#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 5.27 -0.06 -0.18 2.01 -1.26 -1.03 115.64 120.39 3fi0 s THR 3 Ca 0.00 0.53 0.05 0.00 0.31 0.00 0.00 61.69 62.59 3fi0 s THR 3 Cb 0.00 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.93 3fi0 s THR 3 CO 0.00 0.56 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.62 3fi0 s ILE 4 N -0.77 1.96 -0.13 1.82 1.01 0.24 -1.03 121.20 124.30 3fi0 s ILE 4 Ca 0.19 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.85 3fi0 s ILE 4 Cb -0.14 -1.67 0.02 0.00 0.01 0.00 0.00 42.46 40.67 3fi0 s ILE 4 CO 0.08 0.55 -0.16 0.12 0.00 0.00 0.00 174.94 175.52 3fi0 s PHE 5 N -0.02 2.20 -0.13 3.97 2.19 -0.85 -0.03 117.98 125.30 3fi0 s PHE 5 Ca -0.07 -1.12 0.02 0.00 0.33 0.00 0.00 56.93 56.09 3fi0 s PHE 5 Cb -0.14 -1.57 0.01 0.00 -1.31 0.00 0.00 43.02 40.01 3fi0 s PHE 5 CO 0.05 -0.57 -0.19 0.45 1.83 0.00 0.00 175.22 176.78 3fi0 s SER 6 N 1.12 2.81 -0.21 6.13 0.15 0.52 -3.99 113.70 120.23 3fi0 s SER 6 Ca -0.03 -0.53 -0.08 0.00 0.70 0.00 0.00 55.95 56.01 3fi0 s SER 6 Cb -0.14 -1.28 -0.04 0.00 -1.71 0.00 0.00 66.02 62.84 3fi0 s SER 6 CO -0.05 0.05 0.09 -0.83 1.20 0.00 0.00 173.24 173.70 3fi0 s GLY 7 N 0.92 1.92 -0.15 9.45 0.00 -1.26 -0.33 107.32 117.88 3fi0 s GLY 7 Ca -0.06 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 43.84 3fi0 s GLY 7 CO -0.02 0.21 -0.16 -0.42 0.00 0.00 0.00 173.10 172.71 3fi0 s ILE 8 N 0.71 1.71 -0.06 0.90 -1.09 0.95 -4.96 121.20 119.36 3fi0 s ILE 8 Ca 0.05 -0.73 -0.25 0.00 -2.23 0.00 0.00 60.65 57.49 3fi0 s ILE 8 Cb -0.13 -1.57 -0.20 0.00 -1.58 0.00 0.00 42.46 38.98 3fi0 s ILE 8 CO 0.02 0.48 1.03 -0.61 -1.23 0.00 0.00 174.94 174.63 3fi0 h GLN 9 N 7.87 -0.06 0.00 2.79 5.75 -1.86 -2.07 115.11 127.52 3fi0 h GLN 9 Ca -0.38 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.12 3fi0 h GLN 9 Cb 1.15 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.71 3fi0 h GLN 9 CO 0.55 0.52 0.00 0.25 -2.65 0.00 0.00 178.83 177.50 3fi0 n THR 15 N -4.82 0.00 0.96 2.39 -2.24 -1.26 -5.00 114.28 104.31 3fi0 n THR 15 Ca -0.09 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.80 3fi0 n THR 15 Cb 0.30 0.00 0.53 0.00 -2.10 0.00 0.00 70.33 69.06 3fi0 n THR 15 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3fi0 n ILE 16 N -1.15 0.37 0.11 2.28 -5.35 -0.25 -0.94 119.36 114.44 3fi0 n ILE 16 Ca 0.00 0.09 -0.20 0.00 -0.27 0.00 0.00 62.75 62.37 3fi0 n ILE 16 Cb 0.00 -0.73 -0.13 0.00 -1.74 0.00 0.00 39.64 37.04 3fi0 n ILE 16 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3fi0 h GLY 17 N 3.65 0.54 1.76 3.28 0.00 -1.94 -1.82 103.07 108.54 3fi0 h GLY 17 Ca 0.00 -1.26 -0.09 0.00 0.00 0.00 0.00 47.33 45.98 3fi0 h GLY 17 CO 0.00 1.10 -0.33 3.43 0.00 0.00 0.00 176.54 180.74 3fi0 h ASN 18 N 0.17 0.28 -0.50 0.19 2.35 -1.63 0.20 115.58 116.64 3fi0 h ASN 18 Ca -0.19 -0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.40 3fi0 h ASN 18 Cb 1.99 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 40.26 3fi0 h ASN 18 CO 0.24 0.60 0.06 0.22 -1.65 0.00 0.00 177.43 176.90 3fi0 h TYR 19 N 0.24 0.91 0.02 1.19 3.20 -1.10 0.15 116.97 121.58 3fi0 h TYR 19 Ca 0.03 -0.14 -0.36 0.00 3.14 0.00 0.00 58.73 61.40 3fi0 h TYR 19 Cb 0.70 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.68 3fi0 h TYR 19 CO 0.01 0.84 -2.03 -0.89 -1.64 0.00 0.00 178.16 174.45 3fi0 n ILE 20 N -4.38 1.57 0.29 1.81 5.41 -0.68 0.11 119.36 123.49 3fi0 n ILE 20 Ca 0.01 -0.36 -0.18 0.00 1.00 0.00 0.00 62.75 63.22 3fi0 n ILE 20 Cb 0.27 -1.82 -0.10 0.00 -0.71 0.00 0.00 39.64 37.28 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 -0.09 -1.26 0.00 7.39 0.00 -0.78 -3.32 103.07 105.02 3fi0 h GLY 21 Ca -0.52 0.59 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 3fi0 h GLY 21 CO -0.20 -0.37 -0.74 0.00 0.00 0.00 0.00 176.54 175.23 3fi0 n ALA 22 N -2.82 2.66 -0.11 3.60 0.00 -1.23 -1.46 120.51 121.16 3fi0 n ALA 22 Ca -0.12 -0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.03 3fi0 n ALA 22 Cb 0.46 0.33 -0.03 0.00 0.00 0.00 0.00 19.45 20.21 3fi0 n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3fi0 h LEU 23 N -0.17 0.76 -0.20 0.00 3.38 -0.57 -3.14 115.31 115.37 3fi0 h LEU 23 Ca -0.06 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3fi0 h LEU 23 Cb 0.66 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3fi0 h LEU 23 CO -0.04 1.04 0.00 -2.11 0.09 0.00 0.00 178.44 177.42 3fi0 n ARG 24 N -4.28 0.04 -0.05 1.13 1.85 0.31 -1.81 116.66 113.85 3fi0 n ARG 24 Ca -0.03 0.34 0.01 0.00 -1.00 0.00 0.00 57.85 57.17 3fi0 n ARG 24 Cb 0.44 -1.59 -0.15 0.00 -1.05 0.00 0.00 32.46 30.10 3fi0 n ARG 24 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3fi0 n GLN 25 N -1.68 0.76 0.05 2.89 0.00 -1.19 -4.16 117.38 114.06 3fi0 n GLN 25 Ca 0.02 -0.10 0.07 0.00 0.00 0.00 0.00 57.00 56.99 3fi0 n GLN 25 Cb 0.15 -1.48 0.30 0.00 0.00 0.00 0.00 30.24 29.21 3fi0 n GLN 25 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3fi0 n PHE 26 N -2.43 0.29 0.18 2.61 0.99 -0.75 0.01 117.46 118.35 3fi0 n PHE 26 Ca -0.16 0.13 0.03 0.00 -0.00 0.00 0.00 57.45 57.45 3fi0 n PHE 26 Cb 0.80 -0.70 0.16 0.00 -1.00 0.00 0.00 39.48 38.73 3fi0 n PHE 26 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3fi0 n VAL 27 N -1.77 1.58 0.00 -4.37 0.31 -1.26 -2.65 118.33 110.17 3fi0 n VAL 27 Ca 0.01 0.43 0.00 0.00 -0.01 0.00 0.00 64.34 64.78 3fi0 n VAL 27 Cb 0.11 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 3fi0 n VAL 27 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3fi0 n GLU 28 N -1.59 1.22 -0.01 5.55 1.02 0.10 -4.72 120.64 122.21 3fi0 n GLU 28 Ca 0.01 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.10 3fi0 n GLU 28 Cb 0.06 -0.98 0.16 0.00 -0.02 0.00 0.00 31.44 30.66 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 0.56 -0.06 -4.62 3.38 -1.49 -3.02 115.31 110.06 3fi0 h LEU 29 Ca 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3fi0 h LEU 29 Cb 0.96 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3fi0 h LEU 29 CO 0.00 0.83 0.15 0.00 0.09 0.00 0.00 178.44 179.51 3fi0 n GLN 30 N -4.09 0.01 0.00 1.13 10.64 -1.08 -0.49 117.38 123.49 3fi0 n GLN 30 Ca -0.01 0.37 0.11 0.00 -1.83 0.00 0.00 57.00 55.64 3fi0 n GLN 30 Cb 0.44 -1.67 -0.03 0.00 -0.86 0.00 0.00 30.24 28.12 3fi0 n GLN 30 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3fi0 n HIS 31 N -1.40 0.04 -0.14 2.61 8.25 -1.14 -4.28 115.22 119.16 3fi0 n HIS 31 Ca -0.00 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 3fi0 n HIS 31 Cb 0.15 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.10 3fi0 n HIS 31 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 3fi0 n GLU 32 N -1.64 -0.19 -4.14 -0.41 0.28 0.35 -5.04 120.64 109.84 3fi0 n GLU 32 Ca 0.03 -0.61 -0.11 0.00 -0.16 0.00 0.00 57.16 56.32 3fi0 n GLU 32 Cb 0.37 -0.93 -0.10 0.00 1.43 0.00 0.00 31.44 32.21 3fi0 n GLU 32 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3fi0 s TYR 33 N -0.17 0.81 -0.51 -1.84 1.51 -0.85 -4.62 117.35 111.69 3fi0 s TYR 33 Ca 0.00 -0.83 -0.20 0.00 -1.01 0.00 0.00 57.07 55.02 3fi0 s TYR 33 Cb 0.00 -0.48 0.05 0.00 -0.11 0.00 0.00 41.96 41.42 3fi0 s TYR 33 CO 0.00 -0.15 0.70 1.21 -1.11 0.00 0.00 175.55 176.20 3fi0 s ASN 34 N -2.70 6.26 -0.11 2.29 3.04 -0.19 -4.71 114.94 118.82 3fi0 s ASN 34 Ca 0.07 -0.74 -0.03 0.00 0.04 0.00 0.00 52.86 52.20 3fi0 s ASN 34 Cb 0.02 -2.33 -0.03 0.00 -1.54 0.00 0.00 41.25 37.37 3fi0 s ASN 34 CO -0.04 -0.97 0.00 0.00 -3.04 0.00 0.00 177.10 173.05 3fi0 s TYR 36 N -0.50 2.68 -0.46 0.00 2.02 0.95 -1.34 117.35 120.70 3fi0 s TYR 36 Ca 0.09 -1.13 0.00 0.00 -0.37 0.00 0.00 57.07 55.66 3fi0 s TYR 36 Cb -0.12 -1.81 0.12 0.00 -0.40 0.00 0.00 41.96 39.75 3fi0 s TYR 36 CO 0.02 -0.49 0.22 -0.06 -1.57 0.00 0.00 175.55 173.67 3fi0 s PHE 37 N 0.65 3.53 -0.24 2.71 0.40 0.95 -0.36 117.98 125.62 3fi0 s PHE 37 Ca -0.10 -2.78 -0.16 0.00 -0.60 0.00 0.00 56.93 53.29 3fi0 s PHE 37 Cb -0.16 -3.07 -0.03 0.00 0.51 0.00 0.00 43.02 40.26 3fi0 s PHE 37 CO 0.02 -0.90 0.43 0.00 0.70 0.00 0.00 175.22 175.47 3fi0 s ILE 39 N 1.86 4.14 -1.36 0.00 1.01 -0.19 -0.03 121.20 126.63 3fi0 s ILE 39 Ca 0.18 -0.07 -0.16 0.00 0.00 0.00 0.00 60.65 60.61 3fi0 s ILE 39 Cb -0.15 -4.75 0.07 0.00 0.01 0.00 0.00 42.46 37.64 3fi0 s ILE 39 CO 0.09 -1.56 1.93 1.33 0.00 0.00 0.00 174.94 176.73 3fi0 n VAL 40 N 6.09 3.78 0.28 2.92 0.24 -0.78 -0.77 118.33 130.09 3fi0 n VAL 40 Ca -0.01 -3.71 0.17 0.00 -2.04 0.00 0.00 64.34 58.75 3fi0 n VAL 40 Cb 0.47 -2.46 0.71 0.00 -1.47 0.00 0.00 33.84 31.08 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 6.84 0.00 1.09 -1.34 2.03 -1.93 -2.95 116.42 120.16 3fi0 h ASP 41 Ca 0.49 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.60 3fi0 h ASP 41 Cb 0.77 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.24 3fi0 h ASP 41 CO 1.63 0.02 -0.93 1.56 -1.03 0.00 0.00 179.24 180.48 3fi0 h GLN 42 N 0.00 0.00 -0.01 4.15 4.20 -1.95 -3.18 115.11 118.33 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 0.49 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 3fi0 h GLN 42 CO 0.00 0.80 -0.83 0.45 -0.67 0.00 0.00 178.83 178.59 3fi0 h HIS 43 N 0.00 0.30 -0.44 2.96 3.86 -1.93 -3.24 115.15 116.66 3fi0 h HIS 43 Ca -0.03 -0.16 0.02 0.00 -1.16 0.00 0.00 60.37 59.04 3fi0 h HIS 43 Cb 1.68 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 30.09 3fi0 h HIS 43 CO 0.00 0.94 0.29 0.00 0.86 0.00 0.00 177.93 180.03 3fi0 h ALA 44 N 1.01 1.74 0.00 2.45 0.00 -1.50 -1.89 119.26 121.08 3fi0 h ALA 44 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3fi0 h ALA 44 Cb 1.44 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3fi0 h ALA 44 CO 0.13 0.22 0.00 0.44 0.00 0.00 0.00 179.25 180.04 3fi0 n ILE 45 N -4.47 0.00 0.26 0.00 -5.35 -1.22 -2.91 119.36 105.66 3fi0 n ILE 45 Ca 0.04 0.00 0.14 0.00 -0.27 0.00 0.00 62.75 62.66 3fi0 n ILE 45 Cb 0.10 -0.25 0.60 0.00 -1.74 0.00 0.00 39.64 38.35 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 0.00 0.24 -2.02 7.28 1.35 -1.51 -3.43 112.91 114.82 3fi0 h