#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oco s THR 2 N 0.00 0.45 0.46 6.66 2.01 -1.26 -5.13 115.64 118.82 1oco s THR 2 Ca 0.00 -0.06 -0.23 0.00 0.31 0.00 0.00 61.69 61.71 1oco s THR 2 Cb 0.00 -0.50 -0.07 0.00 0.01 0.00 0.00 72.50 71.94 1oco s THR 2 CO 0.00 0.21 1.18 0.00 -0.69 0.00 0.00 174.62 175.32 1oco s ALA 3 N 1.04 2.99 0.68 7.40 0.00 -1.26 -5.01 121.76 127.60 1oco s ALA 3 Ca -0.09 0.97 -0.13 0.00 0.00 0.00 0.00 51.96 52.70 1oco s ALA 3 Cb -0.14 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.59 1oco s ALA 3 CO -0.01 -0.69 1.09 -0.51 0.00 0.00 0.00 175.76 175.64 1oco s LEU 4 N -3.00 3.28 -0.06 0.00 2.01 -1.26 -5.03 118.68 114.62 1oco s LEU 4 Ca 0.63 1.87 -0.08 0.00 0.01 0.00 0.00 54.13 56.56 1oco s LEU 4 Cb -0.30 -4.53 -0.05 0.00 0.01 0.00 0.00 46.19 41.33 1oco s LEU 4 CO 0.36 -1.63 0.23 0.00 1.01 0.00 0.00 176.35 176.32 1oco s ALA 5 N -2.61 3.83 0.01 4.21 0.00 -1.26 -5.03 121.76 120.92 1oco s ALA 5 Ca 0.64 -0.54 -0.32 0.00 0.00 0.00 0.00 51.96 51.74 1oco s ALA 5 Cb -0.18 -2.08 -0.10 0.00 0.00 0.00 0.00 23.12 20.75 1oco s ALA 5 CO 0.46 0.60 1.91 1.17 0.00 0.00 0.00 175.76 179.90 1oco n LYS 6 N 1.70 2.60 -2.40 0.00 4.81 -1.26 -4.98 118.16 118.63 1oco n LYS 6 Ca -0.16 0.95 -0.25 0.00 -0.87 0.00 0.00 58.31 57.98 1oco n LYS 6 Cb 0.54 -2.85 0.12 0.00 0.02 0.00 0.00 35.03 32.85 1oco n LYS 6 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1oco s PRO 7 N 3.91 1.56 -0.11 1.64 0.04 -1.26 -5.03 135.00 135.76 1oco s PRO 7 Ca 0.89 -0.83 -0.30 0.00 0.04 0.00 0.00 61.00 60.80 1oco s PRO 7 Cb -0.54 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.77 1oco s PRO 7 CO 0.44 -1.59 1.20 -1.14 0.04 0.00 0.00 177.00 175.95 1oco s GLN 8 N -5.30 4.31 0.00 4.56 -0.44 -1.26 -4.91 119.66 116.62 1oco s GLN 8 Ca 0.67 1.63 0.01 0.00 -2.50 0.00 0.00 55.36 55.17 1oco s GLN 8 Cb -0.06 -3.64 -0.01 0.00 -1.64 0.00 0.00 33.01 27.66 1oco s GLN 8 CO 0.46 -0.55 0.07 -1.33 0.50 0.00 0.00 175.29 174.45 1oco n MET 9 N 5.78 6.25 -4.27 1.67 2.81 -1.26 -4.98 117.12 123.12 1oco n MET 9 Ca 0.12 -0.03 -0.30 0.00 -1.81 0.00 0.00 57.70 55.68 1oco n MET 9 Cb 0.46 -0.58 -0.10 0.00 -0.71 0.00 0.00 33.22 32.29 1oco n MET 9 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1oco s ARG 10 N -1.07 2.23 -1.35 0.03 0.52 -1.26 -4.66 118.95 113.40 1oco s ARG 10 Ca 0.01 -0.96 -0.05 0.00 -0.52 0.00 0.00 55.73 54.21 1oco s ARG 10 Cb 0.01 -2.35 0.01 0.00 0.52 0.00 0.00 34.95 33.13 1oco s ARG 10 CO 0.05 0.53 0.60 0.41 0.02 0.00 0.00 175.30 176.90 1oco n GLY 11 N 0.86 -0.37 0.29 -3.53 0.00 -1.26 -4.90 105.19 96.27 1oco n GLY 11 Ca -0.14 0.03 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 1oco n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1oco h LEU 12 N -1.37 0.87 -0.09 0.99 3.38 -1.94 0.81 115.31 117.95 1oco h LEU 12 Ca -0.47 -0.26 -0.25 0.00 0.09 0.00 0.00 57.88 56.99 