#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abl s LEU 4 N 0.00 4.46 0.64 0.00 1.43 -1.26 -5.07 118.68 118.88 3abl s LEU 4 Ca 0.00 1.10 -0.14 0.00 -1.03 0.00 0.00 54.13 54.06 3abl s LEU 4 Cb 0.00 -2.88 -0.01 0.00 0.03 0.00 0.00 46.19 43.33 3abl s LEU 4 CO 0.00 0.25 1.06 0.00 0.23 0.00 0.00 176.35 177.90 3abl s ALA 5 N -1.19 2.66 0.02 4.21 0.00 -1.26 -4.98 121.76 121.23 3abl s ALA 5 Ca 0.29 0.31 -0.30 0.00 0.00 0.00 0.00 51.96 52.26 3abl s ALA 5 Cb -0.17 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.66 3abl s ALA 5 CO 0.17 -1.04 1.46 0.21 0.00 0.00 0.00 175.76 176.56 3abl s LYS 6 N -4.42 4.26 0.53 0.00 2.20 -1.26 -5.04 119.74 116.01 3abl s LYS 6 Ca 0.62 2.06 -0.01 0.00 -0.36 0.00 0.00 55.97 58.28 3abl s LYS 6 Cb -0.16 -3.56 0.01 0.00 -1.51 0.00 0.00 37.83 32.61 3abl s LYS 6 CO 0.44 -0.61 0.77 -1.25 -0.36 0.00 0.00 175.35 174.35 3abl s PRO 7 N 2.39 2.83 0.37 4.03 0.04 -1.26 -5.06 135.00 138.33 3abl s PRO 7 Ca 0.66 -0.44 -0.27 0.00 0.04 0.00 0.00 61.00 60.99 3abl s PRO 7 Cb -0.34 -2.45 -0.11 0.00 0.04 0.00 0.00 34.50 31.64 3abl s PRO 7 CO 0.28 -0.55 1.31 1.04 0.04 0.00 0.00 177.00 179.12 3abl n GLN 8 N -2.32 2.14 0.00 4.56 1.13 -1.26 -4.93 117.38 116.70 3abl n GLN 8 Ca 0.04 0.75 0.00 0.00 -1.94 0.00 0.00 57.00 55.86 3abl n GLN 8 Cb 0.58 -2.38 0.00 0.00 0.11 0.00 0.00 30.24 28.55 3abl n GLN 8 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 3abl n MET 9 N 0.40 2.37 -4.65 -1.09 2.81 -1.26 -5.03 117.12 110.67 3abl n MET 9 Ca 0.05 -0.05 -0.30 0.00 -1.81 0.00 0.00 57.70 55.59 3abl n MET 9 Cb 0.37 -0.34 -0.13 0.00 -0.71 0.00 0.00 33.22 32.42 3abl n MET 9 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3abl s ARG 10 N -0.35 1.84 -1.74 0.03 0.52 -1.26 -4.73 118.95 113.25 3abl s ARG 10 Ca 0.00 -1.11 -0.01 0.00 -0.52 0.00 0.00 55.73 54.09 3abl s ARG 10 Cb 0.00 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 33.41 3abl s ARG 10 CO 0.00 0.51 0.07 0.41 0.02 0.00 0.00 175.30 176.31 3abl n GLY 11 N 1.42 -0.48 0.31 -3.53 0.00 -1.26 -4.91 105.19 96.74 3abl n GLY 11 Ca -0.17 -0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 3abl n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3abl h LEU 12 N -0.15 0.76 -0.17 0.99 3.38 -1.96 -0.06 115.31 118.10 3abl h LEU 12 Ca -0.49 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.22 3abl h LEU 12 Cb 1.36 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3abl h LEU 12 CO 0.58 0.70 -0.48 0.25 0.09 0.00 0.00 178.44 179.58 3abl h LEU 13 N 0.82 0.71 -0.72 1.67 5.85 -1.99 -2.43 115.31 119.21 3abl h LEU 13 Ca 0.19 -0.59 -0.11 0.00 0.84 0.00 0.00 57.88 58.21 3abl h LEU 13 Cb 0.20 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3abl h LEU 13 CO -0.01 1.17 -0.22 0.00 -0.34 0.00 0.00 178.44 179.03 3abl h ALA 14 N 0.55 0.90 -0.27 1.25 0.00 -1.89 -1.37 119.26 118.44 3abl h ALA 14 Ca -0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 3abl h ALA 14 Cb 1.