#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 4.58 0.06 1.61 1.01 -1.26 -1.36 120.40 125.04 2pf5 s VAL 2 Ca 0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 2pf5 s VAL 2 Cb 0.00 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 2pf5 s VAL 2 CO 0.00 0.50 0.18 -0.72 0.00 0.00 0.00 175.10 175.05 2pf5 s TYR 3 N -1.03 0.12 -0.07 5.22 -0.85 -0.46 -4.99 117.35 115.29 2pf5 s TYR 3 Ca 0.17 -0.44 -0.17 0.00 -0.52 0.00 0.00 57.07 56.11 2pf5 s TYR 3 Cb -0.12 -0.06 -0.05 0.00 0.38 0.00 0.00 41.96 42.11 2pf5 s TYR 3 CO 0.07 -0.47 0.46 -1.58 -1.52 0.00 0.00 175.55 172.51 2pf5 s HIS 4 N -3.12 3.60 0.02 -3.49 5.65 -1.26 -0.87 115.29 115.81 2pf5 s HIS 4 Ca -0.01 0.94 0.05 0.00 0.25 0.00 0.00 55.06 56.30 2pf5 s HIS 4 Cb 0.02 -2.47 -0.02 0.00 -1.18 0.00 0.00 32.58 28.93 2pf5 s HIS 4 CO -0.07 0.34 -0.16 0.50 -0.65 0.00 0.00 174.74 174.69 2pf5 s ARG 5 N -0.00 1.20 0.19 2.88 6.06 0.32 -4.98 118.95 124.61 2pf5 s ARG 5 Ca 0.25 -0.72 0.10 0.00 -2.50 0.00 0.00 55.73 52.86 2pf5 s ARG 5 Cb -0.16 -1.21 -0.04 0.00 0.06 0.00 0.00 34.95 33.60 2pf5 s ARG 5 CO 0.12 0.32 -0.14 -1.21 -2.50 0.00 0.00 175.30 171.88 2pf5 s GLU 6 N -0.82 1.89 0.74 5.12 2.02 -1.26 -1.10 118.70 125.29 2pf5 s GLU 6 Ca 0.05 -1.37 -0.15 0.00 0.02 0.00 0.00 54.97 53.52 2pf5 s GLU 6 Cb -0.07 -2.05 0.04 0.00 0.10 0.00 0.00 34.13 32.14 2pf5 s GLU 6 CO 0.01 0.42 1.20 0.00 0.02 0.00 0.00 175.26 176.91 2pf5 n ALA 7 N 0.05 0.39 -0.27 5.21 0.00 -1.25 -4.90 120.51 119.74 2pf5 n ALA 7 Ca -0.11 -0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.25 2pf5 n ALA 7 Cb 0.56 -2.26 0.36 0.00 0.00 0.00 0.00 19.45 18.11 2pf5 n ALA 7 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2pf5 h ARG 8 N -0.27 0.72 0.00 0.00 2.43 -2.00 -2.12 114.38 113.14 2pf5 h ARG 8 Ca -0.48 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 2pf5 h ARG 8 Cb 1.32 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2pf5 h ARG 8 CO 0.49 0.47 0.00 -1.13 -1.51 0.00 0.00 179.97 178.29 2pf5 n SER 9 N -4.55 0.01 0.00 -3.80 3.41 -1.26 -5.00 113.62 102.42 2pf5 n SER 9 Ca 0.17 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 2pf5 n SER 9 Cb 0.43 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 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 1.08 0.63 3.74 5.00 0.00 -0.80 -5.08 105.19 109.77 2pf5 n GLY 10 Ca 0.06 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.99 4.39 -0.96 1.61 2.20 -1.26 -3.78 119.74 120.95 2pf5 s LYS 11 Ca 0.00 2.05 -0.05 0.00 -0.36 0.00 0.00 55.97 57.61 2pf5 s LYS 11 Cb 0.00 -3.20 -0.06 0.00 -1.51 0.00 0.00 37.83 33.06 2pf5 s LYS 11 CO 0.00 -0.26 0.84 0.66 -0.36 0.00 0.00 