1oco h LEU 12 Cb 1.32 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.85 1oco h LEU 12 CO 0.50 0.98 -0.96 0.25 0.09 0.00 0.00 178.44 179.30 1oco h LEU 13 N 0.79 0.81 -0.37 1.67 5.85 -1.98 -2.93 115.31 119.16 1oco h LEU 13 Ca 0.13 -0.62 -0.05 0.00 0.84 0.00 0.00 57.88 58.18 1oco h LEU 13 Cb 0.59 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1oco h LEU 13 CO 0.04 1.42 0.03 0.00 -0.34 0.00 0.00 178.44 179.58 1oco h ALA 14 N 0.53 0.49 -0.77 1.25 0.00 -1.90 -1.83 119.26 117.03 1oco h ALA 14 Ca -0.10 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 54.70 1oco h ALA 14 Cb 1.60 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.17 1oco h ALA 14 CO 0.18 0.23 0.37 0.00 0.00 0.00 0.00 179.25 180.04 1oco h ARG 15 N 0.46 0.56 -0.28 0.00 -0.00 -0.88 -1.02 114.38 113.22 1oco h ARG 15 Ca 0.11 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.98 59.55 1oco h ARG 15 Cb 0.42 -0.13 -0.01 0.00 0.00 0.00 0.00 29.97 30.25 1oco h ARG 15 CO 0.01 0.37 0.14 -0.09 0.00 0.00 0.00 179.97 180.40 1oco h ARG 16 N 0.57 0.39 0.18 0.04 2.43 -1.28 -2.31 114.38 114.41 1oco h ARG 16 Ca 0.40 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 1oco h ARG 16 Cb 0.53 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1oco h ARG 16 CO -0.33 0.36 -0.09 1.25 -1.51 0.00 0.00 179.97 179.65 1oco h LEU 17 N 0.32 -0.21 -0.90 3.80 5.85 -0.76 -1.92 115.31 121.50 1oco h LEU 17 Ca 0.10 -0.13 0.18 0.00 0.84 0.00 0.00 57.88 58.87 1oco h LEU 17 Cb 0.10 0.05 -0.11 0.00 0.37 0.00 0.00 40.66 41.07 1oco h LEU 17 CO -0.01 0.01 0.46 0.03 -0.34 0.00 0.00 178.44 178.59 1oco h ARG 18 N -0.42 0.57 0.35 1.25 3.08 -1.15 0.10 114.38 118.16 1oco h ARG 18 Ca -0.02 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1oco h ARG 18 Cb 0.32 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1oco h ARG 18 CO 0.04 0.38 -0.17 0.35 -1.07 0.00 0.00 179.97 179.50 1oco h PHE 19 N 0.59 -0.43 0.00 3.04 3.57 -1.35 -3.32 116.94 119.03 1oco h PHE 19 Ca 0.52 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.92 1oco h PHE 19 Cb 0.84 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1oco h PHE 19 CO -0.08 -0.12 -0.41 0.45 -2.23 0.00 0.00 178.31 175.92 1oco h HIS 20 N -0.76 0.00 -0.80 0.41 3.86 -0.58 -3.23 115.15 114.05 1oco h HIS 20 Ca -0.05 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.24 1oco h HIS 20 Cb 0.51 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.91 1oco h HIS 20 CO 0.01 0.41 0.46 0.97 0.86 0.00 0.00 177.93 180.65 1oco h ILE 21 N 0.00 0.94 -0.78 2.45 6.09 -0.92 -0.12 117.51 125.17 1oco h ILE 21 Ca -0.00 -0.28 0.05 0.00 -1.37 0.00 0.00 64.86 63.26 1oco h ILE 21 Cb 0.89 0.07 -0.05 0.00 0.47 0.00 0.00 36.82 38.20 1oco h ILE 21 CO 0.05 0.15 0.48 0.58 -3.07 0.00 0.00 178.15 176.34 1oco h VAL 22 N 0.80 1.06 0.00 2.19 2.07 -1.70 0.93 116.25 121.61 1oco h VAL 22 Ca 0.37 