#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fnt n ASP 1 N 0.00 0.63 -4.33 6.12 8.00 -1.26 -5.05 116.55 120.65 1fnt n ASP 1 Ca 0.00 -1.15 -0.34 0.00 0.71 0.00 0.00 54.79 54.00 1fnt n ASP 1 Cb 0.00 -0.02 -0.14 0.00 -0.02 0.00 0.00 41.12 40.94 1fnt n ASP 1 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1fnt s ILE 2 N 0.26 3.34 -0.17 0.53 1.01 -1.26 -4.75 121.20 120.15 1fnt s ILE 2 Ca 0.04 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 1fnt s ILE 2 Cb -0.00 -2.49 0.05 0.00 0.01 0.00 0.00 42.46 40.03 1fnt s ILE 2 CO 0.03 0.45 0.05 -0.63 0.00 0.00 0.00 174.94 174.84 1fnt s ILE 3 N 1.17 0.31 0.34 2.92 -1.09 -1.26 -2.03 121.20 121.55 1fnt s ILE 3 Ca 0.02 -0.33 0.08 0.00 -2.23 0.00 0.00 60.65 58.19 1fnt s ILE 3 Cb -0.14 -0.81 -0.07 0.00 -1.58 0.00 0.00 42.46 39.86 1fnt s ILE 3 CO -0.01 -0.16 -0.06 -0.76 -1.23 0.00 0.00 174.94 172.71 1fnt s LEU 4 N 1.96 2.69 -0.25 2.97 1.43 -0.31 -3.03 118.68 124.15 1fnt s LEU 4 Ca 0.01 -1.24 -0.27 0.00 -1.03 0.00 0.00 54.13 51.60 1fnt s LEU 4 Cb -0.16 -0.89 0.14 0.00 0.03 0.00 0.00 46.19 45.31 1fnt s LEU 4 CO -0.08 -0.30 1.09 -0.83 0.23 0.00 0.00 176.35 176.47 1fnt s GLY 5 N -3.59 -0.11 -0.16 -3.19 0.00 -0.97 -1.84 107.32 97.46 1fnt s GLY 5 Ca 0.33 2.60 -0.08 0.00 0.00 0.00 0.00 44.72 47.57 1fnt s GLY 5 CO 0.16 1.57 0.36 -1.50 0.00 0.00 0.00 173.10 173.69 1fnt s ILE 6 N -0.26 -0.12 -0.07 0.90 2.07 -0.05 -1.27 121.20 122.39 1fnt s ILE 6 Ca 0.02 0.13 -0.15 0.00 -1.41 0.00 0.00 60.65 59.24 1fnt s ILE 6 Cb -0.03 -0.55 -0.05 0.00 0.13 0.00 0.00 42.46 41.95 1fnt s ILE 6 CO -0.05 0.05 0.39 -0.60 -1.91 0.00 0.00 174.94 172.82 1fnt s ARG 7 N 1.57 4.10 0.00 3.50 3.52 0.14 -0.62 118.95 131.17 1fnt s ARG 7 Ca -0.08 0.33 0.00 0.00 -0.13 0.00 0.00 55.73 55.85 1fnt s ARG 7 Cb -0.09 -3.33 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 1fnt s ARG 7 CO -0.12 0.44 0.00 1.33 -0.81 0.00 0.00 175.30 176.14 1fnt n VAL 8 N 2.76 0.00 0.00 7.11 0.24 -0.64 -4.83 118.33 122.97 1fnt n VAL 8 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1fnt n VAL 8 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 1fnt n VAL 8 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1fnt n GLN 9 N 0.00 0.00 -2.06 7.34 -0.06 -1.10 -4.70 117.38 116.81 1fnt n GLN 9 Ca 0.00 0.00 -0.27 0.00 -2.00 0.00 0.00 57.00 54.73 1fnt n GLN 9 Cb 0.00 -0.08 0.02 0.00 -4.06 0.00 0.00 30.24 26.12 1fnt n GLN 9 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1fnt n ASP 10 N -0.11 5.41 -3.27 1.69 -0.08 -1.26 -4.65 116.55 114.27 1fnt n ASP 10 Ca 0.00 -3.75 -0.04 0.00 -1.51 0.00 0.00 54.79 49.49 1fnt n ASP 10 Cb 0.00 -0.51 0.02 0.00 2.34 0.00 0.00 41.12 42.97 1fnt n ASP 10 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1fnt s SER 11 N -3.18 0.02 0.01 1.67 1.04 -1.26 -4.20 113.70 107.79 1fnt s SER 11 Ca 0.52 -0.76 -0.02 0.00 0.48 0.00 0.00 55.95 56.16 1fnt s SER 11 Cb 0.42 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 67.09 1fnt s SER 11 CO -0.07 -1.10 0.03 -0.69 0.98 0.00 0.00 173.24 172.39 1fnt s VAL 12 N -2.11 0.09 -0.05 5.02 1.01 -0.62 -1.63 120.40 122.11 1fnt s VAL 12 Ca 0.22 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1fnt s VAL 12 Cb -0.03 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 36.07 1fnt s VAL 12 CO 0.06 -0.39 -0.12 -0.63 0.00 0.00 0.00 175.10 174.02 1fnt s ILE 13 N -1.21 1.11 -0.13 2.22 1.01 0.21 -1.99 121.20 122.42 1fnt s ILE 13 Ca -0.13 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.05 1fnt s ILE 13 Cb -0.08 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 41.41 1fnt s ILE 13 CO -0.00 0.34 -0.22 -0.76 0.00 0.00 0.00 174.94 174.30 1fnt s LEU 14 N 0.43 2.08 0.08 2.97 1.43 -0.20 -0.87 118.68 124.60 1fnt s LEU 14 Ca -0.10 -0.58 0.05 0.00 -1.03 0.00 0.00 54.13 52.47 1fnt s LEU 14 Cb -0.13 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 1fnt s LEU 14 CO 0.03 0.10 -0.01 0.00 0.23 0.00 0.00 176.35 176.70 1fnt s ALA 15 N 0.69 3.27 -0.30 4.21 0.00 -0.77 -1.69 121.76 127.17 1fnt s ALA 15 Ca -0.10 -1.11 -0.11 0.00 0.00 0.00 0.00 51.96 50.64 1fnt s ALA 15 Cb -0.16 -1.19 0.16 0.00 0.00 0.00 0.00 23.12 21.93 1fnt s ALA 15 CO 0.01 0.69 0.82 -1.54 0.00 0.00 0.00 175.76 175.75 1fnt s SER 16 N -2.22 -0.88 1.00 0.00 1.04 -1.04 -1.16 113.70 110.45 1fnt s SER 16 Ca 0.25 1.01 -0.15 0.00 0.48 0.00 0.00 55.95 57.54 1fnt s SER 16 Cb -0.12 1.92 0.05 0.00 0.10 0.00 0.00 66.02 67.97 1fnt s SER 16 CO 0.17 -0.17 0.24 -1.54 0.98 0.00 0.00 173.24 172.92 1fnt n SER 17 N 5.26 -2.31 -0.01 7.02 3.41 -0.86 -2.49 113.62 123.63 1fnt n SER 17 Ca -0.09 0.20 0.06 0.00 -0.26 0.00 0.00 58.87 58.78 1fnt n SER 17 Cb 0.51 -1.12 -0.11 0.00 -0.26 0.00 0.00 64.21 63.23 1fnt n SER 17 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1fnt n LYS 18 N -1.63 0.57 -1.93 4.33 5.02 -1.12 -4.63 118.16 118.77 1fnt n LYS 18 Ca 0.05 -0.12 -0.33 0.00 -2.02 0.00 0.00 58.31 55.88 1fnt n LYS 18 Cb 0.56 -1.35 0.03 0.00 -0.02 0.00 0.00 35.03 34.25 1fnt n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fnt s ALA 19 N -2.95 2.61 -0.06 7.82 0.00 -1.17 -1.74 121.76 126.26 1fnt s ALA 19 Ca -0.05 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.41 1fnt s ALA 19 Cb 0.09 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.95 1fnt s ALA 19 CO 0.61 -1.02 -0.05 0.08 0.00 0.00 0.00 175.76 175.37 1fnt s VAL 20 N -2.35 0.67 -0.03 0.00 1.01 -0.70 -4.96 120.40 114.05 1fnt s VAL 20 Ca 0.66 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.56 1fnt s VAL 20 Cb -0.19 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 1fnt s VAL 20 CO 0.38 0.27 -0.26 -0.89 0.00 0.00 0.00 175.10 174.60 1fnt s THR 21 N 1.17 2.05 -0.53 3.92 2.01 -1.26 -0.85 115.64 122.14 1fnt s THR 21 Ca -0.07 -1.10 0.04 0.00 0.31 0.00 0.00 61.69 60.87 1fnt s THR 21 Cb -0.14 -1.70 0.14 0.00 0.01 0.00 0.00 72.50 70.81 1fnt s THR 21 CO -0.01 0.58 0.31 -0.13 -0.69 0.00 0.00 174.62 174.67 1fnt s ARG 22 N -0.52 1.85 0.00 4.92 1.81 -1.03 -4.96 118.95 121.02 1fnt s ARG 22 Ca 0.07 -2.60 0.00 0.00 -1.72 0.00 0.00 55.73 51.49 1fnt s ARG 22 Cb -0.11 -3.00 0.00 0.00 -0.45 0.00 0.00 34.95 31.40 1fnt s ARG 22 CO -0.00 -1.17 0.00 0.41 -0.68 0.00 0.00 175.30 173.86 1fnt n GLY 23 N 2.96 -0.11 0.70 -3.53 0.00 -1.26 -3.38 105.19 100.57 1fnt n GLY 23 Ca 0.10 -0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 1fnt n GLY 23 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1fnt n ILE 24 N 0.00 1.33 -1.72 -0.61 3.06 -1.26 -5.05 119.36 115.11 1fnt n ILE 24 Ca 0.00 0.31 -0.30 0.00 -2.50 0.00 0.00 62.75 60.27 1fnt n ILE 24 Cb 0.00 -1.86 0.09 0.00 0.54 0.00 0.00 39.64 38.40 1fnt n ILE 24 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 1fnt s SER 25 N -5.96 4.59 -0.21 9.51 0.01 -1.22 -5.06 113.70 115.36 1fnt s SER 25 Ca -0.10 1.07 -0.02 0.00 1.31 0.00 0.00 55.95 58.21 1fnt s SER 25 Cb 0.01 -1.74 0.00 0.00 0.21 0.00 