#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 2.32 -0.02 0.03 0.00 -1.26 -5.15 119.30 115.22 2ksd s MET 16 Ca 0.00 -1.88 0.04 0.00 0.00 0.00 0.00 55.69 53.86 2ksd s MET 16 Cb 0.00 -2.17 -0.01 0.00 0.00 0.00 0.00 34.83 32.65 2ksd s MET 16 CO 0.00 -0.48 -0.15 0.21 0.00 0.00 0.00 175.02 174.60 2ksd s LYS 17 N -4.22 1.31 0.09 3.16 2.20 -1.26 -5.14 119.74 115.88 2ksd s LYS 17 Ca 0.39 -0.53 -0.26 0.00 -0.36 0.00 0.00 55.97 55.21 2ksd s LYS 17 Cb -0.02 -1.23 0.08 0.00 -1.51 0.00 0.00 37.83 35.15 2ksd s LYS 17 CO 0.24 0.29 0.82 -0.48 -0.36 0.00 0.00 175.35 175.86 2ksd s LEU 18 N -0.23 -0.37 0.00 5.43 0.05 -1.26 -4.62 118.68 117.68 2ksd s LEU 18 Ca 0.03 -0.13 0.00 0.00 0.05 0.00 0.00 54.13 54.08 2ksd s LEU 18 Cb -0.07 2.25 0.00 0.00 -2.05 0.00 0.00 46.19 46.32 2ksd s LEU 18 CO -0.00 -0.82 0.00 0.61 -0.55 0.00 0.00 176.35 175.59 2ksd n GLY 19 N -0.34 0.93 3.09 -3.48 0.00 -1.26 -4.78 105.19 99.35 2ksd n GLY 19 Ca -0.10 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 2ksd n GLY 19 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2ksd n LEU 20 N 0.00 4.27 0.00 0.99 7.94 -1.26 -4.78 117.00 124.17 2ksd n LEU 20 Ca 0.00 -3.01 -0.05 0.00 -1.11 0.00 0.00 56.01 51.84 2ksd n LEU 20 Cb 0.00 -1.19 -0.01 0.00 0.53 0.00 0.00 43.42 42.75 2ksd n LEU 20 CO 0.00 -0.31 0.11 1.33 -1.11 0.00 0.00 177.39 177.41 2ksd n VAL 21 N 6.02 0.00 -0.07 1.96 0.24 -1.26 -4.89 118.33 120.33 2ksd n VAL 21 Ca 0.50 -0.60 -0.13 0.00 -2.04 0.00 0.00 64.34 62.06 2ksd n VAL 21 Cb 0.41 0.42 -0.04 0.00 -1.47 0.00 0.00 33.84 33.15 2ksd n VAL 21 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2ksd n ARG 22 N -0.22 0.36 -4.37 7.34 0.63 -1.26 -5.03 116.66 114.11 2ksd n ARG 22 Ca -0.01 0.15 -0.22 0.00 -0.92 0.00 0.00 57.85 56.86 2ksd n ARG 22 Cb 0.23 -1.12 -0.16 0.00 0.45 0.00 0.00 32.46 31.86 2ksd n ARG 22 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2ksd s PHE 23 N -2.45 1.04 0.23 -0.14 0.08 -1.26 -5.05 117.98 110.43 2ksd s PHE 23 Ca -0.22 -0.32 0.00 0.00 0.12 0.00 0.00 56.93 56.51 2ksd s PHE 23 Cb 0.06 -0.80 0.00 0.00 -0.57 0.00 0.00 43.02 41.71 2ksd s PHE 23 CO 0.30 -0.20 0.00 0.45 -0.10 0.00 0.00 175.22 175.67 2ksd n SER 24 N 3.77 -2.81 -3.74 1.36 2.88 -1.26 -4.54 113.62 109.28 2ksd n SER 24 Ca -0.23 0.53 -0.42 0.00 -1.33 0.00 0.00 58.87 57.42 2ksd n SER 24 Cb 0.52 -1.78 -0.00 0.00 -0.75 0.00 0.00 64.21 62.19 2ksd n SER 24 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2ksd n MET 25 N -2.84 3.16 -0.26 -1.46 2.81 -1.26 -4.73 117.12 112.53 2ksd n MET 25 Ca -0.03 -2.86 -0.05 0.00 -1.81 0.00 0.00 57.70 52.94 2ksd n MET 25 Cb 0.25 -3.14 0.06 0.00 -0.71 0.00 0.00 33.22 29.67 2ksd n MET 25 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2ksd h LEU 26 N 9.11 0.90 -1.09 4.03 5.85 -1.96 -2.82 115.31 