113.62 107.81 3fi0 n SER 81 Ca 0.23 0.60 0.15 0.00 -0.26 0.00 0.00 58.87 59.59 3fi0 n SER 81 Cb 0.75 -0.68 0.68 0.00 -0.26 0.00 0.00 64.21 64.70 3fi0 n SER 81 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fi0 n GLU 82 N -1.93 1.22 -3.98 4.33 1.02 0.47 -4.35 120.64 117.43 3fi0 n GLU 82 Ca 0.02 -0.48 -0.31 0.00 -0.02 0.00 0.00 57.16 56.37 3fi0 n GLU 82 Cb 0.18 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 29.96 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 -2.11 2.16 -0.11 2.62 1.01 -0.83 -4.92 120.40 118.22 3fi0 s VAL 83 Ca 0.39 -2.38 0.28 0.00 0.00 0.00 0.00 61.98 60.27 3fi0 s VAL 83 Cb 0.21 -2.59 0.29 0.00 0.00 0.00 0.00 36.38 34.29 3fi0 s VAL 83 CO 0.38 -0.64 1.84 -0.65 0.00 0.00 0.00 175.10 176.03 3fi0 h PRO 84 N 7.51 0.00 0.00 2.72 0.11 -1.81 -2.51 132.00 138.02 3fi0 h PRO 84 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3fi0 h PRO 84 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3fi0 h PRO 84 CO 0.53 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.32 3fi0 n ALA 85 N -1.87 1.43 0.03 -0.75 0.00 -1.26 -2.67 120.51 115.42 3fi0 n ALA 85 Ca -0.00 0.04 -0.19 0.00 0.00 0.00 0.00 53.44 53.29 3fi0 n ALA 85 Cb 0.14 -1.25 -0.12 0.00 0.00 0.00 0.00 19.45 18.23 3fi0 n ALA 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3fi0 h HIS 86 N 0.00 0.73 0.00 0.00 3.86 -1.76 -2.86 115.15 115.12 3fi0 h HIS 86 Ca 0.00 -0.42 -0.02 0.00 -1.16 0.00 0.00 60.37 58.77 3fi0 h HIS 86 Cb 0.19 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 3fi0 h HIS 86 CO 0.00 1.25 -0.49 0.00 0.86 0.00 0.00 177.93 179.55 3fi0 h ALA 87 N 0.30 0.77 -0.07 2.45 0.00 -1.73 -0.84 119.26 120.14 3fi0 h ALA 87 Ca -0.11 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 3fi0 h ALA 87 Cb 1.49 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.30 3fi0 h ALA 87 CO 0.15 0.14 -0.58 1.96 0.00 0.00 0.00 179.25 180.92 3fi0 h GLN 88 N 0.00 0.52 -0.04 0.00 4.20 -1.61 -2.65 115.11 115.54 3fi0 h GLN 88 Ca -0.01 -0.47 -0.19 0.00 0.06 0.00 0.00 58.65 58.04 3fi0 h GLN 88 Cb 1.09 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 3fi0 h GLN 88 CO 0.01 1.10 -0.79 0.00 -0.67 0.00 0.00 178.83 178.48 3fi0 h ALA 89 N 0.43 0.57 -0.90 3.87 0.00 -1.57 -3.06 119.26 118.61 3fi0 h ALA 89 Ca -0.05 -0.65 0.03 0.00 0.00 0.00 0.00 54.91 54.23 3fi0 h ALA 89 Cb 1.24 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 3fi0 h ALA 89 CO 0.12 0.82 0.59 0.00 0.00 0.00 0.00 179.25 180.78 3fi0 h ALA 90 N 0.96 1.41 0.00 0.00 0.00 -1.17 -1.69 119.26 118.77 3fi0 h ALA 90 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3fi0 h ALA 90 Cb 1.38 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3fi0 h ALA 90 CO 0.13 0.51 0.00 1.87 0.00 0.00 0.00 179.25 181.76 3fi0 n TRP 91 N -4.43 0.00 0.00 0.00 -0.00 -1.00 -1.88 117.44 110.13 3fi0 n TRP 91 Ca 0.12 -0.06 0.00 0.00 -0.00 0.00 0.00 57.50 57.56 3fi0 n TRP 91 Cb 0.08 -0.07 0.00 0.00 -0.00 0.00 0.00 31.31 31.32 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 0.47 0.00 0.07 5.87 4.77 -0.64 -2.24 117.00 125.30 3fi0 n LEU 93 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 3fi0 n LEU 93 Cb 0.12 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.09 3fi0 n LEU 93 CO 0.00 0.00 0.11 -0.61 -1.33 0.00 0.00 177.39 175.56 3fi0 h GLN 94 N 0.00 0.04 0.00 3.23 4.15 -1.63 -2.48 115.11 118.42 3fi0 h GLN 94 Ca 0.00 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 3fi0 h GLN 94 Cb 0.00 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 3fi0 h GLN 94 CO 0.00 1.03 -0.09 0.00 -1.93 0.00 0.00 178.83 177.84 3fi0 n ILE 96 N -3.21 0.00 -1.60 0.00 -5.35 -1.21 -4.96 119.36 103.03 3fi0 n ILE 96 Ca 0.01 -0.33 -0.30 0.00 -0.27 0.00 0.00 62.75 61.86 3fi0 n ILE 96 Cb 0.36 0.27 0.07 0.00 -1.74 0.00 0.00 39.64 38.60 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 -2.99 3.46 -0.01 7.28 0.11 -0.94 -5.05 120.40 122.27 3fi0 s VAL 97 Ca -0.04 0.47 0.01 0.00 -2.93 0.00 0.00 61.98 59.50 3fi0 s VAL 97 Cb 0.10 -3.25 -0.04 0.00 -1.53 0.00 0.00 36.38 31.67 3fi0 s VAL 97 CO 0.65 -0.62 0.00 -0.31 -3.33 0.00 0.00 175.10 171.49 3fi0 s TYR 98 N -3.14 3.08 0.33 1.54 2.02 -1.26 -4.95 117.35 114.97 3fi0 s TYR 98 Ca 0.59 0.09 0.04 0.00 -0.37 0.00 0.00 57.07 57.42 3fi0 s TYR 98 Cb -0.14 -1.68 0.64 0.00 -0.40 0.00 0.00 41.96 40.38 3fi0 s TYR 98 CO 0.54 0.46 1.91 0.82 -1.57 0.00 0.00 175.55 177.72 3fi0 h ILE 99 N 3.54 1.00 -0.57 2.71 2.04 -1.96 -1.84 117.51 122.43 3fi0 h ILE 99 Ca -0.49 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.02 3fi0 h ILE 99 Cb 1.18 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3fi0 h ILE 99 CO 0.57 0.16 0.18 1.23 0.00 0.00 0.00 178.15 180.30 3fi0 h GLY 100 N 0.89 0.91 2.00 5.37 0.00 -1.99 -1.88 103.07 108.37 3fi0 h GLY 100 Ca 0.38 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 3fi0 h GLY 100 CO -0.15 0.46 -0.41 0.83 0.00 0.00 0.00 176.54 177.27 3fi0 h GLU 101 N 0.83 0.00 -0.17 4.80 5.08 -1.75 0.47 114.58 123.83 3fi0 h GLU 101 Ca 0.19 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.34 3fi0 h GLU 101 Cb 0.23 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.49 3fi0 h GLU 101 CO -0.01 0.41 -0.71 -0.07 -1.00 0.00 0.00 179.01 177.63 3fi0 h LEU 102 N 0.00 0.87 -0.14 1.33 3.38 -1.12 -3.28 115.31 116.34 3fi0 h LEU 102 Ca -0.00 -0.54 -0.18 0.00 0.09 0.00 0.00 57.88 57.25 3fi0 h LEU 102 Cb 0.76 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.26 3fi0 h LEU 102 CO 0.05 1.33 -0.60 -0.33 0.09 0.00 0.00 178.44 178.98 3fi0 h GLU 103 N 0.53 0.66 -5.96 1.13 5.08 -1.05 -3.46 114.58 111.52 3fi0 h GLU 103 Ca -0.03 -0.52 -0.62 0.00 -1.00 0.00 0.00 59.36 57.18 3fi0 h GLU 103 Cb 1.32 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 3fi0 h GLU 103 CO 0.14 1.14 1.47 0.54 -1.00 0.00 0.00 179.01 181.31 3fi0 n ARG 104 N -4.10 1.51 -0.03 2.33 1.74 0.13 -4.95 116.66 113.28 3fi0 n ARG 104 Ca -0.07 0.40 -0.05 0.00 -0.77 0.00 0.00 57.85 57.36 3fi0 n ARG 104 Cb 0.65 -2.89 -0.03 0.00 -1.02 0.00 0.00 32.46 29.17 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 7.53 0.40 0.00 0.55 -1.04 -1.26 -5.09 114.28 115.37 3fi0 n THR 106 Ca 0.36 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 3fi0 n THR 106 Cb 0.35 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 68.10 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 -2.66 1.88 0.00 -2.82 3.00 -1.26 -5.27 117.38 110.24 3fi0 n GLN 107 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 3fi0 n GLN 107 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.88 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 -2.52 5.09 0.31 -1.26 -5.18 118.33 114.77 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 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 3fi0 n VAL 118 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3fi0 s SER 119 N 0.00 7.19 0.25 4.52 0.15 -1.26 -4.92 113.70 119.63 3fi0 s SER 119 Ca 0.00 1.92 -0.06 0.00 0.70 0.00 0.00 55.95 58.52 3fi0 s SER 119 Cb 0.00 -2.58 0.29 0.00 -1.71 0.00 0.00 66.02 62.02 3fi0 s SER 119 CO 0.00 -0.38 1.90 0.00 1.20 0.00 0.00 173.24 175.97 3fi0 h ALA 120 N 6.58 1.26 0.00 5.45 0.00 -2.01 0.28 119.26 130.82 3fi0 h ALA 120 Ca -0.42 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3fi0 h ALA 120 Cb 1.22 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3fi0 