#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 1.34 -4.02 2.12 2.00 -1.26 -4.94 117.12 112.36 2ksd n MET 16 Ca 0.00 0.49 -0.09 0.00 0.00 0.00 0.00 57.70 58.10 2ksd n MET 16 Cb 0.00 -2.19 -0.06 0.00 0.00 0.00 0.00 33.22 30.97 2ksd n MET 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 2ksd s LYS 17 N 2.83 1.48 0.00 0.03 2.47 -1.26 -5.07 119.74 120.21 2ksd s LYS 17 Ca 0.94 -1.29 0.00 0.00 -1.56 0.00 0.00 55.97 54.06 2ksd s LYS 17 Cb -0.97 0.44 0.00 0.00 -1.46 0.00 0.00 37.83 35.84 2ksd s LYS 17 CO 0.58 -0.60 0.00 1.28 0.16 0.00 0.00 175.35 176.78 2ksd n LEU 18 N -0.36 0.00 -0.03 5.43 4.32 -1.26 -4.68 117.00 120.41 2ksd n LEU 18 Ca -0.02 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.96 2ksd n LEU 18 Cb 0.62 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.35 2ksd n LEU 18 CO 0.24 -0.07 -0.75 0.61 -1.22 0.00 0.00 177.39 176.19 2ksd n GLY 19 N 1.39 -0.47 2.66 -0.72 0.00 -1.23 -4.03 105.19 102.78 2ksd n GLY 19 Ca 0.00 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.20 4.71 0.01 0.99 -0.00 -1.26 -3.76 117.00 115.50 2ksd n LEU 20 Ca -0.11 -2.83 0.00 0.00 -0.00 0.00 0.00 56.01 53.07 2ksd n LEU 20 Cb 0.64 -1.08 0.00 0.00 -0.00 0.00 0.00 43.42 42.99 2ksd n LEU 20 CO 0.21 0.49 -0.24 0.55 -0.00 0.00 0.00 177.39 178.40 2ksd n VAL 21 N 4.36 0.10 -3.32 1.47 3.14 -1.26 -5.05 118.33 117.76 2ksd n VAL 21 Ca 0.43 0.03 -0.10 0.00 -2.96 0.00 0.00 64.34 61.75 2ksd n VAL 21 Cb 0.14 -1.06 -0.07 0.00 -1.06 0.00 0.00 33.84 31.79 2ksd n VAL 21 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2ksd s ARG 22 N -2.00 0.39 -0.61 1.45 1.81 -1.25 -4.99 118.95 113.75 2ksd s ARG 22 Ca 0.00 0.20 -0.10 0.00 -1.72 0.00 0.00 55.73 54.11 2ksd s ARG 22 Cb 0.00 -0.38 0.01 0.00 -0.45 0.00 0.00 34.95 34.13 2ksd s ARG 22 CO 0.00 -0.94 0.38 1.97 -0.68 0.00 0.00 175.30 176.03 2ksd n PHE 23 N 5.35 -1.03 -2.50 -0.53 1.16 -1.26 -4.91 117.46 113.74 2ksd n PHE 23 Ca -0.01 0.28 0.00 0.00 -1.87 0.00 0.00 57.45 55.85 2ksd n PHE 23 Cb 0.49 -1.65 0.00 0.00 -1.61 0.00 0.00 39.48 36.71 2ksd n PHE 23 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2ksd n SER 24 N -1.16 0.00 -1.92 5.98 2.88 -1.25 -5.06 113.62 113.10 2ksd n SER 24 Ca -0.14 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.40 2ksd n SER 24 Cb 0.38 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 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 0.00 -0.43 -0.04 -1.46 1.56 -1.25 -4.80 117.12 110.70 2ksd n MET 25 Ca 0.00 0.81 -0.15 0.00 -0.27 0.00 0.00 57.70 58.09 2ksd n MET 25 Cb 0.00 -2.67 -0.12 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 0.22 0.12 -1.03 -0.89 3.38 -1.97 -3.32 115.31 111.81 2ksd h LEU 26 Ca 0.00 -0.88 0.30 0.00 0.09 0.00 0.00 57.88 57.39 2ksd h LEU 26 Cb 0.84 -0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.41 2ksd h LEU 26 CO 0.08 0.98 0.59 0.25 0.09 0.00 0.00 178.44 180.43 2ksd h LEU 27 N -0.73 0.56 -0.89 1.67 