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1oco h VAL 22 Cb 0.29 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1oco h VAL 22 CO -0.22 0.17 0.00 1.23 0.02 0.00 0.00 177.57 178.77 1oco h GLY 23 N 0.91 0.00 0.67 2.17 0.00 -1.23 0.23 103.07 105.83 1oco h GLY 23 Ca 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.57 1oco h GLY 23 CO -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 176.54 176.10 1oco h ALA 24 N 2.02 0.13 -0.74 3.60 0.00 0.83 -2.14 119.26 122.95 1oco h ALA 24 Ca 0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1oco h ALA 24 Cb 0.59 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1oco h ALA 24 CO 0.00 0.17 0.27 0.74 0.00 0.00 0.00 179.25 180.42 1oco h PHE 25 N -0.18 1.15 0.10 0.00 0.04 -0.92 -0.93 116.94 116.20 1oco h PHE 25 Ca -0.02 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1oco h PHE 25 Cb 0.94 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 1oco h PHE 25 CO 0.13 0.89 -0.11 1.98 -0.60 0.00 0.00 178.31 180.60 1oco h MET 26 N 1.09 -0.22 -0.02 1.51 4.05 -0.51 -1.57 114.93 119.25 1oco h MET 26 Ca 0.25 0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.68 1oco h MET 26 Cb 0.25 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.10 1oco h MET 26 CO -0.02 -0.15 0.01 0.28 0.23 0.00 0.00 176.91 177.27 1oco h VAL 27 N -0.23 1.12 0.00 -5.77 2.07 -1.15 -2.57 116.25 109.71 1oco h VAL 27 Ca 0.01 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1oco h VAL 27 Cb 0.23 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1oco h VAL 27 CO -0.04 0.10 -0.12 0.77 0.02 0.00 0.00 177.57 178.30 1oco h SER 28 N -0.11 0.00 0.53 0.57 4.64 -1.10 -1.70 113.55 116.38 1oco h SER 28 Ca 0.01 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.10 1oco h SER 28 Cb 0.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1oco h SER 28 CO -0.00 0.12 -1.00 -0.07 -0.87 0.00 0.00 176.83 175.02 1oco h LEU 29 N 0.00 0.38 0.29 5.97 3.38 -1.24 -3.06 115.31 121.03 1oco h LEU 29 Ca -0.00 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1oco h LEU 29 Cb 0.32 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1oco h LEU 29 CO 0.02 1.17 -0.28 1.23 0.09 0.00 0.00 178.44 180.67 1oco h GLY 30 N 1.63 -1.00 -0.36 0.83 0.00 -0.90 0.28 103.07 103.54 1oco h GLY 30 Ca -0.08 0.45 0.18 0.00 0.00 0.00 0.00 47.33 47.89 1oco h GLY 30 CO 0.16 -0.32 0.06 0.74 0.00 0.00 0.00 176.54 177.18 1oco h PHE 31 N -0.56 0.05 -0.45 5.60 0.04 -1.57 0.53 116.94 120.58 1oco h PHE 31 Ca -0.04 0.05 0.03 0.00 2.80 0.00 0.00 57.97 60.81 1oco h PHE 31 Cb 0.48 0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.70 1oco h PHE 31 CO -0.16 -0.22 0.25 0.00 -0.60 0.00 0.00 178.31 177.58 1oco h ALA 32 N 1.72 0.57 0.00 2.45 0.00 -1.35 -1.69 119.26 120.95 1oco h ALA 32 Ca 0.44 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.20 1oco h ALA 32 Cb 0.80 