#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1g s ILE 4 N 0.00 2.74 -0.36 -0.18 -1.09 -0.99 -4.45 121.20 116.87 3f1g s ILE 4 Ca 0.00 -0.71 -0.14 0.00 -2.23 0.00 0.00 60.65 57.57 3f1g s ILE 4 Cb 0.00 -2.21 -0.01 0.00 -1.58 0.00 0.00 42.46 38.66 3f1g s ILE 4 CO 0.00 0.48 0.27 -0.60 -1.23 0.00 0.00 174.94 173.86 3f1g s ARG 5 N 1.35 3.39 -0.30 2.79 3.52 -0.99 -2.83 118.95 125.88 3f1g s ARG 5 Ca 0.05 -0.70 -0.08 0.00 -0.13 0.00 0.00 55.73 54.86 3f1g s ARG 5 Cb -0.14 -3.84 0.00 0.00 -1.56 0.00 0.00 34.95 29.41 3f1g s ARG 5 CO -0.07 -0.52 0.12 0.96 -0.81 0.00 0.00 175.30 174.98 3f1g s ILE 6 N 1.75 4.32 0.19 4.11 -4.36 -0.63 -2.77 121.20 123.80 3f1g s ILE 6 Ca 0.06 -0.54 -0.13 0.00 -0.26 0.00 0.00 60.65 59.78 3f1g s ILE 6 Cb -0.18 -3.21 -0.07 0.00 1.25 0.00 0.00 42.46 40.25 3f1g s ILE 6 CO 0.11 0.07 0.57 -0.54 0.24 0.00 0.00 174.94 175.38 3f1g s LYS 7 N 1.56 3.93 -0.28 0.37 -0.14 -1.01 -1.88 119.74 122.29 3f1g s LYS 7 Ca 0.04 0.44 -0.03 0.00 -1.36 0.00 0.00 55.97 55.06 3f1g s LYS 7 Cb -0.17 -2.80 0.09 0.00 -1.68 0.00 0.00 37.83 33.27 3f1g s LYS 7 CO 0.04 0.40 0.11 -0.51 -0.76 0.00 0.00 175.35 174.63 3f1g s LEU 8 N -2.32 1.17 0.08 3.17 1.02 0.43 -3.11 118.68 119.12 3f1g s LEU 8 Ca 0.42 -1.32 0.03 0.00 0.02 0.00 0.00 54.13 53.28 3f1g s LEU 8 Cb -0.13 -0.54 -0.04 0.00 0.02 0.00 0.00 46.19 45.49 3f1g s LEU 8 CO 0.20 -0.41 0.10 -0.13 0.02 0.00 0.00 176.35 176.13 3f1g s ARG 9 N 1.91 2.97 0.00 1.70 0.52 -0.32 -1.39 118.95 124.35 3f1g s ARG 9 Ca 0.08 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.63 3f1g s ARG 9 Cb -0.17 -2.77 0.00 0.00 0.52 0.00 0.00 34.95 32.53 3f1g s ARG 9 CO -0.28 0.57 0.00 0.41 0.02 0.00 0.00 175.30 176.02 3f1g n GLY 10 N 0.39 1.23 0.16 -3.53 0.00 -0.97 -0.44 105.19 102.04 3f1g n GLY 10 Ca -0.08 -0.43 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 3f1g n GLY 10 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3f1g h PHE 11 N 0.00 0.83 -3.44 1.61 0.05 -1.74 0.73 116.94 114.98 3f1g h PHE 11 Ca 0.00 -0.50 -0.66 0.00 3.82 0.00 0.00 57.97 60.63 3f1g h PHE 11 Cb 0.00 -0.08 -0.16 0.00 2.00 0.00 0.00 35.95 37.71 3f1g h PHE 11 CO 0.00 1.34 0.11 0.34 -0.18 0.00 0.00 178.31 179.92 3f1g s ASP 12 N -7.27 6.28 0.27 2.17 3.68 -1.26 -4.57 116.67 115.97 3f1g s ASP 12 Ca -0.08 -0.57 0.11 0.00 2.13 0.00 0.00 52.55 54.14 3f1g s ASP 12 Cb 0.07 -2.31 0.34 0.00 -1.45 0.00 0.00 42.92 39.57 3f1g s ASP 12 CO 0.91 -0.84 1.60 1.12 0.13 0.00 0.00 175.17 178.09 3f1g h HIS 13 N 8.94 0.00 -0.60 -5.34 2.07 -1.96 0.27 115.15 118.54 3f1g h HIS 13 Ca -0.26 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.22 3f1g h HIS 13 Cb 1.09 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.05 3f1g h HIS 13 CO 0.74 0.62 0.23 0.87 -3.07 0.00 0.00 177.93 177.32 3f1g h LYS 14 N 0.00 0.87 0.16 5.12 1.57 -1.98 0.54 116.57 122.85 3f1g h LYS 14 Ca -0.01 -0.14 -0.31 0.00 -1.87 0.00 0.00 60.65 58.32 3f1g h LYS 14 Cb 1.13 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 33.29 3f1g h LYS 14 CO 0.08 0.72 -1.55 1.79 -0.57 0.00 0.00 179.45 179.92 3f1g h THR 15 N 0.86 1.03 -0.97 -0.16 1.35 -1.94 -3.21 112.91 109.87 3f1g h THR 15 Ca 0.20 -2.48 0.04 0.00 -0.55 0.00 0.00 66.41 63.62 3f1g h THR 15 Cb 0.19 2.79 -0.06 0.00 -1.73 0.00 0.00 68.15 69.34 3f1g h THR 15 CO -0.02 0.79 0.63 0.25 -0.25 0.00 0.00 175.52 176.92 3f1g h LEU 16 