7.12 -2.00 0.65 115.31 121.68 2ksd h LEU 27 Ca -0.02 0.17 0.24 0.00 0.13 0.00 0.00 57.88 58.39 2ksd h LEU 27 Cb 1.02 0.10 -0.14 0.00 -0.53 0.00 0.00 40.66 41.10 2ksd h LEU 27 CO 0.03 -0.05 0.28 0.00 -0.13 0.00 0.00 178.44 178.58 2ksd h ALA 28 N 1.79 1.35 -0.93 1.25 0.00 -1.97 0.28 119.26 121.03 2ksd h ALA 28 Ca 0.70 0.21 0.20 0.00 0.00 0.00 0.00 54.91 56.02 2ksd h ALA 28 Cb 1.55 0.28 -0.11 0.00 0.00 0.00 0.00 17.79 19.51 2ksd h ALA 28 CO -0.54 -0.46 0.50 1.25 0.00 0.00 0.00 179.25 179.99 2ksd h LEU 29 N 0.24 0.56 -1.17 0.00 6.46 -1.06 0.40 115.31 120.74 2ksd h LEU 29 Ca 0.57 0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 58.45 2ksd h LEU 29 Cb 1.15 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 41.08 2ksd h LEU 29 CO -0.63 0.15 0.48 0.00 -0.62 0.00 0.00 178.44 177.82 2ksd h ALA 30 N 1.65 1.39 -0.38 1.25 0.00 -0.58 0.15 119.26 122.74 2ksd h ALA 30 Ca 0.55 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.32 2ksd h ALA 30 Cb 0.94 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2ksd h ALA 30 CO -0.44 0.54 -0.03 -0.07 0.00 0.00 0.00 179.25 179.25 2ksd h LEU 31 N 1.07 0.69 0.37 0.00 3.38 -0.18 0.28 115.31 120.93 2ksd h LEU 31 Ca 0.28 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2ksd h LEU 31 Cb -0.07 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2ksd h LEU 31 CO -0.06 0.86 -0.18 0.58 0.09 0.00 0.00 178.44 179.73 2ksd h VAL 32 N 0.52 0.64 -0.10 1.22 2.07 -0.39 0.40 116.25 120.59 2ksd h VAL 32 Ca 0.10 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.59 2ksd h VAL 32 Cb 0.52 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2ksd h VAL 32 CO 0.03 0.01 -0.03 0.58 0.02 0.00 0.00 177.57 178.18 2ksd h VAL 33 N -0.53 0.90 -0.24 2.57 2.07 -0.68 0.12 116.25 120.46 2ksd h VAL 33 Ca -0.05 -0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.51 2ksd h VAL 33 Cb 0.40 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 2ksd h VAL 33 CO 0.08 0.00 -0.04 0.25 0.02 0.00 0.00 177.57 177.89 2ksd h LEU 34 N 0.00 -0.18 -0.50 2.57 5.85 -0.30 0.12 115.31 122.88 2ksd h LEU 34 Ca 0.05 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.90 2ksd h LEU 34 Cb 0.08 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 2ksd h LEU 34 CO -0.11 -0.06 0.21 0.00 -0.34 0.00 0.00 178.44 178.14 2ksd h ALA 35 N 1.23 0.63 0.01 1.25 0.00 0.19 0.27 119.26 122.83 2ksd h ALA 35 Ca 0.11 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.09 2ksd h ALA 35 Cb 0.17 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2ksd h ALA 35 CO -0.23 -0.17 -0.10 0.82 0.00 0.00 0.00 179.25 179.58 2ksd h ILE 36 N 0.41 0.76 -0.04 0.00 2.04 0.03 0.31 117.51 121.02 2ksd h ILE 36 Ca 0.23 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.12 2ksd h ILE 36 Cb 0.21 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2ksd h ILE 36 CO -0.21 0.00 -0.09 0.58 0.00 0.00 0.00 178.15 178.43 2ksd h VAL 37 N -0.17 0.75 -0.27 1.67 2.07 -0.18 0.11 116.25 120.22 2ksd h VAL 37 Ca 0.03 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.60 2ksd h VAL 37 Cb 0.21 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 2ksd h VAL 37 CO -0.09 0.00 -0.02 0.58 0.02 0.00 0.00 177.57 178.06 2ksd h VAL 38 N -0.14 0.78 -0.72 2.57 2.07 -0.20 0.12 116.25 120.73 2ksd h VAL 38 Ca 0.05 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.62 2ksd h VAL 38 Cb 0.21 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 2ksd h VAL 38 CO -0.12 0.01 0.41 1.56 0.02 0.00 0.00 177.57 179.45 2ksd h GLN 39 N 0.06 0.71 0.10 1.57 4.20 0.02 0.35 115.11 122.13 2ksd h GLN 39 Ca 0.13 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 2ksd h GLN 39 Cb 0.18 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2ksd h GLN 39 CO -0.24 0.47 -0.05 1.98 -0.67 0.00 0.00 178.83 180.32 2ksd h MET 40 N 0.73 -0.13 0.22 1.46 4.05 0.16 0.32 114.93 121.73 2ksd h MET 40 Ca 0.33 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.76 2ksd h MET 40 Cb 0.23 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 2ksd h MET 40 CO -0.20 -0.05 -0.20 0.00 0.23 0.00 0.00 176.91 176.69 2ksd h ALA 41 N 0.71 -0.41 -0.50 0.39 0.00 -0.20 0.15 119.26 119.40 2ksd h ALA 41 Ca -0.01 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.91 2ksd h ALA 41 Cb 0.15 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 2ksd h ALA 41 CO 0.02 -0.76 0.14 0.28 0.00 0.00 0.00 179.25 178.94 2ksd h VAL 42 N -0.44 0.77 -0.45 0.00 2.07 -0.22 0.21 116.25 118.19 2ksd h VAL 42 Ca -0.00 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.44 2ksd h VAL 42 Cb 0.41 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2ksd h VAL 42 CO -0.04 0.05 0.25 0.74 0.02 0.00 0.00 177.57 178.59 2ksd h THR 43 N 0.30 1.01 0.03 2.57 2.02 0.02 0.36 112.91 119.21 2ksd h THR 43 Ca 0.25 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 2ksd h THR 43 Cb 0.30 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 2ksd h THR 43 CO -0.29 0.09 -0.01 -0.03 0.37 0.00 0.00 175.52 175.65 2ksd h MET 44 N 0.49 -0.04 -0.01 6.66 4.05 0.29 -3.06 114.93 123.32 2ksd h MET 44 Ca 0.19 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.62 2ksd h MET 44 Cb 0.06 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 2ksd h MET 44 CO -0.11 0.01 -0.03 0.28 0.23 0.00 0.00 176.91 177.30 2ksd h VAL 45 N -0.08 0.93 -0.04 -5.77 2.07 -0.29 -3.24 116.25 109.83 2ksd h VAL 45 Ca -0.00 0.00 -0.69 0.00 0.82 0.00 0.00 66.70 66.82 2ksd h VAL 45 Cb 0.07 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 2ksd h VAL 45 CO 0.01 0.00 2.93 -0.11 0.02 0.00 0.00 177.57 180.41 2ksd n LEU 46 N -5.13 6.24 -3.44 2.57 0.00 0.12 -4.86 117.00 112.50 2ksd n LEU 46 Ca -0.06 -3.89 -0.35 0.00 0.00 0.00 0.00 56.01 51.71 2ksd n LEU 46 Cb 0.07 -1.56 -0.06 0.00 0.00 0.00 0.00 43.42 41.87 2ksd n LEU 46 CO 0.31 0.77 1.88 1.41 0.00 0.00 0.00 177.39 181.76 2ksd n HIS 47 N 6.52 1.11 -3.60 1.96 