0.00 66.02 64.51 1fnt s SER 25 CO 0.15 -1.88 -0.10 -0.69 0.41 0.00 0.00 173.24 171.14 1fnt s VAL 26 N -3.33 2.89 0.00 3.43 1.01 -1.26 -2.46 120.40 120.67 1fnt s VAL 26 Ca 0.61 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1fnt s VAL 26 Cb -0.13 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1fnt s VAL 26 CO 0.52 0.44 0.00 0.18 0.00 0.00 0.00 175.10 176.24 1fnt n LEU 27 N 4.73 0.00 -4.46 3.92 4.32 -0.03 -4.92 117.00 120.56 1fnt n LEU 27 Ca -0.19 0.00 -0.37 0.00 -0.02 0.00 0.00 56.01 55.43 1fnt n LEU 27 Cb 0.50 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.36 1fnt n LEU 27 CO 0.28 0.00 0.05 1.17 -1.22 0.00 0.00 177.39 177.66 1fnt n LYS 28 N 0.00 0.36 -0.45 3.23 4.81 -1.26 -4.73 118.16 120.11 1fnt n LYS 28 Ca 0.00 0.16 0.01 0.00 -0.87 0.00 0.00 58.31 57.60 1fnt n LYS 28 Cb 0.00 -1.78 0.01 0.00 0.02 0.00 0.00 35.03 33.28 1fnt n LYS 28 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1fnt n ASP 29 N -0.00 0.15 -3.15 3.14 3.85 -1.26 -1.71 116.55 117.56 1fnt n ASP 29 Ca 0.10 -2.03 -0.20 0.00 -0.71 0.00 0.00 54.79 51.95 1fnt n ASP 29 Cb 0.49 -0.21 -0.04 0.00 -1.35 0.00 0.00 41.12 40.02 1fnt n ASP 29 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.20 175.95 1fnt n SER 30 N -0.09 0.19 -4.13 -1.12 2.88 -1.23 -4.39 113.62 105.73 1fnt n SER 30 Ca 0.01 -2.90 -0.33 0.00 -1.33 0.00 0.00 58.87 54.32 1fnt n SER 30 Cb 0.69 -0.40 -0.16 0.00 -0.75 0.00 0.00 64.21 63.59 1fnt n SER 30 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1fnt s ASP 31 N -1.74 3.17 -0.35 -3.46 2.15 -0.71 -5.07 116.67 110.66 1fnt s ASP 31 Ca 0.36 -0.64 -0.26 0.00 0.43 0.00 0.00 52.55 52.45 1fnt s ASP 31 Cb 0.25 -1.49 0.01 0.00 -0.30 0.00 0.00 42.92 41.40 1fnt s ASP 31 CO -0.10 0.00 0.93 -0.62 -0.17 0.00 0.00 175.17 175.22 1fnt s ASP 32 N 1.27 6.72 -0.37 -0.34 2.15 -1.26 -4.37 116.67 120.47 1fnt s ASP 32 Ca 0.04 0.68 -0.01 0.00 0.43 0.00 0.00 52.55 53.69 1fnt s ASP 32 Cb -0.13 -2.47 0.23 0.00 -0.30 0.00 0.00 42.92 40.24 1fnt s ASP 32 CO -0.12 -0.82 2.08 0.29 -0.17 0.00 0.00 175.17 176.43 1fnt n LYS 33 N 6.70 1.94 -4.60 4.34 4.76 -1.26 -4.90 118.16 125.14 1fnt n LYS 33 Ca 0.07 -1.81 -0.27 0.00 -2.87 0.00 0.00 58.31 53.44 1fnt n LYS 33 Cb 0.48 -1.73 -0.11 0.00 -1.84 0.00 0.00 35.03 31.83 1fnt n LYS 33 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1fnt s THR 34 N -2.55 1.97 -0.30 -0.18 2.01 -1.26 -2.40 115.64 112.93 1fnt s THR 34 Ca 0.37 -2.02 -0.06 0.00 0.31 0.00 0.00 61.69 60.29 1fnt s THR 34 Cb 0.28 -2.96 0.19 0.00 0.01 0.00 0.00 72.50 70.02 1fnt s THR 34 CO -0.02 -0.02 0.88 -0.60 -0.69 0.00 0.00 174.62 174.17 1fnt s ARG 35 N -3.71 0.30 -0.03 4.92 6.06 -1.06 -5.00 118.95 120.42 1fnt s ARG 35 Ca 0.35 0.34 -0.30 0.00 -2.50 0.00 0.00 55.73 53.62 1fnt s ARG 35 Cb 0.09 0.17 -0.06 0.00 0.06 0.00 0.00 34.95 35.21 1fnt s ARG 35 CO 0.18 -0.52 1.64 -1.14 -2.50 0.00 0.00 175.30 172.96 1fnt s GLN 36 N 2.91 4.19 -0.08 5.12 0.74 -1.26 -2.72 119.66 128.56 1fnt s GLN 36 Ca 0.18 2.20 -0.23 0.00 0.05 0.00 0.00 55.36 57.56 1fnt s GLN 36 Cb -0.06 -3.91 -0.29 0.00 1.10 0.00 0.00 33.01 29.85 1fnt s GLN 36 CO -0.22 -0.81 0.81 -0.07 -0.55 0.00 0.00 175.29 174.45 1fnt h LEU 37 N 9.87 0.35 -8.20 3.68 3.38 -1.79 -3.48 115.31 119.11 1fnt h LEU 37 Ca -0.40 -0.94 -0.13 0.00 0.09 0.00 0.00 57.88 56.51 1fnt h LEU 37 Cb 1.18 -0.11 -0.13 0.00 0.09 0.00 0.00 40.66 41.69 1fnt h LEU 37 CO 0.95 1.34 -0.40 -0.94 0.09 0.00 0.00 178.44 179.48 1fnt s SER 38 N -6.82 0.10 0.45 -0.43 1.04 -1.12 -4.44 113.70 102.47 1fnt s SER 38 Ca -0.16 -0.98 0.34 0.00 0.48 0.00 0.00 55.95 55.63 1fnt s SER 38 Cb 0.01 0.41 1.50 0.00 0.10 0.00 0.00 66.02 68.04 1fnt s SER 38 CO 0.79 -0.87 1.53 -0.81 0.98 0.00 0.00 173.24 174.86 1fnt n PRO 39 N -0.20 -0.03 -0.01 4.02 -0.04 -1.26 -0.78 135.00 136.69 1fnt n PRO 39 Ca -0.06 1.21 0.01 0.00 -0.04 0.00 0.00 63.50 64.62 1fnt n PRO 39 Cb 0.63 -2.43 0.01 0.00 -0.04 0.00 0.00 33.50 31.67 1fnt n PRO 39 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1fnt n HIS 40 N -4.58 0.02 -4.46 0.54 8.25 -1.26 -3.80 115.22 109.93 1fnt n HIS 40 Ca 0.40 -0.16 -0.30 0.00 -0.26 0.00 0.00 57.72 57.41 1fnt n HIS 40 Cb 1.60 -0.01 -0.12 0.00 1.12 0.00 0.00 29.99 32.58 1fnt n HIS 40 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1fnt s THR 41 N -0.42 2.83 -0.03 1.59 2.01 0.04 -2.22 115.64 119.44 1fnt s THR 41 Ca 0.03 -1.36 -0.16 0.00 0.31 0.00 0.00 61.69 60.51 1fnt s THR 41 Cb 0.02 -2.25 0.03 0.00 0.01 0.00 0.00 72.50 70.31 1fnt s THR 41 CO 0.02 0.21 0.35 -0.22 -0.69 0.00 0.00 174.62 174.29 1fnt s LEU 42 N -1.83 0.68 -0.07 4.42 2.96 0.80 -2.22 118.68 123.42 1fnt s LEU 42 Ca 0.16 0.22 -0.03 0.00 -0.22 0.00 0.00 54.13 54.27 1fnt s LEU 42 Cb -0.11 1.39 0.04 0.00 0.50 0.00 0.00 46.19 48.02 1fnt s LEU 42 CO 0.08 -0.43 0.10 -0.32 -1.32 0.00 0.00 176.35 174.46 1fnt s MET 43 N -1.15 -0.02 0.33 1.98 -2.45 -1.10 -0.82 119.30 116.07 1fnt s MET 43 Ca -0.12 0.39 -0.03 0.00 -1.25 0.00 0.00 55.69 54.68 1fnt s MET 43 Cb -0.04 -0.59 -0.04 0.00 1.25 0.00 0.00 34.83 35.41 1fnt s MET 43 CO 0.04 -0.37 0.58 -1.54 1.05 0.00 0.00 175.02 174.78 1fnt s SER 44 N 2.22 6.36 0.09 1.11 1.04 -0.84 -2.58 113.70 121.10 1fnt s SER 44 Ca 0.04 0.63 -0.25 0.00 0.48 0.00 0.00 55.95 56.85 1fnt s SER 44 Cb -0.13 -2.11 0.07 0.00 0.10 0.00 0.00 66.02 63.95 1fnt s SER 44 CO -0.05 -0.28 0.60 0.72 0.98 0.00 0.00 173.24 175.21 1fnt s PHE 45 N -2.26 -0.54 -0.15 5.02 -0.12 -1.01 -2.14 117.98 116.78 1fnt s PHE 45 Ca 0.43 0.54 -0.14 0.00 -0.05 0.00 0.00 56.93 57.70 1fnt s PHE 45 Cb -0.10 0.48 0.04 0.00 -0.63 0.00 0.00 43.02 42.81 1fnt s PHE 45 CO 0.34 -0.76 0.41 0.00 -0.05 0.00 0.00 175.22 175.16 1fnt s ALA 46 N -2.93 -1.00 0.00 1.99 0.00 -1.05 -4.87 121.76 113.90 1fnt s ALA 46 Ca -0.03 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1fnt s ALA 46 Cb -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.44 1fnt s ALA 46 CO -0.06 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1fnt n GLY 47 N 2.90 -0.62 3.77 0.00 0.00 -1.26 -0.78 105.19 109.19 1fnt n GLY 47 Ca -0.13 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 1fnt n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1fnt s GLU 48 N -0.38 4.11 0.10 1.61 2.56 -0.25 -4.79 118.70 121.66 1fnt s GLU 48 Ca 0.00 2.57 -0.19 0.00 0.00 0.00 0.00 54.97 57.35 1fnt s GLU 48 Cb 0.00 -2.99 -0.04 0.00 2.00 0.00 0.00 34.13 33.10 1fnt s GLU 48 CO 0.00 -0.57 1.07 0.00 -0.56 0.00 0.00 175.26 175.20 1fnt n ALA 49 N 1.10 -0.40 -0.04 6.30 0.00 -1.26 -1.18 120.51 125.03 1fnt n ALA 49 Ca 0.04 0.53 -0.15 0.00 0.00 0.00 0.00 53.44 53.86 1fnt n ALA 49 Cb 0.39 -0.04 -0.13 0.00 0.00 0.00 0.00 19.45 19.67 1fnt n ALA 49 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1fnt h GLY 50 N 0.00 0.10 -0.79 0.00 0.00 -1.97 -3.36 103.07 97.04 1fnt h GLY 50 Ca 0.10 -0.23 0.29 0.00 0.00 0.00 0.00 47.33 47.49 1fnt h GLY 50 