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3abl h ALA 14 CO 0.10 0.62 0.04 -0.09 0.00 0.00 0.00 179.25 179.93 3abl h ARG 15 N 0.65 0.45 -0.70 0.00 1.12 -1.05 -0.44 114.38 114.41 3abl h ARG 15 Ca 0.09 -0.12 0.01 0.00 -1.11 0.00 0.00 59.98 58.85 3abl h ARG 15 Cb 0.72 -0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 30.59 3abl h ARG 15 CO 0.06 0.57 0.46 -0.09 -3.11 0.00 0.00 179.97 177.86 3abl h ARG 16 N 0.27 0.91 0.11 0.20 2.43 -1.16 -2.16 114.38 114.96 3abl h ARG 16 Ca 0.08 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3abl h ARG 16 Cb 0.34 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3abl h ARG 16 CO 0.01 0.60 -0.07 1.25 -1.51 0.00 0.00 179.97 180.24 3abl h LEU 17 N 0.93 -0.18 0.27 3.80 5.85 -0.76 -2.10 115.31 123.12 3abl h LEU 17 Ca 0.26 0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.00 3abl h LEU 17 Cb -0.08 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3abl h LEU 17 CO -0.07 -0.12 -0.36 -0.09 -0.34 0.00 0.00 178.44 177.47 3abl h ARG 18 N -0.18 -0.66 -0.80 1.25 2.43 -0.99 -0.27 114.38 115.17 3abl h ARG 18 Ca -0.01 0.04 0.18 0.00 -0.81 0.00 0.00 59.98 59.39 3abl h ARG 18 Cb 0.16 0.15 -0.15 0.00 -0.42 0.00 0.00 29.97 29.71 3abl h ARG 18 CO 0.00 -0.44 -0.07 0.35 -1.51 0.00 0.00 179.97 178.31 3abl h PHE 19 N -0.68 -0.19 0.00 2.20 3.04 -1.29 -2.62 116.94 117.40 3abl h PHE 19 Ca -0.01 0.06 -0.07 0.00 3.98 0.00 0.00 57.97 61.94 3abl h PHE 19 Cb 0.65 0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.36 3abl h PHE 19 CO -0.24 -0.30 -0.51 0.45 -2.02 0.00 0.00 178.31 175.68 3abl h HIS 20 N 0.05 0.00 -0.16 0.41 3.86 -0.70 -2.37 115.15 116.24 3abl h HIS 20 Ca 0.42 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.44 3abl h HIS 20 Cb 0.73 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.20 3abl h HIS 20 CO -0.51 0.31 -0.69 0.82 0.86 0.00 0.00 177.93 178.72 3abl h ILE 21 N 0.00 1.31 -0.28 2.45 1.08 -0.72 -0.50 117.51 120.86 3abl h ILE 21 Ca -0.02 -1.95 -0.08 0.00 -0.39 0.00 0.00 64.86 62.42 3abl h ILE 21 Cb 1.26 1.93 -0.01 0.00 -3.07 0.00 0.00 36.82 36.92 3abl h ILE 21 CO 0.04 0.61 -0.12 0.58 -0.69 0.00 0.00 178.15 178.57 3abl h VAL 22 N 0.47 1.29 -0.10 1.67 2.07 -1.48 0.58 116.25 120.75 3abl h VAL 22 Ca -0.03 -1.20 0.03 0.00 0.82 0.00 0.00 66.70 66.32 3abl h VAL 22 Cb 1.29 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 32.48 3abl h VAL 22 CO 0.14 0.38 -0.52 1.23 0.02 0.00 0.00 177.57 178.82 3abl h GLY 23 N 0.32 -1.02 -0.01 2.17 0.00 -1.37 -0.02 103.07 103.15 3abl h GLY 23 Ca 0.06 0.64 0.10 0.00 0.00 0.00 0.00 47.33 48.13 3abl h GLY 23 CO 0.04 -0.21 -0.15 0.00 0.00 0.00 0.00 