#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksd s MET 16 N 0.00 2.07 -0.67 0.03 1.00 -1.26 -5.06 119.30 115.42 2ksd s MET 16 Ca 0.00 -1.47 -0.26 0.00 0.00 0.00 0.00 55.69 53.96 2ksd s MET 16 Cb 0.00 -2.06 -0.03 0.00 0.00 0.00 0.00 34.83 32.74 2ksd s MET 16 CO 0.00 0.37 1.90 0.15 0.00 0.00 0.00 175.02 177.45 2ksd s LYS 17 N -3.42 2.58 -1.41 2.03 1.02 -1.26 -4.89 119.74 114.40 2ksd s LYS 17 Ca 0.29 0.45 -0.11 0.00 0.02 0.00 0.00 55.97 56.61 2ksd s LYS 17 Cb -0.07 -4.54 0.08 0.00 -0.52 0.00 0.00 37.83 32.78 2ksd s LYS 17 CO 0.17 -2.91 2.19 -0.11 -0.92 0.00 0.00 175.35 173.77 2ksd n LEU 18 N 13.19 7.05 -3.36 3.17 7.94 -1.26 -4.87 117.00 138.86 2ksd n LEU 18 Ca 0.25 -4.38 -0.30 0.00 -1.11 0.00 0.00 56.01 50.47 2ksd n LEU 18 Cb 0.51 -1.57 -0.05 0.00 0.53 0.00 0.00 43.42 42.85 2ksd n LEU 18 CO 0.68 1.35 1.91 0.61 -1.11 0.00 0.00 177.39 180.83 2ksd n GLY 19 N 3.46 2.26 0.22 -3.96 0.00 -1.26 -2.78 105.19 103.13 2ksd n GLY 19 Ca 0.51 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2ksd n GLY 19 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ksd n LEU 20 N 6.30 0.00 -4.71 0.99 -0.00 -1.26 -4.92 117.00 113.40 2ksd n LEU 20 Ca 0.39 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.99 2ksd n LEU 20 Cb 0.25 0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 2ksd n LEU 20 CO 0.87 -0.06 0.93 1.33 -0.00 0.00 0.00 177.39 180.46 2ksd n VAL 21 N -1.61 2.25 -0.87 1.47 0.24 -1.12 -4.82 118.33 113.87 2ksd n VAL 21 Ca 0.00 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.34 61.52 2ksd n VAL 21 Cb 0.00 -1.63 -0.03 0.00 -1.47 0.00 0.00 33.84 30.72 2ksd n VAL 21 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2ksd n ARG 22 N 0.31 2.05 -2.60 7.34 1.74 -1.26 -4.59 116.66 119.64 2ksd n ARG 22 Ca 0.05 -1.60 -0.31 0.00 -0.77 0.00 0.00 57.85 55.22 2ksd n ARG 22 Cb 0.38 -2.58 -0.01 0.00 -1.02 0.00 0.00 32.46 29.23 2ksd n ARG 22 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2ksd n PHE 23 N 4.91 3.51 -1.55 -1.55 3.01 -1.26 -5.07 117.46 119.46 2ksd n PHE 23 Ca 0.47 -3.26 -0.51 0.00 1.01 0.00 0.00 57.45 55.16 2ksd n PHE 23 Cb 0.20 -0.55 -0.05 0.00 -0.01 0.00 0.00 39.48 39.06 2ksd n PHE 23 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2ksd n SER 24 N -0.34 0.84 0.00 4.37 7.64 -1.26 0.04 113.62 124.91 2ksd n SER 24 Ca 0.39 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.41 2ksd n SER 24 Cb 0.44 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 2ksd n SER 24 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2ksd n MET 25 N 1.76 0.00 -0.22 1.43 0.00 -1.26 -4.44 117.12 114.39 2ksd n MET 25 Ca 0.17 0.00 0.01 0.00 -0.00 0.00 0.00 57.70 57.88 2ksd n MET 25 Cb 0.20 0.00 0.08 0.00 0.00 0.00 0.00 33.22 33.50 2ksd n MET 25 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2ksd h LEU 26 N 0.00 -0.54 -0.91 -0.89 3.38 -1.92 0.22 115.31 114.66 2ksd h LEU 26 Ca 0.00 0.19 0.17 0.00 0.09 0.00 0.00 57.88 58.33 2ksd h LEU 