h ALA 120 CO 0.78 0.53 0.33 0.78 0.00 0.00 0.00 179.25 181.66 3fi0 h GLY 121 N 1.23 0.00 2.00 0.00 0.00 -1.91 0.73 103.07 105.12 3fi0 h GLY 121 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 3fi0 h GLY 121 CO -0.11 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.47 3fi0 n LEU 122 N -2.58 0.29 0.00 3.11 4.32 0.98 -2.94 117.00 120.17 3fi0 n LEU 122 Ca -0.02 0.55 0.00 0.00 -0.02 0.00 0.00 56.01 56.53 3fi0 n LEU 122 Cb 0.36 -0.49 0.00 0.00 -1.62 0.00 0.00 43.42 41.68 3fi0 n LEU 122 CO 0.10 -0.24 -0.48 -0.11 -1.22 0.00 0.00 177.39 175.44 3fi0 n LEU 123 N -1.80 0.00 -1.14 2.23 7.94 0.24 -4.75 117.00 119.72 3fi0 n LEU 123 Ca 0.04 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 55.05 3fi0 n LEU 123 Cb 0.27 0.00 0.25 0.00 0.53 0.00 0.00 43.42 44.48 3fi0 n LEU 123 CO 0.21 0.00 0.72 0.35 -1.11 0.00 0.00 177.39 177.56 3fi0 n THR 124 N -1.65 0.82 0.10 1.96 -2.24 -0.51 -4.46 114.28 108.30 3fi0 n THR 124 Ca 0.00 -0.91 0.01 0.00 -2.27 0.00 0.00 64.05 60.88 3fi0 n THR 124 Cb 0.21 0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 69.09 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 3.87 0.00 -0.73 4.78 -0.00 -1.79 -3.33 116.97 119.77 3fi0 h TYR 125 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 58.73 58.91 3fi0 h TYR 125 Cb 0.93 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.62 3fi0 h TYR 125 CO 0.36 0.56 0.51 -1.35 -0.00 0.00 0.00 178.16 178.23 3fi0 h PRO 126 N 0.00 0.18 0.00 0.10 0.11 -1.88 0.24 132.00 130.74 3fi0 h PRO 126 Ca -0.05 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.93 3fi0 h PRO 126 Cb 1.47 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.52 3fi0 h PRO 126 CO 0.06 0.12 -0.54 -1.35 -0.21 0.00 0.00 178.00 176.08 3fi0 h PRO 127 N 0.19 0.00 -1.20 1.05 0.11 -1.90 -2.41 132.00 127.83 3fi0 h PRO 127 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 3fi0 h PRO 127 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3fi0 h PRO 127 CO -0.07 0.54 0.00 -0.11 -0.21 0.00 0.00 178.00 178.16 3fi0 n LEU 128 N -3.47 2.41 0.00 2.35 7.94 0.83 -2.28 117.00 124.77 3fi0 n LEU 128 Ca 0.00 -1.20 0.00 0.00 -1.11 0.00 0.00 56.01 53.70 3fi0 n LEU 128 Cb 0.65 -0.40 0.00 0.00 0.53 0.00 0.00 43.42 44.20 3fi0 n LEU 128 CO 0.40 0.40 0.00 0.00 -1.11 0.00 0.00 177.39 177.08 3fi0 n ALA 130 N 0.61 0.00 0.05 1.96 0.00 -0.91 -1.61 120.51 120.61 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 0.40 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.97 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 0.85 0.14 0.00 0.00 -1.75 0.10 119.26 118.60 3fi0 h ALA 131 Ca 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 3fi0 h ALA 131 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3fi0 h ALA 131 CO 0.00 0.68 -0.22 -0.44 0.00 0.00 0.00 179.25 179.27 3fi0 h ASP 132 N 0.30 -0.62 0.04 0.00 3.32 -1.59 -1.45 116.42 116.43 3fi0 h ASP 132 Ca 0.01 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3fi0 h ASP 132 Cb 1.02 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 3fi0 h ASP 132 CO 0.09 -0.26 -0.16 0.40 -1.72 0.00 0.00 179.24 177.59 3fi0 h ILE 133 N -0.38 0.00 -0.13 0.35 2.04 -1.84 -3.19 117.51 114.36 3fi0 h ILE 133 Ca -0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.88 3fi0 h ILE 133 Cb 0.35 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 3fi0 h ILE 133 CO -0.07 0.00 0.13 -0.07 0.00 0.00 0.00 178.15 178.14 3fi0 h LEU 134 N -0.23 0.00 -2.32 1.44 3.38 -0.75 -2.01 115.31 114.82 3fi0 h LEU 134 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3fi0 h LEU 134 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3fi0 h LEU 134 CO -0.08 0.00 -0.02 -0.07 0.09 0.00 0.00 178.44 178.36 3fi0 h LEU 135 N 0.00 0.00 -3.00 1.67 3.38 -1.25 -2.69 115.31 113.43 3fi0 h LEU 135 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3fi0 h LEU 135 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3fi0 h LEU 135 CO -0.00 0.02 -0.26 -1.22 0.09 0.00 0.00 178.44 177.06 3fi0 n TYR 136 N -3.17 0.00 -3.35 1.13 4.01 -0.75 -4.39 117.16 110.63 3fi0 n TYR 136 Ca -0.02 -1.25 -0.21 0.00 -0.16 0.00 0.00 57.90 56.27 3fi0 n TYR 136 Cb 0.17 -0.20 -0.02 0.00 -0.31 0.00 0.00 39.34 38.98 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 -1.26 -2.51 -4.75 7.72 4.13 -1.02 -4.82 115.26 112.75 3fi0 n ASN 137 Ca 0.17 -0.32 -0.41 0.00 1.68 0.00 0.00 54.58 55.71 3fi0 n ASN 137 Cb 0.67 -2.15 -0.03 0.00 -1.54 0.00 0.00 39.78 36.73 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 -2.73 2.88 -0.05 3.41 -4.23 -1.26 -4.65 115.64 109.01 3fi0 s THR 138 Ca 0.37 0.80 0.13 0.00 -1.18 0.00 0.00 61.69 61.81 3fi0 s THR 138 Cb -0.21 -3.51 -0.20 0.00 1.34 0.00 0.00 72.50 69.92 3fi0 s THR 138 CO 0.46 0.15 0.77 0.44 -0.54 0.00 0.00 174.62 175.90 3fi0 h ASP 139 N 4.41 0.00 -3.73 3.99 3.32 -0.90 -3.38 116.42 120.12 3fi0 h ASP 139 Ca -0.47 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.20 3fi0 h ASP 139 Cb 1.22 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.46 3fi0 h ASP 139 CO 0.72 0.90 -0.77 -0.63 -1.72 0.00 0.00 179.24 177.74 3fi0 s ILE 140 N -2.69 0.56 -0.25 0.35 1.01 -0.43 -2.18 121.20 117.58 3fi0 s ILE 140 Ca -0.04 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.39 3fi0 s ILE 140 Cb 0.08 -0.53 0.07 0.00 0.01 0.00 0.00 42.46 42.09 3fi0 s ILE 140 CO 0.82 0.19 -0.02 -0.69 0.00 0.00 0.00 174.94 175.24 3fi0 s VAL 141 N 0.33 1.44 -1.14 2.92 1.01 -0.90 -1.81 120.40 122.25 3fi0 s VAL 141 Ca -0.04 -1.27 -0.21 0.00 0.00 0.00 0.00 61.98 60.45 3fi0 s VAL 141 Cb -0.08 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.51 3fi0 s VAL 141 CO 0.00 -0.21 1.76 -2.84 0.00 0.00 0.00 175.10 173.81 3fi0 s PRO 142 N 1.42 3.27 0.20 2.72 0.02 -1.18 -1.00 135.00 140.45 3fi0 s PRO 142 Ca -0.02 -1.30 0.05 0.00 0.02 0.00 0.00 61.00 59.74 3fi0 s PRO 142 Cb -0.19 -5.34 -0.05 0.00 0.02 0.00 0.00 34.50 28.94 3fi0 s PRO 142 CO -0.08 -2.89 -0.07 0.14 -0.33 0.00 0.00 177.00 173.77 3fi0 s VAL 143 N 7.15 1.27 0.55 3.83 -7.23 -1.26 -4.85 120.40 119.86 3fi0 s VAL 143 Ca 0.59 -2.08 0.01 0.00 -1.81 0.00 0.00 61.98 58.69 3fi0 s VAL 143 Cb 0.00 -2.14 0.11 0.00 0.56 0.00 0.00 36.38 34.91 3fi0 s VAL 143 CO 0.04 -0.51 0.76 0.61 -0.31 0.00 0.00 175.10 175.68 3fi0 n GLY 144 N -0.36 0.94 0.00 2.32 0.00 -1.26 -4.58 105.19 102.25 3fi0 n GLY 144 Ca -0.07 -2.06 0.10 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.36 0.06 0.00 1.61 4.07 -1.26 -1.80 120.64 120.97 3fi0 n GLU 145 Ca 0.13 0.13 0.06 0.00 -0.06 0.00 0.00 57.16 57.42 3fi0 n GLU 145 Cb 0.47 -1.50 0.37 0.00 -0.06 0.00 0.00 31.44 30.72 3fi0 n GLU 145 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 3fi0 n ASP 146 N -1.45 0.00 0.00 4.31 5.75 -1.26 -3.33 116.55 120.56 3fi0 n ASP 146 Ca 0.06 -1.26 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 3fi0 n ASP 146 Cb 0.23 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 3fi0 n ASP 146 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fi0 n GLN 147 N -0.74 -0.15 -0.16 0.11 1.13 -0.74 -4.79 117.38 112.03 3fi0 n GLN 147 Ca 0.09 -0.15 -0.03 0.00 -1.94 0.00 0.00 57.00 54.97 3fi0 n GLN 147 Cb 0.04 -0.63 0.05 0.00 0.11 0.00 0.00 30.24 29.81 3fi0 n GLN 147 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 3fi0 h LYS 148 N 0.00 0.03 -0.81 -1.09 2.10 -1.64 0.24 