#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 -3.60 2.12 0.00 -1.26 -4.40 117.12 109.98 2ksd n MET 16 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.70 57.43 2ksd n MET 16 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.12 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 0.00 1.88 -3.86 2.12 4.01 -1.26 -1.81 118.16 119.24 2ksd n LYS 17 Ca 0.00 -4.34 -0.17 0.00 -0.51 0.00 0.00 58.31 53.29 2ksd n LYS 17 Cb 0.00 -2.13 -0.16 0.00 -0.51 0.00 0.00 35.03 32.23 2ksd n LYS 17 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2ksd s LEU 18 N -1.72 1.07 -0.34 -0.35 0.20 -1.26 -4.96 118.68 111.32 2ksd s LEU 18 Ca 0.33 0.00 -0.27 0.00 0.69 0.00 0.00 54.13 54.87 2ksd s LEU 18 Cb 0.06 -0.17 -0.06 0.00 -0.43 0.00 0.00 46.19 45.59 2ksd s LEU 18 CO -0.10 -0.12 2.29 -0.83 -0.29 0.00 0.00 176.35 177.30 2ksd s GLY 19 N 1.11 0.10 0.29 7.98 0.00 -1.22 -1.53 107.32 114.06 2ksd s GLY 19 Ca -0.09 0.44 0.04 0.00 0.00 0.00 0.00 44.72 45.11 2ksd s GLY 19 CO -0.02 3.94 1.74 -2.00 0.00 0.00 0.00 173.10 176.76 2ksd h LEU 20 N 17.04 0.54 -7.16 0.66 7.12 -1.82 -3.15 115.31 128.55 2ksd h LEU 20 Ca -0.34 0.12 -0.63 0.00 0.13 0.00 0.00 57.88 57.17 2ksd h LEU 20 Cb 1.25 0.05 -0.42 0.00 -0.53 0.00 0.00 40.66 41.01 2ksd h LEU 20 CO 1.05 0.13 -0.60 0.68 -0.13 0.00 0.00 178.44 179.58 2ksd s VAL 21 N -5.88 2.75 0.00 1.05 -7.23 -1.26 -5.03 120.40 104.80 2ksd s VAL 21 Ca -0.11 -3.97 0.00 0.00 -1.81 0.00 0.00 61.98 56.09 2ksd s VAL 21 Cb 0.25 -2.84 0.00 0.00 0.56 0.00 0.00 36.38 34.35 2ksd s VAL 21 CO 0.79 -0.95 0.00 -1.14 -0.31 0.00 0.00 175.10 173.49 2ksd n ARG 22 N 2.32 0.00 -1.60 4.82 0.63 -1.19 -4.82 116.66 116.83 2ksd n ARG 22 Ca 0.16 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.67 2ksd n ARG 22 Cb 0.34 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.27 2ksd n ARG 22 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2ksd n PHE 23 N 0.48 1.03 -0.09 -0.14 3.72 -1.26 -3.92 117.46 117.28 2ksd n PHE 23 Ca 0.00 0.56 0.01 0.00 -0.05 0.00 0.00 57.45 57.97 2ksd n PHE 23 Cb 0.00 -2.21 -0.00 0.00 -0.94 0.00 0.00 39.48 36.33 2ksd n PHE 23 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2ksd n SER 24 N 0.52 -0.47 -4.08 4.37 2.88 -1.26 -4.62 113.62 110.95 2ksd n SER 24 Ca 0.10 0.09 -0.39 0.00 -1.33 0.00 0.00 58.87 57.34 2ksd n SER 24 Cb 0.39 -0.10 -0.03 0.00 -0.75 0.00 0.00 64.21 63.72 2ksd n SER 24 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 2ksd n MET 25 N -2.02 2.15 -0.30 -1.46 1.56 -1.26 -3.41 117.12 112.38 2ksd n MET 25 Ca -0.00 -2.45 0.21 0.00 -0.27 0.00 0.00 57.70 55.18 2ksd n MET 25 Cb 0.04 -3.32 0.49 0.00 2.15 0.00 0.00 33.22 32.58 2ksd n MET 25 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 2ksd h LEU 26 N 13.77 0.46 -1.60 -0.89 4.07 -1.84 -0.12 115.31 129.16 2ksd h LEU 26 Ca 0.41 0.07 0.27 0.00 0.08 0.00 0.00 57.88 58.71 2ksd h LEU 26 Cb 0.77 -0.01 -0.07 0.00 1.08 0.00 0.00 40.66 42.43 2ksd h LEU 26 CO 1.66 0.14 0.70 0.25 -1.08 0.00 0.00 178.44 180.10 2ksd h LEU 27 N 0.44 0.29 -1.41 1.67 5.85 -1.95 -1.11 115.31 119.08 2ksd h LEU 27 Ca 0.55 0.05 0.39 0.00 0.84 0.00 0.00 57.88 59.71 2ksd h LEU 27 Cb 1.33 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.25 2ksd h LEU 27 CO -0.26 0.07 0.81 0.00 -0.34 0.00 0.00 178.44 178.71 2ksd h ALA 28 N 1.56 2.62 -1.07 1.25 0.00 -1.42 0.30 119.26 122.50 2ksd h ALA 28 Ca 0.55 0.10 0.28 0.00 0.00 0.00 0.00 54.91 55.84 2ksd h ALA 28 Cb 1.65 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 19.50 2ksd h ALA 28 CO -0.18 -1.18 0.69 1.25 0.00 0.00 0.00 179.25 179.83 2ksd h LEU 29 N 0.16 0.42 -0.75 0.00 5.85 -1.41 0.36 115.31 119.93 2ksd h LEU 29 Ca 0.76 0.09 0.02 0.00 0.84 0.00 0.00 57.88 59.59 2ksd h LEU 29 Cb 2.30 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 43.31 2ksd h LEU 29 CO -0.38 0.05 0.49 0.00 -0.34 0.00 0.00 178.44 178.26 2ksd h ALA 30 N 1.62 0.97 -0.13 1.25 0.00 -0.62 0.29 119.26 122.64 2ksd h ALA 30 Ca 0.62 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.45 2ksd h ALA 30 Cb 1.63 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 2ksd h ALA 30 CO -0.31 0.32 -0.07 -0.07 0.00 0.00 0.00 179.25 179.12 2ksd h LEU 31 N 0.97 0.29 0.15 0.00 3.38 -0.48 -0.96 115.31 118.66 2ksd h LEU 31 Ca 0.29 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.85 2ksd h LEU 31 Cb -0.04 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2ksd h LEU 31 CO -0.09 0.65 -0.25 0.58 0.09 0.00 0.00 178.44 179.42 2ksd h VAL 32 N -0.07 0.45 -0.32 1.22 2.07 -0.83 0.30 116.25 119.06 2ksd h VAL 32 Ca 0.03 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.60 2ksd h VAL 32 Cb 0.54 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 2ksd h VAL 32 CO 0.02 0.00 0.03 0.58 0.02 0.00 0.00 177.57 178.22 2ksd h VAL 33 N -0.48 0.80 -0.25 2.57 2.07 -0.46 0.12 116.25 120.62 2ksd h VAL 33 Ca 0.02 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.54 2ksd h VAL 33 Cb 0.49 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2ksd h VAL 33 CO -0.12 0.02 -0.04 -0.07 0.02 0.00 0.00 177.57 177.38 2ksd h LEU 34 N 0.13 -0.18 -0.27 2.57 -0.00 -0.74 0.28 115.31 117.10 2ksd