#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 4.99 0.09 1.61 1.01 -1.26 -1.17 120.40 125.67 2pf5 s VAL 2 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 2pf5 s VAL 2 Cb 0.00 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 2pf5 s VAL 2 CO 0.00 0.59 0.15 -0.72 0.00 0.00 0.00 175.10 175.12 2pf5 s TYR 3 N -0.99 0.24 -0.01 5.22 -0.85 -0.04 -4.99 117.35 115.92 2pf5 s TYR 3 Ca 0.15 -0.69 -0.13 0.00 -0.52 0.00 0.00 57.07 55.89 2pf5 s TYR 3 Cb -0.12 -0.12 -0.05 0.00 0.38 0.00 0.00 41.96 42.05 2pf5 s TYR 3 CO 0.04 -0.52 0.35 -1.58 -1.52 0.00 0.00 175.55 172.32 2pf5 s HIS 4 N -3.88 3.69 -0.05 -3.49 5.65 -1.26 -0.89 115.29 115.06 2pf5 s HIS 4 Ca 0.06 0.87 0.02 0.00 0.25 0.00 0.00 55.06 56.26 2pf5 s HIS 4 Cb 0.05 -2.20 0.01 0.00 -1.18 0.00 0.00 32.58 29.27 2pf5 s HIS 4 CO -0.10 0.65 -0.08 1.03 -0.65 0.00 0.00 174.74 175.59 2pf5 s ARG 5 N -1.18 1.16 0.23 2.88 1.81 -0.04 -4.96 118.95 118.86 2pf5 s ARG 5 Ca 0.23 -0.26 0.09 0.00 -1.72 0.00 0.00 55.73 54.07 2pf5 s ARG 5 Cb -0.15 -1.04 -0.04 0.00 -0.45 0.00 0.00 34.95 33.26 2pf5 s ARG 5 CO 0.12 0.00 -0.04 -1.83 -0.68 0.00 0.00 175.30 172.88 2pf5 s GLU 6 N 0.65 2.22 0.64 3.54 -1.05 -1.26 -1.41 118.70 122.03 2pf5 s GLU 6 Ca -0.11 -1.35 -0.17 0.00 -0.15 0.00 0.00 54.97 53.19 2pf5 s GLU 6 Cb -0.14 -2.17 -0.04 0.00 -0.44 0.00 0.00 34.13 31.34 2pf5 s GLU 6 CO 0.02 0.39 0.79 0.00 0.95 0.00 0.00 175.26 177.41 2pf5 n ALA 7 N -0.54 -0.49 0.11 -0.84 0.00 -1.22 -4.87 120.51 112.66 2pf5 n ALA 7 Ca -0.08 -0.09 0.16 0.00 0.00 0.00 0.00 53.44 53.43 2pf5 n ALA 7 Cb 0.58 -2.01 0.69 0.00 0.00 0.00 0.00 19.45 18.71 2pf5 n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pf5 h ARG 8 N 0.11 0.00 0.00 0.00 3.08 -1.99 -1.79 114.38 113.78 2pf5 h ARG 8 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2pf5 h ARG 8 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 2pf5 h ARG 8 CO 0.48 0.00 -0.44 -1.13 -1.07 0.00 0.00 179.97 177.81 2pf5 n SER 9 N -4.38 0.64 0.00 7.04 3.41 -1.26 -5.00 113.62 114.06 2pf5 n SER 9 Ca 0.05 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 2pf5 n SER 9 Cb 0.41 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 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 1.37 0.73 3.74 5.00 0.00 -0.68 -5.07 105.19 110.28 2pf5 n GLY 10 Ca 0.04 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.65 4.45 -1.17 1.61 2.20 -1.26 -3.38 119.74 120.54 2pf5 s LYS 11 Ca 0.00 1.98 -0.08 0.00 -0.36 0.00 0.00 55.97 57.51 2pf5 s LYS 11 Cb 0.00 -3.20 -0.02 0.00 -1.51 0.00 0.00 37.83 33.10 2pf5 s LYS 11 CO 0.00 -0.14 0.82 0.66 -0.36 0.00 0.00 175.35 176.33 2pf5 n TYR 12 N 2.27 -2.10 -0.87 4.03 4.01 -1.26 -4.95 117.16 118.29 2pf5 n TYR 12 Ca 0.04 0.75 0.03 0.00 -0.16 0.00 0.00 57.90 58.56 2pf5 n TYR 12 Cb 0.44 -4.11 0.04 0.00 -0.31 0.00 0.00 39.34 35.39 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 -3.92 1.38 -4.67 -0.72 4.76 -1.11 -4.28 118.16 109.59 2pf5 n LYS 13 Ca -0.17 -1.56 -0.33 0.00 -2.87 