116.57 115.40 3fi0 h LYS 148 Ca 0.00 -0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.73 3fi0 h LYS 148 Cb 0.31 -0.01 -0.07 0.00 -0.90 0.00 0.00 32.23 31.57 3fi0 h LYS 148 CO 0.00 0.02 0.47 0.37 -2.00 0.00 0.00 179.45 178.31 3fi0 h GLN 149 N 0.03 0.79 -0.69 0.07 4.15 -1.87 0.18 115.11 117.78 3fi0 h GLN 149 Ca 0.25 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.61 3fi0 h GLN 149 Cb 0.38 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.86 3fi0 h GLN 149 CO -0.49 0.53 0.39 0.45 -1.93 0.00 0.00 178.83 177.78 3fi0 h HIS 150 N 0.82 0.92 0.12 3.99 3.86 -0.91 -2.31 115.15 121.65 3fi0 h HIS 150 Ca 0.38 -0.01 -0.28 0.00 -1.16 0.00 0.00 60.37 59.29 3fi0 h HIS 150 Cb 0.29 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.46 3fi0 h HIS 150 CO -0.06 0.63 -1.33 0.82 0.86 0.00 0.00 177.93 178.85 3fi0 h ILE 151 N 0.95 1.39 -0.08 2.45 1.08 -0.37 -3.13 117.51 119.82 3fi0 h ILE 151 Ca 0.25 -2.99 0.04 0.00 -0.39 0.00 0.00 64.86 61.77 3fi0 h ILE 151 Cb 0.00 2.89 -0.06 0.00 -3.07 0.00 0.00 36.82 36.58 3fi0 h ILE 151 CO -0.04 0.87 -0.38 -0.33 -0.69 0.00 0.00 178.15 177.57 3fi0 h GLU 152 N 0.07 -0.47 -0.90 2.37 4.39 -0.37 0.11 114.58 119.77 3fi0 h GLU 152 Ca -0.17 0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.60 3fi0 h GLU 152 Cb 1.98 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 30.69 3fi0 h GLU 152 CO 0.19 -0.32 0.59 1.25 -1.16 0.00 0.00 179.01 179.56 3fi0 h LEU 153 N -0.49 0.97 -1.08 1.33 5.85 -1.54 0.13 115.31 120.49 3fi0 h LEU 153 Ca 0.07 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3fi0 h LEU 153 Cb 0.61 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 3fi0 h LEU 153 CO -0.35 0.67 -0.14 0.71 -0.34 0.00 0.00 178.44 178.99 3fi0 h THR 154 N 1.14 0.34 0.10 1.05 1.35 -1.35 0.48 112.91 116.01 3fi0 h THR 154 Ca 0.36 -0.96 -0.26 0.00 -0.55 0.00 0.00 66.41 65.00 3fi0 h THR 154 Cb 0.01 1.73 -0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3fi0 h THR 154 CO -0.12 0.14 -1.18 0.03 -0.25 0.00 0.00 175.52 174.14 3fi0 h ARG 155 N 0.00 0.25 -0.19 4.72 3.08 0.02 -2.07 114.38 120.19 3fi0 h ARG 155 Ca -0.00 -0.40 -0.12 0.00 0.07 0.00 0.00 59.98 59.53 3fi0 h ARG 155 Cb 0.72 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3fi0 h ARG 155 CO 0.02 1.18 -0.34 -0.44 -1.07 0.00 0.00 179.97 179.32 3fi0 h ASP 156 N 0.08 0.62 -0.25 7.04 3.32 -0.07 -1.65 116.42 125.51 3fi0 h ASP 156 Ca -0.11 -0.54 -0.01 0.00 0.02 0.00 0.00 57.03 56.39 3fi0 h ASP 156 Cb 1.90 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 41.27 3fi0 h ASP 156 CO 0.19 1.04 0.11 -0.07 -1.72 0.00 0.00 179.24 178.79 3fi0 h LEU 157 N 0.22 0.34 -0.77 1.55 3.38 -0.13 0.59 115.31 120.48 3fi0 h LEU 157 Ca 0.01 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3fi0 h LEU 157 Cb 0.93 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 3fi0 h LEU 157 CO 0.08 0.39 0.35 0.00 0.09 0.00 0.00 178.44 179.35 3fi0 h ALA 158 N 0.95 1.00 0.09 1.53 0.00 -1.41 -1.36 119.26 120.07 3fi0 h ALA 158 Ca 0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3fi0 h ALA 158 Cb 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3fi0 h ALA 158 CO -0.01 0.58 -0.04 1.49 0.00 0.00 0.00 179.25 181.27 3fi0 h GLU 159 N 1.10 -0.12 -0.81 0.00 4.57 -1.07 -1.67 114.58 116.58 3fi0 h GLU 159 Ca 0.26 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.50 3fi0 h GLU 159 Cb 0.15 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.72 3fi0 h GLU 159 CO -0.03 0.10 0.53 -0.09 -1.18 0.00 0.00 179.01 178.34 3fi0 h ARG 160 N -0.32 0.90 -0.21 1.92 2.43 -0.75 -1.97 114.38 116.39 3fi0 h ARG 160 Ca -0.01 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 58.90 3fi0 h ARG 160 Cb 0.27 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3fi0 h ARG 160 CO 0.02 0.60 -0.67 0.35 -1.51 0.00 0.00 179.97 178.76 3fi0 h PHE 161 N 0.93 1.07 -0.32 2.20 3.57 -1.14 -3.15 116.94 120.10 3fi0 h PHE 161 Ca 0.34 -0.43 -0.06 0.00 3.53 0.00 0.00 57.97 61.35 3fi0 h PHE 161 Cb 0.16 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 3fi0 h PHE 161 CO -0.00 1.27 -0.04 -0.91 -2.23 0.00 0.00 178.31 176.39 3fi0 h ASN 162 N 0.57 0.48 -0.26 0.41 2.35 -0.84 -1.57 115.58 116.72 3fi0 h ASN 162 Ca -0.03 -0.10 -0.19 0.00 -0.55 0.00 0.00 56.30 55.43 3fi0 h ASN 162 Cb 1.29 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.54 3fi0 h ASN 162 CO 0.14 0.58 -0.58 0.11 -1.65 0.00 0.00 177.43 176.03 3fi0 h LYS 163 N 0.48 0.86 0.07 0.81 1.57 -1.39 0.18 116.57 119.15 3fi0 h LYS 163 Ca 0.10 -0.57 -0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3fi0 h LYS 163 Cb 0.38 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3fi0 h LYS 163 CO 0.02 1.20 -0.03 -0.09 -0.57 0.00 0.00 179.45 179.97 3fi0 h ARG 164 N 0.65 -0.08 0.00 3.15 2.43 -1.49 -3.40 114.38 115.64 3fi0 h ARG 164 Ca 0.01 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 3fi0 h ARG 164 Cb 1.19 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3fi0 h ARG 164 CO 0.13 0.47 -1.82 0.66 -1.51 0.00 0.00 179.97 177.90 3fi0 n TYR 165 N -4.84 0.00 0.00 2.20 4.01 -0.60 -5.08 117.16 112.85 3fi0 n TYR 165 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 3fi0 n TYR 165 Cb 0.30 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 38.90 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 1.53 2.91 3.58 2.72 0.00 0.64 -4.99 105.19 111.59 3fi0 n GLY 166 Ca -0.05 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 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 -3.67 2.89 0.00 1.61 2.12 -1.23 -4.55 118.70 115.88 3fi0 s GLU 167 Ca 0.00 1.50 0.00 0.00 0.36 0.00 0.00 54.97 56.83 3fi0 s GLU 167 Cb 0.00 -4.37 0.00 0.00 0.26 0.00 0.00 34.13 30.02 3fi0 s GLU 167 CO 0.00 -2.39 0.00 -0.11 -0.54 0.00 0.00 175.26 172.22 3fi0 n LEU 168 N 12.37 1.04 -4.97 2.70 7.94 -1.26 -5.07 117.00 129.75 3fi0 n LEU 168 Ca 0.28 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.96 3fi0 n LEU 168 Cb 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.44 3fi0 n LEU 168 CO 0.69 0.17 0.19 -0.36 -1.11 0.00 0.00 177.39 176.97 3fi0 s PHE 169 N -1.66 3.21 -0.14 1.96 0.08 -1.26 -4.99 117.98 115.17 3fi0 s PHE 169 Ca 0.00 0.07 -0.04 0.00 0.12 0.00 0.00 56.93 57.09 3fi0 s PHE 169 Cb 0.00 -2.16 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 3fi0 s PHE 169 CO 0.00 -0.19 -0.00 0.99 -0.10 0.00 0.00 175.22 175.91 3fi0 s THR 170 N -2.39 4.22 -0.53 0.64 2.01 -1.26 -5.05 115.64 113.27 3fi0 s THR 170 Ca 0.46 -0.25 -0.28 0.00 0.31 0.00 0.00 61.69 61.93 3fi0 s THR 170 Cb -0.10 -2.83 0.02 0.00 0.01 0.00 0.00 72.50 69.60 3fi0 s THR 170 CO 0.35 0.52 1.34 -0.63 -0.69 0.00 0.00 174.62 175.52 3fi0 s ILE 171 N -0.04 3.89 0.96 1.82 -1.09 -1.26 -4.82 121.20 120.66 3fi0 s ILE 171 Ca 0.03 0.82 -0.12 0.00 -2.23 0.00 0.00 60.65 59.14 3fi0 s ILE 171 Cb -0.13 -4.47 0.16 0.00 -1.58 0.00 0.00 42.46 36.45 3fi0 s ILE 171 CO 0.02 -1.11 1.10 -2.16 -1.23 0.00 0.00 174.94 171.56 3fi0 s PRO 172 N 5.19 0.77 -0.11 2.79 0.04 -1.26 -4.91 135.00 137.52 3fi0 s PRO 172 Ca 0.52 0.52 -0.05 0.00 0.04 0.00 0.00 61.00 62.02 3fi0 s PRO 172 Cb -0.10 -1.78 0.05 0.00 0.04 0.00 0.00 34.50 32.71 3fi0 s PRO 172 CO 0.27 -2.50 0.25 -2.00 0.04 0.00 0.00 177.00 173.06 3fi0 s GLU 173 N -5.03 0.19 -0.22 4.56 2.12 -0.92 -4.93 118.70 114.46 3fi0 s GLU 173 Ca 0.64 0.57 -0.29 0.00 0.36 0.00 