h LEU 34 Ca 0.15 0.07 0.05 0.00 -0.00 0.00 0.00 57.88 58.15 2ksd h LEU 34 Cb 0.19 0.13 -0.04 0.00 -0.00 0.00 0.00 40.66 40.94 2ksd h LEU 34 CO -0.23 -0.06 -0.00 0.00 -0.00 0.00 0.00 178.44 178.15 2ksd h ALA 35 N 1.24 0.23 -0.28 1.53 0.00 0.26 0.27 119.26 122.51 2ksd h ALA 35 Ca 0.12 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.15 2ksd h ALA 35 Cb 0.17 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2ksd h ALA 35 CO -0.24 -0.42 0.02 0.82 0.00 0.00 0.00 179.25 179.43 2ksd h ILE 36 N 0.08 0.82 -0.40 0.00 2.04 -0.11 0.20 117.51 120.15 2ksd h ILE 36 Ca 0.13 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 66.00 2ksd h ILE 36 Cb 0.17 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 2ksd h ILE 36 CO -0.22 0.02 0.14 0.58 0.00 0.00 0.00 178.15 178.67 2ksd h VAL 37 N 0.11 0.88 -0.07 1.67 2.07 0.24 0.26 116.25 121.40 2ksd h VAL 37 Ca 0.13 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.57 2ksd h VAL 37 Cb 0.16 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2ksd h VAL 37 CO -0.21 0.05 -0.04 0.58 0.02 0.00 0.00 177.57 177.98 2ksd h VAL 38 N 0.30 0.88 -0.49 2.57 2.07 0.25 0.31 116.25 122.15 2ksd h VAL 38 Ca 0.18 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.74 2ksd h VAL 38 Cb 0.17 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2ksd h VAL 38 CO -0.19 0.00 0.25 -0.61 0.02 0.00 0.00 177.57 177.04 2ksd h GLN 39 N -0.03 0.48 -0.12 1.57 4.15 -0.09 0.24 115.11 121.31 2ksd h GLN 39 Ca 0.04 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 2ksd h GLN 39 Cb 0.09 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 2ksd h GLN 39 CO -0.09 0.32 0.07 1.98 -1.93 0.00 0.00 178.83 179.17 2ksd h MET 40 N 0.49 0.16 0.27 1.69 4.05 -0.08 0.14 114.93 121.65 2ksd h MET 40 Ca 0.21 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.62 2ksd h MET 40 Cb 0.11 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 2ksd h MET 40 CO -0.15 0.16 -0.23 0.00 0.23 0.00 0.00 176.91 176.92 2ksd h ALA 41 N 0.99 -0.51 -0.67 0.39 0.00 0.06 0.85 119.26 120.38 2ksd h ALA 41 Ca 0.04 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.97 2ksd h ALA 41 Cb 0.04 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 2ksd h ALA 41 CO -0.01 -0.81 0.29 0.28 0.00 0.00 0.00 179.25 179.00 2ksd h VAL 42 N -0.52 0.79 -0.90 0.00 2.07 -0.43 0.91 116.25 118.16 2ksd h VAL 42 Ca -0.01 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.36 2ksd h VAL 42 Cb 0.47 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 2ksd h VAL 42 CO -0.03 0.09 0.59 0.74 0.02 0.00 0.00 177.57 