0.00 0.00 58.31 53.38 2pf5 n LYS 13 Cb 0.64 -0.97 -0.15 0.00 -1.84 0.00 0.00 35.03 32.70 2pf5 n LYS 13 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2pf5 s LEU 14 N -1.22 2.47 0.93 -0.35 1.43 -0.19 -4.85 118.68 116.89 2pf5 s LEU 14 Ca 0.10 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 2pf5 s LEU 14 Cb 0.09 -1.55 0.15 0.00 0.03 0.00 0.00 46.19 44.91 2pf5 s LEU 14 CO 0.01 0.11 1.10 0.42 0.23 0.00 0.00 176.35 178.22 2pf5 s THR 15 N 0.66 2.29 0.18 5.49 -4.23 -1.26 -0.79 115.64 117.98 2pf5 s THR 15 Ca -0.08 0.09 -0.14 0.00 -1.18 0.00 0.00 61.69 60.38 2pf5 s THR 15 Cb -0.16 -2.68 0.08 0.00 1.34 0.00 0.00 72.50 71.08 2pf5 s THR 15 CO 0.02 -0.12 1.73 0.22 -0.54 0.00 0.00 174.62 175.93 2pf5 h TYR 16 N -1.63 0.19 -0.85 3.99 3.20 -1.35 0.32 116.97 120.84 2pf5 h TYR 16 Ca -0.52 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.40 2pf5 h TYR 16 Cb 1.31 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 39.52 2pf5 h TYR 16 CO 0.34 0.03 0.56 0.00 -1.64 0.00 0.00 178.16 177.45 2pf5 h ALA 17 N 1.33 1.09 -0.37 1.82 0.00 -1.93 -0.54 119.26 120.67 2pf5 h ALA 17 Ca 0.22 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2pf5 h ALA 17 Cb 0.27 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2pf5 h ALA 17 CO -0.27 0.45 0.09 0.93 0.00 0.00 0.00 179.25 180.45 2pf5 h GLU 18 N 1.12 0.58 -0.41 0.00 5.08 -1.82 -1.85 114.58 117.28 2pf5 h GLU 18 Ca 0.32 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2pf5 h GLU 18 Cb -0.08 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2pf5 h GLU 18 CO -0.08 0.62 0.26 0.00 -1.00 0.00 0.00 179.01 178.81 2pf5 h ALA 19 N 0.94 0.52 -0.41 3.43 0.00 -0.66 -0.49 119.26 122.58 2pf5 h ALA 19 Ca 0.12 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2pf5 h ALA 19 Cb 0.30 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2pf5 h ALA 19 CO 0.00 -0.05 0.24 -0.22 0.00 0.00 0.00 179.25 179.22 2pf5 h LYS 20 N 0.53 0.46 -0.60 0.00 3.64 -0.99 -2.24 116.57 117.36 2pf5 h LYS 20 Ca 0.16 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 2pf5 h LYS 20 Cb -0.03 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 2pf5 h LYS 20 CO -0.05 0.31 0.22 0.00 -2.27 0.00 0.00 179.45 177.66 2pf5 h ALA 21 N 1.19 1.26 -0.11 5.00 0.00 -1.13 -1.07 119.26 124.39 2pf5 h ALA 21 Ca 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2pf5 h ALA 21 Cb 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2pf5 h ALA 21 CO -0.09 0.54 0.05 0.28 0.00 0.00 0.00 179.25 180.03 2pf5 h VAL 22 N 0.87 1.13 -0.49 0.00 2.07 -0.67 0.17 116.25 119.33 2pf5 h VAL 22 Ca 0.20 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 2pf5 h VAL 22 Cb 0.20 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2pf5 h VAL 22 CO -0.02 0.12 0.10 0.00 0.02 0.00 0.00 177.57 177.79 2pf5 h GLU 24 N 0.68 0.85 -0.93 0.00 5.08 -1.13 -0.14 114.58 119.00 2pf5 h GLU 24 Ca 0.15 -0.12 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 2pf5 h GLU 24 Cb 0.36 