176.54 176.21 3abl h ALA 24 N -0.24 0.25 -0.37 3.60 0.00 -0.84 0.59 119.26 122.26 3abl h ALA 24 Ca 0.04 0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.20 3abl h ALA 24 Cb 0.69 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 3abl h ALA 24 CO -0.41 -0.48 -0.22 0.35 0.00 0.00 0.00 179.25 178.48 3abl h PHE 25 N -0.05 -0.57 -0.19 0.00 3.57 -0.63 -1.78 116.94 117.29 3abl h PHE 25 Ca 0.23 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.81 3abl h PHE 25 Cb 0.39 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 3abl h PHE 25 CO -0.44 -0.30 -0.04 0.52 -2.23 0.00 0.00 178.31 175.82 3abl h MET 26 N -0.17 0.01 -0.94 1.11 2.86 -0.09 -1.65 114.93 116.06 3abl h MET 26 Ca 0.18 -0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.98 3abl h MET 26 Cb 0.45 -0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.02 3abl h MET 26 CO -0.47 0.00 0.60 0.28 1.06 0.00 0.00 176.91 178.39 3abl h VAL 27 N 0.01 0.80 -0.04 -2.22 2.07 -0.75 -1.93 116.25 114.18 3abl h VAL 27 Ca 0.09 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 3abl h VAL 27 Cb 0.14 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 3abl h VAL 27 CO -0.19 0.13 -0.21 0.28 0.02 0.00 0.00 177.57 177.60 3abl h SER 28 N 0.72 0.26 -0.65 0.57 0.02 -0.42 0.87 113.55 114.92 3abl h SER 28 Ca 0.49 -0.66 0.08 0.00 -0.84 0.00 0.00 61.79 60.87 3abl h SER 28 Cb 0.79 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 63.19 3abl h SER 28 CO -0.25 0.87 0.31 -0.07 -1.14 0.00 0.00 176.83 176.55 3abl h LEU 29 N -0.34 0.41 -1.72 5.07 4.07 -1.38 -0.11 115.31 121.30 3abl h LEU 29 Ca -0.01 0.06 -0.02 0.00 0.08 0.00 0.00 57.88 57.98 3abl h LEU 29 Cb 0.87 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.59 3abl h LEU 29 CO 0.04 0.25 -0.09 1.23 -1.08 0.00 0.00 178.44 178.79 3abl h GLY 30 N 0.56 0.06 0.81 0.83 0.00 -1.08 -2.06 103.07 102.19 3abl h GLY 30 Ca 0.31 -0.03 -0.26 0.00 0.00 0.00 0.00 47.33 47.36 3abl h GLY 30 CO -0.25 0.03 -1.18 -2.75 0.00 0.00 0.00 176.54 172.39 3abl h PHE 31 N 0.06 0.64 -0.44 5.60 3.04 -0.22 -2.68 116.94 122.93 3abl h PHE 31 Ca 0.01 -0.47 0.09 0.00 3.98 0.00 0.00 57.97 61.58 3abl h PHE 31 Cb 0.20 -0.03 -0.10 0.00 2.56 0.00 0.00 35.95 38.59 3abl h PHE 31 CO 0.00 1.46 -0.31 0.00 -2.02 0.00 0.00 178.31 177.44 3abl h ALA 32 N 0.07 -0.10 -0.34 2.41 0.00 -1.02 0.25 119.26 120.53 3abl h ALA 32 Ca -0.22 0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.88 3abl h ALA 32 Cb 1.83 0.69 -0.09 0.00 0.00 0.00 0.00 17.79 20.22 3abl h ALA 32 CO 0.16 -0.69 -0.33 1.15 0.00 0.00 0.00 179.25 179.55 3abl h THR 33 N -0.21 0.24 -0.56 0.00 2.02 -1.39 -0.15 112.91 112.85 3abl h THR 33 Ca 0.19 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.33 3abl h THR 33 Cb 0.53 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 