THR 46 Ca 0.00 -0.75 -0.59 0.00 -0.55 0.00 0.00 66.41 64.52 3fi0 h THR 46 Cb 0.00 1.60 -0.13 0.00 -1.73 0.00 0.00 68.15 67.89 3fi0 h THR 46 CO 0.00 0.09 -0.65 0.68 -0.25 0.00 0.00 175.52 175.39 3fi0 s VAL 47 N -3.69 2.01 0.19 6.82 -7.23 -1.14 -4.54 120.40 112.80 3fi0 s VAL 47 Ca 0.01 -2.12 -0.31 0.00 -1.81 0.00 0.00 61.98 57.75 3fi0 s VAL 47 Cb 0.10 -2.74 -0.11 0.00 0.56 0.00 0.00 36.38 34.20 3fi0 s VAL 47 CO 0.58 -0.14 1.59 0.86 -0.31 0.00 0.00 175.10 177.69 3fi0 s TRP 48 N -2.75 3.01 0.01 2.82 -0.11 -1.26 -4.98 118.94 115.68 3fi0 s TRP 48 Ca 0.33 0.60 0.05 0.00 1.22 0.00 0.00 56.10 58.30 3fi0 s TRP 48 Cb 0.05 -3.97 -0.02 0.00 -1.50 0.00 0.00 33.47 28.04 3fi0 s TRP 48 CO 0.16 -3.58 -0.16 -0.65 -4.62 0.00 0.00 176.95 168.11 3fi0 s GLN 49 N 0.98 1.19 -0.11 5.86 -1.52 -1.26 -5.03 119.66 119.78 3fi0 s GLN 49 Ca 0.70 -0.64 -0.29 0.00 -1.95 0.00 0.00 55.36 53.18 3fi0 s GLN 49 Cb -0.45 -1.18 -0.01 0.00 -0.22 0.00 0.00 33.01 31.14 3fi0 s GLN 49 CO 0.33 0.32 0.97 0.34 -0.25 0.00 0.00 175.29 176.99 3fi0 s ASP 50 N -0.62 7.20 0.45 5.90 3.68 -1.26 -4.97 116.67 127.04 3fi0 s ASP 50 Ca 0.05 1.47 0.10 0.00 2.13 0.00 0.00 52.55 56.30 3fi0 s ASP 50 Cb -0.07 -2.54 1.00 0.00 -1.45 0.00 0.00 42.92 39.87 3fi0 s ASP 50 CO 0.00 -0.42 2.08 -0.65 0.13 0.00 0.00 175.17 176.31 3fi0 h PRO 51 N 7.11 0.36 0.02 4.34 0.11 -1.99 -1.26 132.00 140.69 3fi0 h PRO 51 Ca -0.31 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.77 3fi0 h PRO 51 Cb 1.15 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3fi0 h PRO 51 CO 0.85 0.24 -0.01 1.25 -0.21 0.00 0.00 178.00 180.12 3fi0 h HIS 52 N 0.38 -0.03 -0.39 0.65 -0.00 -1.99 -2.53 115.15 111.24 3fi0 h HIS 52 Ca 0.11 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.48 3fi0 h HIS 52 Cb 0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.40 3fi0 h HIS 52 CO -0.00 0.69 0.24 0.93 -0.00 0.00 0.00 177.93 179.79 3fi0 h GLU 53 N -0.81 0.52 0.73 5.26 4.39 -1.91 -0.36 114.58 122.40 3fi0 h GLU 53 Ca -0.00 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 3fi0 h GLU 53 Cb 0.73 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 29.27 3fi0 h GLU 53 CO 0.00 0.36 -0.35 1.25 -1.16 0.00 0.00 179.01 179.11 3fi0 h LEU 54 N 0.53 -0.83 -1.92 1.33 5.85 -1.26 0.28 115.31 119.29 3fi0 h LEU 54 Ca 0.14 0.01 0.15 0.00 0.84 0.00 0.00 57.88 59.02 3fi0 h LEU 54 Cb -0.03 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3fi0 h LEU 54 CO -0.03 -0.48 0.41 -0.09 -0.34 0.00 0.00 178.44 177.91 3fi0 h ARG 55 N -1.17 0.08 -0.01 1.25 9.65 -1.23 -0.78 114.38 122.17 3fi0 h ARG 55 Ca -0.10 -0.00 -0.25 0.00 -1.10 0.00 0.00 59.98 58.53 3fi0 h ARG 55 Cb 0.77 -0.02 0.01 0.00 -1.39 0.00 0.00 29.97 29.35 3fi0 h ARG 55 CO 0.16 0.05 -1.00 0.37 2.80 0.00 0.00 179.97 182.36 3fi0 h GLN 56 N 0.08 0.60 0.00 0.20 -0.00 -0.73 -3.21 115.11 112.04 3fi0 h GLN 56 Ca 0.27 -0.63 -0.10 0.00 -0.00 0.00 0.00 58.65 58.19 3fi0 h GLN 56 Cb 0.98 0.18 -0.01 0.00 0.00 0.00 0.00 27.48 28.62 3fi0 h GLN 56 CO -0.02 1.24 -0.49 -0.91 0.00 0.00 0.00 178.83 178.65 3fi0 h ASN 57 N 0.34 0.00 0.32 -0.69 2.35 0.94 -2.68 115.58 116.16 3fi0 h ASN 57 Ca -0.11 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 3fi0 h ASN 57 Cb 1.64 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.01 3fi0 h ASN 57 CO 0.19 0.49 -0.15 0.40 -1.65 0.00 0.00 177.43 176.71 3fi0 h ILE 58 N 0.00 0.70 -0.24 2.81 2.04 -1.35 -1.27 117.51 120.19 3fi0 h ILE 58 Ca -0.00 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.40 3fi0 h ILE 58 Cb 1.06 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 3fi0 h ILE 58 CO 0.06 0.10 -0.01 -0.09 0.00 0.00 0.00 178.15 178.22 3fi0 h ARG 59 N -0.71 0.07 -0.82 2.37 2.43 -1.61 -2.42 114.38 113.68 3fi0 h ARG 59 Ca -0.04 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.20 3fi0 h ARG 59 Cb 0.49 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.96 3fi0 h ARG 59 CO 0.07 0.04 0.49 -0.09 -1.51 0.00 0.00 179.97 178.98 3fi0 h ARG 60 N 0.07 0.85 -0.47 0.20 2.43 -1.47 -1.02 114.38 114.96 3fi0 h ARG 60 Ca 0.12 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 3fi0 h ARG 60 Cb 0.15 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 3fi0 h ARG 60 CO -0.20 0.56 -0.03 1.25 -1.51 0.00 0.00 179.97 180.04 3fi0 h LEU 61 N 0.87 0.84 -0.13 3.80 5.85 -0.91 -2.43 115.31 123.20 3fi0 h LEU 61 Ca 0.37 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3fi0 h LEU 61 Cb 0.24 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3fi0 h LEU 61 CO -0.20 0.97 0.04 0.00 -0.34 0.00 0.00 178.44 178.91 3fi0 h ALA 62 N 0.91 0.16 -0.15 1.25 0.00 -1.01 -1.59 119.26 118.84 3fi0 h ALA 62 Ca 0.13 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3fi0 h ALA 62 Cb 0.55 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3fi0 h ALA 62 CO 0.03 -0.22 0.13 0.00 0.00 0.00 0.00 179.25 179.18 3fi0 h ALA 63 N 0.86 1.96 0.14 0.00 0.00 -1.15 -0.89 119.26 120.17 3fi0 h ALA 63 Ca 0.04 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.67 3fi0 h ALA 63 Cb 0.21 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.02 3fi0 h ALA 63 CO -0.00 -0.20 -1.25 -0.07 0.00 0.00 0.00 179.25 177.72 3fi0 h LEU 64 N 0.00 0.50 -0.50 0.00 3.38 -1.04 0.12 115.31 117.77 3fi0 h LEU 64 Ca 0.07 -0.53 -0.17 0.00 0.09 0.00 0.00 57.88 57.35 3fi0 h LEU 64 Cb 0.32 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3fi0 h LEU 64 CO -0.00 1.40 -0.61 1.88 0.09 0.00 0.00 178.44 181.20 3fi0 h TYR 65 N 0.10 0.62 -0.17 1.13 -1.99 -0.62 0.28 116.97 116.33 3fi0 h TYR 65 Ca -0.15 -0.24 -0.18 0.00 2.00 0.00 0.00 58.73 60.17 3fi0 h TYR 65 Cb 1.97 -0.11 0.01 0.00 2.00 0.00 0.00 36.73 40.59 3fi0 h TYR 65 CO 0.07 0.97 -0.59 -0.07 -0.00 0.00 0.00 178.16 178.54 3fi0 h LEU 66 N 0.36 0.81 -1.14 3.88 3.38 -1.22 0.00 115.31 121.39 3fi0 h LEU 66 Ca -0.01 -0.60 -0.06 0.00 0.09 0.00 0.00 57.88 57.30 3fi0 h LEU 66 Cb 1.15 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3fi0 h LEU 66 CO 0.11 1.27 -0.07 0.00 0.09 0.00 0.00 178.44 179.84 3fi0 h ALA 67 N 0.55 1.29 0.00 1.53 0.00 -0.66 -2.83 119.26 119.14 3fi0 h ALA 67 Ca -0.03 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 3fi0 h ALA 67 Cb 1.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3fi0 h ALA 67 CO 0.12 0.47 -0.26 0.28 0.00 0.00 0.00 179.25 179.87 3fi0 h VAL 68 N 0.49 0.77 0.00 0.00 2.07 -0.88 -3.44 116.25 115.26 3fi0 h VAL 68 Ca 0.10 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.53 3fi0 h VAL 68 Cb 0.42 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3fi0 h VAL 68 CO 0.02 0.26 0.00 0.61 0.02 0.00 0.00 177.57 178.48 3fi0 n GLY 69 N -0.17 -0.08 3.71 2.17 0.00 -1.07 -4.92 105.19 104.82 3fi0 n GLY 69 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3fi0 n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fi0 s ILE 70 N -0.78 3.57 -0.35 -0.61 -1.09 -0.02 -4.71 121.20 117.21 3fi0 s ILE 70 Ca 0.00 1.08 -0.10 0.00 -2.23 0.00 0.00 60.65 59.40 3fi0 s ILE 70 Cb 0.00 -3.70 0.02 0.00 -1.58 0.00 0.00 42.46 37.20 3fi0 s ILE 70 CO 0.00 0.06 0.18 -0.62 -1.23 0.00 0.00 174.94 173.33 3fi0 s ASP 71 N 1.33 5.62 0.63 3.58 2.15 -1.26 -4.48 116.67 124.24 3fi0 s ASP 71 Ca 0.63 -0.86 0.41 0.00 0.43 0.00 0.00 52.55 53.16 3fi0 s ASP 71 Cb -0.34 -2.00 2.24 0.00 -0.30 0.00 0.00 42.92 42.52 3fi0 s ASP 71 CO 0.29 -0.32 2.26 1.55 -0.17 0.00 0.00 175.17 178.78 3fi0 h PRO 72 N 8.39 0.00 0.00 4.34 0.13 -1.94 0.82 132.00 143.74 3fi0 h PRO 72 Ca -0.27 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.81 3fi0 h PRO 72 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3fi0 h PRO 72 CO 0.65 0.00 -0.69 1.79 -0.23 0.00 0.00 178.00 179.52 3fi0 h THR 73 N 0.00 0.21 0.00 1.56 1.35 -1.99 -3.38 112.91 110.66 3fi0 h THR 73 Ca 0.00 -1.35 -0.27 0.00 -0.55 0.00 0.00 66.41 64.24 3fi0 h THR 73 Cb 0.04 1.88 -0.04 0.00 -1.73 0.00 0.00 68.15 68.30 3fi0 h THR 73 CO 0.00 0.12 -1.72 1.67 -0.25 0.00 0.00 175.52 175.34 3fi0 n GLN 74 N -2.92 0.56 -3.81 4.72 -0.06 0.93 -5.04 117.38 111.75 3fi0 n GLN 74 Ca -0.00 0.36 -0.24 0.00 -2.00 0.00 0.00 57.00 55.12 3fi0 n GLN 74 Cb 0.62 -1.57 -0.02 0.00 -4.06 0.00 0.00 30.24 25.21 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 -2.57 4.21 -0.27 1.69 0.00 0.25 -4.73 121.76 120.34 3fi0 s ALA 75 Ca -0.32 -1.58 -0.05 0.00 0.00 0.00 0.00 51.96 50.01 3fi0 s ALA 75 Cb 0.09 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.45 3fi0 s ALA 75 CO 0.48 -0.36 0.04 0.99 0.00 0.00 0.00 175.76 176.91 3fi0 s THR 76 N -2.66 3.71 -0.24 0.00 2.01 -0.45 -4.41 115.64 113.60 3fi0 s THR 76 Ca 0.40 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.72 3fi0 s THR 76 Cb -0.02 -2.87 0.04 0.00 0.01 0.00 0.00 72.50 69.67 3fi0 s THR 76 CO 0.24 0.17 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.99 3fi0 s LEU 77 N 1.47 3.04 0.22 4.42 2.96 -1.26 -0.03 118.68 129.50 3fi0 s LEU 77 Ca 0.03 -1.07 -0.05 0.00 -0.22 0.00 0.00 54.13 52.81 3fi0 s LEU 77 Cb -0.17 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 3fi0 s LEU 77 CO 0.00 -0.13 0.28 0.72 -1.32 0.00 0.00 176.35 175.90 3fi0 s PHE 78 N 1.21 0.86 -0.25 5.38 -0.71 -0.96 -4.18 117.98 119.32 3fi0 s PHE 78 Ca -0.03 -1.13 -0.10 0.00 -1.04 0.00 0.00 56.93 54.63 3fi0 s PHE 78 Cb -0.17 -0.26 -0.05 0.00 -1.21 0.00 0.00 43.02 41.33 3fi0 s PHE 78 CO -0.07 -0.79 0.16 0.42 -1.34 0.00 0.00 175.22 173.60 3fi0 s ILE 79 N -4.07 5.31 0.25 -4.49 1.01 -1.26 -1.02 121.20 116.93 3fi0 s ILE 79 Ca 0.32 0.16 -0.08 0.00 0.00 0.00 0.00 60.65 61.06 3fi0 s ILE 79 Cb 0.04 -3.48 0.31 0.00 0.01 0.00 0.00 42.46 39.34 3fi0 s ILE 79 CO 0.11 0.33 1.61 -0.61 0.00 0.00 0.00 174.94 176.39 3fi0 h GLN 80 N 7.66 0.05 0.00 2.79 4.15 -1.30 -0.66 115.11 127.81 3fi0 h GLN 80 Ca -0.37 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.04 3fi0 h GLN 80 Cb 1.17 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.85 3fi0 h GLN 80 CO 0.64 0.03 -0.02 0.66 -1.93 0.00 0.00 178.83 178.21 3fi0 h SER 81 N 0.05 0.00 0.78 -0.69 4.64 -1.95 -2.21 113.55 114.17 