175.35 176.23 2pf5 n TYR 12 N 2.68 -2.34 -0.98 4.03 4.01 -1.26 -4.97 117.16 118.33 2pf5 n TYR 12 Ca 0.06 0.82 0.00 0.00 -0.16 0.00 0.00 57.90 58.63 2pf5 n TYR 12 Cb 0.43 -4.01 0.00 0.00 -0.31 0.00 0.00 39.34 35.45 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 -3.00 0.37 -4.39 -0.72 5.02 -1.05 -4.29 118.16 110.09 2pf5 n LYS 13 Ca -0.06 -0.70 -0.34 0.00 -2.02 0.00 0.00 58.31 55.20 2pf5 n LYS 13 Cb 0.60 -0.57 -0.14 0.00 -0.02 0.00 0.00 35.03 34.90 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 -0.16 2.75 1.01 -0.35 1.43 -0.13 -4.83 118.68 118.39 2pf5 s LEU 14 Ca 0.00 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 2pf5 s LEU 14 Cb 0.00 -1.65 0.19 0.00 0.03 0.00 0.00 46.19 44.77 2pf5 s LEU 14 CO 0.00 0.08 1.09 0.42 0.23 0.00 0.00 176.35 178.18 2pf5 s THR 15 N 0.84 2.02 0.13 5.49 -4.23 -1.25 -0.85 115.64 117.78 2pf5 s THR 15 Ca -0.03 0.01 -0.20 0.00 -1.18 0.00 0.00 61.69 60.29 2pf5 s THR 15 Cb -0.15 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.17 2pf5 s THR 15 CO 0.01 -0.01 1.70 0.22 -0.54 0.00 0.00 174.62 175.99 2pf5 h TYR 16 N -1.92 -0.14 -0.88 3.99 3.20 -1.44 0.97 116.97 120.75 2pf5 h TYR 16 Ca -0.55 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.35 2pf5 h TYR 16 Cb 1.33 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 39.65 2pf5 h TYR 16 CO 0.28 -0.10 0.58 0.00 -1.64 0.00 0.00 178.16 177.28 2pf5 h ALA 17 N 1.20 1.37 -0.25 1.82 0.00 -1.94 -1.65 119.26 119.82 2pf5 h ALA 17 Ca 0.11 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2pf5 h ALA 17 Cb 0.18 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2pf5 h ALA 17 CO -0.23 0.59 -0.24 0.93 0.00 0.00 0.00 179.25 180.30 2pf5 h GLU 18 N 1.20 0.60 -0.39 0.00 5.08 -1.78 -1.24 114.58 118.04 2pf5 h GLU 18 Ca 0.32 -0.31 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 2pf5 h GLU 18 Cb -0.13 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.06 2pf5 h GLU 18 CO -0.07 0.90 -0.02 0.00 -1.00 0.00 0.00 179.01 178.82 2pf5 h ALA 19 N 0.68 0.33 -0.48 3.43 0.00 -0.54 -0.71 119.26 121.97 2pf5 h ALA 19 Ca 0.04 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2pf5 h ALA 19 Cb 0.79 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2pf5 h ALA 19 CO 0.06 -0.41 0.26 -0.22 0.00 0.00 0.00 179.25 178.94 2pf5 h LYS 20 N 0.08 0.50 -0.61 0.00 3.64 -1.23 -1.51 116.57 117.44 2pf5 h LYS 20 Ca 0.19 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 2pf5 h LYS 20 Cb 0.27 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 2pf5 h LYS 20 CO -0.34 0.33 0.21 0.00 -2.27 0.00 0.00 179.45 177.38 2pf5 h ALA 21 N 1.24 1.23 0.11 5.00 0.00 -0.80 -0.25 119.26 