#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 4.17 -0.14 -0.18 2.01 -1.26 -0.49 115.64 119.75 3fi0 s THR 3 Ca 0.00 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 61.75 3fi0 s THR 3 Cb 0.00 -2.81 0.00 0.00 0.01 0.00 0.00 72.50 69.70 3fi0 s THR 3 CO 0.00 0.52 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.63 3fi0 s ILE 4 N -0.01 2.37 -0.14 1.82 1.01 0.11 -0.79 121.20 125.57 3fi0 s ILE 4 Ca 0.02 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.81 3fi0 s ILE 4 Cb -0.13 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.38 3fi0 s ILE 4 CO 0.02 0.53 -0.19 0.12 0.00 0.00 0.00 174.94 175.43 3fi0 s PHE 5 N 0.73 2.72 -0.09 3.97 2.19 -1.01 0.14 117.98 126.63 3fi0 s PHE 5 Ca -0.08 -1.13 0.02 0.00 0.33 0.00 0.00 56.93 56.07 3fi0 s PHE 5 Cb -0.16 -1.84 0.01 0.00 -1.31 0.00 0.00 43.02 39.73 3fi0 s PHE 5 CO 0.01 -0.51 -0.15 0.45 1.83 0.00 0.00 175.22 176.85 3fi0 s SER 6 N 0.73 2.25 -0.24 6.13 0.15 0.46 -4.19 113.70 118.99 3fi0 s SER 6 Ca -0.08 -0.39 -0.07 0.00 0.70 0.00 0.00 55.95 56.11 3fi0 s SER 6 Cb -0.16 -1.02 -0.03 0.00 -1.71 0.00 0.00 66.02 63.11 3fi0 s SER 6 CO 0.01 0.04 0.06 -0.83 1.20 0.00 0.00 173.24 173.71 3fi0 s GLY 7 N 0.80 1.78 -0.15 9.45 0.00 -1.26 -0.16 107.32 117.79 3fi0 s GLY 7 Ca -0.11 -1.07 -0.03 0.00 0.00 0.00 0.00 44.72 43.51 3fi0 s GLY 7 CO 0.02 0.45 -0.05 -0.42 0.00 0.00 0.00 173.10 173.09 3fi0 s ILE 8 N 1.40 3.80 -0.00 0.90 -1.09 0.20 -4.91 121.20 121.49 3fi0 s ILE 8 Ca 0.05 -0.40 -0.12 0.00 -2.23 0.00 0.00 60.65 57.96 3fi0 s ILE 8 Cb -0.15 -2.65 -0.07 0.00 -1.58 0.00 0.00 42.46 38.02 3fi0 s ILE 8 CO 0.03 0.50 0.76 1.56 -1.23 0.00 0.00 174.94 176.57 3fi0 h GLN 9 N 6.61 -0.42 0.00 2.79 1.08 -1.86 0.43 115.11 123.74 3fi0 h GLN 9 Ca -0.31 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 3fi0 h GLN 9 Cb 1.19 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 3fi0 h GLN 9 CO 0.61 -0.28 0.00 0.25 -0.95 0.00 0.00 178.83 178.47 3fi0 n THR 15 N -3.80 0.00 0.84 -0.54 -2.24 -1.26 -4.95 114.28 102.33 3fi0 n THR 15 Ca -0.05 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.85 3fi0 n THR 15 Cb 0.17 0.00 0.32 0.00 -2.10 0.00 0.00 70.33 68.72 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 -0.93 0.15 -0.19 2.28 -5.35 0.72 -2.14 119.36 113.90 3fi0 n ILE 16 Ca 0.00 -0.10 -0.10 0.00 -0.27 0.00 0.00 62.75 62.28 3fi0 n ILE 16 Cb 0.00 -0.09 0.02 0.00 -1.74 0.00 0.00 39.64 37.83 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 4.82 1.14 0.22 3.28 0.00 -1.94 0.12 103.07 110.71 3fi0 h GLY 17 Ca 0.00 -0.90 0.12 0.00 0.00 0.00 0.00 47.33 46.55 3fi0 h GLY 17 CO 0.00 0.83 0.21 -0.57 0.00 0.00 0.00 176.54 177.01 3fi0 h ASN 18 N 0.94 0.16 0.13 0.19 -1.24 -1.89 -1.26 115.58 112.61 3fi0 h ASN 18 Ca 0.15 0.10 -0.02 0.00 0.71 0.00 0.00 56.30 57.24 3fi0 h ASN 18 Cb 0.66 0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.81 3fi0 h ASN 18 CO 0.05 0.08 -0.10 0.22 -1.29 0.00 0.00 177.43 176.38 3fi0 h TYR 19 N 0.36 0.00 0.00 0.67 3.20 -0.50 -2.60 116.97 118.11 3fi0 h TYR 19 Ca 0.35 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 62.05 3fi0 h TYR 19 Cb 0.50 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 3fi0 h TYR 19 CO -0.20 0.10 -2.04 -0.89 -1.64 0.00 0.00 178.16 173.49 3fi0 n ILE 20 N -4.22 0.64 0.01 1.81 5.41 0.21 -3.43 119.36 119.78 3fi0 n ILE 20 Ca -0.03 -0.60 -0.01 0.00 1.00 0.00 0.00 62.75 63.12 3fi0 n ILE 20 Cb 0.18 -0.25 -0.00 0.00 -0.71 0.00 0.00 39.64 38.86 3fi0 n ILE 20 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3fi0 h GLY 21 N 3.45 -0.04 0.00 7.39 0.00 -1.09 -3.45 103.07 109.33 3fi0 h GLY 21 Ca -0.25 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3fi0 h GLY 21 CO 0.01 -0.02 -0.94 0.00 0.00 0.00 0.00 176.54 175.60 3fi0 n ALA 22 N -2.17 1.97 0.13 3.60 0.00 -1.00 -4.61 120.51 118.43 3fi0 n ALA 22 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3fi0 n ALA 22 Cb 0.02 0.35 0.06 0.00 0.00 0.00 0.00 19.45 19.87 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 0.00 -0.10 0.00 5.85 -1.73 -3.35 115.31 115.98 3fi0 h LEU 23 Ca 0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 3fi0 h LEU 23 Cb 0.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3fi0 h LEU 23 CO 0.00 0.62 -0.36 -0.09 -0.34 0.00 0.00 178.44 178.28 3fi0 h ARG 24 N 0.00 0.42 -0.94 1.25 2.43 -1.78 -3.23 114.38 112.54 3fi0 h ARG 24 Ca -0.01 -0.32 0.22 0.00 -0.81 0.00 0.00 59.98 59.07 3fi0 h ARG 24 Cb 1.37 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.91 3fi0 h ARG 24 CO 0.08 0.94 0.62 1.96 -1.51 0.00 0.00 179.97 182.06 3fi0 h GLN 25 N -0.02 0.36 0.00 0.20 7.50 -1.82 -3.12 115.11 118.21 3fi0 h GLN 25 Ca -0.02 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.11 3fi0 h GLN 25 Cb 0.99 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 28.44 3fi0 h GLN 25 CO 0.08 0.24 -0.69 0.74 -1.50 0.00 0.00 178.83 177.70 3fi0 h PHE 26 N 0.37 0.00 -1.02 2.96 0.04 -1.77 -1.20 116.94 116.33 3fi0 h PHE 26 Ca 0.49 0.00 0.30 0.00 2.80 0.00 0.00 57.97 61.56 3fi0 h PHE 26 Cb 1.29 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.40 3fi0 h PHE 26 CO -0.00 0.00 0.76 0.28 -0.60 0.00 0.00 178.31 178.75 3fi0 h VAL 27 N 0.00 0.44 0.00 -0.55 2.07 -1.71 0.32 116.25 116.82 3fi0 h VAL 27 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3fi0 h VAL 27 Cb 0.97 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3fi0 h VAL 27 CO 0.00 0.00 -0.11 -0.62 0.02 0.00 0.00 177.57 176.86 3fi0 n GLU 28 N -4.14 4.80 0.16 1.57 1.02 -1.11 -4.51 120.64 118.44 3fi0 n GLU 28 Ca 0.22 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.36 3fi0 n GLU 28 Cb 1.11 -0.45 0.27 0.00 -0.02 0.00 0.00 31.44 32.35 3fi0 n GLU 28 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3fi0 h LEU 29 N 0.00 0.00 -1.01 -4.62 3.38 -0.77 -3.00 115.31 109.29 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 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3fi0 h LEU 29 CO 0.00 0.49 0.00 0.00 0.09 0.00 0.00 178.44 179.02 3fi0 n GLN 30 N -3.96 0.15 0.05 1.13 10.64 0.11 -1.45 117.38 124.05 3fi0 n GLN 30 Ca -0.02 0.53 0.06 0.00 -1.83 0.00 0.00 57.00 55.74 3fi0 n GLN 30 Cb 0.51 -1.88 -0.06 0.00 -0.86 0.00 0.00 30.24 27.94 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 -2.18 0.82 0.24 2.61 8.25 -1.13 -4.24 115.22 119.60 3fi0 n HIS 31 Ca 0.00 0.26 0.03 0.00 -0.26 0.00 0.00 57.72 57.74 3fi0 n HIS 31 Cb 0.11 -0.96 -0.01 0.00 1.12 0.00 0.00 29.99 30.26 3fi0 n HIS 31 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3fi0 n GLU 32 N -2.72 2.83 -4.34 -0.41 -0.58 -0.94 -5.02 120.64 109.46 3fi0 n GLU 32 Ca -0.06 -0.38 -0.17 0.00 -0.42 0.00 0.00 57.16 56.12 3fi0 n GLU 32 Cb 0.70 -0.91 -0.10 0.00 -0.57 0.00 0.00 31.44 30.55 3fi0 n GLU 32 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3fi0 s TYR 33 N -1.04 1.61 -0.48 -0.32 1.51 -0.53 -4.65 117.35 113.45 3fi0 s TYR 33 Ca 0.04 -1.08 -0.16 0.00 -1.01 0.00 0.00 57.07 54.87 3fi0 s TYR 33 Cb 0.04 -0.97 0.08 0.00 -0.11 0.00 0.00 41.96 41.00 3fi0 s TYR 33 CO 0.15 -0.21 0.41 1.21 -1.11 0.00 0.00 175.55 176.00 3fi0 s ASN 34 N -3.34 6.15 -0.09 2.29 3.04 0.36 -4.68 114.94 118.68 3fi0 s ASN 34 Ca 0.35 -1.35 -0.02 0.00 0.04 0.00 0.00 52.86 51.88 3fi0 s ASN 34 Cb 0.08 -2.19 -0.03 0.00 -1.54 0.00 0.00 41.25 37.56 3fi0 s ASN 34 CO 0.13 -0.66 0.02 0.00 -3.04 0.00 0.00 177.10 173.54 3fi0 s TYR 36 N -0.92 2.38 -0.42 0.00 2.02 0.12 -2.14 117.35 118.39 3fi0 s TYR 36 Ca 0.14 -0.99 0.01 0.00 -0.37 0.00 0.00 57.07 55.85 3fi0 s TYR 36 Cb -0.11 -1.61 0.11 0.00 -0.40 0.00 0.00 41.96 39.95 3fi0 s TYR 36 CO 0.03 -0.42 0.17 -0.06 -1.57 0.00 0.00 175.55 173.70 3fi0 s PHE 37 N 0.46 3.59 -0.22 2.71 0.40 0.91 -0.41 117.98 125.42 3fi0 s PHE 37 Ca -0.17 -2.79 -0.17 0.00 -0.60 0.00 0.00 56.93 53.20 3fi0 s PHE 37 Cb -0.17 -3.05 -0.03 0.00 0.51 0.00 0.00 43.02 40.27 3fi0 s PHE 37 CO 0.07 -0.92 0.46 0.00 0.70 0.00 0.00 175.22 175.53 3fi0 s ILE 39 N 1.76 4.30 -1.35 0.00 1.01 -0.39 0.63 121.20 127.16 3fi0 s ILE 39 Ca 0.21 -0.32 -0.16 0.00 0.00 0.00 0.00 60.65 60.37 3fi0 s ILE 39 Cb -0.15 -4.69 0.02 0.00 0.01 0.00 0.00 42.46 37.65 3fi0 s ILE 39 CO 0.09 -1.47 2.10 1.33 0.00 0.00 0.00 174.94 177.00 3fi0 n VAL 40 N 5.94 3.31 0.28 2.92 0.24 0.14 -1.24 118.33 129.92 3fi0 n VAL 40 Ca -0.04 -3.01 0.16 0.00 -2.04 0.00 0.00 64.34 59.42 3fi0 n VAL 40 Cb 0.46 -2.52 0.74 0.00 -1.47 0.00 0.00 33.84 31.04 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 6.58 0.00 1.30 -1.34 2.03 -1.93 -2.65 116.42 120.41 3fi0 h ASP 41 Ca 0.52 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.68 3fi0 h ASP 41 Cb 0.69 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.17 3fi0 h ASP 41 CO 1.81 0.06 -0.69 1.56 -1.03 0.00 0.00 179.24 180.94 3fi0 h GLN 42 N 0.00 0.00 -0.01 4.15 4.20 -1.95 -3.11 115.11 118.39 3fi0 h GLN 42 Ca -0.00 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 3fi0 h GLN 42 Cb 0.45 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 3fi0 h GLN 42 CO 0.01 0.69 -0.83 0.45 -0.67 0.00 0.00 178.83 178.48 3fi0 h HIS 43 N 0.00 0.31 -0.65 2.96 3.86 -1.88 -3.24 115.15 116.52 3fi0 h HIS 43 Ca -0.01 -0.16 0.07 0.00 -1.16 0.00 0.00 60.37 59.11 3fi0 h HIS 43 Cb 1.53 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 29.92 3fi0 h HIS 43 CO 0.00 0.95 0.43 0.00 0.86 0.00 0.00 177.93 180.17 3fi0 h ALA 44 N 1.00 1.81 -0.00 2.45 0.00 -1.43 -2.14 119.26 120.95 3fi0 h ALA 44 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3fi0 h ALA 44 Cb 1.43 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3fi0 h ALA 44 CO 0.13 0.08 0.00 0.44 0.00 0.00 0.00 179.25 179.89 3fi0 n ILE 45 N -4.48 0.00 0.25 0.00 -5.35 -1.22 -2.99 119.36 105.58 3fi0 n ILE 45 Ca 0.10 -0.00 0.14 0.00 -0.27 0.00 0.00 62.75 62.71 3fi0 n ILE 45 Cb 0.26 -0.07 0.53 0.00 -1.74 0.00 0.00 39.64 38.62 3fi0 n ILE 45 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 