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.39 2pf5 h GLU 24 CO 0.01 0.69 0.60 0.35 -1.00 0.00 0.00 179.01 179.65 2pf5 h PHE 25 N 0.80 1.04 -0.11 4.33 3.57 -0.39 -0.48 116.94 125.71 2pf5 h PHE 25 Ca 0.20 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2pf5 h PHE 25 Cb 0.12 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.52 2pf5 h PHE 25 CO -0.00 0.49 0.00 0.39 -2.23 0.00 0.00 178.31 176.96 2pf5 n GLU 26 N -4.53 1.30 -0.39 1.11 1.02 -0.73 -4.87 120.64 113.55 2pf5 n GLU 26 Ca 0.15 -0.47 0.00 0.00 -0.02 0.00 0.00 57.16 56.83 2pf5 n GLU 26 Cb 0.27 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 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 0.80 0.79 0.00 0.62 0.00 -0.19 -5.04 105.19 102.18 2pf5 n GLY 27 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.39 5.28 3.20 -0.02 0.00 -0.09 -4.93 105.19 106.24 2pf5 n GLY 28 Ca 0.00 -1.43 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 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 1.50 0.19 0.23 1.61 3.76 -0.78 -3.09 115.29 118.70 2pf5 s HIS 29 Ca 0.00 -0.62 -0.31 0.00 -0.15 0.00 0.00 55.06 53.98 2pf5 s HIS 29 Cb 0.00 -0.08 -0.14 0.00 1.11 0.00 0.00 32.58 33.47 2pf5 s HIS 29 CO 0.00 -0.54 1.29 1.28 -0.85 0.00 0.00 174.74 175.92 2pf5 n LEU 30 N -0.05 2.57 -4.77 0.89 4.77 -1.26 -0.01 117.00 119.13 2pf5 n LEU 30 Ca -0.15 1.15 -0.39 0.00 -0.03 0.00 0.00 56.01 56.59 2pf5 n LEU 30 Cb 0.62 -1.36 -0.01 0.00 -2.33 0.00 0.00 43.42 40.34 2pf5 n LEU 30 CO 0.23 -0.81 0.92 0.00 -1.33 0.00 0.00 177.39 176.40 2pf5 s ALA 31 N -0.29 3.25 0.73 -1.18 0.00 0.36 -4.31 121.76 120.32 2pf5 s ALA 31 Ca 0.67 1.14 -0.11 0.00 0.00 0.00 0.00 51.96 53.66 2pf5 s ALA 31 Cb -0.70 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.00 2pf5 s ALA 31 CO 0.52 -0.69 1.07 0.95 0.00 0.00 0.00 175.76 177.62 2pf5 s THR 32 N -1.30 3.71 0.23 0.00 -4.23 -1.26 -0.50 115.64 112.30 2pf5 s THR 32 Ca 0.56 0.56 -0.07 0.00 -1.18 0.00 0.00 61.69 61.56 2pf5 s THR 32 Cb -0.36 -3.30 0.18 0.00 1.34 0.00 0.00 72.50 70.37 2pf5 s THR 32 CO 0.46 -0.73 1.75 0.22 -0.54 0.00 0.00 174.62 175.78 2pf5 h TYR 33 N -0.84 0.54 -0.66 3.99 3.20 -1.95 -0.54 116.97 120.71 2pf5 h TYR 33 Ca -0.45 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.41 2pf5 h TYR 33 Cb 1.23 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.33 2pf5 h TYR 33 CO 0.57 0.14 0.23 0.87 -1.64 0.00 0.00 178.16 178.34 2pf5 h LYS 34 N 0.51 0.99 -0.39 1.82 1.57 -1.99 0.88 116.57 119.96 2pf5 h LYS 34 Ca 0.36 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.83 2pf5 h LYS 34 Cb 0.45 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2pf5 h LYS 34 CO -0.32 0.83 -0.26 1.96 -0.57 0.00 0.00 179.45 181.09 2pf5 h GLN 35 N 0.96 0.87 -0.74 3.15 4.20 -1.84 -0.68 115.11 121.04 2pf5 h GLN 35 Ca 0.22 -0.41 -0.05 0.00 0.06 0.00 0.00 58.65 58.47 2pf5 h GLN 35 Cb 0.23 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 2pf5 h GLN 35 CO -0.01 1.05 0.26 1.25 -0.67 0.00 0.00 178.83 180.71 2pf5 h