125.79 2pf5 h ALA 21 Ca 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2pf5 h ALA 21 Cb 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2pf5 h ALA 21 CO -0.12 0.55 -0.05 0.28 0.00 0.00 0.00 179.25 179.91 2pf5 h VAL 22 N 0.88 0.95 -0.70 0.00 2.07 -0.70 -0.70 116.25 118.05 2pf5 h VAL 22 Ca 0.20 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2pf5 h VAL 22 Cb 0.22 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 2pf5 h VAL 22 CO -0.01 0.05 0.21 0.00 0.02 0.00 0.00 177.57 177.84 2pf5 h GLU 24 N 1.03 1.01 -0.40 0.00 5.08 -1.00 -0.17 114.58 120.14 2pf5 h GLU 24 Ca 0.23 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2pf5 h GLU 24 Cb 0.29 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2pf5 h GLU 24 CO -0.01 1.00 0.22 0.35 -1.00 0.00 0.00 179.01 179.57 2pf5 h PHE 25 N 0.92 0.52 -0.09 4.33 3.57 -0.79 -1.43 116.94 123.98 2pf5 h PHE 25 Ca 0.17 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2pf5 h PHE 25 Cb 0.55 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2pf5 h PHE 25 CO 0.04 0.36 0.00 0.39 -2.23 0.00 0.00 178.31 176.87 2pf5 n GLU 26 N -4.44 1.43 -0.11 1.11 1.02 -0.97 -4.87 120.64 113.81 2pf5 n GLU 26 Ca 0.03 -0.64 0.00 0.00 -0.02 0.00 0.00 57.16 56.53 2pf5 n GLU 26 Cb 0.09 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 1.01 0.79 0.00 0.62 0.00 -0.54 -5.05 105.19 102.02 2pf5 n GLY 27 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.06 5.20 3.37 -0.02 0.00 -0.11 -4.94 105.19 106.63 2pf5 n GLY 28 Ca 0.00 -1.58 -0.10 0.00 0.00 0.00 0.00 46.02 44.34 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 2.24 0.04 0.30 1.61 3.76 -0.83 -3.40 115.29 119.01 2pf5 s HIS 29 Ca 0.00 -0.39 -0.30 0.00 -0.15 0.00 0.00 55.06 54.22 2pf5 s HIS 29 Cb 0.00 0.17 -0.12 0.00 1.11 0.00 0.00 32.58 33.74 2pf5 s HIS 29 CO 0.00 -0.76 1.45 1.28 -0.85 0.00 0.00 174.74 175.86 2pf5 n LEU 30 N -0.24 3.79 -4.77 0.89 4.77 -1.26 0.17 117.00 120.34 2pf5 n LEU 30 Ca -0.12 1.17 -0.40 0.00 -0.03 0.00 0.00 56.01 56.64 2pf5 n LEU 30 Cb 0.63 -1.51 -0.01 0.00 -2.33 0.00 0.00 43.42 40.20 2pf5 n LEU 30 CO 0.20 -0.22 0.97 0.00 -1.33 0.00 0.00 177.39 177.01 2pf5 s ALA 31 N -0.41 3.31 0.70 -1.18 0.00 0.77 -4.21 121.76 120.75 2pf5 s ALA 31 Ca 0.62 1.26 -0.11 0.00 0.00 0.00 0.00 51.96 53.72 2pf5 s ALA 31 Cb -0.56 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.08 2pf5 s ALA 31 CO 0.54 -0.81 1.08 0.95 0.00 0.00 0.00 175.76 177.52 2pf5 s THR 32 N -1.24 3.67 0.18 0.00 -4.23 -1.26 -0.06 115.64 112.70 2pf5 s THR 32 Ca 0.55 0.54 -0.14 0.00 -1.18 0.00 0.00 61.69 61.47 2pf5 s THR 32 Cb -0.39 -3.49 0.07 0.00 1.34 0.00 0.00 72.50 