#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dyr s ALA 3 N 0.00 1.25 -0.02 2.41 0.00 -1.26 -5.08 121.76 119.07 2dyr s ALA 3 Ca 0.00 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.46 2dyr s ALA 3 Cb 0.00 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 2dyr s ALA 3 CO 0.00 -2.72 -0.12 -0.51 0.00 0.00 0.00 175.76 172.41 2dyr s LEU 4 N -6.34 2.88 0.28 0.00 1.43 -1.26 -5.12 118.68 110.55 2dyr s LEU 4 Ca 0.66 -0.21 -0.18 0.00 -1.03 0.00 0.00 54.13 53.37 2dyr s LEU 4 Cb -0.16 -1.64 -0.09 0.00 0.03 0.00 0.00 46.19 44.34 2dyr s LEU 4 CO 0.56 0.31 0.75 0.00 0.23 0.00 0.00 176.35 178.20 2dyr s ALA 5 N -0.86 3.35 -0.29 4.21 0.00 -1.26 -4.99 121.76 121.91 2dyr s ALA 5 Ca 0.14 0.14 -0.28 0.00 0.00 0.00 0.00 51.96 51.96 2dyr s ALA 5 Cb -0.11 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.14 2dyr s ALA 5 CO 0.04 0.31 2.18 0.21 0.00 0.00 0.00 175.76 178.50 2dyr s LYS 6 N -2.46 2.97 0.71 0.00 2.20 -1.26 -4.98 119.74 116.92 2dyr s LYS 6 Ca 0.49 1.80 -0.11 0.00 -0.36 0.00 0.00 55.97 57.79 2dyr s LYS 6 Cb -0.14 -4.38 0.02 0.00 -1.51 0.00 0.00 37.83 31.82 2dyr s LYS 6 CO 0.19 -2.29 1.09 -1.25 -0.36 0.00 0.00 175.35 172.73 2dyr s PRO 7 N 6.59 2.72 0.11 4.03 0.04 -1.26 -4.99 135.00 142.25 2dyr s PRO 7 Ca 0.96 0.34 -0.31 0.00 0.04 0.00 0.00 61.00 62.04 2dyr s PRO 7 Cb -0.28 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.14 2dyr s PRO 7 CO 0.33 -1.09 1.41 -1.14 0.04 0.00 0.00 177.00 176.55 2dyr s GLN 8 N -5.35 4.31 -0.00 4.56 -0.44 -1.26 -4.91 119.66 116.57 2dyr s GLN 8 Ca 0.58 2.10 0.01 0.00 -2.50 0.00 0.00 55.36 55.55 2dyr s GLN 8 Cb -0.11 -3.26 -0.01 0.00 -1.64 0.00 0.00 33.01 27.99 2dyr s GLN 8 CO 0.50 -0.46 0.03 -1.33 0.50 0.00 0.00 175.29 174.54 2dyr n MET 9 N 4.03 5.99 -4.26 1.67 2.81 -1.26 -5.00 117.12 121.09 2dyr n MET 9 Ca 0.12 -0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.70 2dyr n MET 9 Cb 0.42 -0.59 -0.10 0.00 -0.71 0.00 0.00 33.22 32.24 2dyr n MET 9 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2dyr s ARG 10 N -1.19 2.31 -1.46 0.03 0.52 -1.26 -4.74 118.95 113.16 2dyr s ARG 10 Ca 0.00 -0.92 -0.10 0.00 -0.52 0.00 0.00 55.73 54.20 2dyr s ARG 10 Cb 0.01 -2.40 0.05 0.00 0.52 0.00 0.00 34.95 33.13 2dyr s ARG 10 CO 0.03 0.54 0.85 0.41 0.02 0.00 0.00 175.30 177.15 2dyr n GLY 11 N 0.86 -0.51 0.21 -3.53 0.00 -1.26 -4.91 105.19 96.05 2dyr n GLY 11 Ca -0.13 0.17 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 2dyr n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dyr h LEU 12 N -1.86 0.38 -0.06 0.99 3.38 -1.95 -0.82 115.31 115.37 2dyr h LEU 12 Ca -0.54 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.24 2dyr h LEU 12 Cb 1.36 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 2dyr h LEU 12 CO 0.60 0.74 -0.08 0.25 0.09 0.00 0.00 178.44 180.04 2dyr h LEU 13 N 0.30 0.17 -0.91 1.67 5.85 -1.99 -2.19 115.31 118.23 2dyr h LEU 13 Ca 0.03 -0.51 -0.04 0.00 0.84 0.00 0.00 57.88 58.20 2dyr h LEU 13 Cb 0.82 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 2dyr h LEU 13 CO 0.07 0.65 0.33 0.00 -0.34 0.00 0.00 178.44 179.15 2dyr h ALA 14 N 0.53 1.14 -0.61 1.25 0.00 -1.95 -1.15 119.26 118.47 2dyr h ALA 14 Ca 0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2dyr h ALA 14 Cb 0.61 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2dyr h ALA 14 CO 0.02 0.63 0.27 -0.09 0.00 0.00 0.00 179.25 180.08 2dyr h ARG 15 N 1.11 0.90 -0.48 0.00 2.43 -1.14 -0.63 114.38 116.56 2dyr h ARG 15 Ca 0.26 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 2dyr h ARG 15 Cb 0.17 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 2dyr h ARG 15 CO -0.03 0.75 0.18 -0.09 -1.51 0.00 0.00 179.97 179.27 2dyr h ARG 16 N 0.84 0.73 0.03 0.20 2.43 -1.03 -2.19 114.38 115.39 2dyr h ARG 16 Ca 0.21 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2dyr h ARG 16 Cb 0.17 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2dyr h ARG 16 CO -0.02 0.67 -0.01 1.25 -1.51 0.00 0.00 179.97 180.34 2dyr h LEU 17 N 0.64 -0.03 -0.45 3.80 5.85 -0.92 -2.16 115.31 122.04 2dyr h LEU 17 Ca 0.16 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.89 2dyr h LEU 17 Cb 0.21 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 2dyr h LEU 17 CO -0.01 0.04 0.13 0.03 -0.34 0.00 0.00 178.44 178.29 2dyr h ARG 18 N -0.09 0.28 -0.57 1.25 3.08 -0.98 0.56 114.38 117.91 2dyr h ARG 18 Ca -0.00 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.03 2dyr h ARG 18 Cb 0.08 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 2dyr h ARG 18 CO 0.01 0.19 0.38 0.35 -1.07 0.00 0.00 179.97 179.82 2dyr h PHE 19 N 0.29 0.72 0.00 3.04 3.04 -1.30 -2.33 116.94 120.40 2dyr h PHE 19 Ca 0.21 0.02 -0.10 0.00 3.98 0.00 0.00 57.97 62.08 2dyr h PHE 19 Cb 0.23 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 2dyr h PHE 19 CO -0.18 0.45 -0.48 0.45 -2.02 0.00 0.00 178.31 176.54 2dyr h HIS 20 N 0.77 0.00 -0.27 0.41 3.86 -0.97 -2.13 115.15 116.82 2dyr h HIS 20 Ca 0.21 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.29 2dyr h HIS 20 Cb -0.09 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.38 2dyr h HIS 20 CO -0.03 0.48 -0.35 0.82 0.86 0.00 0.00 177.93 179.71 2dyr h ILE 21 N 0.00 1.30 -0.61 2.45 1.08 -0.73 -1.14 117.51 119.85 2dyr h ILE 21 Ca -0.00 -1.53 -0.05 0.00 -0.39 0.00 0.00 64.86 62.88 2dyr h ILE 21 Cb 1.27 1.64 -0.03 0.00 -3.07 0.00 0.00 36.82 36.64 2dyr h ILE 21 CO 0.06 0.49 0.17 0.58 -0.69 0.00 0.00 178.15 178.77 2dyr h VAL 22 N 0.46 1.25 -0.61 1.67 2.07 -1.39 -1.72 116.25 117.96 2dyr h VAL 22 Ca 0.03 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 2dyr h VAL 22 Cb 0.93 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 2dyr h VAL 22 CO 