#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pf5 s VAL 2 N 0.00 5.23 0.10 1.61 1.01 -1.26 -1.71 120.40 125.38 2pf5 s VAL 2 Ca 0.00 0.47 -0.15 0.00 0.00 0.00 0.00 61.98 62.30 2pf5 s VAL 2 Cb 0.00 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.82 2pf5 s VAL 2 CO 0.00 0.50 0.37 -0.72 0.00 0.00 0.00 175.10 175.25 2pf5 s TYR 3 N -1.16 -0.16 0.01 5.22 -0.85 -0.48 -5.00 117.35 114.92 2pf5 s TYR 3 Ca 0.24 -0.11 -0.07 0.00 -0.52 0.00 0.00 57.07 56.60 2pf5 s TYR 3 Cb -0.14 0.20 -0.05 0.00 0.38 0.00 0.00 41.96 42.35 2pf5 s TYR 3 CO 0.12 -0.64 0.27 -1.58 -1.52 0.00 0.00 175.55 172.20 2pf5 s HIS 4 N -3.50 3.58 -0.01 -3.49 5.65 -1.26 -0.77 115.29 115.49 2pf5 s HIS 4 Ca 0.01 0.59 0.03 0.00 0.25 0.00 0.00 55.06 55.94 2pf5 s HIS 4 Cb 0.02 -2.00 -0.00 0.00 -1.18 0.00 0.00 32.58 29.41 2pf5 s HIS 4 CO -0.10 0.61 -0.09 1.03 -0.65 0.00 0.00 174.74 175.54 2pf5 s ARG 5 N -1.73 0.84 0.26 2.88 1.81 -0.16 -4.96 118.95 117.90 2pf5 s ARG 5 Ca 0.27 -0.32 0.11 0.00 -1.72 0.00 0.00 55.73 54.07 2pf5 s ARG 5 Cb -0.13 -0.80 -0.05 0.00 -0.45 0.00 0.00 34.95 33.52 2pf5 s ARG 5 CO 0.16 0.17 -0.15 -1.83 -0.68 0.00 0.00 175.30 172.97 2pf5 s GLU 6 N -0.05 1.85 0.68 3.54 -1.05 -1.26 -1.25 118.70 121.16 2pf5 s GLU 6 Ca 0.01 -1.63 -0.17 0.00 -0.15 0.00 0.00 54.97 53.03 2pf5 s GLU 6 Cb -0.06 -1.90 0.01 0.00 -0.44 0.00 0.00 34.13 31.74 2pf5 s GLU 6 CO -0.00 0.35 1.26 0.00 0.95 0.00 0.00 175.26 177.82 2pf5 s ALA 7 N -2.35 2.25 0.36 -0.84 0.00 -1.22 -4.88 121.76 115.08 2pf5 s ALA 7 Ca 0.29 1.10 0.13 0.00 0.00 0.00 0.00 51.96 53.48 2pf5 s ALA 7 Cb -0.06 -3.53 0.95 0.00 0.00 0.00 0.00 23.12 20.48 2pf5 s ALA 7 CO 0.16 -1.74 1.78 0.00 0.00 0.00 0.00 175.76 175.96 2pf5 h ARG 8 N 0.20 0.53 0.00 0.00 3.08 -2.00 0.74 114.38 116.93 2pf5 h ARG 8 Ca -0.50 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.52 2pf5 h ARG 8 Cb 1.32 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2pf5 h ARG 8 CO 0.51 0.35 0.00 -1.13 -1.07 0.00 0.00 179.97 178.63 2pf5 n SER 9 N -4.70 0.00 0.00 7.04 3.41 -1.26 -5.00 113.62 113.11 2pf5 n SER 9 Ca 0.24 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 2pf5 n SER 9 Cb 0.74 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 2pf5 n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pf5 n GLY 10 N 0.72 0.48 3.76 5.00 0.00 0.25 -5.06 105.19 110.34 2pf5 n GLY 10 Ca 0.07 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 2pf5 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pf5 s LYS 11 N -0.21 4.41 -1.18 1.61 2.20 -1.26 -3.37 119.74 121.94 2pf5 s LYS 11 Ca 0.00 2.11 -0.10 0.00 -0.36 0.00 0.00 55.97 57.62 2pf5 s LYS 11 Cb 0.00 -3.12 -0.02 0.00 -1.51 0.00 0.00 37.83 33.18 2pf5 s LYS 11 CO 0.00 -0.14 0.79 0.66 -0.36 0.00 0.00 175.35 176.29 2pf5 n TYR 12 N 1.35 -2.04 -1.60 4.03 4.01 -1.26 -4.94 117.16 116.72 2pf5 n TYR 12 Ca 0.01 0.68 0.04 0.00 -0.16 0.00 0.00 57.90 58.47 2pf5 n TYR 12 Cb 0.42 -3.91 0.06 0.00 -0.31 0.00 0.00 39.34 35.60 2pf5 n TYR 12 