178.98 2ksd h THR 43 N 0.49 1.20 -0.37 2.57 2.02 -0.22 0.49 112.91 119.09 2ksd h THR 43 Ca 0.34 -0.41 -0.15 0.00 0.77 0.00 0.00 66.41 66.96 2ksd h THR 43 Cb 0.41 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 2ksd h THR 43 CO -0.30 0.22 -0.37 0.24 0.37 0.00 0.00 175.52 175.67 2ksd h MET 44 N 1.19 0.88 0.00 6.66 2.86 0.68 -3.20 114.93 124.00 2ksd h MET 44 Ca 0.34 -0.45 -0.20 0.00 -2.06 0.00 0.00 59.70 57.33 2ksd h MET 44 Cb -0.09 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 2ksd h MET 44 CO -0.09 1.10 -0.97 -0.39 1.06 0.00 0.00 176.91 177.62 2ksd h VAL 45 N 0.72 1.68 -2.73 -2.22 -1.51 -0.52 -3.45 116.25 108.22 2ksd h VAL 45 Ca 0.06 -3.28 -0.53 0.00 -1.23 0.00 0.00 66.70 61.73 2ksd h VAL 45 Cb 0.95 2.78 0.04 0.00 -2.13 0.00 0.00 31.29 32.92 2ksd h VAL 45 CO 0.09 0.94 0.96 -0.22 -1.23 0.00 0.00 177.57 178.10 2ksd s LEU 46 N -6.82 4.37 0.39 4.19 2.96 0.17 -4.89 118.68 119.04 2ksd s LEU 46 Ca 0.01 2.60 0.10 0.00 -0.22 0.00 0.00 54.13 56.61 2ksd s LEU 46 Cb 0.10 -3.58 0.87 0.00 0.50 0.00 0.00 46.19 44.08 2ksd s LEU 46 CO 0.82 -0.88 1.94 -0.74 -1.32 0.00 0.00 176.35 176.17 2ksd h HIS 47 N 7.56 0.66 -3.28 5.38 2.76 -1.88 -3.40 115.15 122.95 2ksd h HIS 47 Ca -0.43 0.02 -0.57 0.00 -2.20 0.00 0.00 60.37 57.19 2ksd h HIS 47 Cb 1.20 -0.21 -0.06 0.00 1.55 0.00 0.00 27.41 29.89 2ksd h HIS 47 CO 0.71 0.31 0.45 0.20 -1.30 0.00 0.00 177.93 178.30 2ksd s GLY 48 N -3.67 2.16 -0.34 5.26 0.00 -1.26 -4.97 107.32 104.50 2ksd s GLY 48 Ca -0.09 0.14 -0.27 0.00 0.00 0.00 0.00 44.72 44.49 2ksd s GLY 48 CO 0.77 1.75 2.27 1.62 0.00 0.00 0.00 173.10 179.50 2ksd s GLN 49 N 2.13 2.73 0.03 2.90 0.74 -1.26 -4.48 119.66 122.44 2ksd s GLN 49 Ca 0.41 1.73 0.00 0.00 0.05 0.00 0.00 55.36 57.55 2ksd s GLN 49 Cb -0.17 -4.45 0.00 0.00 1.10 0.00 0.00 33.01 29.49 2ksd s GLN 49 CO 0.14 -2.57 0.00 0.28 -0.55 0.00 0.00 175.29 172.59 2ksd n VAL 50 N 7.83 -1.44 -0.95 1.34 0.31 -1.26 -4.61 118.33 119.54 2ksd n VAL 50 Ca 0.32 0.20 -0.27 0.00 -0.01 0.00 0.00 64.34 64.58 2ksd n VAL 50 Cb 0.49 -1.24 -0.03 0.00 -0.91 0.00 0.00 33.84 32.15 2ksd n VAL 50 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2ksd n GLU 51 N -0.39 2.64 -1.95 5.55 0.00 -1.26 -3.41 120.64 121.82 2ksd n GLU 51 Ca 0.00 -1.68 -0.01 0.00 0.00 0.00 0.00 57.16 55.47 2ksd n GLU 51 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 31.44 28.91 2ksd n GLU 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2ksd n SER 52 N 3.84 -0.45 0.10 4.31 3.41 -1.26 -5.02 113.62 118.54 2ksd n SER 52 Ca 0.56 -1.28 -0.05 0.00 -0.26 0.00 