70.03 2pf5 s THR 32 CO 0.50 -0.71 1.81 0.22 -0.54 0.00 0.00 174.62 175.90 2pf5 h TYR 33 N -0.66 0.54 -0.59 3.99 3.20 -1.95 0.50 116.97 122.00 2pf5 h TYR 33 Ca -0.45 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.50 2pf5 h TYR 33 Cb 1.24 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 39.29 2pf5 h TYR 33 CO 0.53 0.30 0.30 -0.22 -1.64 0.00 0.00 178.16 177.43 2pf5 h LYS 34 N 0.57 0.55 -0.46 1.82 3.64 -1.98 0.16 116.57 120.87 2pf5 h LYS 34 Ca 0.21 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 2pf5 h LYS 34 Cb 0.04 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2pf5 h LYS 34 CO -0.11 0.36 0.08 1.96 -2.27 0.00 0.00 179.45 179.48 2pf5 h GLN 35 N 0.56 0.76 -0.67 1.90 4.20 -1.85 0.10 115.11 120.12 2pf5 h GLN 35 Ca 0.27 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 2pf5 h GLN 35 Cb 0.19 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 2pf5 h GLN 35 CO -0.19 0.78 0.16 1.25 -0.67 0.00 0.00 178.83 180.16 2pf5 h LEU 36 N 0.63 1.00 -0.37 1.46 5.85 -0.40 -1.00 115.31 122.48 2pf5 h LEU 36 Ca 0.14 -0.20 -0.12 0.00 0.84 0.00 0.00 57.88 58.54 2pf5 h LEU 36 Cb 0.38 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2pf5 h LEU 36 CO 0.01 0.96 -0.22 -0.08 -0.34 0.00 0.00 178.44 178.77 2pf5 h GLU 37 N 1.01 0.81 -0.10 1.25 4.81 -0.55 0.63 114.58 122.44 2pf5 h GLU 37 Ca 0.21 -0.37 -0.12 0.00 -0.13 0.00 0.00 59.36 58.95 2pf5 h GLU 37 Cb 0.35 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2pf5 h GLU 37 CO 0.00 1.00 -0.47 0.00 -0.73 0.00 0.00 179.01 178.81 2pf5 h ALA 38 N 0.79 1.02 0.12 2.92 0.00 -0.57 -2.18 119.26 121.36 2pf5 h ALA 38 Ca 0.08 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2pf5 h ALA 38 Cb 0.77 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2pf5 h ALA 38 CO 0.06 0.64 -0.06 0.00 0.00 0.00 0.00 179.25 179.89 2pf5 h ALA 39 N 1.31 -0.16 -0.73 0.00 0.00 -1.16 -3.30 119.26 115.22 2pf5 h ALA 39 Ca 0.01 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.86 2pf5 h ALA 39 Cb 0.91 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.64 2pf5 h ALA 39 CO 0.07 -0.42 -0.39 -0.09 0.00 0.00 0.00 179.25 178.42 2pf5 h ARG 40 N -0.49 -0.12 0.00 0.00 2.43 -0.39 0.23 114.38 116.04 2pf5 h ARG 40 Ca -0.02 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2pf5 h ARG 40 Cb 0.40 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2pf5 h ARG 40 CO 0.03 -0.08 0.00 0.87 -1.51 0.00 0.00 179.97 179.28 2pf5 h LYS 41 N -0.12 0.00 0.05 0.20 1.57 -1.52 -1.31 116.57 115.45 2pf5 h LYS 41 Ca 0.25 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.78 2pf5 h LYS 41 Cb 0.56 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 