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2pf5 n LYS 13 N -3.99 0.55 -4.75 -0.72 5.02 -1.11 -4.29 118.16 108.87 2pf5 n LYS 13 Ca -0.16 -1.66 -0.33 0.00 -2.02 0.00 0.00 58.31 54.14 2pf5 n LYS 13 Cb 0.63 -0.92 -0.16 0.00 -0.02 0.00 0.00 35.03 34.56 2pf5 n LYS 13 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2pf5 s LEU 14 N -1.21 2.36 0.97 -0.35 1.43 -0.13 -4.81 118.68 116.94 2pf5 s LEU 14 Ca 0.13 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 2pf5 s LEU 14 Cb 0.12 -1.52 0.17 0.00 0.03 0.00 0.00 46.19 44.99 2pf5 s LEU 14 CO 0.01 0.11 1.09 -0.89 0.23 0.00 0.00 176.35 176.91 2pf5 s THR 15 N 0.63 2.30 0.18 5.49 2.01 -1.25 -0.73 115.64 124.27 2pf5 s THR 15 Ca -0.10 0.10 -0.13 0.00 0.31 0.00 0.00 61.69 61.88 2pf5 s THR 15 Cb -0.16 -2.56 0.09 0.00 0.01 0.00 0.00 72.50 69.88 2pf5 s THR 15 CO 0.03 -0.13 1.83 0.22 -0.69 0.00 0.00 174.62 175.88 2pf5 h TYR 16 N -1.79 0.78 -0.81 4.92 3.20 -1.52 0.13 116.97 121.88 2pf5 h TYR 16 Ca -0.53 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.32 2pf5 h TYR 16 Cb 1.31 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 39.28 2pf5 h TYR 16 CO 0.34 0.52 0.38 0.00 -1.64 0.00 0.00 178.16 177.76 2pf5 h ALA 17 N 1.20 1.04 -0.22 1.82 0.00 -1.94 0.20 119.26 121.36 2pf5 h ALA 17 Ca 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2pf5 h ALA 17 Cb -0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 2pf5 h ALA 17 CO -0.04 0.62 0.04 0.93 0.00 0.00 0.00 179.25 180.80 2pf5 h GLU 18 N 1.15 0.36 -0.05 0.00 5.08 -1.84 -2.01 114.58 117.28 2pf5 h GLU 18 Ca 0.28 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2pf5 h GLU 18 Cb 0.14 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2pf5 h GLU 18 CO -0.03 0.50 -0.03 0.00 -1.00 0.00 0.00 179.01 178.45 2pf5 h ALA 19 N 0.85 0.01 -0.48 3.43 0.00 -0.54 0.12 119.26 122.66 2pf5 h ALA 19 Ca 0.07 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2pf5 h ALA 19 Cb 0.31 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 2pf5 h ALA 19 CO 0.00 -0.51 0.09 -0.22 0.00 0.00 0.00 179.25 178.61 2pf5 h LYS 20 N -0.03 0.22 -0.28 0.00 3.64 -0.96 -1.79 116.57 117.36 2pf5 h LYS 20 Ca 0.03 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 2pf5 h LYS 20 Cb 0.08 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2pf5 h LYS 20 CO -0.07 0.14 -0.20 0.00 -2.27 0.00 0.00 179.45 177.06 2pf5 h ALA 21 N 1.37 1.14 -0.14 5.00 0.00 -1.02 -0.97 119.26 124.63 2pf5 h ALA 21 Ca 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2pf5 h ALA 21 Cb 0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2pf5 h ALA 21 CO -0.31 0.54 0.04 0.28 0.00 0.00 0.00 179.25 179.80 2pf5 h VAL 22 N 0.46 1.18 -0.72 0.00 2.07 -0.62 0.29 116.25 118.92 2pf5 h VAL 22 Ca 0.08 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 2pf5 h VAL 22 Cb 0.60 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 2pf5 h VAL 22 CO 0.04 0.17 0.38 0.00 0.02 0.00 0.00 177.57 178.18 2pf5 h GLU 24 N 0.99 1.02 -0.78 0.00 5.08 -1.12 -0.60 114.58 