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 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3fi0 h SER 81 CO -0.75 0.02 0.00 -0.62 -0.87 0.00 0.00 176.83 174.60 3fi0 n GLU 82 N -3.69 0.17 -3.87 4.77 1.02 -0.25 -4.30 120.64 114.48 3fi0 n GLU 82 Ca -0.03 0.02 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 3fi0 n GLU 82 Cb 0.10 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.89 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 -2.82 2.92 0.52 2.62 1.01 -0.83 -4.96 120.40 118.85 3fi0 s VAL 83 Ca 0.19 -2.27 0.16 0.00 0.00 0.00 0.00 61.98 60.06 3fi0 s VAL 83 Cb 0.18 -3.04 0.27 0.00 0.00 0.00 0.00 36.38 33.79 3fi0 s VAL 83 CO 0.47 -0.67 2.15 -0.65 0.00 0.00 0.00 175.10 176.40 3fi0 h PRO 84 N 7.76 0.00 0.00 2.72 0.11 -1.80 -2.71 132.00 138.08 3fi0 h PRO 84 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3fi0 h PRO 84 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3fi0 h PRO 84 CO 0.63 0.00 0.28 0.00 -0.21 0.00 0.00 178.00 178.71 3fi0 h ALA 85 N 2.00 1.20 -0.07 -0.75 0.00 -1.92 -1.33 119.26 118.38 3fi0 h ALA 85 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3fi0 h ALA 85 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3fi0 h ALA 85 CO 0.00 -0.20 -0.26 0.45 0.00 0.00 0.00 179.25 179.24 3fi0 h HIS 86 N 0.00 0.40 0.00 0.00 3.86 -1.80 -2.14 115.15 115.47 3fi0 h HIS 86 Ca 0.00 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.03 3fi0 h HIS 86 Cb 0.56 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.96 3fi0 h HIS 86 CO 0.00 0.88 -0.04 0.00 0.86 0.00 0.00 177.93 179.62 3fi0 h ALA 87 N 0.44 0.97 0.07 2.45 0.00 -1.47 -2.22 119.26 119.50 3fi0 h ALA 87 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3fi0 h ALA 87 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3fi0 h ALA 87 CO 0.06 0.06 -0.03 1.96 0.00 0.00 0.00 179.25 181.29 3fi0 h GLN 88 N 0.00 -0.09 -0.20 0.00 4.20 -1.55 -2.74 115.11 114.73 3fi0 h GLN 88 Ca -0.00 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 3fi0 h GLN 88 Cb 0.96 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 3fi0 h GLN 88 CO 0.01 0.45 0.01 0.00 -0.67 0.00 0.00 178.83 178.62 3fi0 h ALA 89 N -0.29 1.64 -0.26 3.87 0.00 -1.46 -2.10 119.26 120.66 3fi0 h ALA 89 Ca -0.01 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3fi0 h ALA 89 Cb 0.58 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3fi0 h ALA 89 CO 0.02 0.27 -0.18 0.00 0.00 0.00 0.00 179.25 179.35 3fi0 h ALA 90 N 1.72 1.19 0.00 0.00 0.00 -1.46 -1.96 119.26 118.76 3fi0 h ALA 90 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3fi0 h ALA 90 Cb 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3fi0 h ALA 90 CO 0.00 0.52 0.00 1.87 0.00 0.00 0.00 179.25 181.64 3fi0 n TRP 91 N -4.17 0.00 0.00 0.00 -0.00 -0.79 -1.90 117.44 110.58 3fi0 n TRP 91 Ca 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 57.50 57.30 3fi0 n TRP 91 Cb 0.36 -0.15 0.00 0.00 -0.00 0.00 0.00 31.31 31.52 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 0.58 0.00 0.14 5.87 4.77 -0.74 -2.63 117.00 125.00 3fi0 n LEU 93 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3fi0 n LEU 93 Cb 0.24 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.58 3fi0 n LEU 93 CO 0.00 0.00 0.62 -0.61 -1.33 0.00 0.00 177.39 176.07 3fi0 h GLN 94 N 0.00 0.07 0.00 3.23 4.15 -1.65 -1.48 115.11 119.42 3fi0 h GLN 94 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 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 0.53 0.00 0.00 -1.93 0.00 0.00 178.83 177.43 3fi0 n ILE 96 N -2.33 0.00 -2.14 0.00 -5.35 -1.03 -4.99 119.36 103.52 3fi0 n ILE 96 Ca 0.03 -0.25 -0.31 0.00 -0.27 0.00 0.00 62.75 61.95 3fi0 n ILE 96 Cb 0.30 0.66 -0.01 0.00 -1.74 0.00 0.00 39.64 38.85 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 -2.03 4.66 0.00 7.28 0.11 -0.59 -5.06 120.40 124.78 3fi0 s VAL 97 Ca -0.00 0.95 -0.01 0.00 -2.93 0.00 0.00 61.98 59.99 3fi0 s VAL 97 Cb 0.04 -3.81 -0.04 0.00 -1.53 0.00 0.00 36.38 31.04 3fi0 s VAL 97 CO 0.26 -0.94 0.12 -0.31 -3.33 0.00 0.00 175.10 170.90 3fi0 s TYR 98 N -2.93 3.38 0.31 1.54 2.02 -1.26 -4.94 117.35 115.47 3fi0 s TYR 98 Ca 0.56 0.25 0.01 0.00 -0.37 0.00 0.00 57.07 57.52 3fi0 s TYR 98 Cb -0.11 -1.76 0.56 0.00 -0.40 0.00 0.00 41.96 40.25 3fi0 s TYR 98 CO 0.44 0.59 1.91 0.82 -1.57 0.00 0.00 175.55 177.74 3fi0 h ILE 99 N 2.96 1.04 -0.26 2.71 2.04 -1.97 -1.56 117.51 122.48 3fi0 h ILE 99 Ca -0.49 -0.34 0.06 0.00 1.00 0.00 0.00 64.86 65.10 3fi0 h ILE 99 Cb 1.18 -0.04 -0.07 0.00 -0.74 0.00 0.00 36.82 37.16 3fi0 h ILE 99 CO 0.66 0.18 -0.22 1.23 0.00 0.00 0.00 178.15 180.00 3fi0 h GLY 100 N 0.99 -0.09 1.22 5.37 0.00 -1.99 0.18 103.07 108.76 3fi0 h GLY 100 Ca 0.39 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.99 3fi0 h GLY 100 CO -0.15 -0.19 0.49 0.83 0.00 0.00 0.00 176.54 177.51 3fi0 h GLU 101 N -0.21 1.04 -0.09 4.80 5.08 -1.71 -1.54 114.58 121.94 3fi0 h GLU 101 Ca 0.14 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3fi0 h GLU 101 Cb 0.43 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3fi0 h GLU 101 CO -0.38 0.71 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.15 3fi0 h LEU 102 N 1.06 0.27 -2.25 1.33 3.38 -0.70 -2.97 115.31 115.43 3fi0 h LEU 102 Ca 0.28 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 57.76 3fi0 h LEU 102 Cb -0.08 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3fi0 h LEU 102 CO -0.06 0.72 0.05 -0.33 0.09 0.00 0.00 178.44 178.91 3fi0 h GLU 103 N -0.18 0.00 -3.46 1.13 5.08 -0.49 -3.47 114.58 113.20 3fi0 h GLU 103 Ca 0.01 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.67 3fi0 h GLU 103 Cb 0.65 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 3fi0 h GLU 103 CO 0.03 0.00 3.21 0.54 -1.00 0.00 0.00 179.01 181.79 3fi0 n ARG 104 N -4.12 3.40 0.00 2.33 1.74 -0.60 -5.09 116.66 114.34 3fi0 n ARG 104 Ca -0.02 -2.64 0.00 0.00 -0.77 0.00 0.00 57.85 54.42 3fi0 n ARG 104 Cb 0.14 -3.01 0.00 0.00 -1.02 0.00 0.00 32.46 28.57 3fi0 n ARG 104 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 3fi0 n THR 106 N 4.05 0.00 -0.73 0.55 5.66 -1.26 -5.08 114.28 117.47 3fi0 n THR 106 Ca 0.61 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.61 3fi0 n THR 106 Cb 0.32 0.87 0.00 0.00 -1.55 0.00 0.00 70.33 69.96 3fi0 n THR 106 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3fi0 n GLN 107 N 0.00 2.47 0.00 1.09 6.02 -1.26 -5.25 117.38 120.46 3fi0 n GLN 107 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3fi0 n GLN 107 Cb 0.18 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.44 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 -1.77 5.09 0.31 -1.26 -5.10 118.33 115.60 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 6.41 0.39 4.52 0.15 -1.26 -4.85 113.70 119.06 3fi0 s SER 119 Ca 0.00 2.84 0.07 0.00 0.70 0.00 0.00 55.95 59.56 3fi0 s SER 119 Cb 0.00 -2.61 0.81 0.00 -1.71 0.00 0.00 66.02 62.51 3fi0 s SER 119 CO 0.00 -0.93 2.02 0.00 1.20 0.00 0.00 173.24 175.52 3fi0 h ALA 120 N 6.36 1.71 -0.49 5.45 0.00 -2.02 -1.79 119.26 128.50 3fi0 h ALA 120 Ca -0.44 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 54.59 3fi0 h ALA 120 Cb 1.21 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3fi0 h ALA 120 CO 0.91 0.23 0.53 0.78 0.00 0.00 0.00 179.25 181.70 3fi0 h GLY 121 N 0.65 0.00 2.00 0.00 0.00 -1.89 0.39 103.07 104.22 3fi0 h GLY 121 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3fi0 h GLY 121 CO -0.06 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.52 3fi0 n LEU 122 N -3.68 0.47 -0.03 3.11 7.99 -0.67 -2.30 117.00 121.89 3fi0 n LEU 122 Ca 0.09 0.58 -0.01 0.00 -0.01 0.00 0.00 56.01 56.66 3fi0 n LEU 122 Cb 0.72 -0.46 -0.08 0.00 -0.11 0.00 0.00 43.42 43.49 3fi0 n LEU 122 CO 0.27 -0.27 -0.74 -0.11 -1.51 0.00 0.00 177.39 175.03 3fi0 n LEU 123 N -1.97 0.00 -0.72 2.23 7.94 0.13 -4.73 117.00 119.88 3fi0 n LEU 123 Ca 0.04 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 55.01 3fi0 n LEU 123 Cb 0.31 0.15 0.17 0.00 0.53 0.00 0.00 43.42 44.57 3fi0 n LEU 123 CO 0.23 0.15 0.63 1.07 -1.11 0.00 0.00 177.39 178.36 3fi0 n THR 124 N -2.17 0.91 0.22 1.96 5.66 -0.76 -4.54 114.28 115.57 3fi0 n THR 124 Ca -0.10 -0.96 0.12 0.00 -3.05 0.00 0.00 64.05 60.06 3fi0 n THR 124 Cb 0.60 0.57 0.22 0.00 -1.55 0.00 0.00 70.33 70.17 3fi0 n THR 124 CO 0.00 0.00 0.00 0.10 -3.05 0.00 0.00 175.07 172.12 3fi0 h TYR 125 N 2.36 0.00 -0.49 1.09 -0.00 -1.73 -3.33 116.97 114.88 3fi0 h TYR 125 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 58.73 58.77 3fi0 h TYR 125 Cb 0.75 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.45 3fi0 h TYR 125 CO 0.24 0.04 0.32 -1.35 -0.00 0.00 0.00 178.16 177.42 3fi0 h PRO 126 N 0.00 0.50 0.00 0.10 0.11 -1.88 0.14 132.00 130.97 3fi0 h PRO 126 Ca -0.00 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 3fi0 h PRO 126 Cb 0.97 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 3fi0 h PRO 126 CO 0.01 0.33 -0.19 -1.35 -0.21 0.00 0.00 178.00 176.58 3fi0 h PRO 127 N 0.51 0.00 -1.08 1.05 0.11 -1.91 -1.63 132.00 129.05 3fi0 h PRO 127 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3fi0 h PRO 127 Cb 0.