0.08 0.33 0.17 1.23 0.02 0.00 0.00 177.57 179.41 2dyr h GLY 23 N 0.89 1.01 1.37 2.17 0.00 -1.31 -1.92 103.07 105.27 2dyr h GLY 23 Ca 0.20 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 2dyr h GLY 23 CO -0.00 0.54 0.13 0.00 0.00 0.00 0.00 176.54 177.21 2dyr h ALA 24 N 1.29 1.25 -0.42 3.60 0.00 -0.72 -1.51 119.26 122.74 2dyr h ALA 24 Ca 0.20 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2dyr h ALA 24 Cb 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2dyr h ALA 24 CO -0.01 0.52 -0.03 0.35 0.00 0.00 0.00 179.25 180.09 2dyr h PHE 25 N 0.77 0.84 -0.46 0.00 3.57 -0.86 -1.65 116.94 119.16 2dyr h PHE 25 Ca 0.17 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2dyr h PHE 25 Cb 0.28 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 2dyr h PHE 25 CO 0.02 0.85 0.29 0.52 -2.23 0.00 0.00 178.31 177.76 2dyr h MET 26 N 0.60 0.61 -0.08 1.11 2.86 -0.95 -1.92 114.93 117.16 2dyr h MET 26 Ca 0.12 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 2dyr h MET 26 Cb 0.53 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 2dyr h MET 26 CO 0.03 0.43 -0.21 0.28 1.06 0.00 0.00 176.91 178.50 2dyr h VAL 27 N 0.62 1.19 -0.33 -2.22 2.07 -1.17 -1.53 116.25 114.89 2dyr h VAL 27 Ca 0.17 -0.90 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 2dyr h VAL 27 Cb -0.04 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2dyr h VAL 27 CO -0.03 0.27 -0.11 0.28 0.02 0.00 0.00 177.57 177.99 2dyr h SER 28 N 0.13 0.66 -0.38 0.57 0.02 -0.79 -0.49 113.55 113.27 2dyr h SER 28 Ca 0.02 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 2dyr h SER 28 Cb 0.45 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2dyr h SER 28 CO 0.03 0.90 0.22 -0.07 -1.14 0.00 0.00 176.83 176.76 2dyr h LEU 29 N 0.43 0.47 -1.19 5.07 4.07 -1.09 0.12 115.31 123.19 2dyr h LEU 29 Ca 0.08 -0.08 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 2dyr h LEU 29 Cb 0.62 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 2dyr h LEU 29 CO 0.04 0.41 0.02 1.23 -1.08 0.00 0.00 178.44 179.06 2dyr h GLY 30 N 0.49 0.63 1.19 0.83 0.00 -1.17 -1.12 103.07 103.93 2dyr h GLY 30 Ca 0.14 -0.37 -0.22 0.00 0.00 0.00 0.00 47.33 46.88 2dyr h GLY 30 CO -0.02 0.34 -0.76 -2.75 0.00 0.00 0.00 176.54 173.35 2dyr h PHE 31 N 0.56 1.07 -0.24 5.60 3.04 -0.65 -2.00 116.94 124.31 2dyr h PHE 31 Ca 0.12 -0.47 0.00 0.00 3.98 0.00 0.00 57.97 61.61 2dyr h PHE 31 Cb 0.32 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.65 2dyr h PHE 31 CO 0.01 1.30 0.16 0.00 -2.02 0.00 0.00 178.31 177.76 2dyr h ALA 32 N 0.57 0.31 -0.95 2.41 0.00 -0.39 0.12 119.26 121.34 2dyr h ALA 32 Ca -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2dyr h ALA 32 Cb 1.39 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 2dyr h ALA 32 CO 0.16 -0.22 0.57 1.15 0.00 0.00 0.00 179.25 180.91 2dyr h THR 33 N 