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1oco h ALA 32 CO -0.65 -0.08 -0.76 1.79 0.00 0.00 0.00 179.25 179.54 1oco h THR 33 N 0.50 1.28 -0.56 0.00 1.35 0.31 -1.92 112.91 113.87 1oco h THR 33 Ca 0.19 -2.82 -0.02 0.00 -0.55 0.00 0.00 66.41 63.21 1oco h THR 33 Cb 0.05 2.63 -0.03 0.00 -1.73 0.00 0.00 68.15 69.08 1oco h THR 33 CO -0.11 0.73 0.28 0.15 -0.25 0.00 0.00 175.52 176.32 1oco h PHE 34 N 0.00 0.80 -0.32 4.73 3.57 0.18 -0.40 116.94 125.49 1oco h PHE 34 Ca -0.01 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 1oco h PHE 34 Cb 1.58 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 1oco h PHE 34 CO 0.00 0.61 0.09 -0.92 -2.23 0.00 0.00 178.31 175.86 1oco h TYR 35 N 0.76 0.53 -0.67 0.41 3.20 -1.28 0.56 116.97 120.48 1oco h TYR 35 Ca 0.19 -0.06 0.14 0.00 3.14 0.00 0.00 58.73 62.15 1oco h TYR 35 Cb 0.10 -0.15 -0.12 0.00 1.54 0.00 0.00 36.73 38.11 1oco h TYR 35 CO -0.01 0.54 -0.00 -0.22 -1.64 0.00 0.00 178.16 176.83 1oco h LYS 36 N 0.36 0.11 0.00 1.82 3.11 -0.63 0.31 116.57 121.65 1oco h LYS 36 Ca 0.10 -0.01 -0.21 0.00 -2.81 0.00 0.00 60.65 57.73 1oco h LYS 36 Cb 0.26 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.44 1oco h LYS 36 CO -0.00 0.07 -1.29 1.19 -2.81 0.00 0.00 179.45 176.61 1oco n PHE 37 N -5.31 0.79 0.20 1.91 3.72 -0.23 -0.93 117.46 117.61 1oco n PHE 37 Ca 0.11 0.34 0.18 0.00 -0.05 0.00 0.00 57.45 58.03 1oco n PHE 37 Cb 0.40 -0.98 0.82 0.00 -0.94 0.00 0.00 39.48 38.77 1oco n PHE 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1oco h ALA 38 N -0.71 1.77 0.00 4.37 0.00 0.11 -3.26 119.26 121.54 1oco h ALA 38 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1oco h ALA 38 Cb 1.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1oco h ALA 38 CO -0.19 -0.42 -0.57 0.28 0.00 0.00 0.00 179.25 178.34 1oco n VAL 39 N -3.52 0.02 0.20 0.00 0.31 0.99 -4.72 118.33 111.61 1oco n VAL 39 Ca 0.03 0.01 -0.08 0.00 -0.01 0.00 0.00 64.34 64.28 1oco n VAL 39 Cb 0.43 -1.09 -0.04 0.00 -0.91 0.00 0.00 33.84 32.24 1oco n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1oco h ALA 40 N 0.00 -0.94 -0.61 3.52 0.00 -0.91 -2.59 119.26 117.73 1oco h ALA 40 Ca 0.00 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 54.92 1oco h ALA 40 Cb 0.57 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 18.46 1oco h ALA 40 CO 0.00 -0.90 -0.06 0.93 0.00 0.00 0.00 179.25 179.23 1oco h GLU 41 N -0.63 0.07 -0.55 0.00 3.07 -1.18 0.37 114.58 115.72 1oco h GLU 41 Ca -0.05 -0.00 0.11 0.00 -0.50 0.00 0.00 59.36 58.91 1oco h GLU 41 Cb 0.40 -0.02 -0.09 0.00 -0.84 0.00 0.00 28.75 28.21 1oco h GLU 41 CO 0.09 0.04 0.00 -0.22 -1.40 0.00 0.00 179.01 177.53 1oco h LYS 42 N 0.07 0.12 0.00 2.33 3.64 -1.61 0.16 116.57 121.27 1oco h LYS 42 Ca 0.31 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.60 1oco h LYS 42 Cb 0.50 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1oco