#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksd n MET 16 N 0.00 0.00 -3.01 0.03 0.00 -1.26 -5.08 117.12 107.80 2ksd n MET 16 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 57.70 57.56 2ksd n MET 16 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.23 2ksd n MET 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2ksd n LYS 17 N -0.21 -2.21 0.11 0.03 5.02 -1.26 -4.92 118.16 114.70 2ksd n LYS 17 Ca 0.00 1.93 0.00 0.00 -2.02 0.00 0.00 58.31 58.22 2ksd n LYS 17 Cb 0.00 -4.95 0.00 0.00 -0.02 0.00 0.00 35.03 30.06 2ksd n LYS 17 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2ksd n LEU 18 N -0.42 -1.93 0.00 -0.35 -0.00 -1.25 -5.00 117.00 108.04 2ksd n LEU 18 Ca 0.06 0.69 0.00 0.00 -0.00 0.00 0.00 56.01 56.77 2ksd n LEU 18 Cb 0.51 2.06 0.00 0.00 -0.00 0.00 0.00 43.42 45.99 2ksd n LEU 18 CO 0.50 0.15 0.00 0.61 -0.00 0.00 0.00 177.39 178.65 2ksd n GLY 19 N -1.22 0.98 0.74 -3.96 0.00 -1.26 -4.44 105.19 96.04 2ksd n GLY 19 Ca 0.00 -1.92 0.04 0.00 0.00 0.00 0.00 46.02 44.14 2ksd n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ksd n LEU 20 N 0.00 1.00 -3.81 0.99 4.77 -1.26 -4.97 117.00 113.72 2ksd n LEU 20 Ca 0.00 -1.99 -0.29 0.00 -0.03 0.00 0.00 56.01 53.70 2ksd n LEU 20 Cb 0.00 -0.13 -0.13 0.00 -2.33 0.00 0.00 43.42 40.83 2ksd n LEU 20 CO 0.00 0.54 -0.19 -0.69 -1.33 0.00 0.00 177.39 175.71 2ksd s VAL 21 N -0.85 2.01 0.00 4.08 1.01 -1.26 -4.84 120.40 120.54 2ksd s VAL 21 Ca 0.20 -3.11 0.00 0.00 0.00 0.00 0.00 61.98 59.07 2ksd s VAL 21 Cb 0.21 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 34.20 2ksd s VAL 21 CO -0.05 -0.90 0.00 0.54 0.00 0.00 0.00 175.10 174.69 2ksd n ARG 22 N 3.10 0.00 -0.09 2.72 5.12 -1.26 -2.75 116.66 123.50 2ksd n ARG 22 Ca 0.10 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.90 2ksd n ARG 22 Cb 0.34 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.56 2ksd n ARG 22 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2ksd n PHE 23 N 0.93 0.00 0.55 -1.55 3.72 -1.26 -4.54 117.46 115.31 2ksd n PHE 23 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 2ksd n PHE 23 Cb 0.00 -0.69 0.45 0.00 -0.94 0.00 0.00 39.48 38.30 2ksd n PHE 23 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2ksd n SER 24 N -2.97 0.50 -3.65 4.37 3.41 -1.26 -4.93 113.62 109.09 2ksd n SER 24 Ca -0.31 0.59 -0.21 0.00 -0.26 0.00 0.00 58.87 58.68 2ksd n SER 24 Cb 0.85 -0.71 0.04 0.00 -0.26 0.00 0.00 64.21 64.13 2ksd n SER 24 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2ksd n MET 25 N -2.02 -4.60 -0.34 4.33 2.81 -1.11 -4.83 117.12 111.35 2ksd n MET 25 Ca 0.04 0.64 0.33 0.00 -1.81 0.00 0.00 57.70 56.90 2ksd n MET 25 Cb 0.29 -5.19 0.60 0.00 -0.71 0.00 0.00 33.22 28.21 2ksd n MET 25 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2ksd n LEU 26 N -4.19 0.32 -0.34 4.03 7.94 -1.26 -0.36 117.00 123.13 2ksd n LEU 26 Ca -0.27 1.59 0.28 0.00 -1.11 0.00 0.00 56.01 56.50 2ksd n LEU 26 