N -0.08 1.05 -0.92 3.87 7.12 -0.20 -0.32 115.31 125.83 3f1g h LEU 16 Ca -0.31 -0.01 -0.11 0.00 0.13 0.00 0.00 57.88 57.57 3f1g h LEU 16 Cb 1.95 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 41.82 3f1g h LEU 16 CO 0.14 0.72 -0.51 -0.78 -0.13 0.00 0.00 178.44 177.88 3f1g h ASP 17 N 1.22 0.07 -0.54 1.25 3.58 -0.08 -2.34 116.42 119.58 3f1g h ASP 17 Ca 0.38 -0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.76 3f1g h ASP 17 Cb -0.00 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 3f1g h ASP 17 CO -0.12 0.58 0.18 0.00 -2.88 0.00 0.00 179.24 176.99 3f1g h ALA 18 N 1.43 0.71 0.00 -0.78 0.00 -1.08 -2.72 119.26 116.81 3f1g h ALA 18 Ca -0.00 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 3f1g h ALA 18 Cb 0.93 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3f1g h ALA 18 CO 0.07 0.36 -0.99 0.66 0.00 0.00 0.00 179.25 179.35 3f1g h SER 19 N 0.75 0.00 -0.08 0.00 4.64 -1.33 -2.60 113.55 114.93 3f1g h SER 19 Ca 0.18 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 3f1g h SER 19 Cb 0.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3f1g h SER 19 CO -0.01 0.76 0.01 0.00 -0.87 0.00 0.00 176.83 176.72 3f1g h ALA 20 N 1.24 0.10 0.00 5.18 0.00 -1.38 -2.39 119.26 122.02 3f1g h ALA 20 Ca -0.07 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 3f1g h ALA 20 Cb 1.64 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 3f1g h ALA 20 CO 0.09 -0.24 -0.50 0.37 0.00 0.00 0.00 179.25 178.97 3f1g h GLN 21 N -0.12 0.00 -0.70 0.00 4.15 -1.59 -2.76 115.11 114.09 3f1g h GLN 21 Ca 0.02 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.49 3f1g h GLN 21 Cb 0.30 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.94 3f1g h GLN 21 CO 0.00 0.50 0.41 -0.22 -1.93 0.00 0.00 178.83 177.59 3f1g h LYS 22 N 0.00 0.75 0.00 1.69 3.11 -1.31 -2.04 116.57 118.77 3f1g h LYS 22 Ca -0.01 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.78 3f1g h LYS 22 Cb 0.89 -0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 31.95 3f1g h LYS 22 CO 0.07 0.49 -0.07 0.82 -2.81 0.00 0.00 179.45 177.95 3f1g h ILE 23 N 0.77 0.88 0.08 2.00 2.04 -1.12 -1.75 117.51 120.41 3f1g h ILE 23 Ca 0.30 -0.25 -0.27 0.00 1.00 0.00 0.00 64.86 65.64 3f1g h ILE 23 Cb 0.14 1.14 0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3f1g h ILE 23 CO -0.16 0.07 -1.16 0.58 0.00 0.00 0.00 178.15 177.48 3f1g h VAL 24 N 0.00 1.36 -0.89 1.67 2.07 -1.43 -2.63 116.25 116.39 3f1g h VAL 24 Ca -0.00 -2.57 0.21 0.00 0.82 0.00 0.00 66.70 65.16 3f1g h VAL 24 Cb 0.13 2.65 -0.12 0.00 -1.52 0.00 0.00 31.29 32.44 3f1g h VAL 24 CO 0.01 0.77 0.41 -0.33 0.02 0.00 0.00 177.57 178.45 3f1g h GLU 25 N 0.23 0.43 0.00 1.57 5.08 -0.75 -2.76 114.58 118.38 3f1g h GLU 25 Ca -0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3f1g h GLU 25 Cb 1.83 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.98 3f1g h GLU 25 CO 0.21 0.29 0.00 0.00 -1.00 0.00 0.00 179.01 178.51 3f1g n ALA 26 N -2.48 -0.03 -0.22 3.43 0.00 -1.09 -3.61 120.51 116.51 3f1g n ALA 26 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.77 3f1g n ALA 26 Cb 0.61 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.48 3f1g n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f1g h ALA 27 N -2.00 1.89 0.36 0.00 0.00 -1.53 -2.65 119.26 115.33 3f1g h ALA 27 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3f1g