8.25 -1.23 -4.82 115.22 123.41 2ksd n HIS 47 Ca 0.51 -1.37 -0.40 0.00 -0.26 0.00 0.00 57.72 56.21 2ksd n HIS 47 Cb 0.40 -1.34 -0.09 0.00 1.12 0.00 0.00 29.99 30.07 2ksd n HIS 47 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2ksd s GLY 48 N 5.21 2.01 -0.35 -1.41 0.00 -1.26 -5.05 107.32 106.47 2ksd s GLY 48 Ca 0.51 -2.43 -0.29 0.00 0.00 0.00 0.00 44.72 42.51 2ksd s GLY 48 CO 0.14 1.06 1.60 1.20 0.00 0.00 0.00 173.10 177.10 2ksd s GLN 49 N 1.34 3.51 0.02 2.90 -0.21 -1.26 -4.71 119.66 121.26 2ksd s GLN 49 Ca 0.05 1.26 0.00 0.00 0.02 0.00 0.00 55.36 56.69 2ksd s GLN 49 Cb -0.25 -4.10 0.00 0.00 1.00 0.00 0.00 33.01 29.67 2ksd s GLN 49 CO -0.01 -1.64 0.00 0.28 -2.12 0.00 0.00 175.29 171.81 2ksd n VAL 50 N 7.12 0.00 0.14 1.09 0.31 -1.26 -5.11 118.33 120.62 2ksd n VAL 50 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 2ksd n VAL 50 Cb 0.47 -0.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 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 -2.57 0.00 -2.68 5.55 2.13 -1.26 -5.09 120.64 116.71 2ksd n GLU 51 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 2ksd n GLU 51 Cb 0.00 0.00 0.03 0.00 0.27 0.00 0.00 31.44 31.74 2ksd n GLU 51 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2ksd s SER 52 N -1.96 -0.31 -1.54 4.31 0.01 -1.26 -5.00 113.70 107.95 2ksd s SER 52 Ca 0.00 -0.36 -0.01 0.00 1.31 0.00 0.00 55.95 56.90 2ksd s SER 52 Cb 0.00 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.64 2ksd s SER 52 CO 0.00 -0.01 0.02 0.00 0.41 0.00 0.00 173.24 173.66 2ksd n ILE 53 N 2.69 -1.10 -3.64 1.44 3.06 -1.26 -1.13 119.36 119.42 2ksd n ILE 53 Ca 0.11 -0.50 -0.25 0.00 -2.50 0.00 0.00 62.75 59.61 2ksd n ILE 53 Cb 0.65 -1.08 0.04 0.00 0.54 0.00 0.00 39.64 39.78 2ksd n ILE 53 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 2ksd n ASP 54 N -2.88 -3.54 -0.08 9.51 -0.08 -1.26 -4.93 116.55 113.29 2ksd n ASP 54 Ca -0.33 -0.89 -0.06 0.00 -1.51 0.00 0.00 54.79 51.99 2ksd n ASP 54 Cb 0.70 -3.89 -0.14 0.00 2.34 0.00 0.00 41.12 40.12 2ksd n ASP 54 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 2ksd n VAL 55 N -4.08 1.06 -3.68 5.18 3.14 -0.28 -5.05 118.33 114.62 2ksd n VAL 55 Ca -0.19 -0.71 -0.25 0.00 -2.96 0.00 0.00 64.34 60.23 2ksd n VAL 55 Cb 0.64 -0.45 0.01 0.00 -1.06 0.00 0.00 33.84 32.97 2ksd n VAL 55 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2ksd n ILE 56 N -2.59 -4.04 0.00 1.55 0.13 -1.26 -4.34 119.36 108.81 2ksd n ILE 56 Ca -0.26 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.40 2ksd n ILE 56 Cb 1.00 -3.39 0.00 0.00 -0.84 0.00 0.00 39.64 36.42 2ksd n ILE 56 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2ksd n ARG 57 N -2.10 0.00 0.29 9.51 3.00 -1.26 -4.36 116.66 121.75 2ksd n ARG 57 Ca -0.25 0.00 -0.17 0.00 -0.01 0.00 0.00 57.85 57.42 2ksd n ARG 57 Cb 0.68 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 33.05 2ksd n ARG 57 