h LYS 42 CO -0.57 0.08 -0.40 -0.09 -2.27 0.00 0.00 179.45 176.20 1oco h ARG 43 N 0.12 0.00 -0.45 1.90 2.43 -0.70 0.68 114.38 118.36 1oco h ARG 43 Ca 0.28 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.38 1oco h ARG 43 Cb 0.44 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1oco h ARG 43 CO -0.46 0.40 -0.03 -0.22 -1.51 0.00 0.00 179.97 178.15 1oco h LYS 44 N 0.00 0.75 0.19 0.20 1.63 0.12 -2.95 116.57 116.51 1oco h LYS 44 Ca -0.00 -0.21 -0.26 0.00 -0.85 0.00 0.00 60.65 59.33 1oco h LYS 44 Cb 0.83 -0.08 0.03 0.00 -0.60 0.00 0.00 32.23 32.40 1oco h LYS 44 CO 0.05 0.78 -1.17 -0.22 -3.45 0.00 0.00 179.45 175.44 1oco h LYS 45 N 0.70 0.41 -0.33 1.90 3.64 -0.71 -3.20 116.57 118.98 1oco h LYS 45 Ca 0.13 -0.70 0.07 0.00 -1.27 0.00 0.00 60.65 58.89 1oco h LYS 45 Cb 0.47 0.26 -0.08 0.00 -0.41 0.00 0.00 32.23 32.46 1oco h LYS 45 CO 0.02 1.33 -0.31 0.00 -2.27 0.00 0.00 179.45 178.23 1oco h ALA 46 N 0.10 -0.19 -0.64 5.00 0.00 -0.83 0.24 119.26 122.94 1oco h ALA 46 Ca -0.21 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1oco h ALA 46 Cb 1.90 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 20.31 1oco h ALA 46 CO 0.20 -0.72 0.16 1.88 0.00 0.00 0.00 179.25 180.77 1oco h TYR 47 N -0.27 1.04 0.36 0.00 -1.99 -1.67 -1.07 116.97 113.36 1oco h TYR 47 Ca 0.15 -0.11 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 1oco h TYR 47 Cb 0.52 -0.30 0.00 0.00 2.00 0.00 0.00 36.73 38.96 1oco h TYR 47 CO -0.49 0.85 -0.17 0.00 -0.00 0.00 0.00 178.16 178.35 1oco h ALA 48 N 1.22 -0.48 -0.31 3.88 0.00 -1.30 -2.27 119.26 119.99 1oco h ALA 48 Ca 0.20 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1oco h ALA 48 Cb 0.33 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1oco h ALA 48 CO -0.00 -0.76 -0.02 -0.44 0.00 0.00 0.00 179.25 178.03 1oco h ASP 49 N -0.51 -0.16 0.16 0.00 3.32 -0.49 -1.37 116.42 117.38 1oco h ASP 49 Ca -0.05 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1oco h ASP 49 Cb 0.39 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1oco h ASP 49 CO 0.08 -0.04 -0.20 0.15 -1.72 0.00 0.00 179.24 177.51 1oco h PHE 50 N 0.07 -0.55 0.00 4.55 3.04 -0.97 -1.44 116.94 121.64 1oco h PHE 50 Ca 0.15 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.11 1oco h PHE 50 Cb 0.21 0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.94 1oco h PHE 50 CO -0.24 -0.25 0.00 0.66 -2.02 0.00 0.00 178.31 176.46 1oco n TYR 51 N -3.52 0.00 0.12 0.41 4.01 -0.87 -3.66 117.16 113.64 1oco n TYR 51 Ca -0.04 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.56 1oco n TYR 51 Cb 0.17 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.12 1oco n TYR 51 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1oco h ARG 52 N 0.00 -0.24 -1.15 -0.72 2.43 -0.10 -3.22 114.38 111.38 1oco h ARG 52 Ca 0.00 0.02 -0.53 0.00 -0.81 0.00 0.00 59.98 58.66 1oco h ARG 52 Cb 0.00 