26 Cb 0.00 0.38 -0.10 0.00 0.09 0.00 0.00 40.66 41.03 2ksd h LEU 26 CO 0.00 -0.20 0.49 0.17 0.09 0.00 0.00 178.44 178.99 2ksd h LEU 27 N 0.02 0.60 -1.77 1.67 -0.00 -0.61 0.92 115.31 116.15 2ksd h LEU 27 Ca 0.33 0.10 0.11 0.00 -0.00 0.00 0.00 57.88 58.41 2ksd h LEU 27 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.15 2ksd h LEU 27 CO -0.66 0.22 0.36 0.00 -0.00 0.00 0.00 178.44 178.37 2ksd h ALA 28 N 1.60 2.15 -0.94 0.17 0.00 -1.19 -0.75 119.26 120.31 2ksd h ALA 28 Ca 0.51 -0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.65 2ksd h ALA 28 Cb 0.77 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 2ksd h ALA 28 CO -0.38 -0.28 0.63 1.25 0.00 0.00 0.00 179.25 180.47 2ksd h LEU 29 N 0.26 0.29 -0.93 0.00 7.12 -0.75 0.29 115.31 121.59 2ksd h LEU 29 Ca 0.25 0.04 0.02 0.00 0.13 0.00 0.00 57.88 58.31 2ksd h LEU 29 Cb 0.64 -0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 40.70 2ksd h LEU 29 CO -0.05 0.10 0.61 0.00 -0.13 0.00 0.00 178.44 178.97 2ksd h ALA 30 N 1.59 1.19 -0.11 1.25 0.00 -1.25 0.24 119.26 122.17 2ksd h ALA 30 Ca 0.49 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.25 2ksd h ALA 30 Cb 1.42 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2ksd h ALA 30 CO -0.15 0.55 -0.27 -0.07 0.00 0.00 0.00 179.25 179.31 2ksd h LEU 31 N 1.24 0.43 0.04 0.00 4.07 -0.61 -0.63 115.31 119.85 2ksd h LEU 31 Ca 0.35 -0.58 0.02 0.00 0.08 0.00 0.00 57.88 57.75 2ksd h LEU 31 Cb -0.11 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.47 2ksd h LEU 31 CO -0.09 0.93 -0.20 0.58 -1.08 0.00 0.00 178.44 178.58 2ksd h VAL 32 N -0.05 0.52 -0.41 1.22 2.07 -0.89 0.32 116.25 119.05 2ksd h VAL 32 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2ksd h VAL 32 Cb 0.87 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 2ksd h VAL 32 CO 0.06 0.00 0.17 0.58 0.02 0.00 0.00 177.57 178.40 2ksd h VAL 33 N -0.35 0.91 -0.53 2.57 2.07 -0.58 -1.15 116.25 119.19 2ksd h VAL 33 Ca 0.05 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.53 2ksd h VAL 33 Cb 0.41 0.54 -0.07 0.00 -1.52 0.00 0.00 31.29 30.65 2ksd h VAL 33 CO -0.16 0.06 0.16 0.25 0.02 0.00 0.00 177.57 177.90 2ksd h LEU 34 N 0.35 0.11 -0.28 2.57 5.85 -0.39 0.30 115.31 123.81 2ksd h LEU 34 Ca 0.18 0.08 0.04 0.00 0.84 0.00 0.00 57.88 59.02 2ksd h LEU 34 Cb 0.14 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2ksd h LEU 34 CO -0.17 0.09 0.07 0.00 -0.34 0.00 0.00 178.44 178.09 2ksd h ALA 35 N 1.38 0.30 -0.15 1.25 0.00 0.42 0.34 119.26 122.81 2ksd h ALA 35 Ca 0.26 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2ksd h ALA 35 Cb 0.33 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2ksd h ALA 35 CO -0.30 -0.34 0.10 0.82 0.00 0.00 0.00 179.25 179.53 2ksd h ILE 36 N 0.18 1.04 -0.17 0.00 2.04 -0.30 0.25 117.51 120.56 2ksd h ILE 36 Ca 0.13 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.93 2ksd h ILE 36 Cb 0.12 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2ksd