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2ksd h SER 58 N 0.00 -0.90 -1.06 0.55 4.64 -2.02 -2.63 113.55 112.13 2ksd h SER 58 Ca 0.00 0.06 0.30 0.00 -0.47 0.00 0.00 61.79 61.68 2ksd h SER 58 Cb 0.00 0.28 -0.12 0.00 -0.31 0.00 0.00 62.40 62.25 2ksd h SER 58 CO 0.00 -0.53 0.66 0.40 -0.87 0.00 0.00 176.83 176.49 2ksd h ILE 59 N -0.83 0.43 -0.95 0.95 2.04 -1.93 0.27 117.51 117.49 2ksd h ILE 59 Ca -0.05 -0.13 0.16 0.00 1.00 0.00 0.00 64.86 65.84 2ksd h ILE 59 Cb 0.69 0.01 -0.08 0.00 -0.74 0.00 0.00 36.82 36.70 2ksd h ILE 59 CO 0.03 0.07 0.60 0.15 0.00 0.00 0.00 178.15 179.00 2ksd h PHE 60 N 0.39 0.89 -1.12 1.37 3.57 -1.66 0.10 116.94 120.48 2ksd h PHE 60 Ca 0.67 0.03 0.32 0.00 3.53 0.00 0.00 57.97 62.51 2ksd h PHE 60 Cb 1.62 -0.28 -0.11 0.00 2.79 0.00 0.00 35.95 39.98 2ksd h PHE 60 CO -0.01 0.28 0.72 0.35 -2.23 0.00 0.00 178.31 177.42 2ksd h PHE 61 N 0.71 0.62 -0.84 0.41 3.04 -0.51 0.19 116.94 120.57 2ksd h PHE 61 Ca 0.50 0.02 0.20 0.00 3.98 0.00 0.00 57.97 62.67 2ksd h PHE 61 Cb 0.82 -0.17 -0.12 0.00 2.56 0.00 0.00 35.95 39.04 2ksd h PHE 61 CO -0.00 -0.03 0.29 0.78 -2.02 0.00 0.00 178.31 177.32 2ksd h GLY 62 N 0.30 1.33 0.99 2.40 0.00 -1.11 0.48 103.07 107.45 2ksd h GLY 62 Ca 0.67 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.94 2ksd h GLY 62 CO -0.34 -0.26 0.58 1.41 0.00 0.00 0.00 176.54 177.92 2ksd h LEU 63 N 0.32 0.94 -2.44 3.11 4.07 -0.78 0.42 115.31 120.95 2ksd h LEU 63 Ca 0.51 -0.01 0.01 0.00 0.08 0.00 0.00 57.88 58.47 2ksd h LEU 63 Cb 0.95 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.48 2ksd h LEU 63 CO -0.55 0.64 0.03 0.25 -1.08 0.00 0.00 178.44 177.73 2ksd h LEU 64 N 1.09 0.00 -2.48 1.67 5.85 -0.09 -1.22 115.31 120.13 2ksd h LEU 64 Ca 0.35 0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.08 2ksd h LEU 64 Cb 0.05 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 2ksd h LEU 64 CO -0.11 0.00 0.04 -0.29 -0.34 0.00 0.00 178.44 177.74 2ksd h ILE 65 N 0.00 0.45 0.37 4.05 6.09 -0.56 -0.99 117.51 126.92 2ksd h ILE 65 Ca 0.01 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.48 2ksd h ILE 65 Cb 0.06 0.96 0.00 0.00 0.47 0.00 0.00 36.82 38.32 2ksd h ILE 65 CO -0.00 0.00 -0.18 0.74 -3.07 0.00 0.00 178.15 175.64 2ksd h THR 66 N 0.00 0.00 -0.84 2.19 2.02 -1.34 0.49 112.91 115.43 2ksd h THR 66 Ca 0.02 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2ksd h THR 66 Cb 0.10 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.47 2ksd h THR 66 CO -0.00 0.00 0.47 1.55 0.37 0.00 0.00 175.52 177.91 2ksd h PRO 67 N -0.55 1.16 0.02 6.66 0.13 -1.72 -1.00 132.00 136.70 2ksd h PRO 67 Ca -0.05 -0.13 0.01 0.00 -0.87 0.00 0.00 66.00 64.96 2ksd h PRO 67 Cb 0.38 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.27 2ksd h PRO 67 CO 0.08 0.84 -0.05 2.35 -0.23 0.00 0.00 178.00 181.00 2ksd h TRP 68 N 1.16 -0.12 -0.67 1.56 2.91 -1.21 0.19 115.95 119.77 2ksd h TRP 68 Ca 0.30 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.33 