3abl h THR 33 CO -0.56 0.00 0.17 0.15 0.37 0.00 0.00 175.52 175.65 3abl h PHE 34 N -0.29 0.84 -0.09 3.16 3.57 -1.09 -2.69 116.94 120.36 3abl h PHE 34 Ca 0.15 -0.06 -0.23 0.00 3.53 0.00 0.00 57.97 61.36 3abl h PHE 34 Cb 0.54 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 39.04 3abl h PHE 34 CO -0.51 0.68 -0.86 -0.92 -2.23 0.00 0.00 178.31 174.47 3abl h TYR 35 N 0.81 0.95 0.00 0.41 3.20 0.79 0.18 116.97 123.31 3abl h TYR 35 Ca 0.19 -0.46 -0.02 0.00 3.14 0.00 0.00 58.73 61.58 3abl h TYR 35 Cb 0.23 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 3abl h TYR 35 CO 0.01 1.28 -0.11 0.87 -1.64 0.00 0.00 178.16 178.57 3abl h LYS 36 N 0.44 0.00 0.00 1.82 1.57 -1.04 -1.32 116.57 118.03 3abl h LYS 36 Ca -0.07 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3abl h LYS 36 Cb 1.49 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.80 3abl h LYS 36 CO 0.17 0.11 -0.10 0.35 -0.57 0.00 0.00 179.45 179.40 3abl h PHE 37 N 0.00 0.00 0.00 -1.35 3.04 -1.33 0.17 116.94 117.46 3abl h PHE 37 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 3abl h PHE 37 Cb 0.29 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.80 3abl h PHE 37 CO 0.00 0.78 -0.17 0.00 -2.02 0.00 0.00 178.31 176.90 3abl h ALA 38 N -0.29 0.90 0.00 2.41 0.00 -0.51 -3.28 119.26 118.48 3abl h ALA 38 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3abl h ALA 38 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3abl h ALA 38 CO -0.02 0.00 0.00 0.28 0.00 0.00 0.00 179.25 179.51 3abl n VAL 39 N -2.47 0.28 0.41 0.00 0.31 -0.52 -4.74 118.33 111.60 3abl n VAL 39 Ca 0.04 0.09 -0.18 0.00 -0.01 0.00 0.00 64.34 64.29 3abl n VAL 39 Cb 0.46 -0.77 -0.09 0.00 -0.91 0.00 0.00 33.84 32.53 3abl n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3abl h ALA 40 N 0.00 -1.04 -0.49 3.52 0.00 -1.61 -0.07 119.26 119.58 3abl h ALA 40 Ca 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3abl h ALA 40 Cb 0.00 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3abl h ALA 40 CO 0.00 -1.03 0.07 0.93 0.00 0.00 0.00 179.25 179.22 3abl h GLU 41 N -1.15 0.76 -0.90 0.00 4.39 -0.87 -1.79 114.58 115.02 3abl h GLU 41 Ca -0.11 -0.17 0.10 0.00 0.34 0.00 0.00 59.36 59.52 3abl h GLU 41 Cb 0.81 -0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.28 3abl h GLU 41 CO 0.17 0.73 0.54 -0.22 -1.16 0.00 0.00 179.01 179.07 3abl h LYS 42 N 0.73 0.87 -0.05 2.33 3.64 -1.60 -0.78 116.57 121.70 3abl h LYS 42 Ca 0.15 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3abl h LYS 42 Cb 0.35 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3abl h LYS 42 CO 0.01 0.58 -0.19 -0.09 -2.27 0.00 0.00 179.45 177.48 3abl h ARG 43 N 0.90 0.22 -0.37 1.90 2.43 -0.37 -1.32 114.38 117.77 3abl h ARG 43 Ca 0.43 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.41 