#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fk8 s SER 2 N 0.00 5.07 -0.12 6.12 0.15 -1.26 -4.96 113.70 118.70 1fk8 s SER 2 Ca 0.00 -2.40 -0.17 0.00 0.70 0.00 0.00 55.95 54.07 1fk8 s SER 2 Cb 0.00 -1.78 -0.04 0.00 -1.71 0.00 0.00 66.02 62.48 1fk8 s SER 2 CO 0.00 -0.43 0.45 -0.63 1.20 0.00 0.00 173.24 173.83 1fk8 s ILE 3 N 0.59 5.19 -0.14 6.45 1.01 -1.26 -0.41 121.20 132.64 1fk8 s ILE 3 Ca 0.12 0.90 0.01 0.00 0.00 0.00 0.00 60.65 61.68 1fk8 s ILE 3 Cb -0.22 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.48 1fk8 s ILE 3 CO -0.04 0.35 -0.17 -0.63 0.00 0.00 0.00 174.94 174.45 1fk8 s ILE 4 N 0.51 1.72 -0.09 2.92 -1.09 -0.27 -0.15 121.20 124.75 1fk8 s ILE 4 Ca 0.25 -0.76 -0.18 0.00 -2.23 0.00 0.00 60.65 57.73 1fk8 s ILE 4 Cb -0.15 -1.57 -0.05 0.00 -1.58 0.00 0.00 42.46 39.11 1fk8 s ILE 4 CO 0.10 0.48 0.47 -0.69 -1.23 0.00 0.00 174.94 174.07 1fk8 s VAL 5 N 1.15 5.14 -0.14 2.92 1.01 -0.14 -1.90 120.40 128.44 1fk8 s VAL 5 Ca -0.01 0.95 -0.00 0.00 0.00 0.00 0.00 61.98 62.91 1fk8 s VAL 5 Cb -0.14 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.46 1fk8 s VAL 5 CO -0.06 0.38 -0.07 -0.63 0.00 0.00 0.00 175.10 174.72 1fk8 s ILE 6 N 0.27 1.09 0.26 2.22 1.01 -0.49 -0.45 121.20 125.11 1fk8 s ILE 6 Ca 0.26 -0.45 -0.10 0.00 0.00 0.00 0.00 60.65 60.35 1fk8 s ILE 6 Cb -0.16 -1.17 -0.07 0.00 0.01 0.00 0.00 42.46 41.07 1fk8 s ILE 6 CO 0.11 0.27 0.59 -0.94 0.00 0.00 0.00 174.94 174.97 1fk8 s SER 7 N 1.66 6.64 -1.15 3.58 1.04 -0.18 -0.50 113.70 124.79 1fk8 s SER 7 Ca 0.03 0.98 -0.01 0.00 0.48 0.00 0.00 55.95 57.44 1fk8 s SER 7 Cb -0.14 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1fk8 s SER 7 CO -0.08 -0.11 0.07 0.61 0.98 0.00 0.00 173.24 174.71 1fk8 n GLY 8 N -0.25 -0.18 0.14 7.32 0.00 0.57 -1.35 105.19 111.43 1fk8 n GLY 8 Ca 0.01 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.87 1fk8 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fk8 h ALA 10 N 2.29 0.96 -4.37 0.00 0.00 -1.81 -2.98 119.26 113.36 1fk8 h ALA 10 Ca 0.00 -0.35 -0.36 0.00 0.00 0.00 0.00 54.91 54.20 1fk8 h ALA 10 Cb 0.48 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 1fk8 h ALA 10 CO 0.00 0.61 -0.31 0.25 0.00 0.00 0.00 179.25 179.80 1fk8 n THR 11 N -4.13 0.00 -1.58 0.00 -2.24 -1.26 -4.74 114.28 100.33 1fk8 n THR 11 Ca 0.00 -1.94 0.00 0.00 -2.27 0.00 0.00 64.05 59.84 1fk8 n THR 11 Cb 0.41 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 1fk8 n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fk8 n GLY 12 N -0.54 2.25 0.31 3.38 0.00 -1.26 -2.04 105.19 107.29 1fk8 n GLY 12 Ca 0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 1fk8 n GLY 12 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1fk8 h ILE 13 N 0.00 1.19 -0.65 -0.61 2.04 -1.89 -1.49 117.51 116.10 1fk8 h ILE 13 Ca 0.00 -0.36 0.05 0.00 1.00 0.00 0.00 64.86 65.55 1fk8 h ILE 13 Cb 0.00 0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.06 1fk8 h ILE 13 CO 0.00 0.19 0.37 1.23 0.00 0.00 0.00 178.15 179.94 1fk8 h GLY 14 N 1.06 0.94 1.06 5.37 0.00 -1.61 0.28 103.07 110.16 1fk8 h GLY 14 Ca 0.30 -0.26 -0.11 0.00 0.00 0.00 0.00 47.33 47.26 1fk8 h GLY 14 CO -0.07 0.18 -0.10 0.00 0.00 0.00 0.00 176.54 176.54 1fk8 h ALA 15 N 1.32 0.68 -0.19 3.60 0.00 -1.01 -0.47 119.26 123.19 1fk8 h ALA 15 Ca 0.28 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1fk8 h ALA 15 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1fk8 h ALA 15 CO -0.16 0.58 -0.32 0.00 0.00 0.00 0.00 179.25 179.36 1fk8 h ALA 16 N 0.90 1.10 -0.23 0.00 0.00 -0.73 -2.11 119.26 118.19 1fk8 h ALA 16 Ca 0.13 -0.37 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 1fk8 h ALA 16 Cb 0.66 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1fk8 h ALA 16 CO 0.05 0.56 -0.60 1.15 0.00 0.00 0.00 179.25 180.41 1fk8 h THR 17 N 0.33 1.28 -0.55 0.00 2.02 -0.28 -2.47 112.91 113.24 1fk8 h THR 17 Ca 0.04 -1.79 0.01 0.00 0.77 0.00 0.00 66.41 65.44 1fk8 h THR 17 Cb 0.73 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.89 1fk8 h THR 17 CO 0.06 0.58 0.36 -0.09 0.37 0.00 0.00 175.52 176.79 1fk8 h ARG 18 N 0.57 0.70 -0.30 6.66 2.43 -0.88 -0.42 114.38 123.14 1fk8 h ARG 18 Ca -0.01 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1fk8 h ARG 18 Cb 1.22 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 1fk8 h ARG 18 CO 0.13 0.47 0.15 -0.22 -1.51 0.00 0.00 179.97 178.99 1fk8 h LYS 19 N 0.72 0.31 -0.21 0.20 3.64 -1.32 0.02 116.57 119.92 1fk8 h LYS 19 Ca 0.21 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1fk8 h LYS 19 Cb -0.06 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1fk8 h LYS 19 CO -0.06 0.20 -0.02 0.28 -2.27 0.00 0.00 179.45 177.59 1fk8 h VAL 20 N 0.32 1.27 -0.05 2.00 2.07 -1.15 -2.14 116.25 118.56 1fk8 h VAL 20 Ca 0.13 -0.93 -0.09 0.00 0.82 0.00 0.00 66.70 66.62 1fk8 h VAL 20 Cb 0.04 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1fk8 h VAL 20 CO -0.09 0.28 -0.40 -0.07 0.02 0.00 0.00 177.57 177.32 1fk8 h LEU 21 N 0.13 0.11 -0.66 2.57 3.38 -1.01 -2.06 115.31 117.77 1fk8 h LEU 21 Ca 0.06 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1fk8 h LEU 21 Cb 0.43 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1fk8 h LEU 21 CO 0.01 0.51 -0.29 -0.33 0.09 0.00 0.00 178.44 178.43 1fk8 h GLU 22 N 0.09 0.73 0.00 1.13 5.08 -0.91 -1.85 114.58 118.85 1fk8 h GLU 22 Ca 0.01 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 1fk8 h GLU 22 Cb 0.75 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1fk8 h GLU 22 CO 0.06 0.93 -0.28 0.00 -1.00 0.00 0.00 179.01 178.72 1fk8 h ALA 23 N 1.05 1.31 0.00 3.43 0.00 -0.96 -1.19 119.26 122.89 1fk8 h ALA 23 Ca 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1fk8 h ALA 23 Cb 0.80 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1fk8 h ALA 23 CO 0.07 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1fk8 n ALA 24 N -2.38 2.56 -0.38 0.00 0.00 -0.81 -4.87 120.51 114.63 1fk8 n ALA 24 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1fk8 n ALA 24 Cb 0.36 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1fk8 n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fk8 n GLY 25 N 0.69 0.73 3.82 0.00 0.00 -0.45 -5.07 105.19 104.91 1fk8 n GLY 25 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1fk8 n GLY 25 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1fk8 s HIS 26 N -2.49 3.46 -0.20 1.61 3.76 -0.75 -4.82 115.29 115.86 1fk8 s HIS 26 Ca 0.00 1.48 -0.17 0.00 -0.15 0.00 0.00 55.06 56.22 1fk8 s HIS 26 Cb 0.00 -2.72 -0.04 0.00 1.11 0.00 0.00 32.58 30.93 1fk8 s HIS 26 CO 0.00 0.09 0.46 -1.14 -0.85 0.00 0.00 174.74 173.30 1fk8 s GLN 27 N -2.70 4.17 -0.15 1.40 0.74 0.45 -4.36 119.66 119.22 1fk8 s GLN 27 Ca 0.54 0.30 -0.07 0.00 0.05 0.00 0.00 55.36 56.18 1fk8 s GLN 27 Cb -0.12 -3.55 -0.04 0.00 1.10 0.00 0.00 33.01 30.39 1fk8 s GLN 27 CO 0.18 -0.10 0.08 0.42 -0.55 0.00 0.00 175.29 175.32 1fk8 s ILE 28 N 1.50 5.01 -0.36 -2.34 -1.09 -1.26 -1.12 121.20 121.54 1fk8 s ILE 28 Ca 0.21 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.67 1fk8 s ILE 28 Cb -0.15 -3.21 0.10 0.00 -1.58 0.00 0.00 42.46 37.61 1fk8 s ILE 28 CO 0.09 0.53 0.10 -0.69 -1.23 0.00 0.00 174.94 173.74 1fk8 s VAL 29 N -0.29 2.83 0.33 2.92 1.01 -0.80 -4.93 120.40 121.46 1fk8 s VAL 29 Ca 0.09 -2.04 -0.06 0.00 0.00 0.00 0.00 61.98 59.97 1fk8 s VAL 29 Cb -0.12 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 1fk8 s VAL 29 CO 0.01 -0.54 0.61 -0.83 0.00 0.00 0.00 175.10 174.35 1fk8 s GLY 30 N 1.38 1.82 -0.09 4.51 0.00 -1.26 -1.39 107.32 112.28 1fk8 s GLY 30 Ca 0.06 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.27 1fk8 s GLY 30 CO -0.05 -0.39 -0.07 -0.42 0.00 0.00 0.00 173.10 172.17 1fk8 s ILE 31 N -2.19 0.92 0.08 0.90 1.01 0.34 -0.77 121.20 121.50 1fk8 s ILE 31 Ca 0.45 -0.26 -0.26 0.00 0.00 0.00 0.00 60.65 60.58 1fk8 s ILE 31 Cb -0.11 -0.93 0.09 0.00 0.01 0.00 0.00 42.46 41.52 1fk8 s ILE 31 CO 0.31 0.34 1.15 -0.62 0.00 0.00 0.00 174.94 176.12 1fk8 s ASP 32 N 1.45 -0.04 0.04 3.58 3.68 -0.86 -0.32 116.67 124.20 1fk8 s ASP 32 Ca -0.01 -0.38 0.22 0.00 2.13 0.00 0.00 52.55 54.52 1fk8 s ASP 32 Cb -0.13 0.33 0.93 0.00 -1.45 0.00 0.00 42.92 42.60 1fk8 s ASP 32 CO -0.05 -0.64 1.71 2.30 0.13 0.00 0.00 175.17 178.63 1fk8 n