119.17 2pf5 h GLU 24 Ca 0.25 -0.41 0.13 0.00 -1.00 0.00 0.00 59.36 58.33 2pf5 h GLU 24 Cb 0.06 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.17 2pf5 h GLU 24 CO -0.04 1.10 0.36 0.35 -1.00 0.00 0.00 179.01 179.78 2pf5 h PHE 25 N 0.89 0.62 -0.01 4.33 3.57 -0.16 -1.06 116.94 125.12 2pf5 h PHE 25 Ca 0.13 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2pf5 h PHE 25 Cb 0.74 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.33 2pf5 h PHE 25 CO 0.05 0.13 0.00 0.39 -2.23 0.00 0.00 178.31 176.65 2pf5 n GLU 26 N -4.93 1.05 -0.25 1.11 1.02 -0.96 -4.87 120.64 112.82 2pf5 n GLU 26 Ca 0.15 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2pf5 n GLU 26 Cb 0.40 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 2pf5 n GLU 26 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pf5 n GLY 27 N 0.78 0.87 0.00 0.62 0.00 -0.40 -5.04 105.19 102.02 2pf5 n GLY 27 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2pf5 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pf5 n GLY 28 N -2.25 5.26 3.23 -0.02 0.00 -0.25 -4.96 105.19 106.20 2pf5 n GLY 28 Ca 0.00 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.46 2pf5 n GLY 28 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2pf5 s HIS 29 N 1.56 0.23 0.24 1.61 3.76 -0.61 -3.42 115.29 118.67 2pf5 s HIS 29 Ca 0.00 -0.65 -0.31 0.00 -0.15 0.00 0.00 55.06 53.95 2pf5 s HIS 29 Cb 0.00 -0.08 -0.14 0.00 1.11 0.00 0.00 32.58 33.48 2pf5 s HIS 29 CO 0.00 -0.58 1.31 1.28 -0.85 0.00 0.00 174.74 175.90 2pf5 n LEU 30 N -0.09 2.73 -4.77 0.89 4.77 -1.26 0.52 117.00 119.79 2pf5 n LEU 30 Ca -0.13 1.15 -0.40 0.00 -0.03 0.00 0.00 56.01 56.60 2pf5 n LEU 30 Cb 0.63 -1.38 -0.02 0.00 -2.33 0.00 0.00 43.42 40.31 2pf5 n LEU 30 CO 0.23 -0.73 0.94 0.00 -1.33 0.00 0.00 177.39 176.50 2pf5 s ALA 31 N -0.28 3.44 0.75 -1.18 0.00 0.18 -4.17 121.76 120.49 2pf5 s ALA 31 Ca 0.67 1.18 -0.11 0.00 0.00 0.00 0.00 51.96 53.70 2pf5 s ALA 31 Cb -0.68 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 19.03 2pf5 s ALA 31 CO 0.52 -0.57 1.08 0.95 0.00 0.00 0.00 175.76 177.74 2pf5 s THR 32 N -1.18 3.53 0.23 0.00 -4.23 -1.26 -0.37 115.64 112.36 2pf5 s THR 32 Ca 0.50 0.50 -0.06 0.00 -1.18 0.00 0.00 61.69 61.44 2pf5 s THR 32 Cb -0.38 -3.11 0.19 0.00 1.34 0.00 0.00 72.50 70.54 2pf5 s THR 32 CO 0.50 -0.65 1.78 0.22 -0.54 0.00 0.00 174.62 175.93 2pf5 h TYR 33 N -1.00 0.69 -0.45 3.99 3.20 -1.95 -0.62 116.97 120.83 2pf5 h TYR 33 Ca -0.45 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.42 2pf5 h TYR 33 Cb 1.23 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 2pf5 h TYR 33 CO 0.57 0.25 0.12 0.87 -1.64 0.00 0.00 178.16 178.33 2pf5 h LYS 34 N 0.64 0.67 -0.12 1.82 1.57 -1.99 0.10 116.57 119.27 2pf5 h LYS 34 Ca 0.37 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.96 2pf5 h LYS 34 Cb 0.39 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2pf5 h LYS 34 CO -0.27 0.61 -0.22 1.96 -0.57 0.00 0.00 179.45 180.95 2pf5 h GLN 35 N 0.66 0.36 -0.67 3.15 