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.27 3fi0 h PRO 127 CO -0.05 0.19 0.00 -0.11 -0.21 0.00 0.00 178.00 177.82 3fi0 n LEU 128 N -3.35 2.63 0.00 2.35 7.94 0.03 -1.86 117.00 124.75 3fi0 n LEU 128 Ca 0.00 -1.32 0.00 0.00 -1.11 0.00 0.00 56.01 53.59 3fi0 n LEU 128 Cb 0.41 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 43.91 3fi0 n LEU 128 CO 0.33 0.44 0.00 0.00 -1.11 0.00 0.00 177.39 177.05 3fi0 n ALA 130 N 0.51 0.00 -0.16 1.96 0.00 -0.62 -1.16 120.51 121.04 3fi0 n ALA 130 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3fi0 n ALA 130 Cb 0.44 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.03 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 1.11 -0.30 0.00 0.00 -1.64 0.33 119.26 118.76 3fi0 h ALA 131 Ca 0.00 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.75 3fi0 h ALA 131 Cb 0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.48 3fi0 h ALA 131 CO 0.00 0.59 -0.32 -0.44 0.00 0.00 0.00 179.25 179.08 3fi0 h ASP 132 N 0.88 -1.04 0.32 0.00 3.32 -1.41 -1.32 116.42 117.17 3fi0 h ASP 132 Ca 0.19 0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.39 3fi0 h ASP 132 Cb 0.35 0.47 0.00 0.00 0.22 0.00 0.00 39.33 40.38 3fi0 h ASP 132 CO 0.00 -0.33 -0.15 0.40 -1.72 0.00 0.00 179.24 177.44 3fi0 h ILE 133 N -0.30 0.00 -0.79 0.35 2.04 -1.74 -3.35 117.51 113.72 3fi0 h ILE 133 Ca 0.14 -0.15 0.19 0.00 1.00 0.00 0.00 64.86 66.05 3fi0 h ILE 133 Cb 0.54 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 3fi0 h ILE 133 CO -0.47 0.00 0.54 -0.07 0.00 0.00 0.00 178.15 178.16 3fi0 h LEU 134 N -0.58 0.24 -2.08 1.44 3.38 -0.92 -2.44 115.31 114.36 3fi0 h LEU 134 Ca -0.04 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.04 3fi0 h LEU 134 Cb 0.33 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3fi0 h LEU 134 CO 0.07 0.11 0.33 -0.07 0.09 0.00 0.00 178.44 178.97 3fi0 h LEU 135 N 0.25 0.00 -3.01 1.67 3.38 -1.37 -1.76 115.31 114.47 3fi0 h LEU 135 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3fi0 h LEU 135 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3fi0 h LEU 135 CO -0.09 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.22 3fi0 n TYR 136 N -3.89 0.87 -4.03 1.13 4.01 -0.92 -4.32 117.16 110.02 3fi0 n TYR 136 Ca 0.05 -0.60 -0.30 0.00 -0.16 0.00 0.00 57.90 56.89 3fi0 n TYR 136 Cb 0.49 -0.13 -0.01 0.00 -0.31 0.00 0.00 39.34 39.38 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 0.60 -2.37 -4.77 7.72 4.13 -0.66 -4.89 115.26 115.03 3fi0 n ASN 137 Ca 0.19 -0.95 -0.39 0.00 1.68 0.00 0.00 54.58 55.11 3fi0 n ASN 137 Cb 0.66 -3.18 -0.04 0.00 -1.54 0.00 0.00 39.78 35.68 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 -3.56 3.58 -0.17 3.41 -4.23 -1.25 -4.65 115.64 108.76 3fi0 s THR 138 Ca 0.41 1.42 0.03 0.00 -1.18 0.00 0.00 61.69 62.36 3fi0 s THR 138 Cb -0.22 -3.83 -0.22 0.00 1.34 0.00 0.00 72.50 69.57 3fi0 s THR 138 CO 0.89 0.21 0.15 0.47 -0.54 0.00 0.00 174.62 175.80 3fi0 n ASP 139 N 0.64 1.60 -4.11 3.99 8.00 -0.20 -4.17 116.55 122.29 3fi0 n ASP 139 Ca 0.02 0.08 -0.29 0.00 0.71 0.00 0.00 54.79 55.31 3fi0 n ASP 139 Cb 0.47 -0.33 -0.17 0.00 -0.02 0.00 0.00 41.12 41.07 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 -2.54 1.63 -0.31 0.53 1.01 -0.62 -1.40 121.20 119.49 3fi0 s ILE 140 Ca -0.23 -0.75 -0.07 0.00 0.00 0.00 0.00 60.65 59.61 3fi0 s ILE 140 Cb 0.08 -1.45 0.02 0.00 0.01 0.00 0.00 42.46 41.12 3fi0 s ILE 140 CO 0.73 0.46 0.09 -0.69 0.00 0.00 0.00 174.94 175.53 3fi0 s VAL 141 N 0.65 3.93 -1.06 2.92 1.01 0.01 -2.01 120.40 125.86 3fi0 s VAL 141 Ca -0.13 -0.83 -0.22 0.00 0.00 0.00 0.00 61.98 60.79 3fi0 s VAL 141 Cb -0.16 -3.09 0.02 0.00 0.00 0.00 0.00 36.38 33.15 3fi0 s VAL 141 CO 0.04 -0.01 1.65 -2.16 0.00 0.00 0.00 175.10 174.62 3fi0 s PRO 142 N 1.47 3.33 0.03 2.72 0.04 -1.25 -1.37 135.00 139.98 3fi0 s PRO 142 Ca 0.01 -1.09 -0.01 0.00 0.04 0.00 0.00 61.00 59.96 3fi0 s PRO 142 Cb -0.18 -5.31 -0.03 0.00 0.04 0.00 0.00 34.50 29.02 3fi0 s PRO 142 CO 0.03 -2.63 -0.01 0.14 0.04 0.00 0.00 177.00 174.56 3fi0 s VAL 143 N 6.51 0.15 0.00 -0.36 -7.23 -1.26 -4.89 120.40 113.32 3fi0 s VAL 143 Ca 0.55 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 3fi0 s VAL 143 Cb -0.01 -0.74 0.00 0.00 0.56 0.00 0.00 36.38 36.19 3fi0 s VAL 143 CO -0.03 -0.67 0.00 0.61 -0.31 0.00 0.00 175.10 174.70 3fi0 n GLY 144 N 1.02 -1.66 0.04 2.32 0.00 -1.26 -4.52 105.19 101.14 3fi0 n GLY 144 Ca -0.20 -1.27 0.05 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 0.66 0.27 1.61 2.13 -1.26 -3.89 120.64 120.17 3fi0 n GLU 145 Ca 0.00 -0.10 0.13 0.00 0.66 0.00 0.00 57.16 57.85 3fi0 n GLU 145 Cb 0.00 -1.56 0.71 0.00 0.27 0.00 0.00 31.44 30.87 3fi0 n GLU 145 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 3fi0 h ASP 146 N 0.00 0.00 -0.02 4.31 2.03 -2.06 0.33 116.42 121.01 3fi0 h ASP 146 Ca -0.15 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.15 3fi0 h ASP 146 Cb 1.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.86 3fi0 h ASP 146 CO 0.01 0.00 -0.05 0.00 -1.03 0.00 0.00 179.24 178.17 3fi0 n GLN 147 N -2.62 1.21 -0.23 4.15 1.13 -1.25 -4.70 117.38 115.07 3fi0 n GLN 147 Ca -0.02 -1.28 -0.05 0.00 -1.94 0.00 0.00 57.00 53.71 3fi0 n GLN 147 Cb 0.30 -1.28 0.06 0.00 0.11 0.00 0.00 30.24 29.43 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 2.72 0.80 -0.68 -1.09 3.64 -0.44 -2.48 116.57 119.04 3fi0 h LYS 148 Ca 0.00 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3fi0 h LYS 148 Cb 0.60 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 3fi0 h LYS 148 CO 0.00 0.53 0.40 0.37 -2.27 0.00 0.00 179.45 178.48 3fi0 h GLN 149 N 0.82 0.92 -0.78 1.90 4.15 -1.84 -0.95 115.11 119.34 3fi0 h GLN 149 Ca 0.25 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.54 3fi0 h GLN 149 Cb -0.03 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.43 3fi0 h GLN 149 CO -0.08 0.66 0.31 0.45 -1.93 0.00 0.00 178.83 178.24 3fi0 h HIS 150 N 0.94 1.18 -0.01 3.99 3.86 -1.77 -2.71 115.15 120.63 3fi0 h HIS 150 Ca 0.24 -0.09 -0.25 0.00 -1.16 0.00 0.00 60.37 59.12 3fi0 h HIS 150 Cb -0.02 -0.35 0.02 0.00 1.06 0.00 0.00 27.41 28.11 3fi0 h HIS 150 CO 0.00 0.90 -0.97 0.82 0.86 0.00 0.00 177.93 179.54 3fi0 h ILE 151 N 1.13 1.30 -0.94 2.45 1.08 -1.14 -1.93 117.51 119.44 3fi0 h ILE 151 Ca 0.26 -2.20 0.18 0.00 -0.39 0.00 0.00 64.86 62.71 3fi0 h ILE 151 Cb 0.21 2.38 -0.08 0.00 -3.07 0.00 0.00 36.82 36.26 3fi0 h ILE 151 CO -0.02 0.68 0.60 -0.33 -0.69 0.00 0.00 178.15 178.39 3fi0 h GLU 152 N 0.34 0.60 0.12 2.37 4.39 -1.15 0.16 114.58 121.41 3fi0 h GLU 152 Ca -0.12 -0.04 -0.25 0.00 0.34 0.00 0.00 59.36 59.29 3fi0 h GLU 152 Cb 1.63 -0.13 0.03 0.00 -0.10 0.00 0.00 28.75 30.17 3fi0 h GLU 152 CO 0.19 0.39 -1.07 1.25 -1.16 0.00 0.00 179.01 178.62 3fi0 h LEU 153 N 0.61 0.74 -1.43 1.33 5.85 -1.39 -1.69 115.31 119.33 3fi0 h LEU 153 Ca 0.51 -0.85 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3fi0 h LEU 153 Cb 0.96 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3fi0 h LEU 153 CO -0.26 1.51 0.00 0.71 -0.34 0.00 0.00 178.44 180.07 3fi0 h THR 154 N 0.06 0.00 0.07 1.05 1.35 -0.57 -0.41 112.91 114.45 3fi0 h THR 154 Ca -0.17 -0.46 -0.25 0.00 -0.55 0.00 0.00 66.41 64.99 3fi0 h THR 154 Cb 1.78 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 69.62 3fi0 h THR 154 CO 0.20 0.00 -1.16 0.03 -0.25 0.00 0.00 175.52 174.35 3fi0 h ARG 155 N 0.00 0.14 -0.05 4.72 3.08 -0.67 -2.76 114.38 118.84 3fi0 h ARG 155 Ca 0.00 -0.24 -0.19 0.00 0.07 0.00 0.00 59.98 59.62 3fi0 h ARG 155 Cb 0.47 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 3fi0 h ARG 155 CO 0.00 1.10 -0.77 -0.44 -1.07 0.00 0.00 179.97 178.79 3fi0 h ASP 156 N 0.04 0.44 -0.05 7.04 3.32 -0.38 -1.96 116.42 124.86 3fi0 h ASP 156 Ca -0.09 -0.30 -0.18 0.00 0.02 0.00 0.00 57.03 56.48 3fi0 h ASP 156 Cb 1.88 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 41.30 3fi0 h ASP 156 CO 0.16 1.05 -0.61 -0.07 -1.72 0.00 0.00 179.24 178.06 3fi0 h LEU 157 N 0.24 0.74 0.23 1.55 3.38 -1.17 -1.46 115.31 118.82 3fi0 h LEU 157 Ca -0.04 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 3fi0 h LEU 157 Cb 1.36 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3fi0 h LEU 157 CO 0.13 1.18 -0.11 0.00 0.09 0.00 0.00 178.44 179.72 3fi0 h ALA 158 N 0.83 -0.31 -0.51 1.53 0.00 -1.47 -1.25 119.26 118.07 3fi0 h ALA 158 Ca -0.01 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.82 3fi0 h ALA 158 Cb 1.19 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 3fi0 h ALA 158 CO 0.12 -0.53 0.14 1.49 0.00 0.00 0.00 179.25 180.47 3fi0 h GLU 159 N -0.61 0.28 0.00 0.00 4.81 -1.37 0.45 114.58 118.14 3fi0 h GLU 159 Ca -0.03 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 3fi0 h GLU 159 Cb 0.44 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3fi0 h GLU 159 CO 0.05 0.19 -0.44 -0.09 -0.73 0.00 0.00 179.01 177.99 3fi0 h ARG 160 N 0.29 0.00 0.11 1.92 2.43 -1.26 -1.97 114.38 115.91 3fi0 h ARG 160 Ca 0.26 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 59.16 3fi0 h ARG 160 Cb 0.32 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.90 3fi0 h ARG 160 CO -0.30 0.44 -1.09 0.35 -1.51 0.00 0.00 179.97 177.86 3fi0 h PHE 161 N 0.00 0.89 -0.81 2.20 3.57 -0.65 -3.07 116.94 119.07 3fi0 h PHE 161 Ca -0.00 -0.56 -0.01 0.00 3.53 0.00 0.00 57.97 60.92 3fi0 h PHE 161 Cb 0.87 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 3fi0 h PHE 161 CO 0.00 1.41 0.47 -0.91 -2.23 0.00 0.00 178.31 177.05 3fi0 h ASN 162 N 0.13 0.98 -0.21 0.41 2.35 -0.81 -0.10 115.58 118.33 3fi0 h ASN 162 Ca -0.17 -0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.41 3fi0 h ASN 162 Cb 1.79 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.90 3fi0 h ASN 162 CO 0.21 0.77 -0.19 0.11 -1.65 0.00 0.00 177.43 176.68 3fi0 h LYS 163 N 1.11 0.65 0.20 0.81 1.57 -1.44 1.42 116.57 120.87 3fi0 h LYS 163 Ca 0.29 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3fi0 h LYS 163 Cb -0.01 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3fi0 h LYS 163 CO -0.05 0.80 -0.09 -0.09 -0.57 0.00 0.00 179.45 179.44 3fi0 h ARG 164 N 0.58 -0.25 -0.01 3.15 1.12 -1.37 -3.38 114.38 114.22 3fi0 h ARG 164 Ca 0.09 0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.98 3fi0 h ARG 164 Cb 0.65 0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.66 3fi0 h ARG 164 CO 0.05 0.06 -0.70 0.66 -3.11 0.00 0.00 179.97 176.93 3fi0 n TYR 165 N -4.94 0.00 -0.55 2.20 4.02 -0.08 -5.09 117.16 112.72 3fi0 n TYR 165 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 3fi0 n TYR 165 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.54 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 1.41 -2.74 3.57 2.72 0.00 0.48 -4.94 105.19 105.70 3fi0 n GLY 166 Ca 0.06 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.46 3.29 0.00 1.61 2.12 -1.24 -4.14 118.70 119.88 3fi0 s GLU 167 Ca 0.00 