CO -0.59 0.20 0.22 -0.55 0.00 0.00 0.00 176.54 175.82 1fnt h ASP 51 N -0.80 -0.12 0.00 0.19 3.32 -1.84 -3.12 116.42 114.05 1fnt h ASP 51 Ca -0.03 0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1fnt h ASP 51 Cb 1.13 0.36 0.00 0.00 0.22 0.00 0.00 39.33 41.04 1fnt h ASP 51 CO 0.04 -0.30 0.00 1.07 -1.72 0.00 0.00 179.24 178.33 1fnt n THR 52 N -5.34 0.00 0.27 0.35 5.66 -0.32 -2.81 114.28 112.08 1fnt n THR 52 Ca 0.26 1.09 0.17 0.00 -3.05 0.00 0.00 64.05 62.53 1fnt n THR 52 Cb 0.86 -1.90 0.92 0.00 -1.55 0.00 0.00 70.33 68.66 1fnt n THR 52 CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 175.07 171.65 1fnt h VAL 53 N 0.00 0.36 0.37 1.08 -1.51 -1.75 -2.87 116.25 111.92 1fnt h VAL 53 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.45 1fnt h VAL 53 Cb 0.00 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 30.06 1fnt h VAL 53 CO 0.00 0.00 -0.18 1.56 -1.23 0.00 0.00 177.57 177.72 1fnt h GLN 54 N 0.00 -0.48 -0.66 5.19 1.08 -1.57 -3.24 115.11 115.44 1fnt h GLN 54 Ca 0.04 0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.40 1fnt h GLN 54 Cb 0.29 0.11 -0.13 0.00 -0.05 0.00 0.00 27.48 27.70 1fnt h GLN 54 CO -0.00 -0.32 -0.19 0.35 -0.95 0.00 0.00 178.83 177.73 1fnt h PHE 55 N -1.00 -0.42 -0.06 2.96 3.57 -1.38 -1.16 116.94 119.45 1fnt h PHE 55 Ca -0.05 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1fnt h PHE 55 Cb 0.38 0.29 -0.06 0.00 2.79 0.00 0.00 35.95 39.35 1fnt h PHE 55 CO 0.01 -0.30 -0.39 0.00 -2.23 0.00 0.00 178.31 175.40 1fnt h ALA 56 N 1.59 -0.57 -0.52 2.41 0.00 -1.64 0.22 119.26 120.75 1fnt h ALA 56 Ca 0.31 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.24 1fnt h ALA 56 Cb 0.50 0.71 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1fnt h ALA 56 CO -0.69 -0.90 0.27 0.93 0.00 0.00 0.00 179.25 178.86 1fnt h GLU 57 N -0.51 0.52 -0.29 0.00 5.08 -1.46 0.12 114.58 118.03 1fnt h GLU 57 Ca 0.07 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1fnt h GLU 57 Cb 0.62 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 1fnt h GLU 57 CO -0.34 0.34 -0.02 -0.92 -1.00 0.00 0.00 179.01 177.07 1fnt h TYR 58 N 0.53 -0.05 0.27 4.33 3.20 -0.43 0.45 116.97 125.27 1fnt h TYR 58 Ca 0.23 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 1fnt h TYR 58 Cb 0.11 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1fnt h TYR 58 CO -0.09 -0.07 -0.22 0.82 -1.64 0.00 0.00 178.16 176.95 1fnt h ILE 59 N 0.06 0.53 -0.65 1.81 1.08 -0.18 -2.87 117.51 117.28 1fnt h ILE 59 Ca 0.14 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.71 1fnt h ILE 59 Cb 0.20 0.53 -0.11 0.00 -3.07 0.00 0.00 36.82 34.36 1fnt h ILE 59 CO -0.25 0.00 -0.44 -0.61 -0.69 0.00 0.00 178.15 176.16 1fnt h GLN 60 N -0.51 -0.18 -0.50 2.37 4.15 0.20 -2.06 115.11 118.59 1fnt h GLN 60 Ca -0.02 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.47 1fnt h GLN 60 Cb 0.45 0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.11 1fnt h GLN 60 CO -0.02 -0.12 -0.40 0.00 -1.93 0.00 0.00 178.83 176.36 1fnt h ALA 61 N 0.69 -0.51 -0.68 3.38 0.00 0.03 -0.98 119.26 121.19 1fnt h ALA 61 Ca 0.20 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.28 1fnt h ALA 61 Cb 0.56 1.14 -0.13 0.00 0.00 0.00 0.00 17.79 19.35 1fnt h ALA 61 CO -0.74 -0.75 -0.22 -0.91 0.00 0.00 0.00 179.25 176.64 1fnt h ASN 62 N -0.14 -0.79 0.46 0.00 4.21 -1.17 -1.81 115.58 116.34 1fnt h ASN 62 Ca 0.08 0.22 -0.02 0.00 1.21 0.00 0.00 56.30 57.79 1fnt h ASN 62 Cb 0.35 0.48 -0.01 0.00 -1.12 0.00 0.00 38.32 38.01 1fnt h ASN 62 CO -0.54 -0.25 -0.38 0.40 -1.29 0.00 0.00 177.43 175.36 1fnt h ILE 63 N -0.04 0.00 -1.02 2.81 1.08 -0.78 -0.34 117.51 119.23 1fnt h ILE 63 Ca 0.32 0.00 0.28 0.00 -0.39 0.00 0.00 64.86 65.06 1fnt h ILE 63 Cb 0.53 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.15 1fnt h ILE 63 CO -0.72 0.00 0.61 1.56 -0.69 0.00 0.00 178.15 178.90 1fnt h GLN 64 N -0.82 0.46 0.63 2.37 4.20 -1.11 0.18 115.11 121.02 1fnt h GLN 64 Ca -0.06 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1fnt h GLN 64 Cb 0.69 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1fnt h GLN 64 CO -0.00 0.30 -0.46 1.25 -0.67 0.00 0.00 178.83 179.25 1fnt h LEU 65 N 0.47 -1.21 -0.59 1.46 5.85 -0.74 -1.63 115.31 118.92 1fnt h LEU 65 Ca 0.67 0.08 0.10 0.00 0.84 0.00 0.00 57.88 59.57 1fnt h LEU 65 Cb 1.43 0.37 -0.08 0.00 0.37 0.00 0.00 40.66 42.76 1fnt h LEU 65 CO -0.49 -0.68 0.18 0.22 -0.34 0.00 0.00 178.44 177.34 1fnt h TYR 66 N -1.06 0.31 0.00 1.25 5.03 0.91 -1.57 116.97 121.84 1fnt h TYR 66 Ca -0.08 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.25 1fnt h TYR 66 Cb 0.88 -0.05 -0.00 0.00 1.55 0.00 0.00 36.73 39.11 1fnt h TYR 66 CO -0.16 0.04 -0.07 0.77 -1.32 0.00 0.00 178.16 177.43 1fnt h SER 67 N 0.34 0.00 0.18 -2.11 0.02 0.02 0.06 113.55 112.06 1fnt h SER 67 Ca 0.30 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.91 1fnt h SER 67 Cb 0.40 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.88 1fnt h SER 67 CO -0.34 0.07 -2.14 2.30 -1.14 0.00 0.00 176.83 175.58 1fnt n ILE 68 N -3.95 1.47 0.22 3.27 -6.64 -0.69 -2.12 119.36 110.92 1fnt n ILE 68 Ca -0.03 -0.84 -0.15 0.00 -1.77 0.00 0.00 62.75 59.97 1fnt n ILE 68 Cb 0.16 -0.68 -0.07 0.00 -1.44 0.00 0.00 39.64 37.61 1fnt n ILE 68 CO 0.00 0.00 0.00 -0.09 -1.77 0.00 0.00 176.55 174.69 1fnt h ARG 69 N 0.00 -0.56 0.03 6.28 2.43 -0.91 -3.03 114.38 118.62 1fnt h ARG 69 Ca -0.45 0.04 -0.22 0.00 -0.81 0.00 0.00 59.98 58.54 1fnt h ARG 69 Cb 2.16 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 31.82 1fnt h ARG 69 CO 0.05 -0.37 -1.00 0.93 -1.51 0.00 0.00 179.97 178.06 1fnt h GLU 70 N -0.58 0.12 0.00 0.20 4.39 -1.19 -3.47 114.58 114.06 1fnt h GLU 70 Ca -0.03 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1fnt h GLU 70 Cb 0.49 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1fnt h GLU 70 CO 0.02 1.02 0.00 -3.47 -1.16 0.00 0.00 179.01 175.42 1fnt n ASP 71 N -3.51 0.00 -4.83 1.42 2.03 -0.90 -4.98 116.55 105.78 1fnt n ASP 71 Ca -0.03 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.94 1fnt n ASP 71 Cb 0.90 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 41.24 1fnt n ASP 71 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1fnt s TYR 72 N -2.60 3.42 0.47 -0.67 5.04 -1.25 -4.93 117.35 116.84 1fnt s TYR 72 Ca 0.00 0.33 -0.15 0.00 -2.44 0.00 0.00 57.07 54.80 1fnt s TYR 72 Cb 0.00 -1.82 -0.08 0.00 0.35 0.00 0.00 41.96 40.41 1fnt s TYR 72 CO 0.00 0.62 0.92 -2.00 -1.34 0.00 0.00 175.55 173.74 1fnt s GLU 73 N -1.53 3.94 -0.01 4.97 2.12 -1.26 -4.47 118.70 122.45 1fnt s GLU 73 Ca 0.21 0.84 -0.12 0.00 0.36 0.00 0.00 54.97 56.26 1fnt s GLU 73 Cb -0.12 -2.22 -0.05 0.00 0.26 0.00 0.00 34.13 32.00 1fnt s GLU 73 CO 0.12 -0.17 0.35 -1.17 -0.54 0.00 0.00 175.26 173.85 1fnt s LEU 74 N -3.88 4.44 0.08 2.70 1.98 -1.26 -5.07 118.68 117.66 1fnt s LEU 74 Ca 0.57 0.84 -0.30 0.00 -2.89 0.00 0.00 