4.20 -1.81 -1.03 115.11 119.96 2pf5 h GLN 35 Ca 0.15 -0.23 0.03 0.00 0.06 0.00 0.00 58.65 58.67 2pf5 h GLN 35 Cb 0.23 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 2pf5 h GLN 35 CO -0.01 0.82 0.41 1.25 -0.67 0.00 0.00 178.83 180.64 2pf5 h LEU 36 N -0.06 0.67 -0.70 1.46 5.85 -0.91 -0.59 115.31 121.04 2pf5 h LEU 36 Ca 0.01 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 2pf5 h LEU 36 Cb 0.80 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 2pf5 h LEU 36 CO 0.05 0.46 0.31 -0.08 -0.34 0.00 0.00 178.44 178.84 2pf5 h GLU 37 N 0.80 1.02 -0.46 1.25 4.57 -0.77 -0.75 114.58 120.24 2pf5 h GLU 37 Ca 0.27 -0.17 -0.05 0.00 -1.18 0.00 0.00 59.36 58.24 2pf5 h GLU 37 Cb 0.04 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 2pf5 h GLU 37 CO -0.12 0.83 0.11 0.00 -1.18 0.00 0.00 179.01 178.65 2pf5 h ALA 38 N 1.15 0.61 -0.63 2.92 0.00 -0.98 -0.54 119.26 121.79 2pf5 h ALA 38 Ca 0.24 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2pf5 h ALA 38 Cb 0.16 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2pf5 h ALA 38 CO -0.03 0.30 0.37 0.00 0.00 0.00 0.00 179.25 179.89 2pf5 h ALA 39 N 0.97 0.82 -0.70 0.00 0.00 -0.87 -2.52 119.26 116.97 2pf5 h ALA 39 Ca 0.14 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2pf5 h ALA 39 Cb 0.33 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2pf5 h ALA 39 CO 0.00 0.07 0.22 -0.09 0.00 0.00 0.00 179.25 179.46 2pf5 h ARG 40 N 0.70 1.09 0.00 0.00 2.43 -0.91 -0.93 114.38 116.76 2pf5 h ARG 40 Ca 0.27 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2pf5 h ARG 40 Cb 0.10 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2pf5 h ARG 40 CO -0.14 0.94 -0.01 0.87 -1.51 0.00 0.00 179.97 180.12 2pf5 h LYS 41 N 1.03 0.00 -0.38 0.20 1.57 -0.67 -2.08 116.57 116.25 2pf5 h LYS 41 Ca 0.23 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.85 2pf5 h LYS 41 Cb 0.30 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.51 2pf5 h LYS 41 CO -0.01 0.01 -0.00 0.44 -0.57 0.00 0.00 179.45 179.32 2pf5 n ILE 42 N -3.85 2.54 0.00 1.86 -5.35 -0.84 -4.94 119.36 108.77 2pf5 n ILE 42 Ca -0.03 -2.47 0.00 0.00 -0.27 0.00 0.00 62.75 59.98 2pf5 n ILE 42 Cb 0.10 -0.32 0.00 0.00 -1.74 0.00 0.00 39.64 37.68 2pf5 n ILE 42 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pf5 n GLY 43 N -0.98 0.88 3.61 3.28 0.00 -0.78 -5.06 105.19 106.15 2pf5 n GLY 43 Ca 0.32 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 2pf5 n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2pf5 s PHE 44 N -2.00 2.46 -0.11 1.61 5.36 -0.41 -4.97 117.98 119.92 2pf5 s PHE 44 Ca 0.00 0.73 -0.01 0.00 -0.96 0.00 0.00 56.93 56.69 2pf5 s PHE 44 Cb 0.00 -4.16 0.03 0.00 -0.34 0.00 0.00 43.02 38.55 2pf5 s PHE 44 CO 0.00 -1.97 -0.04 -1.58 -1.46 0.00 0.00 175.22 170.18 2pf5 s HIS 45 N 5.11 1.17 -0.03 10.12 5.65 -1.26 -4.13 115.29 131.91 2pf5 s HIS 45 Ca 0.60 -0.57 -0.01 0.00 0.25 0.00 0.00 55.06 55.33 2pf5 s HIS 45 Cb -0.15 -1.07 0.03 0.00 -1.18 0.00 0.00 32.58 30.21 2pf5 s HIS 