3fi0 h THR 46 N 0.02 0.17 -2.40 7.28 1.35 -1.56 -3.43 112.91 114.34 3fi0 h THR 46 Ca 0.00 -0.80 -0.55 0.00 -0.55 0.00 0.00 66.41 64.52 3fi0 h THR 46 Cb 0.00 1.68 -0.14 0.00 -1.73 0.00 0.00 68.15 67.97 3fi0 h THR 46 CO 0.00 0.07 -0.71 0.68 -0.25 0.00 0.00 175.52 175.32 3fi0 s VAL 47 N -3.57 2.01 0.02 6.82 -7.23 -1.16 -4.55 120.40 112.73 3fi0 s VAL 47 Ca 0.02 -2.23 -0.36 0.00 -1.81 0.00 0.00 61.98 57.61 3fi0 s VAL 47 Cb 0.09 -2.39 -0.14 0.00 0.56 0.00 0.00 36.38 34.49 3fi0 s VAL 47 CO 0.59 -0.35 1.62 1.87 -0.31 0.00 0.00 175.10 178.52 3fi0 n TRP 48 N -0.61 2.07 -4.95 2.82 -0.00 -1.26 -4.99 117.44 110.52 3fi0 n TRP 48 Ca -0.06 0.33 -0.27 0.00 -0.00 0.00 0.00 57.50 57.51 3fi0 n TRP 48 Cb 0.62 -2.51 -0.16 0.00 -0.00 0.00 0.00 31.31 29.26 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 1.97 1.75 -0.06 5.87 -1.52 -1.26 -5.02 119.66 121.39 3fi0 s GLN 49 Ca 0.86 -0.69 -0.30 0.00 -1.95 0.00 0.00 55.36 53.28 3fi0 s GLN 49 Cb -0.81 -1.61 -0.04 0.00 -0.22 0.00 0.00 33.01 30.34 3fi0 s GLN 49 CO 0.48 0.36 1.33 0.34 -0.25 0.00 0.00 175.29 177.55 3fi0 s ASP 50 N -0.27 6.92 0.32 5.90 3.68 -1.26 -4.95 116.67 127.01 3fi0 s ASP 50 Ca 0.03 1.94 0.00 0.00 2.13 0.00 0.00 52.55 56.65 3fi0 s ASP 50 Cb -0.09 -2.55 0.51 0.00 -1.45 0.00 0.00 42.92 39.34 3fi0 s ASP 50 CO 0.01 -0.71 1.94 -0.65 0.13 0.00 0.00 175.17 175.89 3fi0 h PRO 51 N 7.95 0.89 -0.27 4.34 0.11 -1.99 -0.25 132.00 142.78 3fi0 h PRO 51 Ca -0.34 -0.09 -0.10 0.00 0.11 0.00 0.00 66.00 65.58 3fi0 h PRO 51 Cb 1.16 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3fi0 h PRO 51 CO 0.92 0.66 -0.21 1.25 -0.21 0.00 0.00 178.00 180.41 3fi0 h HIS 52 N 0.90 0.72 -0.01 0.65 -0.00 -1.99 -2.01 115.15 113.41 3fi0 h HIS 52 Ca 0.23 -0.20 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3fi0 h HIS 52 Cb 0.02 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.41 27.28 3fi0 h HIS 52 CO 0.01 0.90 0.00 0.93 -0.00 0.00 0.00 177.93 179.77 3fi0 h GLU 53 N 0.34 0.02 0.05 5.26 4.39 -1.78 -1.10 114.58 121.76 3fi0 h GLU 53 Ca 0.05 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.76 3fi0 h GLU 53 Cb 0.75 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.36 3fi0 h GLU 53 CO 0.05 0.22 -0.37 1.25 -1.16 0.00 0.00 179.01 179.00 3fi0 h LEU 54 N -0.18 -1.12 -0.95 1.33 5.85 -1.09 0.38 115.31 119.52 3fi0 h LEU 54 Ca 0.00 0.12 0.27 0.00 0.84 0.00 0.00 57.88 59.11 3fi0 h LEU 54 Cb 0.21 0.42 -0.14 0.00 0.37 0.00 0.00 40.66 41.52 3fi0 h LEU 54 CO -0.00 -0.38 0.46 -0.09 -0.34 0.00 0.00 178.44 178.09 3fi0 h ARG 55 N -0.50 0.35 -0.24 1.25 9.65 -1.36 -0.86 114.38 122.67 3fi0 h ARG 55 Ca 0.00 -0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 58.75 3fi0 h ARG 55 Cb 0.52 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.01 3fi0 h ARG 55 CO -0.22 0.23 -0.30 0.37 2.80 0.00 0.00 179.97 182.86 3fi0 h GLN 56 N 0.36 0.62 0.00 0.20 5.75 0.12 -3.22 115.11 118.94 3fi0 h GLN 56 Ca 0.64 -0.35 -0.05 0.00 -0.15 0.00 0.00 58.65 58.74 3fi0 h GLN 56 Cb 1.34 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.90 3fi0 h GLN 56 CO -0.58 0.96 -0.25 -0.91 -2.65 0.00 0.00 178.83 175.40 3fi0 h ASN 57 N 0.33 0.00 -0.58 -0.69 2.35 0.10 -2.55 115.58 114.55 3fi0 h ASN 57 Ca 0.03 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.70 3fi0 h ASN 57 Cb 0.87 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.21 3fi0 h ASN 57 CO 0.07 0.25 0.07 0.40 -1.65 0.00 0.00 177.43 176.57 3fi0 h ILE 58 N 0.00 1.26 -0.13 2.81 2.04 -1.29 -1.78 117.51 120.42 3fi0 h ILE 58 Ca -0.00 -1.03 -0.15 0.00 1.00 0.00 0.00 64.86 64.68 3fi0 h ILE 58 Cb 0.60 0.71 0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3fi0 h ILE 58 CO 0.03 0.38 -0.51 0.03 0.00 0.00 0.00 178.15 178.08 3fi0 h ARG 59 N 0.94 0.57 -0.61 2.37 3.08 -1.53 -2.67 114.38 116.53 3fi0 h ARG 59 Ca 0.18 -0.44 -0.09 0.00 0.07 0.00 0.00 59.98 59.70 3fi0 h ARG 59 Cb 0.45 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 3fi0 h ARG 59 CO 0.02 1.07 0.02 0.00 -1.07 0.00 0.00 179.97 180.00 3fi0 h ARG 60 N 0.21 1.05 -0.06 0.04 3.08 -1.42 -1.43 114.38 115.84 3fi0 h ARG 60 Ca -0.03 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.70 3fi0 h ARG 60 Cb 1.14 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 3fi0 h ARG 60 CO 0.11 1.02 0.03 1.25 -1.07 0.00 0.00 179.97 181.31 3fi0 h LEU 61 N 0.97 0.08 -0.24 3.04 5.85 -1.37 -0.50 115.31 123.14 3fi0 h LEU 61 Ca 0.18 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.84 3fi0 h LEU 61 Cb 0.53 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 3fi0 h LEU 61 CO 0.03 0.15 0.02 0.00 -0.34 0.00 0.00 178.44 178.30 3fi0 h ALA 62 N 0.93 0.23 0.00 1.25 0.00 -1.33 -1.38 119.26 118.96 3fi0 h ALA 62 Ca 0.02 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3fi0 h ALA 62 Cb 0.09 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3fi0 h ALA 62 CO -0.00 -0.40 -0.14 0.00 0.00 0.00 0.00 179.25 178.71 3fi0 h ALA 63 N 1.19 1.22 0.13 0.00 0.00 -1.12 -2.31 119.26 118.37 3fi0 h ALA 63 Ca 0.11 -0.13 -0.29 0.00 0.00 0.00 0.00 54.91 54.61 3fi0 h ALA 63 Cb 0.13 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.91 3fi0 h ALA 63 CO -0.17 0.17 -1.25 -0.07 0.00 0.00 0.00 179.25 177.94 3fi0 h LEU 64 N 0.00 0.66 -0.77 0.00 3.38 -0.46 -0.81 115.31 117.31 3fi0 h LEU 64 Ca -0.00 -0.65 -0.11 0.00 0.09 0.00 0.00 57.88 57.21 3fi0 h LEU 64 Cb 0.42 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3fi0 h LEU 64 CO 0.02 1.48 -0.24 1.88 0.09 0.00 0.00 178.44 181.67 3fi0 h TYR 65 N 0.17 0.75 -0.14 1.13 -1.99 -1.03 0.86 116.97 116.72 3fi0 h TYR 65 Ca -0.17 -0.17 -0.23 0.00 2.00 0.00 0.00 58.73 60.16 3fi0 h TYR 65 Cb 1.94 -0.18 0.01 0.00 2.00 0.00 0.00 36.73 40.50 3fi0 h TYR 65 CO 0.09 0.85 -0.80 -0.07 -0.00 0.00 0.00 178.16 178.23 3fi0 h LEU 66 N 0.58 0.95 -0.90 3.88 3.38 -1.45 -0.73 115.31 121.02 3fi0 h LEU 66 Ca 0.08 -0.63 -0.10 0.00 0.09 0.00 0.00 57.88 57.32 3fi0 h LEU 66 Cb 0.72 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3fi0 h LEU 66 CO 0.06 1.44 -0.28 0.00 0.09 0.00 0.00 178.44 179.74 3fi0 h ALA 67 N 0.54 1.07 0.00 1.53 0.00 -0.97 -2.54 119.26 118.88 3fi0 h ALA 67 Ca -0.06 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 3fi0 h ALA 67 Cb 1.43 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3fi0 h ALA 67 CO 0.17 0.57 -0.19 0.28 0.00 0.00 0.00 179.25 180.08 3fi0 h VAL 68 N 0.42 1.12 0.00 0.00 2.07 -0.80 -3.44 116.25 115.62 3fi0 h VAL 68 Ca 0.06 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3fi0 h VAL 68 Cb 0.71 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3fi0 h VAL 68 CO 0.05 0.18 0.00 0.61 0.02 0.00 0.00 177.57 178.44 3fi0 n GLY 69 N -0.98 0.05 3.68 2.17 0.00 -0.96 -4.98 105.19 104.17 3fi0 n GLY 69 Ca -0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.53 3fi0 n GLY 69 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fi0 n ILE 70 N 0.00 0.53 -3.42 -0.61 2.08 -0.29 -4.79 119.36 112.86 3fi0 n ILE 70 Ca 0.00 -0.09 -0.41 0.00 0.56 0.00 0.00 62.75 62.80 3fi0 n ILE 70 Cb 0.00 -1.94 -0.10 0.00 -0.75 0.00 0.00 39.64 36.85 3fi0 n ILE 70 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3fi0 s ASP 71 N 3.64 6.15 0.59 4.38 2.15 -1.26 -4.51 116.67 127.81 3fi0 s ASP 71 Ca 0.89 -0.37 0.29 0.00 0.43 0.00 0.00 52.55 53.79 3fi0 s ASP 71 Cb -0.62 -2.18 1.68 0.00 -0.30 0.00 0.00 42.92 41.50 3fi0 s ASP 71 CO 0.47 -0.35 2.12 1.55 -0.17 0.00 0.00 175.17 178.79 3fi0 h PRO 72 N 8.51 0.00 0.00 4.34 0.13 -1.91 0.90 132.00 143.97 3fi0 h PRO 72 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3fi0 h PRO 72 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3fi0 h PRO 72 CO 0.69 0.00 -0.14 0.25 -0.23 0.00 0.00 178.00 178.57 3fi0 n THR 73 N -3.81 0.17 -0.08 1.56 -2.24 -1.26 -4.05 114.28 104.57 3fi0 n THR 73 Ca 0.01 -0.09 -0.16 0.00 -2.27 0.00 0.00 64.05 61.53 3fi0 n THR 73 Cb 0.29 -0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.09 3fi0 n THR 73 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3fi0 n GLN 74 N -1.74 0.37 -4.20 -0.78 -0.06 0.12 -5.07 117.38 106.02 3fi0 n GLN 74 Ca 0.06 0.14 -0.26 0.00 -2.00 0.00 0.00 57.00 54.94 3fi0 n GLN 74 Cb 0.37 -1.17 -0.07 0.00 -4.06 0.00 0.00 30.24 25.31 3fi0 n GLN 74 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3fi0 s ALA 75 N -2.31 3.72 -0.31 1.69 0.00 0.27 -4.67 121.76 120.16 3fi0 s ALA 75 Ca -0.23 -1.83 -0.07 0.00 0.00 0.00 0.00 51.96 49.84 3fi0 s ALA 75 Cb 0.08 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.88 3fi0 s ALA 75 CO 0.32 -0.19 0.09 0.99 0.00 0.00 0.00 175.76 176.97 3fi0 s THR 76 N -2.66 3.89 -0.28 0.00 2.01 -0.91 -4.41 115.64 113.28 3fi0 s THR 76 Ca 0.36 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.50 3fi0 s THR 76 Cb 0.03 -3.07 0.03 0.00 0.01 0.00 0.00 72.50 69.51 3fi0 s THR 76 CO 0.20 0.00 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.89 3fi0 s LEU 77 N 1.47 3.56 0.23 4.42 2.96 -1.26 -0.06 118.68 129.99 3fi0 s LEU 77 Ca 0.01 -1.03 0.00 0.00 -0.22 0.00 0.00 54.13 52.89 3fi0 s LEU 77 Cb -0.18 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 3fi0 s LEU 77 CO 0.02 -0.19 0.13 0.72 -1.32 0.00 0.00 176.35 175.72 3fi0 s PHE 78 N 1.31 1.30 -0.26 5.38 -0.71 -0.65 -4.23 117.98 120.12 3fi0 s PHE 78 Ca -0.02 -1.36 -0.09 0.00 -1.04 0.00 0.00 56.93 54.42 3fi0 s PHE 78 Cb -0.18 -0.66 -0.04 0.00 -1.21 0.00 0.00 43.02 40.93 3fi0 s PHE 78 CO -0.02 -0.58 0.13 0.42 -1.34 0.00 0.00 175.22 173.82 3fi0 s ILE 79 N -4.00 4.84 0.25 -4.49 1.01 -1.26 -1.27 121.20 116.28 3fi0 s ILE 79 Ca 0.39 0.01 -0.07 0.00 0.00 0.00 0.00 60.65 60.97 3fi0 s ILE 79 Cb 0.07 -3.27 0.30 0.00 0.01 0.00 0.00 42.46 39.56 3fi0 s ILE 79 CO 0.14 0.31 1.62 -0.61 0.00 0.00 0.00 174.94 176.40 3fi0 h GLN 80 N 8.10 0.07 0.00 2.79 4.15 -1.52 -1.02 115.11 127.68 3fi0 h GLN 80 Ca -0.37 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.05 3fi0 h GLN 80 Cb 1.18 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.85 3fi0 h GLN 80 CO 0.58 0.05 -0.00 0.66 -1.93 0.00 0.00 178.83 178.19 3fi0 h SER 81 N 0.07 0.00 0.44 -0.69 4.64 -1.95 -1.89 113.55 114.16 3fi0 h SER 81 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3fi0 h SER 81 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3fi0 h SER 81 CO -0.72 0.00 -0.04 -0.62 -0.87 0.00 0.00 176.83 174.59 3fi0 n GLU 82 N -3.31 0.58 -3.96 4.77 1.02 -0.39 -4.39 120.64 114.97 3fi0 n GLU 82 Ca -0.03 -0.08 -0.32 0.00 -0.02 0.00 0.00 57.16 56.71 3fi0 n GLU 82 Cb 0.08 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.86 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 -2.48 2.54 0.39 2.62 1.01 -0.71 -4.96 120.40 118.81 3fi0 s VAL 83 Ca 0.31 -2.28 0.21 0.00 0.00 0.00 0.00 61.98 60.22 3fi0 s VAL 83 Cb 0.20 -2.83 0.22 0.00 0.00 0.00 0.00 36.38 33.97 3fi0 s VAL 83 CO 0.46 -0.62 1.98 -0.65 0.00 0.00 0.00 175.10 176.26 3fi0 h PRO 84 N 7.72 0.00 -0.31 2.72 0.11 -1.81 -2.74 132.00 137.69 3fi0 h PRO 84 Ca -0.06 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.14 3fi0 h PRO 84 Cb 1.