h ALA 27 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3f1g h ALA 27 CO 0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 179.25 178.98 3f1g h ARG 28 N 0.62 -0.46 -2.51 0.00 3.08 -1.68 -2.24 114.38 111.19 3f1g h ARG 28 Ca 0.40 0.03 -0.25 0.00 0.07 0.00 0.00 59.98 60.23 3f1g h ARG 28 Cb 0.68 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 3f1g h ARG 28 CO -0.16 -0.31 0.78 -2.13 -1.07 0.00 0.00 179.97 177.08 3f1g n ARG 29 N -3.69 1.92 -0.00 0.04 0.63 -1.02 -1.98 116.66 112.57 3f1g n ARG 29 Ca -0.06 -1.07 0.00 0.00 -0.92 0.00 0.00 57.85 55.80 3f1g n ARG 29 Cb 0.19 -2.10 0.00 0.00 0.45 0.00 0.00 32.46 31.00 3f1g n ARG 29 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3f1g n SER 30 N 2.98 0.00 0.00 6.15 3.41 -1.11 -4.86 113.62 120.19 3f1g n SER 30 Ca 0.41 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 3f1g n SER 30 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3f1g n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f1g n GLY 31 N 0.00 -0.60 3.51 5.00 0.00 -0.84 -4.47 105.19 107.79 3f1g n GLY 31 Ca 0.00 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 3f1g n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1g s ALA 32 N -1.00 0.19 0.33 4.61 0.00 -1.25 -4.71 121.76 119.93 3f1g s ALA 32 Ca 0.00 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 50.84 3f1g s ALA 32 Cb 0.00 -2.94 -0.11 0.00 0.00 0.00 0.00 23.12 20.08 3f1g s ALA 32 CO 0.00 -3.84 1.40 -0.65 0.00 0.00 0.00 175.76 172.67 3f1g s GLN 33 N -5.23 4.25 -0.17 0.00 -0.21 -1.26 -4.34 119.66 112.69 3f1g s GLN 33 Ca 0.70 2.36 -0.04 0.00 0.02 0.00 0.00 55.36 58.40 3f1g s GLN 33 Cb -0.12 -3.04 0.07 0.00 1.00 0.00 0.00 33.01 30.92 3f1g s GLN 33 CO 0.57 -0.36 0.14 0.08 -2.12 0.00 0.00 175.29 173.60 3f1g s VAL 34 N -0.89 -0.19 0.06 1.09 1.01 -1.26 -0.60 120.40 119.62 3f1g s VAL 34 Ca 0.53 -0.11 -0.31 0.00 0.00 0.00 0.00 61.98 62.09 3f1g s VAL 34 Cb -0.43 -0.59 -0.08 0.00 0.00 0.00 0.00 36.38 35.29 3f1g s VAL 34 CO 0.54 -0.22 1.66 -0.94 0.00 0.00 0.00 175.10 176.14 3f1g s SER 35 N 2.22 6.61 1.03 3.32 1.04 -0.08 -4.91 113.70 122.92 3f1g s SER 35 Ca 0.04 2.47 -0.21 0.00 0.48 0.00 0.00 55.95 58.73 3f1g s SER 35 Cb -0.16 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.39 3f1g s SER 35 CO -0.10 -0.89 -0.58 0.61 0.98 0.00 0.00 173.24 173.26 3f1g n GLY 36 N 4.01 -2.62 3.67 7.32 0.00 -1.26 -3.31 105.19 113.00 3f1g n GLY 36 Ca 0.16 -0.49 -0.44 0.00 0.00 0.00 0.00 46.02 45.25 3f1g n GLY 36 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3f1g n PRO 37 N -0.05 2.63 -3.29 1.61 -0.02 -1.26 -4.61 135.00 130.00 3f1g n PRO 37 Ca 0.00 0.96 -0.45 0.00 -2.02 0.00 0.00 63.50 61.99 3f1g n PRO 37 Cb 0.61 -2.88 -0.06 0.00 -0.02 0.00 0.00 33.50 31.16 3f1g n PRO 37 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3f1g s ILE 38 N 4.19 5.13 0.11 4.25 1.01 0.58 -4.89 121.20 131.58 3f1g s ILE 38 Ca 0.90 -1.21 -0.31 0.00 0.00 0.00 0.00 60.65 60.02 3f1g s ILE 38 Cb -0.53 -4.30 -0.10 0.00 0.01 0.00 0.00 42.46 37.55 3f1g s ILE 38 CO 0.45 -0.82 1.81 -2.16 0.00 0.00 0.00 174.94 174.22 3f1g s PRO 39 N 1.86 4.15 0.22 2.79 0.04 -1.26 -1.28 135.00 141.51 3f1g s PRO 39 Ca 0.06 2.55 0.07 0.00 0.04 0.00 0.00 61.00 63.71 3f1g s PRO 39 Cb -0.27 -3.63 -0.04 0.00 0.04 0.00 0.00 34.50 30.61 3f1g s PRO 39 CO 0.05 -0.83 0.16 -0.51 0.04 0.00 0.00 177.00 