2pf5 h LYS 41 CO -0.79 0.00 -1.16 0.97 -0.57 0.00 0.00 179.45 177.90 2pf5 h ILE 42 N 0.00 1.56 0.00 1.86 -0.00 -1.03 -3.48 117.51 116.43 2pf5 h ILE 42 Ca 0.00 -3.22 0.00 0.00 -0.00 0.00 0.00 64.86 61.64 2pf5 h ILE 42 Cb 0.22 2.86 0.00 0.00 -0.00 0.00 0.00 36.82 39.90 2pf5 h ILE 42 CO 0.00 0.91 0.00 0.61 -0.00 0.00 0.00 178.15 179.67 2pf5 n GLY 43 N 1.45 0.54 3.51 8.18 0.00 -0.50 -5.11 105.19 113.26 2pf5 n GLY 43 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 2pf5 n GLY 43 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2pf5 n PHE 44 N 0.00 0.69 -4.86 1.61 7.35 -1.16 -4.93 117.46 116.15 2pf5 n PHE 44 Ca 0.00 0.30 -0.32 0.00 -0.76 0.00 0.00 57.45 56.68 2pf5 n PHE 44 Cb 0.00 -2.31 -0.17 0.00 0.35 0.00 0.00 39.48 37.36 2pf5 n PHE 44 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 2pf5 s HIS 45 N 9.10 2.51 -0.10 -5.13 3.76 -1.26 -4.18 115.29 119.99 2pf5 s HIS 45 Ca 1.28 -1.16 -0.04 0.00 -0.15 0.00 0.00 55.06 54.99 2pf5 s HIS 45 Cb -1.02 -1.70 0.05 0.00 1.11 0.00 0.00 32.58 31.02 2pf5 s HIS 45 CO 0.45 -0.51 0.21 0.08 -0.85 0.00 0.00 174.74 174.12 2pf5 s VAL 46 N 0.64 -0.23 -1.10 -0.90 1.01 -0.90 -5.03 120.40 113.89 2pf5 s VAL 46 Ca -0.12 0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 2pf5 s VAL 46 Cb -0.16 -0.36 0.30 0.00 0.00 0.00 0.00 36.38 36.15 2pf5 s VAL 46 CO 0.03 0.11 1.57 0.00 0.00 0.00 0.00 175.10 176.80 2pf5 s ALA 48 N -2.63 -1.25 0.18 0.00 0.00 -1.26 -5.15 121.76 111.64 2pf5 s ALA 48 Ca 0.33 1.72 -0.30 0.00 0.00 0.00 0.00 51.96 53.71 2pf5 s ALA 48 Cb 0.07 -1.09 -0.08 0.00 0.00 0.00 0.00 23.12 22.02 2pf5 s ALA 48 CO 0.08 -0.36 1.25 0.00 0.00 0.00 0.00 175.76 176.72 2pf5 s ALA 49 N 1.62 3.47 0.04 0.00 0.00 -1.26 -4.60 121.76 121.03 2pf5 s ALA 49 Ca -0.09 1.01 -0.03 0.00 0.00 0.00 0.00 51.96 52.85 2pf5 s ALA 49 Cb -0.08 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 2pf5 s ALA 49 CO -0.14 -0.45 0.03 0.20 0.00 0.00 0.00 175.76 175.40 2pf5 s GLY 50 N 0.33 0.27 0.34 0.00 0.00 -0.13 -1.75 107.32 106.37 2pf5 s GLY 50 Ca 0.55 -0.74 -0.28 0.00 0.00 0.00 0.00 44.72 44.25 2pf5 s GLY 50 CO 0.36 -0.85 1.39 0.79 0.00 0.00 0.00 173.10 174.79 2pf5 n TRP 51 N 0.80 2.57 -4.50 1.90 7.02 -0.25 -1.57 117.44 123.42 2pf5 n TRP 51 Ca -0.19 0.49 -0.25 0.00 -1.02 0.00 0.00 57.50 56.53 2pf5 n TRP 51 Cb 0.58 -2.47 -0.08 0.00 -2.42 0.00 0.00 31.31 26.91 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 -1.77 1.88 0.56 -0.99 -1.94 0.11 -1.53 119.30 115.62 2pf5 s MET 52 Ca 0.56 -2.13 -0.19 0.00 -1.71 0.00 0.00 55.69 52.22 2pf5 s MET 52 Cb -0.53 -0.60 -0.07 0.00 2.01 0.00 0.00 34.83 35.63 2pf5 s