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3fi0 h PRO 84 CO 0.57 0.20 0.57 0.00 -0.21 0.00 0.00 178.00 179.12 3fi0 h ALA 85 N 1.80 1.94 0.01 -0.75 0.00 -1.93 -0.40 119.26 119.93 3fi0 h ALA 85 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fi0 h ALA 85 Cb 0.44 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3fi0 h ALA 85 CO 0.03 -0.72 -0.00 0.45 0.00 0.00 0.00 179.25 179.00 3fi0 h HIS 86 N 0.00 -0.01 0.00 0.00 3.86 -1.82 -0.61 115.15 116.57 3fi0 h HIS 86 Ca 0.14 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 3fi0 h HIS 86 Cb 1.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.75 3fi0 h HIS 86 CO 0.00 0.44 0.00 0.00 0.86 0.00 0.00 177.93 179.23 3fi0 h ALA 87 N 0.52 1.00 0.05 2.45 0.00 -1.29 -1.76 119.26 120.22 3fi0 h ALA 87 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fi0 h ALA 87 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3fi0 h ALA 87 CO 0.00 0.00 -0.02 1.96 0.00 0.00 0.00 179.25 181.19 3fi0 h GLN 88 N 0.00 -0.07 -0.38 0.00 4.20 -1.37 -2.93 115.11 114.57 3fi0 h GLN 88 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 3fi0 h GLN 88 Cb 0.67 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 3fi0 h GLN 88 CO 0.00 0.40 0.08 0.00 -0.67 0.00 0.00 178.83 178.64 3fi0 h ALA 89 N -0.47 1.43 -0.21 3.87 0.00 -1.14 -2.27 119.26 120.47 3fi0 h ALA 89 Ca -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3fi0 h ALA 89 Cb 0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3fi0 h ALA 89 CO 0.01 0.41 -0.03 0.00 0.00 0.00 0.00 179.25 179.65 3fi0 h ALA 90 N 1.54 1.58 0.00 0.00 0.00 -1.42 -1.51 119.26 119.45 3fi0 h ALA 90 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3fi0 h ALA 90 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3fi0 h ALA 90 CO -0.00 0.31 0.00 1.87 0.00 0.00 0.00 179.25 181.43 3fi0 n TRP 91 N -4.34 0.00 0.00 0.00 -0.00 -0.85 -1.86 117.44 110.39 3fi0 n TRP 91 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 57.50 57.45 3fi0 n TRP 91 Cb 0.21 -0.08 0.00 0.00 -0.00 0.00 0.00 31.31 31.44 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 0.34 0.00 0.28 5.87 4.77 -0.57 -2.23 117.00 125.46 3fi0 n LEU 93 Ca 0.00 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.14 3fi0 n LEU 93 Cb 0.16 0.00 0.76 0.00 -2.33 0.00 0.00 43.42 42.01 3fi0 n LEU 93 CO 0.00 0.00 0.99 -0.61 -1.33 0.00 0.00 177.39 176.44 3fi0 h GLN 94 N 0.00 0.00 0.00 3.23 4.15 -1.63 -1.14 115.11 119.72 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 0.08 -0.33 0.00 -1.93 0.00 0.00 178.83 176.65 3fi0 n ILE 96 N -2.44 0.00 -1.88 0.00 -5.35 -0.88 -4.99 119.36 103.83 3fi0 n ILE 96 Ca 0.04 -0.29 -0.31 0.00 -0.27 0.00 0.00 62.75 61.91 3fi0 n ILE 96 Cb 0.47 0.32 0.02 0.00 -1.74 0.00 0.00 39.64 38.70 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 -2.83 4.35 0.10 7.28 0.11 -0.49 -5.06 120.40 123.87 3fi0 s VAL 97 Ca -0.03 0.86 0.04 0.00 -2.93 0.00 0.00 61.98 59.92 3fi0 s VAL 97 Cb 0.09 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 31.27 3fi0 s VAL 97 CO 0.56 -0.90 0.07 -0.31 -3.33 0.00 0.00 175.10 171.19 3fi0 s TYR 98 N -2.96 3.12 0.36 1.54 2.02 -1.26 -4.95 117.35 115.23 3fi0 s TYR 98 Ca 0.58 0.02 0.05 0.00 -0.37 0.00 0.00 57.07 57.35 3fi0 s TYR 98 Cb -0.12 -1.57 0.70 0.00 -0.40 0.00 0.00 41.96 40.57 3fi0 s TYR 98 CO 0.49 0.51 1.96 0.82 -1.57 0.00 0.00 175.55 177.75 3fi0 h ILE 99 N 2.52 1.16 -0.39 2.71 2.04 -1.97 -2.44 117.51 121.14 3fi0 h ILE 99 Ca -0.47 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 3fi0 h ILE 99 Cb 1.17 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 3fi0 h ILE 99 CO 0.64 0.20 0.19 1.23 0.00 0.00 0.00 178.15 180.40 3fi0 h GLY 100 N 0.73 0.60 0.36 5.37 0.00 -1.99 -0.12 103.07 108.03 3fi0 h GLY 100 Ca 0.14 -0.30 0.06 0.00 0.00 0.00 0.00 47.33 47.23 3fi0 h GLY 100 CO -0.01 0.28 -0.10 0.83 0.00 0.00 0.00 176.54 177.54 3fi0 h GLU 101 N 0.48 -0.04 -0.58 4.80 5.08 -1.86 0.93 114.58 123.40 3fi0 h GLU 101 Ca 0.13 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3fi0 h GLU 101 Cb 0.12 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 3fi0 h GLU 101 CO -0.02 -0.03 0.36 -0.07 -1.00 0.00 0.00 179.01 178.25 3fi0 h LEU 102 N -0.05 0.69 -0.33 1.33 3.38 -1.20 -2.98 115.31 116.15 3fi0 h LEU 102 Ca 0.14 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3fi0 h LEU 102 Cb 0.26 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3fi0 h LEU 102 CO -0.32 0.53 0.05 -0.33 0.09 0.00 0.00 178.44 178.46 3fi0 h GLU 103 N 0.78 0.55 -5.53 1.13 5.08 -0.49 -3.45 114.58 112.65 3fi0 h GLU 103 Ca 0.21 -0.15 -0.35 0.00 -1.00 0.00 0.00 59.36 58.07 3fi0 h GLU 103 Cb -0.03 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3fi0 h GLU 103 CO -0.04 0.64 1.25 0.54 -1.00 0.00 0.00 179.01 180.40 3fi0 n ARG 104 N -4.60 0.90 -0.00 2.33 1.74 0.27 -4.97 116.66 112.33 3fi0 n ARG 104 Ca -0.02 -0.21 -0.03 0.00 -0.77 0.00 0.00 57.85 56.82 3fi0 n ARG 104 Cb 0.22 -3.47 -0.01 0.00 -1.02 0.00 0.00 32.46 28.18 3fi0 n ARG 104 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3fi0 n THR 106 N 8.18 1.27 0.00 0.55 -1.04 -1.26 -5.09 114.28 116.89 3fi0 n THR 106 Ca 0.40 0.30 0.00 0.00 -2.04 0.00 0.00 64.05 62.71 3fi0 n THR 106 Cb 0.51 -1.85 0.00 0.00 -1.82 0.00 0.00 70.33 67.17 3fi0 n THR 106 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fi0 n GLN 107 N -3.80 2.83 0.00 -2.82 6.02 -1.26 -5.26 117.38 113.09 3fi0 n GLN 107 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 3fi0 n GLN 107 Cb 0.19 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.45 3fi0 n GLN 107 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3fi0 n VAL 118 N 0.00 0.00 -1.93 5.09 0.31 -1.26 -5.17 118.33 115.37 3fi0 n VAL 118 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 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 -0.55 -1.32 0.00 0.00 176.83 174.96 3fi0 s SER 119 N 0.00 6.55 0.64 4.52 0.15 -1.26 -4.85 113.70 119.45 3fi0 s SER 119 Ca 0.00 2.75 0.42 0.00 0.70 0.00 0.00 55.95 59.82 3fi0 s SER 119 Cb 0.00 -2.62 2.20 0.00 -1.71 0.00 0.00 66.02 63.89 3fi0 s SER 119 CO 0.00 -0.78 2.30 0.00 1.20 0.00 0.00 173.24 175.95 3fi0 h ALA 120 N 5.17 1.03 0.00 5.45 0.00 -2.02 -1.30 119.26 127.60 3fi0 h ALA 120 Ca -0.46 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3fi0 h ALA 120 Cb 1.22 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3fi0 h ALA 120 CO 0.80 0.00 -0.11 0.78 0.00 0.00 0.00 179.25 180.72 3fi0 h GLY 121 N 0.38 0.00 2.00 0.00 0.00 -1.88 -1.40 103.07 102.17 3fi0 h GLY 121 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fi0 h GLY 121 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 3fi0 n LEU 122 N -3.57 0.31 -0.04 3.11 4.32 -0.49 -2.33 117.00 118.31 3fi0 n LEU 122 Ca -0.02 0.55 -0.03 0.00 -0.02 0.00 0.00 56.01 56.50 3fi0 n LEU 122 Cb 0.24 -0.48 -0.08 0.00 -1.62 0.00 0.00 43.42 41.48 3fi0 n LEU 122 CO 0.29 -0.24 -0.79 -0.11 -1.22 0.00 0.00 177.39 175.33 3fi0 n LEU 123 N -1.82 0.00 -0.54 2.23 7.94 -0.61 -4.73 117.00 119.47 3fi0 n LEU 123 Ca 0.05 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 55.03 3fi0 n LEU 123 Cb 0.28 0.20 0.03 0.00 0.53 0.00 0.00 43.42 44.46 3fi0 n LEU 123 CO 0.22 0.20 0.39 0.35 -1.11 0.00 0.00 177.39 177.44 3fi0 n THR 124 N -2.27 0.00 0.30 1.96 -2.24 -0.74 -4.56 114.28 106.74 3fi0 n THR 124 Ca -0.13 -0.40 0.18 0.00 -2.27 0.00 0.00 64.05 61.43 3fi0 n THR 124 Cb 0.71 1.28 0.84 0.00 -2.10 0.00 0.00 70.33 71.06 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 2.67 0.00 -0.40 4.78 -0.00 -1.73 -3.24 116.97 119.06 3fi0 h TYR 125 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.70 3fi0 h TYR 125 Cb 0.67 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.38 3fi0 h TYR 125 CO 0.00 0.00 0.12 -1.35 -0.00 0.00 0.00 178.16 176.93 3fi0 h PRO 126 N 0.00 0.58 0.00 0.10 0.11 -1.88 -2.21 132.00 128.70 3fi0 h PRO 126 Ca 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3fi0 h PRO 126 Cb 0.31 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.32 3fi0 h PRO 126 CO 0.00 0.51 0.00 -1.35 -0.21 0.00 0.00 178.00 176.95 3fi0 h PRO 127 N 0.57 0.00 -0.99 1.05 0.11 -1.91 -0.72 132.00 130.11 3fi0 h PRO 127 Ca 0.14 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.23 3fi0 h PRO 127 Cb 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 3fi0 h PRO 127 CO -0.01 0.00 0.02 -0.11 -0.21 0.00 0.00 178.00 177.69 3fi0 n LEU 128 N -2.66 2.45 0.00 2.35 7.94 -0.83 -1.46 117.00 124.79 3fi0 n LEU 128 Ca 0.04 -1.24 0.00 0.00 -1.11 0.00 0.00 56.01 53.70 3fi0 n LEU 128 Cb 0.40 -0.52 0.00 0.00 0.53 0.00 0.00 43.42 43.84 3fi0 n LEU 128 CO 0.29 0.43 0.00 0.00 -1.11 0.00 0.00 177.39 177.00 3fi0 n ALA 130 N 0.26 0.00 -0.25 1.96 0.00 -0.28 -0.54 120.51 