Cb 0.67 -0.78 0.54 0.00 0.53 0.00 0.00 43.42 44.38 2ksd n LEU 26 CO 0.67 -1.77 1.11 -0.07 -1.11 0.00 0.00 177.39 176.22 2ksd h LEU 27 N 0.00 0.41 -1.55 -1.96 4.07 -1.89 0.34 115.31 114.73 2ksd h LEU 27 Ca 0.85 0.21 0.32 0.00 0.08 0.00 0.00 57.88 59.33 2ksd h LEU 27 Cb 2.33 0.18 -0.09 0.00 1.08 0.00 0.00 40.66 44.17 2ksd h LEU 27 CO -0.70 -0.25 0.76 0.00 -1.08 0.00 0.00 178.44 177.17 2ksd h ALA 28 N 1.87 2.58 -0.99 1.53 0.00 -1.03 0.22 119.26 123.43 2ksd h ALA 28 Ca 0.78 0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.94 2ksd h ALA 28 Cb 1.99 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 19.75 2ksd h ALA 28 CO -0.64 -1.01 0.62 1.25 0.00 0.00 0.00 179.25 179.47 2ksd h LEU 29 N 0.23 0.66 -0.98 0.00 5.85 -0.52 0.39 115.31 120.94 2ksd h LEU 29 Ca 0.63 0.09 0.04 0.00 0.84 0.00 0.00 57.88 59.48 2ksd h LEU 29 Cb 1.92 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.87 2ksd h LEU 29 CO -0.24 0.22 0.64 0.00 -0.34 0.00 0.00 178.44 178.72 2ksd h ALA 30 N 1.64 1.30 0.18 1.25 0.00 -0.73 0.23 119.26 123.14 2ksd h ALA 30 Ca 0.57 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 2ksd h ALA 30 Cb 1.06 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2ksd h ALA 30 CO -0.34 0.52 -0.09 -0.07 0.00 0.00 0.00 179.25 179.28 2ksd h LEU 31 N 1.23 -0.21 -0.18 0.00 4.07 -0.35 0.30 115.31 120.17 2ksd h LEU 31 Ca 0.39 -0.18 0.05 0.00 0.08 0.00 0.00 57.88 58.22 2ksd h LEU 31 Cb 0.01 0.05 -0.05 0.00 1.08 0.00 0.00 40.66 41.75 2ksd h LEU 31 CO -0.13 0.07 -0.16 0.58 -1.08 0.00 0.00 178.44 177.72 2ksd h VAL 32 N -0.49 0.56 -0.09 1.22 2.07 -0.80 0.23 116.25 118.95 2ksd h VAL 32 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2ksd h VAL 32 Cb 0.37 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2ksd h VAL 32 CO 0.04 0.00 0.05 0.58 0.02 0.00 0.00 177.57 178.26 2ksd h VAL 33 N -0.17 1.00 -0.50 2.57 2.07 -0.50 -1.04 116.25 119.67 2ksd h VAL 33 Ca 0.11 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.69 2ksd h VAL 33 Cb 0.34 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 2ksd h VAL 33 CO -0.28 0.02 0.06 -0.07 0.02 0.00 0.00 177.57 177.32 2ksd h LEU 34 N 0.10 -0.08 -0.21 2.57 4.07 0.19 0.35 115.31 122.30 2ksd h LEU 34 Ca 0.04 0.10 0.04 0.00 0.08 0.00 0.00 57.88 58.13 2ksd h LEU 34 Cb 0.00 0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.87 2ksd h LEU 34 CO -0.02 -0.01 0.00 0.00 -1.08 0.00 0.00 178.44 177.32 2ksd h ALA 35 N 1.41 0.19 -0.35 1.53 0.00 -0.19 0.26 119.26 122.11 2ksd h ALA 35 Ca 0.25 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2ksd h ALA 35 Cb 0.36 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2ksd h ALA 35 CO -0.36 -0.43 0.23 0.82 0.00 0.00 0.00 179.25 179.51 2ksd h ILE 36 N 0.07 1.09 0.11 0.00 2.04 -0.10 0.13 117.51 120.84 2ksd h ILE 36 Ca 0.10 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2ksd h ILE 36 Cb 0.13 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2ksd