#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fb1 n SER 4 N 0.00 0.00 -4.71 1.62 7.64 -1.26 -4.21 113.62 112.70 3fb1 n SER 4 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 3fb1 n SER 4 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 3fb1 n SER 4 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3fb1 s VAL 5 N 0.00 4.69 0.11 0.44 -7.23 -1.26 -5.06 120.40 112.09 3fb1 s VAL 5 Ca 0.00 -0.10 -0.34 0.00 -1.81 0.00 0.00 61.98 59.73 3fb1 s VAL 5 Cb 0.00 -3.02 -0.14 0.00 0.56 0.00 0.00 36.38 33.78 3fb1 s VAL 5 CO 0.00 0.58 1.58 0.41 -0.31 0.00 0.00 175.10 177.36 3fb1 n THR 6 N 2.43 0.08 -0.88 5.32 -1.04 -1.26 -4.61 114.28 114.32 3fb1 n THR 6 Ca -0.19 -0.01 -0.21 0.00 -2.04 0.00 0.00 64.05 61.60 3fb1 n THR 6 Cb 0.54 -1.46 -0.07 0.00 -1.82 0.00 0.00 70.33 67.52 3fb1 n THR 6 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fb1 n ALA 7 N 3.73 5.56 -1.99 2.41 0.00 -1.26 -4.59 120.51 124.36 3fb1 n ALA 7 Ca 0.18 -2.11 -0.19 0.00 0.00 0.00 0.00 53.44 51.32 3fb1 n ALA 7 Cb 0.27 -2.80 0.03 0.00 0.00 0.00 0.00 19.45 16.95 3fb1 n ALA 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fb1 s ASN 8 N 2.62 5.35 0.30 0.00 2.20 -1.26 -4.90 114.94 119.24 3fb1 s ASN 8 Ca 0.51 -0.27 0.02 0.00 -0.94 0.00 0.00 52.86 52.18 3fb1 s ASN 8 Cb 0.18 -0.63 0.56 0.00 -2.00 0.00 0.00 41.25 39.36 3fb1 s ASN 8 CO -0.03 -1.06 1.89 -0.29 -2.94 0.00 0.00 177.10 174.68 3fb1 h ILE 9 N 0.27 1.01 -0.18 0.54 6.09 -1.96 -1.35 117.51 121.93 3fb1 h ILE 9 Ca -0.40 -0.34 -0.03 0.00 -1.37 0.00 0.00 64.86 62.72 3fb1 h ILE 9 Cb 1.29 -0.07 -0.01 0.00 0.47 0.00 0.00 36.82 38.50 3fb1 h ILE 9 CO 0.48 0.18 0.00 -0.33 -3.07 0.00 0.00 178.15 175.41 3fb1 h GLU 10 N 0.99 0.33 -0.12 2.19 3.07 -1.95 0.96 114.58 120.05 3fb1 h GLU 10 Ca 0.42 -0.10 -0.18 0.00 -0.50 0.00 0.00 59.36 58.99 3fb1 h GLU 10 Cb 0.31 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.19 3fb1 h GLU 10 CO -0.18 0.53 -0.69 -0.91 -1.40 0.00 0.00 179.01 176.37 3fb1 h ASN 11 N 0.08 0.59 -0.35 1.42 2.35 -1.76 -1.90 115.58 116.00 3fb1 h ASN 11 Ca 0.05 -0.36 -0.05 0.00 -0.55 0.00 0.00 56.30 55.39 3fb1 h ASN 11 Cb 0.38 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 3fb1 h ASN 11 CO 0.01 1.10 0.03 0.58 -1.65 0.00 0.00 177.43 177.51 3fb1 h VAL 12 N 0.36 1.25 -0.66 2.81 2.07 -1.19 -2.02 116.25 118.86 3fb1 h VAL 12 Ca -0.02 -0.89 0.04 0.00 0.82 0.00 0.00 66.70 66.64 3fb1 h VAL 12 Cb 1.26 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 3fb1 h VAL 12 CO 0.12 0.30 0.40 0.11 0.02 0.00 0.00 177.57 178.52 3fb1 h LYS 13 N 0.42 0.75 -0.21 1.57 1.57 -0.70 0.13 116.57 120.10 3fb1 h LYS 13 Ca 0.10 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3fb1 h LYS 13 Cb 0.40 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3fb1 h LYS 13 CO 0.01 0.50 0.07 0.87 -0.57 0.00 0.00 179.45 180.33 3fb1 h LYS 14 N 0.78 0.16 -0.14 3.15 1.57 -1.15 -0.03 116.57 120.90 3fb1 h LYS 14 Ca 0.27 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3fb1 h LYS 14 Cb 0.06 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3fb1 h LYS 14 CO -0.12 0.11 0.07 0.28 -0.57 0.00 0.00 179.45 179.21 3fb1 h VAL 15 N 0.17 1.10 -0.70 0.50 2.07 -0.80 -1.09 116.25 117.49 3fb1 h VAL 15 Ca 0.09 -0.28 0.08 0.00 0.82 0.00 0.00 66.70 67.42 3fb1 h VAL 15 Cb 0.07 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 3fb1 h VAL 15 CO -0.10 0.09 0.36 0.00 0.02 0.00 0.00 177.57 177.94 3fb1 h ALA 16 N 0.97 0.96 -0.41 1.67 0.00 -0.46 -0.97 119.26 121.02 3fb1 h ALA 16 Ca 0.05 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 3fb1 h ALA 16 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3fb1 h ALA 16 CO -0.01 -0.02 -0.28 0.45 0.00 0.00 0.00 179.25 179.39 3fb1 h HIS 17 N 0.62 1.02 -0.17 0.00 -0.00 -0.70 0.22 115.15 116.14 3fb1 h HIS 17 Ca 0.34 -0.26 0.02 0.00 -0.00 0.00 0.00 60.37 60.46 3fb1 h HIS 17 Cb 0.32 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.48 3fb1 h HIS 17 CO -0.10 1.05 0.05 0.45 -0.00 0.00 0.00 177.93 179.38 3fb1 h HIS 18 N 0.75 0.09 -0.70 2.45 3.86 -0.67 -1.83 115.15 119.09 3fb1 h HIS 18 Ca 0.09 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.32 3fb1 h HIS 18 Cb 0.84 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 29.26 3fb1 h HIS 18 CO 0.05 0.04 0.46 0.82 0.86 0.00 0.00 177.93 180.16 3fb1 h ILE 19 N 0.13 1.15 0.00 2.45 2.04 -0.87 -1.98 117.51 120.43 3fb1 h ILE 19 Ca 0.07 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 3fb1 h ILE 19 Cb 0.05 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 3fb1 h ILE 19 CO -0.08 0.17 -0.06 1.56 0.00 0.00 0.00 178.15 179.74 3fb1 h GLN 20 N 0.92 0.00 0.00 2.37 4.20 -0.17 0.12 115.11 122.55 3fb1 h GLN 20 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3fb1 h GLN 20 Cb -0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.72 3fb1 h GLN 20 CO -0.07 0.06 0.00 0.87 -0.67 0.00 0.00 178.83 179.01 3fb1 h LYS 21 N 0.00 0.00 0.00 1.46 1.57 -0.55 -3.24 116.57 115.81 3fb1 h LYS 21 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fb1 h LYS 21 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3fb1 h LYS 21 CO 0.01 0.00 -0.65 1.28 -0.57 0.00 0.00 179.45 179.52 3fb1 n LEU 22 N -2.35 0.62 -3.71 2.94 4.32 0.38 -4.97 117.00 114.23 3fb1 n LEU 22 Ca 0.03 -0.49 -0.14 0.00 -0.02 0.00 0.00 56.01 55.39 3fb1 n LEU 22 Cb 0.33 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.05 3fb1 n LEU 22 CO 0.25 0.16 0.10 0.28 -1.22 0.00 0.00 177.39 176.96 3fb1 s THR 23 N -2.28 0.04 -2.53 -5.08 -1.32 -0.89 -5.00 115.64 98.59 3fb1 s THR 23 Ca 0.05 -0.37 0.27 0.00 -1.21 0.00 0.00 61.69 60.43 3fb1 s THR 23 Cb 0.10 -0.68 0.40 0.00 -1.51 0.00 0.00 72.50 70.80 3fb1 s THR 23 CO 0.55 -0.20 1.57 -1.54 -2.21 0.00 0.00 174.62 172.78 3fb1 n SER 24 N 1.27 1.87 -4.63 8.08 3.41 -1.26 -4.64 113.62 117.72 3fb1 n SER 24 Ca -0.21 -1.57 -0.43 0.00 -0.26 0.00 0.00 58.87 56.41 3fb1 n SER 24 Cb 0.56 0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 3fb1 n SER 24 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3fb1 s ILE 25 N -2.08 4.33 -0.61 -1.33 -1.09 -1.26 -4.98 121.20 114.19 3fb1 s ILE 25 Ca 0.33 1.50 -0.20 0.00 -2.23 0.00 0.00 60.65 60.05 3fb1 s ILE 25 Cb 0.20 -4.38 0.10 0.00 -1.58 0.00 0.00 42.46 36.80 3fb1 s ILE 25 CO 0.36 -0.59 0.76 -0.69 -1.23 0.00 0.00 174.94 173.55 3fb1 s VAL 26 N 4.05 4.73 0.21 2.92 1.01 -1.26 -5.01 120.40 127.05 3fb1 s VAL 26 Ca 0.49 -0.90 -0.31 0.00 0.00 0.00 0.00 61.98 61.27 3fb1 s VAL 26 Cb -0.12 -4.53 -0.10 0.00 0.00 0.00 0.00 36.38 31.63 3fb1 s VAL 26 CO 0.21 -1.20 1.46 -2.16 0.00 0.00 0.00 175.10 173.42 3fb1 s PRO 27 N 2.92 4.26 -0.10 2.72 0.05 -1.26 -4.76 135.00 138.83 3fb1 s PRO 27 Ca 0.14 2.29 0.17 0.00 0.05 0.00 0.00 61.00 63.65 3fb1 s PRO 27 Cb -0.22 -3.14 -0.24 0.00 0.05 0.00 0.00 34.50 30.95 3fb1 s PRO 27 CO 0.07 -0.46 0.37 -1.91 0.05 0.00 0.00 177.00 175.11 3fb1 n GLU 28 N 2.92 0.66 -4.75 4.56 2.13 0.26 -2.07 120.64 124.35 3fb1 n GLU 28 Ca 0.09 0.08 -0.28 0.00 0.66 0.00 0.00 57.16 57.71 3fb1 n GLU 28 Cb 0.40 -1.63 -0.17 0.00 0.27 0.00 0.00 31.44 30.31 3fb1 n GLU 28 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3fb1 s ILE 29 N -2.69 1.54 -0.02 6.31 1.01 -0.81 -0.08 121.20 126.46 3fb1 s ILE 29 Ca -0.07 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 3fb1 s ILE 29 Cb 0.08 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 3fb1 s ILE 29 CO 0.83 0.45 0.06 -0.83 0.00 0.00 0.00 174.94 175.45 3fb1 s GLY 30 N 0.65 1.97 -0.05 6.18 0.00 0.75 -0.81 107.32 116.01 3fb1 s GLY 30 Ca -0.14 -0.86 -0.00 0.00 0.00 0.00 0.00 44.72 43.72 3fb1 s GLY 30 CO 0.04 -0.71 -0.00 -0.42 0.00 0.00 0.00 173.10 172.00 3fb1 s ILE 31 N -1.12 0.29 -0.20 0.90 1.01 -0.16 0.36 121.20 122.28 3fb1 s ILE 31 Ca 0.20 0.09 -0.05 0.00 0.00 0.00 0.00 60.65 60.90 3fb1 s ILE 31 Cb -0.12 -0.41 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 3fb1 s ILE 31 CO 0.11 0.21 -0.01 -0.63 0.00 0.00 0.00 174.94 174.62 3fb1 s ILE 32 N 1.47 3.84 -0.18 2.92 1.01 0.67 0.17 121.20 131.10 3fb1 s ILE 32 Ca -0.03 -0.35 -0.15 0.00 0.00 0.00 0.00 60.65 60.12 3fb1 s ILE 32 Cb -0.13 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 3fb1 s ILE 32 CO -0.03 0.43 0.37 0.00 0.00 0.00 0.00 174.94 175.71 3fb1 s GLY 34 N 0.80 1.79 0.01 0.00 0.00 -1.10 -4.56 107.32 104.26 3fb1 s GLY 34 Ca 0.19 -1.45 -0.33 0.00 0.00 0.00 0.00 44.72 43.12 3fb1 s GLY 34 CO 0.07 -0.71 1.81 1.44 0.00 0.00 0.00 173.10 175.71 3fb1 n SER 35 N -3.51 3.52 -0.48 1.64 7.64 -1.26 -0.92 113.62 120.25 3fb1 n SER 35 Ca 0.16 0.99 -0.06 0.00 1.01 0.00 0.00 58.87 60.97 3fb1 n SER 35 Cb 0.60 -1.42 -0.03 0.00 -1.01 0.00 0.00 64.21 62.35 3fb1 n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fb1 n GLY 36 N 4.16 0.81 0.39 0.23 0.00 -1.26 -4.61 105.19 104.91 3fb1 n GLY 36 Ca 0.20 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.98 3fb1 n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fb1 n LEU 37 N -0.72 2.87 0.23 0.99 4.32 -0.10 -3.64 117.00 120.96 3fb1 n LEU 37 Ca -0.06 -2.84 0.12 0.00 -0.02 0.00 0.00 56.01 53.21 3fb1 n LEU 37 Cb 0.31 -0.40 0.72 0.00 -1.62 0.00 0.00 43.42 42.43 3fb1 n LEU 37 CO 0.10 0.67 1.10 1.23 -1.22 0.00 0.00 177.39 179.27 3fb1 h GLY 38 N 0.78 0.00 -1.16 -0.72 0.00 -1.91 -3.35 103.07 96.70 3fb1 h GLY 38 Ca 0.00 0.00 0.44 0.00 0.00 0.00 0.00 47.33 47.77 3fb1 h GLY 38 CO 0.08 0.00 0.76 0.50 0.00 0.00 0.00 176.54 177.87 3fb1 h LYS 39 N 0.00 0.04 -0.49 4.80 1.57 -1.87 0.30 116.57 120.92 3fb1 h LYS 39 Ca 0.04 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3fb1 h LYS 39 Cb 0.17 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 3fb1 h LYS 39 CO -0.00 0.02 0.28 1.25 -0.57 0.00 0.00 179.45 180.43 3fb1 h LEU 40 N 0.04 0.44 -0.87 2.94 5.85 -1.86 -0.89 115.31 120.95 3fb1 h LEU 40 Ca 