0.33 1.26 0.03 0.00 2.02 -1.22 0.38 112.91 115.71 2dyr h THR 33 Ca 0.09 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 2dyr h THR 33 Cb -0.04 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.29 2dyr h THR 33 CO -0.02 0.27 -0.02 0.15 0.37 0.00 0.00 175.52 176.28 2dyr h PHE 34 N 1.31 -0.04 -0.60 3.16 3.57 -1.01 -3.24 116.94 120.09 2dyr h PHE 34 Ca 0.34 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.84 2dyr h PHE 34 Cb -0.06 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 2dyr h PHE 34 CO 0.01 0.31 0.37 -0.92 -2.23 0.00 0.00 178.31 175.85 2dyr h TYR 35 N -0.40 0.78 0.00 0.41 3.20 -0.56 0.37 116.97 120.78 2dyr h TYR 35 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2dyr h TYR 35 Cb 0.37 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.38 2dyr h TYR 35 CO 0.04 0.52 0.00 1.63 -1.64 0.00 0.00 178.16 178.72 2dyr n LYS 36 N -4.63 0.73 0.00 1.82 5.02 0.10 -1.40 118.16 119.81 2dyr n LYS 36 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2dyr n LYS 36 Cb 0.04 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 2dyr n LYS 36 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2dyr n PHE 37 N 0.88 -1.40 0.94 2.13 -0.00 -0.97 -4.14 117.46 114.90 2dyr n PHE 37 Ca 0.00 0.02 0.14 0.00 -0.00 0.00 0.00 57.45 57.60 2dyr n PHE 37 Cb 0.37 0.53 0.55 0.00 -0.00 0.00 0.00 39.48 40.93 2dyr n PHE 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2dyr n ALA 38 N -2.51 2.43 0.11 3.13 0.00 0.08 -3.03 120.51 120.71 2dyr n ALA 38 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2dyr n ALA 38 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.01 2dyr n ALA 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dyr n VAL 39 N -1.62 0.47 0.36 0.00 0.31 -0.49 -4.76 118.33 112.60 2dyr n VAL 39 Ca 0.07 0.16 -0.14 0.00 -0.01 0.00 0.00 64.34 64.41 2dyr n VAL 39 Cb 0.35 -0.92 -0.07 0.00 -0.91 0.00 0.00 33.84 32.30 2dyr n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dyr h ALA 40 N 0.00 -1.13 -0.74 3.52 0.00 -1.71 -1.71 119.26 117.50 2dyr h ALA 40 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2dyr h ALA 40 Cb 0.00 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2dyr h ALA 40 CO 0.00 -1.06 0.45 0.93 0.00 0.00 0.00 179.25 179.57 2dyr h GLU 41 N -1.01 1.00 -0.63 0.00 4.39 -1.75 -2.08 114.58 114.50 2dyr h GLU 41 Ca -0.09 -0.09 0.09 0.00 0.34 0.00 0.00 59.36 59.61 2dyr h GLU 41 Cb 0.71 -0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 29.08 2dyr h GLU 41 CO 0.15 0.70 0.28 -0.22 -1.16 0.00 0.00 179.01 178.76 2dyr h LYS 42 N 1.00 0.48 -0.25 2.33 3.64 -1.58 -0.15 116.57 122.05 2dyr h LYS 42 Ca 0.26 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 2dyr h LYS 42 Cb -0.04 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 2dyr h LYS 42 CO -0.05 0.32 0.05 -0.09 -2.27 0.00 0.00 179.45 