121.66 3fi0 n ALA 130 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.46 3fi0 n ALA 130 Cb 0.46 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.02 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 0.96 -0.59 0.00 0.00 -1.52 0.51 119.26 118.64 3fi0 h ALA 131 Ca 0.00 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.04 3fi0 h ALA 131 Cb 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 17.53 3fi0 h ALA 131 CO 0.00 0.10 -0.17 -0.44 0.00 0.00 0.00 179.25 178.74 3fi0 h ASP 132 N 0.75 -0.61 0.12 0.00 3.32 -1.08 -2.10 116.42 116.82 3fi0 h ASP 132 Ca 0.32 0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.54 3fi0 h ASP 132 Cb 0.19 0.39 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3fi0 h ASP 132 CO -0.18 -0.21 -0.06 0.40 -1.72 0.00 0.00 179.24 177.47 3fi0 h ILE 133 N -0.02 0.00 -1.13 0.35 2.04 -1.57 -3.37 117.51 113.81 3fi0 h ILE 133 Ca 0.28 -0.17 0.32 0.00 1.00 0.00 0.00 64.86 66.29 3fi0 h ILE 133 Cb 0.45 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.47 3fi0 h ILE 133 CO -0.61 0.00 0.80 -0.07 0.00 0.00 0.00 178.15 178.27 3fi0 h LEU 134 N -0.34 0.08 -1.99 1.44 3.38 -0.95 -2.50 115.31 114.44 3fi0 h LEU 134 Ca -0.02 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.08 3fi0 h LEU 134 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3fi0 h LEU 134 CO 0.03 0.01 0.28 -0.07 0.09 0.00 0.00 178.44 178.78 3fi0 h LEU 135 N 0.07 0.01 -3.13 1.67 3.38 -1.53 -2.46 115.31 113.32 3fi0 h LEU 135 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.53 3fi0 h LEU 135 Cb 2.08 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.83 3fi0 h LEU 135 CO -0.06 0.01 0.00 -1.22 0.09 0.00 0.00 178.44 177.25 3fi0 n TYR 136 N -4.42 1.08 -3.87 1.13 4.01 -0.94 -4.40 117.16 109.75 3fi0 n TYR 136 Ca 0.06 -0.67 -0.26 0.00 -0.16 0.00 0.00 57.90 56.88 3fi0 n TYR 136 Cb 0.47 -0.22 0.01 0.00 -0.31 0.00 0.00 39.34 39.29 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 0.45 -2.22 -4.77 7.72 4.13 -0.93 -4.90 115.26 114.74 3fi0 n ASN 137 Ca 0.21 -0.87 -0.38 0.00 1.68 0.00 0.00 54.58 55.22 3fi0 n ASN 137 Cb 0.78 -3.65 -0.04 0.00 -1.54 0.00 0.00 39.78 35.33 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 -3.60 3.63 -0.24 3.41 -4.23 -1.25 -4.62 115.64 108.74 3fi0 s THR 138 Ca 0.26 1.41 -0.07 0.00 -1.18 0.00 0.00 61.69 62.12 3fi0 s THR 138 Cb -0.14 -3.81 -0.17 0.00 1.34 0.00 0.00 72.50 69.72 3fi0 s THR 138 CO 0.85 0.16 -0.13 0.47 -0.54 0.00 0.00 174.62 175.43 3fi0 n ASP 139 N 0.48 1.98 -4.33 3.99 8.00 0.03 -4.17 116.55 122.54 3fi0 n ASP 139 Ca 0.02 0.12 -0.30 0.00 0.71 0.00 0.00 54.79 55.34 3fi0 n ASP 139 Cb 0.48 -0.67 -0.15 0.00 -0.02 0.00 0.00 41.12 40.75 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 -2.51 2.10 -0.18 0.53 1.01 -0.66 -1.25 121.20 120.25 3fi0 s ILE 140 Ca -0.34 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.02 3fi0 s ILE 140 Cb 0.10 -1.78 0.04 0.00 0.01 0.00 0.00 42.46 40.83 3fi0 s ILE 140 CO 0.59 0.43 -0.09 -0.69 0.00 0.00 0.00 174.94 175.19 3fi0 s VAL 141 N -0.74 1.43 -1.20 2.92 1.01 -0.39 -2.39 120.40 121.03 3fi0 s VAL 141 Ca 0.11 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 61.08 3fi0 s VAL 141 Cb -0.10 -1.52 0.08 0.00 0.00 0.00 0.00 36.38 34.83 3fi0 s VAL 141 CO 0.01 0.18 1.60 -2.16 0.00 0.00 0.00 175.10 174.73 3fi0 s PRO 142 N 1.50 3.87 0.08 2.72 0.04 -1.24 -1.77 135.00 140.20 3fi0 s PRO 142 Ca 0.00 -1.81 0.05 0.00 0.04 0.00 0.00 61.00 59.28 3fi0 s PRO 142 Cb -0.15 -5.42 -0.03 0.00 0.04 0.00 0.00 34.50 28.94 3fi0 s PRO 142 CO -0.08 -2.18 -0.13 0.14 0.04 0.00 0.00 177.00 174.79 3fi0 s VAL 143 N 4.10 1.10 0.00 -0.36 -7.23 -1.26 -4.94 120.40 111.81 3fi0 s VAL 143 Ca 0.50 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 3fi0 s VAL 143 Cb 0.02 -1.15 0.00 0.00 0.56 0.00 0.00 36.38 35.81 3fi0 s VAL 143 CO 0.01 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.12 3fi0 n GLY 144 N 1.10 -3.24 0.01 2.32 0.00 -1.26 -4.66 105.19 99.46 3fi0 n GLY 144 Ca -0.20 -1.29 0.12 0.00 0.00 0.00 0.00 46.02 44.65 3fi0 n GLY 144 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fi0 n GLU 145 N -1.37 0.04 0.00 1.61 -0.58 -1.26 -3.41 120.64 115.67 3fi0 n GLU 145 Ca 0.00 -0.03 0.11 0.00 -0.42 0.00 0.00 57.16 56.82 3fi0 n GLU 145 Cb 0.00 -1.50 0.52 0.00 -0.57 0.00 0.00 31.44 29.90 3fi0 n GLU 145 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3fi0 n ASP 146 N -1.45 0.00 -0.30 1.62 5.75 -1.26 -2.07 116.55 118.83 3fi0 n ASP 146 Ca 0.06 0.27 0.06 0.00 -0.01 0.00 0.00 54.79 55.17 3fi0 n ASP 146 Cb 0.34 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 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 -1.41 1.80 -0.30 0.11 1.13 -1.22 -4.63 117.38 112.86 3fi0 n GLN 147 Ca 0.08 -0.75 0.00 0.00 -1.94 0.00 0.00 57.00 54.40 3fi0 n GLN 147 Cb 0.23 -1.16 0.07 0.00 0.11 0.00 0.00 30.24 29.49 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 1.49 -0.04 -0.35 -1.09 3.64 -1.53 0.25 116.57 118.94 3fi0 h LYS 148 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3fi0 h LYS 148 Cb 0.43 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 3fi0 h LYS 148 CO 0.00 -0.02 0.05 0.37 -2.27 0.00 0.00 179.45 177.58 3fi0 h GLN 149 N -0.04 0.52 -0.43 1.90 4.15 -1.82 -1.45 115.11 117.95 3fi0 h GLN 149 Ca 0.36 -0.09 -0.11 0.00 0.77 0.00 0.00 58.65 59.57 3fi0 h GLN 149 Cb 0.60 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 3fi0 h GLN 149 CO -0.86 0.51 -0.18 0.45 -1.93 0.00 0.00 178.83 176.82 3fi0 h HIS 150 N 0.51 1.00 -0.32 3.99 3.86 -0.86 -2.79 115.15 120.54 3fi0 h HIS 150 Ca 0.12 -0.24 -0.09 0.00 -1.16 0.00 0.00 60.37 59.00 3fi0 h HIS 150 Cb 0.26 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 3fi0 h HIS 150 CO 0.01 1.02 -0.14 0.82 0.86 0.00 0.00 177.93 180.50 3fi0 h ILE 151 N 0.70 1.29 -0.36 2.45 1.08 -0.93 -1.86 117.51 119.88 3fi0 h ILE 151 Ca 0.10 -1.24 0.05 0.00 -0.39 0.00 0.00 64.86 63.38 3fi0 h ILE 151 Cb 0.74 1.41 -0.02 0.00 -3.07 0.00 0.00 36.82 35.88 3fi0 h ILE 151 CO 0.06 0.40 0.25 -0.33 -0.69 0.00 0.00 178.15 177.84 3fi0 h GLU 152 N 0.43 0.25 0.00 2.37 4.39 -1.29 -0.26 114.58 120.47 3fi0 h GLU 152 Ca 0.07 -0.01 -0.20 0.00 0.34 0.00 0.00 59.36 59.56 3fi0 h GLU 152 Cb 0.67 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 3fi0 h GLU 152 CO 0.04 0.16 -0.89 1.25 -1.16 0.00 0.00 179.01 178.42 3fi0 h LEU 153 N 0.26 0.31 0.00 1.33 5.85 -1.18 -1.77 115.31 120.10 3fi0 h LEU 153 Ca 0.16 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3fi0 h LEU 153 Cb 0.31 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3fi0 h LEU 153 CO -0.03 1.05 -0.02 0.71 -0.34 0.00 0.00 178.44 179.81 3fi0 h THR 154 N 0.13 0.00 0.08 1.05 1.35 -0.50 -2.12 112.91 112.91 3fi0 h THR 154 Ca -0.05 -0.65 -0.27 0.00 -0.55 0.00 0.00 66.41 64.89 3fi0 h THR 154 Cb 1.51 1.64 -0.01 0.00 -1.73 0.00 0.00 68.15 69.57 3fi0 h THR 154 CO 0.14 0.00 -1.29 0.03 -0.25 0.00 0.00 175.52 174.15 3fi0 h ARG 155 N 0.00 0.17 -0.20 4.72 3.08 -0.98 -2.74 114.38 118.43 3fi0 h ARG 155 Ca 0.00 -0.29 -0.21 0.00 0.07 0.00 0.00 59.98 59.55 3fi0 h ARG 155 Cb 0.83 0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.99 3fi0 h ARG 155 CO 0.00 1.08 -0.68 -0.44 -1.07 0.00 0.00 179.97 178.86 3fi0 h ASP 156 N 0.05 0.93 -0.30 7.04 3.32 -1.23 -2.47 116.42 123.75 3fi0 h ASP 156 Ca -0.14 -0.56 -0.07 0.00 0.02 0.00 0.00 57.03 56.28 3fi0 h ASP 156 Cb 1.93 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 41.20 3fi0 h ASP 156 CO 0.16 1.36 -0.07 -0.07 -1.72 0.00 0.00 179.24 178.90 3fi0 h LEU 157 N 0.58 0.58 0.68 1.55 3.38 -1.46 -0.71 115.31 119.92 3fi0 h LEU 157 Ca -0.02 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 3fi0 h LEU 157 Cb 1.30 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3fi0 h LEU 157 CO 0.14 0.81 -0.35 0.00 0.09 0.00 0.00 178.44 179.13 3fi0 h ALA 158 N 0.79 -0.96 -0.91 1.53 0.00 -1.55 -0.85 119.26 117.31 3fi0 h ALA 158 Ca 0.08 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.91 3fi0 h ALA 158 Cb 0.56 0.40 -0.14 0.00 0.00 0.00 0.00 17.79 18.60 3fi0 h ALA 158 CO 0.03 -1.04 -0.43 1.49 0.00 0.00 0.00 179.25 179.29 3fi0 h GLU 159 N -0.95 -0.04 -0.55 0.00 4.57 -1.42 0.49 114.58 116.68 3fi0 h GLU 159 Ca -0.09 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.05 3fi0 h GLU 159 Cb 0.74 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.32 3fi0 h GLU 159 CO 0.14 -0.03 0.18 -0.09 -1.18 0.00 0.00 179.01 178.03 3fi0 h ARG 160 N -0.04 0.81 -0.25 1.92 2.43 -1.00 -0.26 114.38 117.99 3fi0 h ARG 160 Ca 0.28 -0.14 -0.13 0.00 -0.81 0.00 0.00 59.98 59.17 3fi0 h ARG 160 Cb 0.55 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3fi0 h ARG 160 CO -0.92 0.70 -0.35 0.35 -1.51 0.00 0.00 179.97 178.24 3fi0 h PHE 161 N 0.79 0.84 -0.43 2.20 3.57 0.72 -2.69 116.94 121.95 3fi0 h PHE 161 Ca 0.18 -0.28 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 3fi0 h PHE 161 Cb 0.22 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3fi0 h PHE 161 CO 0.01 1.03 0.16 -0.91 -2.23 0.00 0.00 178.31 176.38 3fi0 h ASN 162 N 0.40 0.60 -0.59 0.41 2.35 0.12 0.09 115.58 118.95 3fi0 h ASN 162 Ca 0.03 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 3fi0 h ASN 162 Cb 0.94 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 39.12 3fi0 h ASN 162 CO 0.08 0.61 0.30 0.11 -1.65 0.00 0.00 177.43 176.89 3fi0 h LYS 163 N 0.54 0.88 0.09 0.81 1.57 -1.08 0.23 116.57 119.62 3fi0 h LYS 163 Ca 0.14 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3fi0 h LYS 163 Cb 0.21 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3fi0 h LYS 163 CO -0.01 0.68 -0.04 -0.09 -0.57 0.00 0.00 179.45 179.41 3fi0 h ARG 164 N 0.88 -0.12 0.00 3.15 1.12 -1.20 -3.40 114.38 114.82 3fi0 h ARG 164 Ca 0.22 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.10 3fi0 h ARG 164 Cb 0.09 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.07 