0.85 0.01 0.18 0.00 0.84 0.00 0.00 57.88 59.76 3fb1 h LEU 40 Cb 2.54 -0.08 -0.16 0.00 0.37 0.00 0.00 40.66 43.33 3fb1 h LEU 40 CO -0.56 0.31 -0.20 0.00 -0.34 0.00 0.00 178.44 177.65 3fb1 h ALA 41 N 1.24 0.61 0.00 1.25 0.00 -0.68 0.54 119.26 122.22 3fb1 h ALA 41 Ca 0.21 0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3fb1 h ALA 41 Cb 0.06 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3fb1 h ALA 41 CO -0.11 -0.40 0.00 -0.44 0.00 0.00 0.00 179.25 178.29 3fb1 h ASP 42 N 0.00 0.00 -0.23 0.00 3.32 -1.23 -3.05 116.42 115.24 3fb1 h ASP 42 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3fb1 h ASP 42 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3fb1 h ASP 42 CO -0.89 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.24 3fb1 n GLY 43 N 0.58 0.25 3.71 2.75 0.00 0.18 -4.86 105.19 107.81 3fb1 n GLY 43 Ca 0.03 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3fb1 n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fb1 s VAL 44 N -1.68 3.99 0.10 1.61 1.01 -1.15 -4.91 120.40 119.37 3fb1 s VAL 44 Ca 0.16 1.43 -0.08 0.00 0.00 0.00 0.00 61.98 63.48 3fb1 s VAL 44 Cb 0.09 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 3fb1 s VAL 44 CO 0.10 0.11 0.39 -0.54 0.00 0.00 0.00 175.10 175.17 3fb1 s LYS 45 N 1.05 3.72 -1.47 2.72 1.02 -0.38 -4.17 119.74 122.23 3fb1 s LYS 45 Ca 0.59 0.10 -0.11 0.00 0.02 0.00 0.00 55.97 56.57 3fb1 s LYS 45 Cb -0.30 -2.94 0.06 0.00 -0.52 0.00 0.00 37.83 34.13 3fb1 s LYS 45 CO 0.29 0.53 0.95 -0.25 -0.92 0.00 0.00 175.35 175.96 3fb1 n ASP 46 N 0.66 -4.28 -4.77 2.83 8.00 -1.26 -1.36 116.55 116.37 3fb1 n ASP 46 Ca -0.06 -0.76 -0.40 0.00 0.71 0.00 0.00 54.79 54.28 3fb1 n ASP 46 Cb 0.52 -4.04 -0.06 0.00 -0.02 0.00 0.00 41.12 37.53 3fb1 n ASP 46 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3fb1 s LYS 47 N -6.47 4.65 -0.17 -1.24 -2.85 -1.26 -4.53 119.74 107.88 3fb1 s LYS 47 Ca 0.53 1.25 -0.04 0.00 -1.00 0.00 0.00 55.97 56.71 3fb1 s LYS 47 Cb -0.26 -3.27 -0.03 0.00 -2.06 0.00 0.00 37.83 32.21 3fb1 s LYS 47 CO 0.82 0.54 -0.02 0.42 0.10 0.00 0.00 175.35 177.20 3fb1 s ILE 48 N -1.08 4.01 -0.21 3.79 1.01 0.19 -4.95 121.20 123.96 3fb1 s ILE 48 Ca 0.38 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.67 3fb1 s ILE 48 Cb -0.24 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 3fb1 s ILE 48 CO 0.28 0.48 -0.03 -0.89 0.00 0.00 0.00 174.94 174.78 3fb1 s THR 49 N 0.47 3.62 -0.30 2.92 2.01 -1.26 -0.57 115.64 122.52 3fb1 s THR 49 Ca -0.02 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 61.59 3fb1 s THR 49 Cb -0.14 -2.64 0.08 0.00 0.01 0.00 0.00 72.50 69.81 3fb1 s THR 49 CO 0.02 0.43 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.73 3fb1 s ILE 50 N 1.24 2.18 0.36 1.82 1.01 0.11 -4.96 121.20 122.97 3fb1 s ILE 50 Ca 0.03 -2.01 -0.28 0.00 0.00 0.00 0.00 60.65 58.39 3fb1 s ILE 50 Cb -0.14 -2.47 -0.11 0.00 0.01 0.00 0.00 42.46 39.74 3fb1 s ILE 50 CO -0.00 -0.35 1.45 -2.84 0.00 0.00 0.00 174.94 173.19 3fb1 s PRO 51 N 1.01 4.18 0.53 2.79 0.02 -1.26 -0.40 135.00 141.87 3fb1 s PRO 51 Ca 0.02 2.48 0.28 0.00 0.02 0.00 0.00 61.00 63.80 3fb1 s PRO 51 Cb -0.19 -3.00 1.43 0.00 0.02 0.00 0.00 34.50 32.75 3fb1 s PRO 51 CO -0.07 -0.45 1.94 1.88 -0.33 0.00 0.00 177.00 179.97 3fb1 h TYR 52 N 3.24 0.02 0.00 6.54 0.05 -0.90 0.53 116.97 126.44 3fb1 h TYR 52 Ca -0.50 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.27 3fb1 h TYR 52 Cb 1.23 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.97 3fb1 h TYR 52 CO 0.54 0.01 -0.04 1.79 -1.05 0.00 0.00 178.16 179.41 3fb1 h THR 53 N 0.01 0.22 -0.43 -2.88 1.35 -1.88 -2.44 112.91 106.86 3fb1 h THR 53 Ca 0.34 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 3fb1 h THR 53 Cb 1.35 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 3fb1 h THR 53 CO -0.01 0.04 0.00 0.29 -0.25 0.00 0.00 175.52 175.59 3fb1 n LYS 54 N -3.32 2.46 -3.89 4.72 4.76 0.18 -4.72 118.16 118.36 3fb1 n LYS 54 Ca -0.02 -2.22 -0.35 0.00 -2.87 0.00 0.00 58.31 52.85 3fb1 n LYS 54 Cb 0.19 -1.51 -0.13 0.00 -1.84 0.00 0.00 35.03 31.74 3fb1 n LYS 54 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3fb1 s ILE 55 N -1.44 3.09 0.20 -0.18 1.01 -0.92 -4.97 121.20 118.00 3fb1 s ILE 55 Ca 0.40 -1.37 -0.32 0.00 0.00 0.00 0.00 60.65 59.36 3fb1 s ILE 55 Cb 0.23 -2.78 -0.12 0.00 0.01 0.00 0.00 42.46 39.80 3fb1 s ILE 55 CO 0.31 -0.13 1.73 -2.84 0.00 0.00 0.00 174.94 174.02 3fb1 s PRO 56 N 1.27 4.12 0.00 2.79 0.02 -1.26 -1.97 135.00 139.97 3fb1 s PRO 56 Ca -0.04 2.61 0.00 0.00 0.02 0.00 0.00 61.00 63.59 3fb1 s PRO 56 Cb -0.20 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.20 3fb1 s PRO 56 CO -0.01 -0.76 0.00 0.09 -0.33 0.00 0.00 177.00 175.99 3fb1 n ASN 57 N 4.14 -2.17 -4.76 2.53 5.03 -1.26 -4.68 115.26 114.09 3fb1 n ASN 57 Ca 0.16 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.21 3fb1 n ASN 57 Cb 0.35 -1.21 -0.05 0.00 -1.02 0.00 0.00 39.78 37.85 3fb1 n ASN 57 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3fb1 s PHE 58 N -2.27 3.85 0.45 3.10 5.36 -0.83 -4.74 117.98 122.90 3fb1 s PHE 58 Ca 0.00 1.64 -0.25 0.00 -0.96 0.00 0.00 56.93 57.36 3fb1 s PHE 58 Cb 0.00 -2.85 -0.08 0.00 -0.34 0.00 0.00 43.02 39.76 3fb1 s PHE 58 CO 0.00 0.39 1.40 -1.25 -1.46 0.00 0.00 175.22 174.30 3fb1 s PRO 59 N -0.65 3.68 -0.12 10.12 0.04 -1.26 -4.91 135.00 141.89 3fb1 s PRO 59 Ca 0.39 2.35 -0.05 0.00 0.04 0.00 0.00 61.00 63.72 3fb1 s PRO 59 Cb -0.23 -2.63 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 3fb1 s PRO 59 CO 0.26 -0.80 0.07 -0.65 0.04 0.00 0.00 177.00 175.93 3fb1 s GLN 60 N -2.46 3.36 -0.13 4.56 -1.52 -1.26 -4.92 119.66 117.29 3fb1 s GLN 60 Ca 0.61 -0.28 -0.05 0.00 -1.95 0.00 0.00 55.36 53.69 3fb1 s GLN 60 Cb -0.42 -3.04 0.06 0.00 -0.22 0.00 0.00 33.01 29.39 3fb1 s GLN 60 CO 0.54 0.66 0.28 -0.08 -0.25 0.00 0.00 175.29 176.43 3fb1 s THR 61 N -0.72 -0.28 0.23 -0.19 -1.32 -1.26 -5.08 115.64 107.03 3fb1 s THR 61 Ca 0.12 0.22 0.06 0.00 -1.21 0.00 0.00 61.69 60.88 3fb1 s THR 61 Cb -0.12 -0.45 -0.04 0.00 -1.51 0.00 0.00 72.50 70.39 3fb1 s THR 61 CO 0.03 0.09 0.18 -0.44 -2.21 0.00 0.00 174.62 172.26 3fb1 s SER 62 N 1.97 5.52 -0.01 8.08 0.01 -1.26 -1.56 113.70 126.45 3fb1 s SER 62 Ca -0.03 -0.22 -0.07 0.00 1.31 0.00 0.00 55.95 56.94 3fb1 s SER 62 Cb -0.11 -1.41 -0.04 0.00 0.21 0.00 0.00 66.02 64.67 3fb1 s SER 62 CO -0.09 -0.01 0.56 0.58 0.41 0.00 0.00 173.24 174.69 3fb1 h VAL 63 N 1.65 0.00 -1.63 3.43 2.07 -1.34 -3.44 116.25 116.99 3fb1 h VAL 63 Ca -0.48 -0.20 -0.25 0.00 0.82 0.00 0.00 66.70 66.59 3fb1 h VAL 63 Cb 1.23 0.00 -0.27 0.00 -1.52 0.00 0.00 31.29 30.73 3fb1 h VAL 63 CO 0.61 0.00 -0.59 0.54 0.02 0.00 0.00 177.57 178.15 3fb1 s VAL 64 N -2.55 -0.58 0.00 2.57 0.11 -1.26 -4.80 120.40 113.89 3fb1 s VAL 64 Ca -0.03 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 3fb1 s VAL 64 Cb 0.00 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.32 3fb1 s VAL 64 CO 0.10 -0.36 0.00 0.61 -3.33 0.00 0.00 175.10 172.12 3fb1 n GLY 65 N 4.49 2.93 3.66 6.54 0.00 -1.26 -5.01 105.19 116.54 3fb1 n GLY 65 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 3fb1 n GLY 65 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fb1 s HIS 66 N -1.12 3.34 0.37 1.61 0.09 -1.26 -4.94 115.29 113.38 3fb1 s HIS 66 Ca 0.00 0.43 -0.28 0.00 -0.00 0.00 0.00 55.06 55.21 3fb1 s HIS 66 Cb 0.00 -2.41 -0.11 0.00 -0.00 0.00 0.00 32.58 30.06 3fb1 s HIS 66 CO 0.00 0.02 1.51 0.45 -0.00 0.00 0.00 174.74 176.72 3fb1 s SER 67 N 1.07 6.32 0.95 1.40 0.15 -1.26 -0.89 113.70 121.43 3fb1 s SER 67 Ca 0.14 3.06 -0.12 0.00 0.70 0.00 0.00 55.95 59.73 3fb1 s SER 67 Cb -0.14 -2.66 0.16 0.00 -1.71 0.00 0.00 66.02 61.66 3fb1 s SER 67 CO 0.06 -0.90 1.09 -0.83 1.20 0.00 0.00 173.24 173.86 3fb1 s GLY 68 N -0.02 1.60 0.08 9.45 0.00 -0.60 -4.76 107.32 113.07 3fb1 s GLY 68 Ca 0.55 -0.12 0.07 0.00 0.00 0.00 0.00 44.72 45.22 3fb1 s GLY 68 CO 0.61 0.42 -0.19 -1.31 0.00 0.00 0.00 173.10 172.63 3fb1 s ASN 69 N -3.32 2.30 -0.29 1.64 0.01 0.56 -0.22 114.94 115.62 3fb1 s ASN 69 Ca 0.64 -0.62 -0.13 0.00 -0.71 0.00 0.00 52.86 52.04 3fb1 s ASN 69 Cb -0.19 -0.13 -0.04 0.00 0.41 0.00 0.00 41.25 41.30 3fb1 s ASN 69 CO 0.58 0.05 0.29 -0.22 -1.51 0.00 0.00 177.10 176.30 3fb1 s LEU 70 N -1.66 4.14 -0.29 0.60 2.96 0.47 0.19 118.68 125.08 3fb1 s LEU 70 Ca 0.05 0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 53.95 3fb1 s LEU 70 Cb -0.10 -2.28 0.03 0.00 0.50 0.00 0.00 46.19 44.34 3fb1 s LEU 70 CO 0.03 -0.17 0.03 -0.63 -1.32 0.00 0.00 176.35 174.29 3fb1 s ILE 71 N 1.92 3.45 -0.02 6.68 1.01 0.26 0.07 121.20 134.58 3fb1 s ILE 71 Ca 0.11 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.75 3fb1 s ILE 71 Cb -0.16 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 3fb1 s ILE 71 CO 0.11 0.04 0.14 -0.36 0.00 0.00 0.00 174.94 174.87 3fb1 s PHE 72 N 1.39 3.47 -2.84 3.97 0.40 0.26 0.25 117.98 124.88 3fb1 s PHE 72 Ca -0.00 0.32 0.00 0.00 -0.60 0.00 0.00 56.93 56.65 3fb1 s PHE 72 Cb -0.18 -1.81 0.00 0.00 0.51 0.00 0.00 43.02 41.54 3fb1 s PHE 72 CO -0.00 0.62 0.00 0.41 0.70 0.00 0.00 175.22 176.95 3fb1 n GLY 73 N 1.14 -0.55 3.55 4.36 0.00 -0.92 0.55 105.19 113.31 3fb1 n GLY 73 Ca -0.13 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 3fb1 n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fb1 s THR 74 N -3.29 2.95 -0.15 2.61 -4.23 -0.47 0.02 115.64 113.09 3fb1 s THR 74 Ca 0.00 -2.02 -0.04 0.00 -1.18 0.00 0.00 61.69 58.44 3fb1 s THR 74 Cb 0.00 -2.53 0.07 0.00 1.34 0.00 0.00 72.50 71.39 3fb1 s THR 74 CO 0.00 -0.29 0.25 -0.22 -0.54 0.00 0.00 174.62 173.82 3fb1 s LEU 75 N -3.30 -0.26 -1.48 4.79 2.96 0.06 -1.24 118.68 120.21 3fb1 s LEU 75 Ca 0.28 0.39 -0.11 0.00 -0.22 0.00 0.00 54.13 54.47 3fb1 s LEU 75 Cb -0.07 0.62 0.06 0.00 