177.41 2dyr h ARG 43 N 0.50 0.40 -0.62 1.90 9.65 -0.88 -0.78 114.38 124.55 2dyr h ARG 43 Ca 0.31 -0.10 -0.01 0.00 -1.10 0.00 0.00 59.98 59.08 2dyr h ARG 43 Cb 0.34 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.84 2dyr h ARG 43 CO -0.27 0.52 0.36 0.87 2.80 0.00 0.00 179.97 184.25 2dyr h LYS 44 N 0.22 0.85 -0.47 0.20 1.57 -0.90 -2.47 116.57 115.57 2dyr h LYS 44 Ca 0.08 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2dyr h LYS 44 Cb 0.31 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2dyr h LYS 44 CO 0.00 0.62 -0.17 -0.22 -0.57 0.00 0.00 179.45 179.11 2dyr h LYS 45 N 0.84 0.91 -0.54 3.15 3.64 -0.97 -0.98 116.57 122.61 2dyr h LYS 45 Ca 0.22 -0.35 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2dyr h LYS 45 Cb 0.00 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 2dyr h LYS 45 CO -0.04 1.00 0.33 0.00 -2.27 0.00 0.00 179.45 178.48 2dyr h ALA 46 N 1.00 0.68 -0.14 5.00 0.00 -0.88 0.40 119.26 125.32 2dyr h ALA 46 Ca 0.12 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 2dyr h ALA 46 Cb 0.71 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.30 2dyr h ALA 46 CO 0.05 0.16 -0.70 1.88 0.00 0.00 0.00 179.25 180.64 2dyr h TYR 47 N 0.72 0.98 -0.67 0.00 -1.99 -1.41 -1.26 116.97 113.35 2dyr h TYR 47 Ca 0.19 -0.43 -0.04 0.00 2.00 0.00 0.00 58.73 60.45 2dyr h TYR 47 Cb -0.03 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 38.52 2dyr h TYR 47 CO -0.03 1.25 0.24 0.00 -0.00 0.00 0.00 178.16 179.63 2dyr h ALA 48 N 0.53 0.87 -0.37 3.88 0.00 -1.02 -1.37 119.26 121.78 2dyr h ALA 48 Ca -0.05 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 2dyr h ALA 48 Cb 1.33 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2dyr h ALA 48 CO 0.15 0.51 -0.03 -0.44 0.00 0.00 0.00 179.25 179.44 2dyr h ASP 49 N 0.96 0.68 -0.29 0.00 3.45 -0.19 -1.64 116.42 119.39 2dyr h ASP 49 Ca 0.22 -0.33 -0.01 0.00 0.43 0.00 0.00 57.03 57.34 2dyr h ASP 49 Cb 0.25 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.82 2dyr h ASP 49 CO -0.01 0.84 0.14 0.15 -1.57 0.00 0.00 179.24 178.79 2dyr h PHE 50 N 0.49 0.41 0.00 4.55 3.57 -0.97 -3.15 116.94 121.84 2dyr h PHE 50 Ca 0.10 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2dyr h PHE 50 Cb 0.52 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.13 2dyr h PHE 50 CO 0.04 0.37 -0.21 0.66 -2.23 0.00 0.00 178.31 176.94 2dyr n TYR 51 N -4.79 0.10 -0.06 0.41 4.02 -0.54 -3.81 117.16 112.49 2dyr n TYR 51 Ca -0.02 0.03 -0.07 0.00 -0.01 0.00 0.00 57.90 57.83 2dyr n TYR 51 Cb 0.10 -0.45 -0.01 0.00 -0.02 0.00 0.00 39.34 38.96 2dyr n TYR 51 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2dyr h ARG 52 N 0.00 -0.14 -0.27 -0.72 2.43 -1.25 -2.96 114.38 111.48 2dyr h ARG 52 Ca 0.00 0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 58.98 2dyr h ARG 52 Cb 0.53 0.03 -0.18 0.00 -0.42 