54.13 52.34 1fnt s LEU 74 Cb -0.10 -2.54 -0.05 0.00 0.66 0.00 0.00 46.19 44.16 1fnt s LEU 74 CO 0.29 0.32 1.05 -0.94 -1.89 0.00 0.00 176.35 175.18 1fnt s SER 75 N -1.18 7.31 0.21 3.68 1.04 -1.26 -4.85 113.70 118.66 1fnt s SER 75 Ca 0.23 1.86 0.03 0.00 0.48 0.00 0.00 55.95 58.56 1fnt s SER 75 Cb -0.15 -2.58 0.57 0.00 0.10 0.00 0.00 66.02 63.95 1fnt s SER 75 CO 0.12 -0.26 1.05 -2.65 0.98 0.00 0.00 173.24 172.49 1fnt n PRO 76 N 3.35 -0.05 0.07 4.02 -0.02 -1.26 0.11 135.00 141.21 1fnt n PRO 76 Ca 0.05 1.00 -0.04 0.00 -2.02 0.00 0.00 63.50 62.49 1fnt n PRO 76 Cb 0.48 -1.61 -0.02 0.00 -0.02 0.00 0.00 33.50 32.33 1fnt n PRO 76 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1fnt h GLN 77 N 0.00 -0.23 -0.97 -0.52 -0.00 -1.97 -1.52 115.11 109.90 1fnt h GLN 77 Ca 0.43 0.02 0.12 0.00 -0.00 0.00 0.00 58.65 59.22 1fnt h GLN 77 Cb 0.93 0.05 -0.09 0.00 0.00 0.00 0.00 27.48 28.38 1fnt h GLN 77 CO -0.62 -0.15 0.60 0.00 0.00 0.00 0.00 178.83 178.66 1fnt h ALA 78 N -1.52 1.47 0.44 3.38 0.00 0.34 -1.73 119.26 121.64 1fnt h ALA 78 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1fnt h ALA 78 Cb 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1fnt h ALA 78 CO -0.02 0.18 -0.42 0.28 0.00 0.00 0.00 179.25 179.27 1fnt h VAL 79 N 0.94 0.00 -0.44 0.00 2.07 -0.93 -0.82 116.25 117.07 1fnt h VAL 79 Ca 0.49 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.14 1fnt h VAL 79 Cb 0.51 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1fnt h VAL 79 CO -0.28 0.00 0.39 0.77 0.02 0.00 0.00 177.57 178.47 1fnt h SER 80 N -0.85 0.00 -0.19 0.57 4.64 -1.00 0.16 113.55 116.88 1fnt h SER 80 Ca -0.06 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 1fnt h SER 80 Cb 0.73 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 1fnt h SER 80 CO -0.03 0.00 0.03 0.28 -0.87 0.00 0.00 176.83 176.23 1fnt h SER 81 N 0.00 0.31 -0.31 4.97 0.02 -0.27 -2.12 113.55 116.14 1fnt h SER 81 Ca 0.21 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1fnt h SER 81 Cb 0.98 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 1fnt h SER 81 CO -0.00 0.49 0.17 0.15 -1.14 0.00 0.00 176.83 176.50 1fnt h PHE 82 N 0.11 0.43 -0.44 3.45 3.57 0.35 -1.37 116.94 123.03 1fnt h PHE 82 Ca 0.06 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.61 1fnt h PHE 82 Cb 0.32 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.87 1fnt h PHE 82 CO 0.02 0.35 0.10 0.28 -2.23 0.00 0.00 178.31 176.83 1fnt h VAL 83 N 0.38 0.78 -0.77 1.41 2.07 -1.16 -0.86 116.25 118.09 1fnt h VAL 83 Ca 0.11 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1fnt h VAL 83 Cb 0.07 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1fnt h VAL 83 CO -0.02 0.04 0.51 -0.09 0.02 0.00 0.00 177.57 178.04 1fnt h ARG 84 N 0.24 0.97 0.36 1.57 2.43 -0.98 -1.54 114.38 117.42 1fnt h ARG 84 Ca 0.21 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1fnt h ARG 84 Cb 0.26 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1fnt h ARG 84 CO -0.27 0.64 -0.35 0.37 -1.51 0.00 0.00 179.97 178.85 1fnt h GLN 85 N 1.00 -0.68 -0.84 0.20 5.75 -0.08 0.32 115.11 120.76 1fnt h GLN 85 Ca 0.30 0.05 0.19 0.00 -0.15 0.00 0.00 58.65 59.03 1fnt h GLN 85 Cb -0.03 0.16 -0.11 0.00 1.07 0.00 0.00 27.48 28.56 1fnt h GLN 85 CO -0.08 -0.46 0.35 0.93 -2.65 0.00 0.00 178.83 176.92 1fnt h GLU 86 N -0.71 0.40 -0.28 1.69 4.39 -0.50 0.18 114.58 119.75 1fnt h GLU 86 Ca -0.05 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.49 1fnt h GLU 86 Cb 0.61 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1fnt h GLU 86 CO -0.04 0.27 -0.40 -0.07 -1.16 0.00 0.00 179.01 177.61 1fnt h LEU 87 N 0.42 0.73 -0.77 1.33 3.38 -1.21 -0.10 115.31 119.08 1fnt h LEU 87 Ca 0.50 -0.33 0.11 0.00 0.09 0.00 0.00 57.88 58.25 1fnt h LEU 87 Cb 0.88 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.34 1fnt h LEU 87 CO -0.48 1.04 0.39 0.00 0.09 0.00 0.00 178.44 179.48 1fnt h ALA 88 N 0.99 1.11 -0.07 1.53 0.00 0.16 0.11 119.26 123.09 1fnt h ALA 88 Ca 0.05 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1fnt h ALA 88 Cb 0.94 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1fnt h ALA 88 CO 0.08 -0.05 -0.49 0.87 0.00 0.00 0.00 179.25 179.66 1fnt h LYS 89 N 0.62 0.46 -0.88 0.00 1.79 -1.22 -3.23 116.57 114.11 1fnt h LYS 89 Ca 0.40 -0.40 0.21 0.00 -2.18 0.00 0.00 60.65 58.68 1fnt h LYS 89 Cb 0.48 0.09 -0.12 0.00 -1.58 0.00 0.00 32.23 31.10 1fnt h LYS 89 CO -0.31 1.04 0.38 1.03 -1.08 0.00 0.00 179.45 180.51 1fnt h SER 90 N 0.02 0.33 0.18 0.86 0.87 0.08 -1.19 113.55 114.70 1fnt h SER 90 Ca -0.04 0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1fnt h SER 90 Cb 1.15 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 1fnt h SER 90 CO 0.10 0.02 -0.18 -0.29 -0.53 0.00 0.00 176.83 175.95 1fnt h ILE 91 N 0.41 1.10 -0.48 2.23 6.09 -0.84 -2.14 117.51 123.89 1fnt h ILE 91 Ca 0.54 -0.61 0.00 0.00 -1.37 0.00 0.00 64.86 63.43 1fnt h ILE 91 Cb 1.00 1.33 0.00 0.00 0.47 0.00 0.00 36.82 39.62 1fnt h ILE 91 CO -0.51 0.17 0.00 0.54 -3.07 0.00 0.00 178.15 175.28 1fnt n ARG 92 N -4.30 3.63 -2.17 2.19 1.74 -0.50 -4.80 116.66 112.46 1fnt n ARG 92 Ca -0.02 -2.82 -0.28 0.00 -0.77 0.00 0.00 57.85 53.95 1fnt n ARG 92 Cb 0.24 -1.87 0.03 0.00 -1.02 0.00 0.00 32.46 29.84 1fnt n ARG 92 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1fnt s SER 93 N -1.19 5.67 0.65 0.55 1.04 -0.80 -4.92 113.70 114.70 1fnt s SER 93 Ca 0.46 0.97 0.30 0.00 0.48 0.00 0.00 55.95 58.16 1fnt s SER 93 Cb 0.32 -1.93 1.65 0.00 0.10 0.00 0.00 66.02 66.17 1fnt s SER 93 CO 0.17 -1.10 1.95 0.03 0.98 0.00 0.00 173.24 175.27 1fnt h ARG 94 N -0.33 0.00 -0.97 4.02 3.08 -1.92 -3.35 114.38 114.90 1fnt h ARG 94 Ca -0.45 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.69 1fnt h ARG 94 Cb 1.24 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 31.08 1fnt h ARG 94 CO 0.62 0.00 -0.27 1.03 -1.07 0.00 0.00 179.97 180.28 1fnt s ARG 95 N -4.18 0.55 0.26 0.04 1.81 -1.26 -5.16 118.95 111.01 1fnt s ARG 95 Ca -0.04 0.91 -0.29 0.00 -1.72 0.00 0.00 55.73 54.59 1fnt s ARG 95 Cb 0.10 0.50 -0.09 0.00 -0.45 0.00 0.00 34.95 35.00 1fnt s ARG 95 CO 0.32 -0.67 0.98 -2.14 -0.68 0.00 0.00 175.30 173.12 1fnt s PRO 96 N 2.86 4.76 -0.55 3.54 0.02 -1.24 -4.96 135.00 139.43 1fnt s PRO 96 Ca 0.19 1.55 -0.28 0.00 0.02 0.00 0.00 61.00 62.47 1fnt s PRO 96 Cb -0.14 -3.19 0.02 0.00 0.02 0.00 0.00 34.50 31.21 1fnt s PRO 96 CO -0.21 0.41 1.34 0.71 -0.33 0.00 0.00 177.00 178.91 1fnt s TYR 97 N -1.24 2.40 -0.78 6.54 2.02 -1.26 -4.95 117.35 120.09 1fnt s TYR 97 Ca 0.43 0.47 -0.26 0.00 -0.37 0.00 0.00 57.07 57.34 1fnt s TYR 97 Cb -0.26 -4.43 0.03 0.00 -0.40 0.00 0.00 41.96 36.90 1fnt s TYR 97 CO 0.33 -1.85 1.34 -0.65 -1.57 0.00 0.00 175.55 173.15 1fnt s GLN 98 N 5.27 3.21 -0.16 -0.62 -0.21 -1.26 -4.93 119.66 120.96 1fnt s GLN 98 Ca 0.50 -0.33 -0.12 0.00 0.02 0.00 0.00 55.36 55.43 1fnt s GLN 