0.00 54.97 56.26 3fi0 s GLU 173 Cb -0.17 -0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.07 3fi0 s GLU 173 CO 0.56 -0.19 1.89 0.00 -0.54 0.00 0.00 175.26 176.99 3fi0 s ALA 174 N 1.49 3.03 -0.26 6.30 0.00 -1.26 -2.13 121.76 128.94 3fi0 s ALA 174 Ca -0.07 0.60 -0.20 0.00 0.00 0.00 0.00 51.96 52.29 3fi0 s ALA 174 Cb -0.11 -3.97 0.07 0.00 0.00 0.00 0.00 23.12 19.12 3fi0 s ALA 174 CO -0.09 -2.36 0.66 -0.98 0.00 0.00 0.00 175.76 173.00 3fi0 s ARG 175 N 5.44 0.74 -0.49 0.00 1.70 -0.17 -4.92 118.95 121.26 3fi0 s ARG 175 Ca 0.85 1.02 -0.15 0.00 -0.47 0.00 0.00 55.73 56.97 3fi0 s ARG 175 Cb -0.29 0.29 0.09 0.00 -0.57 0.00 0.00 34.95 34.47 3fi0 s ARG 175 CO 0.34 -0.11 0.42 0.42 -1.08 0.00 0.00 175.30 175.28 3fi0 s ILE 176 N 0.80 5.21 0.15 4.99 1.01 -1.26 -3.12 121.20 128.99 3fi0 s ILE 176 Ca -0.04 -1.16 -0.32 0.00 0.00 0.00 0.00 60.65 59.13 3fi0 s ILE 176 Cb -0.05 -4.16 -0.12 0.00 0.01 0.00 0.00 42.46 38.14 3fi0 s ILE 176 CO -0.06 -0.64 1.76 -2.65 0.00 0.00 0.00 174.94 173.35 3fi0 n PRO 177 N 5.21 2.66 -3.77 2.79 -0.02 -1.26 -1.54 135.00 139.07 3fi0 n PRO 177 Ca -0.13 0.96 -0.34 0.00 -2.02 0.00 0.00 63.50 61.98 3fi0 n PRO 177 Cb 0.43 -2.82 0.03 0.00 -0.02 0.00 0.00 33.50 31.12 3fi0 n PRO 177 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3fi0 n LYS 178 N 4.71 -0.98 -1.60 -0.52 4.76 -1.26 -4.89 118.16 118.39 3fi0 n LYS 178 Ca 0.17 0.43 -0.57 0.00 -2.87 0.00 0.00 58.31 55.47 3fi0 n LYS 178 Cb 0.35 -3.56 -0.07 0.00 -1.84 0.00 0.00 35.03 29.90 3fi0 n LYS 178 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3fi0 n VAL 179 N -4.14 0.05 -0.83 -0.18 0.31 -0.59 -4.93 118.33 108.02 3fi0 n VAL 179 Ca -0.12 -0.01 -0.29 0.00 -0.01 0.00 0.00 64.34 63.92 3fi0 n VAL 179 Cb 0.59 -0.59 0.23 0.00 -0.91 0.00 0.00 33.84 33.16 3fi0 n VAL 179 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3fi0 s GLY 180 N 1.15 1.54 0.17 2.92 0.00 -1.18 -4.98 107.32 106.93 3fi0 s GLY 180 Ca 0.91 -0.36 -0.32 0.00 0.00 0.00 0.00 44.72 44.96 3fi0 s GLY 180 CO 0.58 0.36 1.57 0.00 0.00 0.00 0.00 173.10 175.61 3fi0 s ALA 181 N -2.70 3.78 0.05 3.20 0.00 -1.26 -4.90 121.76 119.94 3fi0 s ALA 181 Ca 0.67 1.38 -0.30 0.00 0.00 0.00 0.00 51.96 53.71 3fi0 s ALA 181 Cb -0.21 -3.62 -0.10 0.00 0.00 0.00 0.00 23.12 19.19 3fi0 s ALA 181 CO 0.61 -0.79 1.94 -2.13 0.00 0.00 0.00 175.76 175.39 3fi0 n ARG 182 N 3.93 2.83 -3.46 0.00 0.63 -1.26 -4.76 116.66 114.58 3fi0 n ARG 182 Ca 0.14 1.04 -0.23 0.00 -0.92 0.00 0.00 57.85 57.88 3fi0 n ARG 182 Cb 0.38 -2.98 -0.01 0.00 0.45 0.00 0.00 32.46 30.31 3fi0 n ARG 182 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3fi0 s ILE 183 N 4.03 4.95 -0.14 5.15 -1.09 -1.26 -4.95 121.20 127.89 3fi0 s ILE 183 Ca 0.87 -0.60 -0.05 0.00 -2.23 0.00 0.00 60.65 58.64 3fi0 s ILE 183 Cb -0.45 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 36.60 3fi0 s ILE 183 CO 0.41 -0.47 0.02 -0.55 -1.23 0.00 0.00 174.94 173.13 3fi0 s SER 185 N -4.05 5.30 0.23 3.58 0.15 1.01 -4.62 113.70 115.30 3fi0 s SER 185 Ca 0.40 0.05 -0.02 0.00 0.70 0.00 0.00 55.95 57.08 3fi0 s SER 185 Cb -0.09 -1.78 0.25 0.00 -1.71 0.00 0.00 66.02 62.69 3fi0 s SER 185 CO 0.35 0.24 1.64 -0.07 1.20 0.00 0.00 173.24 176.60 3fi0 h LEU 186 N 6.19 0.66 -0.70 3.45 3.38 -1.77 -0.20 115.31 126.31 3fi0 h LEU 186 Ca -0.40 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.23 3fi0 h LEU 186 Cb 1.18 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3fi0 h LEU 186 CO 0.63 0.91 -0.46 -0.37 0.09 0.00 0.00 178.44 179.24 3fi0 h VAL 187 N 0.55 0.98 -1.56 1.22 -1.51 -1.86 -3.41 116.25 110.66 3fi0 h VAL 187 Ca 0.07 -1.81 -0.14 0.00 -1.23 0.00 0.00 66.70 63.59 3fi0 h VAL 187 Cb 0.77 2.09 -0.27 0.00 -2.13 0.00 0.00 31.29 31.75 3fi0 h VAL 187 CO 0.06 0.45 -0.49 -0.62 -1.23 0.00 0.00 177.57 175.74 3fi0 s ASP 188 N -6.50 -0.06 0.00 4.19 2.15 -1.03 -5.03 116.67 110.40 3fi0 s ASP 188 Ca 0.01 -0.19 0.14 0.00 0.43 0.00 0.00 52.55 52.93 3fi0 s ASP 188 Cb 0.10 1.31 0.83 0.00 -0.30 0.00 0.00 42.92 44.87 3fi0 s ASP 188 CO 0.71 -0.34 1.30 -2.65 -0.17 0.00 0.00 175.17 174.02 3fi0 n PRO 189 N 5.37 0.64 0.00 4.34 -0.02 -0.12 -1.81 135.00 143.41 3fi0 n PRO 189 Ca 0.01 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.63 3fi0 n PRO 189 Cb 0.50 -1.34 0.62 0.00 -0.02 0.00 0.00 33.50 33.27 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 -0.84 0.00 -4.18 3.45 -2.24 -1.26 -4.67 114.28 104.54 3fi0 n THR 190 Ca 0.10 -0.10 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 3fi0 n THR 190 Cb 0.05 0.03 -0.12 0.00 -2.10 0.00 0.00 70.33 68.20 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 -2.28 0.84 0.00 -0.78 2.20 -0.75 -5.01 119.74 113.95 3fi0 s LYS 191 Ca 0.34 -1.02 0.00 0.00 -0.36 0.00 0.00 55.97 54.93 3fi0 s LYS 191 Cb 0.21 -0.77 0.00 0.00 -1.51 0.00 0.00 37.83 35.76 3fi0 s LYS 191 CO 0.43 0.16 0.00 1.17 -0.36 0.00 0.00 175.35 176.75 3fi0 n LYS 192 N 1.07 3.84 0.00 4.03 4.81 -1.26 0.33 118.16 130.98 3fi0 n LYS 192 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.24 3fi0 n LYS 192 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 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 -1.40 3.14 2.88 -1.26 -4.12 113.62 112.86 3fi0 n SER 194 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 3fi0 n SER 194 Cb 0.00 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 63.79 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 -1.33 3.03 -0.24 -1.46 2.85 -1.26 -4.09 118.16 115.67 3fi0 n LYS 195 Ca 0.00 -2.71 0.03 0.00 -1.05 0.00 0.00 58.31 54.58 3fi0 n LYS 195 Cb 0.00 -1.65 0.04 0.00 -0.65 0.00 0.00 35.03 32.77 3fi0 n LYS 195 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3fi0 n SER 196 N 1.45 0.92 -4.77 -5.58 3.41 -1.26 -5.06 113.62 102.72 3fi0 n SER 196 Ca 0.24 -2.17 -0.37 0.00 -0.26 0.00 0.00 58.87 56.32 3fi0 n SER 196 Cb 0.70 -0.21 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 3fi0 n SER 196 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fi0 s ASP 197 N -1.40 6.49 0.18 4.04 -1.08 -1.26 -4.97 116.67 118.67 3fi0 s ASP 197 Ca 0.10 2.24 -0.06 0.00 -0.52 0.00 0.00 52.55 54.31 3fi0 s ASP 197 Cb 0.08 -2.60 0.07 0.00 -1.46 0.00 0.00 42.92 39.01 3fi0 s ASP 197 CO 0.01 -0.69 1.50 -0.65 0.52 0.00 0.00 175.17 175.86 3fi0 h PRO 198 N 2.43 0.68 -6.53 4.34 0.11 -1.97 -3.36 132.00 127.71 3fi0 h PRO 198 Ca -0.49 -0.40 -0.56 0.00 0.11 0.00 0.00 66.00 64.66 3fi0 h PRO 198 Cb 1.23 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 3fi0 h PRO 198 CO 0.62 1.02 1.07 1.21 -0.21 0.00 0.00 178.00 181.70 3fi0 s ASN 199 N -6.90 6.32 0.00 -2.05 3.84 -1.26 -4.89 114.94 109.99 3fi0 s ASN 199 Ca -0.09 0.73 0.10 0.00 0.21 0.00 0.00 52.86 53.82 3fi0 s ASN 199 Cb 0.11 -2.54 0.57 0.00 -0.55 0.00 0.00 41.25 38.85 3fi0 s ASN 199 CO 0.85 -1.47 1.13 -2.65 -2.79 0.00 0.00 177.10 172.18 3fi0 n PRO 200 N 8.15 0.24 0.00 0.43 -0.02 -1.26 0.69 135.00 143.24 3fi0 n PRO 200 Ca 0.16 0.09 0.12 0.00 -2.02 0.00 0.00 63.50 61.84 3fi0 n PRO 200 Cb 0.48 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.67 3fi0 n PRO 200 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3fi0 n LYS 201 N -1.13 0.28 0.24 -0.52 5.02 -1.26 -3.98 118.16 116.82 3fi0 n LYS 201 Ca 0.06 -0.18 0.10 0.00 -2.02 0.00 0.00 58.31 56.27 3fi0 n LYS 201 Cb 0.06 -1.50 0.54 0.00 -0.02 0.00 0.00 