ILE 33 N -0.65 0.53 -3.65 4.11 -5.35 -1.15 -0.30 119.36 112.89 1fk8 n ILE 33 Ca -0.03 0.10 -0.06 0.00 -0.27 0.00 0.00 62.75 62.48 1fk8 n ILE 33 Cb 0.60 -0.77 -0.02 0.00 -1.74 0.00 0.00 39.64 37.72 1fk8 n ILE 33 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1fk8 s ARG 34 N -3.04 1.13 -1.32 6.28 1.70 -1.26 -4.75 118.95 117.69 1fk8 s ARG 34 Ca 0.10 -0.56 -0.11 0.00 -0.47 0.00 0.00 55.73 54.70 1fk8 s ARG 34 Cb 0.14 0.43 0.00 0.00 -0.57 0.00 0.00 34.95 34.95 1fk8 s ARG 34 CO 0.42 -0.51 0.51 -0.25 -1.08 0.00 0.00 175.30 174.38 1fk8 n ASP 35 N -0.39 -2.07 -3.69 -2.89 8.00 -1.26 -4.58 116.55 109.67 1fk8 n ASP 35 Ca -0.08 -1.09 -0.14 0.00 0.71 0.00 0.00 54.79 54.20 1fk8 n ASP 35 Cb 0.61 -2.77 -0.07 0.00 -0.02 0.00 0.00 41.12 38.87 1fk8 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fk8 s ALA 36 N -3.81 -0.99 0.41 2.24 0.00 -1.26 -4.53 121.76 113.81 1fk8 s ALA 36 Ca 0.20 0.43 0.18 0.00 0.00 0.00 0.00 51.96 52.77 1fk8 s ALA 36 Cb -0.09 0.19 1.07 0.00 0.00 0.00 0.00 23.12 24.29 1fk8 s ALA 36 CO 0.91 -0.36 1.97 0.93 0.00 0.00 0.00 175.76 179.21 1fk8 h GLU 37 N 3.38 0.00 -4.54 0.00 3.07 -1.87 -3.37 114.58 111.25 1fk8 h GLU 37 Ca -0.30 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 57.92 1fk8 h GLU 37 Cb 1.18 0.00 -0.38 0.00 -0.84 0.00 0.00 28.75 28.71 1fk8 h GLU 37 CO 0.42 0.21 -0.77 0.08 -1.40 0.00 0.00 179.01 177.54 1fk8 s VAL 38 N -4.35 1.85 -0.17 3.13 1.01 0.05 -4.97 120.40 116.95 1fk8 s VAL 38 Ca -0.03 -1.62 -0.27 0.00 0.00 0.00 0.00 61.98 60.06 1fk8 s VAL 38 Cb 0.14 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1fk8 s VAL 38 CO 0.67 -0.23 0.93 -0.63 0.00 0.00 0.00 175.10 175.84 1fk8 s ILE 39 N 1.21 4.80 -0.11 2.22 -1.09 -1.26 -2.03 121.20 124.94 1fk8 s ILE 39 Ca -0.02 1.83 -0.30 0.00 -2.23 0.00 0.00 60.65 59.93 1fk8 s ILE 39 Cb -0.19 -4.22 0.09 0.00 -1.58 0.00 0.00 42.46 36.56 1fk8 s ILE 39 CO -0.08 -0.04 0.82 0.00 -1.23 0.00 0.00 174.94 174.42 1fk8 s ALA 40 N 2.42 -1.84 -0.29 9.38 0.00 0.59 -4.91 121.76 127.12 1fk8 s ALA 40 Ca 0.42 1.47 -0.03 0.00 0.00 0.00 0.00 51.96 53.82 1fk8 s ALA 40 Cb -0.17 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.61 1fk8 s ALA 40 CO 0.12 -0.34 0.00 0.34 0.00 0.00 0.00 175.76 175.88 1fk8 s ASP 41 N -1.04 4.79 -0.00 0.00 3.68 -1.26 -2.95 116.67 119.88 1fk8 s ASP 41 Ca -0.06 -1.04 0.02 0.00 2.13 0.00 0.00 52.55 53.60 1fk8 s ASP 41 Cb -0.01 -1.74 0.07 0.00 -1.45 0.00 0.00 42.92 39.79 1fk8 s ASP 41 CO 0.06 -0.22 0.99 0.18 0.13 0.00 0.00 175.17 176.31 1fk8 n LEU 42 N 4.70 0.56 0.20 -1.34 4.77 -1.26 -3.96 117.00 120.66 1fk8 n LEU 42 Ca -0.14 -0.28 0.14 0.00 -0.03 0.00 0.00 56.01 55.69 1fk8 n LEU 42 Cb 0.45 -0.12 0.44 0.00 -2.33 0.00 0.00 43.42 41.87 1fk8 n LEU 42 CO 0.28 0.13 0.89 0.77 -1.33 0.00 0.00 177.39 178.13 1fk8 h SER 43 N 0.43 0.00 -3.57 -1.43 4.64 -1.90 -3.36 113.55 108.36 1fk8 h SER 43 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 1fk8 h SER 43 Cb 0.18 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.07 1fk8 h SER 43 CO 0.01 0.00 -0.83 0.42 -0.87 0.00 0.00 176.83 175.55 1fk8 s THR 44 N -3.35 2.19 0.25 2.95 -4.23 -1.25 -4.74 115.64 107.46 1fk8 s THR 44 Ca 0.05 -1.88 -0.04 0.00 -1.18 0.00 0.00 61.69 58.65 1fk8 s THR 44 Cb 0.09 -1.99 0.23 0.00 1.34 0.00 0.00 72.50 72.16 1fk8 s THR 44 CO 0.56 -0.07 1.84 0.00 -0.54 0.00 0.00 174.62 176.41 1fk8 h ALA 45 N 3.52 1.24 -0.49 3.99 0.00 -1.93 -1.86 119.26 123.73 1fk8 h ALA 45 Ca -0.47 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 1fk8 h ALA 45 Cb 1.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1fk8 h ALA 45 CO 0.44 0.23 -0.20 1.49 0.00 0.00 0.00 179.25 181.22 1fk8 h GLU 46 N 0.94 1.00 -0.86 0.00 4.57 -1.96 -2.30 114.58 115.98 1fk8 h GLU 46 Ca 0.40 -0.42 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1fk8 h GLU 46 Cb 0.27 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.78 1fk8 h GLU 46 CO -0.21 1.10 0.53 0.78 -1.18 0.00 0.00 179.01 180.03 1fk8 h GLY 47 N 0.89 1.24 1.33 1.92 0.00 -1.59 -1.73 103.07 105.13 1fk8 h GLY 47 Ca 0.11 -0.51 -0.18 0.00 0.00 0.00 0.00 47.33 46.76 1fk8 h GLY 47 CO 0.06 0.49 -0.60 3.21 0.00 0.00 0.00 176.54 179.70 1fk8 h ARG 48 N 1.17 0.69 -0.56 4.80 3.08 -1.31 -1.50 114.38 120.75 1fk8 h ARG 48 Ca 0.31 -0.46 0.03 0.00 0.07 0.00 0.00 59.98 59.93 1fk8 h ARG 48 Cb -0.06 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1fk8 h ARG 48 CO -0.06 1.08 0.32 -0.22 -1.07 0.00 0.00 179.97 180.03 1fk8 h LYS 49 N 0.51 0.61 -0.30 0.04 1.63 -1.16 0.29 116.57 118.20 1fk8 h LYS 49 Ca -0.00 -0.04 -0.15 0.00 -0.85 0.00 0.00 60.65 59.61 1fk8 h LYS 49 Cb 1.18 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.67 1fk8 h LYS 49 CO 0.12 0.40 -0.43 0.37 -3.45 0.00 0.00 179.45 176.46 1fk8 h GLN 50 N 0.63 0.76 -0.53 1.90 5.75 -1.26 -1.80 115.11 120.56 1fk8 h GLN 50 Ca 0.23 -0.41 -0.05 0.00 -0.15 0.00 0.00 58.65 58.27 1fk8 h GLN 50 Cb 0.07 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 1fk8 h GLN 50 CO -0.12 1.04 0.12 0.00 -2.65 0.00 0.00 178.83 177.21 1fk8 h ALA 51 N 0.90 0.70 0.03 3.38 0.00 -0.69 -0.02 119.26 123.56 1fk8 h ALA 51 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1fk8 h ALA 51 Cb 0.99 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1fk8 h ALA 51 CO 0.09 0.40 -0.02 0.82 0.00 0.00 0.00 179.25 180.54 1fk8 h ILE 52 N 0.74 0.95 -0.36 0.00 2.04 -0.34 -0.82 117.51 119.73 1fk8 h ILE 52 Ca 0.16 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.04 1fk8 h ILE 52 Cb 0.35 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1fk8 h ILE 52 CO 0.00 0.00 0.21 0.00 0.00 0.00 0.00 178.15 178.36 1fk8 h ALA 53 N 0.92 0.45 -0.49 1.87 0.00 -1.17 -1.24 119.26 119.60 1fk8 h ALA 53 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1fk8 h ALA 53 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1fk8 h ALA 53 CO -0.00 -0.14 0.20 -0.44 0.00 0.00 0.00 179.25 178.87 1fk8 h ASP 54 N 0.42 0.62 0.08 0.00 3.32 -0.80 -1.86 116.42 118.21 1fk8 h ASP 54 Ca 0.14 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1fk8 h ASP 54 Cb 0.01 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1fk8 h ASP 54 CO -0.07 0.56 -0.04 0.58 -1.72 0.00 0.00 179.24 178.55 1fk8 h VAL 55 N 0.69 1.17 -0.71 -1.35 2.07 -0.75 -3.25 116.25 114.12 1fk8 h VAL 55 Ca 0.17 -1.15 0.08 0.00 0.82 0.00 0.00 66.70 66.61 1fk8 h VAL 55 Cb 0.13 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1fk8 h VAL 55 CO -0.02 0.27 0.46 -0.07 0.02 0.00 0.00 177.57 178.24 1fk8 h LEU 56 N -0.66 0.60 -2.50 2.57 3.38 -1.12 0.87 115.31 118.45 1fk8 h LEU 56 Ca -0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1fk8 h LEU 56 Cb 0.54 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1fk8 h LEU 56 CO 0.02 0.38 -0.02 0.00 0.09 0.00 0.00 178.44 178.91 1fk8 h ALA 57 N 1.63 1.29 -0.00 1.53 0.00 -1.37 -0.04 119.26 122.29 1fk8 h ALA 57 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1fk8 h ALA 57 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1fk8 h ALA 57 CO -0.10 0.03 -0.73 1.63 0.00 0.00 0.00 179.25 180.07 1fk8 n LYS 58 N -3.54 0.28 -2.28 0.00 5.02 0.24 -4.40 118.16 113.49 1fk8 n LYS 58 Ca -0.03 -0.22 -0.21 0.00 -2.02 0.00 0.00 58.31 55.84 1fk8 n LYS 58 Cb 0.11 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.65 1fk8 n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fk8 h SER 60 N 2.39 0.12 -0.10 0.00 4.64 -1.72 0.12 113.55 119.01 1fk8 h SER 60 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1fk8 h SER 60 Cb 1.32 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1fk8 h SER 60 CO 0.70 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 177.03 1fk8 n LYS 61 N -4.46 1.73 0.00 4.77 4.76 -1.26 -5.04 118.16 118.65 1fk8 n LYS 61 Ca 0.05 -1.07 0.00 0.00 -2.87 0.00 0.00 58.31 54.42 1fk8 n LYS 61 Cb 0.33 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 1fk8 n LYS 61 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1fk8 n GLY 62 N 1.16 -2.31 2.98 0.72 0.00 0.41 -4.77 105.19 103.38 1fk8 n GLY 62 Ca 0.18 -2.18 -0.10 0.00 0.00 0.00 0.00 46.02 43.92 1fk8 n GLY 62 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1fk8 s MET 63 N -0.77 0.29 0.20 1.61 0.23 -0.28 -4.75 119.30 115.84 1fk8 s MET 63 Ca 0.00 -0.50 0.23 0.00 -1.03 0.00 0.00 