175.91 3f1g s LEU 40 N 2.83 3.77 -0.03 -3.56 1.43 -0.80 -4.97 118.68 117.35 3f1g s LEU 40 Ca 0.80 -0.23 -0.35 0.00 -1.03 0.00 0.00 54.13 53.31 3f1g s LEU 40 Cb -0.45 -2.33 -0.14 0.00 0.03 0.00 0.00 46.19 43.31 3f1g s LEU 40 CO 0.36 0.00 1.71 -0.81 0.23 0.00 0.00 176.35 177.84 3f1g n PRO 41 N -0.86 1.89 -2.42 1.29 -0.04 -1.26 -4.31 135.00 129.29 3f1g n PRO 41 Ca -0.08 0.69 -0.42 0.00 -0.04 0.00 0.00 63.50 63.65 3f1g n PRO 41 Cb 0.57 -2.46 -0.03 0.00 -0.04 0.00 0.00 33.50 31.54 3f1g n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3f1g s THR 42 N 2.69 4.16 0.13 0.52 2.01 -1.26 -4.56 115.64 119.32 3f1g s THR 42 Ca 0.89 1.50 -0.30 0.00 0.31 0.00 0.00 61.69 64.09 3f1g s THR 42 Cb -0.78 -3.96 -0.06 0.00 0.01 0.00 0.00 72.50 67.70 3f1g s THR 42 CO 0.49 0.00 1.01 -0.13 -0.69 0.00 0.00 174.62 175.31 3f1g s ARG 43 N 2.19 4.65 -0.14 4.92 1.81 -1.06 -4.94 118.95 126.39 3f1g s ARG 43 Ca 0.57 1.54 -0.01 0.00 -1.72 0.00 0.00 55.73 56.11 3f1g s ARG 43 Cb -0.26 -3.35 0.04 0.00 -0.45 0.00 0.00 34.95 30.94 3f1g s ARG 43 CO 0.23 0.15 -0.02 0.08 -0.68 0.00 0.00 175.30 175.06 3f1g s VAL 44 N -0.01 0.74 -0.60 3.52 1.01 -1.26 -1.42 120.40 122.36 3f1g s VAL 44 Ca 0.48 -0.37 -0.23 0.00 0.00 0.00 0.00 61.98 61.87 3f1g s VAL 44 Cb -0.25 -0.98 0.06 0.00 0.00 0.00 0.00 36.38 35.20 3f1g s VAL 44 CO 0.31 0.10 0.92 -0.13 0.00 0.00 0.00 175.10 176.30 3f1g s ARG 45 N 1.80 3.19 -0.07 2.72 1.81 -0.16 -4.92 118.95 123.32 3f1g s ARG 45 Ca 0.02 -0.65 -0.17 0.00 -1.72 0.00 0.00 55.73 53.22 3f1g s ARG 45 Cb -0.15 -4.15 -0.05 0.00 -0.45 0.00 0.00 34.95 30.15 3f1g s ARG 45 CO -0.07 -1.64 0.44 1.03 -0.68 0.00 0.00 175.30 174.38 3f1g s ARG 46 N 3.86 4.17 -0.18 3.54 0.52 -1.26 0.58 118.95 130.17 3f1g s ARG 46 Ca 0.24 0.42 -0.01 0.00 -0.52 0.00 0.00 55.73 55.86 3f1g s ARG 46 Cb -0.16 -3.34 0.05 0.00 0.52 0.00 0.00 34.95 32.02 3f1g s ARG 46 CO 0.13 0.40 -0.02 -0.06 0.02 0.00 0.00 175.30 175.77 3f1g s PHE 47 N -0.14 1.57 0.02 -0.53 2.99 -0.08 -4.99 117.98 116.82 3f1g s PHE 47 Ca 0.24 -1.10 -0.11 0.00 0.00 0.00 0.00 56.93 55.96 3f1g s PHE 47 Cb -0.16 -1.25 -0.05 0.00 0.00 0.00 0.00 43.02 41.56 3f1g s PHE 47 CO 0.11 -0.63 0.36 0.95 -0.00 0.00 0.00 175.22 176.01 3f1g s THR 48 N 1.67 5.14 0.05 0.64 -4.23 -1.26 -1.78 115.64 115.87 3f1g s THR 48 Ca -0.01 0.53 -0.03 0.00 -1.18 0.00 0.00 61.69 60.99 3f1g s THR 48 Cb -0.16 -3.63 -0.02 0.00 1.34 0.00 0.00 72.50 70.02 3f1g s THR 48 CO -0.07 0.44 0.04 0.54 -0.54 0.00 0.00 174.62 175.03 3f1g s VAL 49 N -1.23 0.17 0.06 2.29 0.11 0.79 -4.99 120.40 117.61 3f1g s VAL 49 Ca 0.27 -1.43 -0.30 0.00 -2.93 0.00 0.00 61.98 57.59 3f1g s VAL 49 Cb -0.15 -1.21 -0.05 0.00 -1.53 0.00 0.00 36.38 33.45 3f1g s VAL 49 CO 0.15 -0.79 1.02 -0.63 -3.33 0.00 0.00 175.10 171.51 3f1g s ILE 50 N -3.34 4.53 0.04 7.04 -1.09 -1.26 -1.50 121.20 125.62 3f1g s ILE 50 Ca 0.01 1.93 -0.27 0.00 -2.23 0.00 0.00 60.65 60.09 3f1g s ILE 50 Cb 0.03 -4.23 -0.15 0.00 -1.58 0.00 0.00 42.46 36.53 3f1g s ILE 50 CO -0.08 0.21 1.41 -0.09 -1.23 0.00 0.00 174.94 175.17 3f1g h ARG 51 N 6.24 -0.95 -7.37 2.79 2.43 -1.81 -3.44 114.38 112.28 3f1g h ARG 51 Ca -0.42 0.06 -0.50 0.00 -0.81 0.00 0.00 59.98 58.31 3f1g h ARG 51 Cb 1.22 0.22 0.09 0.00 -0.42 0.00 0.00 29.97 31.07 3f1g h ARG 51 CO 0.75 -0.63 0.38 0.20 -1.51 0.00 0.00 179.97 179.15 3f1g s GLY 52 N -1.72 1.65 0.41 