LEU 36 N 0.68 1.06 -0.54 1.46 5.85 -0.77 -0.78 115.31 122.26 2pf5 h LEU 36 Ca 0.08 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 2pf5 h LEU 36 Cb 0.83 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2pf5 h LEU 36 CO 0.07 0.97 0.03 -0.08 -0.34 0.00 0.00 178.44 179.08 2pf5 h GLU 37 N 1.10 0.94 -0.37 1.25 4.57 -0.69 -0.98 114.58 120.41 2pf5 h GLU 37 Ca 0.24 -0.29 0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2pf5 h GLU 37 Cb 0.27 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 2pf5 h GLU 37 CO -0.01 0.94 0.22 0.00 -1.18 0.00 0.00 179.01 178.98 2pf5 h ALA 38 N 0.97 0.46 -0.29 2.92 0.00 -0.85 0.51 119.26 122.99 2pf5 h ALA 38 Ca 0.16 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2pf5 h ALA 38 Cb 0.50 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 2pf5 h ALA 38 CO 0.02 -0.12 -0.08 0.00 0.00 0.00 0.00 179.25 179.07 2pf5 h ALA 39 N 1.16 0.18 -0.69 0.00 0.00 -0.98 -2.59 119.26 116.33 2pf5 h ALA 39 Ca 0.14 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.20 2pf5 h ALA 39 Cb -0.01 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2pf5 h ALA 39 CO -0.06 -0.47 0.42 -0.09 0.00 0.00 0.00 179.25 179.05 2pf5 h ARG 40 N -0.01 0.78 -0.21 0.00 2.43 -0.85 -1.92 114.38 114.60 2pf5 h ARG 40 Ca 0.14 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.33 2pf5 h ARG 40 Cb 0.23 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2pf5 h ARG 40 CO -0.30 0.52 0.20 0.87 -1.51 0.00 0.00 179.97 179.74 2pf5 h LYS 41 N 0.81 0.00 -0.41 0.20 1.57 -0.53 -1.46 116.57 116.76 2pf5 h LYS 41 Ca 0.29 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.97 2pf5 h LYS 41 Cb 0.07 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 2pf5 h LYS 41 CO -0.13 0.00 0.05 0.44 -0.57 0.00 0.00 179.45 179.24 2pf5 n ILE 42 N -4.01 2.52 0.00 1.86 -5.35 -0.78 -4.96 119.36 108.64 2pf5 n ILE 42 Ca 0.02 -2.03 0.00 0.00 -0.27 0.00 0.00 62.75 60.47 2pf5 n ILE 42 Cb 0.33 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 37.94 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 -0.57 0.86 3.65 3.28 0.00 -0.55 -5.05 105.19 106.80 2pf5 n GLY 43 Ca 0.29 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 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 2.98 -0.05 1.61 5.36 -0.83 -4.95 117.98 120.11 2pf5 s PHE 44 Ca 0.00 1.11 -0.02 0.00 -0.96 0.00 0.00 56.93 57.06 2pf5 s PHE 44 Cb 0.00 -3.63 0.03 0.00 -0.34 0.00 0.00 43.02 39.08 2pf5 s PHE 44 CO 0.00 -1.20 0.05 -1.58 -1.46 0.00 0.00 175.22 171.03 2pf5 s HIS 45 N 3.74 0.14 -0.06 10.12 5.65 -1.26 -4.05 115.29 129.57 2pf5 s HIS 45 Ca 0.50 0.19 -0.02 0.00 0.25 0.00 0.00 55.06 55.98 2pf5 s HIS 45 Cb -0.16 -0.53 0.04 0.00 -1.18 0.00 0.00 32.58 30.75 2pf5 s HIS 45 CO 0.16 -0.21 0.13 0.08 -0.65 0.00 0.00 174.74 174.24 2pf5 s VAL 46 N 2.14 -0.10 -1.23 0.89 1.01 -0.69 -5.01 120.40 117.41 2pf5 s VAL 46 Ca 0.05 0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.21 2pf5 s VAL 46 Cb -0.12 -0.23 0.20 0.00 0.00 0.00 