129.32 2ksd h LEU 26 Ca 0.54 -0.08 0.38 0.00 0.84 0.00 0.00 57.88 59.56 2ksd h LEU 26 Cb 0.61 -0.23 -0.16 0.00 0.37 0.00 0.00 40.66 41.25 2ksd h LEU 26 CO 1.80 0.72 0.62 0.25 -0.34 0.00 0.00 178.44 181.49 2ksd h LEU 27 N 1.00 0.38 -1.20 2.25 6.46 -1.90 0.36 115.31 122.67 2ksd h LEU 27 Ca 0.26 0.21 0.27 0.00 -0.12 0.00 0.00 57.88 58.49 2ksd h LEU 27 Cb 0.01 0.19 -0.11 0.00 -0.73 0.00 0.00 40.66 40.02 2ksd h LEU 27 CO -0.04 -0.26 0.64 0.00 -0.62 0.00 0.00 178.44 178.16 2ksd h ALA 28 N 1.86 2.06 -1.01 1.25 0.00 -1.89 0.02 119.26 121.55 2ksd h ALA 28 Ca 0.80 0.10 0.28 0.00 0.00 0.00 0.00 54.91 56.08 2ksd h ALA 28 Cb 2.08 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 19.78 2ksd h ALA 28 CO -0.63 -0.52 0.59 1.25 0.00 0.00 0.00 179.25 179.94 2ksd h LEU 29 N 0.45 0.61 -0.90 0.00 5.85 -0.46 0.35 115.31 121.21 2ksd h LEU 29 Ca 0.63 0.15 0.06 0.00 0.84 0.00 0.00 57.88 59.57 2ksd h LEU 29 Cb 1.46 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.49 2ksd h LEU 29 CO -0.39 0.01 0.57 0.00 -0.34 0.00 0.00 178.44 178.29 2ksd h ALA 30 N 1.77 1.22 -0.20 1.25 0.00 -1.15 0.23 119.26 122.38 2ksd h ALA 30 Ca 0.68 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 55.36 2ksd h ALA 30 Cb 1.41 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.95 2ksd h ALA 30 CO -0.51 0.35 -0.71 -0.07 0.00 0.00 0.00 179.25 178.30 2ksd h LEU 31 N 1.05 0.96 -0.14 0.00 -0.00 -0.50 -0.73 115.31 115.95 2ksd h LEU 31 Ca 0.38 -0.60 0.02 0.00 -0.00 0.00 0.00 57.88 57.69 2ksd h LEU 31 Cb 0.13 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.49 2ksd h LEU 31 CO -0.16 1.40 -0.01 0.58 -0.00 0.00 0.00 178.44 180.24 2ksd h VAL 32 N 0.59 0.89 0.06 1.22 2.07 -0.30 0.44 116.25 121.22 2ksd h VAL 32 Ca -0.03 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2ksd h VAL 32 Cb 1.33 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 2ksd h VAL 32 CO 0.15 0.01 -0.03 0.58 0.02 0.00 0.00 177.57 178.29 2ksd h VAL 33 N 0.03 0.97 -0.62 2.57 2.07 -0.58 -0.47 116.25 120.23 2ksd h VAL 33 Ca 0.07 -0.11 0.09 0.00 0.82 0.00 0.00 66.70 67.57 2ksd h VAL 33 Cb 0.09 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 2ksd h VAL 33 CO -0.12 0.03 0.26 0.25 0.02 0.00 0.00 177.57 178.00 2ksd h LEU 34 N -0.13 0.30 -0.04 2.57 6.46 -0.77 0.33 115.31 124.03 2ksd h LEU 34 Ca -0.01 0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.83 2ksd h LEU 34 Cb 0.11 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 2ksd h LEU 34 CO 0.01 0.18 -0.04 0.00 -0.62 0.00 0.00 178.44 177.97 2ksd h ALA 35 N 1.40 -0.00 -0.63 1.25 0.00 0.19 0.33 119.26 121.80 2ksd h ALA 35 Ca 0.31 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.28 2ksd h ALA 35 Cb 0.34 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2ksd h ALA 35 CO -0.28 -0.52 0.36 0.82 0.00 