2.80 0.00 -1.26 -4.94 107.32 104.27 3f1g s GLY 52 Ca -0.14 -0.05 0.29 0.00 0.00 0.00 0.00 44.72 44.81 3f1g s GLY 52 CO 0.43 0.28 1.84 -0.56 0.00 0.00 0.00 173.10 175.10 3f1g h PRO 53 N -0.72 0.00 0.00 2.90 0.13 -2.02 -3.47 132.00 128.83 3f1g h PRO 53 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3f1g h PRO 53 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3f1g h PRO 53 CO 0.59 0.00 0.00 0.34 -0.23 0.00 0.00 178.00 178.70 3f1g n PHE 54 N -2.70 -0.02 -1.83 1.56 7.35 -1.26 -5.06 117.46 115.51 3f1g n PHE 54 Ca 0.02 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.28 3f1g n PHE 54 Cb 0.30 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.10 3f1g n PHE 54 CO 0.00 0.00 0.00 -1.59 -0.76 0.00 0.00 176.76 174.41 3f1g s LYS 55 N 1.21 3.29 -0.40 -4.13 0.00 -1.26 -4.82 119.74 113.63 3f1g s LYS 55 Ca 0.00 1.72 0.05 0.00 0.00 0.00 0.00 55.97 57.75 3f1g s LYS 55 Cb 0.00 -4.26 0.32 0.00 0.00 0.00 0.00 37.83 33.89 3f1g s LYS 55 CO 0.00 -1.91 1.24 0.72 0.00 0.00 0.00 175.35 175.40 3f1g n HIS 56 N 10.72 -1.84 -1.72 1.78 8.25 -1.26 -5.08 115.22 126.08 3f1g n HIS 56 Ca 0.26 -1.54 -0.18 0.00 -0.26 0.00 0.00 57.72 55.99 3f1g n HIS 56 Cb 0.46 1.45 -0.10 0.00 1.12 0.00 0.00 29.99 32.92 3f1g n HIS 56 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3f1g s LYS 57 N 0.17 1.55 0.00 -0.41 -0.14 -1.26 -4.49 119.74 115.17 3f1g s LYS 57 Ca 0.21 -0.48 0.00 0.00 -1.36 0.00 0.00 55.97 54.33 3f1g s LYS 57 Cb 0.29 -5.02 0.00 0.00 -1.68 0.00 0.00 37.83 31.42 3f1g s LYS 57 CO -0.11 -4.99 0.00 -0.40 -0.76 0.00 0.00 175.35 169.09 3f1g n ASP 58 N 18.25 0.00 -2.69 2.83 5.75 -1.26 -5.00 116.55 134.43 3f1g n ASP 58 Ca 0.43 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 55.11 3f1g n ASP 58 Cb 0.46 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.55 3f1g n ASP 58 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3f1g n SER 59 N 3.00 -2.57 -4.93 -1.12 3.41 -1.26 -4.57 113.62 105.58 3f1g n SER 59 Ca 0.00 0.18 -0.26 0.00 -0.26 0.00 0.00 58.87 58.52 3f1g n SER 59 Cb 0.00 -2.24 -0.03 0.00 -0.26 0.00 0.00 64.21 61.68 3f1g n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f1g s ARG 60 N -5.25 3.52 0.26 4.33 1.70 -1.26 -4.00 118.95 118.25 3f1g s ARG 60 Ca 0.09 -0.32 0.03 0.00 -0.47 0.00 0.00 55.73 55.07 3f1g s ARG 60 Cb -0.05 -2.78 -0.03 0.00 -0.57 0.00 0.00 34.95 31.52 3f1g s ARG 60 CO 0.12 0.33 0.41 -2.00 -1.08 0.00 0.00 175.30 173.07 3f1g s GLU 61 N -3.60 3.46 -0.27 3.89 2.56 -0.56 -4.76 118.70 119.41 3f1g s GLU 61 Ca 0.39 -0.61 -0.10 0.00 0.00 0.00 0.00 54.97 54.65 3f1g s GLU 61 Cb -0.11 -2.83 0.11 0.00 2.00 0.00 0.00 34.13 33.30 3f1g s GLU 61 CO 0.30 0.36 0.60 -3.38 -0.56 0.00 0.00 175.26 172.58 3f1g s HIS 62 N -2.05 -1.16 0.39 5.30 -3.43 -1.26 -0.15 115.29 112.93 3f1g s HIS 62 Ca 0.36 2.10 0.08 0.00 -0.80 0.00 0.00 55.06 56.79 3f1g s HIS 62 Cb -0.09 0.66 -0.02 0.00 -1.43 0.00 0.00 32.58 31.70 3f1g s HIS 62 CO 0.31 -0.59 0.39 -0.06 -2.00 0.00 0.00 174.74 172.78 3f1g s PHE 63 N 2.56 2.80 0.02 0.38 0.08 -0.74 -4.94 117.98 118.15 3f1g s PHE 63 Ca -0.06 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.60 3f1g s PHE 63 Cb -0.11 -2.09 -0.01 0.00 -0.57 0.00 0.00 43.02 40.24 3f1g s PHE 63 CO -0.18 -0.07 -0.06 -1.83 -0.10 0.00 0.00 175.22 172.97 3f1g s GLU 64 N -4.13 0.47 -0.39 0.44 -1.05 -1.26 -0.90 118.70 111.88 3f1g s