55.69 54.39 1fk8 s MET 63 Cb 0.00 0.11 0.09 0.00 -1.53 0.00 0.00 34.83 33.49 1fk8 s MET 63 CO 0.00 -0.05 1.13 -0.44 -2.03 0.00 0.00 175.02 173.63 1fk8 h ASP 64 N 4.80 0.00 -4.96 -1.18 3.45 -0.85 -3.28 116.42 114.39 1fk8 h ASP 64 Ca -0.31 -0.05 0.02 0.00 0.43 0.00 0.00 57.03 57.13 1fk8 h ASP 64 Cb 1.21 0.00 -0.11 0.00 -0.56 0.00 0.00 39.33 39.87 1fk8 h ASP 64 CO 0.42 0.02 0.27 -0.83 -1.57 0.00 0.00 179.24 177.56 1fk8 s GLY 65 N -4.21 -0.50 -0.07 2.75 0.00 -0.99 -2.48 107.32 101.83 1fk8 s GLY 65 Ca 0.01 0.44 -0.03 0.00 0.00 0.00 0.00 44.72 45.14 1fk8 s GLY 65 CO 0.77 0.14 0.15 -2.27 0.00 0.00 0.00 173.10 171.89 1fk8 s LEU 66 N -2.74 0.57 -0.20 0.66 2.96 -0.84 -0.96 118.68 118.12 1fk8 s LEU 66 Ca 0.04 0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 54.25 1fk8 s LEU 66 Cb -0.02 0.35 0.05 0.00 0.50 0.00 0.00 46.19 47.08 1fk8 s LEU 66 CO -0.09 -0.17 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.06 1fk8 s VAL 67 N 1.38 1.10 -0.56 1.68 1.01 0.40 -0.80 120.40 124.62 1fk8 s VAL 67 Ca -0.07 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 1fk8 s VAL 67 Cb -0.12 -1.40 0.11 0.00 0.00 0.00 0.00 36.38 34.98 1fk8 s VAL 67 CO -0.06 -0.04 0.61 -0.76 0.00 0.00 0.00 175.10 174.84 1fk8 s LEU 68 N 1.61 5.70 0.00 3.92 1.43 -0.59 -1.01 118.68 129.74 1fk8 s LEU 68 Ca -0.02 -1.55 0.12 0.00 -1.03 0.00 0.00 54.13 51.65 1fk8 s LEU 68 Cb -0.17 -2.27 -0.08 0.00 0.03 0.00 0.00 46.19 43.71 1fk8 s LEU 68 CO -0.07 -0.98 0.61 0.00 0.23 0.00 0.00 176.35 176.13 1fk8 n ALA 70 N -0.82 2.08 -3.59 0.00 0.00 -1.15 -4.70 120.51 112.33 1fk8 n ALA 70 Ca 0.04 0.38 -0.06 0.00 0.00 0.00 0.00 53.44 53.79 1fk8 n ALA 70 Cb 0.22 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.25 1fk8 n ALA 70 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1fk8 s GLY 71 N 0.28 -0.21 -0.01 0.00 0.00 -1.26 -4.67 107.32 101.45 1fk8 s GLY 71 Ca 0.62 1.96 0.05 0.00 0.00 0.00 0.00 44.72 47.36 1fk8 s GLY 71 CO 0.52 0.78 -0.17 1.08 0.00 0.00 0.00 173.10 175.32 1fk8 s LEU 72 N -1.65 2.04 0.69 0.66 1.43 -1.26 -5.00 118.68 115.59 1fk8 s LEU 72 Ca 0.06 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1fk8 s LEU 72 Cb -0.01 -0.86 0.11 0.00 0.03 0.00 0.00 46.19 45.46 1fk8 s LEU 72 CO -0.04 0.20 0.96 -0.83 0.23 0.00 0.00 176.35 176.87 1fk8 s GLY 73 N -0.43 1.77 0.95 -3.19 0.00 -1.26 -4.89 107.32 100.27 1fk8 s GLY 73 Ca 0.06 -1.57 -0.11 0.00 0.00 0.00 0.00 44.72 43.10 1fk8 s GLY 73 CO -0.01 -1.06 1.09 2.56 0.00 0.00 0.00 173.10 175.68 1fk8 s PRO 74 N -5.10 0.76 -1.07 2.90 0.04 -1.26 -3.03 135.00 128.24 1fk8 s PRO 74 Ca 0.64 1.06 -0.01 0.00 0.04 0.00 0.00 61.00 62.73 1fk8 s PRO 74 Cb -0.07 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1fk8 s PRO 74 CO 0.43 -2.65 0.15 0.94 0.04 0.00 0.00 177.00 175.91 1fk8 n GLN 75 N -4.20 -1.84 -3.44 4.56 -0.06 -1.26 -4.99 117.38 106.15 1fk8 n GLN 75 Ca 0.08 0.61 -0.38 0.00 -2.00 0.00 0.00 57.00 55.31 1fk8 n GLN 75 Cb 0.54 -4.82 -0.06 0.00 -4.06 0.00 0.00 30.24 21.84 1fk8 n GLN 75 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1fk8 s THR 76 N -2.77 4.95 0.03 1.69 2.01 -1.17 -5.01 115.64 115.37 1fk8 s THR 76 Ca 0.07 0.93 -0.07 0.00 0.31 0.00 0.00 61.69 62.94 1fk8 s THR 76 Cb -0.03 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 1fk8 s THR 76 CO 0.09 0.56 1.12 0.50 -0.69 0.00 0.00 174.62 176.20 1fk8 h LYS 77 N 4.62 -0.10 -4.55 4.92 3.64 -1.94 -3.31 116.57 119.85 1fk8 h LYS 77 Ca -0.51 0.01 -0.72 0.00 -1.27 0.00 0.00 60.65 58.16 1fk8 h LYS 77 Cb 1.22 0.02 -0.21 0.00 -0.41 0.00 0.00 32.23 32.85 1fk8 h LYS 77 CO 0.62 -0.07 0.00 0.14 -2.27 0.00 0.00 179.45 177.88 1fk8 s VAL 78 N -3.56 4.94 0.57 2.00 -7.23 -1.26 -4.91 120.40 110.95 1fk8 s VAL 78 Ca -0.03 -1.06 0.29 0.00 -1.81 0.00 0.00 61.98 59.37 1fk8 s VAL 78 Cb 0.02 -4.41 0.41 0.00 0.56 0.00 0.00 36.38 32.96 1fk8 s VAL 78 CO 0.13 -1.00 1.91 -0.07 -0.31 0.00 0.00 175.10 175.76 1fk8 h LEU 79 N 9.61 0.00 -1.72 1.32 3.38 -1.94 -0.99 115.31 124.97 1fk8 h LEU 79 Ca -0.29 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.70 1fk8 h LEU 79 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1fk8 h LEU 79 CO 1.06 0.00 0.23 1.23 0.09 0.00 0.00 178.44 181.05 1fk8 h GLY 80 N 0.00 0.41 2.00 0.83 0.00 -1.91 -1.55 103.07 102.84 1fk8 h GLY 80 Ca 0.28 -0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.37 1fk8 h GLY 80 CO -0.00 0.13 -0.47 3.43 0.00 0.00 0.00 176.54 179.62 1fk8 h ASN 81 N 0.37 0.00 -0.30 0.19 2.35 -1.53 -2.04 115.58 114.61 1fk8 h ASN 81 Ca 0.14 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1fk8 h ASN 81 Cb 0.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1fk8 h ASN 81 CO -0.03 0.47 0.18 0.58 -1.65 0.00 0.00 177.43 176.98 1fk8 h VAL 82 N 0.00 1.11 -0.33 2.81 2.07 -1.40 0.12 116.25 120.64 1fk8 h VAL 82 Ca -0.00 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1fk8 h VAL 82 Cb 0.87 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1fk8 h VAL 82 CO 0.06 0.11 0.06 0.58 0.02 0.00 0.00 177.57 178.40 1fk8 h VAL 83 N 0.38 1.23 0.20 2.57 2.07 -1.44 -0.80 116.25 120.46 1fk8 h VAL 83 Ca 0.11 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1fk8 h VAL 83 Cb 0.02 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1fk8 h VAL 83 CO -0.02 0.27 -0.09 0.28 0.02 0.00 0.00 177.57 178.03 1fk8 h SER 84 N 0.37 -0.22 0.13 0.57 0.02 -1.15 -1.84 113.55 111.43 1fk8 h SER 84 Ca 0.10 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1fk8 h SER 84 Cb 0.35 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1fk8 h SER 84 CO 0.01 -0.08 -0.06 0.58 -1.14 0.00 0.00 176.83 176.13 1fk8 h VAL 85 N -0.35 1.03 -0.91 2.27 2.07 -1.01 0.10 116.25 119.45 1fk8 h VAL 85 Ca -0.03 -0.99 0.05 0.00 0.82 0.00 0.00 66.70 66.55 1fk8 h VAL 85 Cb 0.27 1.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 1fk8 h VAL 85 CO 0.04 0.22 0.60 0.78 0.02 0.00 0.00 177.57 179.24 1fk8 h ASN 86 N -0.68 0.96 0.00 0.57 4.21 -1.23 -2.44 115.58 116.97 1fk8 h ASN 86 Ca -0.02 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.49 1fk8 h ASN 86 Cb 0.51 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.49 1fk8 h ASN 86 CO 0.03 0.64 0.00 0.00 -1.29 0.00 0.00 177.43 176.81 1fk8 n TYR 87 N -4.46 0.00 -0.09 1.19 9.36 -0.69 -4.40 117.16 118.07 1fk8 n TYR 87 Ca 0.13 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.39 1fk8 n TYR 87 Cb 0.14 -0.04 0.38 0.00 -0.63 0.00 0.00 39.34 39.20 1fk8 n TYR 87 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1fk8 h PHE 88 N 0.00 0.64 0.00 2.98 0.04 -1.55 0.20 116.94 119.25 1fk8 h PHE 88 Ca 0.00 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 1fk8 h PHE 88 Cb 0.00 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 37.93 1fk8 h PHE 88 CO 0.00 0.38 -0.00 0.78 -0.60 0.00 0.00 178.31 178.87 1fk8 h GLY 89 N 0.67 0.00 0.00 -1.45 0.00 -0.29 -1.57 103.07 100.43 1fk8 h GLY 89 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.21 1fk8 h GLY 89 CO -0.06 0.00 -2.11 0.00 0.00 0.00 0.00 176.54 174.37 1fk8 n ALA 90 N -2.10 1.36 -0.08 3.60 0.00 0.06 -4.31 120.51 119.05 1fk8 n ALA 90 Ca -0.03 -0.93 -0.09 0.00 0.00 0.00 0.00 53.44 52.38 1fk8 n ALA 90 Cb 0.07 0.16 -0.02 0.00 0.00 0.00 0.00 19.45 19.66 1fk8 n ALA 90 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1fk8 h THR 91 N -0.88 1.08 -0.43 0.00 2.02 -0.64 -0.82 112.91 113.23 1fk8 h THR 91 Ca -0.52 -0.15 -0.09 0.00 0.77 0.00 0.00 66.41 66.43 1fk8 h THR 91 Cb 1.43 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 1fk8 h THR 91 CO -0.31 0.07 -0.10 -0.33 0.37 0.00 0.00 175.52 175.22 1fk8 h GLU 92 N 0.38 0.77 -0.05 6.66 5.08 -1.52 -1.79 114.58 124.11 1fk8 h GLU 92 Ca 0.10 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1fk8 h GLU 92 Cb -0.04 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1fk8 h GLU 92 CO -0.02 0.85 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.73 1fk8 h LEU 93 N 0.70 0.12 -0.71 1.33 4.07 -1.67 -1.96 115.31 117.19 1fk8 h LEU 93 Ca 0.12 -0.44 -0.02 0.00 0.08 0.00 0.00 57.88 57.62 1fk8 h LEU 93 Cb 0.58 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.25 1fk8 h LEU 93 CO 0.04 0.53 0.35 0.00 -1.08 0.00 0.00 178.44 178.28 1fk8 h MET 94 N -0.30 1.02 -0.67 1.13 -0.00 -1.12 -0.33 114.93 114.65 1fk8 h MET 94 Ca 0.01 -0.14 -0.03 0.00 -0.00 0.00 0.00 59.70 59.54 1fk8 h MET 94 Cb 0.49 -0.19 -0.03 0.00 -0.00 0.00 0.00 31.60 31.88 1fk8 h MET 94 CO 0.01 0.79 0.31 -0.44 -0.00 0.00 0.00 176.91 177.58 1fk8 h ASP 95 N 0.99 0.87 1.52 -0.10 3.32 -1.33 -2.19 116.42 119.50 1fk8 h ASP 95 Ca 0.25 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 1fk8 h ASP 95 Cb 0.10 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1fk8 h ASP 95 CO -0.03 0.75 -0.43 0.00 -1.72 0.00 0.00 179.24 177.81 1fk8 h ALA 96 N 1.38 0.74 -0.00 3.45 0.00 -0.99 -3.30 119.26 120.53 1fk8 h ALA 96 Ca 0.23 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1fk8 h ALA 96 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1fk8 h ALA 96 CO -0.03 0.53 -0.42 1.19 0.00 0.00 0.00 179.25 180.53 1fk8 n PHE 97 N -3.22 0.00 -0.16 0.00 3.72 -0.17 -4.29 117.46 113.34 1fk8 n PHE 97 Ca 0.02 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.39 1fk8 n PHE 97 Cb 0.69 -0.23 0.06 0.00 -0.94 0.00 0.00 39.48 39.06 1fk8 n PHE 97 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1fk8 h LEU 98 N 0.27 0.25 -0.94 4.37 6.46 -1.49 -0.15 115.31 124.07 1fk8 h LEU 98 Ca 0.00 0.05 0.10 0.00 -0.12 0.00 0.00 57.88 57.91 1fk8 h LEU 98 Cb 0.50 0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 40.36 1fk8 h LEU 98 CO 0.00 0.17 0.58 -0.65 -0.62 0.00 0.00 178.44 177.92 1fk8 h PRO 99 N 0.40 0.93 -0.13 5.25 0.11 -1.83 0.18 132.00 136.92 1fk8 h PRO 99 Ca 0.23 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 66.13 1fk8 h PRO 99 Cb 0.21 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 1fk8 h PRO 99 CO -0.21 0.61 -0.60 0.00 -0.21 0.00 0.00 178.00 177.60 1fk8 h ALA 100 N 1.50 0.74 -0.55 -0.75 0.00 -1.66 -3.07 119.26 115.47 1fk8 h ALA 100 Ca 0.45 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1fk8 h ALA 100 Cb 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1fk8 h ALA 100 CO -0.24 0.71 0.04 -0.07 0.00 0.00 0.00 179.25 179.69 1fk8 h LEU 101 N 0.31 0.92 -2.26 0.00 -0.00 0.23 -0.66 115.31 113.85 1fk8 h LEU 101 Ca -0.00 -0.29 0.05 0.00 -0.00 0.00 0.00 57.88 57.64 1fk8 h LEU 101 Cb 1.13 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 41.54 1fk8 h LEU 101 CO 0.10 0.98 0.19 0.11 -0.00 0.00 0.00 178.44 179.82 1fk8 h LYS 102 N 0.83 0.00 -0.12 1.13 1.57 -0.60 -0.13 116.57 119.25 1fk8 h LYS 102 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1fk8 h LYS 102 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1fk8 h LYS 102 CO 0.02 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.53 1fk8 n LYS 103 N -3.76 1.88 -2.40 3.15 5.02 -1.04 -4.95 118.16 116.06 1fk8 n LYS 103 Ca 0.01 -1.30 -0.25 0.00 -2.02 0.00 0.00 58.31 54.75 1fk8 n LYS 103 Cb 0.30 -1.45 0.10 0.00 -0.02 0.00 0.00 35.03 33.96 1fk8 n LYS 103 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1fk8 s GLY 104 N -1.78 1.76 -0.34 0.72 0.00 -0.06 -4.79 107.32 102.83 1fk8 s GLY 104 Ca 0.35 -1.38 -0.17 0.00 0.00 0.00 0.00 44.72 43.51 1fk8 s GLY 104 CO 0.30 -0.87 0.48 -1.58 0.00 0.00 0.00 173.10 171.43 1fk8 s HIS 105 N -3.21 3.19 -1.37 1.90 2.46 -1.26 -4.23 115.29 112.77 1fk8 s HIS 105 Ca 0.64 0.19 -0.02 0.00 0.47 0.00 0.00 55.06 56.34 1fk8 s HIS 105 Cb -0.07 -2.85 0.01 0.00 -0.13 0.00 0.00 32.58 29.54 1fk8 s HIS 105 CO 0.45 -0.49 0.64 1.04 -2.47 0.00 0.00 174.74 173.91 1fk8 n GLN 106 N 5.65 -4.42 -1.75 2.88 6.02 -1.26 -4.86 117.38 119.64 1fk8 n GLN 106 Ca -0.06 0.54 -0.42 0.00 -0.01 0.00 0.00 57.00 57.06 1fk8 n GLN 106 Cb 0.49 -5.00 -0.01 0.00 1.02 0.00 0.00 30.24 26.74 1fk8 n GLN 106 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1fk8 n PRO 107 N -4.36 2.59 -3.74 -1.09 -0.04 -1.26 -4.95 135.00 122.17 1fk8 n PRO 107 Ca -0.26 0.91 -0.11 0.00 -0.04 0.00 0.00 63.50 64.00 1fk8 n PRO 107 Cb 0.66 -2.64 -0.07 0.00 -0.04 0.00 0.00 33.50 31.41 1fk8 n PRO 107 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fk8 s ALA 108 N -0.72 -0.70 0.02 0.55 0.00 -1.03 -2.79 121.76 117.08 1fk8 s ALA 108 Ca 0.57 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1fk8 s ALA 108 Cb -0.50 0.41 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1fk8 s ALA 108 CO 0.58 -0.47 -0.03 0.00 0.00 0.00 0.00 175.76 175.84 1fk8 s ALA 109 N -2.94 0.19 -0.05 0.00 0.00 0.69 -1.99 121.76 117.65 1fk8 s ALA 109 Ca -0.02 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 51.51 1fk8 s ALA 109 Cb 0.00 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.22 1fk8 s ALA 109 CO -0.06 -0.08 -0.08 0.08 0.00 0.00 0.00 175.76 175.63 1fk8 s VAL 110 N -0.97 0.82 -0.15 0.00 1.01 0.02 -1.87 120.40 119.26 1fk8 s VAL 110 Ca -0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1fk8 s VAL 110 Cb -0.07 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1fk8 s VAL 110 CO -0.00 0.29 -0.09 -0.69 0.00 0.00 0.00 175.10 174.60 1fk8 s VAL 111 N 0.80 3.34 -0.45 2.92 1.01 0.03 -1.55 120.40 126.51 1fk8 s VAL 111 Ca -0.13 -0.55 -0.24 0.00 0.00 0.00 0.00 61.98 61.06 1fk8 s VAL 111 Cb -0.15 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.82 1fk8 s VAL 111 CO 0.02 0.50 0.85 -0.63 0.00 0.00 0.00 175.10 175.84 1fk8 s ILE 112 N 0.48 4.58 0.00 2.22 1.01 -0.70 -1.90 121.20 126.89 1fk8 s ILE 112 Ca -0.07 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.20 1fk8 s ILE 112 Cb -0.15 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 37.96 1fk8 s ILE 112 CO 0.04 -0.74 0.00 -0.24 0.00 0.00 0.00 174.94 174.00 1fk8 n SER 113 N 6.88 0.00 -3.63 3.58 2.88 -0.13 -4.92 113.62 118.27 1fk8 n SER 113 Ca 0.04 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.55 1fk8 n SER 113 Cb 0.48 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.90 1fk8 n SER 113 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1fk8 s SER 114 N -1.00 -0.09 0.61 -3.46 0.15 -1.25 -4.50 113.70 104.15 1fk8 s SER 114 Ca 0.00 0.09 0.32 0.00 0.70 0.00 0.00 55.95 57.06 1fk8 s SER 114 Cb 0.00 0.07 1.88 0.00 -1.71 0.00 0.00 66.02 66.27 1fk8 s SER 114 CO 0.00 -0.09 2.21 -0.37 1.20 0.00 0.00 173.24 176.19 1fk8 h VAL 115 N 2.12 0.38 0.00 4.45 -1.51 -1.60 0.22 116.25 120.30 1fk8 h VAL 115 Ca -0.09 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1fk8 h VAL 115 Cb 1.18 0.93 -0.00 0.00 -2.13 0.00 0.00 31.29 31.27 1fk8 h VAL 115 CO 0.23 0.00 -0.00 0.00 -1.23 0.00 0.00 177.57 176.57 1fk8 h ALA 116 N 1.88 1.35 -0.20 5.19 0.00 -1.94 -1.32 119.26 124.22 1fk8 h ALA 116 Ca 0.03 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1fk8 h ALA 116 Cb 0.20 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1fk8 h ALA 116 CO -0.00 0.00 0.23 0.66 0.00 0.00 0.00 179.25 180.15 1fk8 h SER 117 N 0.00 0.00 -0.28 0.00 4.64 -0.79 -1.00 113.55 116.13 1fk8 h SER 117 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fk8 h SER 117 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1fk8 h SER 117 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1fk8 n ALA 118 N -2.31 2.43 1.76 5.18 0.00 -0.50 -4.19 120.51 122.88 1fk8 n ALA 118 Ca 0.02 -0.90 0.15 0.00 0.00 0.00 0.00 53.44 52.70 1fk8 n ALA 118 Cb 0.36 -0.85 0.73 0.00 0.00 0.00 0.00 19.45 19.69 1fk8 n ALA 118 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1fk8 n HIS 119 N 1.45 0.01 -3.82 0.00 8.25 -0.38 -4.79 115.22 115.94 1fk8 n HIS 119 Ca 0.18 -0.01 -0.12 0.00 -0.26 0.00 0.00 57.72 57.51 1fk8 n HIS 119 Cb 0.60 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.60 1fk8 n HIS 119 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1fk8 s LEU 120 N -1.95 1.32 0.07 2.41 2.96 -1.26 -5.14 118.68 117.09 1fk8 s LEU 120 Ca 0.42 0.18 -0.20 0.00 -0.22 0.00 0.00 54.13 54.30 1fk8 s LEU 120 Cb 0.21 0.72 -0.07 0.00 0.50 0.00 0.00 46.19 47.55 1fk8 s LEU 120 CO 0.34 -0.19 0.60 0.00 -1.32 0.00 0.00 176.35 175.78 1fk8 s ALA 121 N -0.48 3.55 0.24 5.97 0.00 -1.26 -4.98 121.76 124.79 1fk8 s ALA 121 Ca -0.06 0.08 -0.05 0.00 0.00 0.00 0.00 51.96 51.93 1fk8 s ALA 121 Cb -0.04 -2.71 0.34 0.00 0.00 0.00 0.00 23.12 20.72 1fk8 s ALA 121 CO 0.01 0.33 1.84 0.35 0.00 0.00 0.00 175.76 178.29 1fk8 h PHE 122 N 4.78 0.95 0.00 0.00 3.04 -1.93 -0.26 116.94 123.52 1fk8 h PHE 122 Ca -0.48 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.50 1fk8 h PHE 122 Cb 1.21 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 39.42 1fk8 h PHE 122 CO 0.67 