h ILE 36 CO -0.16 0.04 -0.03 0.58 0.00 0.00 0.00 178.15 178.58 2ksd h VAL 37 N 0.20 0.85 -0.24 1.67 2.07 0.01 0.21 116.25 121.02 2ksd h VAL 37 Ca 0.05 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.58 2ksd h VAL 37 Cb -0.01 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2ksd h VAL 37 CO -0.01 0.00 0.13 0.58 0.02 0.00 0.00 177.57 178.29 2ksd h VAL 38 N 0.02 1.01 -0.47 2.57 2.07 -0.09 0.34 116.25 121.70 2ksd h VAL 38 Ca 0.08 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.57 2ksd h VAL 38 Cb 0.11 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 2ksd h VAL 38 CO -0.16 0.05 0.16 -0.61 0.02 0.00 0.00 177.57 177.04 2ksd h GLN 39 N 0.27 0.33 -0.13 1.57 4.15 -0.03 0.25 115.11 121.52 2ksd h GLN 39 Ca 0.09 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 2ksd h GLN 39 Cb 0.01 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 2ksd h GLN 39 CO -0.05 0.22 0.03 1.98 -1.93 0.00 0.00 178.83 179.08 2ksd h MET 40 N 0.34 0.20 0.13 1.69 4.05 -0.17 -0.61 114.93 120.56 2ksd h MET 40 Ca 0.22 -0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.61 2ksd h MET 40 Cb 0.23 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.97 2ksd h MET 40 CO -0.23 0.36 -0.29 0.00 0.23 0.00 0.00 176.91 176.98 2ksd h ALA 41 N 0.83 -0.51 -0.65 0.39 0.00 0.19 0.41 119.26 119.93 2ksd h ALA 41 Ca 0.04 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.99 2ksd h ALA 41 Cb 0.25 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 2ksd h ALA 41 CO 0.00 -0.84 0.28 0.28 0.00 0.00 0.00 179.25 178.97 2ksd h VAL 42 N -0.52 0.80 -0.50 0.00 2.07 -0.50 0.28 116.25 117.90 2ksd h VAL 42 Ca 0.03 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.41 2ksd h VAL 42 Cb 0.54 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 2ksd h VAL 42 CO -0.16 0.09 0.28 0.74 0.02 0.00 0.00 177.57 178.53 2ksd h THR 43 N 0.49 1.01 -0.51 2.57 2.02 -0.32 0.78 112.91 118.95 2ksd h THR 43 Ca 0.32 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 2ksd h THR 43 Cb 0.37 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 2ksd h THR 43 CO -0.29 0.10 0.24 -0.03 0.37 0.00 0.00 175.52 175.91 2ksd h MET 44 N 0.55 0.74 -0.50 6.66 4.05 0.13 -2.82 114.93 123.73 2ksd h MET 44 Ca 0.21 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.52 2ksd h MET 44 Cb 0.06 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 2ksd h MET 44 CO -0.11 0.62 0.33 0.28 0.23 0.00 0.00 176.91 178.26 2ksd h VAL 45 N 0.68 1.13 -3.49 -5.77 2.07 0.07 -3.16 116.25 107.79 2ksd h VAL 45 Ca 0.18 -0.24 -0.52 0.00 0.82 0.00 0.00 66.70 66.94 2ksd h VAL 45 Cb 0.13 0.39 0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2ksd h VAL 45 CO -0.02 0.13 0.53 -0.76 0.02 0.00 0.00 177.57 177.46 2ksd s LEU 46 N -10.15 4.46 0.00 2.57 1.02 0.22 -4.09 118.68 112.70 2ksd s LEU 46 Ca -0.13 2.16 0.00 0.00 0.02 0.00 0.00 54.13 56.18 2ksd s LEU 46 Cb 0.12 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.73 2ksd s