0.00 0.00 29.97 29.93 2dyr h ARG 52 CO 0.00 -0.09 -0.66 0.09 -1.51 0.00 0.00 179.97 177.80 2dyr n ASN 53 N -5.33 2.74 -4.73 -3.80 3.02 -1.26 -5.05 115.26 100.85 2dyr n ASN 53 Ca -0.00 -3.68 -0.41 0.00 -0.03 0.00 0.00 54.58 50.45 2dyr n ASN 53 Cb 0.24 -0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 38.93 2dyr n ASN 53 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2dyr s TYR 54 N -3.19 3.38 -0.37 3.10 5.04 -1.12 -5.01 117.35 119.19 2dyr s TYR 54 Ca 0.42 1.34 0.00 0.00 -2.44 0.00 0.00 57.07 56.39 2dyr s TYR 54 Cb 0.38 -3.48 0.10 0.00 0.35 0.00 0.00 41.96 39.31 2dyr s TYR 54 CO -0.04 -1.42 0.11 0.34 -1.34 0.00 0.00 175.55 173.21 2dyr s ASP 55 N 0.33 4.99 0.31 4.32 -1.08 -1.26 -4.99 116.67 119.30 2dyr s ASP 55 Ca 0.55 -2.02 0.03 0.00 -0.52 0.00 0.00 52.55 50.59 2dyr s ASP 55 Cb -0.33 -1.72 0.53 0.00 -1.46 0.00 0.00 42.92 39.93 2dyr s ASP 55 CO 0.36 -0.44 1.83 0.77 0.52 0.00 0.00 175.17 178.21 2dyr h SER 56 N 7.84 0.53 -0.23 -0.34 4.64 -1.99 -1.10 113.55 122.91 2dyr h SER 56 Ca -0.10 -0.12 -0.14 0.00 -0.47 0.00 0.00 61.79 60.97 2dyr h SER 56 Cb 1.04 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2dyr h SER 56 CO 0.60 0.63 -0.39 0.24 -0.87 0.00 0.00 176.83 177.04 2dyr h MET 57 N 0.53 0.66 -0.73 4.77 2.86 -1.98 -0.62 114.93 120.41 2dyr h MET 57 Ca 0.11 -0.41 -0.03 0.00 -2.06 0.00 0.00 59.70 57.30 2dyr h MET 57 Cb 0.41 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 2dyr h MET 57 CO 0.02 1.03 0.33 -0.22 1.06 0.00 0.00 176.91 179.12 2dyr h LYS 58 N 0.36 1.07 -0.32 1.72 3.64 -1.95 0.14 116.57 121.23 2dyr h LYS 58 Ca 0.02 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2dyr h LYS 58 Cb 0.98 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 2dyr h LYS 58 CO 0.09 0.86 0.19 0.22 -2.27 0.00 0.00 179.45 178.53 2dyr h ASP 59 N 1.04 0.39 -0.70 4.20 -0.00 -1.13 -1.34 116.42 118.87 2dyr h ASP 59 Ca 0.25 -0.06 -0.03 0.00 -0.00 0.00 0.00 57.03 57.18 2dyr h ASP 59 Cb 0.16 -0.10 -0.03 0.00 -0.00 0.00 0.00 39.33 39.36 2dyr h ASP 59 CO -0.03 0.34 0.31 0.15 -0.00 0.00 0.00 179.24 180.01 2dyr h PHE 60 N 0.41 1.04 -0.66 0.28 3.04 -0.60 -1.97 116.94 118.48 2dyr h PHE 60 Ca 0.11 -0.07 0.02 0.00 3.98 0.00 0.00 57.97 62.02 2dyr h PHE 60 Cb 0.02 -0.32 -0.04 0.00 2.56 0.00 0.00 35.95 38.18 2dyr h PHE 60 CO -0.04 0.79 0.43 1.49 -2.02 0.00 0.00 178.31 178.96 2dyr h GLU 61 N 0.99 0.83 -0.57 1.11 4.57 -0.37 0.77 114.58 121.91 2dyr h GLU 61 Ca 0.24 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.37 2dyr h GLU 61 Cb 0.17 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 2dyr h GLU 61 CO -0.02 0.55 0.37 0.93 -1.18 0.00 0.00 179.01 179.66 2dyr h GLU 62 N 0.85 0.75 -0.49 1.92 5.08 -0.92 -0.35 114.58 121.43 2dyr h GLU 62 Ca 0.25 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.47 2dyr h GLU 62 Cb -0.04 