3fi0 h ARG 164 CO -0.03 -0.05 -0.81 0.66 -3.11 0.00 0.00 179.97 176.63 3fi0 n TYR 165 N -4.86 0.11 0.00 2.20 4.02 -0.00 -5.07 117.16 113.56 3fi0 n TYR 165 Ca -0.02 0.03 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3fi0 n TYR 165 Cb 0.06 -0.27 0.00 0.00 -0.02 0.00 0.00 39.34 39.11 3fi0 n TYR 165 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fi0 n GLY 166 N 1.45 2.89 3.58 2.72 0.00 0.82 -5.00 105.19 111.65 3fi0 n GLY 166 Ca 0.04 -1.90 -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 -3.22 2.85 0.00 1.61 2.12 -1.21 -4.23 118.70 116.62 3fi0 s GLU 167 Ca 0.00 1.53 0.00 0.00 0.36 0.00 0.00 54.97 56.86 3fi0 s GLU 167 Cb 0.00 -4.39 0.00 0.00 0.26 0.00 0.00 34.13 30.00 3fi0 s GLU 167 CO 0.00 -2.43 0.00 -0.11 -0.54 0.00 0.00 175.26 172.18 3fi0 n LEU 168 N 12.57 0.37 -4.89 2.70 0.00 -1.26 -5.07 117.00 121.42 3fi0 n LEU 168 Ca 0.29 0.00 -0.31 0.00 0.00 0.00 0.00 56.01 55.99 3fi0 n LEU 168 Cb 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.86 3fi0 n LEU 168 CO 0.69 0.06 0.12 -0.36 0.00 0.00 0.00 177.39 177.90 3fi0 s PHE 169 N -1.54 3.46 -0.10 1.96 0.08 -1.26 -5.01 117.98 115.57 3fi0 s PHE 169 Ca 0.00 0.66 -0.13 0.00 0.12 0.00 0.00 56.93 57.58 3fi0 s PHE 169 Cb 0.00 -2.09 -0.05 0.00 -0.57 0.00 0.00 43.02 40.31 3fi0 s PHE 169 CO 0.00 0.33 0.31 0.99 -0.10 0.00 0.00 175.22 176.76 3fi0 s THR 170 N -1.79 5.25 -0.23 0.64 2.01 -1.26 -5.00 115.64 115.26 3fi0 s THR 170 Ca 0.43 0.60 -0.26 0.00 0.31 0.00 0.00 61.69 62.77 3fi0 s THR 170 Cb -0.11 -3.62 -0.00 0.00 0.01 0.00 0.00 72.50 68.77 3fi0 s THR 170 CO 0.25 0.49 0.90 -0.63 -0.69 0.00 0.00 174.62 174.94 3fi0 s ILE 171 N -0.32 4.79 0.39 1.82 1.09 -1.26 -4.80 121.20 122.91 3fi0 s ILE 171 Ca 0.19 1.73 0.01 0.00 -1.10 0.00 0.00 60.65 61.48 3fi0 s ILE 171 Cb -0.14 -4.18 -0.02 0.00 -1.06 0.00 0.00 42.46 37.06 3fi0 s ILE 171 CO 0.07 -0.09 0.60 -2.16 -0.10 0.00 0.00 174.94 173.27 3fi0 s PRO 172 N 2.84 3.30 0.02 2.79 0.04 -1.26 -4.86 135.00 137.86 3fi0 s PRO 172 Ca 0.38 -0.41 0.04 0.00 0.04 0.00 0.00 61.00 61.05 3fi0 s PRO 172 Cb -0.15 -2.62 -0.02 0.00 0.04 0.00 0.00 34.50 31.75 3fi0 s PRO 172 CO 0.08 -0.04 -0.11 -1.83 0.04 0.00 0.00 177.00 175.13 3fi0 s GLU 173 N -4.42 0.80 -0.31 4.56 -1.05 -0.38 -4.86 118.70 113.04 3fi0 s GLU 173 Ca 0.44 -0.57 -0.21 0.00 -0.15 0.00 0.00 54.97 54.48 3fi0 s GLU 173 Cb -0.10 -0.77 -0.01 0.00 -0.44 0.00 0.00 34.13 32.82 3fi0 s GLU 173 CO 0.37 0.20 0.68 0.00 0.95 0.00 0.00 175.26 177.45 3fi0 s ALA 174 N -0.64 3.53 -0.27 -0.84 0.00 -1.26 -1.27 121.76 121.01 3fi0 s ALA 174 Ca 0.01 -0.58 -0.22 0.00 0.00 0.00 0.00 51.96 51.17 3fi0 s ALA 174 Cb -0.06 -3.16 0.08 0.00 0.00 0.00 0.00 23.12 19.97 3fi0 s ALA 174 CO 0.00 -1.12 0.74 -0.98 0.00 0.00 0.00 175.76 174.41 3fi0 s ARG 175 N 2.72 0.76 -0.32 0.00 1.70 -0.73 -4.94 118.95 118.15 3fi0 s ARG 175 Ca 0.27 1.03 -0.10 0.00 -0.47 0.00 0.00 55.73 56.46 3fi0 s ARG 175 Cb -0.15 0.31 -0.00 0.00 -0.57 0.00 0.00 34.95 34.54 3fi0 s ARG 175 CO 0.12 -0.11 0.16 0.42 -1.08 0.00 0.00 175.30 174.81 3fi0 s ILE 176 N 0.77 4.63 0.00 4.99 1.01 -1.26 -3.70 121.20 127.64 3fi0 s ILE 176 Ca -0.03 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.16 3fi0 s ILE 176 Cb -0.05 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 39.03 3fi0 s ILE 176 CO -0.06 0.03 1.61 -2.65 0.00 0.00 0.00 174.94 173.86 3fi0 n PRO 177 N 4.99 0.84 -3.60 2.79 -0.02 -1.26 -5.10 135.00 133.63 3fi0 n PRO 177 Ca -0.14 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.17 3fi0 n PRO 177 Cb 0.49 -1.08 -0.14 0.00 -0.02 0.00 0.00 33.50 32.74 3fi0 n PRO 177 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3fi0 s ARG 182 N 0.31 0.11 0.79 -0.52 3.52 -1.26 -4.90 118.95 117.00 3fi0 s ARG 182 Ca 0.00 0.42 -0.08 0.00 -0.13 0.00 0.00 55.73 55.93 3fi0 s ARG 182 Cb 0.00 -0.68 0.12 0.00 -1.56 0.00 0.00 34.95 32.83 3fi0 s ARG 182 CO 0.00 -0.45 1.11 0.42 -0.81 0.00 0.00 175.30 175.57 3fi0 s ILE 183 N 2.31 2.14 0.20 4.11 -1.09 -1.26 -5.00 121.20 122.61 3fi0 s ILE 183 Ca 0.04 -0.26 -0.01 0.00 -2.23 0.00 0.00 60.65 58.19 3fi0 s ILE 183 Cb -0.14 -2.88 -0.04 0.00 -1.58 0.00 0.00 42.46 37.82 3fi0 s ILE 183 CO -0.09 0.00 0.39 -0.55 -1.23 0.00 0.00 174.94 173.47 3fi0 s SER 185 N -4.70 6.39 0.07 3.58 0.15 0.42 -4.63 113.70 114.98 3fi0 s SER 185 Ca 0.66 0.41 0.25 0.00 0.70 0.00 0.00 55.95 57.98 3fi0 s SER 185 Cb -0.07 -2.01 0.59 0.00 -1.71 0.00 0.00 66.02 62.81 3fi0 s SER 185 CO 0.47 -0.04 1.50 0.18 1.20 0.00 0.00 173.24 176.55 3fi0 n LEU 186 N -0.64 0.53 -0.07 3.45 4.77 -0.61 -3.37 117.00 121.06 3fi0 n LEU 186 Ca -0.05 0.23 -0.08 0.00 -0.03 0.00 0.00 56.01 56.09 3fi0 n LEU 186 Cb 0.54 -0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 41.26 3fi0 n LEU 186 CO 0.48 0.00 -0.96 1.33 -1.33 0.00 0.00 177.39 176.92 3fi0 n VAL 187 N -1.82 0.92 -3.77 4.08 0.24 -1.26 -4.77 118.33 111.94 3fi0 n VAL 187 Ca 0.05 -0.51 -0.37 0.00 -2.04 0.00 0.00 64.34 61.47 3fi0 n VAL 187 Cb 0.39 -0.77 -0.12 0.00 -1.47 0.00 0.00 33.84 31.87 3fi0 n VAL 187 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3fi0 s ASP 188 N -4.89 5.24 0.41 -1.34 -1.08 -1.25 -4.95 116.67 108.81 3fi0 s ASP 188 Ca -0.11 -1.60 0.22 0.00 -0.52 0.00 0.00 52.55 50.54 3fi0 s ASP 188 Cb 0.04 -1.83 1.20 0.00 -1.46 0.00 0.00 42.92 40.87 3fi0 s ASP 188 CO 0.50 -0.44 1.64 1.55 0.52 0.00 0.00 175.17 178.94 3fi0 h PRO 189 N 8.13 0.00 0.00 4.34 0.13 -1.85 -2.48 132.00 140.26 3fi0 h PRO 189 Ca -0.18 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.85 3fi0 h PRO 189 Cb 1.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 3fi0 h PRO 189 CO 0.65 0.00 -1.75 2.41 -0.23 0.00 0.00 178.00 179.08 3fi0 n THR 190 N -2.36 0.36 -2.64 1.56 -1.04 -1.26 -4.68 114.28 104.22 3fi0 n THR 190 Ca -0.01 -0.42 -0.35 0.00 -2.04 0.00 0.00 64.05 61.23 3fi0 n THR 190 Cb 0.19 -0.16 -0.05 0.00 -1.82 0.00 0.00 70.33 68.50 3fi0 n THR 190 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3fi0 s LYS 191 N -2.71 4.10 0.00 -2.82 1.02 -1.10 -4.97 119.74 113.25 3fi0 s LYS 191 Ca -0.06 1.33 0.00 0.00 0.02 0.00 0.00 55.97 57.27 3fi0 s LYS 191 Cb 0.07 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 3fi0 s LYS 191 CO 0.57 -0.17 0.00 1.17 -0.92 0.00 0.00 175.35 175.99 3fi0 n LYS 192 N -0.48 0.00 0.00 1.68 4.81 -1.26 -0.44 118.16 122.47 3fi0 n LYS 192 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 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 -0.07 3.14 2.88 -1.26 -4.02 113.62 114.29 3fi0 n SER 194 Ca 0.00 0.00 0.25 0.00 -1.33 0.00 0.00 58.87 57.79 3fi0 n SER 194 Cb 0.00 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.18 3fi0 n SER 194 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3fi0 h LYS 195 N 0.00 0.00 0.00 -1.46 2.10 -1.97 0.29 116.57 115.53 3fi0 h LYS 195 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3fi0 h LYS 195 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3fi0 h LYS 195 CO 0.00 0.00 0.00 0.43 -2.00 0.00 0.00 179.45 177.88 3fi0 n SER 196 N -4.12 0.00 -4.73 7.07 7.64 -1.26 -4.82 113.62 113.40 3fi0 n SER 196 Ca 0.14 -1.11 -0.42 0.00 1.01 0.00 0.00 58.87 58.50 3fi0 n SER 196 Cb 0.81 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.98 3fi0 n SER 196 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3fi0 s ASP 197 N -1.68 6.84 0.36 6.43 -1.08 0.10 -4.92 116.67 122.73 3fi0 s ASP 197 Ca 0.22 2.41 0.06 0.00 -0.52 0.00 0.00 52.55 54.72 3fi0 s ASP 197 Cb 0.10 -2.60 0.69 0.00 -1.46 0.00 0.00 42.92 39.65 3fi0 s ASP 197 CO 0.17 -0.60 1.91 -0.65 0.52 0.00 0.00 175.17 176.52 3fi0 h PRO 198 N 5.89 0.43 -5.30 4.34 0.11 -1.88 -3.38 132.00 132.21 3fi0 h PRO 198 Ca -0.44 -0.08 -0.65 0.00 0.11 0.00 0.00 66.00 64.94 3fi0 h PRO 198 Cb 1.21 -0.07 -0.15 0.00 0.11 0.00 0.00 31.00 32.11 3fi0 h PRO 198 CO 0.81 0.47 0.01 1.21 -0.21 0.00 0.00 178.00 180.29 3fi0 s ASN 199 N -6.78 6.33 0.00 -2.05 3.04 -1.26 -4.93 114.94 109.29 3fi0 s ASN 199 Ca -0.07 -0.09 0.21 0.00 0.04 0.00 0.00 52.86 52.95 3fi0 s ASN 199 Cb 0.16 -2.29 1.20 0.00 -1.54 0.00 0.00 41.25 38.78 3fi0 s ASN 199 CO 0.75 -0.57 1.63 -0.81 -3.04 0.00 0.00 177.10 175.07 3fi0 n PRO 200 N 5.89 0.57 0.00 0.43 -0.05 -1.26 -2.16 135.00 138.43 3fi0 n PRO 200 Ca -0.04 0.02 0.13 0.00 -0.05 0.00 0.00 63.50 63.57 3fi0 n PRO 200 Cb 0.49 -1.50 0.40 0.00 -0.05 0.00 0.00 33.50 32.83 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 -1.06 0.41 0.16 0.54 5.02 -1.26 -3.90 118.16 118.07 3fi0 n LYS 201 Ca 0.14 -0.21 0.12 0.00 -2.02 0.00 0.00 58.31 56.35 3fi0 n LYS 201 Cb 0.09 -1.50 0.23 0.00 -0.02 0.00 0.00 35.03 33.84 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 3.34 0.93 -2.27 7.82 0.00 -1.81 -3.40 119.26 123.88 3fi0 h ALA 202 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 3fi0 h ALA 202 Cb 0.47 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.11 3fi0 h ALA 202 CO 0.00 0.00 -0.69 1.52 0.00 0.00 0.00 179.25 180.08 3fi0 s TYR 203 N -3.19 0.67 -0.13 0.00 -0.85 -1.25 -1.57 117.35 111.04 3fi0 s TYR 203 Ca 0.07 -0.98 0.02 0.00 -0.52 0.00 0.00 57.07 55.66 3fi0 s TYR 203 Cb 0.08 -0.44 -0.00 0.00 0.38 0.00 0.00 41.96 41.98 3fi0 s TYR 203 CO 0.66 -0.27 -0.19 0.42 -1.52 0.00 0.00 175.55 174.65 3fi0 s ILE 204 N -3.69 2.41 0.33 -3.49 1.01 -1.26 -4.99 121.20 111.52 3fi0 s ILE 204 Ca 0.08 -0.88 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 3fi0 s ILE 204 Cb 0.06 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.51 3fi0 s ILE 204 CO -0.07 0.54 0.60 -0.89 0.00 0.00 0.00 174.94 175.12 3fi0 s THR 205 N 0.52 4.99 -0.49 2.92 2.01 -1.26 -0.20 115.64 124.14 3fi0 s THR 205 Ca -0.12 0.08 0.23 0.00 0.31 0.00 0.00 61.69 62.19 3fi0 s THR 205 Cb -0.17 -3.76 0.24 0.00 0.01 0.00 0.00 72.50 68.82 3fi0 s THR 205 CO 0.05 -0.42 1.69 0.18 -0.69 0.00 0.00 174.62 175.42 3fi0 n LEU 206 N -1.19 0.62 -0.72 4.42 4.77 -1.26 -2.38 117.00 121.26 3fi0 n LEU 