98 Cb -0.10 -4.37 0.05 0.00 1.00 0.00 0.00 33.01 29.59 1fnt s GLN 98 CO 0.26 -2.20 0.41 0.08 -2.12 0.00 0.00 175.29 171.72 1fnt s VAL 99 N 5.84 -0.01 0.18 1.09 1.01 -1.26 -1.09 120.40 126.16 1fnt s VAL 99 Ca 0.39 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.47 1fnt s VAL 99 Cb -0.07 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1fnt s VAL 99 CO 0.11 0.02 0.09 0.20 0.00 0.00 0.00 175.10 175.52 1fnt s ASN 100 N 0.77 5.23 0.16 3.32 0.01 0.04 -2.76 114.94 121.72 1fnt s ASN 100 Ca -0.04 -0.25 -0.13 0.00 -0.71 0.00 0.00 52.86 51.72 1fnt s ASN 100 Cb -0.05 -1.27 0.01 0.00 0.41 0.00 0.00 41.25 40.34 1fnt s ASN 100 CO -0.06 0.06 0.37 0.68 -1.51 0.00 0.00 177.10 176.64 1fnt s VAL 101 N -1.81 0.06 -0.03 1.60 -7.23 -0.10 -2.53 120.40 110.35 1fnt s VAL 101 Ca 0.30 -1.04 0.04 0.00 -1.81 0.00 0.00 61.98 59.47 1fnt s VAL 101 Cb -0.09 -1.60 -0.00 0.00 0.56 0.00 0.00 36.38 35.25 1fnt s VAL 101 CO 0.22 -0.28 -0.15 -0.76 -0.31 0.00 0.00 175.10 173.81 1fnt s LEU 102 N -2.90 1.91 -0.16 1.32 1.43 -0.91 -0.16 118.68 119.21 1fnt s LEU 102 Ca 0.11 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1fnt s LEU 102 Cb 0.02 -0.87 0.03 0.00 0.03 0.00 0.00 46.19 45.41 1fnt s LEU 102 CO -0.04 0.14 -0.10 -0.63 0.23 0.00 0.00 176.35 175.96 1fnt s ILE 103 N 0.00 1.38 -0.13 -0.59 1.01 0.64 -1.99 121.20 121.52 1fnt s ILE 103 Ca -0.02 -0.69 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 1fnt s ILE 103 Cb -0.10 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 1fnt s ILE 103 CO 0.01 0.27 -0.09 -0.83 0.00 0.00 0.00 174.94 174.30 1fnt s GLY 104 N 1.53 1.61 0.19 6.18 0.00 -0.00 -1.19 107.32 115.64 1fnt s GLY 104 Ca 0.02 -0.87 -0.14 0.00 0.00 0.00 0.00 44.72 43.74 1fnt s GLY 104 CO -0.09 -0.20 0.42 -0.32 0.00 0.00 0.00 173.10 172.92 1fnt s GLY 105 N 0.25 0.21 -0.33 0.20 0.00 -1.07 -0.14 107.32 106.44 1fnt s GLY 105 Ca -0.07 -0.57 0.01 0.00 0.00 0.00 0.00 44.72 44.09 1fnt s GLY 105 CO 0.04 -0.53 0.03 -0.47 0.00 0.00 0.00 173.10 172.17 1fnt s TYR 106 N -3.93 3.48 -0.46 1.90 6.14 -0.94 -1.77 117.35 121.77 1fnt s TYR 106 Ca 0.14 -2.42 -0.28 0.00 0.64 0.00 0.00 57.07 55.15 1fnt s TYR 106 Cb 0.01 -2.54 -0.00 0.00 0.42 0.00 0.00 41.96 39.84 1fnt s TYR 106 CO -0.00 -0.90 1.62 0.34 0.64 0.00 0.00 175.55 177.25 1fnt s ASP 107 N 1.24 5.94 0.37 4.32 -1.08 -0.31 -4.87 116.67 122.29 1fnt s ASP 107 Ca 0.01 0.76 0.07 0.00 -0.52 0.00 0.00 52.55 52.88 1fnt s ASP 107 Cb -0.20 -2.53 0.74 0.00 -1.46 0.00 0.00 42.92 39.46 1fnt s ASP 107 CO -0.05 -1.76 1.92 0.11 0.52 0.00 0.00 175.17 175.91 1fnt h LYS 108 N 12.29 0.38 -0.28 4.34 1.79 -1.95 0.19 116.57 133.32 1fnt h LYS 108 Ca -0.29 -0.07 -0.09 0.00 -2.18 0.00 0.00 60.65 58.02 1fnt h LYS 108 Cb 1.13 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.72 1fnt h LYS 108 CO 1.11 0.43 -0.16 0.87 -1.08 0.00 0.00 179.45 180.63 1fnt h LYS 109 N 0.37 0.60 0.00 3.15 6.56 -1.95 -2.99 116.57 122.31 1fnt h LYS 109 Ca 0.08 -0.27 0.00 0.00 -1.06 0.00 0.00 60.65 59.40 1fnt h LYS 109 Cb 0.29 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.94 1fnt h LYS 109 CO 0.01 0.85 -0.16 0.87 -2.06 0.00 0.00 179.45 178.96 1fnt h LYS 110 N 0.33 0.00 -3.22 3.15 6.56 -1.95 -3.47 116.57 117.98 1fnt h LYS 110 Ca 0.06 0.00 -0.41 0.00 -1.06 0.00 0.00 60.65 59.24 1fnt h LYS 110 Cb 0.69 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.34 1fnt h LYS 110 CO 0.05 0.00 -0.54 0.09 -2.06 0.00 0.00 179.45 176.98 1fnt n ASN 111 N -2.38 -5.88 -4.06 0.86 3.02 0.62 -4.99 115.26 102.45 1fnt n ASN 111 Ca 0.05 -0.07 -0.15 0.00 -0.03 0.00 0.00 54.58 54.37 1fnt n ASN 111 Cb 0.45 -4.86 -0.13 0.00 -0.61 0.00 0.00 39.78 34.64 1fnt n ASN 111 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1fnt s LYS 112 N -5.16 0.59 -0.01 3.52 1.02 -0.99 -5.00 119.74 113.72 1fnt s LYS 112 Ca 0.06 -0.63 -0.28 0.00 0.02 0.00 0.00 55.97 55.14 1fnt s LYS 112 Cb -0.03 -0.47 -0.03 0.00 -0.52 0.00 0.00 37.83 36.78 1fnt s LYS 112 CO 0.07 0.11 0.89 -1.25 -0.92 0.00 0.00 175.35 174.25 1fnt s PRO 113 N -1.15 4.53 0.09 -1.68 0.04 -1.26 -1.16 135.00 134.41 1fnt s PRO 113 Ca -0.04 1.26 0.10 0.00 0.04 0.00 0.00 61.00 62.35 1fnt s PRO 113 Cb -0.08 -3.45 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 1fnt s PRO 113 CO 0.01 0.00 -0.24 -1.21 0.04 0.00 0.00 177.00 175.60 1fnt s GLU 114 N 0.88 1.67 -0.05 4.56 2.02 -0.73 -4.94 118.70 122.12 1fnt s GLU 114 Ca 0.47 -1.20 -0.02 0.00 0.02 0.00 0.00 54.97 54.24 1fnt s GLU 114 Cb -0.20 -2.01 0.03 0.00 0.10 0.00 0.00 34.13 32.05 1fnt s GLU 114 CO 0.25 0.48 0.05 -1.17 0.02 0.00 0.00 175.26 174.89 1fnt s LEU 115 N -1.80 0.25 -0.16 1.80 2.96 -1.26 -2.61 118.68 117.86 1fnt s LEU 115 Ca 0.14 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.10 1fnt s LEU 115 Cb -0.10 -0.20 0.00 0.00 0.50 0.00 0.00 46.19 46.39 1fnt s LEU 115 CO 0.06 -0.24 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.38 1fnt s TYR 116 N 2.11 2.78 -0.09 5.38 2.02 -0.33 -0.11 117.35 129.10 1fnt s TYR 116 Ca 0.05 -1.12 -0.12 0.00 -0.37 0.00 0.00 57.07 55.50 1fnt s TYR 116 Cb -0.12 -1.89 -0.05 0.00 -0.40 0.00 0.00 41.96 39.50 1fnt s TYR 116 CO -0.03 -0.52 0.30 -1.14 -1.57 0.00 0.00 175.55 172.58 1fnt s GLN 117 N 0.88 3.93 -0.14 -0.62 0.74 -0.57 -0.26 119.66 123.62 1fnt s GLN 117 Ca -0.04 0.15 -0.04 0.00 0.05 0.00 0.00 55.36 55.48 1fnt s GLN 117 Cb -0.15 -3.29 0.07 0.00 1.10 0.00 0.00 33.01 30.73 1fnt s GLN 117 CO -0.01 0.54 0.23 0.42 -0.55 0.00 0.00 175.29 175.92 1fnt s ILE 118 N -0.46 -0.37 0.79 -2.34 1.01 0.78 -2.10 121.20 118.50 1fnt s ILE 118 Ca 0.19 0.21 -0.10 0.00 0.00 0.00 0.00 60.65 60.95 1fnt s ILE 118 Cb -0.14 -0.47 0.09 0.00 0.01 0.00 0.00 42.46 41.95 1fnt s ILE 118 CO 0.07 0.05 1.13 1.51 0.00 0.00 0.00 174.94 177.71 1fnt s ASP 119 N 2.38 4.44 0.28 3.58 1.47 -0.61 -0.92 116.67 127.29 1fnt s ASP 119 Ca 0.03 0.56 0.21 0.00 1.18 0.00 0.00 52.55 54.53 1fnt s ASP 119 Cb -0.13 -1.05 1.04 0.00 -0.34 0.00 0.00 42.92 42.44 1fnt s ASP 119 CO -0.09 -1.89 1.65 0.00 0.68 0.00 0.00 175.17 175.52 1fnt n TYR 120 N -3.21 0.72 0.94 2.11 4.11 -1.11 -1.47 117.16 119.25 1fnt n TYR 120 Ca 0.09 0.34 0.14 0.00 -0.00 0.00 0.00 57.90 58.46 1fnt n TYR 120 Cb 0.61 -1.04 0.59 0.00 -0.00 0.00 0.00 39.34 39.49 1fnt n TYR 120 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1fnt n LEU 121 N -2.21 0.06 -0.11 -3.48 4.77 -1.26 -4.70 117.00 110.07 1fnt n LEU 121 Ca 0.00 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1fnt n LEU 121 Cb 0.11 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1fnt n LEU 121 CO 0.13 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 1fnt n GLY 122 N 1.39 1.14 3.29 -0.72 0.00 -0.54 -4.56 105.19 105.20 1fnt n GLY 122 Ca 0.07 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1fnt n GLY 122 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fnt s THR 123 N -2.21 3.93 0.22 2.61 2.01 -1.21 -4.86 115.64 116.13 1fnt s THR 123 Ca 0.00 -1.10 0.06 0.00 0.31 0.00 0.00 61.69 60.96 1fnt s THR 123 Cb 0.00 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 1fnt s THR 123 CO 0.00 -0.20 0.21 -0.75 -0.69 0.00 0.00 174.62 173.19 1fnt s LYS 124 N 1.43 3.03 -0.29 4.92 2.20 -1.26 -1.57 119.74 128.20 1fnt s LYS 124 Ca -0.01 -0.94 -0.18 0.00 -0.36 0.00 0.00 55.97 54.48 1fnt s LYS 124 Cb -0.20 -2.66 0.15 0.00 -1.51 0.00 0.00 37.83 33.62 1fnt s LYS 124 CO 0.03 0.43 1.05 0.54 -0.36 0.00 0.00 175.35 177.05 1fnt s VAL 125 N -2.00 0.00 0.01 4.02 0.11 -0.89 -5.00 120.40 116.66 1fnt s VAL 125 Ca 0.33 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.07 1fnt s VAL 125 Cb -0.09 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 1fnt s VAL 125 CO 0.25 0.00 1.09 -0.70 -3.33 0.00 0.00 175.10 172.41 1fnt s GLU 126 N 1.04 4.48 0.12 1.54 -6.30 -1.26 -1.51 118.70 116.81 1fnt s GLU 126 Ca -0.06 1.58 0.01 0.00 -2.50 0.00 0.00 54.97 54.00 1fnt s GLU 126 Cb -0.04 -3.43 -0.04 0.00 0.00 0.00 0.00 34.13 30.62 1fnt s GLU 126 CO -0.13 -0.18 -0.04 -0.51 0.02 0.00 0.00 175.26 174.42 1fnt s LEU 127 N 1.21 2.36 0.30 2.70 1.43 0.84 -4.96 118.68 122.55 1fnt s LEU 127 Ca 0.55 -1.06 0.16 0.00 -1.03 0.00 0.00 54.13 52.74 1fnt s LEU 127 Cb -0.24 -0.03 0.17 0.00 0.03 0.00 0.00 46.19 46.11 1fnt s LEU 127 CO 0.27 -0.51 1.49 1.55 0.23 0.00 0.00 176.35 179.38 1fnt h PRO 128 N 2.89 0.00 -1.52 1.29 0.13 -1.92 -3.37 132.00 129.50 1fnt h PRO 128 Ca -0.36 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 64.99 1fnt h PRO 128 Cb 1.18 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 1fnt h PRO 128 CO 0.64 0.48 0.77 1.52 -0.23 0.00 0.00 178.00 181.18 1fnt s TYR 129 N -3.06 -0.17 0.27 1.56 -0.85 -1.26 0.28 117.35 114.12 1fnt s TYR 129 Ca 0.03 0.15 -0.18 0.00 -0.52 0.00 0.00 57.07 56.55 1fnt s TYR 129 Cb 0.08 0.51 0.07 0.00 0.38 0.00 0.00 41.96 42.99 1fnt s TYR 129 CO 0.73 -0.23 0.91 0.41 -1.52 0.00 0.00 175.55 175.85 1fnt n GLY 130 N 0.06 0.78 3.60 5.49 0.00 -0.40 -4.99 105.19 109.73 1fnt n GLY 130 Ca -0.02 -1.19 -0.01 0.00 0.00 0.00 0.00 46.02 44.80 1fnt n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fnt s ALA 131 N -2.03 -2.41 0.46 4.61 0.00 -1.26 -2.29 121.76 118.84 1fnt s ALA 131 Ca 0.19 2.15 -0.11 0.00 0.00 0.00 0.00 51.96 54.19 1fnt s ALA 131 Cb -0.04 -1.81 -0.06 0.00 0.00 0.00 0.00 23.12 21.21 1fnt s ALA 131 CO 0.08 -0.46 0.84 -1.01 0.00 0.00 0.00 175.76 175.22 1fnt s HIS 132 N 1.51 3.50 0.00 0.00 3.76 -1.17 -4.09 115.29 118.79 1fnt s HIS 132 Ca -0.08 1.12 0.00 0.00 -0.15 0.00 0.00 55.06 55.96 1fnt s HIS 132 Cb -0.04 -2.52 0.00 0.00 1.11 0.00 0.00 32.58 31.13 1fnt s HIS 132 CO -0.15 -0.24 0.00 0.41 -0.85 0.00 0.00 174.74 173.91 1fnt n GLY 133 N -1.63 0.42 0.21 -2.22 0.00 -1.26 -3.38 105.19 97.33 1fnt n GLY 133 Ca 0.03 -0.85 0.15 0.00 0.00 0.00 0.00 46.02 45.35 1fnt n GLY 133 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1fnt h TYR 134 N 0.00 0.00 -1.00 1.61 0.05 -1.91 -3.12 116.97 112.60 1fnt h TYR 134 Ca 0.00 0.00 0.21 0.00 0.05 0.00 0.00 58.73 58.99 1fnt h TYR 134 Cb 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 37.63 1fnt h TYR 134 CO 0.00 0.00 0.61 0.77 -1.05 0.00 0.00 178.16 178.49 1fnt h SER 135 N 0.00 0.72 0.18 3.88 0.02 -1.85 -2.22 113.55 114.28 1fnt h SER 135 Ca 0.00 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1fnt h SER 135 Cb 0.13 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1fnt h SER 135 CO 0.00 0.21 -0.09 1.23 -1.14 0.00 0.00 176.83 177.04 1fnt h GLY 136 N 0.67 -0.26 -0.93 -3.77 0.00 -1.69 -3.15 103.07 93.95 1fnt h GLY 136 Ca 0.60 0.09 0.18 0.00 0.00 0.00 0.00 47.33 48.20 1fnt h GLY 136 CO -0.39 -0.09 -0.29 0.74 0.00 0.00 0.00 176.54 176.51 1fnt h PHE 137 N -0.31 -0.69 0.00 5.60 -1.00 -1.64 0.55 116.94 119.44 1fnt h PHE 137 Ca -0.03 0.09 -0.09 0.00 2.81 0.00 0.00 57.97 60.76 1fnt h PHE 137 Cb 0.24 0.45 -0.01 0.00 3.61 0.00 0.00 35.95 40.24 1fnt h PHE 137 CO -0.04 -0.41 -0.44 1.88 -1.61 0.00 0.00 178.31 177.69 1fnt h TYR 138 N -0.01 0.00 0.00 -0.55 0.05 -1.62 -3.39 116.97 111.45 1fnt h TYR 138 Ca 0.42 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 59.02 1fnt h TYR 138 Cb 0.67 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.38 1fnt h TYR 138 CO -0.78 0.44 -1.68 0.25 -1.05 0.00 0.00 178.16 175.33 1fnt n THR 139 N -3.65 0.69 -0.21 -2.88 -2.24 0.52 -4.71 114.28 101.80 1fnt n THR 139 Ca -0.01 -0.26 0.19 0.00 -2.27 0.00 0.00 64.05 61.71 1fnt n THR 139 Cb 0.52 -0.98 0.34 0.00 -2.10 0.00 0.00 70.33 68.11 1fnt n THR 139 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1fnt n PHE 140 N -2.91 0.55 0.42 4.78 3.72 0.16 -0.09 117.46 124.09 1fnt n PHE 140 Ca -0.21 0.55 -0.19 0.00 -0.05 0.00 0.00 57.45 57.55 1fnt n PHE 140 Cb 0.72 -0.97 -0.09 0.00 -0.94 0.00 0.00 39.48 38.20 1fnt n PHE 140 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1fnt h SER 141 N 0.00 -0.90 -1.01 4.37 4.64 -1.83 0.75 113.55 119.57 1fnt h SER 141 Ca 0.47 0.02 0.26 0.00 -0.47 0.00 0.00 61.79 62.07 1fnt h SER 141 Cb 1.36 0.23 -0.08 0.00 -0.31 0.00 0.00 62.40 63.60 1fnt h SER 141 CO -0.36 -0.62 0.67 -0.07 -0.87 0.00 0.00 176.83 175.58 1fnt h LEU 142 N -1.11 0.36 -0.04 5.97 3.38 -0.81 0.53 115.31 123.59 1fnt h LEU 142 Ca -0.11 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1fnt h LEU 142 Cb 0.82 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1fnt h LEU 142 CO 0.18 0.09 -0.22 -0.07 0.09 0.00 0.00 178.44 178.51 1fnt h LEU 143 N 0.33 0.26 -1.33 1.67 3.38 -1.34 -1.64 115.31 116.65 1fnt h LEU 143 Ca 0.55 -0.68 0.16 0.00 0.09 0.00 0.00 57.88 58.00 1fnt h LEU 143 Cb 1.51 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 42.11 1fnt h LEU 143 CO -0.21 0.90 0.58 0.44 0.09 0.00 0.00 178.44 180.23 1fnt h ASP 144 N -0.35 0.60 0.00 -0.43 3.32 0.20 -1.35 116.42 118.41 1fnt h ASP 144 Ca -0.02 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1fnt h ASP 144 Cb 0.90 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1fnt h ASP 144 CO 0.05 0.29 0.00 1.57 -1.72 0.00 0.00 179.24 179.42 1fnt n HIS 145 N -4.56 0.00 0.30 4.55 -0.00 0.15 -4.42 115.22 111.23 1fnt n HIS 145 Ca 0.18 0.00 0.15 0.00 0.46 0.00 0.00 57.72 58.51 1fnt n HIS 145 Cb 0.52 -0.06 0.55 0.00 -0.12 0.00 0.00 29.99 30.88 1fnt n HIS 145 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1fnt h HIS 146 N 0.00 0.00 -3.18 1.57 3.86 -1.29 -3.47 115.15 112.64 1fnt h HIS 146 Ca 0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 1fnt h HIS 146 Cb 0.00 0.00 0.09 0.00 1.06 0.00 0.00 27.41 28.56 1fnt h HIS 146 CO 0.02 0.00 0.81 0.98 0.86 0.00 0.00 177.93 180.59 1fnt n TYR 147 N -2.95 2.70 -3.91 2.45 9.36 -0.51 -5.02 117.16 119.28 1fnt n TYR 147 Ca 0.02 0.31 -0.14 0.00 3.32 0.00 0.00 57.90 61.41 1fnt n TYR 147 Cb 0.35 -2.56 -0.15 0.00 -0.63 0.00 0.00 39.34 36.35 1fnt n TYR 147 