35.03 34.11 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 3.22 1.29 -2.70 7.82 0.00 -0.09 -3.40 119.26 125.40 3fi0 h ALA 202 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3fi0 h ALA 202 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.19 3fi0 h ALA 202 CO 0.00 -0.29 -0.22 1.52 0.00 0.00 0.00 179.25 180.26 3fi0 s TYR 203 N -3.68 0.23 -0.09 0.00 -0.85 -1.26 -3.62 117.35 108.09 3fi0 s TYR 203 Ca -0.02 -0.59 0.00 0.00 -0.52 0.00 0.00 57.07 55.94 3fi0 s TYR 203 Cb 0.06 0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.44 3fi0 s TYR 203 CO 0.18 -0.76 -0.07 0.42 -1.52 0.00 0.00 175.55 173.79 3fi0 s ILE 204 N -3.93 3.66 0.12 -3.49 1.01 -1.26 -4.98 121.20 112.32 3fi0 s ILE 204 Ca 0.14 -0.48 -0.07 0.00 0.00 0.00 0.00 60.65 60.23 3fi0 s ILE 204 Cb 0.02 -2.51 -0.06 0.00 0.01 0.00 0.00 42.46 39.92 3fi0 s ILE 204 CO -0.02 0.58 0.40 -0.89 0.00 0.00 0.00 174.94 175.00 3fi0 s THR 205 N -0.53 5.12 0.58 2.92 2.01 -1.26 -4.76 115.64 119.72 3fi0 s THR 205 Ca 0.08 0.25 0.28 0.00 0.31 0.00 0.00 61.69 62.60 3fi0 s THR 205 Cb -0.12 -3.63 0.36 0.00 0.01 0.00 0.00 72.50 69.12 3fi0 s THR 205 CO 0.02 0.15 2.09 -0.07 -0.69 0.00 0.00 174.62 176.12 3fi0 h LEU 206 N 3.22 0.00 -3.57 4.42 3.38 -2.02 0.22 115.31 120.96 3fi0 h LEU 206 Ca -0.47 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 3fi0 h LEU 206 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 3fi0 h LEU 206 CO 0.69 0.00 0.05 0.18 0.09 0.00 0.00 178.44 179.45 3fi0 n LEU 207 N -3.88 5.78 -4.82 1.67 4.77 -1.26 -4.74 117.00 114.52 3fi0 n LEU 207 Ca 0.02 -2.95 -0.32 0.00 -0.03 0.00 0.00 56.01 52.73 3fi0 n LEU 207 Cb 0.34 -0.70 -0.01 0.00 -2.33 0.00 0.00 43.42 40.72 3fi0 n LEU 207 CO 0.29 0.65 0.70 -1.81 -1.33 0.00 0.00 177.39 175.89 3fi0 s ASP 208 N -0.80 6.15 0.57 -1.43 1.01 0.77 -5.05 116.67 117.88 3fi0 s ASP 208 Ca 0.54 1.71 0.03 0.00 0.71 0.00 0.00 52.55 55.54 3fi0 s ASP 208 Cb 0.42 -2.52 0.06 0.00 1.01 0.00 0.00 42.92 41.88 3fi0 s ASP 208 CO 0.15 -0.92 0.79 1.51 0.21 0.00 0.00 175.17 176.92 3fi0 s ASP 209 N -2.93 5.12 0.22 0.27 1.47 -1.26 -4.91 116.67 114.64 3fi0 s ASP 209 Ca 0.61 -0.26 -0.10 0.00 1.18 0.00 0.00 52.55 53.99 3fi0 s ASP 209 Cb -0.13 -0.51 0.31 0.00 -0.34 0.00 0.00 42.92 42.25 3fi0 s ASP 209 CO 0.35 -1.26 1.67 0.00 0.68 0.00 0.00 175.17 176.60 3fi0 h ALA 210 N 0.05 0.64 -0.19 2.11 0.00 -1.96 -2.04 119.26 117.87 3fi0 h ALA 210 Ca -0.39 0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3fi0 h ALA 210 Cb 1.29 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 3fi0 h ALA 210 CO 0.47 -0.39 -0.24 0.87 0.00 0.00 0.00 179.25 179.96 3fi0 h LYS 211 N 0.14 0.50 0.07 0.00 6.56 -1.99 -2.61 116.57 119.23 3fi0 h LYS 211 Ca 0.33 -0.28 0.01 0.00 -1.06 0.00 0.00 60.65 59.66 3fi0 h LYS 211 Cb 0.54 0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.20 3fi0 h LYS 211 CO -0.52 0.87 -0.15 1.15 -2.06 0.00 0.00 179.45 178.74 3fi0 h THR 212 N 0.15 0.65 -0.16 -0.16 2.02 -1.92 0.19 112.91 113.70 3fi0 h THR 212 Ca 0.02 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.23 3fi0 h THR 212 Cb 0.80 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 3fi0 h THR 212 CO 0.06 0.00 -0.32 0.40 0.37 0.00 0.00 175.52 176.03 3fi0 h ILE 213 N -0.28 0.00 -0.51 3.11 2.04 -1.45 0.36 117.51 120.78 3fi0 h ILE 213 Ca 0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.94 3fi0 h ILE 213 Cb 0.31 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.33 3fi0 h ILE 213 CO -0.10 0.00 -0.31 -0.33 0.00 0.00 0.00 178.15 177.42 3fi0 h GLU 214 N -0.28 -0.01 0.29 2.37 5.08 -1.17 0.70 114.58 121.56 3fi0 h GLU 214 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3fi0 h GLU 214 Cb 0.37 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3fi0 h GLU 214 CO -0.30 -0.00 -0.33 -0.22 -1.00 0.00 0.00 179.01 177.15 3fi0 h LYS 215 N -0.01 -0.64 -0.72 2.33 3.11 -0.71 0.38 116.57 120.31 3fi0 h LYS 215 Ca 0.08 0.04 0.09 0.00 -2.81 0.00 0.00 60.65 58.06 3fi0 h LYS 215 Cb 0.22 0.15 -0.11 0.00 -1.00 0.00 0.00 32.23 31.48 3fi0 h LYS 215 CO -0.48 -0.43 -0.49 0.87 -2.81 0.00 0.00 179.45 176.11 3fi0 h LYS 216 N -0.67 -0.16 -0.94 1.90 1.57 0.46 0.33 116.57 119.07 3fi0 h LYS 216 Ca -0.01 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3fi0 h LYS 216 Cb 0.62 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.92 3fi0 h LYS 216 CO -0.09 -0.11 0.62 0.82 -0.57 0.00 0.00 179.45 180.13 3fi0 h ILE 217 N -0.16 1.25 -0.60 1.86 2.04 0.79 -2.14 117.51 120.54 3fi0 h ILE 217 Ca 0.18 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3fi0 h ILE 217 Cb 0.54 -0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 3fi0 h ILE 217 CO -0.78 0.24 0.39 0.50 0.00 0.00 0.00 178.15 178.50 3fi0 h LYS 218 N 1.28 0.80 -6.20 2.37 3.64 0.17 -3.50 116.57 115.13 3fi0 h LYS 218 Ca 0.35 -0.05 -0.53 0.00 -1.27 0.00 0.00 60.65 59.14 3fi0 h LYS 218 Cb -0.14 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.46 3fi0 h LYS 218 CO -0.07 0.54 1.25 -1.12 -2.27 0.00 0.00 179.45 177.77 3fi0 s SER 219 N -5.76 5.72 -0.00 4.20 0.01 0.99 -5.08 113.70 113.77 3fi0 s SER 219 Ca -0.13 0.55 0.02 0.00 1.31 0.00 0.00 55.95 57.70 3fi0 s SER 219 Cb 0.13 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 3fi0 s SER 219 CO 0.76 -1.98 0.09 -1.20 0.41 0.00 0.00 173.24 171.31 3fi0 n SER 224 N 11.04 1.28 0.01 2.44 7.64 -1.26 -4.95 113.62 129.82 3fi0 n SER 224 Ca 0.18 -0.41 0.11 0.00 1.01 0.00 0.00 58.87 59.76 3fi0 n SER 224 Cb 0.50 1.03 -0.03 0.00 -1.01 0.00 0.00 64.21 64.70 3fi0 n SER 224 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3fi0 n GLU 225 N -1.20 0.22 -3.24 1.43 2.13 -1.26 -5.00 120.64 113.72 3fi0 n GLU 225 Ca 0.00 -0.03 -0.10 0.00 0.66 0.00 0.00 57.16 57.69 3fi0 n GLU 225 Cb 0.04 -1.54 0.03 0.00 0.27 0.00 0.00 31.44 30.24 3fi0 n GLU 225 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3fi0 n GLY 226 N 1.41 -1.20 2.90 8.31 0.00 -1.26 -5.03 105.19 110.33 3fi0 n GLY 226 Ca 0.02 0.52 -0.12 0.00 0.00 0.00 0.00 46.02 46.44 3fi0 n GLY 226 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fi0 s THR 227 N -3.18 0.06 -0.49 2.61 2.01 -1.26 -5.12 115.64 110.26 3fi0 s THR 227 Ca 0.21 -0.20 -0.20 0.00 0.31 0.00 0.00 61.69 61.82 3fi0 s THR 227 Cb -0.04 -0.09 0.05 0.00 0.01 0.00 0.00 72.50 72.43 3fi0 s THR 227 CO 0.77 -0.09 0.64 -0.63 -0.69 0.00 0.00 174.62 174.62 3fi0 s ILE 228 N -0.29 4.85 0.12 1.82 1.01 -1.26 -4.98 121.20 122.46 3fi0 s ILE 228 Ca -0.03 -0.32 -0.26 0.00 0.00 0.00 0.00 60.65 60.04 3fi0 s ILE 228 Cb -0.02 -4.28 0.08 0.00 0.01 0.00 0.00 42.46 38.24 3fi0 s ILE 228 CO -0.00 -0.76 1.03 -0.13 0.00 0.00 0.00 174.94 175.07 3fi0 s ARG 229 N 2.72 1.03 -0.33 2.79 0.52 -1.26 -4.90 118.95 119.52 3fi0 s ARG 229 Ca 0.17 -0.57 0.04 0.00 -0.52 0.00 0.00 55.73 54.85 3fi0 s ARG 229 Cb -0.18 0.35 0.09 0.00 0.52 0.00 0.00 34.95 35.74 3fi0 s ARG 229 CO 0.14 -0.47 0.03 -0.47 0.02 0.00 0.00 175.30 174.54 3fi0 s TYR 230 N -3.10 3.63 0.01 -0.53 5.04 -1.26 -4.17 117.35 116.97 3fi0 s TYR 230 Ca 0.13 -2.87 0.00 0.00 -2.44 0.00 0.00 57.07 51.89 3fi0 s TYR 230 Cb -0.00 -2.75 0.00 0.00 0.35 0.00 0.00 41.96 39.56 3fi0 s TYR 230 CO 0.01 -0.94 0.00 -3.47 -1.34 0.00 0.00 175.55 169.81 3fi0 n ASP 231 N 4.30 0.07 0.00 4.32 -0.08 -1.26 -5.04 116.55 118.86 3fi0 n ASP 231 Ca 0.01 0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 