LEU 46 CO 0.74 -0.33 0.00 1.57 0.02 0.00 0.00 176.35 178.35 2ksd n HIS 47 N 2.57 0.00 0.00 0.29 -0.00 -1.26 -4.57 115.22 112.25 2ksd n HIS 47 Ca 0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.22 2ksd n HIS 47 Cb 0.45 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 2ksd n HIS 47 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2ksd n GLY 48 N 0.00 3.09 3.73 1.57 0.00 -1.19 -5.05 105.19 107.34 2ksd n GLY 48 Ca 0.00 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 2ksd n GLY 48 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ksd s GLN 49 N 0.00 2.20 -0.38 1.61 1.11 -1.26 -4.91 119.66 118.03 2ksd s GLN 49 Ca 0.00 1.65 -0.03 0.00 0.01 0.00 0.00 55.36 56.98 2ksd s GLN 49 Cb 0.00 -1.85 0.06 0.00 -1.01 0.00 0.00 33.01 30.21 2ksd s GLN 49 CO 0.00 -1.77 2.69 1.55 0.01 0.00 0.00 175.29 177.77 2ksd n VAL 50 N -2.79 3.16 -0.33 1.09 3.14 -1.26 -4.67 118.33 116.67 2ksd n VAL 50 Ca 0.13 -2.53 0.19 0.00 -2.96 0.00 0.00 64.34 59.17 2ksd n VAL 50 Cb 0.51 -1.58 0.45 0.00 -1.06 0.00 0.00 33.84 32.16 2ksd n VAL 50 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2ksd h GLU 51 N 2.64 0.49 -4.21 1.45 3.07 -1.99 -3.30 114.58 112.74 2ksd h GLU 51 Ca 0.35 -0.03 -0.74 0.00 -0.50 0.00 0.00 59.36 58.44 2ksd h GLU 51 Cb 0.84 -0.11 -0.28 0.00 -0.84 0.00 0.00 28.75 28.36 2ksd h GLU 51 CO 0.78 0.33 -0.33 0.45 -1.40 0.00 0.00 179.01 178.84 2ksd s SER 52 N -5.31 5.87 0.23 1.42 0.15 -1.26 -4.95 113.70 109.84 2ksd s SER 52 Ca -0.10 -1.92 -0.07 0.00 0.70 0.00 0.00 55.95 54.57 2ksd s SER 52 Cb 0.25 -2.07 0.40 0.00 -1.71 0.00 0.00 66.02 62.89 2ksd s SER 52 CO 0.80 -0.73 1.71 0.40 1.20 0.00 0.00 173.24 176.61 2ksd h ILE 53 N 6.00 0.61 0.00 6.45 5.03 -1.99 -3.40 117.51 130.20 2ksd h ILE 53 Ca -0.22 -0.11 0.00 0.00 -0.12 0.00 0.00 64.86 64.41 2ksd h ILE 53 Cb 1.08 0.26 0.00 0.00 -3.03 0.00 0.00 36.82 35.13 2ksd h ILE 53 CO 0.91 0.06 0.00 -0.90 -0.68 0.00 0.00 178.15 177.54 2ksd n ASP 54 N -5.10 0.24 -3.78 1.72 5.68 -1.26 -5.10 116.55 108.95 2ksd n ASP 54 Ca 0.12 0.06 -0.14 0.00 -0.50 0.00 0.00 54.79 54.33 2ksd n ASP 54 Cb 0.39 -0.06 -0.15 0.00 -1.14 0.00 0.00 41.12 40.17 2ksd n ASP 54 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2ksd s VAL 55 N -1.27 -0.04 -0.72 2.12 1.01 -1.26 -5.09 120.40 115.14 2ksd s VAL 55 Ca 0.00 0.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.88 2ksd s VAL 55 Cb 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 36.38 36.14 2ksd s VAL 55 CO 0.00 0.07 2.38 -0.51 0.00 0.00 0.00 175.10 177.03 2ksd s ILE 56 N 0.89 3.04 -0.30 2.22 1.10 -1.26 -3.82 121.20 123.07 2ksd s ILE 56 Ca -0.07 -0.02 -0.04 0.00 -0.51 0.00 0.00 60.65 60.01 2ksd s ILE 56 Cb -0.10 -3.09 0.00 0.00 0.15 0.00 0.00 42.46 39.43 2ksd s ILE 56 CO -0.03 -0.08 0.13 -1.14 -2.11 0.00 0.00 174.94 171.71 2ksd n ARG 57 N 8.87 -2.82 -0.21 3.50 0.63 -1.26 -4.59 116.66 120.78 2ksd n ARG 57 Ca 0.44 2.36 -0.12 0.00 -0.92 0.00 0.00 57.85 59.61 2ksd n ARG 57 