3abl h ARG 43 Cb 0.39 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 3abl h ARG 43 CO -0.25 0.80 0.11 0.87 -1.51 0.00 0.00 179.97 180.00 3abl h LYS 44 N -0.31 0.53 0.11 0.20 1.57 -1.16 -1.47 116.57 116.04 3abl h LYS 44 Ca -0.01 -0.08 -0.29 0.00 -1.87 0.00 0.00 60.65 58.41 3abl h LYS 44 Cb 0.83 -0.10 0.02 0.00 0.08 0.00 0.00 32.23 33.07 3abl h LYS 44 CO 0.04 0.47 -1.22 -0.22 -0.57 0.00 0.00 179.45 177.95 3abl h LYS 45 N 0.52 0.55 -0.55 3.15 3.64 -1.09 -1.20 116.57 121.60 3abl h LYS 45 Ca 0.13 -0.74 0.04 0.00 -1.27 0.00 0.00 60.65 58.80 3abl h LYS 45 Cb 0.16 0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 3abl h LYS 45 CO -0.01 1.33 0.30 0.00 -2.27 0.00 0.00 179.45 178.80 3abl h ALA 46 N 0.38 0.71 -0.28 5.00 0.00 -0.69 0.12 119.26 124.50 3abl h ALA 46 Ca -0.17 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3abl h ALA 46 Cb 1.89 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 3abl h ALA 46 CO 0.23 -0.03 -0.20 1.88 0.00 0.00 0.00 179.25 181.13 3abl h TYR 47 N 0.58 0.74 -0.08 0.00 -1.99 -1.11 -1.20 116.97 113.91 3abl h TYR 47 Ca 0.24 -0.20 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3abl h TYR 47 Cb 0.11 -0.16 -0.00 0.00 2.00 0.00 0.00 36.73 38.68 3abl h TYR 47 CO -0.09 0.90 0.05 0.00 -0.00 0.00 0.00 178.16 179.03 3abl h ALA 48 N 0.72 0.10 -0.59 3.88 0.00 -1.07 -1.56 119.26 120.74 3abl h ALA 48 Ca 0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3abl h ALA 48 Cb 0.74 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3abl h ALA 48 CO 0.05 -0.40 0.07 -0.44 0.00 0.00 0.00 179.25 178.53 3abl h ASP 49 N 0.10 0.94 -0.12 0.00 3.45 -0.78 -2.10 116.42 117.91 3abl h ASP 49 Ca 0.03 -0.22 -0.00 0.00 0.43 0.00 0.00 57.03 57.26 3abl h ASP 49 Cb -0.00 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.51 3abl h ASP 49 CO -0.01 0.95 0.06 0.15 -1.57 0.00 0.00 179.24 178.82 3abl h PHE 50 N 0.92 0.16 0.00 4.55 3.57 -0.79 -3.20 116.94 122.16 3abl h PHE 50 Ca 0.18 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3abl h PHE 50 Cb 0.44 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.12 3abl h PHE 50 CO 0.03 0.21 -0.32 0.66 -2.23 0.00 0.00 178.31 176.66 3abl n TYR 51 N -4.94 0.23 -0.08 0.41 4.02 -0.62 -3.91 117.16 112.27 3abl n TYR 51 Ca -0.05 0.07 -0.07 0.00 -0.01 0.00 0.00 57.90 57.84 3abl n TYR 51 Cb 0.09 -0.49 -0.01 0.00 -0.02 0.00 0.00 39.34 38.91 3abl n TYR 51 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3abl h ARG 52 N 0.00 -0.05 -0.15 -0.72 2.43 -1.37 -2.75 114.38 111.77 3abl h ARG 52 Ca 0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 3abl h ARG 52 Cb 0.58 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.07 3abl h ARG 52 CO 0.00 -0.04 -0.49 0.09 -1.51 0.00 0.00 179.97 178.03 3abl n ASN 53 N -5.29 