0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.72 3fi0 s GLU 167 Cb 0.00 -4.13 0.00 0.00 0.26 0.00 0.00 34.13 30.26 3fi0 s GLU 167 CO 0.00 -1.96 0.00 -0.11 -0.54 0.00 0.00 175.26 172.65 3fi0 n LEU 168 N 9.56 0.00 -4.26 2.70 7.94 -1.26 -5.08 117.00 126.60 3fi0 n LEU 168 Ca 0.12 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.73 3fi0 n LEU 168 Cb 0.49 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.29 3fi0 n LEU 168 CO 0.71 0.00 -0.54 -0.36 -1.11 0.00 0.00 177.39 176.09 3fi0 s PHE 169 N -1.19 2.04 0.09 1.96 0.08 -1.26 -5.01 117.98 114.69 3fi0 s PHE 169 Ca 0.00 -0.39 -0.30 0.00 0.12 0.00 0.00 56.93 56.37 3fi0 s PHE 169 Cb 0.00 -1.31 -0.05 0.00 -0.57 0.00 0.00 43.02 41.09 3fi0 s PHE 169 CO 0.00 -0.03 0.95 0.99 -0.10 0.00 0.00 175.22 177.03 3fi0 s THR 170 N -0.55 4.58 -0.30 0.64 2.01 -1.26 -5.01 115.64 115.75 3fi0 s THR 170 Ca 0.09 2.04 -0.29 0.00 0.31 0.00 0.00 61.69 63.84 3fi0 s THR 170 Cb -0.09 -4.31 0.02 0.00 0.01 0.00 0.00 72.50 68.13 3fi0 s THR 170 CO -0.01 0.29 1.07 -0.63 -0.69 0.00 0.00 174.62 174.66 3fi0 s ILE 171 N 0.16 4.54 0.77 1.82 1.09 -1.26 -4.76 121.20 123.55 3fi0 s ILE 171 Ca 0.47 1.79 -0.11 0.00 -1.10 0.00 0.00 60.65 61.70 3fi0 s ILE 171 Cb -0.23 -4.40 0.05 0.00 -1.06 0.00 0.00 42.46 36.83 3fi0 s ILE 171 CO 0.29 -0.43 1.08 -2.16 -0.10 0.00 0.00 174.94 173.62 3fi0 s PRO 172 N 3.58 2.35 -0.03 2.79 0.04 -1.26 -4.86 135.00 137.61 3fi0 s PRO 172 Ca 0.45 0.85 0.03 0.00 0.04 0.00 0.00 61.00 62.37 3fi0 s PRO 172 Cb -0.13 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3fi0 s PRO 172 CO 0.14 -1.49 -0.10 -2.00 0.04 0.00 0.00 177.00 173.59 3fi0 s GLU 173 N -5.06 1.12 -0.41 4.56 2.12 -0.49 -4.91 118.70 115.63 3fi0 s GLU 173 Ca 0.60 -0.35 -0.21 0.00 0.36 0.00 0.00 54.97 55.38 3fi0 s GLU 173 Cb -0.15 -1.02 0.02 0.00 0.26 0.00 0.00 34.13 33.24 3fi0 s GLU 173 CO 0.55 0.12 0.66 0.00 -0.54 0.00 0.00 175.26 176.05 3fi0 s ALA 174 N 0.23 3.38 -0.28 6.30 0.00 -1.26 -0.81 121.76 129.32 3fi0 s ALA 174 Ca -0.04 -1.04 -0.19 0.00 0.00 0.00 0.00 51.96 50.68 3fi0 s ALA 174 Cb -0.10 -3.28 0.12 0.00 0.00 0.00 0.00 23.12 19.87 3fi0 s ALA 174 CO 0.01 -1.63 0.93 -0.98 0.00 0.00 0.00 175.76 174.09 3fi0 s ARG 175 N 2.85 0.49 -0.49 0.00 1.70 -0.47 -4.94 118.95 118.09 3fi0 s ARG 175 Ca 0.24 0.75 -0.21 0.00 -0.47 0.00 0.00 55.73 56.05 3fi0 s ARG 175 Cb -0.14 0.15 0.04 0.00 -0.57 0.00 0.00 34.95 34.44 3fi0 s ARG 175 CO 0.18 -0.09 0.69 0.42 -1.08 0.00 0.00 175.30 175.42 3fi0 s ILE 176 N 1.00 4.77 0.07 4.99 1.01 -1.26 -3.78 121.20 128.01 3fi0 s ILE 176 Ca -0.05 -0.16 -0.31 0.00 0.00 0.00 0.00 60.65 60.14 3fi0 s ILE 176 Cb -0.04 -4.31 -0.10 0.00 0.01 0.00 0.00 42.46 38.01 3fi0 s ILE 176 CO -0.12 -0.80 1.91 -2.65 0.00 0.00 0.00 174.94 173.28 3fi0 n PRO 177 N 6.44 2.82 -3.19 2.79 -0.02 -1.26 -2.58 135.00 140.01 3fi0 n PRO 177 Ca -0.03 1.03 -0.15 0.00 -2.02 0.00 0.00 63.50 62.33 3fi0 n PRO 177 Cb 0.47 -2.96 0.06 0.00 -0.02 0.00 0.00 33.50 31.05 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 6.64 -5.34 -1.40 -0.52 5.02 -1.26 -4.95 118.16 116.36 3fi0 n LYS 178 Ca 0.19 0.60 -0.45 0.00 -2.02 0.00 0.00 58.31 56.63 3fi0 n LYS 178 Cb 0.39 -4.91 -0.01 0.00 -0.02 0.00 0.00 35.03 30.47 3fi0 n LYS 178 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3fi0 n VAL 179 N -3.90 1.56 -2.69 -0.18 0.31 -1.06 -4.98 118.33 107.40 3fi0 n VAL 179 Ca -0.07 -0.50 -0.12 0.00 -0.01 0.00 0.00 64.34 63.63 3fi0 n VAL 179 Cb 0.57 -0.19 0.06 0.00 -0.91 0.00 0.00 33.84 33.37 3fi0 n VAL 179 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fi0 n GLY 180 N 1.99 1.21 3.72 2.92 0.00 -0.53 -5.04 105.19 109.45 3fi0 n GLY 180 Ca 0.14 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.77 3fi0 n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fi0 s ALA 181 N -2.76 1.90 -0.23 4.61 0.00 -1.26 -4.76 121.76 119.26 3fi0 s ALA 181 Ca 0.37 0.50 -0.22 0.00 0.00 0.00 0.00 51.96 52.60 3fi0 s ALA 181 Cb -0.02 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 3fi0 s ALA 181 CO 0.24 -2.21 0.72 0.50 0.00 0.00 0.00 175.76 175.01 3fi0 s ARG 182 N -4.64 4.18 0.55 0.00 3.52 -1.26 -4.24 118.95 117.06 3fi0 s ARG 182 Ca 0.65 0.75 0.00 0.00 -0.13 0.00 0.00 55.73 57.01 3fi0 s ARG 182 Cb -0.21 -3.62 0.03 0.00 -1.56 0.00 0.00 34.95 29.59 3fi0 s ARG 182 CO 0.55 -0.39 0.78 0.42 -0.81 0.00 0.00 175.30 175.85 3fi0 s ILE 183 N 2.42 2.86 0.14 4.11 -1.09 -1.26 -5.03 121.20 123.35 3fi0 s ILE 183 Ca 0.31 -0.60 0.01 0.00 -2.23 0.00 0.00 60.65 58.14 3fi0 s ILE 183 Cb -0.16 -3.08 -0.04 0.00 -1.58 0.00 0.00 42.46 37.60 3fi0 s ILE 183 CO 0.09 -0.06 0.29 -0.55 -1.23 0.00 0.00 174.94 173.48 3fi0 s SER 185 N -4.40 6.36 -0.02 3.58 0.15 0.34 -4.58 113.70 115.14 3fi0 s SER 185 Ca 0.56 0.26 0.06 0.00 0.70 0.00 0.00 55.95 57.53 3fi0 s SER 185 Cb -0.10 -1.95 -0.24 0.00 -1.71 0.00 0.00 66.02 62.02 3fi0 s SER 185 CO 0.39 0.06 0.75 -0.07 1.20 0.00 0.00 173.24 175.57 3fi0 h LEU 186 N 2.34 0.13 0.21 3.45 3.38 -1.64 -0.77 115.31 122.41 3fi0 h LEU 186 Ca -0.47 -0.23 -0.31 0.00 0.09 0.00 0.00 57.88 56.96 3fi0 h LEU 186 Cb 1.18 -0.04 0.03 0.00 0.09 0.00 0.00 40.66 41.92 3fi0 h LEU 186 CO 0.70 1.20 -1.39 -0.37 0.09 0.00 0.00 178.44 178.67 3fi0 h VAL 187 N 0.02 1.25 -3.50 1.22 -1.51 -1.80 -3.39 116.25 108.55 3fi0 h VAL 187 Ca -0.25 -2.61 -0.67 0.00 -1.23 0.00 0.00 66.70 61.93 3fi0 h VAL 187 Cb 1.98 3.01 -0.29 0.00 -2.13 0.00 0.00 31.29 33.87 3fi0 h VAL 187 CO 0.10 0.79 -0.70 -0.62 -1.23 0.00 0.00 177.57 175.91 3fi0 s ASP 188 N -7.38 4.54 0.47 4.19 -1.08 -1.26 -4.98 116.67 111.18 3fi0 s ASP 188 Ca -0.12 -0.65 0.32 0.00 -0.52 0.00 0.00 52.55 51.58 3fi0 s ASP 188 Cb 0.04 -1.75 1.40 0.00 -1.46 0.00 0.00 42.92 41.14 3fi0 s ASP 188 CO 0.90 -0.11 1.94 1.55 0.52 0.00 0.00 175.17 179.97 3fi0 h PRO 189 N 8.11 0.00 0.00 4.34 0.13 -1.34 -0.17 132.00 143.07 3fi0 h PRO 189 Ca -0.35 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.64 3fi0 h PRO 189 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 3fi0 h PRO 189 CO 0.59 0.00 -1.53 2.41 -0.23 0.00 0.00 178.00 179.24 3fi0 n THR 190 N -2.80 0.95 -2.60 1.56 -1.04 -1.26 -4.16 114.28 104.94 3fi0 n THR 190 Ca 0.00 -0.66 -0.34 0.00 -2.04 0.00 0.00 64.05 61.01 3fi0 n THR 190 Cb 0.23 -0.54 -0.04 0.00 -1.82 0.00 0.00 70.33 68.16 3fi0 n THR 190 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3fi0 s LYS 191 N -3.03 3.93 0.00 -2.82 2.20 -1.22 -4.91 119.74 113.88 3fi0 s LYS 191 Ca -0.04 1.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.91 3fi0 s LYS 191 Cb 0.09 -2.17 0.00 0.00 -1.51 0.00 0.00 37.83 34.24 3fi0 s LYS 191 CO 0.82 -0.32 0.00 1.17 -0.36 0.00 0.00 175.35 176.67 3fi0 n LYS 192 N -0.78 0.00 0.00 4.03 4.81 -1.26 0.13 118.16 125.08 3fi0 n LYS 192 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 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 0.05 3.14 2.88 -1.26 -4.30 113.62 114.13 3fi0 n SER 194 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 3fi0 n SER 194 Cb 0.00 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 63.76 3fi0 n SER 194 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3fi0 n LYS 195 N -0.22 0.06 -0.09 -1.46 2.85 -1.26 -1.11 118.16 116.92 3fi0 n LYS 195 Ca 0.00 0.40 0.11 0.00 -1.05 0.00 0.00 58.31 57.77 3fi0 n LYS 195 Cb 0.00 -1.64 0.34 0.00 -0.65 0.00 0.00 35.03 33.08 3fi0 n LYS 195 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3fi0 n SER 196 N -1.75 2.09 -4.77 -5.58 7.64 -1.26 -4.93 113.62 105.06 3fi0 n SER 196 Ca 0.02 -1.77 -0.41 0.00 1.01 0.00 0.00 58.87 57.72 3fi0 n SER 196 Cb 0.12 -0.12 -0.01 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.60 6.53 0.32 6.43 -1.08 -0.27 -4.88 116.67 122.13 3fi0 s ASP 197 Ca 0.34 2.86 0.14 0.00 -0.52 0.00 0.00 52.55 55.36 3fi0 s ASP 197 Cb 0.19 -2.65 0.52 0.00 -1.46 0.00 0.00 42.92 39.52 3fi0 s ASP 197 CO 0.28 -0.74 1.68 -0.65 0.52 0.00 0.00 175.17 176.26 3fi0 h PRO 198 N 3.72 0.00 -5.18 4.34 0.11 -1.91 -3.38 132.00 129.70 3fi0 h PRO 198 Ca -0.49 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 64.97 3fi0 h PRO 198 Cb 1.23 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.18 3fi0 h PRO 198 CO 0.69 0.50 0.43 1.21 -0.21 0.00 0.00 178.00 180.62 3fi0 s ASN 199 N -6.72 6.21 0.00 -2.05 3.04 -1.26 -4.89 114.94 109.26 3fi0 s ASN 199 Ca -0.01 -1.20 0.02 0.00 0.04 0.00 0.00 52.86 51.71 3fi0 s ASN 199 Cb 0.12 -2.38 0.13 0.00 -1.54 0.00 0.00 41.25 37.58 3fi0 s ASN 199 CO 0.73 -1.32 0.66 -0.81 -3.04 0.00 0.00 177.10 173.32 3fi0 n PRO 200 N 7.20 0.06 0.00 0.43 -0.04 -1.26 -0.27 135.00 141.12 3fi0 n PRO 200 Ca -0.04 0.04 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 3fi0 n PRO 200 Cb 0.45 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.65 3fi0 n PRO 200 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3fi0 n LYS 201 N -1.04 0.20 0.20 0.54 5.02 -1.26 -4.14 118.16 117.68 3fi0 n LYS 201 Ca 0.02 -0.13 0.13 0.00 -2.02 0.00 0.00 58.31 56.31 3fi0 n LYS 201 Cb 0.01 -1.50 0.30 0.00 -0.02 0.00 0.00 35.03 33.82 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 3.16 1.00 -2.37 7.82 0.00 -1.01 -3.37 119.26 124.49 3fi0 h ALA 202 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 3fi0 h ALA 202 Cb 0.51 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.15 3fi0 h ALA 202 CO 0.00 0.00 -0.65 1.52 0.00 0.00 0.00 179.25 180.12 3fi0 s TYR 203 N -3.25 1.11 -0.15 0.00 -0.85 -1.26 -2.10 117.35 110.86 3fi0 s TYR 203 Ca 0.07 -1.16 0.01 0.00 -0.52 0.00 0.00 57.07 55.47 3fi0 s TYR 203 Cb 0.07 -0.62 0.02 0.00 0.38 0.00 0.00 41.96 41.81 3fi0 s TYR 203 CO 0.63 -0.39 -0.17 0.42 -1.52 0.00 0.00 175.55 174.52 3fi0 s ILE 204 N -3.87 1.73 0.12 -3.49 1.01 -1.26 -5.01 121.20 110.42 3fi0 s ILE 204 Ca 0.27 -0.75 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 3fi0 s ILE 204 Cb 0.07 -1.58 -0.07 0.00 0.01 0.00 0.00 42.46 40.88 3fi0 s ILE 204 CO 0.05 0.49 0.74 -0.89 0.00 0.00 0.00 174.94 175.32 3fi0 s THR 205 N 1.24 4.52 0.03 2.92 2.01 -1.26 -1.09 115.64 124.01 3fi0 s THR 205 Ca 0.01 1.60 0.14 0.00 