GLU 64 Ca 0.47 -0.48 -0.05 0.00 -0.15 0.00 0.00 54.97 54.76 3f1g s GLU 64 Cb -0.05 -0.34 0.09 0.00 -0.44 0.00 0.00 34.13 33.38 3f1g s GLU 64 CO 0.28 0.08 0.19 -1.17 0.95 0.00 0.00 175.26 175.59 3f1g s LEU 65 N -0.88 4.97 -0.14 1.83 2.96 0.20 -4.98 118.68 122.63 3f1g s LEU 65 Ca -0.04 -1.70 -0.21 0.00 -0.22 0.00 0.00 54.13 51.96 3f1g s LEU 65 Cb -0.06 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 3f1g s LEU 65 CO 0.00 -0.49 0.60 -0.13 -1.32 0.00 0.00 176.35 175.01 3f1g s ARG 66 N 1.26 4.31 -0.39 1.98 0.52 -1.26 -0.99 118.95 124.38 3f1g s ARG 66 Ca 0.04 0.62 -0.06 0.00 -0.52 0.00 0.00 55.73 55.82 3f1g s ARG 66 Cb -0.22 -3.50 0.08 0.00 0.52 0.00 0.00 34.95 31.83 3f1g s ARG 66 CO -0.01 -0.04 0.19 0.99 0.02 0.00 0.00 175.30 176.44 3f1g s THR 67 N 1.23 3.66 -0.18 0.02 2.01 -0.51 -4.27 115.64 117.60 3f1g s THR 67 Ca 0.30 -1.61 -0.29 0.00 0.31 0.00 0.00 61.69 60.39 3f1g s THR 67 Cb -0.16 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.05 3f1g s THR 67 CO 0.12 -0.48 1.03 -1.00 -0.69 0.00 0.00 174.62 173.60 3f1g s HIS 68 N 1.29 3.40 0.11 4.92 0.09 0.25 -2.57 115.29 122.78 3f1g s HIS 68 Ca 0.03 1.51 -0.04 0.00 -0.00 0.00 0.00 55.06 56.56 3f1g s HIS 68 Cb -0.22 -3.24 -0.05 0.00 -0.00 0.00 0.00 32.58 29.07 3f1g s HIS 68 CO -0.01 -0.40 0.33 -0.80 -0.00 0.00 0.00 174.74 173.87 3f1g s ASN 69 N 1.17 6.47 0.13 1.40 0.01 -1.26 -2.28 114.94 120.58 3f1g s ASN 69 Ca 0.46 0.54 -0.17 0.00 -0.71 0.00 0.00 52.86 52.97 3f1g s ASN 69 Cb -0.16 -2.07 0.04 0.00 0.41 0.00 0.00 41.25 39.47 3f1g s ASN 69 CO 0.11 0.11 0.43 -0.13 -1.51 0.00 0.00 177.10 176.11 3f1g s ARG 70 N -2.47 1.11 -0.01 -0.60 0.52 -0.48 -1.91 118.95 115.11 3f1g s ARG 70 Ca 0.38 -0.68 -0.09 0.00 -0.52 0.00 0.00 55.73 54.82 3f1g s ARG 70 Cb -0.13 0.49 0.01 0.00 0.52 0.00 0.00 34.95 35.84 3f1g s ARG 70 CO 0.24 -0.44 0.18 -1.17 0.02 0.00 0.00 175.30 174.12 3f1g s LEU 71 N -2.80 1.38 -0.04 2.53 2.96 -0.40 -0.43 118.68 121.87 3f1g s LEU 71 Ca 0.03 -0.10 -0.16 0.00 -0.22 0.00 0.00 54.13 53.68 3f1g s LEU 71 Cb 0.01 0.81 0.03 0.00 0.50 0.00 0.00 46.19 47.54 3f1g s LEU 71 CO -0.12 -0.37 0.35 -0.69 -1.32 0.00 0.00 176.35 174.21 3f1g s VAL 72 N -1.27 0.04 -0.08 1.68 1.01 -0.79 0.21 120.40 121.21 3f1g s VAL 72 Ca -0.13 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 3f1g s VAL 72 Cb -0.07 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.71 3f1g s VAL 72 CO 0.02 -0.19 -0.01 -1.81 0.00 0.00 0.00 175.10 173.10 3f1g s ASP 73 N -1.04 1.66 -0.05 3.32 1.01 -1.21 -1.61 116.67 118.76 3f1g s ASP 73 Ca -0.11 -0.12 -0.16 0.00 0.71 0.00 0.00 52.55 52.87 3f1g s ASP 73 Cb -0.04 -0.51 -0.05 0.00 1.01 0.00 0.00 42.92 43.32 3f1g s ASP 73 CO 0.04 -0.17 0.43 0.27 0.21 0.00 0.00 175.17 175.95 3f1g s ILE 74 N 1.88 5.09 -0.10 0.77 -0.00 -1.13 -0.90 121.20 126.81 3f1g s ILE 74 Ca 0.04 0.87 -0.00 0.00 -0.00 0.00 0.00 60.65 61.56 3f1g s ILE 74 Cb -0.12 -3.75 -0.00 0.00 -0.00 0.00 0.00 42.46 38.58 3f1g s ILE 74 CO -0.06 0.48 -0.00 0.16 -0.00 0.00 0.00 174.94 175.52 3f1g h ILE 75 N 4.11 0.01 -3.74 8.37 3.07 -1.17 0.00 117.51 128.16 3f1g h ILE 75 Ca -0.47 -1.01 -0.65 0.00 1.55 0.00 0.00 64.86 64.28 3f1g h ILE 75 Cb 1.20 0.01 -0.20 0.00 -0.27 0.00 0.00 36.82 37.56 3f1g h ILE 75 CO 0.67 0.00 -0.57 0.20 -1.05 0.00 0.00 178.15 177.40 3f1g s ASN 76 N -5.56 5.54 -1.04 2.16 0.02 -1.26 -3.08 114.94 