0.50 0.00 0.00 46.19 47.31 3fb1 s LEU 75 CO 0.16 -0.26 0.98 -1.20 -1.32 0.00 0.00 176.35 174.71 3fb1 n SER 76 N 5.34 -4.55 -0.20 3.68 7.64 -1.26 -1.02 113.62 123.26 3fb1 n SER 76 Ca -0.06 -0.75 -0.03 0.00 1.01 0.00 0.00 58.87 59.05 3fb1 n SER 76 Cb 0.50 -4.07 -0.01 0.00 -1.01 0.00 0.00 64.21 59.61 3fb1 n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fb1 n GLY 77 N -1.72 0.48 3.54 0.23 0.00 -1.26 -4.52 105.19 101.94 3fb1 n GLY 77 Ca -0.01 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 3fb1 n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fb1 s ARG 78 N -1.45 2.54 -0.06 1.61 1.81 -0.19 -5.05 118.95 118.16 3fb1 s ARG 78 Ca 0.00 -0.69 -0.30 0.00 -1.72 0.00 0.00 55.73 53.02 3fb1 s ARG 78 Cb 0.00 -2.45 -0.03 0.00 -0.45 0.00 0.00 34.95 32.02 3fb1 s ARG 78 CO 0.00 0.62 1.16 0.15 -0.68 0.00 0.00 175.30 176.55 3fb1 s LYS 79 N -1.01 4.38 0.18 3.54 1.02 -1.26 -0.76 119.74 125.82 3fb1 s LYS 79 Ca 0.14 1.62 0.07 0.00 0.02 0.00 0.00 55.97 57.81 3fb1 s LYS 79 Cb -0.11 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.62 3fb1 s LYS 79 CO 0.03 -0.40 -0.14 0.14 -0.92 0.00 0.00 175.35 174.06 3fb1 s VAL 80 N 2.06 1.62 -0.07 3.17 -7.23 0.10 -0.57 120.40 119.49 3fb1 s VAL 80 Ca 0.54 -2.08 0.04 0.00 -1.81 0.00 0.00 61.98 58.67 3fb1 s VAL 80 Cb -0.24 -1.92 0.00 0.00 0.56 0.00 0.00 36.38 34.79 3fb1 s VAL 80 CO 0.22 -0.55 -0.18 0.54 -0.31 0.00 0.00 175.10 174.82 3fb1 s VAL 81 N -2.76 1.57 -0.12 1.32 0.11 0.01 -2.17 120.40 118.36 3fb1 s VAL 81 Ca 0.19 -0.76 0.01 0.00 -2.93 0.00 0.00 61.98 58.49 3fb1 s VAL 81 Cb -0.02 -1.37 -0.01 0.00 -1.53 0.00 0.00 36.38 33.45 3fb1 s VAL 81 CO 0.05 0.45 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.43 3fb1 s VAL 82 N 0.33 2.81 -0.47 2.04 1.01 0.14 -0.99 120.40 125.28 3fb1 s VAL 82 Ca -0.12 -0.75 -0.22 0.00 0.00 0.00 0.00 61.98 60.89 3fb1 s VAL 82 Cb -0.15 -2.16 0.03 0.00 0.00 0.00 0.00 36.38 34.10 3fb1 s VAL 82 CO 0.05 0.53 0.73 -0.04 0.00 0.00 0.00 175.10 176.37 3fb1 s MET 83 N 0.36 3.31 -0.81 2.72 -1.94 0.13 -0.57 119.30 122.49 3fb1 s MET 83 Ca -0.13 -0.34 -0.17 0.00 -1.71 0.00 0.00 55.69 53.35 3fb1 s MET 83 Cb -0.16 -3.98 0.17 0.00 2.01 0.00 0.00 34.83 32.86 3fb1 s MET 83 CO 0.06 -1.13 0.87 -1.14 -0.01 0.00 0.00 175.02 173.67 3fb1 s GLN 84 N 3.09 3.49 0.00 2.03 0.74 0.13 -3.11 119.66 126.02 3fb1 s GLN 84 Ca 0.25 -2.00 0.00 0.00 0.05 0.00 0.00 55.36 53.66 3fb1 s GLN 84 Cb -0.14 -4.56 0.00 0.00 1.10 0.00 0.00 33.01 29.41 3fb1 s GLN 84 CO 0.19 -1.50 0.00 0.41 -0.55 0.00 0.00 175.29 173.84 3fb1 n GLY 85 N 4.76 2.01 4.01 2.59 0.00 -1.26 -0.32 105.19 116.97 3fb1 n GLY 85 Ca 0.12 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.15 3fb1 n GLY 85 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fb1 s ARG 86 N -1.31 2.31 -0.27 1.61 1.70 -1.26 -4.85 118.95 116.88 3fb1 s ARG 86 Ca 0.00 -1.34 0.00 0.00 -0.47 0.00 0.00 55.73 53.92 3fb1 s ARG 86 Cb 0.00 -2.59 0.05 0.00 -0.57 0.00 0.00 34.95 31.84 3fb1 s ARG 86 CO 0.00 -0.84 -0.06 -0.06 -1.08 0.00 0.00 175.30 173.26 3fb1 s PHE 87 N -2.71 3.20 -0.09 5.89 0.08 -1.26 -4.96 117.98 118.14 3fb1 s PHE 87 Ca 0.61 -1.96 -0.14 0.00 0.12 0.00 0.00 56.93 55.55 3fb1 s PHE 87 Cb -0.07 -2.02 -0.05 0.00 -0.57 0.00 0.00 43.02 40.31 3fb1 s PHE 87 CO 0.39 -0.82 0.34 -1.01 -0.10 0.00 0.00 175.22 174.02 3fb1 s HIS 88 N 1.21 3.59 0.49 0.36 3.76 -1.26 -4.91 115.29 118.52 3fb1 s HIS 88 Ca -0.05 0.78 0.15 0.00 -0.15 0.00 0.00 55.06 55.78 3fb1 s HIS 88 Cb -0.19 -2.30 1.15 0.00 1.11 0.00 0.00 32.58 32.35 3fb1 s HIS 88 CO -0.04 0.44 2.09 0.52 -0.85 0.00 0.00 174.74 176.90 3fb1 h MET 89 N 5.73 0.03 0.00 1.40 0.00 -1.87 -0.75 114.93 119.47 3fb1 h MET 89 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.23 3fb1 h MET 89 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 31.60 32.79 3fb1 h MET 89 CO 0.68 0.09 0.00 0.10 0.00 0.00 0.00 176.91 177.78 3fb1 h TYR 90 N 0.03 0.00 0.00 -0.22 -0.00 -1.86 0.12 116.97 115.05 3fb1 h TYR 90 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.74 3fb1 h TYR 90 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.85 3fb1 h TYR 90 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 178.16 179.09 3fb1 h GLU 91 N 0.00 0.00 0.00 0.10 4.39 -1.49 -3.45 114.58 114.13 3fb1 h GLU 91 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3fb1 h GLU 91 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3fb1 h GLU 91 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 3fb1 n GLY 92 N 0.74 0.73 3.73 -3.84 0.00 0.43 -5.07 105.19 101.91 3fb1 n GLY 92 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3fb1 n GLY 92 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fb1 n TYR 93 N -1.55 2.44 -1.35 1.61 4.01 -1.25 -4.98 117.16 116.09 3fb1 n TYR 93 Ca 0.00 0.47 -0.30 0.00 -0.16 0.00 0.00 57.90 57.90 3fb1 n TYR 93 Cb 0.00 -2.42 0.10 0.00 -0.31 0.00 0.00 39.34 36.71 3fb1 n TYR 93 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3fb1 s SER 94 N -0.50 4.25 0.31 7.72 1.04 -1.26 -4.80 113.70 120.46 3fb1 s SER 94 Ca 0.61 1.56 0.00 0.00 0.48 0.00 0.00 55.95 58.60 3fb1 s SER 94 Cb -0.47 -2.28 0.53 0.00 0.10 0.00 0.00 66.02 63.89 3fb1 s SER 94 CO 0.58 -2.16 1.95 0.78 0.98 0.00 0.00 173.24 175.37 3fb1 h ASN 95 N -1.22 0.88 -0.46 7.02 2.35 -1.89 -2.07 115.58 120.19 3fb1 h ASN 95 Ca -0.46 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.20 3fb1 h ASN 95 Cb 1.26 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.40 3fb1 h ASN 95 CO 0.55 0.60 0.01 0.44 -1.65 0.00 0.00 177.43 177.39 3fb1 h ASP 96 N 1.02 0.84 -0.45 5.81 3.32 -1.88 0.32 116.42 125.40 3fb1 h ASP 96 Ca 0.34 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3fb1 h ASP 96 Cb 0.05 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3fb1 h ASP 96 CO -0.10 0.89 0.28 0.74 -1.72 0.00 0.00 179.24 179.33 3fb1 h THR 97 N 0.81 1.13 -0.02 0.35 2.02 -1.56 0.72 112.91 116.36 3fb1 h THR 97 Ca 0.16 -0.27 -0.25 0.00 0.77 0.00 0.00 66.41 66.82 3fb1 h THR 97 Cb 0.46 0.50 0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3fb1 h THR 97 CO 0.02 0.13 -0.97 0.58 0.37 0.00 0.00 175.52 175.64 3fb1 h VAL 98 N 0.60 1.32 -0.51 3.16 2.07 -0.98 -3.27 116.25 118.64 3fb1 h VAL 98 Ca 0.16 -2.27 -0.12 0.00 0.82 0.00 0.00 66.70 65.30 3fb1 h VAL 98 Cb -0.04 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 3fb1 h VAL 98 CO -0.03 0.70 -0.13 0.00 0.02 0.00 0.00 177.57 178.12 3fb1 h ALA 99 N 0.54 0.79 -0.11 1.67 0.00 -0.26 -3.35 119.26 118.54 3fb1 h ALA 99 Ca -0.10 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.49 3fb1 h ALA 99 Cb 1.62 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 3fb1 h ALA 99 CO 0.19 0.66 -0.22 1.25 0.00 0.00 0.00 179.25 181.13 3fb1 h LEU 100 N 0.87 -0.67 -1.50 0.00 5.85 -0.90 -1.89 115.31 117.08 3fb1 h LEU 100 Ca 0.13 0.11 0.10 0.00 0.84 0.00 0.00 57.88 59.06 3fb1 h LEU 100 Cb 0.69 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 41.98 3fb1 h LEU 100 CO 0.05 -0.27 0.46 -0.65 -0.34 0.00 0.00 178.44 177.69 3fb1 h PRO 101 N -0.29 0.55 -0.25 5.25 0.11 -1.73 0.22 132.00 135.87 3fb1 h PRO 101 Ca 0.10 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.02 3fb1 h PRO 101 Cb 0.43 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 3fb1 h PRO 101 CO -0.28 0.36 -0.44 0.82 -0.21 0.00 0.00 178.00 178.26 3fb1 h ILE 102 N 0.57 1.30 -0.18 4.15 1.08 -1.55 -0.08 117.51 122.80 3fb1 h ILE 102 Ca 0.32 -1.64 -0.12 0.00 -0.39 0.00 0.00 64.86 63.04 3fb1 h ILE 102 Cb 0.50 1.72 -0.01 0.00 -3.07 0.00 0.00 36.82 35.96 3fb1 h ILE 102 CO -0.11 0.52 -0.40 0.03 -0.69 0.00 0.00 178.15 177.51 3fb1 h ARG 103 N 0.48 0.40 -0.35 2.37 3.08 -0.66 0.37 114.38 120.06 3fb1 h ARG 103 Ca 0.02 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 3fb1 h ARG 103 Cb 1.04 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 3fb1 h ARG 103 CO 0.10 0.74 0.20 0.28 -1.07 0.00 0.00 179.97 180.22 3fb1 h VAL 104 N 0.34 1.13 -0.70 2.04 2.07 -0.40 -1.79 116.25 118.94 3fb1 h VAL 104 Ca 0.03 -0.34 0.09 0.00 0.82 0.00 0.00 66.70 67.31 3fb1 h VAL 104 Cb 0.85 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 31.26 3fb1 h VAL 104 CO 0.07 0.14 0.34 0.24 0.02 0.00 0.00 177.57 178.37 3fb1 h MET 105 N 0.45 0.56 0.09 1.57 2.86 -0.18 -0.01 114.93 120.27 3fb1 h MET 105 Ca 0.12 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3fb1 h MET 105 Cb 0.04 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 3fb1 h MET 105 CO -0.02 0.37 -0.20 -0.22 1.06 0.00 0.00 176.91 177.90 3fb1 h LYS 106 N 0.58 -0.35 0.00 1.72 1.63 -0.51 -0.41 116.57 119.23 3fb1 h LYS 106 Ca 0.34 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 60.15 3fb1 h LYS 106 Cb 0.37 0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.08 3fb1 h LYS 106 CO -0.27 -0.23 -0.11 -0.07 -3.45 0.00 0.00 179.45 175.31 3fb1 h LEU 107 N -0.37 0.00 -0.86 5.20 3.38 -0.81 -1.97 115.31 119.88 3fb1 h LEU 107 Ca 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3fb1 h LEU 107 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3fb1 h LEU 107 CO -0.12 0.11 -0.27 -0.07 0.09 0.00 0.00 178.44 178.18 3fb1 h LEU 108 N 0.00 0.00 0.00 1.67 3.38 -0.06 -3.46 115.31 116.84 3fb1 h LEU 108 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fb1 h LEU 108 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3fb1 h LEU 108 CO 0.01 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.43 3fb1 n GLY 109 N 0.39 0.47 3.71 0.83 0.00 -0.74 -4.19 105.19 105.65 3fb1 n GLY 109 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3fb1 n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fb1 s VAL 110 N -1.43 2.26 -0.15 1.61 1.01 -0.26 -4.40 120.40 119.04 3fb1 s VAL 110 Ca 0.00 0.02 0.13 0.00 0.00 0.00 0.00 61.98 62.13 3fb1 s VAL 110 Cb 0.00 -3.01 -0.18 0.00 0.00 0.00 