0.05 -0.42 0.00 -0.42 0.00 0.00 29.97 29.18 1oco h ARG 52 CO 0.00 -0.08 -0.84 0.09 -1.51 0.00 0.00 179.97 177.63 1oco n ASN 53 N -5.15 4.18 -4.76 -3.80 4.13 -1.24 -5.06 115.26 103.55 1oco n ASN 53 Ca -0.09 -3.49 -0.40 0.00 1.68 0.00 0.00 54.58 52.28 1oco n ASN 53 Cb 0.16 -0.43 -0.06 0.00 -1.54 0.00 0.00 39.78 37.91 1oco n ASN 53 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1oco s TYR 54 N -3.53 3.83 -0.31 3.10 5.04 -1.22 -5.03 117.35 119.23 1oco s TYR 54 Ca 0.45 1.56 0.02 0.00 -2.44 0.00 0.00 57.07 56.66 1oco s TYR 54 Cb 0.40 -2.79 0.09 0.00 0.35 0.00 0.00 41.96 40.02 1oco s TYR 54 CO -0.08 0.41 0.05 0.34 -1.34 0.00 0.00 175.55 174.92 1oco s ASP 55 N -0.65 4.39 0.43 4.32 -1.08 -1.26 -4.99 116.67 117.83 1oco s ASP 55 Ca 0.37 -1.83 0.12 0.00 -0.52 0.00 0.00 52.55 50.69 1oco s ASP 55 Cb -0.22 -1.30 0.96 0.00 -1.46 0.00 0.00 42.92 40.90 1oco s ASP 55 CO 0.25 -0.37 2.00 0.77 0.52 0.00 0.00 175.17 178.34 1oco h SER 56 N 7.83 0.14 -0.30 -0.34 4.64 -1.98 -1.40 113.55 122.13 1oco h SER 56 Ca -0.09 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.06 1oco h SER 56 Cb 1.02 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1oco h SER 56 CO 0.49 0.24 -0.38 -0.03 -0.87 0.00 0.00 176.83 176.27 1oco h MET 57 N 0.15 0.80 -0.01 4.77 -1.53 -1.99 0.36 114.93 117.50 1oco h MET 57 Ca 0.04 -0.45 -0.00 0.00 -3.44 0.00 0.00 59.70 55.84 1oco h MET 57 Cb 0.23 0.03 -0.00 0.00 -0.55 0.00 0.00 31.60 31.31 1oco h MET 57 CO 0.01 1.08 0.00 -0.22 0.14 0.00 0.00 176.91 177.93 1oco h LYS 58 N 0.57 0.01 -0.65 0.39 3.64 -1.85 0.20 116.57 118.88 1oco h LYS 58 Ca 0.04 -0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.54 1oco h LYS 58 Cb 0.98 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.71 1oco h LYS 58 CO 0.09 0.06 0.19 0.22 -2.27 0.00 0.00 179.45 177.74 1oco h ASP 59 N -0.04 0.10 0.30 4.20 3.58 -1.23 -1.43 116.42 121.91 1oco h ASP 59 Ca 0.00 0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 1oco h ASP 59 Cb 0.05 0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1oco h ASP 59 CO -0.00 0.05 -0.14 0.15 -2.88 0.00 0.00 179.24 176.41 1oco h PHE 60 N 0.33 -0.37 -0.44 0.28 3.57 -0.25 -2.52 116.94 117.53 1oco h PHE 60 Ca 0.35 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.92 1oco h PHE 60 Cb 0.51 0.12 -0.08 0.00 2.79 0.00 0.00 35.95 39.30 1oco h PHE 60 CO -0.22 -0.20 -0.07 0.93 -2.23 0.00 0.00 178.31 176.53 1oco h GLU 61 N -0.45 0.04 -0.49 1.11 4.39 -0.50 0.38 114.58 119.06 1oco h GLU 61 Ca -0.04 -0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.74 1oco h GLU 61 Cb 0.34 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.91 1oco h GLU 61 CO 0.07 0.03 0.10 0.93 -1.16 0.00 0.00 179.01 178.98 1oco h GLU 62 N 0.04 0.23 -0.39 2.33 5.08 -1.26 0.33 114.58 120.94 1oco h GLU 62 Ca 0.22 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1oco h GLU 62 