2.28 -4.75 -3.80 3.02 -1.26 -5.07 115.26 100.38 3abl n ASN 53 Ca 0.00 -3.88 -0.41 0.00 -0.03 0.00 0.00 54.58 50.27 3abl n ASN 53 Cb 0.21 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 38.83 3abl n ASN 53 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3abl s TYR 54 N -3.30 3.24 -0.35 3.10 5.04 -1.04 -4.98 117.35 119.07 3abl s TYR 54 Ca 0.41 1.38 0.01 0.00 -2.44 0.00 0.00 57.07 56.42 3abl s TYR 54 Cb 0.38 -3.57 0.09 0.00 0.35 0.00 0.00 41.96 39.21 3abl s TYR 54 CO -0.05 -1.63 0.08 0.34 -1.34 0.00 0.00 175.55 172.95 3abl s ASP 55 N -0.18 4.91 0.39 4.32 -1.08 -1.26 -4.97 116.67 118.81 3abl s ASP 55 Ca 0.52 -1.92 0.09 0.00 -0.52 0.00 0.00 52.55 50.71 3abl s ASP 55 Cb -0.37 -1.70 0.81 0.00 -1.46 0.00 0.00 42.92 40.20 3abl s ASP 55 CO 0.44 -0.40 1.95 0.77 0.52 0.00 0.00 175.17 178.45 3abl h SER 56 N 7.82 0.26 0.18 -0.34 4.64 -1.99 -0.74 113.55 123.39 3abl h SER 56 Ca -0.11 -0.04 -0.25 0.00 -0.47 0.00 0.00 61.79 60.92 3abl h SER 56 Cb 1.04 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 63.07 3abl h SER 56 CO 0.57 0.37 -1.02 0.24 -0.87 0.00 0.00 176.83 176.13 3abl h MET 57 N 0.28 0.55 -0.30 4.77 2.86 -1.99 0.31 114.93 121.40 3abl h MET 57 Ca 0.06 -0.61 -0.08 0.00 -2.06 0.00 0.00 59.70 57.01 3abl h MET 57 Cb 0.29 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 3abl h MET 57 CO 0.01 1.23 -0.17 -0.22 1.06 0.00 0.00 176.91 178.82 3abl h LYS 58 N 0.30 0.54 0.06 1.72 3.64 -1.89 0.79 116.57 121.74 3abl h LYS 58 Ca -0.11 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3abl h LYS 58 Cb 1.66 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 3abl h LYS 58 CO 0.19 0.69 -0.03 0.22 -2.27 0.00 0.00 179.45 178.25 3abl h ASP 59 N 0.49 -0.07 -0.65 4.20 -0.00 -0.46 -2.02 116.42 117.91 3abl h ASP 59 Ca 0.08 -0.19 0.13 0.00 -0.00 0.00 0.00 57.03 57.06 3abl h ASP 59 Cb 0.57 0.02 -0.10 0.00 -0.00 0.00 0.00 39.33 39.82 3abl h ASP 59 CO 0.04 0.15 0.13 0.15 -0.00 0.00 0.00 179.24 179.70 3abl h PHE 60 N -0.29 0.20 -0.68 0.28 3.04 0.09 -1.76 116.94 117.82 3abl h PHE 60 Ca -0.01 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.94 3abl h PHE 60 Cb 0.25 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.74 3abl h PHE 60 CO -0.01 -0.06 0.25 0.93 -2.02 0.00 0.00 178.31 177.40 3abl h GLU 61 N 0.25 1.01 -0.71 1.11 4.39 -0.67 0.41 114.58 120.38 3abl h GLU 61 Ca 0.35 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 3abl h GLU 61 Cb 0.55 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 3abl h GLU 61 CO -0.46 0.84 0.31 0.93 -1.16 0.00 0.00 179.01 179.48 3abl h GLU 62 N 0.99 1.04 -0.33 2.33 5.08 -0.79 0.61 114.58 123.51 3abl h GLU 62 Ca 0.23 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 3abl h GLU 62 Cb 0.23 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3abl