2ksd h TRP 68 Cb 0.02 0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 28.68 2ksd h TRP 68 CO 0.00 -0.08 0.43 0.00 -1.03 0.00 0.00 178.44 177.77 2ksd h ALA 69 N 0.88 0.86 0.85 2.65 0.00 0.24 0.46 119.26 125.20 2ksd h ALA 69 Ca 0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2ksd h ALA 69 Cb 0.11 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.66 2ksd h ALA 69 CO -0.04 0.24 -0.41 0.28 0.00 0.00 0.00 179.25 179.32 2ksd h VAL 70 N 0.87 0.11 -0.45 0.00 2.07 -0.79 0.42 116.25 118.48 2ksd h VAL 70 Ca 0.26 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.74 2ksd h VAL 70 Cb -0.05 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 29.80 2ksd h VAL 70 CO -0.08 0.00 0.21 1.88 0.02 0.00 0.00 177.57 179.60 2ksd h TYR 71 N -1.21 0.38 0.30 1.57 -1.99 -0.52 -1.18 116.97 114.31 2ksd h TYR 71 Ca -0.12 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.62 2ksd h TYR 71 Cb 0.88 -0.10 -0.00 0.00 2.00 0.00 0.00 36.73 39.51 2ksd h TYR 71 CO -0.01 0.18 -0.17 0.35 -0.00 0.00 0.00 178.16 178.51 2ksd h PHE 72 N 0.41 -0.45 -0.60 4.88 3.57 -0.03 -0.63 116.94 124.09 2ksd h PHE 72 Ca 0.20 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.82 2ksd h PHE 72 Cb 0.14 0.16 -0.10 0.00 2.79 0.00 0.00 35.95 38.94 2ksd h PHE 72 CO -0.12 -0.27 0.01 -0.07 -2.23 0.00 0.00 178.31 175.63 2ksd h LEU 73 N -0.45 -0.24 -0.16 0.59 4.07 0.14 0.46 115.31 119.72 2ksd h LEU 73 Ca -0.03 0.14 0.04 0.00 0.08 0.00 0.00 57.88 58.11 2ksd h LEU 73 Cb 0.37 0.25 -0.04 0.00 1.08 0.00 0.00 40.66 42.31 2ksd h LEU 73 CO 0.04 -0.10 -0.11 -1.28 -1.08 0.00 0.00 178.44 175.91 2ksd h SER 74 N 0.13 -0.37 -0.22 -0.43 0.87 -0.89 0.44 113.55 113.09 2ksd h SER 74 Ca 0.31 0.08 0.04 0.00 -1.23 0.00 0.00 61.79 60.99 2ksd h SER 74 Cb 0.50 0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.61 2ksd h SER 74 CO -0.50 -0.15 -0.03 0.58 -0.53 0.00 0.00 176.83 176.19 2ksd h VAL 75 N -0.12 0.80 -0.99 2.23 2.07 0.59 -0.06 116.25 120.78 2ksd h VAL 75 Ca 0.10 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.68 2ksd h VAL 75 Cb 0.26 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 2ksd h VAL 75 CO -0.24 0.00 0.64 0.58 0.02 0.00 0.00 177.57 178.58 2ksd h VAL 76 N 0.03 1.07 -0.51 2.57 2.07 0.52 1.18 116.25 123.18 2ksd h VAL 76 Ca 0.11 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 2ksd h VAL 76 Cb 0.15 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 2ksd h VAL 76 CO -0.21 0.21 0.12 0.58 0.02 0.00 0.00 177.57 178.29 2ksd h VAL 77 N 1.13 1.22 0.14 2.57 2.07 0.10 -2.93 116.25 120.56 2ksd h VAL 77 Ca 0.43 -0.80 -0.31 0.00 0.82 0.00 0.00 66.70 66.85 2ksd h VAL 77 Cb 0.21 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2ksd h VAL 77 CO -0.18 0.29 -1.48 -0.08 0.02 0.00 0.00 177.57 176.15 2ksd h GLU 78 N 0.76 0.30 -5.59 1.57 4.81 0.40 -3.30 114.58 113.52 2ksd h GLU 78 Ca 0.17 -0.51 -0.61 0.00 -0.13 0.00 0.00 59.36 58.28 2ksd