3fi0 n ASP 231 Cb 0.42 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.87 3fi0 n ASP 231 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3fi0 n GLY 237 N 2.72 0.00 0.09 0.27 0.00 -1.26 -4.85 105.19 102.17 3fi0 n GLY 237 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3fi0 n GLY 237 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fi0 n ILE 238 N 0.00 1.12 -0.38 -0.61 2.08 -1.26 -4.57 119.36 115.74 3fi0 n ILE 238 Ca 0.00 -0.49 -0.10 0.00 0.56 0.00 0.00 62.75 62.72 3fi0 n ILE 238 Cb 0.00 -1.05 -0.09 0.00 -0.75 0.00 0.00 39.64 37.75 3fi0 n ILE 238 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 3fi0 n SER 239 N -2.95 -0.95 -0.32 4.38 7.64 -1.26 0.25 113.62 120.42 3fi0 n SER 239 Ca -0.33 1.62 0.02 0.00 1.01 0.00 0.00 58.87 61.19 3fi0 n SER 239 Cb 0.91 -0.22 0.07 0.00 -1.01 0.00 0.00 64.21 63.96 3fi0 n SER 239 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3fi0 n ASN 240 N -5.09 -0.45 0.03 6.43 5.15 -1.26 0.14 115.26 120.21 3fi0 n ASN 240 Ca 0.02 1.46 -0.12 0.00 -0.60 0.00 0.00 54.58 55.34 3fi0 n ASN 240 Cb 0.23 -0.38 -0.09 0.00 -0.53 0.00 0.00 39.78 39.01 3fi0 n ASN 240 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3fi0 h LEU 241 N 0.00 -0.11 -0.91 1.20 -0.00 0.32 0.68 115.31 116.50 3fi0 h LEU 241 Ca 0.34 -0.44 0.13 0.00 -0.00 0.00 0.00 57.88 57.91 3fi0 h LEU 241 Cb 0.55 0.03 -0.14 0.00 -0.00 0.00 0.00 40.66 41.10 3fi0 h LEU 241 CO -0.85 0.43 -0.38 0.18 -0.00 0.00 0.00 178.44 177.82 3fi0 n LEU 242 N -4.89 -0.64 -0.32 1.67 4.77 -0.12 0.24 117.00 117.71 3fi0 n LEU 242 Ca -0.08 1.59 0.19 0.00 -0.03 0.00 0.00 56.01 57.67 3fi0 n LEU 242 Cb 0.27 -0.34 0.44 0.00 -2.33 0.00 0.00 43.42 41.46 3fi0 n LEU 242 CO 0.30 -1.41 1.21 0.78 -1.33 0.00 0.00 177.39 176.94 3fi0 h ASN 243 N 0.00 0.56 0.07 -1.43 2.35 0.28 -1.94 115.58 115.48 3fi0 h ASN 243 Ca 0.29 0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 56.12 3fi0 h ASN 243 Cb 0.52 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.88 3fi0 h ASN 243 CO -0.90 0.16 -0.03 0.40 -1.65 0.00 0.00 177.43 175.41 3fi0 h ILE 244 N 0.53 0.05 -0.75 2.81 2.04 0.48 -3.29 117.51 119.38 3fi0 h ILE 244 Ca 0.57 -0.96 0.16 0.00 1.00 0.00 0.00 64.86 65.62 3fi0 h ILE 244 Cb 1.23 0.09 -0.11 0.00 -0.74 0.00 0.00 36.82 37.29 3fi0 h ILE 244 CO -0.32 0.02 0.22 0.22 0.00 0.00 0.00 178.15 178.29 3fi0 h TYR 245 N -1.02 0.36 0.27 1.37 5.03 -0.29 -2.28 116.97 120.41 3fi0 h TYR 245 Ca -0.01 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 3fi0 h TYR 245 Cb 0.10 -0.04 0.00 0.00 1.55 0.00 0.00 36.73 38.33 3fi0 h TYR 245 CO 0.01 -0.04 -0.13 1.03 -1.32 0.00 0.00 178.16 177.70 3fi0 h SER 246 N 0.32 -0.31 -0.17 -2.11 0.87 -1.48 0.79 113.55 111.47 3fi0 h SER 246 Ca 0.42 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 61.00 3fi0 h SER 246 Cb 0.71 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 3fi0 h SER 246 CO -0.48 -0.15 0.08 0.00 -0.53 0.00 0.00 176.83 175.75 3fi0 h THR 247 N -0.51 0.99 -0.13 2.23 1.03 -1.64 0.28 112.91 115.17 3fi0 h THR 247 Ca -0.04 -0.06 0.04 0.00 -0.01 0.00 0.00 66.41 66.34 3fi0 h THR 247 Cb 0.28 0.81 -0.01 0.00 -1.07 0.00 0.00 68.15 68.16 3fi0 h THR 247 CO 0.06 0.03 0.23 0.25 -0.01 0.00 0.00 175.52 176.08 3fi0 h LEU 248 N 0.17 0.00 0.00 0.00 7.12 -1.46 -2.61 115.31 118.53 3fi0 h LEU 248 Ca 0.07 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.08 3fi0 h LEU 248 Cb 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.15 3fi0 h LEU 248 CO -0.05 0.00 -1.03 -1.54 -0.13 0.00 0.00 178.44 175.68 3fi0 n SER 249 N -3.41 1.05 -1.73 1.25 3.41 0.27 -4.96 113.62 109.49 3fi0 n SER 249 Ca 0.00 -0.52 -0.06 0.00 -0.26 0.00 0.00 58.87 58.03 3fi0 n SER 249 Cb 0.33 1.25 0.03 0.00 -0.26 0.00 0.00 64.21 65.56 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 1.46 0.26 3.13 5.00 0.00 0.79 -5.03 105.19 110.79 3fi0 n GLY 250 Ca 0.01 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.76 0.71 0.67 1.61 -0.21 -0.37 -5.03 119.66 112.28 3fi0 s GLN 251 Ca 0.06 -1.12 -0.17 0.00 0.02 0.00 0.00 55.36 54.15 3fi0 s GLN 251 Cb -0.03 -0.21 0.00 0.00 1.00 0.00 0.00 33.01 33.78 3fi0 s GLN 251 CO 0.25 -0.00 1.27 -1.54 -2.12 0.00 0.00 175.29 173.14 3fi0 s SER 252 N -2.51 4.48 0.00 5.90 1.04 -1.26 -4.33 113.70 117.01 3fi0 s SER 252 Ca 0.04 2.54 0.28 0.00 0.48 0.00 0.00 55.95 59.29 3fi0 s SER 252 Cb -0.00 -2.61 1.07 0.00 0.10 0.00 0.00 66.02 64.58 3fi0 s SER 252 CO -0.03 -2.09 1.75 0.00 0.98 0.00 0.00 173.24 173.86 3fi0 n ILE 253 N -2.15 0.00 -0.02 -1.02 3.06 -1.26 -2.56 119.36 115.41 3fi0 n ILE 253 Ca 0.15 -0.17 -0.17 0.00 -2.50 0.00 0.00 62.75 60.06 3fi0 n ILE 253 Cb 0.49 0.32 -0.14 0.00 0.54 0.00 0.00 39.64 40.85 3fi0 n ILE 253 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 3fi0 h GLU 254 N 1.64 0.13 -0.37 9.51 4.39 -1.97 0.74 114.58 128.64 3fi0 h GLU 254 Ca 0.00 -0.22 0.11 0.00 0.34 0.00 0.00 59.36 59.59 3fi0 h GLU 254 Cb 0.44 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 3fi0 h GLU 254 CO 0.00 1.11 0.43 0.93 -1.16 0.00 0.00 179.01 180.32 3fi0 h GLU 255 N -0.72 0.00 0.00 2.33 5.08 -1.95 -3.10 114.58 116.22 3fi0 h GLU 255 Ca -0.09 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.93 3fi0 h GLU 255 Cb 1.31 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.50 3fi0 h GLU 255 CO 0.05 0.00 -2.28 -0.11 -1.00 0.00 0.00 179.01 175.67 3fi0 n LEU 256 N -3.66 2.97 -0.35 1.33 7.94 -1.06 -4.34 117.00 119.83 3fi0 n LEU 256 Ca 0.06 -0.12 0.01 0.00 -1.11 0.00 0.00 56.01 54.85 3fi0 n LEU 256 Cb 0.59 -0.79 0.07 0.00 0.53 0.00 0.00 43.42 43.82 3fi0 n LEU 256 CO 0.26 0.88 0.56 1.21 -1.11 0.00 0.00 177.39 179.20 3fi0 n GLU 257 N -3.16 -0.17 -0.36 1.96 2.13 0.26 -5.04 120.64 116.25 3fi0 n GLU 257 Ca -0.40 1.42 -0.04 0.00 0.66 0.00 0.00 57.16 58.81 3fi0 n GLU 257 Cb 0.93 -2.12 -0.05 0.00 0.27 0.00 0.00 31.44 30.47 3fi0 n GLU 257 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 3fi0 n ARG 258 N -5.40 0.72 0.00 5.31 1.85 -1.18 -4.89 116.66 113.06 3fi0 n ARG 258 Ca 0.11 -0.30 0.00 0.00 -1.00 0.00 0.00 57.85 56.67 3fi0 n ARG 258 Cb 0.40 -1.58 0.00 0.00 -1.05 0.00 0.00 32.46 30.23 3fi0 n ARG 258 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3fi0 n GLY 266 N 2.48 0.00 0.07 2.89 0.00 -1.26 -5.17 105.19 104.20 3fi0 n GLY 266 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 3fi0 n GLY 266 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3fi0 h VAL 267 N 0.00 1.35 -0.74 1.61 3.04 -2.05 -2.77 116.25 116.69 3fi0 h VAL 267 Ca 0.00 -1.88 0.15 0.00 -1.01 0.00 0.00 66.70 63.95 3fi0 h VAL 267 Cb 0.00 2.50 -0.14 0.00 -2.01 0.00 0.00 31.29 31.64 3fi0 h VAL 267 CO 0.00 0.44 -0.19 0.33 -1.01 0.00 0.00 177.57 177.14 3fi0 n PHE 268 N -4.69 0.26 0.10 3.17 7.35 -1.26 -2.57 117.46 119.81 3fi0 n PHE 268 Ca -0.08 0.91 -0.07 0.00 -0.76 0.00 0.00 57.45 57.45 3fi0 n PHE 268 Cb 0.36 -0.92 -0.04 0.00 0.35 0.00 0.00 39.48 39.22 3fi0 n PHE 268 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 3fi0 h LYS 269 N 0.00 -0.33 0.00 -4.13 1.57 -1.95 0.64 116.57 112.38 3fi0 h LYS 269 Ca 0.35 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3fi0 h LYS 269 Cb 0.54 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3fi0 h LYS 269 CO -0.76 -0.12 0.35 0.00 -0.57 0.00 0.00 179.45 178.34 3fi0 h ALA 270 N -0.92 