206 Ca -0.01 0.66 0.07 0.00 -0.03 0.00 0.00 56.01 56.70 3fi0 n LEU 206 Cb 0.54 -0.59 0.13 0.00 -2.33 0.00 0.00 43.42 41.17 3fi0 n LEU 206 CO 0.48 -0.57 0.58 0.18 -1.33 0.00 0.00 177.39 176.73 3fi0 n LEU 207 N -2.20 2.73 -4.77 2.23 4.77 -1.26 -4.70 117.00 113.81 3fi0 n LEU 207 Ca 0.02 -1.51 -0.39 0.00 -0.03 0.00 0.00 56.01 54.11 3fi0 n LEU 207 Cb 0.21 -0.15 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3fi0 n LEU 207 CO 0.18 0.61 0.92 -1.81 -1.33 0.00 0.00 177.39 175.96 3fi0 s ASP 208 N -1.11 6.26 0.44 -1.43 1.11 -1.00 -5.01 116.67 115.92 3fi0 s ASP 208 Ca 0.24 2.56 -0.12 0.00 0.18 0.00 0.00 52.55 55.41 3fi0 s ASP 208 Cb 0.14 -2.63 -0.07 0.00 1.07 0.00 0.00 42.92 41.44 3fi0 s ASP 208 CO 0.20 -0.88 0.82 1.51 1.18 0.00 0.00 175.17 178.00 3fi0 s ASP 209 N -0.91 6.53 0.50 0.27 1.47 -1.26 -4.81 116.67 118.46 3fi0 s ASP 209 Ca 0.59 1.23 0.42 0.00 1.18 0.00 0.00 52.55 55.97 3fi0 s ASP 209 Cb -0.36 -2.37 1.62 0.00 -0.34 0.00 0.00 42.92 41.48 3fi0 s ASP 209 CO 0.45 -0.45 1.58 0.00 0.68 0.00 0.00 175.17 177.43 3fi0 h ALA 210 N 1.13 3.36 0.03 2.11 0.00 -1.97 0.16 119.26 124.09 3fi0 h ALA 210 Ca -0.47 0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.23 3fi0 h ALA 210 Cb 1.19 0.20 0.01 0.00 0.00 0.00 0.00 17.79 19.18 3fi0 h ALA 210 CO 0.63 -1.99 -1.01 -0.22 0.00 0.00 0.00 179.25 176.66 3fi0 h LYS 211 N 0.01 0.42 -0.07 0.00 3.64 -1.99 -2.49 116.57 116.08 3fi0 h LYS 211 Ca 0.91 -0.49 -0.10 0.00 -1.27 0.00 0.00 60.65 59.70 3fi0 h LYS 211 Cb 3.30 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 35.28 3fi0 h LYS 211 CO -0.23 1.15 -0.36 1.15 -2.27 0.00 0.00 179.45 178.89 3fi0 h THR 212 N 0.22 1.42 -0.12 1.00 2.02 -1.08 -1.42 112.91 114.95 3fi0 h THR 212 Ca -0.10 -1.76 0.04 0.00 0.77 0.00 0.00 66.41 65.36 3fi0 h THR 212 Cb 1.67 2.33 -0.05 0.00 -1.74 0.00 0.00 68.15 70.36 3fi0 h THR 212 CO 0.18 0.51 -0.19 0.40 0.37 0.00 0.00 175.52 176.79 3fi0 h ILE 213 N -0.12 0.51 -0.01 3.11 2.04 -1.42 0.28 117.51 121.91 3fi0 h ILE 213 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3fi0 h ILE 213 Cb 1.01 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 3fi0 h ILE 213 CO 0.07 0.00 0.00 -0.08 0.00 0.00 0.00 178.15 178.15 3fi0 h GLU 214 N -0.24 0.01 -0.63 2.37 4.81 -1.49 -1.22 114.58 118.18 3fi0 h GLU 214 Ca 0.10 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.24 3fi0 h GLU 214 Cb 0.39 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 3fi0 h GLU 214 CO -0.27 0.01 0.06 0.87 -0.73 0.00 0.00 179.01 178.95 3fi0 h LYS 215 N 0.00 1.08 -0.14 1.92 1.57 -0.98 -2.54 116.57 117.47 3fi0 h LYS 215 Ca 0.00 -0.31 -0.05 0.00 -1.87 0.00 0.00 60.65 58.42 3fi0 h LYS 215 Cb 0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3fi0 h LYS 215 CO -0.00 1.01 -0.13 0.87 -0.57 0.00 0.00 179.45 180.63 3fi0 h LYS 216 N 1.00 0.22 0.01 3.15 1.57 -0.34 -2.91 116.57 119.26 3fi0 h LYS 216 Ca 0.19 -0.05 -0.26 0.00 -1.87 0.00 0.00 60.65 58.66 3fi0 h LYS 216 Cb 0.49 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.79 3fi0 h LYS 216 CO 0.02 0.36 -1.03 0.82 -0.57 0.00 0.00 179.45 179.05 3fi0 h ILE 217 N 0.21 1.32 0.00 1.86 2.04 -0.87 -3.25 117.51 118.81 3fi0 h ILE 217 Ca 0.04 -2.35 -0.04 0.00 1.00 0.00 0.00 64.86 63.51 3fi0 h ILE 217 Cb 0.37 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 3fi0 h ILE 217 CO 0.02 0.72 -0.18 0.11 0.00 0.00 0.00 178.15 178.81 3fi0 h LYS 218 N 0.32 0.00 -4.80 2.37 1.57 -1.44 -3.49 116.57 111.10 3fi0 h LYS 218 Ca -0.12 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 57.96 3fi0 h LYS 218 Cb 1.68 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.80 3fi0 h LYS 218 CO 0.19 0.18 0.41 -1.12 -0.57 0.00 0.00 179.45 178.55 3fi0 s SER 219 N -6.13 6.40 -0.00 0.86 0.01 -1.10 -5.12 113.70 108.61 3fi0 s SER 219 Ca -0.00 -1.72 0.01 0.00 1.31 0.00 0.00 55.95 55.54 3fi0 s SER 219 Cb 0.11 -2.34 -0.01 0.00 0.21 0.00 0.00 66.02 63.99 3fi0 s SER 219 CO 0.61 -1.08 0.02 -1.20 0.41 0.00 0.00 173.24 172.00 3fi0 n SER 224 N 6.31 0.75 0.08 2.44 7.64 -1.26 -4.90 113.62 124.68 3fi0 n SER 224 Ca 0.05 -0.44 -0.17 0.00 1.01 0.00 0.00 58.87 59.32 3fi0 n SER 224 Cb 0.46 1.00 -0.09 0.00 -1.01 0.00 0.00 64.21 64.57 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 0.47 0.00 1.43 4.81 -2.07 -3.47 114.58 115.75 3fi0 h GLU 225 Ca 0.00 -0.59 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 3fi0 h GLU 225 Cb 0.01 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3fi0 h GLU 225 CO 0.00 1.23 0.00 0.41 -0.73 0.00 0.00 179.01 179.92 3fi0 n GLY 226 N 1.21 1.00 3.17 1.92 0.00 -1.26 -5.05 105.19 106.18 3fi0 n GLY 226 Ca -0.10 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 1.66 -0.92 2.61 2.01 -1.26 -4.60 115.64 113.13 3fi0 s THR 227 Ca 0.00 -0.83 -0.17 0.00 0.31 0.00 0.00 61.69 61.01 3fi0 s THR 227 Cb 0.00 -1.43 0.17 0.00 0.01 0.00 0.00 72.50 71.25 3fi0 s THR 227 CO 0.00 0.47 1.03 -0.63 -0.69 0.00 0.00 174.62 174.80 3fi0 s ILE 228 N 0.13 5.08 0.11 1.82 -1.09 -1.26 -4.96 121.20 121.03 3fi0 s ILE 228 Ca -0.08 -2.00 -0.16 0.00 -2.23 0.00 0.00 60.65 56.18 3fi0 s ILE 228 Cb -0.14 -4.68 0.03 0.00 -1.58 0.00 0.00 42.46 36.10 3fi0 s ILE 228 CO 0.04 -1.35 0.39 -0.13 -1.23 0.00 0.00 174.94 172.66 3fi0 s ARG 229 N 1.65 1.03 -0.36 2.79 0.52 -1.26 -4.64 118.95 118.69 3fi0 s ARG 229 Ca 0.28 -0.67 -0.15 0.00 -0.52 0.00 0.00 55.73 54.67 3fi0 s ARG 229 Cb -0.07 0.45 -0.01 0.00 0.52 0.00 0.00 34.95 35.85 3fi0 s ARG 229 CO -0.09 -0.39 0.36 -0.47 0.02 0.00 0.00 175.30 174.73 3fi0 s TYR 230 N -3.61 3.21 0.00 -0.53 5.04 -1.26 -4.68 117.35 115.51 3fi0 s TYR 230 Ca 0.02 -0.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.53 3fi0 s TYR 230 Cb 0.02 -2.69 0.00 0.00 0.35 0.00 0.00 41.96 39.64 3fi0 s TYR 230 CO -0.11 -0.48 0.00 0.41 -1.34 0.00 0.00 175.55 174.04 3fi0 n GLY 237 N 5.00 0.00 0.39 8.97 0.00 -1.26 -5.08 105.19 113.22 3fi0 n GLY 237 Ca -0.09 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.14 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 0.61 0.00 -0.61 1.08 -1.98 -2.55 117.51 114.06 3fi0 h ILE 238 Ca 0.00 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.36 3fi0 h ILE 238 Cb 0.00 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 3fi0 h ILE 238 CO 0.00 0.00 -1.36 -1.20 -0.69 0.00 0.00 178.15 174.90 3fi0 n SER 239 N -4.17 0.77 -0.15 1.72 7.64 -1.26 -1.29 113.62 116.87 3fi0 n SER 239 Ca 0.10 0.32 -0.03 0.00 1.01 0.00 0.00 58.87 60.28 3fi0 n SER 239 Cb 0.65 0.41 0.05 0.00 -1.01 0.00 0.00 64.21 64.31 3fi0 n SER 239 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 3fi0 h ASN 240 N 0.00 -0.19 -0.75 6.43 -1.24 -1.88 -2.41 115.58 115.54 3fi0 h ASN 240 Ca -0.11 0.11 -0.06 0.00 0.71 0.00 0.00 56.30 56.95 3fi0 h ASN 240 Cb 1.38 0.20 -0.03 0.00 0.73 0.00 0.00 38.32 40.60 3fi0 h ASN 240 CO 0.03 -0.06 0.25 -0.07 -1.29 0.00 0.00 177.43 176.28 3fi0 h LEU 241 N 0.12 1.09 -0.23 0.34 4.07 -0.93 0.08 115.31 119.84 3fi0 h LEU 241 Ca 0.24 -0.20 -0.02 0.00 0.08 0.00 0.00 57.88 57.97 3fi0 h LEU 241 Cb 0.35 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 3fi0 h LEU 241 CO -0.39 1.00 0.06 -0.07 -1.08 0.00 0.00 178.44 177.96 3fi0 h LEU 242 N 1.12 0.35 -0.38 1.67 3.38 -1.23 0.27 115.31 120.49 3fi0 h LEU 242 Ca 0.24 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 58.06 3fi0 h LEU 242 Cb 0.30 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.87 3fi0 h LEU 242 CO -0.01 0.49 -0.22 0.78 0.09 0.00 0.00 178.44 179.58 3fi0 h ASN 243 N 0.20 -0.73 -0.04 -0.43 2.35 -1.04 0.59 115.58 116.48 3fi0 h ASN 243 Ca 0.07 0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3fi0 h ASN 243 Cb 0.28 0.38 -0.00 0.00 0.05 0.00 0.00 38.32 39.03 3fi0 h ASN 243 CO 0.00 -0.25 0.02 0.40 -1.65 0.00 0.00 177.43 175.95 3fi0 h ILE 244 N -0.15 1.13 0.28 2.81 2.04 -0.79 -2.32 117.51 120.51 3fi0 h ILE 244 Ca 0.19 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 3fi0 h ILE 244 Cb 0.45 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 3fi0 h ILE 244 CO -0.48 0.10 -0.26 0.22 0.00 0.00 0.00 178.15 177.74 3fi0 h TYR 245 N -0.09 -0.69 -0.48 1.37 5.03 -0.20 -2.41 116.97 119.50 3fi0 h TYR 245 Ca 0.01 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.30 3fi0 h TYR 245 Cb 0.15 0.27 -0.02 0.00 1.55 0.00 0.00 36.73 38.68 3fi0 h TYR 245 CO -0.02 -0.38 0.21 0.66 -1.32 0.00 0.00 178.16 177.30 3fi0 h SER 246 N -0.57 0.61 0.30 -2.11 4.64 0.18 -0.40 113.55 116.20 3fi0 h SER 246 Ca -0.01 -0.06 -0.33 0.00 -0.47 0.00 0.00 61.79 60.92 3fi0 h SER 246 Cb 0.52 -0.15 0.03 0.00 -0.31 0.00 0.00 62.40 62.48 3fi0 h SER 246 CO -0.04 0.54 -1.49 0.71 -0.87 0.00 0.00 176.83 175.67 3fi0 h THR 247 N 0.67 1.27 -0.14 2.95 1.35 -1.42 -1.06 112.91 116.54 3fi0 h THR 247 Ca 0.17 -2.73 -0.14 0.00 -0.55 0.00 0.00 66.41 63.16 3fi0 h THR 247 Cb 0.10 3.00 -0.01 0.00 -1.73 0.00 0.00 68.15 69.52 3fi0 h THR 247 CO -0.02 0.83 -0.51 -0.07 -0.25 0.00 0.00 175.52 175.50 3fi0 h LEU 248 N 0.14 0.41 0.00 3.87 3.38 -1.36 -3.23 115.31 118.52 3fi0 h LEU 248 Ca -0.25 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 3fi0 h LEU 248 Cb 2.14 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.77 3fi0 h LEU 248 CO 0.26 0.85 -1.51 -1.54 0.09 0.00 0.00 178.44 176.59 3fi0 n SER 249 N -3.96 0.46 0.00 -0.43 3.41 -0.17 -4.98 113.62 107.95 3fi0 n SER 249 Ca -0.02 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 3fi0 n SER 249 Cb 0.56 1.11 0.00 0.00 -0.26 0.00 0.00 64.21 65.62 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 1.25 0.99 3.91 5.00 0.00 -0.43 -5.04 105.19 110.88 3fi0 n GLY 250 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.27 2.48 0.18 1.61 -0.21 -1.06 -4.98 119.66 117.42 3fi0 s GLN 251 Ca 0.00 -0.02 -0.00 0.00 0.02 0.00 0.00 55.36 55.36 3fi0 s GLN 251 Cb 0.00 -2.15 -0.04 0.00 1.00 0.00 0.00 33.01 31.82 3fi0 s GLN 251 CO 0.00 -1.10 0.36 -1.54 -2.12 0.00 