Cb 0.46 -4.92 -0.09 0.00 0.45 0.00 0.00 32.46 28.37 2ksd n ARG 57 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2ksd h SER 58 N 2.43 -1.86 -0.74 6.15 0.87 -2.02 0.11 113.55 118.48 2ksd h SER 58 Ca 0.00 0.26 0.16 0.00 -1.23 0.00 0.00 61.79 60.99 2ksd h SER 58 Cb 0.22 0.79 -0.11 0.00 -0.44 0.00 0.00 62.40 62.86 2ksd h SER 58 CO 0.11 -0.35 0.16 0.40 -0.53 0.00 0.00 176.83 176.61 2ksd h ILE 59 N -0.28 0.49 -0.89 2.23 2.04 -1.95 0.18 117.51 119.33 2ksd h ILE 59 Ca 0.11 -0.08 0.17 0.00 1.00 0.00 0.00 64.86 66.06 2ksd h ILE 59 Cb 0.55 0.22 -0.07 0.00 -0.74 0.00 0.00 36.82 36.78 2ksd h ILE 59 CO -0.69 0.04 0.58 0.15 0.00 0.00 0.00 178.15 178.23 2ksd h PHE 60 N 0.24 0.70 -1.04 1.37 3.57 -1.28 0.37 116.94 120.88 2ksd h PHE 60 Ca 0.42 0.02 0.27 0.00 3.53 0.00 0.00 57.97 62.20 2ksd h PHE 60 Cb 0.72 -0.22 -0.10 0.00 2.79 0.00 0.00 35.95 39.15 2ksd h PHE 60 CO -0.28 0.22 0.66 0.35 -2.23 0.00 0.00 178.31 177.04 2ksd h PHE 61 N 0.56 0.72 -1.05 0.41 3.57 -0.14 0.28 116.94 121.29 2ksd h PHE 61 Ca 0.46 0.03 0.27 0.00 3.53 0.00 0.00 57.97 62.26 2ksd h PHE 61 Cb 0.92 -0.21 -0.08 0.00 2.79 0.00 0.00 35.95 39.36 2ksd h PHE 61 CO -0.00 0.06 0.69 0.78 -2.23 0.00 0.00 178.31 177.60 2ksd h GLY 62 N 0.42 0.98 0.76 2.40 0.00 -1.00 0.33 103.07 106.96 2ksd h GLY 62 Ca 0.61 -0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.83 2ksd h GLY 62 CO -0.33 -0.11 0.52 -2.00 0.00 0.00 0.00 176.54 174.62 2ksd h LEU 63 N 0.32 0.83 -2.30 3.11 6.46 -0.60 0.42 115.31 123.54 2ksd h LEU 63 Ca 0.58 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 58.39 2ksd h LEU 63 Cb 1.61 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 41.37 2ksd h LEU 63 CO -0.24 0.54 0.20 -0.07 -0.62 0.00 0.00 178.44 178.25 2ksd h LEU 64 N 0.97 0.00 -1.80 2.25 -0.00 -0.46 -1.52 115.31 114.75 2ksd h LEU 64 Ca 0.36 0.00 0.21 0.00 -0.00 0.00 0.00 57.88 58.45 2ksd h LEU 64 Cb 0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.75 2ksd h LEU 64 CO -0.16 0.00 0.56 0.40 -0.00 0.00 0.00 178.44 179.24 2ksd h ILE 65 N 0.00 0.65 0.24 1.22 2.04 -0.90 0.42 117.51 121.18 2ksd h ILE 65 Ca 0.06 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2ksd h ILE 65 Cb 0.45 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2ksd h ILE 65 CO -0.00 0.03 -0.11 0.74 0.00 0.00 0.00 178.15 178.81 2ksd h THR 66 N 0.17 0.00 -0.77 -0.27 2.02 -1.44 0.52 112.91 113.15 2ksd h THR 66 Ca 0.40 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.55 2ksd h THR 66 Cb 1.31 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 2ksd h THR 66 CO -0.07 0.00 0.47 1.55 0.37 0.00 0.00 175.52 177.84 2ksd h PRO 67 N -0.35 1.03 -0.58 6.66 0.13 -1.68 -1.50 132.00 135.71 2ksd h PRO 67 Ca -0.03 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 2ksd h PRO 67 Cb 0.24 -0.22 -0.03 0.00 0.13 0.00 0.00 31.00 31.13 2ksd h PRO 67 CO 0.05 0.71 0.28 2.35 -0.23 0.00 0.00 178.00 181.16 2ksd h TRP 68 N 1.05 0.83 -0.03 1.56 2.91 -0.19 0.29 