0.00 0.00 179.25 179.64 2ksd h ILE 36 N -0.05 1.01 -0.02 0.00 2.04 -0.25 0.24 117.51 120.48 2ksd h ILE 36 Ca 0.03 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2ksd h ILE 36 Cb 0.10 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 2ksd h ILE 36 CO -0.07 0.13 0.00 0.58 0.00 0.00 0.00 178.15 178.78 2ksd h VAL 37 N 0.70 0.99 -0.30 1.67 2.07 0.21 0.27 116.25 121.87 2ksd h VAL 37 Ca 0.27 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.82 2ksd h VAL 37 Cb 0.11 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 2ksd h VAL 37 CO -0.14 0.00 0.11 0.58 0.02 0.00 0.00 177.57 178.14 2ksd h VAL 38 N 0.01 0.93 0.11 2.57 2.07 0.20 0.42 116.25 122.56 2ksd h VAL 38 Ca 0.01 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.46 2ksd h VAL 38 Cb 0.01 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2ksd h VAL 38 CO -0.01 0.05 -0.20 -0.61 0.02 0.00 0.00 177.57 176.81 2ksd h GLN 39 N 0.25 -0.36 -0.87 1.57 4.15 -0.23 0.14 115.11 119.75 2ksd h GLN 39 Ca 0.13 0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.64 2ksd h GLN 39 Cb 0.09 0.08 -0.06 0.00 0.21 0.00 0.00 27.48 27.80 2ksd h GLN 39 CO -0.13 -0.24 0.54 0.52 -1.93 0.00 0.00 178.83 177.59 2ksd h MET 40 N -0.38 0.94 -0.22 1.69 2.86 -0.10 -0.23 114.93 119.49 2ksd h MET 40 Ca 0.03 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2ksd h MET 40 Cb 0.40 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 2ksd h MET 40 CO -0.11 0.62 0.06 0.00 1.06 0.00 0.00 176.91 178.54 2ksd h ALA 41 N 1.42 0.23 -0.41 6.32 0.00 0.61 0.23 119.26 127.66 2ksd h ALA 41 Ca 0.39 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.38 2ksd h ALA 41 Cb 0.20 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2ksd h ALA 41 CO -0.18 -0.36 0.14 0.28 0.00 0.00 0.00 179.25 179.13 2ksd h VAL 42 N 0.16 0.88 -0.11 0.00 2.07 0.18 0.36 116.25 119.78 2ksd h VAL 42 Ca 0.10 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2ksd h VAL 42 Cb 0.08 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 2ksd h VAL 42 CO -0.11 0.06 -0.11 0.74 0.02 0.00 0.00 177.57 178.16 2ksd h THR 43 N 0.30 0.69 -0.71 2.57 2.02 -0.36 0.33 112.91 117.75 2ksd h THR 43 Ca 0.19 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.39 2ksd h THR 43 Cb 0.17 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 2ksd h THR 43 CO -0.19 0.00 0.46 -0.03 0.37 0.00 0.00 175.52 176.13 2ksd h MET 44 N -0.14 0.89 -0.62 6.66 4.05 0.06 0.83 114.93 126.67 2ksd h MET 44 Ca 0.08 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 2ksd h MET 44 Cb 0.25 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 30.82 2ksd h MET 44 CO -0.19 0.59 0.29 0.28 0.23 0.00 0.00 176.91 178.11 2ksd h VAL 45 N 0.92 1.22 0.24 -5.77 2.07 0.37 -3.27 116.25 112.03 2ksd h VAL 45 Ca 0.27 