h ILE 36 CO -0.17 0.09 -0.05 0.58 0.00 0.00 0.00 178.15 178.60 2ksd h VAL 37 N 0.48 0.92 -0.21 1.67 2.07 0.07 0.31 116.25 121.56 2ksd h VAL 37 Ca 0.13 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.58 2ksd h VAL 37 Cb -0.05 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2ksd h VAL 37 CO -0.03 0.02 0.06 0.58 0.02 0.00 0.00 177.57 178.23 2ksd h VAL 38 N -0.19 0.94 0.53 2.57 2.07 -0.34 0.25 116.25 122.08 2ksd h VAL 38 Ca -0.01 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 2ksd h VAL 38 Cb 0.15 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2ksd h VAL 38 CO 0.02 0.03 -0.26 -0.61 0.02 0.00 0.00 177.57 176.77 2ksd h GLN 39 N 0.16 -0.70 -0.47 1.57 4.15 -0.59 -0.23 115.11 119.00 2ksd h GLN 39 Ca 0.09 0.05 0.09 0.00 0.77 0.00 0.00 58.65 59.65 2ksd h GLN 39 Cb 0.07 0.16 -0.08 0.00 0.21 0.00 0.00 27.48 27.84 2ksd h GLN 39 CO -0.10 -0.46 -0.01 1.98 -1.93 0.00 0.00 178.83 178.31 2ksd h MET 40 N -0.72 0.10 -0.24 1.69 4.05 -0.23 0.36 114.93 119.95 2ksd h MET 40 Ca -0.07 -0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.40 2ksd h MET 40 Cb 0.56 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.28 2ksd h MET 40 CO 0.12 0.07 -0.12 0.00 0.23 0.00 0.00 176.91 177.20 2ksd h ALA 41 N 1.42 0.07 -0.55 0.39 0.00 -0.29 0.31 119.26 120.60 2ksd h ALA 41 Ca 0.23 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.26 2ksd h ALA 41 Cb 0.35 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2ksd h ALA 41 CO -0.40 -0.54 0.33 0.28 0.00 0.00 0.00 179.25 178.93 2ksd h VAL 42 N -0.10 1.05 -0.46 0.00 2.07 0.04 -0.05 116.25 118.80 2ksd h VAL 42 Ca 0.13 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.47 2ksd h VAL 42 Cb 0.29 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 2ksd h VAL 42 CO -0.30 0.12 0.20 0.74 0.02 0.00 0.00 177.57 178.35 2ksd h THR 43 N 0.65 0.91 -0.68 2.57 2.02 0.81 0.37 112.91 119.56 2ksd h THR 43 Ca 0.23 -0.14 -0.06 0.00 0.77 0.00 0.00 66.41 67.21 2ksd h THR 43 Cb 0.04 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 2ksd h THR 43 CO -0.10 0.07 0.19 -0.03 0.37 0.00 0.00 175.52 176.02 2ksd h MET 44 N 0.39 1.06 -0.23 6.66 4.05 0.14 -3.06 114.93 123.95 2ksd h MET 44 Ca 0.21 -0.23 -0.11 0.00 -0.28 0.00 0.00 59.70 59.28 2ksd h MET 44 Cb 0.16 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 30.81 2ksd h MET 44 CO -0.18 0.92 -0.30 0.28 0.23 0.00 0.00 176.91 177.86 2ksd h VAL 45 N 1.02 1.32 -4.34 -5.77 2.07 -0.31 -3.45 116.25 106.78 2ksd h VAL 45 Ca 0.22 -1.49 -0.51 0.00 0.82 0.00 0.00 66.70 65.74 2ksd h VAL 45 Cb 0.32 1.73 0.09 0.00 -1.52 0.00 0.00 31.29 31.91 2ksd h VAL 45 CO -0.00 0.47 0.38 -0.76 0.02 0.00 0.00 177.57 177.67 2ksd s LEU 46 N -8.93 3.11 -0.46 2.57 2.01 0.12 -5.05 118.68 112.05 2ksd s LEU 46 Ca -0.13 1.53 0.03 0.00 0.01 0.00 0.00 54.13 55.57 2ksd s LEU 46 Cb 0.08 -4.43 0.14 0.00 0.01 0.00 0.00 46.19 41.99 2ksd s LEU 46 CO 0.82 -1.33 0.26 -1.00 1.01 0.00 0.00 