0.00 175.29 170.89 3fi0 s SER 252 N -4.44 6.38 0.22 5.90 1.04 -1.26 -4.48 113.70 117.06 3fi0 s SER 252 Ca 0.58 0.36 -0.07 0.00 0.48 0.00 0.00 55.95 57.30 3fi0 s SER 252 Cb -0.11 -1.99 0.31 0.00 0.10 0.00 0.00 66.02 64.33 3fi0 s SER 252 CO 0.47 -0.01 1.80 0.40 0.98 0.00 0.00 173.24 176.87 3fi0 h ILE 253 N 1.61 0.91 -0.93 -1.02 2.04 -1.92 0.39 117.51 118.60 3fi0 h ILE 253 Ca -0.48 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.15 3fi0 h ILE 253 Cb 1.19 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 3fi0 h ILE 253 CO 0.69 0.12 0.59 -0.33 0.00 0.00 0.00 178.15 179.22 3fi0 h GLU 254 N 0.67 1.24 -0.03 2.37 3.07 -1.99 0.21 114.58 120.12 3fi0 h GLU 254 Ca 0.34 -0.09 -0.09 0.00 -0.50 0.00 0.00 59.36 59.01 3fi0 h GLU 254 Cb 0.29 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 3fi0 h GLU 254 CO -0.23 0.84 -0.42 1.49 -1.40 0.00 0.00 179.01 179.29 3fi0 h GLU 255 N 1.27 0.07 0.04 2.33 4.81 -1.45 -1.30 114.58 120.34 3fi0 h GLU 255 Ca 0.34 -0.03 -0.23 0.00 -0.13 0.00 0.00 59.36 59.31 3fi0 h GLU 255 Cb -0.11 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3fi0 h GLU 255 CO -0.07 0.48 -1.04 -0.07 -0.73 0.00 0.00 179.01 177.58 3fi0 h LEU 256 N 0.06 0.20 0.01 1.64 3.38 0.95 -2.24 115.31 119.31 3fi0 h LEU 256 Ca 0.00 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3fi0 h LEU 256 Cb 0.77 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3fi0 h LEU 256 CO 0.06 1.11 -0.00 -0.33 0.09 0.00 0.00 178.44 179.36 3fi0 h GLU 257 N 0.05 -0.01 -0.94 1.13 5.08 -0.53 -2.49 114.58 116.87 3fi0 h GLU 257 Ca -0.06 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.52 3fi0 h GLU 257 Cb 1.76 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.83 3fi0 h GLU 257 CO 0.15 0.49 -0.13 -2.13 -1.00 0.00 0.00 179.01 176.39 3fi0 n ARG 258 N -4.85 -0.08 0.20 2.33 0.63 -0.50 -2.26 116.66 112.13 3fi0 n ARG 258 Ca -0.09 1.45 0.09 0.00 -0.92 0.00 0.00 57.85 58.38 3fi0 n ARG 258 Cb 0.26 -2.22 0.31 0.00 0.45 0.00 0.00 32.46 31.26 3fi0 n ARG 258 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 3fi0 h GLN 259 N 0.00 0.00 -1.27 -0.14 4.15 -1.01 -3.28 115.11 113.56 3fi0 h GLN 259 Ca 0.50 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 59.37 3fi0 h GLN 259 Cb 0.89 0.00 -0.42 0.00 0.21 0.00 0.00 27.48 28.16 3fi0 h GLN 259 CO -0.94 0.25 -0.80 0.66 -1.93 0.00 0.00 178.83 176.07 3fi0 n TYR 260 N -3.28 3.00 -2.99 3.99 4.01 -0.96 -4.97 117.16 115.97 3fi0 n TYR 260 Ca 0.01 -2.87 -0.42 0.00 -0.16 0.00 0.00 57.90 54.46 3fi0 n TYR 260 Cb 0.52 -0.17 -0.05 0.00 -0.31 0.00 0.00 39.34 39.33 3fi0 n TYR 260 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3fi0 s GLU 261 N -3.52 3.79 0.00 -0.72 2.02 -1.22 -3.11 118.70 115.94 3fi0 s GLU 261 Ca 0.46 0.32 0.00 0.00 0.02 0.00 0.00 54.97 55.77 3fi0 s GLU 261 Cb 0.41 -3.79 0.00 0.00 0.10 0.00 0.00 34.13 30.85 3fi0 s GLU 261 CO -0.11 -0.79 0.00 0.41 0.02 0.00 0.00 175.26 174.79 3fi0 n GLY 262 N 4.49 1.66 3.77 -1.39 0.00 -1.26 -5.02 105.19 107.42 3fi0 n GLY 262 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3fi0 n GLY 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fi0 s LYS 263 N -0.05 3.38 0.14 1.61 -0.14 -1.18 -5.08 119.74 118.42 3fi0 s LYS 263 Ca 0.00 1.75 0.02 0.00 -1.36 0.00 0.00 55.97 56.38 3fi0 s LYS 263 Cb 0.00 -2.12 0.02 0.00 -1.68 0.00 0.00 37.83 34.05 3fi0 s LYS 263 CO 0.00 -0.86 0.20 0.41 -0.76 0.00 0.00 175.35 174.34 3fi0 n GLY 264 N 0.36 1.73 0.12 -3.33 0.00 -1.26 -4.58 105.19 98.22 3fi0 n GLY 264 Ca 0.11 -2.12 -0.03 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.05 0.01 -0.17 1.61 0.05 -1.98 -3.22 116.97 113.20 3fi0 h TYR 265 Ca -0.07 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.74 3fi0 h TYR 265 Cb 0.29 -0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.98 3fi0 h TYR 265 CO 0.00 0.72 -0.42 0.78 -1.05 0.00 0.00 178.16 178.19 3fi0 h GLY 266 N 2.15 -1.21 1.05 3.88 0.00 -1.99 0.37 103.07 107.31 3fi0 h GLY 266 Ca -0.01 0.70 -0.08 0.00 0.00 0.00 0.00 47.33 47.94 3fi0 h GLY 266 CO 0.09 -0.28 0.05 -0.39 0.00 0.00 0.00 176.54 176.02 3fi0 h VAL 267 N -0.40 1.26 -0.34 4.60 -1.51 -1.99 -1.38 116.25 116.49 3fi0 h VAL 267 Ca 0.03 -1.07 0.03 0.00 -1.23 0.00 0.00 66.70 64.47 3fi0 h VAL 267 Cb 0.50 0.79 -0.03 0.00 -2.13 0.00 0.00 31.29 30.42 3fi0 h VAL 267 CO -0.38 0.39 0.15 0.15 -1.23 0.00 0.00 177.57 176.66 3fi0 h PHE 268 N 0.91 0.28 -0.43 5.19 3.57 -1.48 0.11 116.94 125.09 3fi0 h PHE 268 Ca 0.17 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 3fi0 h PHE 268 Cb 0.49 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 3fi0 h PHE 268 CO 0.04 0.15 -0.02 0.87 -2.23 0.00 0.00 178.31 177.12 3fi0 h LYS 269 N 0.33 0.71 -0.14 1.11 1.57 -0.16 0.23 116.57 120.21 3fi0 h LYS 269 Ca 0.14 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 3fi0 h LYS 269 Cb 0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3fi0 h LYS 269 CO -0.11 0.74 -0.43 0.00 -0.57 0.00 0.00 179.45 179.07 3fi0 h ALA 270 N 1.32 1.00 -0.08 3.86 0.00 -0.61 -0.77 119.26 123.97 3fi0 h ALA 270 Ca 0.13 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 3fi0 h ALA 270 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3fi0 h ALA 270 CO 0.02 0.62 -0.37 -0.44 0.00 0.00 0.00 179.25 179.09 3fi0 h ASP 271 N 0.28 0.47 -0.27 0.00 3.32 -0.36 -3.21 116.42 116.65 3fi0 h ASP 271 Ca 0.02 -0.64 -0.07 0.00 0.02 0.00 0.00 57.03 56.36 3fi0 h ASP 271 Cb 0.88 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 3fi0 h ASP 271 CO 0.07 1.03 -0.06 0.25 -1.72 0.00 0.00 179.24 178.81 3fi0 h LEU 272 N -0.07 0.63 -1.88 1.55 5.85 -0.90 -2.32 115.31 118.17 3fi0 h LEU 272 Ca -0.02 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 3fi0 h LEU 272 Cb 1.01 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 3fi0 h LEU 272 CO 0.08 0.74 -0.13 0.00 -0.34 0.00 0.00 178.44 178.79 3fi0 h ALA 273 N 1.33 1.50 0.00 1.25 0.00 -1.18 -1.94 119.26 120.22 3fi0 h ALA 273 Ca 0.11 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 3fi0 h ALA 273 Cb 0.47 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3fi0 h ALA 273 CO 0.02 0.16 -1.22 1.96 0.00 0.00 0.00 179.25 180.18 3fi0 h GLN 274 N 0.00 0.00 0.00 0.00 1.08 -1.43 -2.59 115.11 112.17 3fi0 h GLN 274 Ca -0.00 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.02 3fi0 h GLN 274 Cb 0.28 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 3fi0 h GLN 274 CO 0.02 0.59 -0.82 -0.39 -0.95 0.00 0.00 178.83 177.28 3fi0 h VAL 275 N 0.00 1.54 0.06 -0.54 -1.51 -1.01 0.01 116.25 114.80 3fi0 h VAL 275 Ca -0.13 -2.68 -0.00 0.00 -1.23 0.00 0.00 66.70 62.66 3fi0 h VAL 275 Cb 1.73 2.46 0.00 0.00 -2.13 0.00 0.00 31.29 33.36 3fi0 h VAL 275 CO 0.08 0.77 -0.03 0.58 -1.23 0.00 0.00 177.57 177.75 3fi0 h VAL 276 N 0.04 1.25 -0.44 7.19 2.07 -1.45 -2.15 116.25 122.77 3fi0 h VAL 276 Ca -0.02 -1.11 0.05 0.00 0.82 0.00 0.00 66.70 66.44 3fi0 h VAL 276 Cb 1.44 1.96 -0.05 0.00 -1.52 0.00 0.00 31.29 33.13 3fi0 h VAL 276 CO 0.11 0.27 0.17 0.40 0.02 0.00 0.00 177.57 178.55 3fi0 h ILE 277 N -0.58 0.90 -0.88 4.57 2.04 -1.47 -0.35 117.51 121.73 3fi0 h ILE 277 Ca -0.01 -0.12 0.14 0.00 1.00 0.00 0.00 64.86 65.87 3fi0 h ILE 277 Cb 0.51 0.51 -0.09 0.00 -0.74 0.00 0.00 36.82 37.00 3fi0 h ILE 277 CO 0.01 0.07 0.49 -0.33 0.00 0.00 0.00 178.15 178.38 3fi0 h GLU 278 N 0.36 0.68 -0.03 2.37 4.39 -0.99 -1.78 114.58 119.57 3fi0 h GLU 278 Ca 0.20 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.79 3fi0 h GLU 278 Cb 0.17 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3fi0 h GLU 278 CO -0.18 0.45 -0.24 1.15 -1.16 0.00 0.00 179.01 179.02 3fi0 h THR 279 N 0.70 1.48 0.00 1.13 2.02 -0.59 -3.34 112.91 114.31 3fi0 h THR 279 Ca 0.48 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.90 3fi0 h THR 279 Cb 0.64 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 3fi0 h THR 279 CO -0.34 0.49 0.00 -0.07 0.37 0.00 0.00 175.52 175.97 3fi0 h LEU 280 N -0.36 0.00 -0.05 2.58 3.38 -0.96 -3.36 115.31 116.53 3fi0 h LEU 280 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3fi0 h LEU 280 Cb 0.92 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 3fi0 h LEU 280 CO 0.05 0.00 -0.01 -0.09 0.09 0.00 0.00 178.44 178.48 3fi0 h ARG 281 N 0.00 0.10 -0.53 1.13 2.43 -1.44 -0.71 114.38 115.36 3fi0 h ARG 281 Ca 0.00 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 3fi0 h ARG 281 Cb 0.75 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 3fi0 h ARG 281 CO 0.00 0.44 0.01 -1.00 -1.51 0.00 0.00 179.97 177.91 3fi0 h PRO 282 N -0.24 0.89 -0.62 0.20 0.13 -1.74 -1.96 132.00 128.66 3fi0 h PRO 282 Ca 0.01 -0.25 0.02 0.00 -0.87 0.00 0.00 66.00 64.92 3fi0 h PRO 282 Cb 0.40 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.39 3fi0 h PRO 282 CO 0.01 0.88 0.39 0.82 -0.23 0.00 0.00 178.00 179.86 3fi0 h ILE 283 N 0.83 1.10 -0.31 -3.56 2.04 -1.69 -2.42 117.51 113.49 3fi0 h ILE 283 Ca 0.16 -0.27 -0.12 0.00 1.00 0.00 0.00 64.86 65.63 3fi0 h ILE 283 Cb 0.47 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3fi0 h ILE 283 CO 0.02 0.14 -0.32 1.56 0.00 0.00 0.00 178.15 179.55 3fi0 h GLN 284 N 0.78 0.67 -0.10 2.37 4.20 -0.79 -0.62 115.11 121.60 3fi0 h GLN 284 Ca 0.25 -0.30 0.03 0.00 0.06 0.00 0.00 58.65 58.68 3fi0 h GLN 284 Cb -0.01 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 3fi0 h GLN 284 CO -0.09 0.90 -0.06 0.93 -0.67 0.00 0.00 178.83 179.84 3fi0 h GLU 285 N 0.57 -0.06 -0.41 1.46 5.08 -1.04 -1.99 114.58 118.18 3fi0 h GLU 285 Ca 0.06 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 3fi0 h GLU 285 Cb 0.82 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3fi0 h GLU 285 CO 0.07 -0.04 -0.20 0.00 -1.00 0.00 0.00 179.01 177.84 3fi0 h ARG 286 N -0.06 0.81 -0.78 2.33 3.08 -1.35 -2.83 114.38 115.58 3fi0 h ARG 286 Ca 0.06 -0.32 0.11 0.00 0.07 0.00 0.00 59.98 59.90 3fi0 h ARG 286 Cb 0.15 