0.31 0.00 0.00 61.69 63.74 3fi0 s THR 205 Cb -0.14 -4.09 0.14 0.00 0.01 0.00 0.00 72.50 68.42 3fi0 s THR 205 CO -0.08 0.49 1.31 0.18 -0.69 0.00 0.00 174.62 175.83 3fi0 n LEU 206 N 1.91 0.35 -0.73 4.42 4.77 -1.26 0.24 117.00 126.70 3fi0 n LEU 206 Ca -0.06 0.57 0.07 0.00 -0.03 0.00 0.00 56.01 56.56 3fi0 n LEU 206 Cb 0.49 -0.51 0.15 0.00 -2.33 0.00 0.00 43.42 41.23 3fi0 n LEU 206 CO 0.46 -0.69 0.61 0.18 -1.33 0.00 0.00 177.39 176.62 3fi0 n LEU 207 N -2.07 2.87 -4.77 2.23 4.77 -1.26 -4.71 117.00 114.06 3fi0 n LEU 207 Ca -0.01 -1.71 -0.38 0.00 -0.03 0.00 0.00 56.01 53.88 3fi0 n LEU 207 Cb 0.32 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 3fi0 n LEU 207 CO 0.06 0.68 0.88 -1.81 -1.33 0.00 0.00 177.39 175.87 3fi0 s ASP 208 N -1.05 6.23 0.64 -1.43 1.01 0.14 -5.01 116.67 117.21 3fi0 s ASP 208 Ca 0.25 2.46 -0.09 0.00 0.71 0.00 0.00 52.55 55.88 3fi0 s ASP 208 Cb 0.14 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.46 3fi0 s ASP 208 CO 0.19 -0.89 1.00 1.51 0.21 0.00 0.00 175.17 177.19 3fi0 s ASP 209 N -1.08 5.56 0.28 0.27 1.47 -1.26 -4.80 116.67 117.11 3fi0 s ASP 209 Ca 0.60 0.94 0.02 0.00 1.18 0.00 0.00 52.55 55.30 3fi0 s ASP 209 Cb -0.33 -1.85 0.63 0.00 -0.34 0.00 0.00 42.92 41.03 3fi0 s ASP 209 CO 0.41 -1.18 1.76 0.00 0.68 0.00 0.00 175.17 176.84 3fi0 h ALA 210 N -0.40 1.45 -0.44 2.11 0.00 -1.96 -0.52 119.26 119.51 3fi0 h ALA 210 Ca -0.45 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3fi0 h ALA 210 Cb 1.25 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3fi0 h ALA 210 CO 0.62 -0.10 0.22 -0.22 0.00 0.00 0.00 179.25 179.77 3fi0 h LYS 211 N 0.65 0.62 0.03 0.00 3.64 -2.00 -2.29 116.57 117.24 3fi0 h LYS 211 Ca 0.52 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.81 3fi0 h LYS 211 Cb 0.79 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3fi0 h LYS 211 CO -0.39 0.53 -0.02 1.15 -2.27 0.00 0.00 179.45 178.45 3fi0 h THR 212 N 0.56 1.19 -0.73 1.00 2.02 -1.70 -2.12 112.91 113.13 3fi0 h THR 212 Ca 0.15 -0.73 0.14 0.00 0.77 0.00 0.00 66.41 66.75 3fi0 h THR 212 Cb 0.11 1.68 -0.10 0.00 -1.74 0.00 0.00 68.15 68.09 3fi0 h THR 212 CO -0.02 0.18 0.26 0.40 0.37 0.00 0.00 175.52 176.71 3fi0 h ILE 213 N -0.37 0.62 -0.07 3.11 2.04 -1.11 0.30 117.51 122.03 3fi0 h ILE 213 Ca -0.00 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 3fi0 h ILE 213 Cb 0.34 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 3fi0 h ILE 213 CO 0.01 0.07 0.01 -0.08 0.00 0.00 0.00 178.15 178.16 3fi0 h GLU 214 N 0.38 0.12 0.43 2.37 4.81 -1.36 -1.73 114.58 119.60 3fi0 h GLU 214 Ca 0.41 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.58 3fi0 h GLU 214 Cb 0.64 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.01 3fi0 h GLU 214 CO -0.43 0.32 -0.21 0.87 -0.73 0.00 0.00 179.01 178.84 3fi0 h LYS 215 N -0.11 -0.56 -0.99 1.92 1.79 -0.85 0.26 116.57 118.03 3fi0 h LYS 215 Ca 0.02 0.04 0.25 0.00 -2.18 0.00 0.00 60.65 58.78 3fi0 h LYS 215 Cb 0.26 0.13 -0.07 0.00 -1.58 0.00 0.00 32.23 30.97 3fi0 h LYS 215 CO 0.00 -0.33 0.66 0.87 -1.08 0.00 0.00 179.45 179.58 3fi0 h LYS 216 N -0.66 0.27 0.06 3.15 1.57 -1.00 0.31 116.57 120.27 3fi0 h LYS 216 Ca -0.06 -0.02 -0.25 0.00 -1.87 0.00 0.00 60.65 58.45 3fi0 h LYS 216 Cb 0.49 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3fi0 h LYS 216 CO 0.10 0.18 -1.22 0.82 -0.57 0.00 0.00 179.45 178.76 3fi0 h ILE 217 N 0.28 1.49 -0.08 1.86 2.04 -0.82 -3.25 117.51 119.04 3fi0 h ILE 217 Ca 0.52 -3.16 -0.11 0.00 1.00 0.00 0.00 64.86 63.11 3fi0 h ILE 217 Cb 1.52 2.84 -0.01 0.00 -0.74 0.00 0.00 36.82 40.42 3fi0 h ILE 217 CO -0.17 0.89 -0.46 0.11 0.00 0.00 0.00 178.15 178.52 3fi0 h LYS 218 N 0.03 0.19 -5.36 2.37 1.57 0.83 -3.48 116.57 112.72 3fi0 h LYS 218 Ca -0.11 -0.10 -0.64 0.00 -1.87 0.00 0.00 60.65 57.94 3fi0 h LYS 218 Cb 1.89 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 34.06 3fi0 h LYS 218 CO 0.16 0.62 0.54 -1.12 -0.57 0.00 0.00 179.45 179.07 3fi0 s SER 219 N -6.88 6.21 0.00 0.86 0.01 -0.08 -5.10 113.70 108.72 3fi0 s SER 219 Ca -0.04 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 56.11 3fi0 s SER 219 Cb 0.13 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.95 3fi0 s SER 219 CO 0.77 -1.39 0.73 -1.20 0.41 0.00 0.00 173.24 172.56 3fi0 n SER 224 N 7.53 1.33 0.09 2.44 7.64 -1.26 -4.90 113.62 126.48 3fi0 n SER 224 Ca -0.02 -1.53 -0.14 0.00 1.01 0.00 0.00 58.87 58.20 3fi0 n SER 224 Cb 0.45 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.56 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 0.27 0.00 1.43 4.81 -2.07 -3.47 114.58 115.55 3fi0 h GLU 225 Ca 0.00 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 3fi0 h GLU 225 Cb 0.43 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3fi0 h GLU 225 CO 0.00 1.14 0.00 0.41 -0.73 0.00 0.00 179.01 179.83 3fi0 n GLY 226 N 1.29 0.33 3.53 1.92 0.00 -1.26 -5.00 105.19 105.99 3fi0 n GLY 226 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 3fi0 n GLY 226 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3fi0 s THR 227 N -1.71 3.73 -0.78 2.61 -1.32 -1.26 -4.25 115.64 112.65 3fi0 s THR 227 Ca 0.00 -0.44 -0.17 0.00 -1.21 0.00 0.00 61.69 59.86 3fi0 s THR 227 Cb 0.00 -2.58 0.15 0.00 -1.51 0.00 0.00 72.50 68.56 3fi0 s THR 227 CO 0.00 0.55 0.87 -0.63 -2.21 0.00 0.00 174.62 173.20 3fi0 s ILE 228 N -0.19 5.02 -0.02 5.08 1.01 -1.26 -4.99 121.20 125.85 3fi0 s ILE 228 Ca 0.03 -1.63 -0.11 0.00 0.00 0.00 0.00 60.65 58.94 3fi0 s ILE 228 Cb -0.13 -4.59 0.01 0.00 0.01 0.00 0.00 42.46 37.77 3fi0 s ILE 228 CO 0.03 -1.24 0.23 -0.13 0.00 0.00 0.00 174.94 173.83 3fi0 s ARG 229 N 1.95 0.54 -0.35 2.79 0.52 -1.26 -4.69 118.95 118.46 3fi0 s ARG 229 Ca 0.21 -0.22 -0.27 0.00 -0.52 0.00 0.00 55.73 54.93 3fi0 s ARG 229 Cb -0.13 0.23 0.01 0.00 0.52 0.00 0.00 34.95 35.59 3fi0 s ARG 229 CO -0.04 -0.13 0.97 -0.47 0.02 0.00 0.00 175.30 175.65 3fi0 s TYR 230 N -1.17 3.11 0.00 -0.53 6.14 -1.26 -4.55 117.35 119.09 3fi0 s TYR 230 Ca -0.12 0.93 0.00 0.00 0.64 0.00 0.00 57.07 58.52 3fi0 s TYR 230 Cb -0.06 -3.63 0.00 0.00 0.42 0.00 0.00 41.96 38.69 3fi0 s TYR 230 CO 0.03 -0.78 0.00 0.41 0.64 0.00 0.00 175.55 175.84 3fi0 n GLY 237 N 4.19 0.00 0.24 8.97 0.00 -1.26 -5.07 105.19 112.26 3fi0 n GLY 237 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 3fi0 n GLY 237 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3fi0 h ILE 238 N 0.00 1.26 0.00 -0.61 1.08 -1.98 -1.89 117.51 115.37 3fi0 h ILE 238 Ca 0.00 -1.03 -0.03 0.00 -0.39 0.00 0.00 64.86 63.41 3fi0 h ILE 238 Cb 0.00 1.02 -0.00 0.00 -3.07 0.00 0.00 36.82 34.76 3fi0 h ILE 238 CO 0.00 0.36 -0.15 0.28 -0.69 0.00 0.00 178.15 177.94 3fi0 h SER 239 N 0.65 0.00 -0.03 1.72 0.02 -1.98 -0.83 113.55 113.11 3fi0 h SER 239 Ca 0.13 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.94 3fi0 h SER 239 Cb 0.48 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.03 3fi0 h SER 239 CO 0.02 0.15 -0.55 -1.13 -1.14 0.00 0.00 176.83 174.18 3fi0 h ASN 240 N 0.00 0.53 -0.62 3.07 -1.24 -1.90 -2.61 115.58 112.82 3fi0 h ASN 240 Ca -0.00 -0.73 0.07 0.00 0.71 0.00 0.00 56.30 56.36 3fi0 h ASN 240 Cb 0.50 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 39.35 3fi0 h ASN 240 CO 0.02 1.18 0.41 -0.07 -1.29 0.00 0.00 177.43 177.69 3fi0 h LEU 241 N -0.07 0.49 -0.57 0.34 4.07 -0.74 -1.29 115.31 117.54 3fi0 h LEU 241 Ca -0.06 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.76 3fi0 h LEU 241 Cb 1.24 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.87 3fi0 h LEU 241 CO 0.11 0.31 -0.44 -0.07 -1.08 0.00 0.00 178.44 177.28 3fi0 h LEU 242 N 0.56 0.69 -0.15 1.67 3.38 -1.11 -1.77 115.31 118.57 3fi0 h LEU 242 Ca 0.27 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3fi0 h LEU 242 Cb 0.35 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3fi0 h LEU 242 CO -0.08 1.03 -0.01 0.78 0.09 0.00 0.00 178.44 180.25 3fi0 h ASN 243 N 0.52 0.27 -0.34 -0.43 2.35 -0.87 0.18 115.58 117.26 3fi0 h ASN 243 Ca 0.04 -0.33 0.03 0.00 -0.55 0.00 0.00 56.30 55.48 3fi0 h ASN 243 Cb 0.97 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.24 3fi0 h ASN 243 CO 0.09 0.54 0.14 0.40 -1.65 0.00 0.00 177.43 176.95 3fi0 h ILE 244 N -0.00 0.95 0.50 2.81 2.04 -1.32 -1.71 117.51 120.78 3fi0 h ILE 244 Ca 0.04 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 3fi0 h ILE 244 Cb 0.41 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 3fi0 h ILE 244 CO 0.01 0.06 -0.24 0.22 0.00 0.00 0.00 178.15 178.20 3fi0 h TYR 245 N 0.31 -0.62 -0.18 1.37 5.03 -1.25 -2.43 116.97 119.19 3fi0 h TYR 245 Ca 0.15 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.50 3fi0 h TYR 245 Cb 0.09 0.21 -0.06 0.00 1.55 0.00 0.00 36.73 38.51 3fi0 h TYR 245 CO -0.12 -0.35 -0.23 1.03 -1.32 0.00 0.00 178.16 177.17 3fi0 h SER 246 N -0.76 -0.73 -0.60 -2.11 0.87 -0.48 0.46 113.55 110.20 3fi0 h SER 246 Ca -0.07 0.12 -0.09 0.00 -1.23 0.00 0.00 61.79 60.52 3fi0 h SER 246 Cb 0.56 0.33 -0.02 0.00 -0.44 0.00 0.00 62.40 62.83 3fi0 h SER 246 CO 0.11 -0.28 0.01 0.71 -0.53 0.00 0.00 176.83 176.86 3fi0 h THR 247 N -0.27 1.27 -0.21 2.23 1.35 -1.38 -0.27 112.91 115.63 3fi0 h THR 247 Ca 0.12 -1.13 -0.15 0.00 -0.55 0.00 0.00 66.41 64.70 3fi0 h THR 247 Cb 0.44 0.80 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 3fi0 h THR 247 CO -0.33 0.41 -0.48 -0.07 -0.25 0.00 0.00 175.52 174.79 3fi0 h LEU 248 N 0.95 0.60 0.00 3.87 3.38 -1.18 -3.30 115.31 119.63 3fi0 h LEU 248 Ca 0.17 -0.29 -0.20 0.00 0.09 0.00 0.00 57.88 57.65 3fi0 h LEU 248 Cb 0.54 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3fi0 h LEU 248 CO 0.03 0.98 -1.52 -1.54 0.09 0.00 0.00 178.44 176.48 3fi0 n SER 249 N -3.99 0.83 0.00 -0.43 3.41 0.13 -4.98 113.62 108.59 3fi0 n SER 249 Ca -0.02 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 3fi0 n SER 249 Cb 0.56 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 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 1.44 2.19 3.80 5.00 0.00 -0.11 -5.04 105.19 112.47 3fi0 n GLY 250 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.69 2.94 0.60 1.61 -0.21 -1.22 -4.99 119.66 117.71 3fi0 s GLN 251 Ca 0.00 1.08 -0.04 0.00 0.02 0.00 0.00 55.36 56.42 3fi0 s GLN 251 Cb 0.00 -1.99 0.03 0.00 1.00 0.00 0.00 33.01 32.05 3fi0 s GLN 251 CO 0.00 -1.10 0.89 -1.54 -2.12 0.00 0.00 175.29 171.42 3fi0 s SER 252 N -3.37 5.33 0.31 5.90 1.04 -1.26 -4.55 113.70 117.10 3fi0 s SER 252 Ca 0.61 0.48 0.08 0.00 0.48 0.00 0.00 55.95 57.59 3fi0 s SER 252 Cb -0.15 -1.38 0.52 0.00 0.10 0.00 0.00 66.02 65.11 3fi0 s SER 252 CO 0.49 -1.20 1.73 0.40 0.98 0.00 0.00 173.24 175.64 3fi0 h ILE 253 N -0.21 1.30 -0.22 -1.02 2.04 -1.94 -2.52 117.51 114.94 3fi0 h ILE 253 Ca -0.45 -1.44 -0.19 0.00 1.00 0.00 0.00 64.86 63.78 3fi0 h ILE 253 Cb 1.28 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 3fi0 h ILE 253 CO 0.59 0.43 -0.63 -0.33 0.00 0.00 0.00 178.15 178.21 3fi0 h GLU 254 N 0.17 0.79 0.00 2.37 3.07 -1.98 -1.39 114.58 117.60 3fi0 h GLU 254 Ca 0.02 -0.55 -0.02 0.00 -0.50 0.00 0.00 59.36 58.31 3fi0 h GLU 254 Cb 0.76 0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.76 3fi0 h GLU 254 CO 0.06 1.17 -0.10 1.49 -1.40 0.00 0.00 179.01 180.23 3fi0 h GLU 255 N 0.58 0.00 0.00 2.33 4.81 -1.90 0.14 114.58 120.55 3fi0 h GLU 255 Ca -0.01 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 3fi0 h GLU 255 Cb 1.