MET 52 CO 0.61 -0.45 0.76 0.00 -0.01 0.00 0.00 175.02 175.94 2pf5 n ALA 53 N -0.87 -0.46 -0.92 3.03 0.00 0.91 -2.49 120.51 119.71 2pf5 n ALA 53 Ca -0.05 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2pf5 n ALA 53 Cb 0.65 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 -0.39 -0.13 -1.28 0.00 5.02 -1.26 -3.05 118.16 117.07 2pf5 n LYS 54 Ca 0.12 0.03 -0.05 0.00 -2.02 0.00 0.00 58.31 56.40 2pf5 n LYS 54 Cb 0.46 -3.10 -0.02 0.00 -0.02 0.00 0.00 35.03 32.35 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 -2.03 0.65 3.78 0.72 0.00 -1.04 -4.85 105.19 102.44 2pf5 n GLY 55 Ca 0.00 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.67 3.45 -0.05 1.61 3.52 -1.17 -1.71 118.95 121.93 2pf5 s ARG 56 Ca 0.00 1.47 0.06 0.00 -0.13 0.00 0.00 55.73 57.13 2pf5 s ARG 56 Cb 0.00 -2.03 -0.02 0.00 -1.56 0.00 0.00 34.95 31.34 2pf5 s ARG 56 CO 0.00 -0.74 -0.22 0.08 -0.81 0.00 0.00 175.30 173.61 2pf5 s VAL 57 N -1.96 2.36 0.31 7.11 1.01 -0.66 -0.71 120.40 127.87 2pf5 s VAL 57 Ca 0.69 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 61.60 2pf5 s VAL 57 Cb -0.20 -1.87 0.04 0.00 0.00 0.00 0.00 36.38 34.35 2pf5 s VAL 57 CO 0.27 0.58 0.59 0.61 0.00 0.00 0.00 175.10 177.14 2pf5 n GLY 58 N 2.66 1.40 3.31 4.51 0.00 -0.61 -0.43 105.19 116.02 2pf5 n GLY 58 Ca -0.17 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.44 -0.46 0.20 1.61 -0.85 -0.77 -0.96 117.35 112.68 2pf5 s TYR 59 Ca 0.15 1.12 -0.30 0.00 -0.52 0.00 0.00 57.07 57.52 2pf5 s TYR 59 Cb -0.03 0.16 -0.08 0.00 0.38 0.00 0.00 41.96 42.39 2pf5 s TYR 59 CO 0.11 -0.22 0.99 -1.25 -1.52 0.00 0.00 175.55 173.66 2pf5 s PRO 60 N 0.26 4.75 0.12 -3.49 0.04 -1.25 -0.78 135.00 134.64 2pf5 s PRO 60 Ca -0.00 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2pf5 s PRO 60 Cb -0.03 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.22 2pf5 s PRO 60 CO 0.00 0.33 0.00 -0.89 0.04 0.00 0.00 177.00 176.48 2pf5 n ILE 61 N 1.94 0.90 0.00 0.56 2.08 -1.26 -2.13 119.36 121.45 2pf5 n ILE 61 Ca 0.00 0.30 0.00 0.00 0.56 0.00 0.00 62.75 63.61 2pf5 n ILE 61 Cb 0.47 -1.33 0.00 0.00 -0.75 0.00 0.00 39.64 38.03 2pf5 n ILE 61 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2pf5 n GLY 74 N 3.14 0.00 3.31 7.39 0.00 -1.26 -4.98 105.19 112.78 2pf5 n GLY 74 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 2.87 -0.17 -0.61 1.01 -1.26 -4.99 121.20 118.06 2pf5 s ILE 75 Ca 0.00 -0.70 -0.25 0.00 0.00 0.00 0.00 60.65 59.70 2pf5 s ILE 75 Cb 0.00 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 2pf5 s ILE 75 CO 0.00 0.51 0.82 -0.63 0.00 0.00 0.00 174.94 175.64 2pf5 s ILE 76 N 0.71 4.89 -0.35 2.92 -1.09 0.04 -4.88 121.20 123.44 2pf5 s ILE 76 Ca -0.06 1.60 -0.16 0.00 -2.23 0.00 0.00 60.65 59.80 2pf5 s ILE 76 Cb -0.15 -4.12 -0.01 0.00 -1.58 0.00 0.00 42.46 36.59 2pf5 s ILE 76 CO 0.02 0.03 0.40 -0.62 -1.23 0.00 0.00 174.94 173.54 2pf5 s ASP 77 N 1.16 6.21 0.00 3.58 2.15 -1.26 -1.84 116.67 126.67 2pf5 s ASP 77 Ca 0.38 -0.20 0.24 0.00 0.43 0.00 0.00 52.55 53.40 2pf5 s ASP 77 Cb -0.16 -2.21 0.99 0.00 -0.30 0.00 0.00 42.92 41.23 2pf5 s ASP 77 CO 0.12 -0.38 1.69 -1.22 -0.17 0.00 0.00 175.17 175.21 2pf5 n TYR 78 N 5.47 0.10 0.00 -5.34 4.02 0.42 -5.00 117.16 116.83 2pf5 n TYR 78 Ca -0.08 -0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.76 2pf5 n TYR 78 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.81 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 1.09 -1.88 3.67 2.72 0.00 -1.21 -4.70 105.19 104.88 2pf5 n GLY 79 Ca 0.17 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.32 4.13 -0.03 -0.61 1.01 -1.26 -1.65 121.20 120.47 2pf5 s ILE 80 Ca 0.00 1.41 -0.23 0.00 0.00 0.00 0.00 60.65 61.82 2pf5 s ILE 80 Cb 0.00 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 2pf5 s ILE 80 CO 0.00 -0.09 0.70 -0.13 0.00 0.00 0.00 174.94 175.43 2pf5 s ARG 81 N 3.17 4.44 0.10 2.79 1.81 -0.69 -4.95 118.95 125.62 2pf5 s ARG 81 Ca 0.58 0.91 -0.17 0.00 -1.72 0.00 0.00 55.73 55.33 2pf5 s ARG 81 Cb -0.25 -3.41 -0.05 0.00 -0.45 0.00 0.00 34.95 30.79 2pf5 s ARG 81 CO 0.19 0.17 1.57 1.25 -0.68 0.00 0.00 175.30 177.80 2pf5 h LEU 82 N 6.31 0.49 -8.30 2.53 5.85 -1.93 -3.40 115.31 116.86 2pf5 h LEU 82 Ca -0.42 -0.27 -0.68 0.00 0.84 0.00 0.00 57.88 57.35 2pf5 h LEU 82 Cb 1.20 -0.13 -0.18 0.00 0.37 0.00 0.00 40.66 41.92 2pf5 h LEU 82 CO 0.73 0.63 0.17 0.21 -0.34 0.00 0.00 178.44 179.84 2pf5 s ASN 83 N -5.94 6.21 0.00 1.25 2.47 -1.26 -4.90 114.94 112.77 2pf5 s ASN 83 Ca -0.13 -1.06 0.21 0.00 0.42 0.00 0.00 52.86 52.30 2pf5 s ASN 83 Cb 0.08 -2.32 1.28 0.00 -1.45 0.00 0.00 41.25 38.84 2pf5 s ASN 83 CO 0.75 -1.06 1.71 0.54 -3.72 0.00 0.00 177.10 175.33 2pf5 n ARG 84 N 6.50 0.81 0.00 0.43 5.12 -1.26 -2.24 116.66 126.01 2pf5 n ARG 84 Ca -0.07 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 55.98 2pf5 n ARG 84 Cb 0.44 -1.41 0.22 0.00 -1.16 0.00 0.00 32.46 30.55 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 -0.91 2.12 -4.70 0.55 7.64 -1.26 -1.57 113.62 115.49 2pf5 n SER 85 Ca 0.16 -1.60 -0.40 0.00 1.01 0.00 0.00 58.87 58.04 2pf5 n SER 85 Cb 0.07 0.14 0.02 0.00 -1.01 0.00 0.00 64.21 63.43 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 0.45 1.76 -3.73 1.43 1.02 -0.95 -4.74 120.64 115.88 2pf5 n GLU 86 Ca 0.14 0.63 -0.37 0.00 -0.02 0.00 0.00 