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 2dyr h GLU 62 CO -0.08 0.50 -0.09 0.52 -1.00 0.00 0.00 179.01 178.86 2dyr h MET 63 N 0.77 0.89 -0.30 2.33 2.86 -0.87 -2.26 114.93 118.33 2dyr h MET 63 Ca 0.21 -0.30 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 2dyr h MET 63 Cb -0.09 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 2dyr h MET 63 CO -0.04 0.94 0.02 -0.09 1.06 0.00 0.00 176.91 178.79 2dyr h ARG 64 N 0.80 0.52 0.00 1.72 2.43 -0.32 -2.53 114.38 117.01 2dyr h ARG 64 Ca 0.13 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2dyr h ARG 64 Cb 0.60 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2dyr h ARG 64 CO 0.04 0.65 -0.06 0.87 -1.51 0.00 0.00 179.97 179.96 2dyr h LYS 65 N 0.33 0.00 0.00 0.20 1.57 -0.98 0.20 116.57 117.88 2dyr h LYS 65 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2dyr h LYS 65 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2dyr h LYS 65 CO 0.01 0.06 -0.23 0.00 -0.57 0.00 0.00 179.45 178.72 2dyr n ALA 66 N -2.26 2.80 -1.90 3.86 0.00 -0.86 -4.97 120.51 117.17 2dyr n ALA 66 Ca -0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 53.44 53.18 2dyr n ALA 66 Cb 0.16 -1.32 -0.00 0.00 0.00 0.00 0.00 19.45 18.28 2dyr n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dyr n GLY 67 N 1.47 0.29 0.21 0.00 0.00 0.69 -4.97 105.19 102.88 2dyr n GLY 67 Ca 0.06 -0.75 0.11 0.00 0.00 0.00 0.00 46.02 45.44 2dyr n GLY 67 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2dyr h ILE 68 N 0.00 0.12 -3.66 -0.61 3.07 -1.73 -3.46 117.51 111.24 2dyr h ILE 68 Ca -0.09 -1.13 -0.50 0.00 1.55 0.00 0.00 64.86 64.68 2dyr h ILE 68 Cb 0.93 2.02 -0.03 0.00 -0.27 0.00 0.00 36.82 39.47 2dyr h ILE 68 CO 0.11 0.07 0.13 -0.36 -1.05 0.00 0.00 178.15 177.05 2dyr s PHE 69 N -3.21 3.54 -0.09 0.16 2.99 -1.26 -4.99 117.98 115.12 2dyr s PHE 69 Ca 0.06 1.36 0.09 0.00 0.00 0.00 0.00 56.93 58.44 2dyr s PHE 69 Cb 0.06 -2.62 -0.24 0.00 0.00 0.00 0.00 43.02 40.22 2dyr s PHE 69 CO 0.67 0.23 0.49 0.94 -0.00 0.00 0.00 175.22 177.55 2dyr n GLN 70 N 0.28 0.67 0.00 0.44 7.27 -1.26 -4.27 117.38 120.50 2dyr n GLN 70 Ca 0.00 0.25 0.11 0.00 0.07 0.00 0.00 57.00 57.43 2dyr n GLN 70 Cb 0.52 -1.73 0.01 0.00 2.41 0.00 0.00 30.24 31.44 2dyr n GLN 70 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2dyr n SER 71 N -3.11 1.59 -3.61 1.69 3.41 -1.26 -4.80 113.62 107.52 2dyr n SER 71 Ca -0.23 -1.26 -0.25 0.00 -0.26 0.00 0.00 58.87 56.86 2dyr n SER 71 Cb 1.06 0.59 -0.17 0.00 -0.26 0.00 0.00 64.21 65.43 2dyr n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dyr s ALA 72 N -2.65 0.39 -2.91 7.33 0.00 -1.26 -5.26 121.76 117.39 2dyr s ALA 72 Ca 0.16 -0.24 0.25 0.00 0.00 0.00 0.00 51.96 52.12 2dyr s ALA 72 Cb 0.18 -0.99 0.34 0.00 0.00 0.00 0.00 23.12 22.64 2dyr s ALA 72 CO 0.66 -1.10 1.34 1.63 0.00 0.00 0.00 175.76 178.29