0.00 36.38 33.18 3fb1 s VAL 110 CO 0.00 0.00 0.04 0.29 0.00 0.00 0.00 175.10 175.43 3fb1 n LYS 111 N 4.83 1.47 -4.48 2.72 4.76 0.88 -4.59 118.16 123.75 3fb1 n LYS 111 Ca 0.17 -0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.38 3fb1 n LYS 111 Cb 0.37 -1.39 -0.16 0.00 -1.84 0.00 0.00 35.03 32.01 3fb1 n LYS 111 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3fb1 s ILE 112 N -2.37 0.95 -0.22 -0.18 1.01 -1.06 -1.53 121.20 117.81 3fb1 s ILE 112 Ca -0.09 -0.41 -0.05 0.00 0.00 0.00 0.00 60.65 60.11 3fb1 s ILE 112 Cb 0.05 -0.86 -0.02 0.00 0.01 0.00 0.00 42.46 41.63 3fb1 s ILE 112 CO 0.61 0.30 0.01 -0.22 0.00 0.00 0.00 174.94 175.64 3fb1 s LEU 113 N 0.47 3.19 -0.15 2.97 2.96 0.15 -0.18 118.68 128.08 3fb1 s LEU 113 Ca -0.09 -0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 53.52 3fb1 s LEU 113 Cb -0.13 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 3fb1 s LEU 113 CO 0.02 0.01 -0.04 -0.04 -1.32 0.00 0.00 176.35 174.98 3fb1 s MET 114 N 1.32 3.66 0.00 1.98 -1.94 0.16 -0.40 119.30 124.08 3fb1 s MET 114 Ca 0.04 -0.52 0.01 0.00 -1.71 0.00 0.00 55.69 53.52 3fb1 s MET 114 Cb -0.15 -2.91 -0.00 0.00 2.01 0.00 0.00 34.83 33.78 3fb1 s MET 114 CO 0.01 0.25 -0.04 0.54 -0.01 0.00 0.00 175.02 175.77 3fb1 s VAL 115 N 0.33 0.33 0.25 -6.03 0.11 0.97 -0.24 120.40 116.12 3fb1 s VAL 115 Ca -0.04 -0.25 0.11 0.00 -2.93 0.00 0.00 61.98 58.87 3fb1 s VAL 115 Cb -0.14 -0.30 -0.05 0.00 -1.53 0.00 0.00 36.38 34.36 3fb1 s VAL 115 CO 0.03 0.05 -0.20 -0.94 -3.33 0.00 0.00 175.10 170.71 3fb1 s SER 116 N -0.22 3.36 0.19 3.54 1.04 -0.62 -0.80 113.70 120.19 3fb1 s SER 116 Ca 0.01 -0.99 -0.12 0.00 0.48 0.00 0.00 55.95 55.32 3fb1 s SER 116 Cb -0.02 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.84 3fb1 s SER 116 CO -0.00 0.02 0.40 0.54 0.98 0.00 0.00 173.24 175.18 3fb1 s ASN 117 N -3.28 -0.08 -0.18 7.02 2.20 -0.46 -2.70 114.94 117.45 3fb1 s ASN 117 Ca 0.26 -0.76 -0.14 0.00 -0.94 0.00 0.00 52.86 51.29 3fb1 s ASN 117 Cb -0.05 0.52 -0.05 0.00 -2.00 0.00 0.00 41.25 39.67 3fb1 s ASN 117 CO 0.12 -1.00 0.28 0.00 -2.94 0.00 0.00 177.10 173.57 3fb1 s ALA 118 N -3.95 3.59 0.05 3.54 0.00 -1.26 -0.28 121.76 123.45 3fb1 s ALA 118 Ca 0.16 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.58 3fb1 s ALA 118 Cb 0.01 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.68 3fb1 s ALA 118 CO 0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 175.76 175.68 3fb1 s ALA 119 N 0.73 0.54 0.08 0.00 0.00 0.49 -4.71 121.76 118.89 3fb1 s ALA 119 Ca 0.15 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 50.95 3fb1 s ALA 119 Cb -0.13 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 3fb1 s ALA 119 CO 0.04 -0.11 1.01 0.20 0.00 0.00 0.00 175.76 176.90 3fb1 s GLY 120 N -1.91 2.90 -0.50 0.00 0.00 0.79 -0.54 107.32 108.06 3fb1 s GLY 120 Ca -0.06 0.62 -0.29 0.00 0.00 0.00 0.00 44.72 44.99 3fb1 s GLY 120 CO -0.02 1.61 1.24 -0.32 0.00 0.00 0.00 173.10 175.62 3fb1 s GLY 121 N 0.38 1.16 -0.17 0.20 0.00 0.21 -1.09 107.32 108.01 3fb1 s GLY 121 Ca 0.50 -0.53 -0.21 0.00 0.00 0.00 0.00 44.72 44.48 3fb1 s GLY 121 CO 0.30 2.56 0.32 1.41 0.00 0.00 0.00 173.10 177.70 3fb1 h LEU 122 N 11.86 0.00 -9.30 0.66 3.38 -0.63 0.11 115.31 121.38 3fb1 h LEU 122 Ca -0.25 -0.56 -0.65 0.00 0.09 0.00 0.00 57.88 56.51 3fb1 h LEU 122 Cb 1.07 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.86 3fb1 h LEU 122 CO 1.14 1.17 0.81 -3.20 0.09 0.00 0.00 178.44 178.46 3fb1 n ASN 123 N -4.54 2.64 0.27 -0.43 2.85 -0.28 -4.82 115.26 110.96 3fb1 n ASN 123 Ca -0.20 1.06 0.18 0.00 -0.11 0.00 0.00 54.58 55.51 3fb1 n ASN 123 Cb 0.51 -1.28 0.80 0.00 1.24 0.00 0.00 39.78 41.05 3fb1 n ASN 123 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 3fb1 h ARG 124 N 6.72 0.00 -0.00 1.20 2.47 -1.91 -2.08 114.38 120.78 3fb1 h ARG 124 Ca -0.47 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 3fb1 h ARG 124 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.61 3fb1 h ARG 124 CO 0.89 0.00 -0.05 -1.13 0.56 0.00 0.00 179.97 180.25 3fb1 n SER 125 N -2.95 0.09 -4.79 7.04 3.41 -1.26 -4.86 113.62 110.30 3fb1 n SER 125 Ca -0.00 0.02 -0.36 0.00 -0.26 0.00 0.00 58.87 58.27 3fb1 n SER 125 Cb 0.22 -0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 63.81 3fb1 n SER 125 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fb1 s LEU 126 N -2.74 4.21 0.13 1.04 1.43 -0.79 -5.07 118.68 116.89 3fb1 s LEU 126 Ca 0.22 1.79 0.09 0.00 -1.03 0.00 0.00 54.13 55.21 3fb1 s LEU 126 Cb 0.20 -4.19 -0.04 0.00 0.03 0.00 0.00 46.19 42.19 3fb1 s LEU 126 CO 0.50 -0.17 -0.17 -0.54 0.23 0.00 0.00 176.35 176.20 3fb1 s LYS 127 N -2.43 1.81 0.24 1.70 1.02 -1.26 -5.03 119.74 115.80 3fb1 s LYS 127 Ca 0.54 -1.22 -0.29 0.00 0.02 0.00 0.00 55.97 55.02 3fb1 s LYS 127 Cb -0.15 -2.10 -0.15 0.00 -0.52 0.00 0.00 37.83 34.90 3fb1 s LYS 127 CO 0.20 0.47 1.00 -0.11 -0.92 0.00 0.00 175.35 175.99 3fb1 n LEU 128 N 0.63 1.39 0.00 3.17 7.94 -1.26 -0.87 117.00 127.99 3fb1 n LEU 128 Ca -0.15 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 55.92 3fb1 n LEU 128 Cb 0.53 -1.23 0.00 0.00 0.53 0.00 0.00 43.42 43.25 3fb1 n LEU 128 CO 0.30 -1.54 0.00 0.61 -1.11 0.00 0.00 177.39 175.65 3fb1 n GLY 129 N 1.54 2.55 3.70 -3.96 0.00 0.11 -4.99 105.19 104.15 3fb1 n GLY 129 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3fb1 n GLY 129 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fb1 n ASP 130 N 0.00 1.64 -4.59 1.61 8.00 -0.05 -4.69 116.55 118.47 3fb1 n ASP 130 Ca 0.00 0.77 -0.36 0.00 0.71 0.00 0.00 54.79 55.91 3fb1 n ASP 130 Cb 0.00 -1.52 -0.11 0.00 -0.02 0.00 0.00 41.12 39.47 3fb1 n ASP 130 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3fb1 s PHE 131 N -1.56 3.23 -0.38 1.24 2.99 0.66 -0.84 117.98 123.32 3fb1 s PHE 131 Ca 0.80 0.01 -0.04 0.00 0.00 0.00 0.00 56.93 57.70 3fb1 s PHE 131 Cb -0.37 -2.22 0.09 0.00 0.00 0.00 0.00 43.02 40.53 3fb1 s PHE 131 CO 0.43 -0.04 0.16 0.08 -0.00 0.00 0.00 175.22 175.85 3fb1 s VAL 132 N 1.07 3.36 0.20 -0.44 1.01 0.15 -0.07 120.40 125.68 3fb1 s VAL 132 Ca 0.06 -1.76 -0.31 0.00 0.00 0.00 0.00 61.98 59.97 3fb1 s VAL 132 Cb -0.14 -3.16 -0.10 0.00 0.00 0.00 0.00 36.38 32.98 3fb1 s VAL 132 CO 0.04 -0.50 1.53 -0.63 0.00 0.00 0.00 175.10 175.54 3fb1 s ILE 133 N 1.22 2.59 -0.14 2.22 1.01 0.11 0.51 121.20 128.71 3fb1 s ILE 133 Ca 0.04 0.45 -0.29 0.00 0.00 0.00 0.00 60.65 60.84 3fb1 s ILE 133 Cb -0.22 -3.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 3fb1 s ILE 133 CO -0.02 0.05 1.12 -0.76 0.00 0.00 0.00 174.94 175.33 3fb1 s LEU 134 N 0.51 4.20 0.00 2.97 1.02 0.54 -0.77 118.68 127.14 3fb1 s LEU 134 Ca 0.66 1.59 0.15 0.00 0.02 0.00 0.00 54.13 56.55 3fb1 s LEU 134 Cb -0.43 -3.55 -0.13 0.00 0.02 0.00 0.00 46.19 42.10 3fb1 s LEU 134 CO 0.36 -0.62 0.68 2.29 0.02 0.00 0.00 176.35 179.09 3fb1 n LYS 135 N 5.82 1.98 -3.78 1.70 2.85 -0.52 -4.66 118.16 121.56 3fb1 n LYS 135 Ca 0.11 -0.18 -0.03 0.00 -1.05 0.00 0.00 58.31 57.17 3fb1 n LYS 135 Cb 0.46 -1.22 -0.00 0.00 -0.65 0.00 0.00 35.03 33.62 3fb1 n LYS 135 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3fb1 s ASP 136 N -2.29 -0.11 0.16 -5.58 3.68 -1.23 -4.58 116.67 106.71 3fb1 s ASP 136 Ca 0.07 -0.47 -0.07 0.00 2.13 0.00 0.00 52.55 54.21 3fb1 s ASP 136 Cb 0.12 0.47 -0.02 0.00 -1.45 0.00 0.00 42.92 42.04 3fb1 s ASP 136 CO 0.57 -0.88 0.22 -1.38 0.13 0.00 0.00 175.17 173.83 3fb1 s HIS 137 N -2.86 0.53 -0.16 -5.34 -3.43 -1.26 -2.00 115.29 100.77 3fb1 s HIS 137 Ca 0.15 -0.89 0.00 0.00 -0.80 0.00 0.00 55.06 53.52 3fb1 s HIS 137 Cb -0.01 -0.17 0.03 0.00 -1.43 0.00 0.00 32.58 31.00 3fb1 s HIS 137 CO 0.03 -0.67 -0.10 0.42 -2.00 0.00 0.00 174.74 172.42 3fb1 s ILE 138 N -3.99 1.40 -1.12 -5.38 1.01 0.55 -4.90 121.20 108.78 3fb1 s ILE 138 Ca 0.19 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 60.07 3fb1 s ILE 138 Cb 0.04 -1.45 0.28 0.00 0.01 0.00 0.00 42.46 41.35 3fb1 s ILE 138 CO 0.01 0.27 1.43 0.00 0.00 0.00 0.00 174.94 176.64 3fb1 n TYR 139 N 4.79 3.22 -0.26 3.97 -0.00 -1.26 -1.33 117.16 126.30 3fb1 n TYR 139 Ca -0.14 -2.98 0.06 0.00 -0.00 0.00 0.00 57.90 54.84 3fb1 n TYR 139 Cb 0.48 -1.48 0.20 0.00 -0.00 0.00 0.00 39.34 38.54 3fb1 n TYR 139 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 3fb1 h LEU 140 N 6.16 0.17 -1.00 2.98 3.38 -1.96 0.33 115.31 125.37 3fb1 h LEU 140 Ca 0.22 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 3fb1 h LEU 140 Cb 0.69 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 3fb1 h LEU 140 CO 1.28 0.03 0.50 -0.65 0.09 0.00 0.00 178.44 179.68 3fb1 h PRO 141 N 0.36 1.19 -0.37 1.13 0.11 -1.89 -1.20 132.00 131.34 3fb1 h PRO 141 Ca 0.43 -0.12 -0.12 0.00 0.11 0.00 0.00 66.00 66.29 3fb1 h PRO 141 Cb 0.70 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 3fb1 h PRO 141 CO -0.46 0.86 -0.27 0.78 -0.21 0.00 0.00 178.00 178.69 3fb1 h GLY 142 N 1.22 0.83 1.52 -0.55 0.00 -0.62 0.27 103.07 105.74 3fb1 h GLY 142 Ca 0.31 -0.74 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 3fb1 h GLY 142 CO -0.05 0.68 -0.17 1.41 0.00 0.00 0.00 176.54 178.41 3fb1 h LEU 143 N 0.66 0.56 0.00 3.11 3.38 -0.72 -3.37 115.31 118.93 3fb1 h LEU 143 Ca 0.08 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3fb1 h LEU 143 Cb 0.79 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3fb1 h LEU 143 CO 0.07 0.75 0.00 0.61 0.09 0.00 0.00 178.44 179.95 3fb1 n GLY 144 N -0.49 -2.14 2.04 0.83 0.00 -0.47 -4.90 105.19 100.07 3fb1 n GLY 144 Ca 0.00 -1.33 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 3fb1 n GLY 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fb1 n LEU 145 N 0.00 6.35 -1.01 0.99 4.77 -1.22 -4.50 117.00 122.38 3fb1 n LEU 145 Ca 0.00 -4.14 -0.02 0.00 -0.03 0.00 0.00 56.01 51.82 3fb1 n LEU 145 Cb 0.00 -0.77 0.17 0.00 -2.33 0.00 0.00 43.42 40.49 3fb1 n LEU 145 CO 0.00 1.46 0.44 0.59 -1.33 0.00 0.00 177.39 178.55 3fb1 n ASN 146 N -0.97 2.54 -4.75 -1.43 5.03 0.89 -4.96 115.26 111.61 3fb1 n ASN 146 Ca 0.53 -3.85 -0.41 0.00 0.87 0.00 0.00 54.58 51.72 3fb1 n ASN 146 Cb 1.01 -0.54 -0.02 0.00 -1.02 0.00 0.00 39.78 39.20 3fb1 n ASN 146 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 3fb1 s ASN 147 N -3.08 6.72 0.58 6.41 3.84 -1.21 -4.13 114.94 124.06 3fb1 s ASN 147 Ca 0.42 2.64 0.28 0.00 0.21 0.00 0.00 52.86 56.41 3fb1 s ASN 147 Cb 0.39 -2.63 1.59 0.00 -0.55 0.00 0.00 41.25 40.05 3fb1 s ASN 147 CO -0.03 -0.63 2.06 -0.29 -2.79 0.00 0.00 177.10 175.41 3fb1 h ILE 148 N 3.42 0.49 -0.00 -5.21 2.10 -1.93 -0.46 117.51 115.91 3fb1 h ILE 148 Ca -0.47 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.47 3fb1 h ILE 148 Cb 1.22 0.80 0.00 0.00 -1.09 0.00 0.00 36.82 37.75 3fb1 h ILE 148 CO 0.74 0.00 -0.15 0.18 -1.08 0.00 0.00 178.15 177.84 3fb1 n LEU 149 N -3.85 0.43 -4.68 2.19 4.77 -1.26 -4.81 117.00 109.79 3fb1 n LEU 149 Ca 0.03 0.07 -0.44 0.00 -0.03 0.00 0.00 56.01 55.64 3fb1 n LEU 149 Cb 0.40 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 3fb1 n LEU 149 CO 0.28 0.08 1.02 0.52 -1.33 0.00 0.00 177.39 177.96 3fb1 n VAL 150 N -1.09 1.01 0.00 4.08 0.31 -0.18 -4.70 118.33 117.75 3fb1 n VAL 150 Ca 0.12 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 3fb1 n VAL 150 Cb 0.30 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 3fb1 n VAL 150 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fb1 n GLY 151 N 2.08 1.13 3.62 2.92 0.00 -1.26 -5.02 105.19 108.67 3fb1 n GLY 151 Ca 0.11 -2.24 -0.48 0.00 0.00 0.00 0.00 46.02 43.41 3fb1 n GLY 151 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fb1 n PRO 152 N -0.66 1.59 -2.28 1.61 -0.02 -1.26 -4.88 135.00 129.09 3fb1 n PRO 152 Ca 0.00 0.57 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 3fb1 n PRO 152 Cb 0.00 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.25 3fb1 n PRO 152 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3fb1 s ASN 153 N 0.37 6.96 -0.94 2.55 2.47 -1.26 -4.95 114.94 120.14 3fb1 s ASN 153 Ca 0.75 2.29 -0.21 0.00 0.42 0.00 0.00 52.86 56.11 3fb1 s ASN 153 Cb -0.79 -2.60 0.09 0.00 -1.45 0.00 0.00 41.25 36.50 3fb1 s ASN 153 CO 0.47 -0.50 1.26 -1.10 -3.72 0.00 0.00 177.10 173.51 3fb1 s GLN 154 N 0.23 3.55 0.45 0.43 -1.52 -1.26 -4.85 119.66 116.69 3fb1 s GLN 154 Ca 0.57 -1.37 0.15 0.00 -1.95 0.00 0.00 55.36 52.77 3fb1 s GLN 154 Cb -0.35 -5.03 1.09 0.00 -0.22 0.00 0.00 33.01 28.51 3fb1 s GLN 154 CO 0.35 -1.97 2.00 0.93 -0.25 0.00 0.00 175.29 176.35 3fb1 h GLU 155 N 9.34 0.32 -0.61 2.91 4.39 -1.93 0.38 114.58 129.37 3fb1 h GLU 155 Ca 0.13 -0.02 0.13 0.00 0.34 0.00 0.00 59.36 59.94 3fb1 h GLU 155 Cb 1.02 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.57 3fb1 h GLU 155 CO 1.25 0.21 0.42 0.00 -1.16 0.00 0.00 179.01 179.73 3fb1 h ALA 156 N 1.73 2.20 0.00 3.43 0.00 -2.00 -2.94 119.26 121.68 3fb1 h ALA 156 Ca 0.24 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.90 3fb1 h ALA 156 Cb 0.53 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3fb1 h ALA 156 CO -0.06 -0.36 -2.25 1.19 0.00 0.00 0.00 179.25 177.77 3fb1 n PHE 157 N -4.45 0.01 -4.02 0.00 3.72 0.08 -5.07 117.46 107.74 3fb1 n PHE 157 Ca 0.11 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.54 3fb1 n PHE 157 Cb 0.49 -0.84 0.01 0.00 -0.94 0.00 0.00 39.48 38.20 3fb1 n PHE 157 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fb1 n GLY 158 N 1.59 0.20 3.91 1.37 0.00 -0.95 -3.52 105.19 107.78 3fb1 n GLY 158 Ca -0.23 -0.96 -0.27 0.00 0.00 0.00 0.00 46.02 44.55 3fb1 n GLY 158 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3fb1 s THR 159 N -2.01 4.03 0.18 2.61 -1.32 -1.26 -4.02 115.64 113.84 3fb1 s THR 159 Ca 0.24 0.15 -0.11 0.00 -1.21 0.00 0.00 61.69 60.75 3fb1 s THR 159 Cb -0.00 -3.59 0.10 0.00 -1.51 0.00 0.00 72.50 67.50 3fb1 s THR 159 CO -0.02 -0.62 1.75 -0.09 -2.21 0.00 0.00 174.62 173.43 3fb1 h ARG 160 N -0.12 0.96 -3.16 7.08 9.65 -1.97 -3.35 114.38 123.47 3fb1 h ARG 160 Ca -0.46 -0.17 -0.64 0.00 -1.10 0.00 0.00 59.98 57.61 3fb1 h ARG 160 Cb 1.24 -0.16 -0.40 0.00 -1.39 0.00 0.00 29.97 29.26 3fb1 h ARG 160 CO 0.61 0.80 -0.44 -0.06 2.80 0.00 0.00 179.97 183.68 3fb1 s PHE 161 N -5.58 3.65 0.32 2.20 0.08 -1.26 -5.02 117.98 112.38 3fb1 s PHE 161 Ca -0.13 -3.25 -0.29 0.00 0.12 0.00 0.00 56.93 53.38 3fb1 s PHE 161 Cb 0.14 -2.86 -0.11 0.00 -0.57 0.00 0.00 43.02 39.61 3fb1 s PHE 161 CO 0.80 -0.61 1.50 -2.14 -0.10 0.00 0.00 175.22 174.68 3fb1 s PRO 162 N -1.38 4.16 0.34 0.24 0.02 -1.26 -4.98 135.00 132.14 3fb1 s PRO 162 Ca 0.25 2.51 -0.20 0.00 0.02 0.00 0.00 61.00 63.57 3fb1 s PRO 162 Cb -0.06 -3.02 -0.10 0.00 0.02 0.00 0.00 34.50 31.34 3fb1 s PRO 162 CO -0.15 -0.52 0.85 0.00 -0.33 0.00 0.00 177.00 176.85 3fb1 s ALA 163 N -0.56 3.22 -0.15 -1.55 0.00 -1.26 -4.95 121.76 116.51 3fb1 s ALA 163 Ca 0.57 0.29 0.18 0.00 0.00 0.00 0.00 51.96 53.00 3fb1 s ALA 163 Cb -0.46 -3.00 0.37 0.00 0.00 0.00 0.00 23.12 20.04 3fb1 s ALA 163 CO 0.54 0.23 1.24 1.28 0.00 0.00 0.00 175.76 179.05 3fb1 n LEU 164 N -0.03 2.83 -0.10 0.00 4.77 -1.26 -4.85 117.00 118.36 3fb1 n LEU 164 Ca 0.03 -3.15 -0.03 0.00 -0.03 0.00 0.00 56.01 52.83 3fb1 n LEU 164 Cb 0.52 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 3fb1 n LEU 164 CO 0.41 0.76 0.50 -1.28 -1.33 0.00 0.00 177.39 176.45 3fb1 h SER 165 N 0.56 -0.60 -1.56 -1.43 0.87 -2.03 -2.70 113.55 106.67 3fb1 h SER 165 Ca 0.01 0.09 -0.66 0.00 -1.23 0.00 0.00 61.79 60.00 3fb1 h SER 165 Cb 1.14 0.26 -0.36 0.00 -0.44 0.00 0.00 62.40 63.00 3fb1 h SER 165 CO 0.07 -0.07 0.04 -3.20 -0.53 0.00 0.00 176.83 173.13 3fb1 n ASN 166 N -3.60 6.00 -0.32 6.23 5.15 -1.26 -4.82 115.26 122.64 3fb1 n ASN 166 Ca 0.00 -3.77 0.00 0.00 -0.60 0.00 0.00 54.58 50.22 3fb1 n ASN 166 Cb 0.08 -0.71 0.14 0.00 -0.53 0.00 0.00 39.78 38.76 3fb1 n ASN 166 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fb1 h ALA 167 N 2.63 1.21 -2.82 5.20 0.00 -1.82 -3.17 119.26 120.49 3fb1 h ALA 167 Ca 0.43 -0.02 -0.79 0.00 0.00 0.00 0.00 54.91 54.53 3fb1 h ALA 167 Cb 0.66 -0.26 -0.26 0.00 0.00 0.00 0.00 17.79 17.92 3fb1 h ALA 167 CO 1.11 0.34 0.12 0.71 0.00 0.00 0.00 179.25 181.54 3fb1 s TYR 168 N -6.07 3.80 -0.41 0.00 1.51 -1.26 -3.91 117.35 111.02 3fb1 s TYR 168 Ca -0.13 -2.07 -0.43 0.00 -1.01 0.00 0.00 57.07 53.44 3fb1 s TYR 168 Cb 0.18 -3.81 -0.18 0.00 -0.11 0.00 0.00 41.96 38.05 3fb1 s TYR 168 CO 0.80 -0.98 1.77 -3.47 -1.11 0.00 0.00 175.55 172.55 3fb1 n ASP 169 N 3.85 1.65 0.24 2.29 2.03 -0.89 -4.78 116.55 120.94 3fb1 n ASP 169 Ca 0.15 1.02 0.07 0.00 0.52 0.00 0.00 54.79 56.54 3fb1 n ASP 169 Cb 0.46 -1.01 0.57 0.00 -0.72 0.00 0.00 41.12 40.42 3fb1 n ASP 169 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 3fb1 h ARG 170 N 6.92 0.01 -0.11 -0.67 0.11 -1.91 -0.60 114.38 118.13 3fb1 h ARG 170 Ca -0.39 -0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.53 3fb1 h ARG 170 Cb 1.35 -0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.44 3fb1 h ARG 170 CO 0.99 0.10 -0.56 -0.44 0.10 0.00 0.00 179.97 180.16 3fb1 h ASP 171 N 0.01 0.69 -0.81 0.08 3.32 -1.99 0.39 116.42 118.12 3fb1 h ASP 171 Ca 0.00 -0.64 0.04 0.00 0.02 0.00 0.00 57.03 56.45 3fb1 h ASP 171 Cb 0.16 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.45 3fb1 h ASP 171 CO 0.01 1.22 0.51 -0.07 -1.72 0.00 0.00 179.24 179.19 3fb1 h LEU 172 N 0.21 0.83 -0.39 1.55 3.38 -1.76 0.17 115.31 119.30 3fb1 h LEU 172 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3fb1 h LEU 172 Cb 1.20 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 3fb1 h LEU 172 CO 0.12 0.56 0.08 0.03 0.09 0.00 0.00 178.44 179.32 3fb1 h ARG 173 N 0.97 0.64 -0.70 1.13 3.08 -1.01 0.13 114.38 118.63 3fb1 h ARG 173 Ca 0.33 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 60.25 3fb1 h ARG 173 Cb 0.06 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 3fb1 h ARG 173 CO -0.13 0.68 0.43 -0.22 -1.07 0.00 0.00 179.97 179.66 3fb1 h LYS 174 N 0.50 0.82 0.14 0.04 3.64 -0.44 -0.91 116.57 120.36 3fb1 h LYS 174 Ca 0.12 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3fb1 h LYS 174 Cb 0.34 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3fb1 h LYS 174 CO 0.00 0.55 -0.07 1.25 -2.27 0.00 0.00 179.45 178.91 3fb1 h LEU 175 N 0.85 -0.15 -0.71 5.20 5.85 -0.26 -1.34 115.31 124.74 3fb1 h LEU 175 Ca 0.28 -0.12 0.14 0.00 0.84 0.00 0.00 57.88 59.02 3fb1 h LEU 175 Cb 0.02 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 40.99 3fb1 h LEU 175 CO -0.11 0.03 0.20 0.00 -0.34 0.00 0.00 178.44 178.22 3fb1 h ALA 176 N 0.51 0.93 -0.32 1.25 0.00 -0.50 0.29 119.26 121.42 3fb1 h ALA 176 Ca -0.02 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3fb1 h ALA 176 Cb 0.26 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3fb1 h ALA 176 CO 0.03 -0.30 -0.12 0.28 0.00 0.00 0.00 179.25 179.15 3fb1 h VAL 177 N 0.32 1.29 -0.72 0.00 2.07 -1.04 -1.05 116.25 117.12 3fb1 h VAL 177 Ca 0.39 -1.20 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 3fb1 h VAL 177 Cb 0.63 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 3fb1 h VAL 177 CO -0.46 0.39 0.19 -0.61 0.02 0.00 0.00 177.57 177.10 3fb1 h GLN 178 N 0.42 1.15 -0.34 1.57 -0.00 -0.35 0.35 115.11 117.92 3fb1 h GLN 178 Ca 0.08 -0.27 -0.09 0.00 -0.00 0.00 0.00 58.65 58.36 3fb1 h GLN 178 Cb 0.63 -0.15 -0.02 0.00 0.00 0.00 0.00 27.48 27.94 3fb1 h GLN 178 CO 0.04 1.00 -0.18 0.28 0.00 0.00 0.00 178.83 179.98 3fb1 h VAL 179 N 1.09 1.26 -0.33 2.39 2.07 -0.25 0.12 116.25 122.59 3fb1 h VAL 179 Ca 0.23 -1.19 -0.08 0.00 0.82 0.00 0.00 66.70 66.48 3fb1 h VAL 179 Cb 0.36 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3fb1 h VAL 179 CO 0.00 0.39 -0.09 0.00 0.02 0.00 0.00 177.57 177.89 3fb1 h ALA 180 N 1.25 0.46 0.34 1.67 0.00 -0.55 -2.69 119.26 119.75 3fb1 h ALA 180 Ca 0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3fb1 h ALA 180 Cb 0.62 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3fb1 h ALA 180 CO 0.04 0.31 -0.16 0.93 0.00 0.00 0.00 179.25 180.37 3fb1 h GLU 181 N 0.43 -0.44 -0.16 0.00 4.39 0.28 -1.94 114.58 117.15 3fb1 h GLU 181 Ca 0.08 0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.86 3fb1 h GLU 181 Cb 0.59 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 3fb1 h GLU 181 CO 0.04 -0.28 0.12 0.93 -1.16 0.00 0.00 179.01 178.65 3fb1 h GLU 182 N -0.49 0.00 -0.61 2.33 5.08 -0.84 -2.49 114.58 117.56 3fb1 h GLU 182 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3fb1 h GLU 182 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3fb1 h GLU 182 CO 0.08 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.18 3fb1 n ASN 183 N -4.36 4.00 0.00 1.42 4.13 -1.00 -4.96 115.26 114.49 3fb1 n ASN 183 Ca 0.01 -2.17 0.00 0.00 1.68 0.00 0.00 54.58 54.09 3fb1 n ASN 183 Cb 0.25 -0.47 0.00 0.00 -1.54 0.00 0.00 39.78 38.02 3fb1 n ASN 183 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3fb1 n GLY 184 N 1.18 0.76 1.24 7.41 0.00 -0.94 -4.93 105.19 109.91 3fb1 n GLY 184 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3fb1 n GLY 184 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3fb1 n PHE 185 N -2.38 0.53 0.13 1.61 -1.74 -0.77 -4.75 117.46 110.08 3fb1 n PHE 185 Ca 0.00 -1.40 0.06 0.00 -0.56 0.00 0.00 57.45 55.55 3fb1 n PHE 185 Cb 0.00 -0.24 0.52 0.00 1.52 0.00 0.00 39.48 41.29 3fb1 n PHE 185 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 3fb1 h GLY 186 N 1.31 0.30 2.00 4.97 0.00 -1.74 -1.82 103.07 108.09 3fb1 h GLY 186 Ca -0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 3fb1 h GLY 186 CO 0.16 0.11 -0.00 3.45 0.00 0.00 0.00 176.54 180.25 3fb1 h ASN 187 N 0.28 0.00 0.73 0.19 -1.07 -1.90 -1.05 115.58 112.76 3fb1 h ASN 187 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.45 3fb1 h ASN 187 Cb -0.02 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.23 3fb1 h ASN 187 CO -0.02 0.00 -0.55 0.18 0.07 0.00 0.00 177.43 177.12 3fb1 n LEU 188 N -3.11 0.58 -4.60 6.14 4.77 -0.69 -4.87 117.00 115.23 3fb1 n LEU 188 Ca -0.02 0.16 -0.37 0.00 -0.03 0.00 0.00 56.01 55.75 3fb1 n LEU 188 Cb 0.17 -0.22 -0.11 0.00 -2.33 0.00 0.00 43.42 40.92 3fb1 n LEU 188 CO 0.23 0.02 -0.19 -0.69 -1.33 0.00 0.00 177.39 175.43 3fb1 s VAL 189 N -3.10 5.19 0.38 4.08 1.01 -0.40 -0.25 120.40 127.31 3fb1 s VAL 189 Ca 0.08 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.26 3fb1 s VAL 189 Cb 0.15 -3.44 -0.07 0.00 0.00 0.00 0.00 36.38 33.02 3fb1 s VAL 189 CO 0.70 0.30 -0.01 -1.00 0.00 0.00 0.00 175.10 175.09 3fb1 s HIS 190 N 1.45 2.42 0.15 5.22 3.76 0.89 -4.99 115.29 124.19 3fb1 s HIS 190 Ca 0.07 -0.65 0.10 0.00 -0.15 0.00 0.00 55.06 54.43 3fb1 s HIS 190 Cb -0.15 -1.61 -0.04 0.00 1.11 0.00 0.00 32.58 31.89 3fb1 s HIS 190 CO 0.08 0.44 -0.22 -0.65 -0.85 0.00 0.00 174.74 173.53 3fb1 s GLN 191 N -3.70 1.58 0.02 1.40 -0.21 -1.26 0.04 119.66 117.53 3fb1 s GLN 191 Ca 0.34 -1.36 -0.21 0.00 0.02 0.00 0.00 55.36 54.15 3fb1 s GLN 191 Cb 0.08 -1.95 0.07 0.00 1.00 0.00 0.00 33.01 32.20 3fb1 s GLN 191 CO 0.17 0.44 0.96 0.41 -2.12 0.00 0.00 175.29 175.15 3fb1 n GLY 192 N 0.60 0.40 3.68 3.09 0.00 0.05 -4.86 105.19 108.15 3fb1 n GLY 192 Ca -0.15 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 3fb1 n GLY 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fb1 s VAL 193 N -2.07 5.31 -0.19 1.61 1.01 -1.26 -1.44 120.40 123.37 3fb1 s VAL 193 Ca 0.22 0.39 -0.11 0.00 0.00 0.00 0.00 61.98 62.48 3fb1 s VAL 193 Cb -0.01 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 3fb1 s VAL 193 CO 0.00 0.34 0.19 -0.47 0.00 0.00 0.00 175.10 175.16 3fb1 s TYR 194 N 0.94 3.42 -0.08 5.22 6.14 -0.85 0.04 117.35 132.19 3fb1 s TYR 194 Ca 0.12 0.41 0.01 0.00 0.64 0.00 0.00 57.07 58.25 3fb1 s TYR 194 Cb -0.13 -2.23 -0.03 0.00 0.42 0.00 0.00 41.96 39.98 3fb1 s TYR 194 CO 0.04 0.25 -0.09 0.54 0.64 0.00 0.00 175.55 176.93 3fb1 s VAL 195 N 0.48 3.54 -0.29 3.14 0.11 -0.23 -0.33 120.40 126.82 3fb1 s VAL 195 Ca 0.11 -0.53 -0.19 0.00 -2.93 0.00 0.00 61.98 58.44 3fb1 s VAL 195 Cb -0.12 -2.45 -0.02 0.00 -1.53 0.00 0.00 36.38 32.26 3fb1 s VAL 195 CO 0.01 0.58 0.57 -0.32 -3.33 0.00 0.00 175.10 172.60 3fb1 s MET 196 N -0.57 3.97 -0.29 1.54 1.75 -0.44 -2.06 119.30 123.19 3fb1 s MET 196 Ca 0.08 0.29 -0.19 0.00 -1.25 0.00 0.00 55.69 54.62 3fb1 s MET 196 Cb -0.12 -3.70 -0.02 0.00 2.84 0.00 0.00 34.83 33.84 3fb1 s MET 196 CO 0.02 -0.47 0.57 1.21 -0.65 0.00 0.00 175.02 175.70 3fb1 s ASN 197 N 1.59 6.46 0.33 1.11 2.47 0.89 -3.83 114.94 123.96 3fb1 s ASN 197 Ca 0.23 0.43 0.11 0.00 0.42 0.00 0.00 52.86 54.05 3fb1 s ASN 197 Cb -0.15 -2.30 0.91 0.00 -1.45 0.00 0.00 41.25 38.26 3fb1 s ASN 197 CO 0.10 -0.40 1.74 1.23 -3.72 0.00 0.00 177.10 176.05 3fb1 h GLY 198 N 8.99 1.80 0.00 1.21 0.00 -1.91 -3.33 103.07 109.83 3fb1 h GLY 198 Ca -0.28 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.76 3fb1 h GLY 198 CO 0.76 -0.22 0.00 0.61 0.00 0.00 0.00 176.54 177.69 3fb1 n GLY 199 N -1.34 -1.83 0.41 4.60 0.00 -1.26 -3.99 105.19 101.78 3fb1 n GLY 199 Ca 0.27 -1.36 0.14 0.00 0.00 0.00 0.00 46.02 45.07 3fb1 n GLY 199 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3fb1 n PRO 200 N -0.19 1.39 -1.87 1.61 -0.05 -1.26 -4.81 135.00 129.82 3fb1 n PRO 200 Ca 0.00 -0.82 -0.41 0.00 -0.05 0.00 0.00 63.50 62.22 3fb1 n PRO 200 Cb 0.00 -1.48 -0.01 0.00 -0.05 0.00 0.00 33.50 31.95 3fb1 n PRO 200 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3fb1 n TYR 202 N 1.66 -0.02 -2.69 0.00 4.02 -1.26 -4.95 117.16 113.92 3fb1 n TYR 202 Ca 0.05 0.32 -0.41 0.00 -0.01 0.00 0.00 57.90 57.86 3fb1 n TYR 202 Cb 0.39 -1.91 -0.04 0.00 -0.02 0.00 0.00 39.34 37.75 3fb1 n TYR 202 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3fb1 s GLU 203 N -4.27 4.69 0.97 -0.72 8.01 -1.26 -5.03 118.70 121.08 3fb1 s GLU 203 Ca 0.63 1.50 -0.12 0.00 0.01 0.00 0.00 54.97 57.00 3fb1 s GLU 203 Cb -0.22 -3.35 0.17 0.00 -4.31 0.00 0.00 34.13 26.42 3fb1 s GLU 203 CO 0.62 0.20 1.09 0.95 0.01 0.00 0.00 175.26 178.12 3fb1 s THR 204 N -0.10 2.38 0.26 3.63 -4.23 -1.26 -4.74 115.64 111.58 3fb1 s THR 204 Ca 0.47 0.12 -0.05 0.00 -1.18 0.00 0.00 61.69 61.05 3fb1 s THR 204 Cb -0.25 -2.43 0.23 0.00 1.34 0.00 0.00 72.50 71.40 3fb1 s THR 204 CO 0.31 -0.16 1.90 -0.65 -0.54 0.00 0.00 174.62 175.48 3fb1 h PRO 205 N -1.88 1.22 -0.77 3.99 0.11 -1.86 0.35 132.00 133.15 3fb1 h PRO 205 Ca -0.52 -0.11 -0.04 0.00 0.11 0.00 0.00 66.00 65.44 3fb1 h PRO 205 Cb 1.30 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3fb1 h PRO 205 CO 0.52 0.86 0.31 0.00 -0.21 0.00 0.00 178.00 179.47 3fb1 h ALA 206 N 1.35 1.08 -0.29 -0.75 0.00 -1.86 0.95 119.26 119.74 3fb1 h ALA 206 Ca 0.32 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3fb1 h ALA 206 Cb -0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3fb1 h ALA 206 CO -0.06 0.65 0.01 0.93 0.00 0.00 0.00 179.25 180.78 3fb1 h GLU 207 N 1.13 0.50 -0.90 0.00 5.08 -1.74 0.23 114.58 118.87 3fb1 h GLU 207 Ca 0.26 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3fb1 h GLU 207 Cb 0.21 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3fb1 h GLU 207 CO -0.02 0.64 0.51 0.00 -1.00 0.00 0.00 179.01 179.13 3fb1 h THR 209 N 1.25 1.22 -0.27 0.00 2.02 -0.48 0.13 112.91 116.79 3fb1 h THR 209 Ca 0.32 -0.74 0.01 0.00 0.77 0.00 0.00 66.41 66.77 3fb1 h THR 209 Cb 0.01 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 3fb1 h THR 209 CO -0.05 0.24 0.15 -0.03 0.37 0.00 0.00 175.52 176.20 3fb1 h MET 210 N 0.23 0.31 -0.35 6.66 -1.53 -0.47 -0.15 114.93 119.63 3fb1 h MET 210 Ca 0.08 -0.02 -0.00 0.00 -3.44 0.00 0.00 59.70 56.32 3fb1 h MET 210 Cb 0.31 -0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.27 3fb1 h MET 210 CO 0.00 0.21 0.21 -0.07 0.14 0.00 0.00 176.91 177.40 3fb1 h LEU 211 N 0.32 0.41 -0.31 3.39 3.38 -0.12 -0.44 115.31 121.95 3fb1 h LEU 211 Ca 0.11 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3fb1 h LEU 211 Cb 0.00 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3fb1 h LEU 211 CO -0.05 0.34 0.12 0.25 0.09 0.00 0.00 178.44 179.19 3fb1 h LEU 212 N 0.45 0.15 -2.17 1.67 5.85 -0.56 -1.12 115.31 119.58 3fb1 h LEU 212 Ca 0.12 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3fb1 h LEU 212 Cb 0.00 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 3fb1 h LEU 212 CO -0.02 0.12 -0.05 0.78 -0.34 0.00 0.00 178.44 178.93 3fb1 h ASN 213 N 0.27 0.00 0.46 1.25 2.35 -0.68 0.41 115.58 119.64 3fb1 h ASN 213 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3fb1 h ASN 213 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3fb1 h ASN 213 CO -0.13 0.05 0.00 0.23 -1.65 0.00 0.00 177.43 175.93 3fb1 n MET 214 N -3.35 0.41 -0.80 0.81 2.81 -0.20 -4.88 117.12 111.92 3fb1 n MET 214 Ca -0.02 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 3fb1 n MET 214 Cb 0.19 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 3fb1 n MET 214 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fb1 n GLY 215 N 0.94 0.76 3.80 3.03 0.00 0.13 -5.07 105.19 108.78 3fb1 n GLY 215 Ca 0.13 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 3fb1 n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fb1 n ASP 217 N 1.25 1.97 -4.06 0.00 8.00 0.11 -4.19 116.55 119.62 3fb1 n ASP 217 Ca -0.05 -0.08 -0.10 0.00 0.71 0.00 0.00 54.79 55.26 3fb1 n ASP 217 Cb 0.50 -0.01 -0.11 0.00 -0.02 0.00 0.00 41.12 41.49 3fb1 n ASP 217 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3fb1 s VAL 218 N -2.42 0.38 -0.01 2.53 -7.23 -0.81 0.11 120.40 112.95 3fb1 s VAL 