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 3fi0 h GLU 255 CO 0.13 0.10 -1.21 1.28 -0.73 0.00 0.00 179.01 178.58 3fi0 n LEU 256 N -3.37 0.86 0.05 1.64 4.77 -0.97 -0.77 117.00 119.20 3fi0 n LEU 256 Ca -0.01 0.35 -0.14 0.00 -0.03 0.00 0.00 56.01 56.18 3fi0 n LEU 256 Cb 0.27 0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.33 3fi0 n LEU 256 CO 0.29 -0.02 0.21 -0.33 -1.33 0.00 0.00 177.39 176.20 3fi0 h GLU 257 N 0.00 0.50 0.11 3.23 5.08 -0.22 -2.47 114.58 120.81 3fi0 h GLU 257 Ca -0.08 -0.50 -0.27 0.00 -1.00 0.00 0.00 59.36 57.51 3fi0 h GLU 257 Cb 1.29 0.13 0.01 0.00 0.50 0.00 0.00 28.75 30.68 3fi0 h GLU 257 CO 0.02 1.13 -1.19 0.00 -1.00 0.00 0.00 179.01 177.98 3fi0 h ARG 258 N 0.30 0.39 0.00 2.33 3.08 -0.87 -3.17 114.38 116.45 3fi0 h ARG 258 Ca -0.07 -0.57 0.00 0.00 0.07 0.00 0.00 59.98 59.41 3fi0 h ARG 258 Cb 1.52 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.77 3fi0 h ARG 258 CO 0.16 1.24 0.04 0.37 -1.07 0.00 0.00 179.97 180.71 3fi0 h GLN 259 N 0.16 0.00 -2.36 0.04 4.15 -0.98 -3.22 115.11 112.89 3fi0 h GLN 259 Ca -0.14 0.00 -0.59 0.00 0.77 0.00 0.00 58.65 58.69 3fi0 h GLN 259 Cb 1.88 0.00 -0.40 0.00 0.21 0.00 0.00 27.48 29.17 3fi0 h GLN 259 CO 0.21 0.00 -0.81 0.66 -1.93 0.00 0.00 178.83 176.95 3fi0 n TYR 260 N -2.85 1.49 0.02 3.99 4.01 -0.93 -4.97 117.16 117.91 3fi0 n TYR 260 Ca -0.03 -3.85 -0.10 0.00 -0.16 0.00 0.00 57.90 53.77 3fi0 n TYR 260 Cb 0.09 -0.35 -0.08 0.00 -0.31 0.00 0.00 39.34 38.70 3fi0 n TYR 260 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3fi0 h GLU 261 N 4.67 -0.14 -0.41 -0.72 4.39 -1.66 -3.36 114.58 117.35 3fi0 h GLU 261 Ca 0.17 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.88 3fi0 h GLU 261 Cb 0.79 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 3fi0 h GLU 261 CO 0.61 0.35 0.00 0.41 -1.16 0.00 0.00 179.01 179.22 3fi0 n GLY 262 N 0.93 3.37 3.70 -3.84 0.00 -1.26 -4.97 105.19 103.12 3fi0 n GLY 262 Ca -0.07 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.28 2.53 0.02 1.61 -0.14 -1.26 -5.12 119.74 115.10 3fi0 s LYS 263 Ca 0.43 -1.11 0.00 0.00 -1.36 0.00 0.00 55.97 53.92 3fi0 s LYS 263 Cb 0.31 -2.40 0.00 0.00 -1.68 0.00 0.00 37.83 34.06 3fi0 s LYS 263 CO 0.15 0.44 0.01 0.41 -0.76 0.00 0.00 175.35 175.59 3fi0 n GLY 264 N -0.42 3.48 0.12 -3.33 0.00 -1.26 -4.31 105.19 99.49 3fi0 n GLY 264 Ca -0.09 -2.19 -0.13 0.00 0.00 0.00 0.00 46.02 43.61 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 0.70 0.46 -0.51 1.61 0.05 -1.97 -3.18 116.97 114.13 3fi0 h TYR 265 Ca -0.01 -0.29 0.08 0.00 0.05 0.00 0.00 58.73 58.56 3fi0 h TYR 265 Cb 0.05 -0.04 -0.06 0.00 1.01 0.00 0.00 36.73 37.69 3fi0 h TYR 265 CO 0.00 1.15 0.15 0.78 -1.05 0.00 0.00 178.16 179.19 3fi0 h GLY 266 N 1.60 0.66 2.00 3.88 0.00 -1.98 0.48 103.07 109.71 3fi0 h GLY 266 Ca -0.09 -0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 3fi0 h GLY 266 CO 0.17 -0.03 -0.46 -0.39 0.00 0.00 0.00 176.54 175.83 3fi0 h VAL 267 N 0.31 0.86 -0.06 4.60 -1.51 -1.99 -1.04 116.25 117.41 3fi0 h VAL 267 Ca 0.25 -1.97 -0.04 0.00 -1.23 0.00 0.00 66.70 63.71 3fi0 h VAL 267 Cb 0.30 2.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.71 3fi0 h VAL 267 CO -0.29 0.45 -0.11 0.15 -1.23 0.00 0.00 177.57 176.54 3fi0 h PHE 268 N 0.00 0.22 -0.70 5.19 3.57 -1.28 -2.27 116.94 121.68 3fi0 h PHE 268 Ca -0.00 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.37 3fi0 h PHE 268 Cb 1.21 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 3fi0 h PHE 268 CO 0.00 0.70 0.25 0.87 -2.23 0.00 0.00 178.31 177.90 3fi0 h LYS 269 N -0.32 1.05 -0.32 1.11 1.57 -0.08 -0.61 116.57 118.98 3fi0 h LYS 269 Ca 0.00 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3fi0 h LYS 269 Cb 0.69 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3fi0 h LYS 269 CO 0.02 0.87 0.21 0.00 -0.57 0.00 0.00 179.45 179.98 3fi0 h ALA 270 N 1.25 0.40 -0.36 3.86 0.00 -1.16 -1.25 119.26 122.01 3fi0 h ALA 270 Ca 0.23 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 3fi0 h ALA 270 Cb 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3fi0 h ALA 270 CO -0.02 -0.12 -0.40 -0.44 0.00 0.00 0.00 179.25 178.28 3fi0 h ASP 271 N 0.43 0.93 -0.58 0.00 3.32 -1.19 -3.16 116.42 116.16 3fi0 h ASP 271 Ca 0.12 -0.43 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 3fi0 h ASP 271 Cb -0.04 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 3fi0 h ASP 271 CO -0.02 1.21 0.27 0.25 -1.72 0.00 0.00 179.24 179.22 3fi0 h LEU 272 N 0.71 0.77 -2.10 1.55 5.85 -0.92 -1.94 115.31 119.23 3fi0 h LEU 272 Ca 0.06 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 3fi0 h LEU 272 Cb 0.98 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 3fi0 h LEU 272 CO 0.09 0.70 -0.08 0.00 -0.34 0.00 0.00 178.44 178.82 3fi0 h ALA 273 N 1.11 1.47 0.07 1.25 0.00 -1.25 -2.02 119.26 119.89 3fi0 h ALA 273 Ca 0.20 -0.07 -0.26 0.00 0.00 0.00 0.00 54.91 54.79 3fi0 h ALA 273 Cb 0.14 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.92 3fi0 h ALA 273 CO -0.02 0.09 -1.11 1.96 0.00 0.00 0.00 179.25 180.17 3fi0 h GLN 274 N 0.00 0.38 0.00 0.00 1.08 -1.33 -1.36 115.11 113.88 3fi0 h GLN 274 Ca -0.00 -0.51 -0.05 0.00 -1.45 0.00 0.00 58.65 56.64 3fi0 h GLN 274 Cb 0.18 0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 3fi0 h GLN 274 CO 0.01 1.19 -0.25 -0.39 -0.95 0.00 0.00 178.83 178.44 3fi0 h VAL 275 N 0.17 0.52 0.16 -0.54 -1.51 -0.93 -0.58 116.25 113.54 3fi0 h VAL 275 Ca -0.12 -1.36 -0.22 0.00 -1.23 0.00 0.00 66.70 63.77 3fi0 h VAL 275 Cb 1.78 1.96 0.02 0.00 -2.13 0.00 0.00 31.29 32.93 3fi0 h VAL 275 CO 0.19 0.25 -0.99 0.58 -1.23 0.00 0.00 177.57 176.37 3fi0 h VAL 276 N 0.00 1.42 -0.54 7.19 2.07 -1.38 -1.31 116.25 123.70 3fi0 h VAL 276 Ca -0.00 -2.55 -0.02 0.00 0.82 0.00 0.00 66.70 64.95 3fi0 h VAL 276 Cb 0.94 3.12 -0.02 0.00 -1.52 0.00 0.00 31.29 33.81 3fi0 h VAL 276 CO 0.03 0.73 0.26 0.40 0.02 0.00 0.00 177.57 179.01 3fi0 h ILE 277 N -0.29 1.20 0.00 4.57 2.04 -1.23 -0.98 117.51 122.83 3fi0 h ILE 277 Ca -0.18 -0.58 -0.07 0.00 1.00 0.00 0.00 64.86 65.03 3fi0 h ILE 277 Cb 1.74 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 3fi0 h ILE 277 CO 0.16 0.23 -0.33 -0.33 0.00 0.00 0.00 178.15 177.88 3fi0 h GLU 278 N 0.73 0.00 -0.03 2.37 3.07 -1.17 -1.01 114.58 118.56 3fi0 h GLU 278 Ca 0.19 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 58.80 3fi0 h GLU 278 Cb 0.12 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.05 3fi0 h GLU 278 CO -0.02 0.33 -0.98 1.15 -1.40 0.00 0.00 179.01 178.09 3fi0 h THR 279 N 0.00 1.30 0.00 1.13 2.02 -0.71 -3.33 112.91 113.32 3fi0 h THR 279 Ca -0.00 -2.24 -0.09 0.00 0.77 0.00 0.00 66.41 64.85 3fi0 h THR 279 Cb 0.59 2.32 -0.01 0.00 -1.74 0.00 0.00 68.15 69.30 3fi0 h THR 279 CO 0.04 0.69 -0.63 -0.07 0.37 0.00 0.00 175.52 175.93 3fi0 h LEU 280 N 0.39 0.00 -0.12 2.58 3.38 -1.05 -3.39 115.31 117.09 3fi0 h LEU 280 Ca -0.11 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3fi0 h LEU 280 Cb 1.62 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.33 3fi0 h LEU 280 CO 0.19 0.40 -0.34 -0.09 0.09 0.00 0.00 178.44 178.69 3fi0 h ARG 281 N 0.00 -0.32 -0.63 1.13 2.43 -1.29 -0.27 114.38 115.43 3fi0 h ARG 281 Ca -0.03 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3fi0 h ARG 281 Cb 1.33 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.92 3fi0 h ARG 281 CO 0.05 -0.21 0.35 -1.00 -1.51 0.00 0.00 179.97 177.65 3fi0 h PRO 282 N -0.33 0.85 -0.83 0.20 0.13 -1.78 -1.46 132.00 128.78 3fi0 h PRO 282 Ca 0.03 -0.08 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 3fi0 h PRO 282 Cb 0.40 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 31.32 3fi0 h PRO 282 CO -0.29 0.62 0.42 0.82 -0.23 0.00 0.00 178.00 179.33 3fi0 h ILE 283 N 0.87 1.25 -0.01 -3.56 2.04 -1.66 -1.22 117.51 115.22 3fi0 h ILE 283 Ca 0.22 -0.69 -0.16 0.00 1.00 0.00 0.00 64.86 65.24 3fi0 h ILE 283 Cb 0.00 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 3fi0 h ILE 283 CO -0.04 0.30 -0.74 1.56 0.00 0.00 0.00 178.15 179.23 3fi0 h GLN 284 N 1.17 0.09 0.54 2.37 4.20 -0.70 -1.71 115.11 121.07 3fi0 h GLN 284 Ca 0.29 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 3fi0 h GLN 284 Cb 0.09 0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.90 3fi0 h GLN 284 CO -0.04 0.79 -0.26 1.49 -0.67 0.00 0.00 178.83 180.14 3fi0 h GLU 285 N 0.06 -0.70 -0.17 1.46 4.81 -0.74 -2.51 114.58 116.79 3fi0 h GLU 285 Ca -0.02 0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 3fi0 h GLU 285 Cb 1.31 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.83 3fi0 h GLU 285 CO 0.10 -0.46 -0.15 0.00 -0.73 0.00 0.00 179.01 177.77 3fi0 h ARG 286 N -0.74 0.27 -0.48 1.92 3.08 -1.25 -2.93 114.38 114.25 3fi0 h ARG 286 Ca -0.07 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 3fi0 h ARG 286 Cb 0.56 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 3fi0 h ARG 286 CO 0.12 0.43 0.25 -0.92 -1.07 0.00 0.00 179.97 178.78 3fi0 h TYR 287 N 0.26 0.68 -0.54 3.04 3.20 -1.15 -2.06 116.97 120.40 3fi0 h TYR 287 Ca 0.05 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 3fi0 h TYR 287 Cb 0.42 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3fi0 h TYR 287 CO 0.01 0.53 -0.06 0.45 -1.64 0.00 0.00 178.16 177.45 3fi0 h HIS 288 N 0.64 1.06 -0.64 -3.82 3.86 -1.28 -2.74 115.15 112.23 3fi0 h HIS 288 Ca 0.17 -0.19 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 3fi0 h HIS 288 Cb 0.09 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 3fi0 h HIS 288 CO -0.01 0.97 0.32 0.45 0.86 0.00 0.00 177.93 180.52 3fi0 h HIS 289 N 0.88 0.88 0.00 2.45 3.86 -1.35 -1.15 115.15 120.72 3fi0 h HIS 289 Ca 0.15 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 3fi0 h HIS 289 Cb 0.59 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.78 3fi0 h HIS 289 CO 0.04 0.64 0.00 0.91 0.86 0.00 0.00 177.93 180.37 3fi0 n TRP 290 N -4.36 0.00 0.00 2.45 7.02 -0.79 -0.82 117.44 120.93 3fi0 n TRP 290 Ca 0.06 -0.15 0.00 0.00 -1.02 0.00 0.00 57.50 56.39 3fi0 n TRP 290 Cb 0.12 -0.12 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 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 0.54 0.00 -1.87 -0.99 0.28 -0.43 -4.61 120.64 113.55 3fi0 n GLU 292 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.69 3fi0 n GLU 292 Cb 0.20 0.00 0.02 0.00 1.43 0.00 0.00 31.44 33.10 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 5.95 -0.02 -1.84 0.15 -0.00 -5.01 113.70 112.93 3fi0 s SER 293 Ca 0.00 1.33 0.19 0.00 0.70 0.00 0.00 55.95 58.17 3fi0 s SER 293 Cb 0.00 -2.30 -0.28 0.00 -1.71 0.00 0.00 66.02 61.73 3fi0 s SER 293 CO 0.00 -1.04 0.44 -0.62 1.20 0.00 0.00 173.24 173.22 3fi0 n GLU 294 N -2.84 0.60 0.17 5.44 1.02 -1.26 -4.33 120.64 119.43 3fi0 n GLU 294 Ca 0.06 -0.16 0.10 0.00 -0.02 0.00 0.00 57.16 57.15 3fi0 n GLU 294 Cb 0.55 -1.44 0.53 0.00 -0.02 0.00 0.00 31.44 31.06 3fi0 n GLU 294 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3fi0 h GLU 295 N 0.00 0.00 0.31 3.49 4.57 -1.95 -1.11 114.58 119.89 3fi0 h GLU 295 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3fi0 h GLU 295 Cb 0.82 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 3fi0 h GLU 295 CO 0.00 0.00 -0.15 1.25 -1.18 0.00 0.00 179.01 178.93 3fi0 h LEU 296 N 0.00 -0.35 -1.43 1.64 5.85 -1.82 -1.07 115.31 118.13 3fi0 h LEU 296 Ca 0.00 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3fi0 h LEU 296 Cb 0.21 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3fi0 h LEU 296 CO 0.00 -0.22 0.32 0.44 -0.34 0.00 0.00 178.44 178.64 3fi0 h ASP 297 N -0.45 0.62 0.29 1.25 5.19 -1.50 -2.12 116.42 119.69 3fi0 h ASP 297 Ca -0.04 -0.03 -0.13 0.00 -0.62 0.00 0.00 57.03 56.21 3fi0 h ASP 297 Cb 0.34 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 3fi0 h ASP 297 CO 0.07 0.47 -0.51 0.03 -3.12 0.00 0.00 179.24 176.18 3fi0 h ARG 298 N 0.72 0.25 -0.17 3.56 3.08 -1.45 0.47 114.38 120.84 3fi0 h ARG 298 Ca 0.19 -0.15 -0.12 0.00 0.07 0.00 0.00 59.98 59.98 3fi0 h ARG 298 Cb -0.04 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3fi0 h ARG 298 CO -0.04 0.70 -0.40 0.28 -1.07 0.00 0.00 179.97 179.45 3fi0 h VAL 299 N 0.20 1.30 0.00 2.04 2.07 -0.56 -2.15 116.25 119.15 3fi0 h VAL 299 Ca 0.01 -1.53 -0.13 0.00 0.82 0.00 0.00 66.70 65.87 3fi0 h VAL 299 Cb 0.97 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 3fi0 h VAL 299 CO 0.08 0.47 -0.65 -0.07 0.02 0.00 0.00 177.57 177.42 3fi0 h LEU 300 N 0.32 0.00 -0.12 2.57 3.38 -1.18 -2.46 115.31 117.82 3fi0 h LEU 300 Ca 0.03 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.79 3fi0 h LEU 300 Cb 0.84 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.60 3fi0 h LEU 300 CO 0.07 0.59 -0.75 0.44 0.09 0.00 0.00 178.44 178.88 3fi0 h ASP 301 N 0.00 0.87 0.53 -0.43 3.32 -0.68 -2.03 116.42 118.00 3fi0 h ASP 301 Ca -0.02 -0.65 -0.13 0.00 0.02 0.00 0.00 57.03 56.26 3fi0 h ASP 301 Cb 1.46 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 3fi0 h ASP 301 CO 0.07 1.38 -0.59 -0.33 -1.72 0.00 0.00 179.24 178.06 3fi0 h GLU 302 N 0.42 0.05 0.27 3.56 4.39 -1.46 -2.03 114.58 119.79 3fi0 h GLU 302 Ca -0.06 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 3fi0 h GLU 302 Cb 1.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 3fi0 h GLU 302 CO 0.15 0.62 -0.13 0.78 -1.16 0.00 0.00 179.01 179.28 3fi0 h GLY 303 N 1.69 -0.38 1.02 -3.84 0.00 -1.36 0.88 103.07 101.08 3fi0 h GLY 303 Ca -0.01 0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.49 3fi0 h GLY 303 CO 0.08 -0.14 0.61 0.00 0.00 0.00 0.00 176.54 177.09 3fi0 h ALA 304 N 0.19 1.38 -0.04 3.60 0.00 -1.32 0.97 119.26 124.04 3fi0 h ALA 304 Ca -0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3fi0 h ALA 304 Cb 0.37 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3fi0 h ALA 304 CO 0.06 0.55 0.02 1.49 0.00 0.00 0.00 179.25 181.37 3fi0 h GLU 305 N 1.21 0.05 -0.34 0.00 4.81 -1.17 0.43 114.58 119.57 3fi0 h GLU 305 Ca 0.36 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.55 3fi0 h GLU 305 Cb -0.06 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3fi0 h GLU 305 CO -0.09 0.19 0.11 0.87 -0.73 0.00 0.00 179.01 179.35 3fi0 h LYS 306 N -0.09 0.53 0.19 1.92 1.57 -0.52 -2.26 116.57 117.91 3fi0 h LYS 306 Ca 0.01 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3fi0 h LYS 306 Cb 0.15 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3fi0 h LYS 306 CO -0.00 0.55 -0.09 0.00 -0.57 0.00 0.00 179.45 179.34 3fi0 h ALA 307 N 0.95 -0.26 -0.62 3.86 0.00 -0.73 -3.07 119.26 119.39 3fi0 h ALA 307 Ca 0.11 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.05 3fi0 h ALA 307 Cb 0.24 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.02 3fi0 h ALA 307 CO -0.00 -0.60 -0.07 -0.91 0.00 0.00 0.00 179.25 177.67 3fi0 h ASN 308 N -0.36 -0.41 -0.71 0.00 -0.26 -0.08 0.22 115.58 113.98 3fi0 h ASN 308 Ca -0.03 0.17 0.08 0.00 -0.56 0.00 0.00 56.30 55.96 3fi0 h ASN 308 Cb 0.28 0.32 -0.07 0.00 -1.06 0.00 0.00 38.32 37.79 3fi0 h ASN 308 CO 0.04 -0.16 0.37 -0.09 -1.06 0.00 0.00 177.43 176.53 3fi0 h ARG 309 N 0.06 0.63 0.15 0.81 2.43 -1.35 0.62 114.38 117.72 3fi0 h ARG 309 Ca 0.31 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 3fi0 h ARG 309 Cb 0.50 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3fi0 h ARG 309 CO -0.58 0.42 -0.07 0.28 -1.51 0.00 0.00 179.97 178.50 3fi0 h VAL 310 N 0.65 0.78 -0.66 0.20 2.07 -1.18 -3.09 116.25 115.01 3fi0 h VAL 310 Ca 0.34 -1.18 0.06 0.00 0.82 0.00 0.00 66.70 66.73 3fi0 h VAL 310 Cb 0.31 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 3fi0 h VAL 310 CO -0.24 0.21 0.36 0.00 0.02 0.00 0.00 177.57 177.93 3fi0 h ALA 311 N -0.41 0.88 -0.27 1.67 0.00 -0.50 -2.31 119.26 118.32 3fi0 h ALA 311 Ca -0.02 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3fi0 h ALA 311 Cb 0.51 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3fi0 h ALA 311 CO 0.03 0.04 0.06 0.77 0.00 0.00 0.00 179.25 180.15 3fi0 h SER 312 N 0.67 0.35 0.00 0.00 0.02 0.12 -1.00 113.55 113.71 3fi0 h SER 312 Ca 0.29 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3fi0 h SER 312 Cb 0.18 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3fi0 h SER 312 CO -0.18 0.36 0.00 1.21 -1.14 0.00 0.00 176.83 177.08 3fi0 n GLU 313 N -4.38 0.59 0.00 3.45 4.07 -0.87 -2.12 120.64 121.38 3fi0 n GLU 313 Ca 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 3fi0 n GLU 313 Cb 0.17 -1.27 0.00 0.00 -0.06 0.00 0.00 31.44 30.28 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 0.35 0.00 -0.10 6.31 0.31 -0.38 -1.86 118.33 122.96 3fi0 n VAL 315 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 3fi0 n VAL 315 Cb 0.19 0.00 0.48 0.00 -0.91 0.00 0.00 33.84 33.60 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 0.44 -0.99 5.55 2.43 -1.69 0.71 114.38 120.83 3fi0 h ARG 316 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3fi0 h ARG 316 Cb 0.00 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3fi0 h ARG 316 CO 0.00 0.29 0.00 1.63 -1.51 0.00 0.00 179.97 180.38 3fi0 n LYS 317 N -4.47 0.71 0.00 0.20 5.02 -0.78 -1.91 118.16 116.93 3fi0 n LYS 317 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3fi0 n LYS 317 Cb 0.37 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 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 0.38 0.00 0.11 1.97 1.02 0.24 -2.58 120.64 121.78 3fi0 n GLU 319 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 3fi0 n GLU 319 Cb 0.26 0.00 0.50 0.00 -0.02 0.00 0.00 31.44 32.18 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 0.31 -0.94 3.49 4.15 -1.62 0.66 115.11 121.17 3fi0 h GLN 320 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3fi0 h GLN 320 Cb 0.00 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.62 3fi0 h GLN 320 CO 0.00 0.23 0.00 0.00 -1.93 0.00 0.00 178.83 177.13 3fi0 n ALA 321 N -2.50 2.37 -2.03 3.38 0.00 -1.07 -4.78 120.51 115.89 3fi0 n ALA 321 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 3fi0 n ALA 321 Cb 0.09 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 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 0.79 3.75 0.00 0.00 0.20 -4.98 105.19 105.09 3fi0 n GLY 323 Ca 0.00 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 4.51 0.00 0.99 1.43 0.58 -4.88 118.68 121.31 3fi0 s LEU 324 Ca 0.02 1.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.73 3fi0 s LEU 324 Cb 0.02 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.89 3fi0 s LEU 324 CO -0.01 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.24 3fi0 n GLY 325 N 2.09 3.71 0.00 -3.19 0.00 -1.26 -4.52 105.19 102.02 3fi0 n GLY 325 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3fi0 n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86