115.95 122.37 2ksd h TRP 68 Ca 0.28 -0.04 -0.00 0.00 1.13 0.00 0.00 58.89 60.26 2ksd h TRP 68 Cb -0.06 -0.26 -0.00 0.00 -0.51 0.00 0.00 29.16 28.33 2ksd h TRP 68 CO 0.00 0.64 0.01 0.00 -1.03 0.00 0.00 178.44 178.06 2ksd h ALA 69 N 1.11 0.04 0.28 2.65 0.00 0.57 0.48 119.26 124.39 2ksd h ALA 69 Ca 0.20 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2ksd h ALA 69 Cb 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2ksd h ALA 69 CO -0.03 -0.38 -0.20 0.28 0.00 0.00 0.00 179.25 178.92 2ksd h VAL 70 N -0.10 0.57 -0.00 0.00 2.07 -1.10 0.28 116.25 117.96 2ksd h VAL 70 Ca 0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.56 2ksd h VAL 70 Cb 0.15 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2ksd h VAL 70 CO -0.00 0.00 -0.17 0.22 0.02 0.00 0.00 177.57 177.64 2ksd h TYR 71 N -0.48 -0.44 0.02 1.57 5.03 -0.36 -0.50 116.97 121.81 2ksd h TYR 71 Ca -0.02 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.33 2ksd h TYR 71 Cb 0.42 0.20 -0.04 0.00 1.55 0.00 0.00 36.73 38.85 2ksd h TYR 71 CO -0.12 -0.24 -0.23 0.35 -1.32 0.00 0.00 178.16 176.60 2ksd h PHE 72 N -0.27 -0.61 -0.38 -3.82 3.57 0.14 0.32 116.94 115.88 2ksd h PHE 72 Ca 0.06 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.65 2ksd h PHE 72 Cb 0.35 0.27 -0.07 0.00 2.79 0.00 0.00 35.95 39.28 2ksd h PHE 72 CO -0.22 -0.32 -0.08 1.25 -2.23 0.00 0.00 178.31 176.71 2ksd h LEU 73 N -0.37 -0.32 0.71 0.59 6.46 -0.21 0.39 115.31 122.57 2ksd h LEU 73 Ca 0.06 0.11 -0.04 0.00 -0.12 0.00 0.00 57.88 57.89 2ksd h LEU 73 Cb 0.44 0.22 0.01 0.00 -0.73 0.00 0.00 40.66 40.60 2ksd h LEU 73 CO -0.19 -0.11 -0.34 -1.28 -0.62 0.00 0.00 178.44 175.89 2ksd h SER 74 N 0.02 -0.81 -0.47 1.25 0.87 -0.63 -1.13 113.55 112.64 2ksd h SER 74 Ca 0.19 0.03 0.09 0.00 -1.23 0.00 0.00 61.79 60.87 2ksd h SER 74 Cb 0.28 0.21 -0.10 0.00 -0.44 0.00 0.00 62.40 62.35 2ksd h SER 74 CO -0.38 -0.58 -0.28 0.58 -0.53 0.00 0.00 176.83 175.65 2ksd h VAL 75 N -0.96 0.27 -0.46 2.23 2.07 -0.19 0.28 116.25 119.49 2ksd h VAL 75 Ca -0.10 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.51 2ksd h VAL 75 Cb 0.74 0.27 -0.08 0.00 -1.52 0.00 0.00 31.29 30.70 2ksd h VAL 75 CO 0.16 0.00 -0.06 0.58 0.02 0.00 0.00 177.57 178.27 2ksd h VAL 76 N -0.17 0.59 0.10 2.57 2.07 -0.21 1.10 116.25 122.30 2ksd h VAL 76 Ca 0.21 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 2ksd h VAL 76 Cb 0.51 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2ksd h VAL 76 CO -0.57 0.01 -0.05 0.58 0.02 0.00 0.00 177.57 177.56 2ksd h VAL 77 N 0.05 0.92 -0.86 2.57 2.07 0.16 -1.67 116.25 119.49 2ksd h VAL 77 Ca 0.23 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 2ksd h VAL 77 Cb 0.34 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 2ksd h VAL 77 CO -0.43 0.01 0.51 -0.33 0.02 0.00 0.00 177.57 177.36 2ksd h GLU 78 N -0.16 1.17 0.00 1.57 5.08 0.29 -1.88 114.58 120.65 2ksd h GLU 78 Ca -0.01 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2ksd