0.00 36.38 36.23 2pf5 s VAL 46 CO -0.03 0.10 1.90 0.00 0.00 0.00 0.00 175.10 177.07 2pf5 s ALA 48 N -1.07 -1.59 0.25 0.00 0.00 -1.26 -5.14 121.76 112.95 2pf5 s ALA 48 Ca 0.41 1.72 -0.30 0.00 0.00 0.00 0.00 51.96 53.79 2pf5 s ALA 48 Cb 0.11 -1.65 -0.10 0.00 0.00 0.00 0.00 23.12 21.48 2pf5 s ALA 48 CO -0.01 -0.98 1.45 0.00 0.00 0.00 0.00 175.76 176.23 2pf5 s ALA 49 N 2.73 3.64 0.03 0.00 0.00 -1.26 -4.63 121.76 122.26 2pf5 s ALA 49 Ca 0.03 1.34 -0.00 0.00 0.00 0.00 0.00 51.96 53.33 2pf5 s ALA 49 Cb -0.13 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 2pf5 s ALA 49 CO -0.16 -0.76 -0.03 0.20 0.00 0.00 0.00 175.76 175.00 2pf5 s GLY 50 N 0.39 0.33 0.50 0.00 0.00 -0.45 -1.59 107.32 106.49 2pf5 s GLY 50 Ca 0.60 -0.80 -0.23 0.00 0.00 0.00 0.00 44.72 44.29 2pf5 s GLY 50 CO 0.43 -0.88 1.34 -0.98 0.00 0.00 0.00 173.10 173.01 2pf5 s TRP 51 N -2.26 2.46 0.35 1.90 0.52 0.03 -1.69 118.94 120.25 2pf5 s TRP 51 Ca -0.08 1.37 0.04 0.00 0.02 0.00 0.00 56.10 57.45 2pf5 s TRP 51 Cb -0.04 -3.76 -0.03 0.00 -1.15 0.00 0.00 33.47 28.49 2pf5 s TRP 51 CO -0.04 -2.65 0.17 -1.64 0.02 0.00 0.00 176.95 172.82 2pf5 s MET 52 N -2.70 1.77 0.45 4.98 -1.94 0.22 -1.12 119.30 120.96 2pf5 s MET 52 Ca 0.66 -2.04 -0.23 0.00 -1.71 0.00 0.00 55.69 52.37 2pf5 s MET 52 Cb -0.39 -0.22 -0.10 0.00 2.01 0.00 0.00 34.83 36.12 2pf5 s MET 52 CO 0.48 -0.50 0.90 0.00 -0.01 0.00 0.00 175.02 175.89 2pf5 n ALA 53 N -0.73 -0.18 -0.91 3.03 0.00 0.35 -2.29 120.51 119.79 2pf5 n ALA 53 Ca -0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2pf5 n ALA 53 Cb 0.64 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 0.05 -0.56 -1.01 0.00 5.02 -1.26 -3.19 118.16 117.21 2pf5 n LYS 54 Ca 0.10 0.14 -0.00 0.00 -2.02 0.00 0.00 58.31 56.53 2pf5 n LYS 54 Cb 0.41 -3.73 -0.00 0.00 -0.02 0.00 0.00 35.03 31.68 2pf5 n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pf5 n GLY 55 N -1.48 0.45 3.75 0.72 0.00 -0.97 -4.85 105.19 102.80 2pf5 n GLY 55 Ca 0.00 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.17 2.86 -0.00 1.61 3.52 -1.19 -2.15 118.95 122.42 2pf5 s ARG 56 Ca 0.00 1.94 0.07 0.00 -0.13 0.00 0.00 55.73 57.61 2pf5 s ARG 56 Cb 0.00 -1.93 -0.02 0.00 -1.56 0.00 0.00 34.95 31.44 2pf5 s ARG 56 CO 0.00 -1.32 -0.23 0.08 -0.81 0.00 0.00 175.30 173.02 2pf5 s VAL 57 N -1.50 1.80 -0.02 7.11 1.01 -0.70 -0.61 120.40 127.50 2pf5 s VAL 57 Ca 0.79 -1.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.64 2pf5 s VAL 57 Cb -0.33 -1.51 0.03 0.00 0.00 0.00 0.00 36.38 34.56 2pf5 s VAL 57 CO 0.36 0.45 0.41 0.61 0.00 0.00 0.00 175.10 176.93 2pf5 n GLY 58 N 2.36 0.43 3.44 4.51 0.00 -0.68 -0.52 105.19 114.73 2pf5 n GLY 58 Ca -0.16 -0.89 -0.16 0.00 0.00 0.00 0.00 46.02 44.82 2pf5 n GLY 58 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2pf5 s TYR 59 N -2.48 -0.53 -0.11 1.61 -0.85 -0.83 -1.34 117.35 112.82 2pf5 s TYR 59 Ca 0.10 0.75 -0.18 0.00 -0.52 0.00 0.00 57.07 57.22 2pf5 s TYR 59 Cb -0.00 0.38 -0.04 0.00 0.38 0.00 0.00 