0.00 58.87 57.84 2ksd n SER 52 Cb 0.21 0.37 0.05 0.00 -0.26 0.00 0.00 64.21 64.58 2ksd n SER 52 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 2ksd h ILE 53 N 0.34 1.52 0.42 -1.33 3.07 -1.81 -2.98 117.51 116.74 2ksd h ILE 53 Ca -0.23 -2.55 -0.02 0.00 1.55 0.00 0.00 64.86 63.62 2ksd h ILE 53 Cb 1.10 2.38 0.00 0.00 -0.27 0.00 0.00 36.82 40.03 2ksd h ILE 53 CO -0.08 0.73 -0.20 -0.78 -1.05 0.00 0.00 178.15 176.77 2ksd h ASP 54 N 0.05 -0.47 -2.78 2.16 3.58 -1.95 -3.41 116.42 113.59 2ksd h ASP 54 Ca -0.02 -0.11 -0.59 0.00 0.42 0.00 0.00 57.03 56.73 2ksd h ASP 54 Cb 1.37 0.12 -0.39 0.00 1.72 0.00 0.00 39.33 42.15 2ksd h ASP 54 CO 0.11 -0.06 -0.84 -0.69 -2.88 0.00 0.00 179.24 174.88 2ksd s VAL 55 N -4.17 0.64 -0.81 2.25 1.01 -1.25 -5.08 120.40 112.99 2ksd s VAL 55 Ca -0.13 -2.28 -0.25 0.00 0.00 0.00 0.00 61.98 59.32 2ksd s VAL 55 Cb 0.01 -1.45 0.05 0.00 0.00 0.00 0.00 36.38 34.99 2ksd s VAL 55 CO 0.43 -1.03 1.27 -0.51 0.00 0.00 0.00 175.10 175.26 2ksd s ILE 56 N 0.52 3.91 -0.04 2.22 2.07 -1.12 -4.96 121.20 123.78 2ksd s ILE 56 Ca 0.22 -0.09 0.01 0.00 -1.41 0.00 0.00 60.65 59.38 2ksd s ILE 56 Cb -0.16 -4.91 0.02 0.00 0.13 0.00 0.00 42.46 37.54 2ksd s ILE 56 CO -0.05 -1.80 -0.03 -0.13 -1.91 0.00 0.00 174.94 171.01 2ksd s ARG 57 N 5.16 0.73 0.07 3.50 1.81 -1.26 -5.06 118.95 123.90 2ksd s ARG 57 Ca 0.36 -0.06 -0.36 0.00 -1.72 0.00 0.00 55.73 53.95 2ksd s ARG 57 Cb -0.07 -0.80 -0.18 0.00 -0.45 0.00 0.00 34.95 33.45 2ksd s ARG 57 CO 0.07 -0.11 1.55 0.66 -0.68 0.00 0.00 175.30 176.79 2ksd h SER 58 N 7.30 -1.29 -1.00 0.23 4.64 -2.03 -2.55 113.55 118.85 2ksd h SER 58 Ca -0.37 0.09 0.21 0.00 -0.47 0.00 0.00 61.79 61.25 2ksd h SER 58 Cb 1.15 0.40 -0.11 0.00 -0.31 0.00 0.00 62.40 63.52 2ksd h SER 58 CO 0.45 -0.72 0.61 0.40 -0.87 0.00 0.00 176.83 176.71 2ksd h ILE 59 N -1.12 0.65 -1.04 0.95 5.03 -2.01 0.57 117.51 120.53 2ksd h ILE 59 Ca -0.09 -0.24 0.27 0.00 -0.12 0.00 0.00 64.86 64.69 2ksd h ILE 59 Cb 0.92 -0.10 -0.11 0.00 -3.03 0.00 0.00 36.82 34.50 2ksd h ILE 59 CO 0.04 0.13 0.64 0.15 -0.68 0.00 0.00 178.15 178.43 2ksd h PHE 60 N 0.69 0.82 -1.10 1.37 3.57 -1.86 0.26 116.94 120.69 2ksd h PHE 60 Ca 0.60 0.03 0.30 0.00 3.53 0.00 0.00 57.97 62.43 2ksd h PHE 60 Cb 1.03 -0.23 -0.10 0.00 2.79 0.00 0.00 35.95 39.44 2ksd h PHE 60 CO -0.00 0.02 0.71 0.35 -2.23 0.00 0.00 178.31 177.16 2ksd h PHE 61 N 0.44 0.58 -0.97 0.41 3.04 -0.83 0.75 116.94 120.37 2ksd h PHE 61 Ca 0.64 0.02 0.27 0.00 3.98 0.00 0.00 57.97 62.89 2ksd h PHE 61 Cb 1.48 -0.16 -0.14 0.00 2.56 0.00 0.00 35.95 39.68 