218 Ca -0.23 -1.33 0.02 0.00 -1.81 0.00 0.00 61.98 58.63 3fb1 s VAL 218 Cb 0.07 -0.89 -0.00 0.00 0.56 0.00 0.00 36.38 36.12 3fb1 s VAL 218 CO 0.54 -0.63 -0.08 0.54 -0.31 0.00 0.00 175.10 175.16 3fb1 s VAL 219 N -2.32 0.65 0.03 1.32 0.11 -0.25 -1.07 120.40 118.87 3fb1 s VAL 219 Ca -0.04 -0.32 -0.01 0.00 -2.93 0.00 0.00 61.98 58.68 3fb1 s VAL 219 Cb -0.04 -0.57 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 3fb1 s VAL 219 CO -0.03 0.20 0.05 0.61 -3.33 0.00 0.00 175.10 172.59 3fb1 n GLY 220 N 3.08 2.21 0.28 6.54 0.00 -0.88 -0.15 105.19 116.27 3fb1 n GLY 220 Ca -0.15 -1.12 0.08 0.00 0.00 0.00 0.00 46.02 44.82 3fb1 n GLY 220 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3fb1 n MET 221 N -0.04 1.10 -1.20 1.61 2.81 -1.25 -0.08 117.12 120.07 3fb1 n MET 221 Ca -0.00 -2.45 0.00 0.00 -1.81 0.00 0.00 57.70 53.43 3fb1 n MET 221 Cb 0.04 -1.32 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 3fb1 n MET 221 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3fb1 n SER 222 N -1.10 0.00 0.00 7.83 3.41 -1.26 -4.47 113.62 118.03 3fb1 n SER 222 Ca 0.14 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 58.07 3fb1 n SER 222 Cb 0.68 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 3fb1 n SER 222 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3fb1 n THR 223 N 0.00 0.00 -0.26 6.66 -1.04 -1.26 -4.53 114.28 113.86 3fb1 n THR 223 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3fb1 n THR 223 Cb 0.00 0.00 0.13 0.00 -1.82 0.00 0.00 70.33 68.64 3fb1 n THR 223 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3fb1 h ILE 224 N 0.00 0.93 -0.55 12.58 2.04 -1.97 0.22 117.51 130.76 3fb1 h ILE 224 Ca 0.00 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 3fb1 h ILE 224 Cb 0.00 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.21 3fb1 h ILE 224 CO 0.00 0.13 0.23 -0.65 0.00 0.00 0.00 178.15 177.86 3fb1 h PRO 225 N 0.71 0.81 -0.86 2.37 0.11 -1.98 0.23 132.00 133.39 3fb1 h PRO 225 Ca 0.34 -0.14 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 3fb1 h PRO 225 Cb 0.27 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.21 3fb1 h PRO 225 CO -0.22 0.70 0.53 0.93 -0.21 0.00 0.00 178.00 179.73 3fb1 h GLU 226 N 0.74 1.17 -0.62 1.05 5.08 -1.72 -1.25 114.58 119.03 3fb1 h GLU 226 Ca 0.18 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3fb1 h GLU 226 Cb 0.19 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3fb1 h GLU 226 CO -0.02 0.81 0.20 0.28 -1.00 0.00 0.00 179.01 179.29 3fb1 h VAL 227 N 1.18 1.24 -0.02 3.13 2.07 0.02 0.12 116.25 124.01 3fb1 h VAL 227 Ca 0.31 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3fb1 h VAL 227 Cb -0.06 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3fb1 h VAL 227 CO -0.06 0.31 0.01 0.58 0.02 0.00 0.00 177.57 178.44 3fb1 h VAL 228 N 0.88 1.02 -0.58 2.57 2.07 0.03 0.31 116.25 122.55 3fb1 h VAL 228 Ca 0.20 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.72 3fb1 h VAL 228 Cb 0.28 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3fb1 h VAL 228 CO -0.01 0.01 0.33 0.40 0.02 0.00 0.00 177.57 178.32 3fb1 h ILE 229 N 0.01 1.00 -0.04 4.57 1.08 -1.00 0.15 117.51 123.27 3fb1 h ILE 229 Ca 0.01 -0.21 0.03 0.00 -0.39 0.00 0.00 64.86 64.30 3fb1 h ILE 229 Cb 0.01 0.32 -0.04 0.00 -3.07 0.00 0.00 36.82 34.04 3fb1 h ILE 229 CO -0.00 0.11 -0.20 0.00 -0.69 0.00 0.00 178.15 177.37 3fb1 h ALA 230 N 1.29 -0.22 -0.30 1.87 0.00 -0.13 -1.82 119.26 119.96 3fb1 h ALA 230 Ca 0.25 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 3fb1 h ALA 230 Cb 0.11 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3fb1 h ALA 230 CO -0.14 -0.68 -0.20 0.00 0.00 0.00 0.00 179.25 178.22 3fb1 h ARG 231 N -0.30 0.56 -0.82 0.00 2.47 0.04 0.37 114.38 116.70 3fb1 h ARG 231 Ca 0.07 -0.20 0.05 0.00 -1.26 0.00 0.00 59.98 58.64 3fb1 h ARG 231 Cb 0.39 -0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 28.62 3fb1 h ARG 231 CO -0.21 0.73 0.51 1.25 0.56 0.00 0.00 179.97 182.81 3fb1 h HIS 232 N 0.50 0.95 -0.62 3.04 2.76 -0.36 -1.85 115.15 119.57 3fb1 h HIS 232 Ca 0.08 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 3fb1 h HIS 232 Cb 0.63 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.28 3fb1 h HIS 232 CO 0.02 0.50 0.00 0.00 -1.30 0.00 0.00 177.93 177.16 3fb1 n GLY 234 N 0.96 0.24 3.72 0.00 0.00 -0.69 -4.99 105.19 104.43 3fb1 n GLY 234 Ca 0.26 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 3fb1 n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fb1 s ILE 235 N -2.33 5.18 0.48 -0.61 1.01 0.05 -5.00 121.20 119.97 3fb1 s ILE 235 Ca 0.00 0.98 -0.22 0.00 0.00 0.00 0.00 60.65 61.41 3fb1 s ILE 235 Cb 0.00 -3.83 -0.07 0.00 0.01 0.00 0.00 42.46 38.57 3fb1 s ILE 235 CO 0.00 0.32 1.16 -1.10 0.00 0.00 0.00 174.94 175.32 3fb1 s GLN 236 N 0.66 3.66 -0.03 2.79 -0.21 -0.58 -4.03 119.66 121.92 3fb1 s GLN 236 Ca 0.27 1.75 0.06 0.00 0.02 0.00 0.00 55.36 57.46 3fb1 s GLN 236 Cb -0.15 -2.32 -0.01 0.00 1.00 0.00 0.00 33.01 31.52 3fb1 s GLN 236 CO 0.11 -0.63 -0.22 0.08 -2.12 0.00 0.00 175.29 172.50 3fb1 s VAL 237 N -1.59 1.79 -0.07 1.09 1.01 -1.25 0.30 120.40 121.69 3fb1 s VAL 237 Ca 0.66 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.70 3fb1 s VAL 237 Cb -0.28 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.62 3fb1 s VAL 237 CO 0.33 0.51 -0.12 0.12 0.00 0.00 0.00 175.10 175.94 3fb1 s PHE 238 N -0.38 1.46 -0.00 5.22 2.19 0.47 -2.10 117.98 124.82 3fb1 s PHE 238 Ca 0.05 -0.56 0.00 0.00 0.33 0.00 0.00 56.93 56.75 3fb1 s PHE 238 Cb -0.10 -1.08 0.00 0.00 -1.31 0.00 0.00 43.02 40.53 3fb1 s PHE 238 CO 0.00 -0.30 0.00 0.00 1.83 0.00 0.00 175.22 176.75 3fb1 s ALA 239 N 0.77 0.04 -0.02 11.12 0.00 -1.26 -0.02 121.76 132.40 3fb1 s ALA 239 Ca -0.13 0.04 0.03 0.00 0.00 0.00 0.00 51.96 51.90 3fb1 s ALA 239 Cb -0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 23.12 22.91 3fb1 s ALA 239 CO 0.02 -0.01 -0.10 0.08 0.00 0.00 0.00 175.76 175.75 3fb1 s VAL 240 N 0.18 0.85 -0.15 0.00 1.01 0.02 -0.34 120.40 121.96 3fb1 s VAL 240 Ca -0.01 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 3fb1 s VAL 240 Cb -0.02 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 3fb1 s VAL 240 CO -0.00 0.25 0.23 -0.44 0.00 0.00 0.00 175.10 175.14 3fb1 s SER 241 N 0.01 6.39 -0.16 3.32 0.01 0.18 -1.36 113.70 122.10 3fb1 s SER 241 Ca -0.00 0.45 -0.23 0.00 1.31 0.00 0.00 55.95 57.48 3fb1 s SER 241 Cb -0.07 -2.14 -0.02 0.00 0.21 0.00 0.00 66.02 63.99 3fb1 s SER 241 CO 0.00 0.18 0.72 -0.22 0.41 0.00 0.00 173.24 174.34 3fb1 s LEU 242 N 0.11 4.19 -0.59 2.44 2.96 0.62 0.31 118.68 128.72 3fb1 s LEU 242 Ca 0.14 1.04 -0.27 0.00 -0.22 0.00 0.00 54.13 54.82 3fb1 s LEU 242 Cb -0.12 -3.06 0.01 0.00 0.50 0.00 0.00 46.19 43.51 3fb1 s LEU 242 CO 0.03 -0.29 1.51 -0.69 -1.32 0.00 0.00 176.35 175.60 3fb1 s VAL 243 N 1.75 3.66 -2.13 1.68 1.01 -0.02 -0.38 120.40 125.97 3fb1 s VAL 243 Ca 0.34 0.51 0.21 0.00 0.00 0.00 0.00 61.98 63.04 3fb1 s VAL 243 Cb -0.16 -4.36 0.06 0.00 0.00 0.00 0.00 36.38 31.91 3fb1 s VAL 243 CO 0.13 -1.18 1.06 0.35 0.00 0.00 0.00 175.10 175.46 3fb1 n THR 244 N 6.89 0.00 -3.54 3.92 -2.24 0.30 0.05 114.28 119.66 3fb1 n THR 244 Ca 0.13 -0.36 -0.17 0.00 -2.27 0.00 0.00 64.05 61.38 3fb1 n THR 244 Cb 0.50 1.31 -0.06 0.00 -2.10 0.00 0.00 70.33 69.98 3fb1 n THR 244 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fb1 s ASN 245 N -2.09 -0.67 -0.32 3.42 2.20 -1.23 -4.13 114.94 112.12 3fb1 s ASN 245 Ca 0.20 0.83 -0.20 0.00 -0.94 0.00 0.00 52.86 52.75 3fb1 s ASN 245 Cb 0.17 0.69 -0.01 0.00 -2.00 0.00 0.00 41.25 40.10 3fb1 s ASN 245 CO 0.42 -0.54 0.62 -0.63 -2.94 0.00 0.00 177.10 174.03 3fb1 s ILE 246 N -0.91 4.93 0.23 0.54 -1.09 -1.26 0.63 121.20 124.27 3fb1 s ILE 246 Ca -0.09 0.74 -0.31 0.00 -2.23 0.00 0.00 60.65 58.76 3fb1 s ILE 246 Cb -0.01 -4.01 -0.14 0.00 -1.58 0.00 0.00 42.46 36.72 3fb1 s ILE 246 CO 0.08 -0.19 1.38 -1.20 -1.23 0.00 0.00 174.94 173.78 3fb1 n SER 247 N 5.91 2.58 -4.66 3.58 7.64 0.38 -4.83 113.62 124.21 3fb1 n SER 247 Ca -0.01 1.14 -0.41 0.00 1.01 0.00 0.00 58.87 60.60 3fb1 n SER 247 Cb 0.49 -1.40 -0.04 0.00 -1.01 0.00 0.00 64.21 62.24 3fb1 n SER 247 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3fb1 s VAL 248 N -0.08 4.90 -0.70 0.44 1.01 -1.26 -4.92 120.40 119.78 3fb1 s VAL 248 Ca 0.69 1.54 0.21 0.00 0.00 0.00 0.00 61.98 64.42 3fb1 s VAL 248 Cb -0.67 -4.10 -0.26 0.00 0.00 0.00 0.00 36.38 31.35 3fb1 s VAL 248 CO 0.50 0.02 0.78 0.18 0.00 0.00 0.00 175.10 176.57 3fb1 n LEU 249 N 5.38 0.69 -4.51 3.92 4.77 -1.26 -3.90 117.00 122.09 3fb1 n LEU 249 Ca 0.04 -0.34 -0.34 0.00 -0.03 0.00 0.00 56.01 55.34 3fb1 n LEU 249 Cb 0.49 -0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.46 3fb1 n LEU 249 CO 0.47 0.17 -0.34 -1.81 -1.33 0.00 0.00 177.39 174.55 3fb1 s ASP 250 N -3.47 4.89 0.49 -1.43 1.11 -1.26 -4.56 116.67 112.44 3fb1 s ASP 250 Ca 0.03 -0.10 0.28 0.00 0.18 0.00 0.00 52.55 52.94 3fb1 s ASP 250 Cb 0.15 -1.80 1.17 0.00 1.07 0.00 0.00 42.92 43.51 3fb1 s ASP 250 CO 0.88 0.17 1.92 -0.37 1.18 0.00 0.00 175.17 178.95 3fb1 h VAL 251 N 5.11 0.36 -1.70 -1.27 -1.51 -1.93 -3.30 116.25 112.00 3fb1 h VAL 251 Ca -0.32 -0.82 -0.77 0.00 -1.23 0.00 0.00 66.70 63.56 3fb1 h VAL 251 Cb 1.19 1.61 -0.18 0.00 -2.13 0.00 0.00 31.29 31.78 3fb1 h VAL 251 CO 0.64 0.13 1.80 -0.62 -1.23 0.00 0.00 177.57 178.28 3fb1 n GLU 252 N -3.32 4.46 -3.82 5.19 -0.58 -1.26 -4.90 120.64 116.41 3fb1 n GLU 252 Ca -0.00 -3.88 -0.12 0.00 -0.42 0.00 0.00 57.16 52.74 3fb1 n GLU 252 Cb 0.36 -2.67 -0.11 0.00 -0.57 0.00 0.00 31.44 28.45 3fb1 n GLU 252 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3fb1 s SER 253 N -0.16 -0.14 0.00 1.62 0.01 -1.25 -5.06 113.70 108.72 3fb1 s SER 253 Ca 0.43 0.18 -0.24 0.00 1.31 0.00 0.00 55.95 