41.96 42.68 2pf5 s TYR 59 CO -0.00 -0.64 0.45 -1.25 -1.52 0.00 0.00 175.55 172.59 2pf5 s PRO 60 N -1.95 4.30 -0.14 -3.49 0.04 -1.25 -0.21 135.00 132.31 2pf5 s PRO 60 Ca -0.08 0.41 0.02 0.00 0.04 0.00 0.00 61.00 61.40 2pf5 s PRO 60 Cb -0.01 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.12 2pf5 s PRO 60 CO 0.03 0.21 -0.20 0.42 0.04 0.00 0.00 177.00 177.50 2pf5 s ILE 61 N 0.48 2.32 -0.26 0.56 -1.09 0.22 -1.71 121.20 121.71 2pf5 s ILE 61 Ca 0.25 -0.90 -0.16 0.00 -2.23 0.00 0.00 60.65 57.61 2pf5 s ILE 61 Cb -0.15 -1.94 -0.13 0.00 -1.58 0.00 0.00 42.46 38.65 2pf5 s ILE 61 CO 0.10 0.54 -0.24 0.52 -1.23 0.00 0.00 174.94 174.62 2pf5 n VAL 62 N 3.94 1.53 -3.83 2.92 0.31 -1.26 -1.25 118.33 120.69 2pf5 n VAL 62 Ca -0.19 -0.31 -0.36 0.00 -0.01 0.00 0.00 64.34 63.47 2pf5 n VAL 62 Cb 0.52 -1.92 -0.13 0.00 -0.91 0.00 0.00 33.84 31.40 2pf5 n VAL 62 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2pf5 s LYS 63 N -2.48 3.47 0.62 5.55 -0.14 -1.26 -4.85 119.74 120.64 2pf5 s LYS 63 Ca -0.37 -0.58 -0.16 0.00 -1.36 0.00 0.00 55.97 53.50 2pf5 s LYS 63 Cb 0.13 -3.16 -0.02 0.00 -1.68 0.00 0.00 37.83 33.10 2pf5 s LYS 63 CO 0.51 -0.21 1.09 -1.25 -0.76 0.00 0.00 175.35 174.72 2pf5 s PRO 64 N 1.54 3.07 0.00 -1.68 0.04 -1.26 -5.01 135.00 131.70 2pf5 s PRO 64 Ca 0.06 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.41 2pf5 s PRO 64 Cb -0.15 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2pf5 s PRO 64 CO -0.00 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.42 2pf5 n GLY 65 N -0.70 -1.39 0.13 0.56 0.00 -1.26 -4.99 105.19 97.54 2pf5 n GLY 65 Ca 0.10 -0.99 0.15 0.00 0.00 0.00 0.00 46.02 45.28 2pf5 n GLY 65 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pf5 n PRO 66 N -0.11 1.17 -0.18 1.61 -0.04 -1.26 -2.95 135.00 133.25 2pf5 n PRO 66 Ca 0.00 -0.25 0.09 0.00 -0.04 0.00 0.00 63.50 63.30 2pf5 n PRO 66 Cb 0.00 -1.47 0.19 0.00 -0.04 0.00 0.00 33.50 32.17 2pf5 n PRO 66 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2pf5 n ASN 67 N -0.67 3.16 0.00 3.54 3.02 -1.26 -4.96 115.26 118.09 2pf5 n ASN 67 Ca 0.22 -1.91 0.00 0.00 -0.03 0.00 0.00 54.58 52.85 2pf5 n ASN 67 Cb 0.17 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 2pf5 n ASN 67 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pf5 n GLY 69 N -0.35 0.70 2.36 0.00 0.00 -1.26 -4.15 105.19 102.49 2pf5 n GLY 69 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2pf5 n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pf5 n PHE 70 N -2.52 -0.75 -0.16 1.61 3.01 -1.26 -1.67 117.46 115.72 2pf5 n PHE 70 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2pf5 n PHE 70 Cb 0.00 -3.49 0.00 0.00 -0.01 0.00 0.00 39.48 35.98 2pf5 n PHE 70 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pf5 n GLY 71 N -0.99 1.14 3.90 1.37 0.00 -1.15 -5.00 105.19 104.46 2pf5 n GLY 71 Ca -0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 2pf5 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pf5 s LYS 72 N -0.54 3.64 0.19 1.61 -0.14 -0.67 -4.56 119.74 119.28 2pf5 s LYS 72 Ca 0.00 0.13 0.09 0.00 -1.36 0.00 0.00 55.97 54.83 2pf5 s LYS 72 Cb 0.00 -2.53 -0.04 0.00 -1.68 0.00 0.00 37.83 33.58 2pf5 s LYS 72 CO 0.00 0.06 -0.09 0.99 -0.76 0.00 0.00 175.35 175.55 2pf5 s THR 73 N -2.31 3.18 0.00 2.17 2.01 -1.26 -4.49 115.64 114.94 2pf5 s THR 73 Ca 0.46 -1.71 0.00 0.00 0.31 0.00 0.00 61.69 60.75 2pf5 s THR 73 Cb -0.10 -2.59 0.00 0.00 0.01 0.00 0.00 72.50 69.82 2pf5 s THR 73 CO 0.34 -0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 2pf5 n GLY 74 N -0.07 -1.15 3.66 4.40 0.00 -0.38 -4.89 105.19 106.77 2pf5 n GLY 74 Ca -0.10 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 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 0.00 4.89 -0.14 -0.61 1.01 -1.26 -0.61 121.20 124.48 2pf5 s ILE 75 Ca 0.00 1.56 -0.29 0.00 0.00 0.00 0.00 60.65 61.91 2pf5 s ILE 75 Cb 0.00 -4.11 -0.01 0.00 0.01 0.00 0.00 42.46 38.36 2pf5 s ILE 75 CO 0.00 0.02 1.04 -0.63 0.00 0.00 0.00 174.94 175.37 2pf5 s ILE 76 N 2.23 4.69 -0.36 2.92 -1.09 0.71 -4.89 121.20 125.41 2pf5 s ILE 76 Ca 0.36 1.99 -0.12 0.00 -2.23 0.00 0.00 60.65 60.65 2pf5 s ILE 76 Cb -0.16 -4.28 0.01 0.00 -1.58 0.00 0.00 42.46 36.45 2pf5 s ILE 76 CO 0.11 -0.05 0.22 -0.62 -1.23 0.00 0.00 174.94 173.37 2pf5 s ASP 77 N 1.19 5.84 0.00 3.58 2.15 -1.26 -1.97 116.67 126.20 2pf5 s ASP 77 Ca 0.48 -0.74 0.24 0.00 0.43 0.00 0.00 52.55 52.96 2pf5 s ASP 77 Cb -0.18 -2.07 0.86 0.00 -0.30 0.00 0.00 42.92 41.23 2pf5 s ASP 77 CO 0.15 -0.32 1.63 -1.22 -0.17 0.00 0.00 175.17 175.23 2pf5 n TYR 78 N 5.05 0.12 0.00 -5.34 4.02 0.32 -5.00 117.16 116.33 2pf5 n TYR 78 Ca -0.12 -0.06 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 2pf5 n TYR 78 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 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 1.17 -1.07 3.64 2.72 0.00 -1.20 -4.71 105.19 105.74 2pf5 n GLY 79 Ca 0.18 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.39 3.88 0.07 -0.61 1.01 -1.26 -1.72 121.20 120.18 2pf5 s ILE 80 Ca 0.00 1.01 -0.29 0.00 0.00 0.00 0.00 60.65 61.38 2pf5 s ILE 80 Cb 0.00 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 2pf5 s ILE 80 CO 0.00 -0.29 0.91 -0.13 0.00 0.00 0.00 174.94 175.43 2pf5 s ARG 81 N 4.30 4.62 0.11 2.79 1.81 -0.92 -4.93 118.95 126.74 2pf5 s ARG 81 Ca 0.65 1.34 -0.17 0.00 -1.72 0.00 0.00 55.73 55.84 2pf5 s ARG 81 Cb -0.23 -3.39 -0.04 0.00 -0.45 0.00 0.00 34.95 30.84 2pf5 s ARG 81 CO 0.26 0.18 1.58 1.25 -0.68 0.00 0.00 175.30 177.89 2pf5 h LEU 82 N 5.85 0.54 -8.34 2.53 5.85 -1.93 -3.40 115.31 116.42 2pf5 h LEU 82 Ca -0.43 -0.27 -0.64 0.00 0.84 0.00 0.00 57.88 57.39 2pf5 h LEU 82 Cb 1.21 -0.14 -0.15 0.00 0.37 0.00 0.00 40.66 41.95 2pf5 h LEU 82 CO 0.72 0.67 0.41 0.21 -0.34 0.00 0.00 178.44 180.12 2pf5 s ASN 83 N -5.99 6.23 0.00 1.25 2.47 -1.26 -4.92 114.94 112.72 2pf5 s ASN 83 Ca -0.13 -0.84 0.26 0.00 0.42 0.00 0.00 52.86 52.57 2pf5 s ASN 83 Cb 0.09 -2.39 1.50 0.00 -1.45 0.00 0.00 