2ksd h PHE 61 CO -0.00 0.01 0.49 0.78 -2.02 0.00 0.00 178.31 177.57 2ksd h GLY 62 N 0.31 1.83 0.38 2.40 0.00 -0.63 0.43 103.07 107.80 2ksd h GLY 62 Ca 0.63 -0.21 0.10 0.00 0.00 0.00 0.00 47.33 47.85 2ksd h GLY 62 CO -0.30 -0.38 0.29 -2.00 0.00 0.00 0.00 176.54 174.16 2ksd h LEU 63 N 0.38 0.33 -2.07 3.11 6.46 -1.02 0.24 115.31 122.74 2ksd h LEU 63 Ca 0.66 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 58.48 2ksd h LEU 63 Cb 1.38 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 41.34 2ksd h LEU 63 CO -0.57 0.18 -0.06 0.25 -0.62 0.00 0.00 178.44 177.62 2ksd h LEU 64 N 0.49 0.00 -2.32 2.25 5.85 -0.27 -1.21 115.31 120.10 2ksd h LEU 64 Ca 0.34 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 2ksd h LEU 64 Cb 0.41 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 2ksd h LEU 64 CO -0.31 0.06 -0.04 -0.29 -0.34 0.00 0.00 178.44 177.52 2ksd h ILE 65 N 0.00 0.33 0.49 4.05 6.09 -0.14 -0.89 117.51 127.45 2ksd h ILE 65 Ca -0.00 -0.24 -0.02 0.00 -1.37 0.00 0.00 64.86 63.22 2ksd h ILE 65 Cb 0.12 1.18 0.00 0.00 0.47 0.00 0.00 36.82 38.59 2ksd h ILE 65 CO 0.01 0.04 -0.24 0.74 -3.07 0.00 0.00 178.15 175.63 2ksd h THR 66 N 0.00 0.00 -0.70 2.19 2.02 -1.19 0.49 112.91 115.72 2ksd h THR 66 Ca -0.00 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 2ksd h THR 66 Cb 0.17 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.55 2ksd h THR 66 CO 0.01 0.00 0.15 1.55 0.37 0.00 0.00 175.52 177.59 2ksd h PRO 67 N -0.69 1.14 -0.07 6.66 0.13 -1.71 -1.30 132.00 136.15 2ksd h PRO 67 Ca -0.07 -0.29 0.03 0.00 -0.87 0.00 0.00 66.00 64.80 2ksd h PRO 67 Cb 0.51 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 31.46 2ksd h PRO 67 CO 0.11 1.01 -0.09 2.35 -0.23 0.00 0.00 178.00 181.15 2ksd h TRP 68 N 1.07 -0.23 -0.33 1.56 7.01 -1.17 0.62 115.95 124.48 2ksd h TRP 68 Ca 0.22 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 2ksd h TRP 68 Cb 0.41 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 2ksd h TRP 68 CO 0.03 -0.14 0.15 0.00 -2.79 0.00 0.00 178.44 175.69 2ksd h ALA 69 N 0.92 0.43 -0.07 2.65 0.00 0.11 0.39 119.26 123.69 2ksd h ALA 69 Ca 0.06 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2ksd h ALA 69 Cb 0.21 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2ksd h ALA 69 CO -0.15 0.00 -0.15 0.28 0.00 0.00 0.00 179.25 179.23 2ksd h VAL 70 N 0.39 0.61 0.10 0.00 2.07 -0.91 0.41 116.25 118.93 2ksd h VAL 70 Ca 0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 2ksd h VAL 70 Cb 0.14 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2ksd h VAL 70 CO -0.01 0.00 -0.05 1.88 0.02 0.00 0.00 177.57 179.41 2ksd h TYR 71 N -0.22 -0.12 -0.09 1.57 -1.99 -0.77 -1.35 116.97 114.00 2ksd h TYR 71 Ca 0.07 -0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.84 2ksd h TYR 71 Cb 0.32 0.04 -0.06 0.00 2.00 0.00 0.00 36.73 39.03 2ksd h TYR 71 CO -0.24 0.12 -0.32 0.35 -0.00 0.00 0.00 178.16 178.08 2ksd h PHE 72 N -0.36 -0.88 -0.29 4.88 3.04 0.01 0.21 116.94 123.54 2ksd h PHE 72 Ca -0.01 0.04 0.06 0.00 3.98 0.00 0.00 57.97 62.03 2ksd h PHE 72 Cb 0.30 0.40 -0.05 0.00 2.56 0.00 0.00 35.95 39.16 2ksd h PHE 72 CO 0.00 -0.40 -0.07 -0.07 -2.02 0.00 0.00 178.31 175.75 2ksd h LEU 73 N -0.42 -0.26 0.22 0.59 4.07 -0.18 0.47 115.31 119.79 2ksd h LEU 73 Ca 0.08 0.09 0.01 0.00 0.08 0.00 0.00 57.88 58.14 2ksd h LEU 73 Cb 0.55 0.18 -0.04 0.00 1.08 0.00 0.00 40.66 42.43 2ksd h LEU 73 CO -0.32 -0.09 -0.41 0.28 -1.08 0.00 0.00 178.44 176.82 2ksd h SER 74 N 0.00 -1.16 -0.52 -0.43 0.02 -0.54 0.47 113.55 111.39 2ksd h SER 74 Ca 0.14 0.12 0.06 0.00 -0.84 0.00 0.00 61.79 61.26 2ksd h SER 74 Cb 0.21 0.42 -0.05 0.00 0.14 0.00 0.00 62.40 63.12 2ksd h SER 74 CO -0.29 -0.50 0.24 0.58 -1.14 0.00 0.00 176.83 175.71 2ksd h VAL 75 N -0.70 0.90 -0.86 2.27 2.07 -0.26 -0.84 116.25 118.83 2ksd h VAL 75 Ca 0.00 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.43 2ksd h VAL 75 Cb 0.69 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 2ksd h VAL 75 CO -0.18 0.08 0.54 0.58 0.02 0.00 0.00 177.57 178.61 2ksd h VAL 76 N 0.46 1.05 -0.68 2.57 2.07 0.44 1.11 116.25 123.27 2ksd h VAL 76 Ca 0.24 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2ksd h VAL 76 Cb 0.20 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.91 2ksd h VAL 76 CO -0.20 0.18 0.43 0.58 0.02 0.00 0.00 177.57 178.58 2ksd h VAL 77 N 0.98 1.19 -0.11 2.57 2.07 0.12 -2.79 116.25 120.27 2ksd h VAL 77 Ca 0.37 -0.37 -0.22 0.00 0.82 0.00 0.00 66.70 67.30 2ksd h VAL 77 Cb 0.16 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2ksd h VAL 77 CO -0.17 0.19 -0.79 -0.33 0.02 0.00 0.00 177.57 176.49 2ksd h GLU 78 N 0.92 0.73 -5.81 1.57 5.08 -0.05 -3.44 114.58 113.58 2ksd h GLU 78 Ca 0.25 -0.64 -0.65 0.00 -1.00 0.00 0.00 59.36 57.32 2ksd h GLU 78 Cb -0.07 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2ksd h GLU 78 CO -0.05 1.24 1.47 1.04 -1.00 0.00 0.00 179.01 181.71 2ksd n GLN 79 N -3.97 0.64 -2.35 2.33 6.02 0.37 -4.83 117.38 115.59 2ksd n GLN 79 Ca -0.08 0.15 -0.35 0.00 -0.01 0.00 0.00 57.00 56.70 2ksd n GLN 79 Cb 0.75 -2.16 -0.04 0.00 1.02 0.00 0.00 30.24 29.81 2ksd n GLN 79 