111.71 3f1g s ASN 76 Ca -0.01 -0.19 -0.24 0.00 -1.02 0.00 0.00 52.86 51.40 3f1g s ASN 76 Cb 0.00 -2.01 -0.10 0.00 0.02 0.00 0.00 41.25 39.16 3f1g s ASN 76 CO 0.01 -0.07 2.01 -2.16 0.02 0.00 0.00 177.10 176.90 3f1g s PRO 77 N 1.67 2.25 0.01 -0.60 0.04 -1.26 -4.32 135.00 132.79 3f1g s PRO 77 Ca 0.06 -0.64 -0.30 0.00 0.04 0.00 0.00 61.00 60.17 3f1g s PRO 77 Cb -0.16 -5.11 -0.05 0.00 0.04 0.00 0.00 34.50 29.23 3f1g s PRO 77 CO 0.07 -4.04 1.20 -0.80 0.04 0.00 0.00 177.00 173.47 3f1g s ASN 78 N 7.67 7.07 0.64 6.66 0.01 -1.26 -4.88 114.94 130.84 3f1g s ASN 78 Ca 0.73 1.93 0.31 0.00 -0.71 0.00 0.00 52.86 55.12 3f1g s ASN 78 Cb -0.04 -2.57 1.67 0.00 0.41 0.00 0.00 41.25 40.72 3f1g s ASN 78 CO 0.09 -0.52 1.98 0.03 -1.51 0.00 0.00 177.10 177.17 3f1g h ARG 79 N 7.11 0.00 -0.54 -0.60 2.47 -1.97 0.98 114.38 121.84 3f1g h ARG 79 Ca -0.39 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.22 3f1g h ARG 79 Cb 1.19 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.49 3f1g h ARG 79 CO 0.84 0.00 -0.11 -0.22 0.56 0.00 0.00 179.97 181.04 3f1g h LYS 80 N 0.00 1.02 0.00 0.04 3.64 -1.90 -2.39 116.57 116.98 3f1g h LYS 80 Ca 0.06 -0.37 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 3f1g h LYS 80 Cb 0.69 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3f1g h LYS 80 CO -0.00 1.06 -0.30 1.79 -2.27 0.00 0.00 179.45 179.73 3f1g h THR 81 N 0.90 0.22 0.00 1.00 1.35 0.66 0.32 112.91 117.36 3f1g h THR 81 Ca 0.14 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 3f1g h THR 81 Cb 0.67 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 3f1g h THR 81 CO 0.05 0.12 0.00 -0.38 -0.25 0.00 0.00 175.52 175.06 3f1g n ILE 82 N -3.07 0.59 -0.13 6.82 2.08 0.19 -0.75 119.36 125.09 3f1g n ILE 82 Ca 0.02 -0.24 -0.24 0.00 0.56 0.00 0.00 62.75 62.85 3f1g n ILE 82 Cb 0.59 -0.62 -0.11 0.00 -0.75 0.00 0.00 39.64 38.76 3f1g n ILE 82 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 3f1g n GLU 83 N -2.23 0.60 -0.27 0.38 2.13 -0.91 -4.49 120.64 115.85 3f1g n GLU 83 Ca 0.05 0.20 0.05 0.00 0.66 0.00 0.00 57.16 58.13 3f1g n GLU 83 Cb 0.41 -1.48 0.15 0.00 0.27 0.00 0.00 31.44 30.80 3f1g n GLU 83 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 3f1g h GLN 84 N -0.54 0.07 -1.84 5.31 5.75 -0.36 0.12 115.11 123.61 3f1g h GLN 84 Ca -0.63 -0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 57.67 3f1g h GLN 84 Cb 1.72 -0.02 -0.08 0.00 1.07 0.00 0.00 27.48 30.18 3f1g h GLN 84 CO -0.27 0.04 0.12 1.28 -2.65 0.00 0.00 178.83 177.35 3f1g n LEU 85 N -5.40 5.83 0.00 -2.39 4.77 0.07 -2.91 117.00 116.97 3f1g n LEU 85 Ca 0.14 -3.01 0.00 0.00 -0.03 0.00 0.00 56.01 53.10 3f1g n LEU 85 Cb 0.48 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 3f1g n LEU 85 CO 0.02 1.27 0.00 0.23 -1.33 0.00 0.00 177.39 177.59 3f1g n MET 86 N 1.21 0.00 -0.14 3.23 2.81 0.30 -4.66 117.12 119.87 3f1g n MET 86 Ca 0.22 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 56.11 3f1g n MET 86 Cb 0.60 -0.07 0.04 0.00 -0.71 0.00 0.00 33.22 33.09 3f1g n MET 86 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3f1g n THR 87 N -2.27 0.72 -1.37 2.03 -2.24 -0.57 -3.62 114.28 106.96 3f1g n THR 87 Ca 0.00 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3f1g n THR 87 Cb 0.00 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 3f1g n THR 87 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3f1g