0.47 0.00 -0.40 -2.02 0.00 0.00 178.31 177.03 1fk8 n ASP 123 N -4.65 0.55 -0.14 0.41 3.85 -1.26 -1.71 116.55 113.61 1fk8 n ASP 123 Ca 0.12 0.65 0.08 0.00 -0.71 0.00 0.00 54.79 54.94 1fk8 n ASP 123 Cb 0.19 -0.76 0.12 0.00 -1.35 0.00 0.00 41.12 39.32 1fk8 n ASP 123 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1fk8 n LYS 124 N -2.13 1.77 -3.03 0.11 5.02 -0.37 -4.97 118.16 114.57 1fk8 n LYS 124 Ca 0.02 -2.39 -0.43 0.00 -2.02 0.00 0.00 58.31 53.48 1fk8 n LYS 124 Cb 0.19 -1.43 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 1fk8 n LYS 124 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1fk8 s ASN 125 N -2.42 6.37 0.64 4.39 3.84 -0.25 -4.79 114.94 122.72 1fk8 s ASN 125 Ca 0.27 -0.21 0.29 0.00 0.21 0.00 0.00 52.86 53.42 1fk8 s ASN 125 Cb 0.23 -2.36 1.54 0.00 -0.55 0.00 0.00 41.25 40.12 1fk8 s ASN 125 CO 0.03 -0.86 1.90 -0.65 -2.79 0.00 0.00 177.10 174.73 1fk8 h PRO 126 N 8.93 0.00 0.00 0.43 0.11 -1.90 -1.31 132.00 138.26 1fk8 h PRO 126 Ca -0.25 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 1fk8 h PRO 126 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1fk8 h PRO 126 CO 0.93 0.00 -1.63 1.28 -0.21 0.00 0.00 178.00 178.37 1fk8 n LEU 127 N -3.21 0.35 -0.01 2.35 4.77 -1.26 -4.72 117.00 115.27 1fk8 n LEU 127 Ca 0.02 0.14 -0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1fk8 n LEU 127 Cb 0.49 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1fk8 n LEU 127 CO 0.19 -0.04 0.42 0.00 -1.33 0.00 0.00 177.39 176.63 1fk8 n ALA 128 N -2.26 -0.02 -0.24 -1.18 0.00 -0.49 -0.88 120.51 115.44 1fk8 n ALA 128 Ca -0.04 0.02 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 1fk8 n ALA 128 Cb 0.60 0.41 0.09 0.00 0.00 0.00 0.00 19.45 20.54 1fk8 n ALA 128 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1fk8 h LEU 129 N 0.00 0.63 -0.03 0.00 -0.00 -1.84 0.82 115.31 114.89 1fk8 h LEU 129 Ca 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1fk8 h LEU 129 Cb 0.01 -0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 40.55 1fk8 h LEU 129 CO -0.02 0.42 0.02 0.00 -0.00 0.00 0.00 178.44 178.85 1fk8 h ALA 130 N 1.32 0.03 -0.24 1.53 0.00 -1.75 0.13 119.26 120.29 1fk8 h ALA 130 Ca 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1fk8 h ALA 130 Cb 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1fk8 h ALA 130 CO -0.14 -0.44 0.10 -0.07 0.00 0.00 0.00 179.25 178.69 1fk8 h LEU 131 N -0.01 0.32 -2.16 0.00 3.38 -0.78 0.82 115.31 116.87 1fk8 h LEU 131 Ca 0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1fk8 h LEU 131 Cb 0.05 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1fk8 h LEU 131 CO -0.00 0.38 -0.04 -0.08 0.09 0.00 0.00 178.44 178.78 1fk8 h GLU 132 N 0.24 0.00 -0.02 1.13 4.81 -0.73 -0.17 114.58 119.84 1fk8 h GLU 132 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1fk8 h GLU 132 Cb 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1fk8 h GLU 132 CO -0.01 0.04 -0.06 0.00 -0.73 0.00 0.00 179.01 178.26 1fk8 n ALA 133 N -2.39 2.67 -1.15 2.92 0.00 0.02 -4.94 120.51 117.65 1fk8 n ALA 133 Ca -0.03 -0.50 -0.05 0.00 0.00 0.00 0.00 53.44 52.86 1fk8 n ALA 133 Cb 0.13 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 1fk8 n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fk8 n GLY 134 N 1.25 0.77 3.18 0.00 0.00 -0.08 -4.94 105.19 105.37 1fk8 n GLY 134 Ca 0.16 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 1fk8 n GLY 134 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fk8 n GLU 135 N -2.63 3.36 0.02 1.61 1.02 0.17 -4.83 120.64 119.36 1fk8 n GLU 135 Ca -0.05 -3.48 -0.11 0.00 -0.02 0.00 0.00 57.16 53.50 1fk8 n GLU 135 Cb 0.19 -3.11 -0.06 0.00 -0.02 0.00 0.00 31.44 28.45 1fk8 n GLU 135 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1fk8 h GLU 136 N 6.59 -0.04 -0.62 3.49 4.81 -1.92 -1.19 114.58 125.70 1fk8 h GLU 136 Ca 0.40 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.71 1fk8 h GLU 136 Cb 0.76 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.08 1fk8 h GLU 136 CO 1.50 -0.02 0.28 0.00 -0.73 0.00 0.00 179.01 180.04 1fk8 h ALA 137 N 1.01 0.82 -0.29 2.92 0.00 -1.98 -0.35 119.26 121.38 1fk8 h ALA 137 Ca 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1fk8 h ALA 137 Cb 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1fk8 h ALA 137 CO -0.07 -0.11 0.13 -0.22 0.00 0.00 0.00 179.25 178.98 1fk8 h LYS 138 N 0.51 0.42 -0.64 0.00 3.64 -1.90 -1.48 116.57 117.11 1fk8 h LYS 138 Ca 0.30 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1fk8 h LYS 138 Cb 0.30 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1fk8 h LYS 138 CO -0.25 0.42 0.39 0.00 -2.27 0.00 0.00 179.45 177.74 1fk8 h ALA 139 N 0.98 0.82 -0.47 5.00 0.00 -0.71 -1.40 119.26 123.48 1fk8 h ALA 139 Ca 0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1fk8 h ALA 139 Cb 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1fk8 h ALA 139 CO -0.01 0.29 0.08 0.00 0.00 0.00 0.00 179.25 179.60 1fk8 h ARG 140 N 0.87 0.73 -0.40 0.00 3.08 -0.91 -2.59 114.38 115.16 1fk8 h ARG 140 Ca 0.23 -0.15 -0.12 0.00 0.07 0.00 0.00 59.98 60.01 1fk8 h ARG 140 Cb -0.03 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1fk8 h ARG 140 CO -0.04 0.69 -0.23 0.00 -1.07 0.00 0.00 179.97 179.32 1fk8 h ALA 141 N 1.39 0.85 -0.45 0.04 0.00 -0.75 -2.03 119.26 118.31 1fk8 h ALA 141 Ca 0.15 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1fk8 h ALA 141 Cb 0.32 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1fk8 h ALA 141 CO 0.00 0.64 0.23 0.82 0.00 0.00 0.00 179.25 180.94 1fk8 h ILE 142 N 0.69 0.97 0.00 0.00 2.04 -0.87 -1.19 117.51 119.16 1fk8 h ILE 142 Ca 0.09 -0.16 -0.18 0.00 1.00 0.00 0.00 64.86 65.62 1fk8 h ILE 142 Cb 0.74 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1fk8 h ILE 142 CO 0.06 0.08 -0.85 -0.37 0.00 0.00 0.00 178.15 177.07 1fk8 h VAL 143 N 0.45 1.57 0.00 1.67 -1.51 -1.46 -2.47 116.25 114.50 1fk8 h VAL 143 Ca 0.20 -2.79 0.00 0.00 -1.23 0.00 0.00 66.70 62.88 1fk8 h VAL 143 Cb 0.10 2.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 1fk8 h VAL 143 CO -0.14 0.80 0.00 -0.62 -1.23 0.00 0.00 177.57 176.39 1fk8 n GLU 144 N -3.58 0.01 -0.05 5.19 1.02 -0.77 -2.69 120.64 119.77 1fk8 n GLU 144 Ca -0.02 0.06 0.05 0.00 -0.02 0.00 0.00 57.16 57.23 1fk8 n GLU 144 Cb 0.80 -1.51 0.07 0.00 -0.02 0.00 0.00 31.44 30.78 1fk8 n GLU 144 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1fk8 n HIS 145 N -1.53 0.12 0.04 -0.32 8.25 -0.47 -4.58 115.22 116.74 1fk8 n HIS 145 Ca 0.06 -0.16 -0.09 0.00 -0.26 0.00 0.00 57.72 57.28 1fk8 n HIS 145 Cb 0.31 -0.01 0.06 0.00 1.12 0.00 0.00 29.99 31.46 1fk8 n HIS 145 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fk8 h ALA 146 N 1.77 0.69 -0.26 -1.41 0.00 -1.22 -3.49 119.26 115.34 1fk8 h ALA 146 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1fk8 h ALA 146 Cb 0.48 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1fk8 h ALA 146 CO 0.00 0.73 0.00 0.41 0.00 0.00 0.00 179.25 180.39 1fk8 n GLY 147 N 0.38 2.02 3.56 0.00 0.00 -1.26 -4.75 105.19 105.14 1fk8 n GLY 147 Ca -0.03 -0.42 -0.65 0.00 0.00 0.00 0.00 46.02 44.92 1fk8 n GLY 147 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fk8 n GLU 148 N 12.52 0.00 -4.15 1.61 4.71 -1.26 -0.39 120.64 133.68 1fk8 n GLU 148 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.16 56.83 1fk8 n GLU 148 Cb 0.00 -1.44 -0.04 0.00 -1.01 0.00 0.00 31.44 28.96 1fk8 n GLU 148 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1fk8 n GLN 149 N 4.05 -2.81 0.27 3.49 10.64 -1.26 -4.80 117.38 126.96 1fk8 n GLN 149 Ca 0.31 0.34 0.17 0.00 -1.83 0.00 0.00 57.00 55.99 1fk8 n GLN 149 Cb -0.06 -4.67 0.66 0.00 -0.86 0.00 0.00 30.24 25.31 1fk8 n GLN 149 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 1fk8 h GLY 150 N -1.64 0.00 0.81 2.61 0.00 -1.00 -2.63 103.07 101.22 1fk8 h GLY 150 Ca -0.62 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 1fk8 h GLY 150 CO 0.72 0.00 0.01 -1.33 0.00 0.00 0.00 176.54 175.94 1fk8 h GLY 151 N 2.11 0.31 1.32 4.60 0.00 -1.86 0.89 103.07 110.43 1fk8 h GLY 151 Ca -0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 1fk8 h GLY 151 CO 0.00 0.20 0.15 3.43 0.00 0.00 0.00 176.54 180.32 1fk8 h ASN 152 N 0.05 0.80 -0.14 0.19 2.35 -1.86 0.54 115.58 117.52 