h GLU 78 Cb 0.29 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 2ksd h GLU 78 CO -0.00 1.19 1.54 1.04 -0.73 0.00 0.00 179.01 182.05 2ksd n GLN 79 N -3.51 0.43 -0.83 1.92 1.13 0.39 -3.49 117.38 113.42 2ksd n GLN 79 Ca -0.15 0.08 -0.29 0.00 -1.94 0.00 0.00 57.00 54.69 2ksd n GLN 79 Cb 1.05 -2.02 -0.03 0.00 0.11 0.00 0.00 30.24 29.34 2ksd n GLN 79 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2ksd n LEU 80 N 10.34 4.15 -4.85 1.08 4.77 -1.26 -4.77 117.00 126.47 2ksd n LEU 80 Ca 0.53 -2.72 -0.35 0.00 -0.03 0.00 0.00 56.01 53.44 2ksd n LEU 80 Cb 0.14 -1.04 -0.06 0.00 -2.33 0.00 0.00 43.42 40.12 2ksd n LEU 80 CO 0.85 0.04 -0.20 -1.61 -1.33 0.00 0.00 177.39 175.14 2ksd s GLU 81 N 4.22 3.33 0.00 3.23 2.02 -1.26 -4.72 118.70 125.52 2ksd s GLU 81 Ca 0.44 -0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.16 2ksd s GLU 81 Cb 0.11 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.27 2ksd s GLU 81 CO 0.04 0.72 0.00 0.39 0.02 0.00 0.00 175.26 176.43 2ksd n GLU 82 N 1.61 0.00 -4.04 1.61 4.71 -1.26 -3.52 120.64 119.75 2ksd n GLU 82 Ca -0.16 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.67 2ksd n GLU 82 Cb 0.54 0.00 -0.16 0.00 -1.01 0.00 0.00 31.44 30.81 2ksd n GLU 82 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2ksd s SER 83 N 0.00 3.28 -0.16 1.62 0.15 -1.26 -5.07 113.70 112.27 2ksd s SER 83 Ca 0.00 -0.79 -0.38 0.00 0.70 0.00 0.00 55.95 55.48 2ksd s SER 83 Cb 0.00 -1.32 -0.15 0.00 -1.71 0.00 0.00 66.02 62.84 2ksd s SER 83 CO 0.00 -0.09 1.72 -2.11 1.20 0.00 0.00 173.24 173.96 2ksd n ARG 84 N 4.66 1.48 0.00 5.44 0.00 -1.26 -4.45 116.66 122.52 2ksd n ARG 84 Ca -0.17 0.54 0.00 0.00 -0.00 0.00 0.00 57.85 58.22 2ksd n ARG 84 Cb 0.48 -2.27 0.00 0.00 -0.00 0.00 0.00 32.46 30.67 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 5.23 0.00 -2.89 2.89 -0.06 -1.26 -5.03 117.38 116.26 2ksd n GLN 85 Ca 0.24 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 55.15 2ksd n GLN 85 Cb 0.19 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.38 2ksd n GLN 85 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2ksd n ARG 86 N -1.90 -2.49 -3.11 3.69 0.63 -1.23 -5.00 116.66 107.26 2ksd n ARG 86 Ca 0.00 2.15 -0.24 0.00 -0.92 0.00 0.00 57.85 58.84 2ksd n ARG 86 Cb 0.00 -5.27 -0.05 0.00 0.45 0.00 0.00 32.46 27.60 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 -0.12 2.91 -3.94 6.15 7.94 -1.24 -4.98 117.00 123.72 2ksd n LEU 87 Ca 0.08 -5.36 -0.10 0.00 -1.11 0.00 0.00 56.01 49.52 2ksd n LEU 87 Cb 0.41 -0.09 -0.12 0.00 0.53 0.00 0.00 43.42 44.16 2ksd n LEU 87 CO 0.47 2.27 -0.34 -0.55 -1.11 0.00 0.00 177.39 178.13 2ksd s SER 88 N -2.81 0.16 0.00 1.96 0.15 -1.26 -4.77 113.70 107.12 2ksd s SER 88 Ca 0.44 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.75 2ksd s SER 88 Cb 0.27 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2ksd s SER 88 CO -0.10 -0.22 0.00 0.54 1.20 0.00 0.00 173.24 174.65