h GLU 78 Cb 0.13 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2ksd h GLU 78 CO 0.02 0.83 0.00 0.37 -1.00 0.00 0.00 179.01 179.23 2ksd h GLN 79 N 1.19 0.00 -4.41 2.33 4.15 0.15 0.45 115.11 118.97 2ksd h GLN 79 Ca 0.31 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.73 2ksd h GLN 79 Cb -0.04 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.59 2ksd h GLN 79 CO -0.06 0.00 -1.00 -0.11 -1.93 0.00 0.00 178.83 175.73 2ksd n LEU 80 N -3.00 -5.27 0.02 -2.39 0.00 -0.65 -3.12 117.00 102.59 2ksd n LEU 80 Ca 0.00 1.45 -0.02 0.00 0.00 0.00 0.00 56.01 57.44 2ksd n LEU 80 Cb 0.26 -2.61 -0.01 0.00 0.00 0.00 0.00 43.42 41.06 2ksd n LEU 80 CO 0.25 -2.67 -0.13 -0.62 0.00 0.00 0.00 177.39 174.23 2ksd n GLU 81 N 0.99 0.10 0.00 1.96 -0.58 -1.25 -4.92 120.64 116.94 2ksd n GLU 81 Ca -0.21 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 2ksd n GLU 81 Cb 0.33 -0.65 0.00 0.00 -0.57 0.00 0.00 31.44 30.55 2ksd n GLU 81 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2ksd n GLU 82 N -3.63 0.00 -1.90 3.49 0.00 -1.26 -4.99 120.64 112.35 2ksd n GLU 82 Ca -0.03 0.03 -0.30 0.00 0.00 0.00 0.00 57.16 56.87 2ksd n GLU 82 Cb 0.10 -0.50 0.19 0.00 0.00 0.00 0.00 31.44 31.22 2ksd n GLU 82 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2ksd s SER 83 N -1.15 3.00 -1.08 4.31 0.15 -1.26 -4.99 113.70 112.69 2ksd s SER 83 Ca 0.00 0.26 -0.03 0.00 0.70 0.00 0.00 55.95 56.89 2ksd s SER 83 Cb 0.00 -0.30 0.29 0.00 -1.71 0.00 0.00 66.02 64.30 2ksd s SER 83 CO 0.00 -2.81 1.79 -1.14 1.20 0.00 0.00 173.24 172.28 2ksd n ARG 84 N -3.82 5.04 -0.11 5.44 0.63 -1.26 -4.74 116.66 117.84 2ksd n ARG 84 Ca 0.15 -4.49 -0.11 0.00 -0.92 0.00 0.00 57.85 52.49 2ksd n ARG 84 Cb 0.59 -2.51 -0.03 0.00 0.45 0.00 0.00 32.46 30.96 2ksd n ARG 84 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2ksd h GLN 85 N 4.64 0.62 -4.19 -0.14 5.75 -1.94 -3.49 115.11 116.36 2ksd h GLN 85 Ca 0.45 -0.22 0.00 0.00 -0.15 0.00 0.00 58.65 58.74 2ksd h GLN 85 Cb 0.41 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.92 2ksd h GLN 85 CO 1.27 0.77 -0.38 0.54 -2.65 0.00 0.00 178.83 178.37 2ksd n ARG 86 N -4.48 -1.54 0.00 1.69 5.12 -1.26 -5.08 116.66 111.11 2ksd n ARG 86 Ca -0.02 1.53 0.00 0.00 -1.93 0.00 0.00 57.85 57.43 2ksd n ARG 86 Cb 0.30 -3.58 0.00 0.00 -1.16 0.00 0.00 32.46 28.02 2ksd n ARG 86 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2ksd n LEU 87 N -0.06 0.00 0.00 0.55 4.77 -1.22 -5.09 117.00 115.94 2ksd n LEU 87 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2ksd n LEU 87 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2ksd n LEU 87 CO 0.25 -0.14 0.00 -1.54 -1.33 0.00 0.00 177.39 174.63 2ksd n SER 88 N -1.43 0.00 0.00 -1.43 3.41 0.16 -5.02 113.62 109.31 2ksd n SER 88 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2ksd n SER 88 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2ksd n SER 88 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74