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1fnt s ARG 148 N -0.61 0.11 0.48 2.98 1.81 -1.26 -5.00 118.95 117.46 1fnt s ARG 148 Ca 0.64 0.02 0.14 0.00 -1.72 0.00 0.00 55.73 54.81 1fnt s ARG 148 Cb -0.53 -0.19 1.12 0.00 -0.45 0.00 0.00 34.95 34.90 1fnt s ARG 148 CO 0.50 -0.04 2.09 -1.35 -0.68 0.00 0.00 175.30 175.82 1fnt h PRO 149 N 6.53 0.08 0.00 3.54 0.11 -1.93 -2.92 132.00 137.42 1fnt h PRO 149 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1fnt h PRO 149 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1fnt h PRO 149 CO 0.50 0.11 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 1fnt n ASP 150 N -4.46 0.71 -4.44 -2.05 5.68 -1.26 -3.73 116.55 107.00 1fnt n ASP 150 Ca -0.02 0.59 -0.46 0.00 -0.50 0.00 0.00 54.79 54.40 1fnt n ASP 150 Cb 0.13 -0.77 -0.02 0.00 -1.14 0.00 0.00 41.12 39.32 1fnt n ASP 150 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1fnt n MET 151 N -2.19 0.33 -1.22 0.11 2.81 -1.10 -4.62 117.12 111.22 1fnt n MET 151 Ca 0.05 0.12 -0.30 0.00 -1.81 0.00 0.00 57.70 55.76 1fnt n MET 151 Cb 0.37 -1.21 0.21 0.00 -0.71 0.00 0.00 33.22 31.88 1fnt n MET 151 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1fnt s THR 152 N -1.09 1.76 0.10 2.03 -4.23 -1.26 -2.70 115.64 110.24 1fnt s THR 152 Ca 0.62 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.96 1fnt s THR 152 Cb -0.84 -2.56 -0.06 0.00 1.34 0.00 0.00 72.50 70.37 1fnt s THR 152 CO 0.58 0.00 1.53 0.74 -0.54 0.00 0.00 174.62 176.92 1fnt h THR 153 N -2.26 1.26 0.15 3.99 2.02 -2.00 -2.75 112.91 113.32 1fnt h THR 153 Ca -0.47 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 65.75 1fnt h THR 153 Cb 1.30 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 1fnt h THR 153 CO 0.42 0.31 -0.16 -0.08 0.37 0.00 0.00 175.52 176.38 1fnt h GLU 154 N 0.32 -0.33 -0.91 6.66 4.57 -2.01 -2.54 114.58 120.35 1fnt h GLU 154 Ca 0.08 0.02 0.22 0.00 -1.18 0.00 0.00 59.36 58.51 1fnt h GLU 154 Cb 0.45 0.07 -0.17 0.00 -0.16 0.00 0.00 28.75 28.95 1fnt h GLU 154 CO 0.02 -0.22 -0.03 0.93 -1.18 0.00 0.00 179.01 178.53 1fnt h GLU 155 N -0.34 0.04 -0.21 1.92 5.08 -1.88 0.23 114.58 119.41 1fnt h GLU 155 Ca 0.00 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1fnt h GLU 155 Cb 0.32 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1fnt h GLU 155 CO -0.04 0.03 -0.06 0.78 -1.00 0.00 0.00 179.01 178.71 1fnt h GLY 156 N 0.04 0.14 0.42 -3.84 0.00 -1.16 -1.90 103.07 96.78 1fnt h GLY 156 Ca 0.51 0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.98 1fnt h GLY 156 CO -0.85 -0.09 -0.05 1.41 0.00 0.00 0.00 176.54 176.96 1fnt h LEU 157 N -0.01 -0.23 -0.26 3.11 3.38 -0.73 -0.54 115.31 120.02 1fnt h LEU 157 Ca 0.10 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.21 1fnt h LEU 157 Cb 0.17 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1fnt h LEU 157 CO -0.23 -0.08 -0.07 0.44 0.09 0.00 0.00 178.44 178.60 1fnt h ASP 158 N 0.03 -0.25 0.00 -0.43 3.32 -0.96 0.61 116.42 118.74 1fnt h ASP 158 Ca 0.15 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1fnt h ASP 158 Cb 0.22 0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1fnt h ASP 158 CO -0.30 -0.09 0.00 -0.11 -1.72 0.00 0.00 179.24 177.02 1fnt n LEU 159 N -5.23 0.00 -0.34 1.55 7.94 -0.76 -0.96 117.00 119.19 1fnt n LEU 159 Ca -0.01 0.91 0.12 0.00 -1.11 0.00 0.00 56.01 55.92 1fnt n LEU 159 Cb 0.16 -0.41 0.25 0.00 0.53 0.00 0.00 43.42 43.94 1fnt n LEU 159 CO 0.21 -0.41 0.74 -0.11 -1.11 0.00 0.00 177.39 176.71 1fnt n LEU 160 N -2.12 -0.18 -0.25 -1.96 0.00 -0.26 0.70 117.00 112.94 1fnt n LEU 160 Ca 0.00 1.66 0.02 0.00 0.00 0.00 0.00 56.01 57.69 1fnt n LEU 160 Cb 0.00 -0.58 0.14 0.00 0.00 0.00 0.00 43.42 42.99 1fnt n LEU 160 CO 0.00 -1.66 1.06 0.50 0.00 0.00 0.00 177.39 177.29 1fnt h LYS 161 N 0.00 0.57 -0.63 1.96 3.64 0.75 0.92 116.57 123.78 1fnt h LYS 161 Ca 0.56 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.86 1fnt h LYS 161 Cb 1.08 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 1fnt h LYS 161 CO -0.94 0.37 0.23 1.25 -2.27 0.00 0.00 179.45 178.10 1fnt h LEU 162 N 0.58 0.88 -0.79 5.20 5.85 0.21 -1.52 115.31 125.73 1fnt h LEU 162 Ca 0.36 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1fnt h LEU 162 Cb 0.40 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 1fnt h LEU 162 CO -0.28 0.83 0.50 0.00 -0.34 0.00 0.00 178.44 179.14 1fnt h VAL 164 N 0.95 0.00 -1.66 0.00 2.07 -0.30 -1.61 116.25 115.70 1fnt h VAL 164 Ca 0.33 0.00 0.52 0.00 0.82 0.00 0.00 66.70 68.37 1fnt h VAL 164 Cb 0.06 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.72 1fnt h VAL 164 CO -0.13 0.00 1.14 1.56 0.02 0.00 0.00 177.57 180.16 1fnt h GLN 165 N -1.05 0.01 0.08 1.57 4.20 -1.09 0.53 115.11 119.36 1fnt h GLN 165 Ca -0.10 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1fnt h GLN 165 Cb 0.83 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1fnt h GLN 165 CO 0.12 0.00 -0.04 1.49 -0.67 0.00 0.00 178.83 179.73 1fnt h GLU 166 N 0.01 -0.10 -0.93 1.46 4.57 -1.13 -2.58 114.58 115.86 1fnt h GLU 166 Ca 0.91 0.01 0.21 0.00 -1.18 0.00 0.00 59.36 59.31 1fnt h GLU 166 Cb 3.28 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 31.82 1fnt h GLU 166 CO -0.25 0.45 0.61 -0.07 -1.18 0.00 0.00 179.01 178.57 1fnt h LEU 167 N -0.85 0.43 0.26 1.64 3.38 0.96 -0.42 115.31 120.72 1fnt h LEU 167 Ca -0.01 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1fnt h LEU 167 Cb 0.60 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1fnt h LEU 167 CO 0.02 0.16 -0.13 -0.33 0.09 0.00 0.00 178.44 178.25 1fnt h GLU 168 N 0.42 -0.34 -0.88 1.13 5.08 -1.07 -1.69 114.58 117.22 1fnt h GLU 168 Ca 0.50 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 59.01 1fnt h GLU 168 Cb 1.23 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.49 1fnt h GLU 168 CO -0.20 0.00 0.57 -0.22 -1.00 0.00 0.00 179.01 178.16 1fnt h LYS 169 N -0.76 0.71 -0.00 2.33 1.63 -0.70 -3.24 116.57 116.54 1fnt h LYS 169 Ca -0.04 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1fnt h LYS 169 Cb 0.50 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1fnt h LYS 169 CO 0.06 0.47 -0.01 0.54 -3.45 0.00 0.00 179.45 177.06 1fnt n ARG 170 N -4.55 0.21 -3.41 1.90 5.12 -0.49 -5.00 116.66 110.43 1fnt n ARG 170 Ca 0.16 -0.59 -0.38 0.00 -1.93 0.00 0.00 57.85 55.12 1fnt n ARG 170 Cb 0.42 -1.00 -0.06 0.00 -1.16 0.00 0.00 32.46 30.66 1fnt n ARG 170 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 1fnt s MET 171 N -0.36 4.20 0.14 5.56 -1.94 -0.64 -4.98 119.30 121.28 1fnt s MET 171 Ca 0.03 0.37 -0.17 0.00 -1.71 0.00 0.00 55.69 54.21 1fnt s MET 171 Cb 0.02 -3.37 -0.02 0.00 2.01 0.00 0.00 34.83 33.48 1fnt s MET 171 CO 0.04 0.34 1.76 -1.35 -0.01 0.00 0.00 175.02 175.80 1fnt h PRO 172 N 6.09 0.45 -7.13 2.03 0.11 -1.88 -3.44 132.00 128.22 1fnt h PRO 172 Ca -0.44 -0.04 -0.48 0.00 0.11 0.00 0.00 66.00 65.14 1fnt h PRO 172 Cb 1.19 -0.09 0.05 0.00 