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2ksd s LEU 80 N 7.68 3.35 0.00 1.08 1.98 -1.26 -4.89 118.68 126.62 2ksd s LEU 80 Ca 1.15 -1.08 -0.22 0.00 -2.89 0.00 0.00 54.13 51.09 2ksd s LEU 80 Cb -1.02 -2.56 0.34 0.00 0.66 0.00 0.00 46.19 43.61 2ksd s LEU 80 CO 0.51 -2.03 0.85 -0.62 -1.89 0.00 0.00 176.35 173.17 2ksd n GLU 81 N 8.89 -4.33 0.00 1.98 -0.58 -0.75 -3.89 120.64 121.97 2ksd n GLU 81 Ca 0.35 -1.41 0.00 0.00 -0.42 0.00 0.00 57.16 55.68 2ksd n GLU 81 Cb 0.49 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 2ksd n GLU 81 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2ksd n GLU 82 N -5.34 0.00 -1.62 3.49 1.02 -0.58 -4.74 120.64 112.86 2ksd n GLU 82 Ca 0.13 0.00 -0.46 0.00 -0.02 0.00 0.00 57.16 56.81 2ksd n GLU 82 Cb 0.55 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.94 2ksd n GLU 82 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2ksd n SER 83 N 1.56 1.99 -3.35 1.62 3.41 -1.25 -4.56 113.62 113.03 2ksd n SER 83 Ca 0.00 1.15 -0.31 0.00 -0.26 0.00 0.00 58.87 59.45 2ksd n SER 83 Cb 0.00 -1.33 -0.03 0.00 -0.26 0.00 0.00 64.21 62.59 2ksd n SER 83 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2ksd n ARG 84 N 1.64 2.13 -0.44 4.33 0.63 -1.26 -4.70 116.66 118.98 2ksd n ARG 84 Ca 0.12 -1.72 0.00 0.00 -0.92 0.00 0.00 57.85 55.33 2ksd n ARG 84 Cb 0.29 -2.68 0.00 0.00 0.45 0.00 0.00 32.46 30.52 2ksd n ARG 84 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2ksd n GLN 85 N 5.07 -1.26 -0.11 -0.14 7.27 -1.26 -4.98 117.38 121.97 2ksd n GLN 85 Ca 0.50 0.93 -0.18 0.00 0.07 0.00 0.00 57.00 58.32 2ksd n GLN 85 Cb 0.24 -1.04 -0.13 0.00 2.41 0.00 0.00 30.24 31.72 2ksd n GLN 85 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2ksd n ARG 86 N -0.69 0.67 0.06 3.69 5.12 -1.26 -5.00 116.66 119.25 2ksd n ARG 86 Ca 0.00 0.16 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 2ksd n ARG 86 Cb 0.00 -1.55 0.00 0.00 -1.16 0.00 0.00 32.46 29.75 2ksd n ARG 86 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2ksd n LEU 87 N -3.25 -1.08 0.00 0.55 7.94 -1.26 -5.17 117.00 114.73 2ksd n LEU 87 Ca -0.42 0.28 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 2ksd n LEU 87 Cb 1.01 1.29 0.00 0.00 0.53 0.00 0.00 43.42 46.25 2ksd n LEU 87 CO 0.30 -0.16 0.00 -0.24 -1.11 0.00 0.00 177.39 176.19 2ksd n SER 88 N -2.70 0.00 0.00 1.96 2.88 -1.26 -5.30 113.62 109.20 2ksd n SER 88 Ca 0.00 -0.64 0.00 0.00 -1.33 0.00 0.00 58.87 56.90 2ksd n SER 88 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2ksd n SER 88 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70