176.35 176.11 2ksd s HIS 47 N -3.10 2.15 0.00 0.29 3.76 -1.26 -4.87 115.29 112.26 2ksd s HIS 47 Ca 0.57 -2.55 0.00 0.00 -0.15 0.00 0.00 55.06 52.94 2ksd s HIS 47 Cb -0.13 -1.97 0.00 0.00 1.11 0.00 0.00 32.58 31.58 2ksd s HIS 47 CO 0.55 -0.76 0.00 0.41 -0.85 0.00 0.00 174.74 174.08 2ksd n GLY 48 N 3.36 -0.17 0.00 -2.22 0.00 -1.26 -5.03 105.19 99.87 2ksd n GLY 48 Ca 0.10 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2ksd n GLY 48 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ksd n GLN 49 N -0.31 0.00 -1.26 1.61 0.00 -1.26 -5.02 117.38 111.14 2ksd n GLN 49 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.00 56.64 2ksd n GLN 49 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.22 2ksd n GLN 49 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 2ksd n VAL 50 N 0.00 3.56 -3.87 1.69 0.24 -1.26 -4.16 118.33 114.52 2ksd n VAL 50 Ca 0.00 -2.34 -0.10 0.00 -2.04 0.00 0.00 64.34 59.85 2ksd n VAL 50 Cb 0.00 -2.49 0.01 0.00 -1.47 0.00 0.00 33.84 29.89 2ksd n VAL 50 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2ksd s GLU 51 N 2.85 2.19 -0.74 7.34 0.41 -1.26 -4.45 118.70 125.04 2ksd s GLU 51 Ca 0.58 -1.54 -0.24 0.00 -0.41 0.00 0.00 54.97 53.36 2ksd s GLU 51 Cb 0.15 0.58 -0.18 0.00 -1.78 0.00 0.00 34.13 32.90 2ksd s GLU 51 CO -0.05 -1.00 1.88 0.45 -0.49 0.00 0.00 175.26 176.05 2ksd n SER 52 N -1.47 2.34 0.03 -0.19 2.88 -1.26 -3.27 113.62 112.69 2ksd n SER 52 Ca -0.06 -2.65 0.00 0.00 -1.33 0.00 0.00 58.87 54.83 2ksd n SER 52 Cb 0.60 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 2ksd n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ksd n ILE 53 N 6.64 0.00 -0.00 2.46 3.06 -1.26 -4.97 119.36 125.29 2ksd n ILE 53 Ca 0.48 0.00 -0.18 0.00 -2.50 0.00 0.00 62.75 60.55 2ksd n ILE 53 Cb 0.42 0.00 -0.09 0.00 0.54 0.00 0.00 39.64 40.51 2ksd n ILE 53 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 2ksd h ASP 54 N 0.00 0.75 -0.54 9.51 5.19 -1.71 -3.40 116.42 126.22 2ksd h ASP 54 Ca 0.00 -0.69 -0.26 0.00 -0.62 0.00 0.00 57.03 55.46 2ksd h ASP 54 Cb 0.00 -0.22 -0.04 0.00 0.18 0.00 0.00 39.33 39.25 2ksd h ASP 54 CO 0.00 1.33 0.75 -0.69 -3.12 0.00 0.00 179.24 177.51 2ksd s VAL 55 N -3.50 3.42 0.17 -1.35 1.01 -1.26 -4.92 120.40 113.97 2ksd s VAL 55 Ca -0.12 -0.53 -0.32 0.00 0.00 0.00 0.00 61.98 61.02 2ksd s VAL 55 Cb 0.06 -4.14 -0.11 0.00 0.00 0.00 0.00 36.38 32.19 2ksd s VAL 55 CO 0.87 -0.81 1.67 -0.63 0.00 0.00 0.00 175.10 176.19 2ksd s ILE 56 N 11.41 2.41 0.01 2.22 1.01 -1.26 -4.48 121.20 132.51 2ksd s ILE 56 Ca 0.72 0.23 -0.00 0.00 0.00 0.00 0.00 60.65 61.60 2ksd s ILE 56 Cb -0.05 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.28 2ksd s ILE 56 CO 0.07 0.01 0.00 -1.14 0.00 0.00 0.00 174.94 173.88 2ksd n ARG 57 N 4.35 -2.11 -0.12 2.79 0.63 -1.26 -4.50 116.66 116.43 2ksd n ARG 57 Ca 0.15 1.83 -0.06 0.00 -0.92 0.00 0.00 57.85 58.85 2ksd n ARG 57 Cb 0.37 -2.23 0.00 0.00 0.45 0.00 0.00 32.46 