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2ksd h VAL 45 Cb -0.05 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2ksd h VAL 45 CO -0.08 0.25 -0.12 -0.07 0.02 0.00 0.00 177.57 177.57 2ksd h LEU 46 N 0.85 -0.27 -1.50 2.57 -0.00 0.14 -3.48 115.31 113.61 2ksd h LEU 46 Ca 0.21 -0.09 -0.44 0.00 -0.00 0.00 0.00 57.88 57.55 2ksd h LEU 46 Cb 0.13 0.07 0.02 0.00 -0.00 0.00 0.00 40.66 40.87 2ksd h LEU 46 CO -0.03 0.22 -0.81 1.41 -0.00 0.00 0.00 178.44 179.23 2ksd n HIS 47 N -4.99 -2.04 0.00 1.13 8.25 0.28 -4.74 115.22 113.11 2ksd n HIS 47 Ca -0.05 0.86 0.00 0.00 -0.26 0.00 0.00 57.72 58.27 2ksd n HIS 47 Cb 0.18 -4.21 0.00 0.00 1.12 0.00 0.00 29.99 27.08 2ksd n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ksd n GLY 48 N -1.65 -0.08 5.00 -1.41 0.00 -1.26 -5.02 105.19 100.77 2ksd n GLY 48 Ca -0.18 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.59 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 0.00 0.00 -3.63 1.61 0.00 -1.26 -4.37 117.38 109.73 2ksd n GLN 49 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.00 56.71 2ksd n GLN 49 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 30.24 30.09 2ksd n GLN 49 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2ksd s VAL 50 N 0.00 0.34 0.02 1.69 1.01 -1.26 -4.97 120.40 117.23 2ksd s VAL 50 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.98 2ksd s VAL 50 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 35.12 2ksd s VAL 50 CO 0.00 -0.68 0.00 -0.62 0.00 0.00 0.00 175.10 173.80 2ksd n GLU 51 N 5.08 0.00 -3.44 2.72 1.02 -1.26 -4.94 120.64 119.81 2ksd n GLU 51 Ca -0.04 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.83 2ksd n GLU 51 Cb 0.42 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.74 2ksd n GLU 51 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2ksd n SER 52 N -2.55 0.06 -3.28 1.62 3.41 -1.26 -5.11 113.62 106.52 2ksd n SER 52 Ca 0.00 -2.52 -0.16 0.00 -0.26 0.00 0.00 58.87 55.94 2ksd n SER 52 Cb 0.00 -0.59 -0.05 0.00 -0.26 0.00 0.00 64.21 63.31 2ksd n SER 52 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2ksd s ILE 53 N -0.26 0.00 0.06 -1.33 2.07 -1.26 -5.11 121.20 115.37 2ksd s ILE 53 Ca 0.32 -1.69 0.00 0.00 -1.41 0.00 0.00 60.65 57.87 2ksd s ILE 53 Cb 0.04 -2.61 0.00 0.00 0.13 0.00 0.00 42.46 40.02 2ksd s ILE 53 CO -0.19 0.00 0.00 -0.67 -1.91 0.00 0.00 174.94 172.17 2ksd n ASP 54 N -1.42 -4.37 -3.60 4.50 -0.08 -1.26 -4.10 116.55 106.22 2ksd n ASP 54 Ca 0.02 0.27 -0.41 0.00 -1.51 0.00 0.00 54.79 53.16 2ksd n ASP 54 Cb 0.62 -0.75 -0.01 0.00 2.34 0.00 0.00 41.12 43.32 2ksd n ASP 54 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2ksd n VAL 55 N -1.78 3.73 -0.12 5.18 0.31 -1.26 -4.45 118.33 119.94 2ksd n VAL 55 Ca 0.00 -2.88 -0.17 0.00 -0.01 0.00 0.00 64.34 61.28 2ksd n VAL 55 Cb 0.11 -2.61 -0.11 