45 CO 0.29 -0.46 0.04 0.08 -0.65 0.00 0.00 174.74 174.04 2pf5 s VAL 46 N 1.81 -0.04 -1.41 0.89 1.01 -0.98 -5.03 120.40 116.65 2pf5 s VAL 46 Ca 0.04 0.29 -0.10 0.00 0.00 0.00 0.00 61.98 62.21 2pf5 s VAL 46 Cb -0.13 -0.15 0.07 0.00 0.00 0.00 0.00 36.38 36.17 2pf5 s VAL 46 CO -0.07 0.14 2.29 0.00 0.00 0.00 0.00 175.10 177.46 2pf5 s ALA 48 N 1.34 -1.94 0.14 0.00 0.00 -1.26 -5.13 121.76 114.92 2pf5 s ALA 48 Ca 0.50 2.27 -0.30 0.00 0.00 0.00 0.00 51.96 54.43 2pf5 s ALA 48 Cb 0.14 -1.43 -0.07 0.00 0.00 0.00 0.00 23.12 21.76 2pf5 s ALA 48 CO -0.06 -0.36 1.18 0.00 0.00 0.00 0.00 175.76 176.53 2pf5 s ALA 49 N 1.23 3.41 0.02 0.00 0.00 -1.26 -4.42 121.76 120.74 2pf5 s ALA 49 Ca -0.07 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.79 2pf5 s ALA 49 Cb -0.05 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 2pf5 s ALA 49 CO -0.14 -0.36 -0.03 0.20 0.00 0.00 0.00 175.76 175.43 2pf5 s GLY 50 N 0.38 0.24 0.47 0.00 0.00 0.00 -1.52 107.32 106.89 2pf5 s GLY 50 Ca 0.54 -0.55 -0.24 0.00 0.00 0.00 0.00 44.72 44.47 2pf5 s GLY 50 CO 0.34 -0.62 1.22 0.79 0.00 0.00 0.00 173.10 174.83 2pf5 n TRP 51 N 1.71 1.89 -4.28 1.90 7.02 0.34 -1.28 117.44 124.74 2pf5 n TRP 51 Ca -0.23 0.48 -0.18 0.00 -1.02 0.00 0.00 57.50 56.56 2pf5 n TRP 51 Cb 0.55 -2.33 -0.09 0.00 -2.42 0.00 0.00 31.31 27.03 2pf5 n TRP 51 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 2pf5 s MET 52 N -2.40 1.61 0.36 -0.99 -1.94 -0.04 -1.17 119.30 114.73 2pf5 s MET 52 Ca 0.65 -1.92 -0.25 0.00 -1.71 0.00 0.00 55.69 52.46 2pf5 s MET 52 Cb -0.48 0.21 -0.13 0.00 2.01 0.00 0.00 34.83 36.44 2pf5 s MET 52 CO 0.55 -0.55 0.88 0.00 -0.01 0.00 0.00 175.02 175.89 2pf5 n ALA 53 N -0.55 -0.49 -1.09 3.03 0.00 0.50 -2.33 120.51 119.60 2pf5 n ALA 53 Ca 0.05 0.28 -0.03 0.00 0.00 0.00 0.00 53.44 53.74 2pf5 n ALA 53 Cb 0.64 -1.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.11 2pf5 n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pf5 n LYS 54 N 0.50 -0.69 -1.05 0.00 4.76 -1.26 -2.96 118.16 117.46 2pf5 n LYS 54 Ca 0.10 0.41 -0.02 0.00 -2.87 0.00 0.00 58.31 55.94 2pf5 n LYS 54 Cb 0.36 -4.08 -0.01 0.00 -1.84 0.00 0.00 35.03 29.46 2pf5 n LYS 54 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pf5 n GLY 55 N -1.66 0.52 3.76 0.72 0.00 -0.98 -4.83 105.19 102.72 2pf5 n GLY 55 Ca -0.03 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 2pf5 n GLY 55 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pf5 s ARG 56 N -1.18 2.87 -0.04 1.61 3.52 -1.15 -1.84 118.95 122.73 2pf5 s ARG 56 Ca 0.00 1.64 0.06 0.00 -0.13 0.00 0.00 55.73 57.29 2pf5 s ARG 56 Cb 0.00 -1.94 -0.01 0.00 -1.56 0.00 0.00 34.95 31.44 2pf5 s ARG 56 CO 0.00 -1.24 -0.21 0.08 -0.81 0.00 0.00 175.30 173.12 2pf5 s VAL 57 N -1.92 1.70 0.16 7.11 1.01 -0.53 -0.86 120.40 127.08 2pf5 s VAL 57 Ca 0.73 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 61.68 2pf5 s VAL 57 Cb -0.26 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.70 2pf5 s VAL 57 CO 0.36 0.48 0.40 -0.83 