31.06 2ksd n ARG 57 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2ksd h SER 58 N 1.73 -0.83 -0.92 6.15 4.64 -2.04 0.66 113.55 122.95 2ksd h SER 58 Ca -0.00 0.17 0.20 0.00 -0.47 0.00 0.00 61.79 61.69 2ksd h SER 58 Cb 0.01 0.42 -0.07 0.00 -0.31 0.00 0.00 62.40 62.45 2ksd h SER 58 CO 0.00 -0.27 0.60 0.40 -0.87 0.00 0.00 176.83 176.70 2ksd h ILE 59 N -0.17 0.68 -1.10 0.95 1.08 -1.96 0.16 117.51 117.15 2ksd h ILE 59 Ca 0.19 -0.16 0.31 0.00 -0.39 0.00 0.00 64.86 64.81 2ksd h ILE 59 Cb 0.48 0.18 -0.07 0.00 -3.07 0.00 0.00 36.82 34.34 2ksd h ILE 59 CO -0.51 0.08 0.76 0.15 -0.69 0.00 0.00 178.15 177.94 2ksd h PHE 60 N 0.46 0.29 -0.96 1.37 3.04 -1.09 -0.57 116.94 119.47 2ksd h PHE 60 Ca 0.49 0.01 0.31 0.00 3.98 0.00 0.00 57.97 62.75 2ksd h PHE 60 Cb 1.14 -0.08 -0.16 0.00 2.56 0.00 0.00 35.95 39.41 2ksd h PHE 60 CO -0.00 0.02 0.32 0.35 -2.02 0.00 0.00 178.31 176.97 2ksd h PHE 61 N 0.17 0.47 -1.00 0.41 3.04 -1.02 0.28 116.94 119.29 2ksd h PHE 61 Ca 0.57 0.05 0.38 0.00 3.98 0.00 0.00 57.97 62.95 2ksd h PHE 61 Cb 1.91 -0.05 -0.17 0.00 2.56 0.00 0.00 35.95 40.20 2ksd h PHE 61 CO -0.00 -0.33 0.49 0.78 -2.02 0.00 0.00 178.31 177.23 2ksd h GLY 62 N 0.12 2.12 0.05 2.40 0.00 -1.31 0.49 103.07 106.94 2ksd h GLY 62 Ca 0.67 -0.14 0.07 0.00 0.00 0.00 0.00 47.33 47.94 2ksd h GLY 62 CO -0.75 -0.70 -0.23 -2.00 0.00 0.00 0.00 176.54 172.86 2ksd h LEU 63 N 0.08 -0.75 -1.90 3.11 5.85 -0.65 0.46 115.31 121.51 2ksd h LEU 63 Ca 0.79 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 59.64 2ksd h LEU 63 Cb 2.00 0.38 -0.00 0.00 0.37 0.00 0.00 40.66 43.41 2ksd h LEU 63 CO -0.74 -0.26 -0.12 0.25 -0.34 0.00 0.00 178.44 177.23 2ksd h LEU 64 N -0.19 0.00 -1.77 2.25 5.85 -0.21 -1.36 115.31 119.88 2ksd h LEU 64 Ca 0.17 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 2ksd h LEU 64 Cb 0.45 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 2ksd h LEU 64 CO -0.45 0.12 -0.08 -0.29 -0.34 0.00 0.00 178.44 177.41 2ksd h ILE 65 N 0.00 0.27 0.76 4.05 6.09 0.86 -1.35 117.51 128.18 2ksd h ILE 65 Ca -0.00 -0.55 -0.04 0.00 -1.37 0.00 0.00 64.86 62.90 2ksd h ILE 65 Cb 0.33 1.43 0.01 0.00 0.47 0.00 0.00 36.82 39.06 2ksd h ILE 65 CO 0.02 0.08 -0.36 0.74 -3.07 0.00 0.00 178.15 175.55 2ksd h THR 66 N 0.00 0.00 -0.64 2.19 2.02 -0.42 0.53 112.91 116.58 2ksd h THR 66 Ca -0.00 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 2ksd h THR 66 Cb 0.43 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 2ksd h THR 66 CO 0.01 0.00 0.14 1.55 0.37 0.00 0.00 175.52 177.59 2ksd h PRO 67 N -1.11 1.04 -0.26 6.66 0.13 -1.69 -1.35 132.00 135.41 2ksd h PRO 67 Ca -0.10 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2ksd h PRO 67 Cb 0.78 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 2ksd h PRO 67 CO 0.17 0.95 0.17 2.35 -0.23 0.00 0.00 178.00 181.41 2ksd h TRP 68 N 0.96 0.33 0.14 1.56 2.91 -1.25 0.26 115.95 120.86 2ksd h TRP 68 Ca 0.20 