41.25 39.00 2pf5 s ASN 83 CO 0.76 -1.25 1.91 0.54 -3.72 0.00 0.00 177.10 175.34 2pf5 n ARG 84 N 7.22 0.70 0.00 0.43 5.12 -1.26 -2.58 116.66 126.28 2pf5 n ARG 84 Ca -0.03 0.01 0.13 0.00 -1.93 0.00 0.00 57.85 56.03 2pf5 n ARG 84 Cb 0.46 -1.50 0.32 0.00 -1.16 0.00 0.00 32.46 30.58 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 1.69 -4.67 0.55 7.64 -1.26 -1.32 113.62 115.17 2pf5 n SER 85 Ca 0.18 -1.40 -0.40 0.00 1.01 0.00 0.00 58.87 58.26 2pf5 n SER 85 Cb 0.12 0.12 0.02 0.00 -1.01 0.00 0.00 64.21 63.46 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 0.09 1.57 -3.76 1.43 1.02 -1.07 -4.76 120.64 115.16 2pf5 n GLU 86 Ca 0.14 0.57 -0.36 0.00 -0.02 0.00 0.00 57.16 57.49 2pf5 n GLU 86 Cb 0.41 -2.30 -0.12 0.00 -0.02 0.00 0.00 31.44 29.41 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 -2.39 3.73 0.00 3.49 0.52 -1.26 -4.01 118.95 119.03 2pf5 s ARG 87 Ca 0.66 -0.44 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 2pf5 s ARG 87 Cb -0.48 -3.36 0.00 0.00 0.52 0.00 0.00 34.95 31.62 2pf5 s ARG 87 CO 0.54 -0.14 0.00 0.91 0.02 0.00 0.00 175.30 176.63 2pf5 n TRP 88 N 4.80 0.00 -0.89 -0.53 7.02 0.03 -4.43 117.44 123.44 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 0.52 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.41 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 -2.04 0.00 -3.78 -0.99 8.00 -0.62 -1.03 116.55 116.10 2pf5 n ASP 89 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 2pf5 n ASP 89 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 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 -3.11 -0.72 -0.24 2.24 0.00 -0.50 -0.79 121.76 118.64 2pf5 s ALA 90 Ca 0.00 0.59 -0.03 0.00 0.00 0.00 0.00 51.96 52.52 2pf5 s ALA 90 Cb 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.87 2pf5 s ALA 90 CO 0.00 -0.19 -0.05 0.71 0.00 0.00 0.00 175.76 176.24 2pf5 s TYR 91 N -0.46 3.01 0.08 0.00 1.51 -0.28 -0.86 117.35 120.35 2pf5 s TYR 91 Ca -0.06 -1.22 0.03 0.00 -1.01 0.00 0.00 57.07 54.81 2pf5 s TYR 91 Cb -0.04 -2.09 -0.04 0.00 -0.11 0.00 0.00 41.96 39.68 2pf5 s TYR 91 CO 0.02 -0.64 0.06 0.00 -1.11 0.00 0.00 175.55 173.88 2pf5 s TYR 93 N -1.38 2.76 -0.26 0.00 5.04 0.98 -0.86 117.35 123.63 2pf5 s TYR 93 Ca 0.29 -1.11 -0.01 0.00 -2.44 0.00 0.00 57.07 53.79 2pf5 s TYR 93 Cb -0.12 -1.88 0.13 0.00 0.35 0.00 0.00 41.96 40.44 2pf5 s TYR 93 CO 0.21 -0.51 0.30 1.21 -1.34 0.00 0.00 175.55 175.42 2pf5 s ASN 94 N 0.84 1.31 0.00 4.32 3.84 -0.32 -1.87 114.94 123.07 2pf5 s ASN 94 Ca -0.05 -0.46 0.05 0.00 0.21 0.00 0.00 52.86 52.61 2pf5 s ASN 94 Cb -0.15 0.61 0.30 0.00 -0.55 0.00 0.00 41.25 41.46 2pf5 s ASN 94 CO -0.01 -0.36 0.80 -0.81 -2.79 0.00 0.00 177.10 173.93 2pf5 n PRO 95 N 5.32 0.15 0.00 0.43 -0.04 -1.26 -0.70 135.00 138.91 2pf5 n PRO 95 Ca -0.03 0.02 0.10 0.00 -0.04 0.00 0.00 63.50 63.55 2pf5 n PRO 95 Cb 0.48 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.52 2pf5 n PRO 95 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18