0.00 0.00 0.00 175.10 175.51 2pf5 s GLY 58 N -0.22 0.03 -0.16 4.51 0.00 -0.41 -0.95 107.32 110.12 2pf5 s GLY 58 Ca 0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 44.72 44.29 2pf5 s GLY 58 CO 0.01 -0.47 0.07 -0.47 0.00 0.00 0.00 173.10 172.24 2pf5 s TYR 59 N -3.88 0.37 -0.26 1.90 6.04 -0.92 -0.82 117.35 119.79 2pf5 s TYR 59 Ca 0.09 -0.37 -0.24 0.00 0.04 0.00 0.00 57.07 56.59 2pf5 s TYR 59 Cb 0.01 -0.75 -0.00 0.00 -1.04 0.00 0.00 41.96 40.18 2pf5 s TYR 59 CO -0.05 -0.50 0.81 -1.25 -1.54 0.00 0.00 175.55 173.02 2pf5 s PRO 60 N 2.08 4.13 -0.22 4.97 0.04 -1.25 -0.13 135.00 144.62 2pf5 s PRO 60 Ca 0.02 0.84 -0.02 0.00 0.04 0.00 0.00 61.00 61.87 2pf5 s PRO 60 Cb -0.16 -3.67 0.01 0.00 0.04 0.00 0.00 34.50 30.73 2pf5 s PRO 60 CO -0.08 -0.55 -0.09 0.42 0.04 0.00 0.00 177.00 176.74 2pf5 s ILE 61 N 2.86 2.92 0.00 0.56 1.01 -0.58 -2.30 121.20 125.67 2pf5 s ILE 61 Ca 0.34 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 60.15 2pf5 s ILE 61 Cb -0.15 -2.35 -0.30 0.00 0.01 0.00 0.00 42.46 39.66 2pf5 s ILE 61 CO 0.09 0.39 0.86 -0.37 0.00 0.00 0.00 174.94 175.90 2pf5 h VAL 62 N 5.89 1.15 0.00 2.92 -1.51 -1.86 -0.56 116.25 122.28 2pf5 h VAL 62 Ca -0.40 -2.72 0.00 0.00 -1.23 0.00 0.00 66.70 62.35 2pf5 h VAL 62 Cb 1.14 2.84 0.00 0.00 -2.13 0.00 0.00 31.29 33.14 2pf5 h VAL 62 CO 0.60 0.84 0.00 0.29 -1.23 0.00 0.00 177.57 178.07 2pf5 n LYS 63 N -3.56 0.00 0.00 5.19 4.01 -1.26 -4.83 118.16 117.71 2pf5 n LYS 63 Ca -0.18 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.62 2pf5 n LYS 63 Cb 1.07 -0.47 0.00 0.00 -0.51 0.00 0.00 35.03 35.11 2pf5 n LYS 63 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 2pf5 n ASN 67 N -1.51 0.00 0.00 4.39 2.04 -1.26 -4.91 115.26 114.01 2pf5 n ASN 67 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 2pf5 n ASN 67 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 2pf5 n ASN 67 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2pf5 s GLY 69 N -1.97 1.59 0.78 0.00 0.00 -1.26 -5.05 107.32 101.41 2pf5 s GLY 69 Ca 0.00 -2.22 -0.11 0.00 0.00 0.00 0.00 44.72 42.39 2pf5 s GLY 69 CO 0.00 2.05 1.09 -1.36 0.00 0.00 0.00 173.10 174.88 2pf5 s PHE 70 N 3.53 2.86 0.00 1.90 0.40 -0.38 -5.05 117.98 121.24 2pf5 s PHE 70 Ca 0.27 1.20 0.00 0.00 -0.60 0.00 0.00 56.93 57.80 2pf5 s PHE 70 Cb -0.12 -3.08 0.00 0.00 0.51 0.00 0.00 43.02 40.33 2pf5 s PHE 70 CO 0.02 -1.70 0.00 0.41 0.70 0.00 0.00 175.22 174.65 2pf5 n GLY 71 N -2.05 1.24 3.30 4.36 0.00 -1.26 -4.56 105.19 106.23 2pf5 n GLY 71 Ca 0.07 -0.85 -0.16 0.00 0.00 0.00 0.00 46.02 45.08 2pf5 n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pf5 s LYS 72 N 0.00 1.60 0.51 1.61 -2.85 -1.26 -5.14 119.74 114.20 2pf5 s LYS 72 Ca 0.00 -1.82 0.01 0.00 -1.00 0.00 0.00 55.97 53.16 2pf5 s LYS 72 Cb 0.00 0.33 -0.00 0.00 -2.06 0.00 0.00 37.83 36.10 2pf5 s LYS 72 CO 0.00 -0.59 0.03 0.95 0.10 0.00 0.00 175.35 175.84 2pf5 s THR 73 N -3.64 0.90 0.00 3.79 -4.23 -1.26 -4.81 115.64 106.39 2pf5 s THR 73 Ca 0.38 