1fk8 h ASN 152 Ca 0.05 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 1fk8 h ASN 152 Cb 0.35 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1fk8 h ASN 152 CO 0.01 0.78 0.02 0.25 -1.65 0.00 0.00 177.43 176.84 1fk8 h LEU 153 N 0.83 0.22 -0.78 1.61 5.85 -1.28 0.16 115.31 121.91 1fk8 h LEU 153 Ca 0.18 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1fk8 h LEU 153 Cb 0.29 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1fk8 h LEU 153 CO -0.00 0.42 0.45 0.00 -0.34 0.00 0.00 178.44 178.97 1fk8 h ALA 154 N 0.80 1.00 0.37 1.25 0.00 -0.53 0.54 119.26 122.68 1fk8 h ALA 154 Ca 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1fk8 h ALA 154 Cb 0.30 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1fk8 h ALA 154 CO 0.00 0.48 -0.18 -0.92 0.00 0.00 0.00 179.25 178.64 1fk8 h TYR 155 N 1.07 -0.46 -0.70 0.00 3.20 -0.76 -2.07 116.97 117.26 1fk8 h TYR 155 Ca 0.28 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.10 1fk8 h TYR 155 Cb -0.01 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 1fk8 h TYR 155 CO -0.00 -0.28 0.29 0.00 -1.64 0.00 0.00 178.16 176.52 1fk8 h ALA 156 N -1.14 1.19 -0.30 1.82 0.00 -0.75 -1.62 119.26 118.47 1fk8 h ALA 156 Ca -0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1fk8 h ALA 156 Cb 0.38 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1fk8 h ALA 156 CO 0.08 0.59 0.12 0.78 0.00 0.00 0.00 179.25 180.83 1fk8 h GLY 157 N 1.08 0.48 1.17 0.00 0.00 -0.01 0.12 103.07 105.90 1fk8 h GLY 157 Ca 0.24 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 1fk8 h GLY 157 CO -0.02 0.24 -0.29 1.48 0.00 0.00 0.00 176.54 177.95 1fk8 h SER 158 N 0.33 0.97 -0.39 0.19 4.64 -1.23 -1.70 113.55 116.36 1fk8 h SER 158 Ca 0.10 -0.40 -0.10 0.00 -0.47 0.00 0.00 61.79 60.92 1fk8 h SER 158 Cb 0.18 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1fk8 h SER 158 CO -0.01 1.19 -0.13 0.11 -0.87 0.00 0.00 176.83 177.12 1fk8 h LYS 159 N 0.79 0.79 -0.42 4.77 1.79 -1.20 0.15 116.57 123.24 1fk8 h LYS 159 Ca 0.09 -0.32 -0.02 0.00 -2.18 0.00 0.00 60.65 58.22 1fk8 h LYS 159 Cb 0.87 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.47 1fk8 h LYS 159 CO 0.08 0.94 0.18 -0.97 -1.08 0.00 0.00 179.45 178.60 1fk8 h ASN 160 N 0.60 0.56 -0.01 0.86 -1.24 -0.72 -0.51 115.58 115.11 1fk8 h ASN 160 Ca 0.10 -0.15 -0.07 0.00 0.71 0.00 0.00 56.30 56.89 1fk8 h ASN 160 Cb 0.67 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.56 1fk8 h ASN 160 CO 0.05 0.56 -0.16 0.00 -1.29 0.00 0.00 177.43 176.58 1fk8 h ALA 161 N 1.03 1.35 -0.17 1.57 0.00 -1.16 -2.35 119.26 119.53 1fk8 h ALA 161 Ca 0.14 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1fk8 h ALA 161 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1fk8 h ALA 161 CO -0.01 0.44 -0.05 1.25 0.00 0.00 0.00 179.25 180.88 1fk8 h LEU 162 N 0.31 0.33 -0.71 0.00 6.46 -0.15 0.05 115.31 121.61 1fk8 h LEU 162 Ca 0.06 -0.37 -0.01 0.00 -0.12 0.00 0.00 57.88 57.44 1fk8 h LEU 162 Cb 0.48 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.28 1fk8 h LEU 162 CO 0.03 0.63 0.41 0.74 -0.62 0.00 0.00 178.44 179.63 1fk8 h THR 163 N 0.03 1.21 -0.55 1.05 2.02 -0.95 -0.90 112.91 114.82 1fk8 h THR 163 Ca 0.04 -0.48 -0.06 0.00 0.77 0.00 0.00 66.41 66.68 1fk8 h THR 163 Cb 0.49 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1fk8 h THR 163 CO 0.02 0.22 0.09 0.58 0.37 0.00 0.00 175.52 176.80 1fk8 h VAL 164 N 0.97 1.25 -0.69 3.16 2.07 -1.35 -1.13 116.25 120.53 1fk8 h VAL 164 Ca 0.25 -0.96 0.06 0.00 0.82 0.00 0.00 66.70 66.87 1fk8 h VAL 164 Cb -0.01 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 1fk8 h VAL 164 CO -0.05 0.35 0.39 0.00 0.02 0.00 0.00 177.57 178.29 1fk8 h ALA 165 N 1.00 0.93 -0.34 1.67 0.00 -0.51 0.82 119.26 122.83 1fk8 h ALA 165 Ca 0.17 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1fk8 h ALA 165 Cb 0.41 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1fk8 h ALA 165 CO 0.01 0.08 0.04 0.28 0.00 0.00 0.00 179.25 179.66 1fk8 h VAL 166 N 0.72 1.24 -0.48 0.00 2.07 -0.88 -2.87 116.25 116.06 1fk8 h VAL 166 Ca 0.31 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 1fk8 h VAL 166 Cb 0.18 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1fk8 h VAL 166 CO -0.18 0.29 0.10 0.03 0.02 0.00 0.00 177.57 177.83 1fk8 h ARG 167 N 0.40 0.74 0.00 1.57 3.08 -0.53 -1.89 114.38 117.75 1fk8 h ARG 167 Ca 0.10 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1fk8 h ARG 167 Cb 0.38 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1fk8 h ARG 167 CO 0.01 0.69 0.00 1.63 -1.07 0.00 0.00 179.97 181.23 1fk8 n LYS 168 N -4.28 0.19 0.00 0.04 5.02 0.22 -2.16 118.16 117.20 1fk8 n LYS 168 Ca 0.03 0.37 0.13 0.00 -2.02 0.00 0.00 58.31 56.82 1fk8 n LYS 168 Cb 0.23 -1.83 0.29 0.00 -0.02 0.00 0.00 35.03 33.69 1fk8 n LYS 168 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1fk8 n ARG 169 N -2.18 1.31 -0.16 1.97 1.74 -0.72 -4.44 116.66 114.18 1fk8 n ARG 169 Ca 0.03 -0.90 -0.03 0.00 -0.77 0.00 0.00 57.85 56.17 1fk8 n ARG 169 Cb 0.26 -1.48 0.06 0.00 -1.02 0.00 0.00 32.46 30.28 1fk8 n ARG 169 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fk8 h ALA 170 N 4.02 0.60 0.14 7.54 0.00 -1.33 -1.08 119.26 129.14 1fk8 h ALA 170 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1fk8 h ALA 170 Cb 0.63 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1fk8 h ALA 170 CO 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 179.25 178.97 1fk8 h ALA 171 N 1.32 -0.19 -0.42 0.00 0.00 -1.81 0.11 119.26 118.27 1fk8 h ALA 171 Ca 0.23 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1fk8 h ALA 171 Cb 0.24 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1fk8 h ALA 171 CO -0.24 -0.60 0.21 0.00 0.00 0.00 0.00 179.25 178.62 1fk8 h ALA 172 N 0.65 0.55 -0.24 0.00 0.00 -1.81 -0.68 119.26 117.72 1fk8 h ALA 172 Ca -0.02 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1fk8 h ALA 172 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1fk8 h ALA 172 CO 0.03 0.11 -0.37 -1.49 0.00 0.00 0.00 179.25 177.53 1fk8 h TRP 173 N 0.54 0.63 -0.40 0.00 4.06 -1.15 -1.31 115.95 118.33 1fk8 h TRP 173 Ca 0.15 -0.17 -0.02 0.00 2.06 0.00 0.00 58.89 60.90 1fk8 h TRP 173 Cb 0.11 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.12 1fk8 h TRP 173 CO -0.01 0.83 0.16 0.78 -3.56 0.00 0.00 178.44 176.64 1fk8 h GLY 174 N 1.06 0.65 1.39 1.49 0.00 -0.56 0.50 103.07 107.60 1fk8 h GLY 174 Ca 0.05 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1fk8 h GLY 174 CO 0.07 0.33 0.38 0.83 0.00 0.00 0.00 176.54 178.15 1fk8 h GLU 175 N 0.51 0.82 0.00 4.80 5.08 -0.84 -0.18 114.58 124.76 1fk8 h GLU 175 Ca 0.13 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1fk8 h GLU 175 Cb 0.19 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1fk8 h GLU 175 CO -0.01 0.56 0.00 0.00 -1.00 0.00 0.00 179.01 178.56 1fk8 n ALA 176 N -2.44 2.30 -1.41 3.43 0.00 -0.52 -4.89 120.51 116.97 1fk8 n ALA 176 Ca 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 1fk8 n ALA 176 Cb 0.06 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.09 1fk8 n ALA 176 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fk8 n GLY 177 N 0.85 0.49 3.08 0.00 0.00 -0.08 -4.78 105.19 104.75 1fk8 n GLY 177 Ca 0.13 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 1fk8 n GLY 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fk8 s VAL 178 N -2.13 1.88 0.35 1.61 1.01 0.07 -4.62 120.40 118.57 1fk8 s VAL 178 Ca 0.00 -0.83 -0.27 0.00 0.00 0.00 0.00 61.98 60.89 1fk8 s VAL 178 Cb 0.00 -1.72 -0.09 0.00 0.00 0.00 0.00 36.38 34.57 1fk8 s VAL 178 CO 0.00 0.51 1.13 -0.13 0.00 0.00 0.00 175.10 176.61 1fk8 s ARG 179 N 1.35 4.31 -0.09 2.72 0.52 -1.12 -4.07 118.95 122.57 1fk8 s ARG 179 Ca 0.05 1.78 -0.03 0.00 -0.52 0.00 0.00 55.73 57.01 1fk8 s ARG 179 Cb -0.13 -2.86 0.04 0.00 0.52 0.00 0.00 34.95 32.52 1fk8 s ARG 179 CO -0.12 -0.08 0.08 -1.17 0.02 0.00 0.00 175.30 174.03 1fk8 s LEU 180 N -2.10 0.18 0.21 2.53 2.96 -1.26 -0.22 118.68 120.97 1fk8 s LEU 180 Ca 0.52 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.32 1fk8 s LEU 180 Cb -0.30 -0.13 -0.05 0.00 0.50 0.00 0.00 46.19 46.21 1fk8 s LEU 180 CO 0.38 -0.28 0.08 0.20 -1.32 0.00 0.00 176.35 175.41 1fk8 s ASN 181 N 2.17 0.80 0.23 3.68 0.01 -0.78 -0.21 114.94 120.83 1fk8 s ASN 181 Ca 0.04 -1.31 0.09 0.00 -0.71 0.00 0.00 52.86 50.96 1fk8 s ASN 181 Cb -0.13 0.23 -0.05 0.00 0.41 0.00 0.00 41.25 41.71 1fk8 s ASN 181 CO -0.05 -0.72 -0.15 0.42 -1.51 0.00 0.00 177.10 175.08 1fk8 s THR 182 N -3.88 1.92 0.13 1.60 -4.23 -0.21 -0.79 115.64 110.18 1fk8 s THR 182 Ca 0.33 -2.26 0.11 0.00 -1.18 0.00 0.00 61.69 58.70 1fk8 s THR 182 Cb 0.07 -2.14 -0.04 0.00 1.34 0.00 0.00 72.50 71.73 1fk8 s THR 182 CO 0.09 -0.52 -0.27 0.27 -0.54 0.00 0.00 174.62 173.65 1fk8 s ILE 183 N -2.86 2.26 -0.50 2.99 -4.36 -0.80 -0.93 121.20 117.00 1fk8 s ILE 183 Ca 0.25 -1.76 0.03 0.00 -0.26 0.00 0.00 60.65 58.91 1fk8 s ILE 183 Cb -0.01 -2.00 0.14 0.00 1.25 0.00 0.00 42.46 41.83 1fk8 s ILE 183 CO 0.09 0.09 0.27 0.00 0.24 0.00 0.00 174.94 175.63 1fk8 s ALA 184 N -1.06 2.85 0.63 2.27 0.00 0.97 -0.96 121.76 126.47 1fk8 s ALA 184 Ca 0.14 -3.03 -0.17 0.00 0.00 0.00 0.00 51.96 48.90 1fk8 s ALA 184 Cb -0.10 -2.04 -0.01 0.00 0.00 0.00 0.00 23.12 20.97 1fk8 s ALA 184 CO 0.06 -2.04 1.17 -2.14 0.00 0.00 0.00 175.76 172.81 1fk8 s PRO 185 N -0.12 2.79 0.00 0.00 0.02 -1.26 -1.61 135.00 134.82 1fk8 s PRO 185 Ca 0.18 1.68 0.00 0.00 0.02 0.00 0.00 61.00 62.88 1fk8 s PRO 185 Cb -0.23 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.37 1fk8 s PRO 185 CO -0.02 -1.31 0.00 0.41 -0.33 0.00 0.00 177.00 175.75 1fk8 n GLY 186 N 0.19 3.49 3.67 0.52 0.00 -0.33 -2.28 105.19 110.45 1fk8 n GLY 186 Ca 0.13 -1.88 -0.45 0.00 0.00 0.00 0.00 46.02 43.81 1fk8 n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fk8 n ALA 187 N -3.00 1.25 -2.45 4.61 0.00 -1.26 -4.95 120.51 114.71 1fk8 n ALA 187 Ca 0.00 0.25 -0.31 0.00 0.00 0.00 0.00 53.44 53.38 1fk8 n ALA 187 Cb 0.00 -2.58 -0.13 0.00 0.00 0.00 0.00 19.45 16.74 1fk8 n ALA 187 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1fk8 s THR 188 N 4.17 2.78 -1.16 0.00 2.01 -1.26 -1.50 115.64 120.67 1fk8 s THR 188 Ca 0.91 -1.09 -0.07 0.00 0.31 0.00 0.00 61.69 61.74 1fk8 s THR 188 Cb -0.57 -2.14 -0.06 0.00 0.01 0.00 0.00 72.50 69.74 1fk8 s THR 188 CO 0.47 0.41 2.40 -0.62 -0.69 0.00 0.00 174.62 176.58 1fk8 n GLU 189 N 1.78 2.63 -4.23 4.92 -0.58 0.33 -4.81 120.64 120.68 1fk8 n GLU 189 Ca -0.16 -1.71 -0.34 0.00 -0.42 0.00 0.00 57.16 54.52 1fk8 n GLU 189 Cb 0.52 -2.57 -0.14 0.00 -0.57 0.00 0.00 31.44 28.68 1fk8 n GLU 189 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1fk8 s THR 190 N 3.00 3.41 -0.08 2.62 2.01 -1.26 -4.67 115.64 120.67 1fk8 s THR 190 Ca 0.50 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.99 1fk8 s THR 190 Cb 0.13 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 70.13 1fk8 s THR 190 CO -0.04 0.46 0.00 -0.81 -0.69 0.00 0.00 174.62 173.54 1fk8 n PRO 191 N 4.21 0.00 0.00 4.92 -0.04 -1.26 -5.16 135.00 137.67 1fk8 n PRO 191 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1fk8 n PRO 191 Cb 0.52 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 1fk8 n PRO 191 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1fk8 n PHE 209 N 0.86 0.00 -5.04 0.54 7.35 -1.26 -5.15 117.46 114.77 1fk8 n PHE 209 Ca 0.00 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.37 1fk8 n PHE 209 Cb 0.00 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 39.68 1fk8 n PHE 209 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1fk8 s VAL 210 N 0.00 2.59 0.34 -2.13 1.01 -1.26 -5.09 120.40 115.86 1fk8 s VAL 210 Ca 0.00 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 60.86 1fk8 s VAL 210 Cb 0.00 -2.01 -0.13 0.00 0.00 0.00 0.00 36.38 34.24 1fk8 s VAL 210 CO 0.00 0.56 0.79 -2.65 0.00 0.00 0.00 175.10 173.80 1fk8 n PRO 211 N 2.91 0.91 0.04 2.72 -0.02 -1.26 -4.90 135.00 135.39 1fk8 n PRO 211 Ca -0.18 0.32 -0.12 0.00 -2.02 0.00 0.00 63.50 61.50 1fk8 n PRO 211 Cb 0.52 -1.64 -0.01 0.00 -0.02 0.00 0.00 33.50 32.35 1fk8 n PRO 211 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1fk8 h PRO 212 N 1.40 0.50 -6.54 0.52 0.13 -1.94 -3.45 132.00 122.62 1fk8 h PRO 212 Ca -0.39 -0.43 -0.52 0.00 -0.87 0.00 0.00 66.00 63.78 1fk8 h PRO 212 Cb 1.37 0.10 0.04 0.00 0.13 0.00 0.00 31.00 32.64 1fk8 h PRO 212 CO 0.57 1.07 1.08 1.41 -0.23 0.00 0.00 178.00 181.89 1fk8 s MET 213 N -3.58 4.14 0.00 0.86 1.75 -1.24 -2.46 119.30 118.77 1fk8 s MET 213 Ca -0.07 2.58 0.00 0.00 -1.25 0.00 0.00 55.69 56.95 1fk8 s MET 213 Cb 0.10 -3.48 0.00 0.00 2.84 0.00 0.00 34.83 34.28 1fk8 s MET 213 CO 0.86 -0.82 0.00 0.41 -0.65 0.00 0.00 175.02 174.83 1fk8 n GLY 214 N 4.16 0.75 3.17 2.11 0.00 -1.26 -5.05 105.19 109.06 1fk8 n GLY 214 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1fk8 n GLY 214 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1fk8 s ARG 215 N -0.48 0.98 0.53 1.61 1.70 -1.03 -5.16 118.95 117.10 1fk8 s ARG 215 Ca 0.00 -1.46 -0.04 0.00 -0.47 0.00 0.00 55.73 53.77 1fk8 s ARG 215 Cb 0.00 0.25 -0.00 0.00 -0.57 0.00 0.00 34.95 34.63 1fk8 s ARG 215 CO 0.00 -0.29 0.81 1.03 -1.08 0.00 0.00 175.30 175.77 1fk8 s ARG 216 N -4.06 3.07 0.16 3.89 0.52 -1.26 -4.95 118.95 116.31 1fk8 s ARG 216 Ca 0.26 -0.13 0.01 0.00 -0.52 0.00 0.00 55.73 55.35 1fk8 s ARG 216 Cb 0.07 -2.38 -0.04 0.00 0.52 0.00 0.00 34.95 33.12 1fk8 s ARG 216 CO 0.03 -0.48 0.33 0.00 0.02 0.00 0.00 175.30 175.20 1fk8 s ALA 217 N -2.81 3.91 0.32 2.13 0.00 -0.56 -4.80 121.76 119.95 1fk8 s ALA 217 Ca 0.51 -0.90 -0.19 0.00 0.00 0.00 0.00 51.96 51.38 1fk8 s ALA 217 Cb -0.10 -1.89 -0.09 0.00 0.00 0.00 0.00 23.12 21.03 1fk8 s ALA 217 CO 0.43 0.53 0.80 -1.21 0.00 0.00 0.00 175.76 176.31 1fk8 s GLU 218 N -3.17 4.17 0.56 0.00 0.41 -1.26 0.12 118.70 119.53 1fk8 s GLU 218 Ca 0.37 0.89 0.27 0.00 -0.41 0.00 0.00 54.97 56.08 1fk8 s GLU 218 Cb -0.11 -2.52 1.47 0.00 -1.78 0.00 0.00 34.13 31.19 1fk8 s GLU 218 CO 0.28 0.18 1.99 -1.35 -0.49 0.00 0.00 175.26 175.88 1fk8 h PRO 219 N 2.54 0.00 0.00 0.39 0.11 -1.92 -0.01 132.00 133.12 1fk8 h PRO 219 Ca -0.48 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1fk8 h PRO 219 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1fk8 h PRO 219 CO 0.64 0.00 -0.13 0.66 -0.21 0.00 0.00 178.00 178.96 1fk8 h SER 220 N 0.00 0.00 1.18 -2.05 4.64 -1.91 -1.28 113.55 114.13 1fk8 h SER 220 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1fk8 h SER 220 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1fk8 h SER 220 CO -0.00 0.13 0.00 -0.62 -0.87 0.00 0.00 176.83 175.47 1fk8 n GLU 221 N -3.73 0.25 -0.02 4.77 1.02 -0.02 -0.91 120.64 122.01 1fk8 n GLU 221 Ca -0.02 0.31 -0.22 0.00 -0.02 0.00 0.00 57.16 57.22 1fk8 n GLU 221 Cb 0.24 -1.85 -0.13 0.00 -0.02 0.00 0.00 31.44 29.68 1fk8 n GLU 221 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1fk8 h MET 222 N 0.00 0.21 -0.50 3.49 2.86 -1.34 -3.34 114.93 116.30 1fk8 h MET 222 Ca 0.00 -0.36 -0.00 0.00 -2.06 0.00 0.00 59.70 57.28 1fk8 h MET 222 Cb 0.59 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 1fk8 h MET 222 CO 0.00 1.17 0.30 0.00 1.06 0.00 0.00 176.91 179.44 1fk8 h ALA 223 N -0.08 1.58 0.00 6.32 0.00 -1.15 -1.60 119.26 124.32 1fk8 h ALA 223 Ca -0.38 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 1fk8 h ALA 223 Cb 1.82 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1fk8 h ALA 223 CO 0.02 0.37 -0.44 0.66 0.00 0.00 0.00 179.25 179.86 1fk8 h SER 224 N 0.69 0.00 0.16 0.00 4.64 -1.17 -0.72 113.55 117.14 1fk8 h SER 224 Ca 0.18 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.23 1fk8 h SER 224 Cb -0.02 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1fk8 h SER 224 CO -0.03 0.44 -1.11 0.58 -0.87 0.00 0.00 176.83 175.83 1fk8 h VAL 225 N 0.00 1.32 -0.56 0.95 2.07 -1.53 -2.83 116.25 115.66 1fk8 h VAL 225 Ca -0.00 -2.42 -0.01 0.00 0.82 0.00 0.00 66.70 65.09 1fk8 h VAL 225 Cb 0.79 2.54 -0.03 0.00 -1.52 0.00 0.00 31.29 33.07 1fk8 h VAL 225 CO 0.06 0.74 0.31 0.40 0.02 0.00 0.00 177.57 179.09 1fk8 h ILE 226 N 0.30 1.18 -0.98 4.57 2.04 -0.99 -0.83 117.51 122.80 1fk8 h ILE 226 Ca -0.14 -0.46 0.05 0.00 1.00 0.00 0.00 64.86 65.31 1fk8 h ILE 226 Cb 1.77 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 38.25 1fk8 h ILE 226 CO 0.21 0.20 0.63 0.00 0.00 0.00 0.00 178.15 179.19 1fk8 h ALA 227 N 1.14 1.33 -0.14 1.87 0.00 -1.15 0.55 119.26 122.86 1fk8 h ALA 227 Ca 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1fk8 