0.11 0.00 0.00 31.00 32.25 1fnt h PRO 172 CO 0.71 0.35 0.38 -1.64 -0.21 0.00 0.00 178.00 177.59 1fnt s MET 173 N -6.00 3.55 -0.43 1.05 -1.94 -1.26 -5.02 119.30 109.25 1fnt s MET 173 Ca -0.13 1.29 -0.13 0.00 -1.71 0.00 0.00 55.69 55.01 1fnt s MET 173 Cb 0.10 -2.06 0.05 0.00 2.01 0.00 0.00 34.83 34.93 1fnt s MET 173 CO 0.72 -0.64 0.30 0.34 -0.01 0.00 0.00 175.02 175.73 1fnt s ASP 174 N -2.37 5.92 0.00 3.03 2.15 -1.26 -4.95 116.67 119.19 1fnt s ASP 174 Ca 0.66 -1.21 0.26 0.00 0.43 0.00 0.00 52.55 52.68 1fnt s ASP 174 Cb -0.16 -2.10 1.00 0.00 -0.30 0.00 0.00 42.92 41.36 1fnt s ASP 174 CO 0.29 -0.52 1.71 2.22 -0.17 0.00 0.00 175.17 178.69 1fnt n PHE 175 N 5.08 0.07 -2.65 -5.34 -1.74 -1.26 -4.92 117.46 106.70 1fnt n PHE 175 Ca -0.11 -0.04 -0.21 0.00 -0.56 0.00 0.00 57.45 56.53 1fnt n PHE 175 Cb 0.45 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.45 1fnt n PHE 175 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 1fnt n LYS 176 N 0.12 -2.90 0.00 3.97 4.76 -1.26 -2.90 118.16 119.95 1fnt n LYS 176 Ca 0.18 0.93 0.00 0.00 -2.87 0.00 0.00 58.31 56.56 1fnt n LYS 176 Cb 0.32 -5.67 0.00 0.00 -1.84 0.00 0.00 35.03 27.84 1fnt n LYS 176 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1fnt n GLY 177 N -1.18 -1.95 3.12 0.72 0.00 -1.26 -4.55 105.19 100.09 1fnt n GLY 177 Ca -0.19 -1.64 -0.11 0.00 0.00 0.00 0.00 46.02 44.08 1fnt n GLY 177 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fnt s VAL 178 N 0.00 0.09 -0.19 1.61 -7.23 -1.26 -2.80 120.40 110.62 1fnt s VAL 178 Ca 0.00 -0.74 -0.07 0.00 -1.81 0.00 0.00 61.98 59.36 1fnt s VAL 178 Cb 0.00 -0.53 -0.04 0.00 0.56 0.00 0.00 36.38 36.38 1fnt s VAL 178 CO 0.00 -0.41 0.05 -0.63 -0.31 0.00 0.00 175.10 173.80 1fnt s ILE 179 N -1.61 4.56 0.08 -0.62 1.01 -1.04 -4.89 121.20 118.70 1fnt s ILE 179 Ca -0.13 -0.11 0.08 0.00 0.00 0.00 0.00 60.65 60.49 1fnt s ILE 179 Cb -0.06 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 1fnt s ILE 179 CO 0.01 0.45 -0.19 -0.69 0.00 0.00 0.00 174.94 174.52 1fnt s VAL 180 N 0.57 2.79 -0.03 2.92 1.01 -1.26 -2.50 120.40 123.90 1fnt s VAL 180 Ca 0.02 -1.38 -0.09 0.00 0.00 0.00 0.00 61.98 60.53 1fnt s VAL 180 Cb -0.13 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.03 1fnt s VAL 180 CO 0.01 0.20 0.21 -0.54 0.00 0.00 0.00 175.10 174.99 1fnt s LYS 181 N -1.83 0.46 -0.09 2.72 1.02 -0.68 -2.56 119.74 118.78 1fnt s LYS 181 Ca 0.16 -0.11 0.04 0.00 0.02 0.00 0.00 55.97 56.08 1fnt s LYS 181 Cb -0.10 0.20 -0.00 0.00 -0.52 0.00 0.00 37.83 37.41 1fnt s LYS 181 CO 0.08 -0.11 -0.23 0.42 -0.92 0.00 0.00 175.35 174.59 1fnt s ILE 182 N -0.88 1.97 -0.17 2.17 1.01 -0.84 -1.03 121.20 123.42 1fnt s ILE 182 Ca -0.10 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.55 1fnt s ILE 182 Cb -0.05 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 1fnt s ILE 182 CO 0.02 0.54 -0.07 -0.69 0.00 0.00 0.00 174.94 174.73 1fnt s VAL 183 N 0.27 3.38 0.30 2.92 1.01 -0.84 -2.40 120.40 125.04 1fnt s VAL 183 Ca -0.15 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 1fnt s VAL 183 Cb -0.17 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.76 1fnt s VAL 183 CO 0.07 0.48 0.52 -0.90 0.00 0.00 0.00 175.10 175.28 1fnt n ASP 184 N 4.00 -1.50 0.32 3.32 3.85 -0.76 -1.59 116.55 124.18 1fnt n ASP 184 Ca -0.18 -2.41 0.11 0.00 -0.71 0.00 0.00 54.79 51.59 1fnt n ASP 184 Cb 0.52 2.60 0.57 0.00 -1.35 0.00 0.00 41.12 43.46 1fnt n ASP 184 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.20 176.26 1fnt h LYS 185 N 0.00 0.00 0.00 0.11 5.09 -1.95 0.65 116.57 120.46 1fnt h LYS 185 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.49 1fnt h LYS 185 Cb 0.98 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.31 1fnt h LYS 185 CO 0.32 0.00 -1.15 -0.25 -2.09 0.00 0.00 179.45 176.29 1fnt n ASP 186 N -2.69 0.61 0.00 7.07 8.00 -1.26 -5.08 116.55 123.20 1fnt n ASP 186 Ca -0.01 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1fnt n ASP 186 Cb 0.53 0.80 0.00 0.00 -0.02 0.00 0.00 41.12 42.43 1fnt n ASP 186 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fnt n GLY 187 N 1.27 0.22 3.64 0.44 0.00 0.23 -5.04 105.19 105.94 1fnt n GLY 187 Ca 0.00 -1.95 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 1fnt n GLY 187 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fnt s ILE 188 N 0.00 3.91 0.07 -0.61 1.01 -1.25 -1.83 121.20 122.50 1fnt s ILE 188 Ca 0.00 -0.65 -0.13 0.00 0.00 0.00 0.00 60.65 59.87 1fnt s ILE 188 Cb 0.00 -2.71 0.02 0.00 0.01 0.00 0.00 42.46 39.78 1fnt s ILE 188 CO 0.00 0.41 0.29 0.00 0.00 0.00 0.00 174.94 175.64 1fnt s ARG 189 N -1.41 0.87 -0.18 2.79 1.70 -1.01 -5.03 118.95 116.68 1fnt s ARG 189 Ca 0.18 -0.68 -0.04 0.00 -0.47 0.00 0.00 55.73 54.72 1fnt s ARG 189 Cb -0.11 0.37 -0.02 0.00 -0.57 0.00 0.00 34.95 34.62 1fnt s ARG 189 CO 0.08 -0.29 -0.04 -1.14 -1.08 0.00 0.00 175.30 172.83 1fnt s GLN 190 N -3.19 3.55 0.00 3.89 0.74 -1.26 -2.00 119.66 121.40 1fnt s GLN 190 Ca -0.01 -0.57 0.00 0.00 0.05 0.00 0.00 55.36 54.84 1fnt s GLN 190 Cb 0.01 -2.95 0.00 0.00 1.10 0.00 0.00 33.01 31.18 1fnt s GLN 190 CO -0.07 0.07 0.81 0.28 -0.55 0.00 0.00 175.29 175.83 1fnt n VAL 191 N 4.03 0.81 -0.26 1.34 0.31 -1.06 -4.56 118.33 118.94 1fnt n VAL 191 Ca -0.18 -0.16 0.20 0.00 -0.01 0.00 0.00 64.34 64.20 1fnt n VAL 191 Cb 0.52 -1.07 0.31 0.00 -0.91 0.00 0.00 33.84 32.70 1fnt n VAL 191 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1fnt n ASP 192 N 1.39 0.00 0.31 4.52 5.75 -1.26 0.18 116.55 127.45 1fnt n ASP 192 Ca 0.00 0.39 0.20 0.00 -0.01 0.00 0.00 54.79 55.38 1fnt n ASP 192 Cb 0.25 -0.19 1.09 0.00 -1.03 0.00 0.00 41.12 41.24 1fnt n ASP 192 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1fnt h ASP 193 N 0.00 0.00 0.00 -1.12 3.58 -1.97 -3.26 116.42 113.65 1fnt h ASP 193 Ca 0.36 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.81 1fnt h ASP 193 Cb 1.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.55 1fnt h ASP 193 CO -0.00 0.00 0.00 0.33 -2.88 0.00 0.00 179.24 176.69 1fnt n PHE 194 N -2.92 0.00 -0.13 0.28 -0.00 0.13 -0.72 117.46 114.09 1fnt n PHE 194 Ca -0.03 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.15 1fnt n PHE 194 Cb 0.08 0.00 -0.10 0.00 -0.00 0.00 0.00 39.48 39.46 1fnt n PHE 194 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 1fnt n GLN 195 N -0.49 0.60 0.00 -4.13 -0.06 -1.23 -4.31 117.38 107.76 1fnt n GLN 195 Ca 0.00 0.27 0.15 0.00 -2.00 0.00 0.00 57.00 55.41 1fnt n GLN 195 Cb 0.00 -1.52 0.72 0.00 -4.06 0.00 0.00 30.24 25.39 1fnt n GLN 195 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1fnt n ALA 196 N -4.03 2.59 -0.01 1.69 0.00 -0.17 -5.21 120.51 115.36 1fnt n ALA 196 Ca -0.52 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1fnt n ALA 196 Cb 0.89 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1fnt n ALA 196 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44