Cb 0.33 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1oco h GLU 62 CO -0.42 0.15 0.20 0.52 -1.00 0.00 0.00 179.01 178.46 1oco h MET 63 N 0.24 0.56 0.06 2.33 2.86 -0.77 -0.51 114.93 119.70 1oco h MET 63 Ca 0.24 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.82 1oco h MET 63 Cb 0.32 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 1oco h MET 63 CO -0.32 0.48 -0.16 -0.09 1.06 0.00 0.00 176.91 177.88 1oco h ARG 64 N 0.50 -0.29 0.00 1.72 2.43 0.54 -1.44 114.38 117.84 1oco h ARG 64 Ca 0.14 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1oco h ARG 64 Cb 0.10 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1oco h ARG 64 CO -0.02 -0.19 -0.10 0.87 -1.51 0.00 0.00 179.97 179.02 1oco h LYS 65 N -0.30 0.00 0.00 0.20 1.57 -0.23 -1.62 116.57 116.19 1oco h LYS 65 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1oco h LYS 65 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1oco h LYS 65 CO -0.11 0.10 0.00 0.00 -0.57 0.00 0.00 179.45 178.86 1oco n ALA 66 N -2.51 1.81 -0.89 3.86 0.00 -0.21 -4.91 120.51 117.66 1oco n ALA 66 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1oco n ALA 66 Cb 0.17 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1oco n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oco n GLY 67 N 0.32 0.52 0.25 0.00 0.00 -0.61 -4.99 105.19 100.69 1oco n GLY 67 Ca 0.04 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 1oco n GLY 67 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1oco h ILE 68 N 0.00 1.28 -4.20 -0.61 3.07 -1.76 -3.46 117.51 111.83 1oco h ILE 68 Ca 0.00 -1.60 -0.51 0.00 1.55 0.00 0.00 64.86 64.30 1oco h ILE 68 Cb 0.00 1.47 0.10 0.00 -0.27 0.00 0.00 36.82 38.12 1oco h ILE 68 CO 0.00 0.53 0.37 -0.36 -1.05 0.00 0.00 178.15 177.64 1oco s PHE 69 N -4.30 2.61 -0.44 0.16 0.08 -1.26 -5.00 117.98 109.82 1oco s PHE 69 Ca -0.10 1.55 0.04 0.00 0.12 0.00 0.00 56.93 58.54 1oco s PHE 69 Cb 0.11 -3.17 0.05 0.00 -0.57 0.00 0.00 43.02 39.44 1oco s PHE 69 CO 0.87 -1.71 0.76 0.00 -0.10 0.00 0.00 175.22 175.04 1oco n GLN 70 N -2.45 0.54 -0.01 0.44 10.64 -1.26 -4.54 117.38 120.73 1oco n GLN 70 Ca 0.10 -1.01 0.01 0.00 -1.83 0.00 0.00 57.00 54.27 1oco n GLN 70 Cb 0.52 -1.08 0.02 0.00 -0.86 0.00 0.00 30.24 28.84 1oco n GLN 70 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1oco n SER 71 N 0.11 2.05 -3.03 2.61 3.41 -1.26 -4.89 113.62 112.63 1oco n SER 71 Ca 0.03 -2.13 0.02 0.00 -0.26 0.00 0.00 58.87 56.53 1oco n SER 71 Cb 0.16 -0.05 -0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1oco n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oco s ALA 72 N -1.22 -3.34 -2.27 7.33 0.00 -1.26 -5.26 121.76 115.74 1oco s ALA 72 Ca 0.04 0.81 0.30 0.00 0.00 0.00 0.00 51.96 53.11 1oco s ALA 72 Cb 0.03 -2.84 1.45 0.00 0.00 0.00 0.00 23.12 21.77 1oco s ALA 72 CO 0.01 -2.28 1.97 1.63 0.00 0.00 0.00 175.76 177.08