57.16 57.54 2pf5 n GLU 86 Cb 0.47 -2.41 -0.12 0.00 -0.02 0.00 0.00 31.44 29.37 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 -2.43 3.41 0.00 3.49 0.52 -1.26 -3.94 118.95 118.74 2pf5 s ARG 87 Ca 0.65 -0.65 0.00 0.00 -0.52 0.00 0.00 55.73 55.21 2pf5 s ARG 87 Cb -0.47 -3.41 0.00 0.00 0.52 0.00 0.00 34.95 31.59 2pf5 s ARG 87 CO 0.55 -0.33 0.00 0.91 0.02 0.00 0.00 175.30 176.45 2pf5 n TRP 88 N 4.93 0.00 -1.41 -0.53 7.02 -0.03 -4.27 117.44 123.14 2pf5 n TRP 88 Ca -0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.33 2pf5 n TRP 88 Cb 0.50 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.39 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 -2.27 0.00 -3.90 -0.99 10.43 -0.72 -0.96 116.55 118.14 2pf5 n ASP 89 Ca 0.00 -0.11 -0.11 0.00 2.57 0.00 0.00 54.79 57.14 2pf5 n ASP 89 Cb 0.00 0.00 -0.12 0.00 1.84 0.00 0.00 41.12 42.84 2pf5 n ASP 89 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2pf5 s ALA 90 N -2.70 -0.04 -0.23 2.24 0.00 -0.26 -1.09 121.76 119.68 2pf5 s ALA 90 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 51.96 51.77 2pf5 s ALA 90 Cb 0.00 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.17 2pf5 s ALA 90 CO 0.00 -0.09 -0.08 0.71 0.00 0.00 0.00 175.76 176.30 2pf5 s TYR 91 N -0.66 2.98 0.03 0.00 1.51 -0.58 -0.52 117.35 120.10 2pf5 s TYR 91 Ca -0.07 -1.39 0.00 0.00 -1.01 0.00 0.00 57.07 54.60 2pf5 s TYR 91 Cb -0.05 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.72 2pf5 s TYR 91 CO -0.00 -0.69 0.10 0.00 -1.11 0.00 0.00 175.55 173.85 2pf5 s TYR 93 N -1.29 2.81 -0.11 0.00 5.04 0.13 -1.36 117.35 122.57 2pf5 s TYR 93 Ca 0.26 -0.86 -0.02 0.00 -2.44 0.00 0.00 57.07 54.01 2pf5 s TYR 93 Cb -0.12 -1.89 0.04 0.00 0.35 0.00 0.00 41.96 40.34 2pf5 s TYR 93 CO 0.18 -0.37 0.02 1.21 -1.34 0.00 0.00 175.55 175.25 2pf5 s ASN 94 N 0.68 2.00 0.56 4.32 3.84 -0.46 -1.96 114.94 123.91 2pf5 s ASN 94 Ca -0.07 -0.33 0.33 0.00 0.21 0.00 0.00 52.86 53.01 2pf5 s ASN 94 Cb -0.15 -0.45 1.47 0.00 -0.55 0.00 0.00 41.25 41.57 2pf5 s ASN 94 CO 0.02 -0.24 1.79 -0.65 -2.79 0.00 0.00 177.10 175.23 2pf5 h PRO 95 N 8.32 0.00 0.00 0.43 0.11 -1.92 0.85 132.00 139.79 2pf5 h PRO 95 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2pf5 h PRO 95 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2pf5 h PRO 95 CO 0.28 0.00 -0.35 0.72 -0.21 0.00 0.00 178.00 178.44 2pf5 n HIS 96 N -3.97 0.75 1.14 0.65 8.25 -1.26 -4.20 115.22 116.58 2pf5 n HIS 96 Ca 0.20 0.22 0.09 0.00 -0.26 0.00 0.00 57.72 57.97 2pf5 n HIS 96 Cb 1.10 -0.80 0.54 0.00 1.12 0.00 0.00 29.99 31.96 2pf5 n HIS 96 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98