h ALA 227 Cb 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1fk8 h ALA 227 CO -0.03 0.46 0.04 0.35 0.00 0.00 0.00 179.25 180.07 1fk8 h PHE 228 N 1.18 0.22 0.00 0.00 3.04 -1.14 -2.25 116.94 117.99 1fk8 h PHE 228 Ca 0.41 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.32 1fk8 h PHE 228 Cb 0.09 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 38.54 1fk8 h PHE 228 CO -0.01 0.36 -0.07 -0.07 -2.02 0.00 0.00 178.31 176.51 1fk8 h LEU 229 N 0.02 0.00 -0.76 0.59 3.38 -0.38 -1.31 115.31 116.85 1fk8 h LEU 229 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1fk8 h LEU 229 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1fk8 h LEU 229 CO 0.00 0.07 -0.13 0.23 0.09 0.00 0.00 178.44 178.69 1fk8 n MET 230 N -3.50 1.27 -3.90 1.13 2.81 0.11 -4.80 117.12 110.24 1fk8 n MET 230 Ca -0.02 -0.76 -0.22 0.00 -1.81 0.00 0.00 57.70 54.89 1fk8 n MET 230 Cb 0.20 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.18 1fk8 n MET 230 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1fk8 s SER 231 N -2.25 5.03 0.38 7.83 1.04 -0.49 -4.85 113.70 120.38 1fk8 s SER 231 Ca 0.31 -0.63 0.24 0.00 0.48 0.00 0.00 55.95 56.34 1fk8 s SER 231 Cb 0.20 -0.84 1.30 0.00 0.10 0.00 0.00 66.02 66.79 1fk8 s SER 231 CO 0.43 -0.36 1.72 -0.65 0.98 0.00 0.00 173.24 175.35 1fk8 h PRO 232 N 1.34 0.00 0.00 4.02 0.11 -1.91 -0.69 132.00 134.87 1fk8 h PRO 232 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1fk8 h PRO 232 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1fk8 h PRO 232 CO 0.60 0.00 -0.05 0.00 -0.21 0.00 0.00 178.00 178.34 1fk8 h ALA 233 N 1.86 1.06 -0.41 -0.75 0.00 -1.95 -1.65 119.26 117.41 1fk8 h ALA 233 Ca 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1fk8 h ALA 233 Cb 0.11 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1fk8 h ALA 233 CO 0.00 0.06 0.06 0.00 0.00 0.00 0.00 179.25 179.37 1fk8 n ALA 234 N -2.14 3.77 0.12 0.00 0.00 -0.26 -4.73 120.51 117.26 1fk8 n ALA 234 Ca -0.01 -2.55 0.19 0.00 0.00 0.00 0.00 53.44 51.07 1fk8 n ALA 234 Cb 0.26 -0.86 0.68 0.00 0.00 0.00 0.00 19.45 19.52 1fk8 n ALA 234 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1fk8 h SER 235 N 1.78 0.00 -0.22 0.00 4.64 -1.38 0.12 113.55 118.49 1fk8 h SER 235 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1fk8 h SER 235 Cb 1.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 1fk8 h SER 235 CO 0.41 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.37 1fk8 n TYR 236 N -3.38 0.34 -3.41 4.77 9.36 -1.26 -4.93 117.16 118.65 1fk8 n TYR 236 Ca 0.07 -0.56 -0.40 0.00 3.32 0.00 0.00 57.90 60.34 1fk8 n TYR 236 Cb 0.71 -0.07 -0.09 0.00 -0.63 0.00 0.00 39.34 39.26 1fk8 n TYR 236 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1fk8 s VAL 237 N -1.26 5.18 -0.18 2.97 1.01 0.41 -5.04 120.40 123.51 1fk8 s VAL 237 Ca 0.18 0.33 -0.14 0.00 0.00 0.00 0.00 61.98 62.36 1fk8 s VAL 237 Cb 0.11 -3.73 0.05 0.00 0.00 0.00 0.00 36.38 32.81 1fk8 s VAL 237 CO 0.10 0.07 0.45 -2.28 0.00 0.00 0.00 175.10 173.44 1fk8 s HIS 238 N 2.02 -0.56 0.00 5.22 5.04 -1.26 -4.71 115.29 121.04 1fk8 s HIS 238 Ca 0.13 1.28 0.00 0.00 -1.54 0.00 0.00 55.06 54.93 1fk8 s HIS 238 Cb -0.16 0.22 0.00 0.00 0.04 0.00 0.00 32.58 32.68 1fk8 s HIS 238 CO 0.11 -0.29 0.00 0.41 -2.34 0.00 0.00 174.74 172.63 1fk8 n GLY 239 N 3.36 0.43 3.90 1.59 0.00 0.70 -4.98 105.19 110.18 1fk8 n GLY 239 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 1fk8 n GLY 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fk8 s ALA 240 N -2.07 3.51 -0.29 4.61 0.00 -1.26 -4.77 121.76 121.50 1fk8 s ALA 240 Ca 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 1fk8 s ALA 240 Cb 0.00 -2.45 0.04 0.00 0.00 0.00 0.00 23.12 20.71 1fk8 s ALA 240 CO 0.00 0.08 -0.01 -1.14 0.00 0.00 0.00 175.76 174.70 1fk8 s GLN 241 N -3.81 2.55 -0.41 0.00 0.74 -1.26 -1.04 119.66 116.43 1fk8 s GLN 241 Ca 0.46 -1.18 -0.20 0.00 0.05 0.00 0.00 55.36 54.49 1fk8 s GLN 241 Cb -0.10 -3.15 0.02 0.00 1.10 0.00 0.00 33.01 30.87 1fk8 s GLN 241 CO 0.32 -0.56 0.61 0.42 -0.55 0.00 0.00 175.29 175.52 1fk8 s ILE 242 N 1.28 4.89 -0.10 -2.34 -1.09 -0.11 -4.89 121.20 118.84 1fk8 s ILE 242 Ca -0.04 0.19 -0.29 0.00 -2.23 0.00 0.00 60.65 58.28 1fk8 s ILE 242 Cb -0.19 -4.13 -0.01 0.00 -1.58 0.00 0.00 42.46 36.54 1fk8 s ILE 242 CO -0.02 -0.48 1.00 -0.69 -1.23 0.00 0.00 174.94 173.53 1fk8 s VAL 243 N 2.68 4.79 -0.53 2.92 1.01 -1.26 -0.02 120.40 130.00 1fk8 s VAL 243 Ca 0.21 2.03 0.04 0.00 0.00 0.00 0.00 61.98 64.26 1fk8 s VAL 243 Cb -0.15 -4.31 0.14 0.00 0.00 0.00 0.00 36.38 32.06 1fk8 s VAL 243 CO 0.17 0.01 0.30 -0.63 0.00 0.00 0.00 175.10 174.95 1fk8 s ILE 244 N 1.96 2.22 0.00 2.22 1.01 -0.63 -4.90 121.20 123.08 1fk8 s ILE 244 Ca 0.48 -3.25 0.03 0.00 0.00 0.00 0.00 60.65 57.91 1fk8 s ILE 244 Cb -0.18 -2.53 0.05 0.00 0.01 0.00 0.00 42.46 39.81 1fk8 s ILE 244 CO 0.18 -0.88 0.93 -0.90 0.00 0.00 0.00 174.94 174.28 1fk8 n ASP 245 N 3.02 0.09 -0.05 3.58 5.75 -1.26 -1.19 116.55 126.49 1fk8 n ASP 245 Ca 0.09 -1.83 -0.01 0.00 -0.01 0.00 0.00 54.79 53.04 1fk8 n ASP 245 Cb 0.34 -0.16 -0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1fk8 n ASP 245 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fk8 n GLY 246 N 0.06 0.21 0.00 6.12 0.00 -1.26 -2.88 105.19 107.44 1fk8 n GLY 246 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1fk8 n GLY 246 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fk8 n GLY 247 N -0.27 0.43 0.24 -0.02 0.00 -1.26 -3.71 105.19 100.59 1fk8 n GLY 247 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1fk8 n GLY 247 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1fk8 h ILE 248 N 0.00 0.92 -0.74 -0.61 1.08 -1.96 -2.14 117.51 114.07 1fk8 h ILE 248 Ca 0.00 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 1fk8 h ILE 248 Cb 0.00 0.28 -0.04 0.00 -3.07 0.00 0.00 36.82 34.00 1fk8 h ILE 248 CO 0.00 0.11 0.44 -0.78 -0.69 0.00 0.00 178.15 177.23 1fk8 h ASP 249 N 0.59 0.89 -0.54 1.72 3.58 -1.94 -1.91 116.42 118.80 1fk8 h ASP 249 Ca 0.29 -0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.59 1fk8 h ASP 249 Cb 0.22 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 1fk8 h ASP 249 CO -0.20 0.69 -0.00 0.00 -2.88 0.00 0.00 179.24 176.84 1fk8 h ALA 250 N 1.46 0.92 -0.53 -0.78 0.00 -1.69 0.20 119.26 118.84 1fk8 h ALA 250 Ca 0.27 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1fk8 h ALA 250 Cb -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1fk8 h ALA 250 CO -0.05 0.64 -0.09 0.28 0.00 0.00 0.00 179.25 180.04 1fk8 h VAL 251 N 0.91 1.27 -0.07 0.00 2.07 -1.06 -2.33 116.25 117.03 1fk8 h VAL 251 Ca 0.16 -1.24 -0.16 0.00 0.82 0.00 0.00 66.70 66.28 1fk8 h VAL 251 Cb 0.53 0.97 0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1fk8 h VAL 251 CO 0.03 0.44 -0.59 0.24 0.02 0.00 0.00 177.57 177.70 1fk8 h MET 252 N 0.88 0.53 -2.17 1.57 2.07 -1.17 -3.39 114.93 113.24 1fk8 h MET 252 Ca 0.14 -0.47 -0.57 0.00 -2.07 0.00 0.00 59.70 56.73 1fk8 h MET 252 Cb 0.65 0.11 -0.41 0.00 -1.87 0.00 0.00 31.60 30.08 1fk8 h MET 252 CO 0.04 1.10 -0.77 0.54 1.07 0.00 0.00 176.91 178.90 1fk8 n ARG 253 N -4.18 2.33 -0.03 1.72 1.74 0.68 -4.94 116.66 114.00 1fk8 n ARG 253 Ca -0.09 -4.36 0.07 0.00 -0.77 0.00 0.00 57.85 52.70 1fk8 n ARG 253 Cb 0.65 -2.03 0.45 0.00 -1.02 0.00 0.00 32.46 30.52 1fk8 n ARG 253 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1fk8 h PRO 254 N 3.51 0.49 -0.02 5.56 0.13 -1.62 -2.44 132.00 137.61 1fk8 h PRO 254 Ca 0.14 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1fk8 h PRO 254 Cb 0.67 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1fk8 h PRO 254 CO 0.73 0.32 -0.21 0.25 -0.23 0.00 0.00 178.00 178.86 1fk8 n THR 255 N -4.48 0.00 -3.93 1.56 -2.24 -1.26 -4.84 114.28 99.09 1fk8 n THR 255 Ca 0.06 -0.29 -0.35 0.00 -2.27 0.00 0.00 64.05 61.20 1fk8 n THR 255 Cb 0.17 0.96 -0.14 0.00 -2.10 0.00 0.00 70.33 69.22 1fk8 n THR 255 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1fk8 s GLN 256 N -2.27 3.31 0.00 -0.78 0.74 -0.92 -5.29 119.66 114.46 1fk8 s GLN 256 Ca 0.26 -0.66 0.00 0.00 0.05 0.00 0.00 55.36 55.01 1fk8 s GLN 256 Cb 0.19 -2.96 0.00 0.00 1.10 0.00 0.00 33.01 31.34 1fk8 s GLN 256 CO 0.44 -0.21 0.00 1.97 -0.55 0.00 0.00 175.29 176.94