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.22 2ksd h TRP 68 Cb 0.39 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 28.93 2ksd h TRP 68 CO 0.03 0.21 -0.07 0.00 -1.03 0.00 0.00 178.44 177.58 2ksd h ALA 69 N 1.10 -0.19 -0.10 2.65 0.00 0.21 0.43 119.26 123.36 2ksd h ALA 69 Ca 0.10 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2ksd h ALA 69 Cb -0.04 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2ksd h ALA 69 CO -0.02 -0.60 -0.12 0.28 0.00 0.00 0.00 179.25 178.79 2ksd h VAL 70 N -0.20 0.67 0.22 0.00 2.07 -1.05 0.39 116.25 118.35 2ksd h VAL 70 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 2ksd h VAL 70 Cb 0.16 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2ksd h VAL 70 CO 0.03 0.00 -0.15 0.22 0.02 0.00 0.00 177.57 177.69 2ksd h TYR 71 N -0.16 -0.40 -0.58 1.57 5.03 -0.31 0.44 116.97 122.57 2ksd h TYR 71 Ca 0.08 -0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.47 2ksd h TYR 71 Cb 0.27 0.15 -0.07 0.00 1.55 0.00 0.00 36.73 38.62 2ksd h TYR 71 CO -0.23 -0.24 0.20 0.35 -1.32 0.00 0.00 178.16 176.92 2ksd h PHE 72 N -0.37 0.34 0.26 -3.82 3.57 0.12 0.26 116.94 117.31 2ksd h PHE 72 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2ksd h PHE 72 Cb 0.32 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 2ksd h PHE 72 CO -0.10 0.08 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.72 2ksd h LEU 73 N 0.37 -0.71 0.41 0.59 3.38 0.16 0.15 115.31 119.66 2ksd h LEU 73 Ca 0.29 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 2ksd h LEU 73 Cb 0.36 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2ksd h LEU 73 CO -0.31 -0.38 -0.41 -1.28 0.09 0.00 0.00 178.44 176.15 2ksd h SER 74 N -0.56 -1.13 -0.56 -0.43 0.87 -0.18 0.41 113.55 111.98 2ksd h SER 74 Ca -0.01 0.09 0.11 0.00 -1.23 0.00 0.00 61.79 60.76 2ksd h SER 74 Cb 0.52 0.38 -0.09 0.00 -0.44 0.00 0.00 62.40 62.77 2ksd h SER 74 CO -0.06 -0.57 0.04 0.58 -0.53 0.00 0.00 176.83 176.30 2ksd h VAL 75 N -0.84 0.59 -0.26 2.23 2.07 -0.42 0.42 116.25 120.04 2ksd h VAL 75 Ca -0.04 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 2ksd h VAL 75 Cb 0.75 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2ksd h VAL 75 CO -0.07 0.03 0.01 0.58 0.02 0.00 0.00 177.57 178.15 2ksd h VAL 76 N 0.16 1.25 -0.89 2.57 2.07 -0.44 0.90 116.25 121.87 2ksd h VAL 76 Ca 0.29 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 2ksd h VAL 76 Cb 0.44 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 2ksd h VAL 76 CO -0.43 0.27 0.55 0.58 0.02 0.00 0.00 177.57 178.56 2ksd h VAL 77 N 0.23 1.24 0.23 2.57 2.07 0.57 -2.82 116.25 120.35 2ksd h VAL 77 Ca 0.07 -0.51 -0.33 0.00 0.82 0.00 0.00 66.70 66.76 2ksd h VAL 77 Cb 0.39 -0.03 0.03 0.00 -1.52 0.00 0.00 31.29 30.16 2ksd h VAL 77 CO 0.01 0.25 -1.45 -0.33 0.02 0.00 0.00 177.57 176.07 2ksd h GLU 78 N 1.23 0.49 -6.41 1.57 5.08 -0.07 -3.32 114.58 113.13 2ksd h GLU 78 Ca 0.32 -0.83 -0.60 0.00 -1.00 0.00 0.00 59.36 57.25 2ksd