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 2pf5 s THR 73 Cb 0.03 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.80 2pf5 s THR 73 CO 0.21 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 2pf5 n GLY 74 N -1.23 -2.52 3.68 3.99 0.00 -0.22 -4.89 105.19 103.99 2pf5 n GLY 74 Ca -0.18 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.28 2pf5 n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pf5 s ILE 75 N -0.54 4.15 -0.19 -0.61 1.01 -1.26 -1.52 121.20 122.23 2pf5 s ILE 75 Ca 0.00 1.44 -0.28 0.00 0.00 0.00 0.00 60.65 61.81 2pf5 s ILE 75 Cb 0.00 -3.93 -0.00 0.00 0.01 0.00 0.00 42.46 38.54 2pf5 s ILE 75 CO 0.00 -0.06 0.97 -0.63 0.00 0.00 0.00 174.94 175.22 2pf5 s ILE 76 N 2.85 4.76 -0.42 2.92 -1.09 0.82 -4.88 121.20 126.15 2pf5 s ILE 76 Ca 0.58 1.91 -0.23 0.00 -2.23 0.00 0.00 60.65 60.68 2pf5 s ILE 76 Cb -0.25 -4.26 0.02 0.00 -1.58 0.00 0.00 42.46 36.39 2pf5 s ILE 76 CO 0.20 -0.09 0.77 -0.62 -1.23 0.00 0.00 174.94 173.97 2pf5 s ASP 77 N 1.19 6.45 0.00 3.58 2.15 -1.26 -2.15 116.67 126.62 2pf5 s ASP 77 Ca 0.43 0.02 0.28 0.00 0.43 0.00 0.00 52.55 53.71 2pf5 s ASP 77 Cb -0.16 -2.38 1.10 0.00 -0.30 0.00 0.00 42.92 41.18 2pf5 s ASP 77 CO 0.10 -0.84 1.78 -1.22 -0.17 0.00 0.00 175.17 174.82 2pf5 n TYR 78 N 6.59 0.00 0.00 -5.34 4.02 -0.13 -5.02 117.16 117.28 2pf5 n TYR 78 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 2pf5 n TYR 78 Cb 0.48 -0.16 0.00 0.00 -0.02 0.00 0.00 39.34 39.64 2pf5 n TYR 78 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2pf5 n GLY 79 N 1.29 -0.38 3.66 2.72 0.00 -1.20 -4.75 105.19 106.53 2pf5 n GLY 79 Ca 0.14 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 2pf5 n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pf5 s ILE 80 N -2.08 4.23 -0.08 -0.61 1.01 -1.26 -1.45 121.20 120.95 2pf5 s ILE 80 Ca 0.00 1.49 -0.20 0.00 0.00 0.00 0.00 60.65 61.94 2pf5 s ILE 80 Cb 0.00 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 2pf5 s ILE 80 CO 0.00 -0.12 0.58 -0.13 0.00 0.00 0.00 174.94 175.27 2pf5 s ARG 81 N 3.41 4.37 0.13 2.79 1.81 -0.77 -4.94 118.95 125.75 2pf5 s ARG 81 Ca 0.56 0.66 -0.14 0.00 -1.72 0.00 0.00 55.73 55.09 2pf5 s ARG 81 Cb -0.23 -3.42 -0.01 0.00 -0.45 0.00 0.00 34.95 30.84 2pf5 s ARG 81 CO 0.16 0.17 1.59 1.25 -0.68 0.00 0.00 175.30 177.79 2pf5 h LEU 82 N 6.50 0.72 -8.27 2.53 5.85 -1.93 -3.39 115.31 117.32 2pf5 h LEU 82 Ca -0.42 -0.30 -0.67 0.00 0.84 0.00 0.00 57.88 57.33 2pf5 h LEU 82 Cb 1.19 -0.19 -0.17 0.00 0.37 0.00 0.00 40.66 41.85 2pf5 h LEU 82 CO 0.74 0.84 0.26 0.21 -0.34 0.00 0.00 178.44 180.15 2pf5 s ASN 83 N -6.22 6.20 0.00 1.25 2.47 -1.26 -4.90 114.94 112.48 2pf5 s ASN 83 Ca -0.13 -1.10 0.28 0.00 0.42 0.00 0.00 52.86 52.34 2pf5 s ASN 83 Cb 0.10 -2.34 1.60 0.00 -1.45 0.00 0.00 41.25 39.16 2pf5 s ASN 83 CO 0.80 -1.16 2.00 0.54 -3.72 0.00 0.00 177.10 175.56 2pf5 n ARG 84 N 6.77 0.75 -0.03 0.43 5.12 -1.26 -2.43 116.66 126.01 2pf5 n ARG 84 Ca -0.06 0.01 0.13 0.00 -1.93 0.00 0.00 57.85 55.99 2pf5 