57.62 3fb1 s SER 253 Cb 0.14 0.35 -0.16 0.00 0.21 0.00 0.00 66.02 66.56 3fb1 s SER 253 CO -0.04 -0.23 1.16 0.44 0.41 0.00 0.00 173.24 174.98 3fb1 h ASP 254 N 5.01 -0.42 -1.22 2.44 3.32 -1.92 -3.46 116.42 120.18 3fb1 h ASP 254 Ca -0.28 -0.15 -0.82 0.00 0.02 0.00 0.00 57.03 55.81 3fb1 h ASP 254 Cb 1.19 0.11 0.02 0.00 0.22 0.00 0.00 39.33 40.87 3fb1 h ASP 254 CO 0.39 -0.03 0.70 -0.11 -1.72 0.00 0.00 179.24 178.47 3fb1 n LEU 255 N -5.16 1.54 -4.00 1.55 0.00 -1.26 -4.97 117.00 104.70 3fb1 n LEU 255 Ca -0.10 1.14 -0.26 0.00 0.00 0.00 0.00 56.01 56.80 3fb1 n LEU 255 Cb 0.28 -0.99 -0.17 0.00 0.00 0.00 0.00 43.42 42.54 3fb1 n LEU 255 CO 0.29 -0.79 -0.47 -1.59 0.00 0.00 0.00 177.39 174.83 3fb1 s LYS 256 N 2.84 1.79 0.44 1.96 -2.85 -1.26 -4.93 119.74 117.73 3fb1 s LYS 256 Ca 1.01 -0.41 -0.24 0.00 -1.00 0.00 0.00 55.97 55.32 3fb1 s LYS 256 Cb -1.31 -1.58 -0.09 0.00 -2.06 0.00 0.00 37.83 32.79 3fb1 s LYS 256 CO 0.73 -0.07 1.14 -2.30 0.10 0.00 0.00 175.35 174.95 3fb1 n PRO 257 N 4.21 1.60 -3.70 1.78 -0.02 -1.26 -5.01 135.00 132.59 3fb1 n PRO 257 Ca -0.19 0.57 -0.11 0.00 -2.02 0.00 0.00 63.50 61.75 3fb1 n PRO 257 Cb 0.51 -2.23 -0.10 0.00 -0.02 0.00 0.00 33.50 31.66 3fb1 n PRO 257 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3fb1 s ASN 258 N -0.69 -0.52 0.61 2.55 2.20 -1.26 -5.04 114.94 112.79 3fb1 s ASN 258 Ca 0.64 0.93 0.33 0.00 -0.94 0.00 0.00 52.86 53.81 3fb1 s ASN 258 Cb -0.52 0.87 1.94 0.00 -2.00 0.00 0.00 41.25 41.54 3fb1 s ASN 258 CO 0.56 -0.18 2.28 -0.74 -2.94 0.00 0.00 177.10 176.08 3fb1 h HIS 259 N 6.37 0.00 0.26 1.54 -0.00 -1.99 -1.85 115.15 119.47 3fb1 h HIS 259 Ca -0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.04 3fb1 h HIS 259 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.60 3fb1 h HIS 259 CO 0.30 0.00 -0.12 1.49 -0.00 0.00 0.00 177.93 179.60 3fb1 h GLU 260 N 0.00 -0.33 -0.25 5.26 4.57 -1.99 0.15 114.58 121.99 3fb1 h GLU 260 Ca 0.00 0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.15 3fb1 h GLU 260 Cb 0.01 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 3fb1 h GLU 260 CO -0.00 -0.22 -0.09 0.93 -1.18 0.00 0.00 179.01 178.45 3fb1 h GLU 261 N -0.35 0.40 -0.25 1.92 5.08 -1.72 0.23 114.58 119.89 3fb1 h GLU 261 Ca -0.03 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3fb1 h GLU 261 Cb 0.27 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 3fb1 h GLU 261 CO 0.06 0.50 0.02 0.28 -1.00 0.00 0.00 179.01 178.87 3fb1 h VAL 262 N 0.38 0.85 -0.42 3.13 2.07 -1.11 0.82 116.25 121.97 3fb1 h VAL 262 Ca 0.08 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 3fb1 h VAL 262 Cb 0.40 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3fb1 h VAL 262 CO 0.02 0.02 0.19 -0.07 0.02 0.00 0.00 177.57 177.75 3fb1 h LEU 263 N 0.10 0.57 -0.17 2.57 3.38 0.73 -0.23 115.31 122.26 3fb1 h LEU 263 Ca 0.12 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3fb1 h LEU 263 Cb 0.14 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3fb1 h LEU 263 CO -0.18 0.56 -0.12 0.00 0.09 0.00 0.00 178.44 178.79 3fb1 h ALA 264 N 1.03 0.01 -0.72 1.53 0.00 -0.31 0.69 119.26 121.50 3fb1 h ALA 264 Ca 0.14 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3fb1 h ALA 264 Cb 0.16 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3fb1 h ALA 264 CO -0.01 -0.55 0.45 1.15 0.00 0.00 0.00 179.25 180.28 3fb1 h THR 265 N -0.12 1.08 -0.34 0.00 2.02 -0.62 -0.28 112.91 114.66 3fb1 h THR 265 Ca 0.10 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3fb1 h THR 265 Cb 0.27 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 3fb1 h THR 265 CO -0.24 0.16 0.23 1.23 0.37 0.00 0.00 175.52 177.26 3fb1 h GLY 266 N 0.87 0.48 0.81 2.16 0.00 -0.07 -1.13 103.07 106.19 3fb1 h GLY 266 Ca 0.29 -0.18 0.06 0.00 0.00 0.00 0.00 47.33 47.51 3fb1 h GLY 266 CO -0.12 0.18 0.62 0.00 0.00 0.00 0.00 176.54 177.22 3fb1 h ALA 267 N 1.12 1.45 -0.03 3.60 0.00 0.11 0.21 119.26 125.73 3fb1 h ALA 267 Ca 0.12 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 3fb1 h ALA 267 Cb -0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3fb1 h ALA 267 CO -0.03 0.42 -0.70 1.96 0.00 0.00 0.00 179.25 180.90 3fb1 h GLN 268 N 1.12 0.14 -0.02 0.00 4.20 -0.64 -3.28 115.11 116.64 3fb1 h GLN 268 Ca 0.41 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 59.00 3fb1 h GLN 268 Cb 0.16 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.96 3fb1 h GLN 268 CO -0.15 0.79 -0.24 0.54 -0.67 0.00 0.00 178.83 179.10 3fb1 n ARG 269 N -3.76 1.60 -0.33 1.46 5.12 -0.47 -4.45 116.66 115.82 3fb1 n ARG 269 Ca -0.02 -1.20 0.01 0.00 -1.93 0.00 0.00 57.85 54.71 3fb1 n ARG 269 Cb 0.69 -1.36 0.14 0.00 -1.16 0.00 0.00 32.46 30.76 3fb1 n ARG 269 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3fb1 h ALA 270 N 3.48 1.23 -0.00 7.54 0.00 -0.66 -0.52 119.26 130.33 3fb1 h ALA 270 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3fb1 h ALA 270 Cb 0.71 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3fb1 h ALA 270 CO 0.00 0.36 0.00 1.49 0.00 0.00 0.00 179.25 181.11 3fb1 h GLU 271 N 1.07 0.00 -0.37 0.00 4.81 -1.79 -0.20 114.58 118.09 3fb1 h GLU 271 Ca 0.38 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.50 3fb1 h GLU 271 Cb 0.12 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3fb1 h GLU 271 CO -0.16 0.16 -0.23 1.25 -0.73 0.00 0.00 179.01 179.31 3fb1 h LEU 272 N -0.16 0.75 -0.49 1.64 5.85 -1.74 -1.32 115.31 119.85 3fb1 h LEU 272 Ca 0.00 -0.27 -0.13 0.00 0.84 0.00 0.00 57.88 58.32 3fb1 h LEU 272 Cb 0.16 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3fb1 h LEU 272 CO -0.00 0.95 -0.22 -0.03 -0.34 0.00 0.00 178.44 178.81 3fb1 h MET 273 N 0.64 1.01 0.03 1.25 4.05 -1.00 0.11 114.93 121.02 3fb1 h MET 273 Ca 0.09 -0.43 0.01 0.00 -0.28 0.00 0.00 59.70 59.09 3fb1 h MET 273 Cb 0.73 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.47 3fb1 h MET 273 CO 0.06 1.11 -0.11 0.37 0.23 0.00 0.00 176.91 178.57 3fb1 h GLN 274 N 0.87 -0.20 -0.52 0.39 4.15 -0.77 0.16 115.11 119.19 3fb1 h GLN 274 Ca 0.11 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.62 3fb1 h GLN 274 Cb 0.80 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.47 3fb1 h GLN 274 CO 0.07 -0.13 0.16 1.03 -1.93 0.00 0.00 178.83 178.02 3fb1 h SER 275 N -0.21 0.12 -0.34 -0.69 0.87 -0.97 0.19 113.55 112.53 3fb1 h SER 275 Ca 0.03 0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.70 3fb1 h SER 275 Cb 0.24 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.24 3fb1 h SER 275 CO -0.09 0.09 0.12 -0.25 -0.53 0.00 0.00 176.83 176.18 3fb1 h TRP 276 N 0.32 0.22 -0.32 2.24 7.01 -0.47 0.03 115.95 124.98 3fb1 h TRP 276 Ca 0.26 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.24 3fb1 h TRP 276 Cb 0.31 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.31 3fb1 h TRP 276 CO -0.19 0.10 0.06 0.74 -2.79 0.00 0.00 178.44 176.36 3fb1 h PHE 277 N 0.27 0.55 -0.97 2.65 -1.00 0.15 0.16 116.94 118.75 3fb1 h PHE 277 Ca 0.15 -0.07 0.03 0.00 2.81 0.00 0.00 57.97 60.89 3fb1 h PHE 277 Cb 0.12 -0.15 -0.06 0.00 3.61 0.00 0.00 35.95 39.47 3fb1 h PHE 277 CO -0.13 0.59 0.63 0.93 -1.61 0.00 0.00 178.31 178.72 3fb1 h GLU 278 N 0.35 1.20 -0.10 1.51 5.08 -0.50 0.21 114.58 122.33 3fb1 h GLU 278 Ca 0.10 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 58.19 3fb1 h GLU 278 Cb 0.33 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3fb1 h GLU 278 CO 0.00 0.79 -0.75 0.87 -1.00 0.00 0.00 179.01 178.93 3fb1 h LYS 279 N 1.24 0.54 0.03 2.33 1.57 -0.54 -0.80 116.57 120.94 3fb1 h LYS 279 Ca 0.38 -0.44 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3fb1 h LYS 279 Cb -0.02 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3fb1 h LYS 279 CO -0.12 1.07 -0.01 0.82 -0.57 0.00 0.00 179.45 180.64 3fb1 h ILE 280 N 0.37 1.00 -0.82 1.86 2.04 -0.48 -3.00 117.51 118.48 3fb1 h ILE 280 Ca -0.04 -0.09 0.08 0.00 1.00 0.00 0.00 64.86 65.81 3fb1 h ILE 280 Cb 1.35 1.07 -0.07 0.00 -0.74 0.00 0.00 36.82 38.43 3fb1 h ILE 280 CO 0.14 0.02 0.48 0.40 0.00 0.00 0.00 178.15 179.19 3fb1 h ILE 281 N -0.08 0.95 -0.92 -0.67 2.04 -0.73 0.69 117.51 118.80 3fb1 h ILE 281 Ca -0.00 -0.28 0.13 0.00 1.00 0.00 0.00 64.86 65.70 3fb1 h ILE 281 Cb 0.07 0.05 -0.07 0.00 -0.74 0.00 0.00 36.82 36.12 3fb1 h ILE 281 CO 0.01 0.15 0.59 -0.08 0.00 0.00 0.00 178.15 178.82 3fb1 h GLU 282 N 0.83 0.79 -0.63 2.37 4.81 -1.05 -2.39 114.58 119.31 3fb1 h GLU 282 Ca 0.38 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 3fb1 h GLU 282 Cb 0.30 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3fb1 h GLU 282 CO -0.22 0.52 0.00 1.63 -0.73 0.00 0.00 179.01 180.21 3fb1 n LYS 283 N -4.57 4.13 -2.36 1.92 5.02 0.20 -4.95 118.16 117.55 3fb1 n LYS 283 Ca 0.17 -2.83 -0.41 0.00 -2.02 0.00 0.00 58.31 53.22 3fb1 n LYS 283 Cb 0.40 -2.05 -0.04 0.00 -0.02 0.00 0.00 35.03 33.33 3fb1 n LYS 283 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fb1 s LEU 284 N -2.17 4.50 0.00 -0.35 1.43 -0.90 -5.03 118.68 116.15 3fb1 s LEU 284 Ca 0.50 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 55.96 3fb1 s LEU 284 Cb 0.35 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.94 3fb1 s LEU 284 CO 0.19 -0.29 0.00 -2.65 0.23 0.00 0.00 176.35 173.83 3fb1 n PRO 285 N 1.46 0.43 0.00 1.29 -0.02 -1.26 -4.44 135.00 132.46 3fb1 n PRO 285 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3fb1 n PRO 285 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.92 3fb1 n PRO 285 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3fb1 n LYS 286 N -0.83 0.00 0.00 -0.52 5.02 -1.26 -5.21 118.16 115.36 3fb1 n LYS 286 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3fb1 n LYS 286 Cb 0.00 -2.95 0.00 0.00 -0.02 0.00 0.00 35.03 32.06 3fb1 n LYS 286 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41