n LEU 88 N 0.15 0.00 -4.54 3.22 7.94 -1.15 -5.02 117.00 117.60 3f1g n LEU 88 Ca 0.05 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.52 3f1g n LEU 88 Cb 0.48 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.39 3f1g n LEU 88 CO 0.06 0.11 0.63 1.51 -1.11 0.00 0.00 177.39 178.59 3f1g s ASP 89 N 0.00 6.41 -0.45 1.96 1.47 -1.24 -4.96 116.67 119.86 3f1g s ASP 89 Ca 0.00 -0.12 0.05 0.00 1.18 0.00 0.00 52.55 53.66 3f1g s ASP 89 Cb 0.00 -2.41 0.19 0.00 -0.34 0.00 0.00 42.92 40.36 3f1g s ASP 89 CO 0.00 -0.99 0.41 -0.11 0.68 0.00 0.00 175.17 175.16 3f1g n LEU 90 N 6.92 0.27 0.00 2.11 7.94 -1.26 -4.99 117.00 127.99 3f1g n LEU 90 Ca 0.03 -4.59 0.00 0.00 -1.11 0.00 0.00 56.01 50.34 3f1g n LEU 90 Cb 0.48 0.35 0.00 0.00 0.53 0.00 0.00 43.42 44.78 3f1g n LEU 90 CO 0.61 1.90 0.00 -2.65 -1.11 0.00 0.00 177.39 176.13 3f1g n PRO 91 N 2.36 3.31 0.00 1.96 -0.02 -1.26 -5.01 135.00 136.34 3f1g n PRO 91 Ca 0.27 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3f1g n PRO 91 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.95 3f1g n PRO 91 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3f1g n THR 92 N 0.00 0.00 0.47 3.45 5.66 -1.26 -4.91 114.28 117.69 3f1g n THR 92 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 3f1g n THR 92 Cb 0.00 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 68.84 3f1g n THR 92 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3f1g n GLY 93 N -0.03 2.43 3.88 1.09 0.00 -1.26 -4.89 105.19 106.40 3f1g n GLY 93 Ca 0.00 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 3f1g n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1g s VAL 94 N -0.97 3.27 -0.02 1.61 1.01 -1.26 -4.26 120.40 119.77 3f1g s VAL 94 Ca 0.14 -1.32 -0.01 0.00 0.00 0.00 0.00 61.98 60.79 3f1g s VAL 94 Cb 0.11 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.38 3f1g s VAL 94 CO 0.03 -0.11 0.03 -0.70 0.00 0.00 0.00 175.10 174.35 3f1g s GLU 95 N -4.06 -0.00 -0.03 2.72 2.56 0.41 -4.98 118.70 115.32 3f1g s GLU 95 Ca 0.44 0.13 -0.00 0.00 0.00 0.00 0.00 54.97 55.53 3f1g s GLU 95 Cb -0.05 -0.12 0.03 0.00 2.00 0.00 0.00 34.13 35.98 3f1g s GLU 95 CO 0.28 -0.09 0.03 0.96 -0.56 0.00 0.00 175.26 175.87 3f1g s ILE 96 N 0.59 -0.02 -0.07 -3.70 -0.00 -1.25 -1.17 121.20 115.57 3f1g s ILE 96 Ca -0.05 0.23 0.03 0.00 -0.00 0.00 0.00 60.65 60.86 3f1g s ILE 96 Cb -0.07 -0.13 0.01 0.00 -0.00 0.00 0.00 42.46 42.27 3f1g s ILE 96 CO -0.02 0.12 -0.15 -1.61 -0.00 0.00 0.00 174.94 173.28 3f1g s GLU 97 N 1.29 1.97 -0.19 0.37 0.41 -1.18 -4.95 118.70 116.42 3f1g s GLU 97 Ca -0.06 -0.51 -0.00 0.00 -0.41 0.00 0.00 54.97 53.98 3f1g s GLU 97 Cb -0.13 -1.59 0.05 0.00 -1.78 0.00 0.00 34.13 30.68 3f1g s GLU 97 CO -0.03 0.07 -0.05 0.42 -0.49 0.00 0.00 175.26 175.17 3f1g s ILE 98 N 0.57 1.25 0.34 -1.63 1.01 -1.26 -2.41 121.20 119.07 3f1g s ILE 98 Ca -0.15 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 59.75 3f1g s ILE 98 Cb -0.16 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 3f1g s ILE 98 CO 0.05 0.06 0.29 -0.54 0.00 0.00 0.00 174.94 174.80 3f1g s LYS 99 N 1.56 2.71 0.00 2.79 -0.14 -1.11 -4.95 119.74 120.59 3f1g s LYS 99 Ca -0.01 -1.31 0.26 0.00 -1.36 0.00 0.00 55.97 53.54 3f1g s LYS 99 Cb -0.16 -2.46 0.55 0.00 -1.68 0.00 0.00 37.83 34.07 3f1g s LYS 99 CO -0.07 0.09 1.46 0.25 -0.76 0.00 0.00 175.35 176.31