n ARG 84 Cb 0.44 -1.50 0.43 0.00 -1.16 0.00 0.00 32.46 30.67 2pf5 n ARG 84 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2pf5 n SER 85 N -1.08 1.79 -4.65 0.55 7.64 -1.26 -1.85 113.62 114.76 2pf5 n SER 85 Ca 0.19 -1.63 -0.37 0.00 1.01 0.00 0.00 58.87 58.07 2pf5 n SER 85 Cb 0.13 -0.04 0.06 0.00 -1.01 0.00 0.00 64.21 63.35 2pf5 n SER 85 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2pf5 n GLU 86 N 0.40 0.97 -3.84 1.43 1.02 -1.02 -4.78 120.64 114.82 2pf5 n GLU 86 Ca 0.18 0.38 -0.36 0.00 -0.02 0.00 0.00 57.16 57.34 2pf5 n GLU 86 Cb 0.39 -2.29 -0.13 0.00 -0.02 0.00 0.00 31.44 29.39 2pf5 n GLU 86 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2pf5 s ARG 87 N -2.96 3.22 0.00 3.49 0.52 -1.26 -3.85 118.95 118.12 2pf5 s ARG 87 Ca 0.78 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 55.24 2pf5 s ARG 87 Cb -0.40 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 31.87 2pf5 s ARG 87 CO 0.45 -0.32 0.00 0.91 0.02 0.00 0.00 175.30 176.35 2pf5 n TRP 88 N 4.82 0.00 -1.25 -0.53 7.02 0.09 -4.49 117.44 123.10 2pf5 n TRP 88 Ca -0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.32 2pf5 n TRP 88 Cb 0.49 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.38 2pf5 n TRP 88 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 2pf5 n ASP 89 N -1.94 0.00 -3.86 -0.99 8.00 -0.58 -0.96 116.55 116.23 2pf5 n ASP 89 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 2pf5 n ASP 89 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 2pf5 n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pf5 s ALA 90 N -2.75 -0.15 -0.24 2.24 0.00 -0.38 -0.50 121.76 119.98 2pf5 s ALA 90 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 51.96 52.02 2pf5 s ALA 90 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.04 2pf5 s ALA 90 CO 0.00 -0.05 -0.02 0.71 0.00 0.00 0.00 175.76 176.40 2pf5 s TYR 91 N -0.16 3.02 0.08 0.00 1.51 -0.32 -0.99 117.35 120.50 2pf5 s TYR 91 Ca -0.02 -1.01 0.04 0.00 -1.01 0.00 0.00 57.07 55.07 2pf5 s TYR 91 Cb -0.02 -2.13 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 2pf5 s TYR 91 CO 0.00 -0.57 0.05 0.00 -1.11 0.00 0.00 175.55 173.92 2pf5 s TYR 93 N -1.36 2.55 -0.21 0.00 5.04 0.19 -1.39 117.35 122.17 2pf5 s TYR 93 Ca 0.28 -1.30 -0.04 0.00 -2.44 0.00 0.00 57.07 53.57 2pf5 s TYR 93 Cb -0.12 -1.75 0.08 0.00 0.35 0.00 0.00 41.96 40.52 2pf5 s TYR 93 CO 0.21 -0.61 0.15 1.21 -1.34 0.00 0.00 175.55 175.16 2pf5 s ASN 94 N 0.89 2.29 0.54 4.32 3.84 -0.69 -1.57 114.94 124.57 2pf5 s ASN 94 Ca -0.06 -0.66 0.25 0.00 0.21 0.00 0.00 52.86 52.60 2pf5 s ASN 94 Cb -0.15 -0.05 1.42 0.00 -0.55 0.00 0.00 41.25 41.91 2pf5 s ASN 94 CO -0.03 -0.37 2.03 1.55 -2.79 0.00 0.00 177.10 177.49 2pf5 h PRO 95 N 8.38 0.00 0.00 0.43 0.13 -1.94 0.59 132.00 139.59 2pf5 h PRO 95 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2pf5 h PRO 95 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2pf5 h PRO 95 CO 0.32 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.81