1.27 0.09 3.86 0.00 -1.56 2.03 119.26 124.03 3fi0 h ALA 270 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.58 3fi0 h ALA 270 Cb 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3fi0 h ALA 270 CO 0.06 -0.27 -1.56 -0.44 0.00 0.00 0.00 179.25 177.04 3fi0 h ASP 271 N 0.00 0.29 1.17 0.00 3.32 -1.02 -3.28 116.42 116.90 3fi0 h ASP 271 Ca 0.00 -0.80 -0.15 0.00 0.02 0.00 0.00 57.03 56.10 3fi0 h ASP 271 Cb 0.71 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3fi0 h ASP 271 CO 0.00 1.66 -0.87 0.25 -1.72 0.00 0.00 179.24 178.57 3fi0 h LEU 272 N -0.37 0.00 -1.96 1.55 5.85 0.43 -2.61 115.31 118.21 3fi0 h LEU 272 Ca -0.36 0.00 0.45 0.00 0.84 0.00 0.00 57.88 58.81 3fi0 h LEU 272 Cb 1.73 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.69 3fi0 h LEU 272 CO -0.00 0.66 1.10 0.00 -0.34 0.00 0.00 178.44 179.86 3fi0 h ALA 273 N 1.34 3.42 0.00 1.25 0.00 0.31 -3.08 119.26 122.49 3fi0 h ALA 273 Ca -0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3fi0 h ALA 273 Cb 1.55 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 3fi0 h ALA 273 CO 0.08 -1.88 -0.55 1.96 0.00 0.00 0.00 179.25 178.86 3fi0 h GLN 274 N 0.01 0.00 -1.23 0.00 1.08 -1.52 -3.30 115.11 110.15 3fi0 h GLN 274 Ca 0.74 0.00 0.35 0.00 -1.45 0.00 0.00 58.65 58.30 3fi0 h GLN 274 Cb 2.94 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 30.31 3fi0 h GLN 274 CO -0.03 0.37 0.87 0.28 -0.95 0.00 0.00 178.83 179.37 3fi0 h VAL 275 N -1.00 0.38 0.01 -0.54 2.07 -1.45 0.13 116.25 115.85 3fi0 h VAL 275 Ca -0.09 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 3fi0 h VAL 275 Cb 0.67 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3fi0 h VAL 275 CO -0.06 0.01 -0.05 0.58 0.02 0.00 0.00 177.57 178.07 3fi0 h VAL 276 N 0.06 1.70 -1.12 2.57 2.07 -1.70 0.10 116.25 119.92 3fi0 h VAL 276 Ca 0.61 -2.12 0.35 0.00 0.82 0.00 0.00 66.70 66.36 3fi0 h VAL 276 Cb 2.29 3.13 -0.13 0.00 -1.52 0.00 0.00 31.29 35.06 3fi0 h VAL 276 CO -0.07 0.55 0.69 0.40 0.02 0.00 0.00 177.57 179.17 3fi0 h ILE 277 N -0.84 0.30 0.00 4.57 2.04 -1.25 -1.74 117.51 120.58 3fi0 h ILE 277 Ca -0.01 -0.09 -0.27 0.00 1.00 0.00 0.00 64.86 65.49 3fi0 h ILE 277 Cb 0.94 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 3fi0 h ILE 277 CO 0.01 0.05 -1.53 -0.08 0.00 0.00 0.00 178.15 176.60 3fi0 h GLU 278 N 0.26 0.00 -0.35 2.37 4.81 -0.66 0.13 114.58 121.14 3fi0 h GLU 278 Ca 0.73 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.87 3fi0 h GLU 278 Cb 1.94 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.31 3fi0 h GLU 278 CO -0.46 0.63 -0.08 1.15 -0.73 0.00 0.00 179.01 179.51 3fi0 h THR 279 N 0.00 1.28 0.02 0.32 2.02 -0.83 -3.34 112.91 112.38 3fi0 h THR 279 Ca -0.21 -1.15 -0.21 0.00 0.77 0.00 0.00 66.41 65.61 3fi0 h THR 279 Cb 1.95 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 69.64 3fi0 h THR 279 CO 0.09 0.38 -0.97 -0.07 0.37 0.00 0.00 175.52 175.32 3fi0 h LEU 280 N 0.47 0.12 -0.79 2.58 3.38 -1.21 -3.22 115.31 116.63 3fi0 h LEU 280 Ca 0.09 -0.11 0.18 0.00 0.09 0.00 0.00 57.88 58.13 3fi0 h LEU 280 Cb 0.59 -0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.16 3fi0 h LEU 280 CO 0.03 1.02 -0.02 -0.09 0.09 0.00 0.00 178.44 179.47 3fi0 h ARG 281 N 0.03 0.08 0.01 1.13 2.43 -0.87 1.51 114.38 118.70 3fi0 h ARG 281 Ca -0.04 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 3fi0 h ARG 281 Cb 1.68 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.21 3fi0 h ARG 281 CO 0.14 0.05 -0.17 -1.00 -1.51 0.00 0.00 179.97 177.48 3fi0 h PRO 282 N 0.08 0.10 0.13 0.20 0.13 -1.75 -2.35 132.00 128.53 3fi0 h PRO 282 Ca 0.43 -0.12 0.02 0.00 -0.87 0.00 0.00 66.00 65.46 3fi0 h PRO 282 Cb 0.77 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.90 3fi0 h PRO 282 CO -0.72 0.92 -0.30 0.82 -0.23 0.00 0.00 178.00 178.49 3fi0 h ILE 283 N -0.67 0.35 -0.94 -3.56 2.04 -1.40 0.16 117.51 113.48 3fi0 h ILE 283 Ca -0.02 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.11 3fi0 h ILE 283 Cb 0.99 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 3fi0 h ILE 283 CO 0.03 0.00 0.75 -0.61 0.00 0.00 0.00 178.15 178.32 3fi0 h GLN 284 N -0.53 0.00 -0.17 2.37 4.15 0.20 -1.58 115.11 119.55 3fi0 h GLN 284 Ca 0.03 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.25 3fi0 h GLN 284 Cb 0.56 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.25 3fi0 h GLN 284 CO -0.17 0.00 -0.69 0.93 -1.93 0.00 0.00 178.83 176.97 3fi0 h GLU 285 N 0.00 0.76 0.10 1.69 5.08 -0.12 -3.25 114.58 118.85 3fi0 h GLU 285 Ca 0.45 -0.59 -0.29 0.00 -1.00 0.00 0.00 59.36 57.92 3fi0 h GLU 285 Cb 1.94 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.29 3fi0 h GLU 285 CO -0.00 1.21 -1.47 0.00 -1.00 0.00 0.00 179.01 177.74 3fi0 h ARG 286 N 0.48 0.22 -0.81 2.33 3.08 -0.89 -3.19 114.38 115.60 3fi0 h ARG 286 Ca -0.04 -0.37 0.12 0.00 0.07 0.00 0.00 59.98 59.76 3fi0 h ARG 286 Cb 1.32 0.14 -0.13 0.00 0.08 0.00 0.00 29.97 31.38 3fi0 h ARG 286 CO 0.14 1.08 -0.32 0.98 -1.07 0.00 0.00 179.97 180.78 3fi0 n TYR 287 N -3.43 0.00 1.05 3.04 9.36 -0.78 0.15 117.16 126.56 3fi0 n TYR 287 Ca -0.14 0.99 0.00 0.00 3.32 0.00 0.00 57.90 62.07 3fi0 n TYR 287 Cb 1.03 -0.79 0.00 0.00 -0.63 0.00 0.00 39.34 38.96 3fi0 n TYR 287 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3fi0 n HIS 288 N -5.18 0.00 0.00 2.98 8.25 -1.20 -3.60 115.22 116.47 3fi0 n HIS 288 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 3fi0 n HIS 288 Cb 0.32 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.43 3fi0 n HIS 288 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 3fi0 n HIS 289 N -0.50 0.00 0.42 4.41 -0.00 0.41 -3.73 115.22 116.22 3fi0 n HIS 289 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3fi0 n HIS 289 Cb 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.03 3fi0 n HIS 289 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.34 177.25 3fi0 n TRP 290 N -2.42 0.00 0.00 1.57 7.02 0.07 -1.18 117.44 122.49 3fi0 n TRP 290 Ca 0.00 -0.22 0.00 0.00 -1.02 0.00 0.00 57.50 56.26 3fi0 n TRP 290 Cb 0.37 -0.17 0.00 0.00 -2.42 0.00 0.00 31.31 29.09 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 0.81 0.00 -3.51 -0.99 1.02 -1.24 -4.45 120.64 112.27 3fi0 n GLU 292 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 3fi0 n GLU 292 Cb 0.22 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.58 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 6.75 0.00 1.62 0.15 -0.32 -4.97 113.70 116.93 3fi0 s SER 293 Ca 0.00 0.92 0.20 0.00 0.70 0.00 0.00 55.95 57.77 3fi0 s SER 293 Cb 0.00 -2.23 0.89 0.00 -1.71 0.00 0.00 66.02 62.97 3fi0 s SER 293 CO 0.00 0.25 1.61 -1.84 1.20 0.00 0.00 173.24 174.46 3fi0 n GLU 294 N 1.39 1.48 0.17 5.44 0.28 -1.26 -3.19 120.64 124.95 3fi0 n GLU 294 Ca -0.11 -0.73 0.13 0.00 -0.16 0.00 0.00 57.16 56.30 3fi0 n GLU 294 Cb 0.52 -1.36 0.47 0.00 1.43 0.00 0.00 31.44 32.50 3fi0 n GLU 294 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3fi0 h GLU 295 N 1.48 0.00 -0.07 3.44 4.39 -1.93 -3.12 114.58 118.77 3fi0 h GLU 295 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3fi0 h GLU 295 Cb 0.32 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 3fi0 h GLU 295 CO 0.00 0.00 -0.03 1.25 -1.16 0.00 0.00 179.01 179.07 3fi0 h LEU 296 N 0.00 0.15 -2.21 1.33 5.85 -1.78 0.27 115.31 118.92 3fi0 h LEU 296 Ca 0.00 