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.08 3fi0 h ARG 286 CO -0.14 0.94 0.41 -0.92 -1.07 0.00 0.00 179.97 179.19 3fi0 h TYR 287 N 0.71 0.73 -0.31 3.04 3.20 -0.73 -1.34 116.97 122.27 3fi0 h TYR 287 Ca 0.10 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.86 3fi0 h TYR 287 Cb 0.72 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3fi0 h TYR 287 CO 0.04 0.25 -0.39 0.45 -1.64 0.00 0.00 178.16 176.87 3fi0 h HIS 288 N 0.66 0.88 -0.30 -3.82 3.86 -1.16 -3.07 115.15 112.21 3fi0 h HIS 288 Ca 0.39 -0.26 -0.09 0.00 -1.16 0.00 0.00 60.37 59.25 3fi0 h HIS 288 Cb 0.44 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 3fi0 h HIS 288 CO -0.09 1.01 -0.20 0.45 0.86 0.00 0.00 177.93 179.96 3fi0 h HIS 289 N 0.61 0.60 0.00 2.45 3.86 -1.21 -2.70 115.15 118.77 3fi0 h HIS 289 Ca 0.05 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3fi0 h HIS 289 Cb 0.93 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.25 3fi0 h HIS 289 CO 0.05 0.71 0.00 0.91 0.86 0.00 0.00 177.93 180.46 3fi0 n TRP 290 N -4.15 0.00 0.00 2.45 7.02 -0.55 -1.70 117.44 120.51 3fi0 n TRP 290 Ca 0.00 -0.30 0.00 0.00 -1.02 0.00 0.00 57.50 56.18 3fi0 n TRP 290 Cb 0.38 -0.20 0.00 0.00 -2.42 0.00 0.00 31.31 29.07 3fi0 n TRP 290 CO 0.00 0.00 0.00 -0.85 -2.02 0.00 0.00 177.69 174.82 3fi0 n GLU 292 N 0.82 0.00 -3.41 -0.99 0.28 -1.02 -4.56 120.64 111.76 3fi0 n GLU 292 Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.73 3fi0 n GLU 292 Cb 0.28 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.12 3fi0 n GLU 292 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3fi0 s SER 293 N 0.00 6.38 0.00 -1.84 0.15 -0.69 -4.98 113.70 112.72 3fi0 s SER 293 Ca 0.00 0.57 0.20 0.00 0.70 0.00 0.00 55.95 57.42 3fi0 s SER 293 Cb 0.00 -2.08 0.53 0.00 -1.71 0.00 0.00 66.02 62.76 3fi0 s SER 293 CO 0.00 -0.20 1.45 -1.84 1.20 0.00 0.00 173.24 173.84 3fi0 n GLU 294 N -1.18 2.68 0.20 5.44 0.28 -1.26 -3.79 120.64 123.00 3fi0 n GLU 294 Ca -0.03 -2.45 0.08 0.00 -0.16 0.00 0.00 57.16 54.59 3fi0 n GLU 294 Cb 0.55 -1.49 0.27 0.00 1.43 0.00 0.00 31.44 32.20 3fi0 n GLU 294 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 3fi0 h GLU 295 N 3.81 0.00 0.61 3.44 4.57 -1.94 -3.12 114.58 121.96 3fi0 h GLU 295 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 3fi0 h GLU 295 Cb 0.93 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.52 3fi0 h GLU 295 CO 0.00 0.27 -0.29 1.25 -1.18 0.00 0.00 179.01 179.06 3fi0 h LEU 296 N 0.00 -0.69 -2.04 1.64 5.85 -1.80 0.02 115.31 118.28 3fi0 h LEU 296 Ca -0.00 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.77 3fi0 h LEU 296 Cb 1.00 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 3fi0 h LEU 296 CO 0.03 -0.43 0.15 0.44 -0.34 0.00 0.00 178.44 178.30 3fi0 h ASP 297 N -0.91 0.00 0.37 1.25 3.45 -1.80 -1.58 116.42 117.20 3fi0 h ASP 297 Ca -0.08 0.00 -0.20 0.00 0.43 0.00 0.00 57.03 57.17 3fi0 h ASP 297 Cb 0.66 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.42 3fi0 h ASP 297 CO 0.14 0.00 -0.84 -0.09 -1.57 0.00 0.00 179.24 176.88 3fi0 h ARG 298 N 0.00 0.35 -0.48 3.56 2.43 -1.39 -2.50 114.38 116.35 3fi0 h ARG 298 Ca 0.10 -0.34 -0.11 0.00 -0.81 0.00 0.00 59.98 58.82 3fi0 h ARG 298 Cb 0.40 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 3fi0 h ARG 298 CO -0.00 1.01 -0.13 0.28 -1.51 0.00 0.00 179.97 179.62 3fi0 h VAL 299 N 0.22 1.27 0.00 0.20 2.07 0.01 -2.54 116.25 117.47 3fi0 h VAL 299 Ca -0.05 -1.25 -0.14 0.00 0.82 0.00 0.00 66.70 66.08 3fi0 h VAL 299 Cb 1.45 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 3fi0 h VAL 299 CO 0.14 0.43 -0.67 -0.07 0.02 0.00 0.00 177.57 177.42 3fi0 h LEU 300 N 0.81 0.00 -0.03 2.57 3.38 -1.51 -1.13 115.31 119.39 3fi0 h LEU 300 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3fi0 h LEU 300 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3fi0 h LEU 300 CO 0.05 0.67 -0.00 0.44 0.09 0.00 0.00 178.44 179.69 3fi0 h ASP 301 N 0.00 0.06 -0.40 -0.43 3.32 -1.34 -0.96 116.42 116.67 3fi0 h ASP 301 Ca -0.01 -0.32 0.05 0.00 0.02 0.00 0.00 57.03 56.77 3fi0 h ASP 301 Cb 1.24 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.73 3fi0 h ASP 301 CO 0.09 0.37 0.14 -0.33 -1.72 0.00 0.00 179.24 177.78 3fi0 h GLU 302 N -0.26 0.29 -0.68 3.56 5.08 -1.40 -1.46 114.58 119.71 3fi0 h GLU 302 Ca 0.01 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3fi0 h GLU 302 Cb 0.34 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 3fi0 h GLU 302 CO 0.00 0.19 0.42 0.78 -1.00 0.00 0.00 179.01 179.40 3fi0 h GLY 303 N 0.30 0.98 2.00 -3.84 0.00 -1.06 -0.28 103.07 101.17 3fi0 h GLY 303 Ca 0.19 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 3fi0 h GLY 303 CO -0.19 0.25 -0.33 0.00 0.00 0.00 0.00 176.54 176.26 3fi0 h ALA 304 N 1.30 0.99 -0.01 3.60 0.00 -0.83 -1.58 119.26 122.73 3fi0 h ALA 304 Ca 0.28 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3fi0 h ALA 304 Cb 0.05 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3fi0 h ALA 304 CO -0.12 0.42 -0.27 1.49 0.00 0.00 0.00 179.25 180.77 3fi0 h GLU 305 N 0.00 0.21 -0.67 0.00 4.81 -0.65 0.09 114.58 118.37 3fi0 h GLU 305 Ca -0.00 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 58.94 3fi0 h GLU 305 Cb 0.88 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 3fi0 h GLU 305 CO 0.04 0.91 0.12 0.87 -0.73 0.00 0.00 179.01 180.22 3fi0 h LYS 306 N -0.41 1.09 -0.28 1.92 1.57 -1.07 -2.30 116.57 117.09 3fi0 h LYS 306 Ca -0.03 -0.28 -0.16 0.00 -1.87 0.00 0.00 60.65 58.30 3fi0 h LYS 306 Cb 0.99 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 3fi0 h LYS 306 CO 0.05 0.99 -0.46 0.00 -0.57 0.00 0.00 179.45 179.47 3fi0 h ALA 307 N 1.09 0.43 -0.54 3.86 0.00 -1.33 -3.02 119.26 119.74 3fi0 h ALA 307 Ca 0.20 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3fi0 h ALA 307 Cb 0.43 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3fi0 h ALA 307 CO 0.01 0.58 0.17 -0.91 0.00 0.00 0.00 179.25 179.10 3fi0 h ASN 308 N 0.55 0.74 0.79 0.00 -0.26 -0.89 -0.50 115.58 116.03 3fi0 h ASN 308 Ca 0.02 -0.11 -0.04 0.00 -0.56 0.00 0.00 56.30 55.61 3fi0 h ASN 308 Cb 1.06 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 38.12 3fi0 h ASN 308 CO 0.10 0.70 -0.48 -0.09 -1.06 0.00 0.00 177.43 176.61 3fi0 h ARG 309 N 0.79 -1.15 0.36 0.81 2.43 -1.38 0.23 114.38 116.48 3fi0 h ARG 309 Ca 0.18 0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 3fi0 h ARG 309 Cb 0.23 0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 3fi0 h ARG 309 CO -0.01 -0.76 -0.27 0.28 -1.51 0.00 0.00 179.97 177.70 3fi0 h VAL 310 N -1.19 0.44 -0.65 0.20 2.07 -1.44 -2.94 116.25 112.75 3fi0 h VAL 310 Ca -0.11 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 3fi0 h VAL 310 Cb 0.95 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3fi0 h VAL 310 CO 0.11 0.00 0.21 0.00 0.02 0.00 0.00 177.57 177.92 3fi0 h ALA 311 N -0.06 1.16 -0.24 1.67 0.00 -1.11 -2.80 119.26 117.89 3fi0 h ALA 311 Ca -0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3fi0 h ALA 311 Cb 0.54 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3fi0 h ALA 311 CO 0.01 0.59 0.04 0.77 0.00 0.00 0.00 179.25 180.65 3fi0 h SER 312 N 0.95 0.30 0.00 0.00 0.02 -0.52 -1.29 113.55 113.01 3fi0 h SER 312 Ca 0.21 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3fi0 h SER 312 Cb 0.25 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3fi0 h SER 312 CO -0.01 0.33 0.00 1.21 -1.14 0.00 0.00 176.83 177.22 3fi0 n GLU 313 N -4.38 0.74 0.00 3.45 4.07 -1.06 -1.81 120.64 121.64 3fi0 n GLU 313 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3fi0 n GLU 313 Cb 0.17 -1.18 0.00 0.00 -0.06 0.00 0.00 31.44 30.36 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 0.52 0.00 0.13 6.31 0.31 -0.49 -1.68 118.33 123.43 3fi0 n VAL 315 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 3fi0 n VAL 315 Cb 0.33 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.20 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 -0.51 -1.61 5.55 1.12 -1.62 -0.28 114.38 117.03 3fi0 h ARG 316 Ca 0.00 0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 3fi0 h ARG 316 Cb 0.00 0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.08 3fi0 h ARG 316 CO 0.00 -0.34 0.00 1.63 -3.11 0.00 0.00 179.97 178.15 3fi0 n LYS 317 N -5.40 0.20 0.00 0.20 5.02 -0.68 -1.28 118.16 116.22 3fi0 n LYS 317 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 3fi0 n LYS 317 Cb 0.31 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 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 0.84 0.00 0.03 1.97 1.02 -0.12 -1.99 120.64 122.39 3fi0 n GLU 319 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 3fi0 n GLU 319 Cb 0.09 0.00 0.22 0.00 -0.02 0.00 0.00 31.44 31.73 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 0.44 -1.00 3.49 5.75 -1.42 0.45 115.11 122.82 3fi0 h GLN 320 Ca 0.00 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.34 3fi0 h GLN 320 Cb 0.00 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.52 3fi0 h GLN 320 CO 0.00 0.67 0.00 0.00 -2.65 0.00 0.00 178.83 176.85 3fi0 n ALA 321 N -2.48 2.50 -1.96 3.38 0.00 -0.84 -4.80 120.51 116.31 3fi0 n ALA 321 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 3fi0 n ALA 321 Cb 0.40 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 0.92 3.76 0.00 0.00 0.12 -4.96 105.19 105.28 3fi0 n GLY 323 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 4.59 0.00 0.99 1.43 0.96 -4.87 118.68 121.79 3fi0 s LEU 324 Ca 0.00 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 3fi0 s LEU 324 Cb 0.00 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.56 3fi0 s LEU 324 CO 0.00 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.26 3fi0 n GLY 325 N 1.33 3.99 0.00 -3.19 0.00 -1.26 -4.62 105.19 101.44 3fi0 n GLY 325 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3fi0 n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86