h GLU 62 CO -0.02 0.84 -0.38 0.52 -1.00 0.00 0.00 179.01 178.97 3abl h MET 63 N 1.00 0.84 -0.28 2.33 2.86 -0.42 -1.29 114.93 119.96 3abl h MET 63 Ca 0.24 -0.46 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 3abl h MET 63 Cb 0.16 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3abl h MET 63 CO -0.03 1.10 0.17 -0.09 1.06 0.00 0.00 176.91 179.12 3abl h ARG 64 N 0.62 0.38 0.00 1.72 2.43 -0.02 -1.98 114.38 117.53 3abl h ARG 64 Ca 0.05 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3abl h ARG 64 Cb 0.97 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 3abl h ARG 64 CO 0.09 0.30 -0.21 0.87 -1.51 0.00 0.00 179.97 179.51 3abl h LYS 65 N 0.36 0.00 0.00 0.20 1.57 -0.68 0.13 116.57 118.15 3abl h LYS 65 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3abl h LYS 65 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3abl h LYS 65 CO -0.02 0.21 0.00 0.00 -0.57 0.00 0.00 179.45 179.07 3abl n ALA 66 N -2.43 2.04 -1.84 3.86 0.00 -0.51 -4.93 120.51 116.70 3abl n ALA 66 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 3abl n ALA 66 Cb 0.29 -1.40 -0.00 0.00 0.00 0.00 0.00 19.45 18.34 3abl n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3abl n GLY 67 N 0.83 0.36 0.17 0.00 0.00 0.46 -4.97 105.19 102.04 3abl n GLY 67 Ca 0.05 -0.90 0.12 0.00 0.00 0.00 0.00 46.02 45.29 3abl n GLY 67 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3abl h ILE 68 N 0.00 0.00 -3.16 -0.61 3.07 -1.71 -3.47 117.51 111.63 3abl h ILE 68 Ca -0.01 -1.00 -0.58 0.00 1.55 0.00 0.00 64.86 64.82 3abl h ILE 68 Cb 0.85 1.77 -0.04 0.00 -0.27 0.00 0.00 36.82 39.13 3abl h ILE 68 CO 0.02 0.00 -0.16 -0.36 -1.05 0.00 0.00 178.15 176.60 3abl s PHE 69 N -3.28 3.66 0.11 0.16 2.99 -1.26 -5.00 117.98 115.36 3abl s PHE 69 Ca 0.04 0.99 0.08 0.00 0.00 0.00 0.00 56.93 58.03 3abl s PHE 69 Cb 0.07 -2.30 -0.14 0.00 0.00 0.00 0.00 43.02 40.65 3abl s PHE 69 CO 0.72 0.53 1.32 1.96 -0.00 0.00 0.00 175.22 179.76 3abl h GLN 70 N 4.03 0.00 -0.00 0.44 4.20 -2.02 -3.37 115.11 118.39 3abl h GLN 70 Ca -0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.21 3abl h GLN 70 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 3abl h GLN 70 CO 0.64 0.93 -0.65 -1.13 -0.67 0.00 0.00 178.83 177.95 3abl n SER 71 N -3.38 1.08 -3.61 1.46 3.41 -1.26 -4.84 113.62 106.48 3abl n SER 71 Ca 0.00 -0.89 -0.25 0.00 -0.26 0.00 0.00 58.87 57.47 3abl n SER 71 Cb 0.90 0.56 -0.17 0.00 -0.26 0.00 0.00 64.21 65.24 3abl n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3abl s ALA 72 N -2.82 0.36 -2.79 7.33 0.00 -1.26 -5.26 121.76 117.33 3abl s ALA 72 Ca 0.13 -0.22 0.26 0.00 0.00 0.00 0.00 51.96 52.14 3abl s ALA 72 Cb 0.17 -1.00 0.55 0.00 0.00 0.00 0.00 23.12 22.85 3abl s ALA 72 CO 0.71 -1.09 1.46 1.63 0.00 0.00 0.00 175.76 178.47