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 3fi0 h LEU 296 Cb 0.58 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 3fi0 h LEU 296 CO 0.00 0.52 -0.06 0.44 -0.34 0.00 0.00 178.44 179.00 3fi0 h ASP 297 N -0.23 0.00 0.17 1.25 3.45 -1.79 -2.10 116.42 117.18 3fi0 h ASP 297 Ca 0.02 0.00 -0.30 0.00 0.43 0.00 0.00 57.03 57.18 3fi0 h ASP 297 Cb 0.46 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.25 3fi0 h ASP 297 CO 0.01 0.06 -1.45 0.03 -1.57 0.00 0.00 179.24 176.32 3fi0 h ARG 298 N 0.00 0.36 -0.59 3.56 3.08 -1.47 -2.85 114.38 116.47 3fi0 h ARG 298 Ca -0.00 -0.62 0.04 0.00 0.07 0.00 0.00 59.98 59.47 3fi0 h ARG 298 Cb 0.20 0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 3fi0 h ARG 298 CO 0.01 1.30 0.39 0.28 -1.07 0.00 0.00 179.97 180.88 3fi0 h VAL 299 N -0.09 1.05 0.00 2.04 2.07 -0.11 -2.28 116.25 118.94 3fi0 h VAL 299 Ca -0.28 -0.23 -0.15 0.00 0.82 0.00 0.00 66.70 66.86 3fi0 h VAL 299 Cb 1.94 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 3fi0 h VAL 299 CO 0.16 0.12 -0.71 -0.07 0.02 0.00 0.00 177.57 177.09 3fi0 h LEU 300 N 0.66 0.00 -0.22 2.57 3.38 -1.46 -2.52 115.31 117.72 3fi0 h LEU 300 Ca 0.24 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.00 3fi0 h LEU 300 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3fi0 h LEU 300 CO -0.07 0.71 -0.92 0.44 0.09 0.00 0.00 178.44 178.69 3fi0 h ASP 301 N 0.00 0.36 -0.41 -0.43 3.32 -1.18 -1.61 116.42 116.49 3fi0 h ASP 301 Ca -0.01 -0.30 -0.10 0.00 0.02 0.00 0.00 57.03 56.65 3fi0 h ASP 301 Cb 1.36 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 3fi0 h ASP 301 CO 0.09 1.11 -0.10 -0.33 -1.72 0.00 0.00 179.24 178.29 3fi0 h GLU 302 N 0.15 0.86 -0.22 3.56 4.39 -1.43 0.03 114.58 121.92 3fi0 h GLU 302 Ca -0.06 -0.29 -0.16 0.00 0.34 0.00 0.00 59.36 59.19 3fi0 h GLU 302 Cb 1.56 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.15 3fi0 h GLU 302 CO 0.15 0.92 -0.49 0.78 -1.16 0.00 0.00 179.01 179.21 3fi0 h GLY 303 N 0.97 0.78 1.01 -3.84 0.00 -1.37 -1.04 103.07 99.59 3fi0 h GLY 303 Ca 0.13 -0.95 -0.04 0.00 0.00 0.00 0.00 47.33 46.46 3fi0 h GLY 303 CO 0.04 0.85 0.21 0.00 0.00 0.00 0.00 176.54 177.65 3fi0 h ALA 304 N 0.61 0.80 -0.69 3.60 0.00 -1.17 -2.08 119.26 120.33 3fi0 h ALA 304 Ca 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3fi0 h ALA 304 Cb 1.10 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3fi0 h ALA 304 CO 0.11 0.45 0.21 1.49 0.00 0.00 0.00 179.25 181.51 3fi0 h GLU 305 N 0.87 1.07 -0.06 0.00 4.81 -0.93 -0.08 114.58 120.26 3fi0 h GLU 305 Ca 0.20 -0.23 -0.20 0.00 -0.13 0.00 0.00 59.36 59.00 3fi0 h GLU 305 Cb 0.26 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 3fi0 h GLU 305 CO -0.01 0.92 -0.80 0.87 -0.73 0.00 0.00 179.01 179.26 3fi0 h LYS 306 N 1.03 0.45 0.04 1.92 1.57 -1.05 -3.01 116.57 117.52 3fi0 h LYS 306 Ca 0.22 -0.40 -0.23 0.00 -1.87 0.00 0.00 60.65 58.37 3fi0 h LYS 306 Cb 0.30 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 3fi0 h LYS 306 CO -0.01 1.05 -1.02 0.00 -0.57 0.00 0.00 179.45 178.90 3fi0 h ALA 307 N 0.83 0.33 -0.50 3.86 0.00 -1.26 -3.15 119.26 119.37 3fi0 h ALA 307 Ca -0.05 -0.79 -0.08 0.00 0.00 0.00 0.00 54.91 54.00 3fi0 h ALA 307 Cb 1.40 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3fi0 h ALA 307 CO 0.14 0.94 -0.01 -0.91 0.00 0.00 0.00 179.25 179.41 3fi0 h ASN 308 N 0.12 0.83 0.06 0.00 -0.26 -1.06 0.43 115.58 115.69 3fi0 h ASN 308 Ca -0.08 -0.21 -0.00 0.00 -0.56 0.00 0.00 56.30 55.45 3fi0 h ASN 308 Cb 1.69 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 38.73 3fi0 h ASN 308 CO 0.16 0.90 -0.03 -0.09 -1.06 0.00 0.00 177.43 177.31 3fi0 h ARG 309 N 0.79 -0.08 0.23 0.81 2.43 -1.57 0.18 114.38 117.17 3fi0 h ARG 309 Ca 0.15 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 3fi0 h ARG 309 Cb 0.49 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3fi0 h ARG 309 CO 0.02 0.06 -0.11 0.28 -1.51 0.00 0.00 179.97 178.71 3fi0 h VAL 310 N -0.20 0.73 -0.35 0.20 2.07 -1.49 -3.17 116.25 114.04 3fi0 h VAL 310 Ca -0.01 -0.92 0.05 0.00 0.82 0.00 0.00 66.70 66.65 3fi0 h VAL 310 Cb 0.17 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 3fi0 h VAL 310 CO 0.01 0.17 0.07 0.00 0.02 0.00 0.00 177.57 177.84 3fi0 h ALA 311 N -0.35 0.38 0.00 1.67 0.00 -0.19 -2.75 119.26 118.01 3fi0 h ALA 311 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fi0 h ALA 311 Cb 0.51 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3fi0 h ALA 311 CO 0.05 -0.33 0.00 0.66 0.00 0.00 0.00 179.25 179.63 3fi0 h SER 312 N 0.19 0.00 -0.22 0.00 4.64 -0.76 -2.24 113.55 115.16 3fi0 h SER 312 Ca 0.17 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.37 3fi0 h SER 312 Cb 0.19 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.21 3fi0 h SER 312 CO -0.22 0.00 0.14 1.21 -0.87 0.00 0.00 176.83 177.09 3fi0 n GLU 313 N -2.64 1.28 0.00 4.77 4.07 -1.04 -2.46 120.64 124.62 3fi0 n GLU 313 Ca 0.01 -0.67 0.00 0.00 -0.06 0.00 0.00 57.16 56.44 3fi0 n GLU 313 Cb 0.21 -1.27 0.00 0.00 -0.06 0.00 0.00 31.44 30.33 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 0.13 0.00 0.27 6.31 0.31 -0.84 -1.29 118.33 123.22 3fi0 n VAL 315 Ca 0.13 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.56 3fi0 n VAL 315 Cb 0.76 0.00 0.72 0.00 -0.91 0.00 0.00 33.84 34.40 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 0.00 -0.99 5.55 2.43 -1.76 0.28 114.38 119.89 3fi0 h ARG 316 Ca 0.00 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.98 3fi0 h ARG 316 Cb 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.44 3fi0 h ARG 316 CO 0.00 0.03 0.24 1.63 -1.51 0.00 0.00 179.97 180.37 3fi0 n LYS 317 N -4.24 1.59 0.00 0.20 5.02 -0.41 -2.30 118.16 118.03 3fi0 n LYS 317 Ca -0.03 -1.22 0.00 0.00 -2.02 0.00 0.00 58.31 55.04 3fi0 n LYS 317 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 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 -0.13 0.00 0.10 1.97 1.02 0.99 -2.73 120.64 121.85 3fi0 n GLU 319 Ca 0.23 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.31 3fi0 n GLU 319 Cb 0.95 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 32.43 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 0.14 -0.68 3.49 5.75 -1.66 0.52 115.11 122.66 3fi0 h GLN 320 Ca 0.00 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.37 3fi0 h GLN 320 Cb 0.00 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.58 3fi0 h GLN 320 CO 0.00 0.83 0.00 0.00 -2.65 0.00 0.00 178.83 177.01 3fi0 n ALA 321 N -2.44 2.18 -1.98 3.38 0.00 -1.11 -4.81 120.51 115.73 3fi0 n ALA 321 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3fi0 n ALA 321 Cb 0.73 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.18 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 0.13 0.82 3.70 0.00 0.00 0.25 -4.99 105.19 105.11 3fi0 n GLY 323 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 4.33 0.00 0.99 1.43 0.16 -4.87 118.68 120.72 3fi0 s LEU 324 Ca 0.00 1.74 0.00 0.00 -1.03 0.00 0.00 54.13 54.84 3fi0 s LEU 324 Cb 0.00 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.65 3fi0 s LEU 324 CO 0.00 -0.39 0.00 0.61 0.23 0.00 0.00 176.35 176.80 3fi0 n GLY 325 N 3.08 2.36 0.00 -3.19 0.00 -1.26 -4.62 105.19 101.57 3fi0 n GLY 325 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3fi0 n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86