h GLU 78 Cb -0.07 0.31 0.04 0.00 0.50 0.00 0.00 28.75 29.53 2ksd h GLU 78 CO -0.06 1.40 0.89 0.94 -1.00 0.00 0.00 179.01 181.18 2ksd n GLN 79 N -3.68 2.11 -0.27 2.33 -0.06 0.31 -4.99 117.38 113.14 2ksd n GLN 79 Ca -0.15 0.77 0.00 0.00 -2.00 0.00 0.00 57.00 55.61 2ksd n GLN 79 Cb 1.09 -2.56 0.00 0.00 -4.06 0.00 0.00 30.24 24.71 2ksd n GLN 79 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 2ksd n LEU 80 N 4.54 0.00 -3.28 1.69 7.94 -1.26 -4.69 117.00 121.94 2ksd n LEU 80 Ca 0.19 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.81 2ksd n LEU 80 Cb 0.28 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.21 2ksd n LEU 80 CO 0.67 -0.14 2.48 1.21 -1.11 0.00 0.00 177.39 180.50 2ksd n GLU 81 N -0.28 2.25 0.00 1.96 2.13 -1.26 -4.22 120.64 121.22 2ksd n GLU 81 Ca 0.00 -1.65 0.00 0.00 0.66 0.00 0.00 57.16 56.17 2ksd n GLU 81 Cb 0.00 -2.59 0.00 0.00 0.27 0.00 0.00 31.44 29.12 2ksd n GLU 81 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2ksd n GLU 82 N 4.58 0.00 0.00 5.31 1.02 -1.26 -5.12 120.64 125.16 2ksd n GLU 82 Ca 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 2ksd n GLU 82 Cb 0.19 -0.16 0.00 0.00 -0.02 0.00 0.00 31.44 31.45 2ksd n GLU 82 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2ksd n SER 83 N -2.34 -2.31 -3.26 1.62 2.88 -1.26 -4.99 113.62 103.97 2ksd n SER 83 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 2ksd n SER 83 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 2ksd n SER 83 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2ksd n ARG 84 N -0.22 -1.98 0.00 -1.46 0.00 -1.26 -4.74 116.66 107.01 2ksd n ARG 84 Ca 0.00 0.94 0.00 0.00 -0.00 0.00 0.00 57.85 58.79 2ksd n ARG 84 Cb 0.00 -5.62 0.00 0.00 0.00 0.00 0.00 32.46 26.84 2ksd n ARG 84 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2ksd n GLN 85 N -3.05 0.00 -0.94 -0.14 7.27 -1.26 -5.03 117.38 114.23 2ksd n GLN 85 Ca -0.06 0.00 0.12 0.00 0.07 0.00 0.00 57.00 57.13 2ksd n GLN 85 Cb 0.60 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.21 2ksd n GLN 85 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 2ksd n ARG 86 N -0.26 -1.97 -3.65 3.69 0.63 -1.26 -4.90 116.66 108.94 2ksd n ARG 86 Ca 0.00 1.39 -0.24 0.00 -0.92 0.00 0.00 57.85 58.08 2ksd n ARG 86 Cb 0.00 -2.37 0.01 0.00 0.45 0.00 0.00 32.46 30.54 2ksd n ARG 86 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2ksd n LEU 87 N -3.40 -0.75 -3.40 6.15 0.00 -1.26 -4.93 117.00 109.40 2ksd n LEU 87 Ca -0.01 -0.79 -0.19 0.00 0.00 0.00 0.00 56.01 55.02 2ksd n LEU 87 Cb 0.43 -1.11 -0.09 0.00 0.00 0.00 0.00 43.42 42.66 2ksd n LEU 87 CO 0.01 0.41 -0.19 -0.55 0.00 0.00 0.00 177.39 177.07 2ksd s SER 88 N -3.22 1.70 0.00 1.96 0.15 -1.26 -4.91 113.70 108.12 2ksd s SER 88 Ca 0.14 -1.38 0.00 0.00 0.70 0.00 0.00 55.95 55.42 2ksd s SER 88 Cb -0.08 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 2ksd s SER 88 CO 0.65 -0.32 0.00 -1.14 1.20 0.00 0.00 173.24 173.63