0.00 -0.91 0.00 0.00 33.84 30.32 2ksd n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ksd n ILE 56 N 4.61 1.40 -2.87 2.52 0.13 -1.26 -5.08 119.36 118.81 2ksd n ILE 56 Ca 0.60 -0.53 -0.09 0.00 -1.10 0.00 0.00 62.75 61.63 2ksd n ILE 56 Cb 0.34 -1.37 0.01 0.00 -0.84 0.00 0.00 39.64 37.78 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 -3.22 -2.36 -0.15 9.51 5.12 -1.26 -4.53 116.66 119.77 2ksd n ARG 57 Ca -0.43 2.10 0.03 0.00 -1.93 0.00 0.00 57.85 57.62 2ksd n ARG 57 Cb 0.96 -5.59 0.07 0.00 -1.16 0.00 0.00 32.46 26.74 2ksd n ARG 57 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2ksd n SER 58 N -0.32 -0.14 -0.43 0.55 2.88 -1.26 0.14 113.62 115.05 2ksd n SER 58 Ca 0.11 0.72 0.35 0.00 -1.33 0.00 0.00 58.87 58.72 2ksd n SER 58 Cb 0.47 -0.22 0.64 0.00 -0.75 0.00 0.00 64.21 64.34 2ksd n SER 58 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2ksd h ILE 59 N 0.00 0.22 -1.16 2.46 1.08 -2.05 0.32 117.51 118.38 2ksd h ILE 59 Ca 0.21 -0.05 0.33 0.00 -0.39 0.00 0.00 64.86 64.96 2ksd h ILE 59 Cb 0.33 0.07 -0.08 0.00 -3.07 0.00 0.00 36.82 34.07 2ksd h ILE 59 CO -0.43 0.03 0.78 0.15 -0.69 0.00 0.00 178.15 177.99 2ksd h PHE 60 N 0.14 0.40 -1.04 1.37 3.04 0.11 0.14 116.94 121.08 2ksd h PHE 60 Ca 0.76 0.01 0.32 0.00 3.98 0.00 0.00 57.97 63.04 2ksd h PHE 60 Cb 2.40 -0.11 -0.14 0.00 2.56 0.00 0.00 35.95 40.66 2ksd h PHE 60 CO -0.00 -0.00 0.62 0.35 -2.02 0.00 0.00 178.31 177.25 2ksd h PHE 61 N 0.20 0.87 -0.87 0.41 3.04 -0.55 0.21 116.94 120.25 2ksd h PHE 61 Ca 0.63 0.03 0.22 0.00 3.98 0.00 0.00 57.97 62.83 2ksd h PHE 61 Cb 2.00 -0.23 -0.13 0.00 2.56 0.00 0.00 35.95 40.15 2ksd h PHE 61 CO -0.00 -0.12 0.30 0.78 -2.02 0.00 0.00 178.31 177.25 2ksd h GLY 62 N 0.34 1.39 0.65 2.40 0.00 -0.93 0.48 103.07 107.41 2ksd h GLY 62 Ca 0.72 -0.09 0.08 0.00 0.00 0.00 0.00 47.33 48.03 2ksd h GLY 62 CO -0.53 -0.30 0.62 1.41 0.00 0.00 0.00 176.54 177.73 2ksd h LEU 63 N 0.30 0.96 -2.18 3.11 4.07 -0.77 0.11 115.31 120.91 2ksd h LEU 63 Ca 0.54 0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.56 2ksd h LEU 63 Cb 1.04 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.60 2ksd h LEU 63 CO -0.58 0.58 0.12 0.25 -1.08 0.00 0.00 178.44 177.73 2ksd h LEU 64 N 1.08 0.00 -2.03 1.67 5.85 -0.09 -1.13 115.31 120.66 2ksd h LEU 64 Ca 0.44 0.00 0.09 0.00 0.84 0.00 0.00 57.88 59.25 2ksd h LEU 64 Cb 0.26 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2ksd h LEU 64 CO -0.20 0.00 0.23 -0.29 -0.34 0.00 0.00 178.44 177.84 2ksd h ILE 65 N 0.00 0.79 0.33 4.05 6.09 -0.49 0.18 117.51 128.46 2ksd h ILE 65 Ca 0.06 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.54 2ksd h ILE 65 Cb 0.30 0.84 0.00 0.00 0.47 0.00 0.00 36.82 38.43 2ksd h ILE 65 CO -0.00 0.00 -0.16 0.74 -3.07 0.00 0.00 178.15 175.66 2ksd h THR 66 N 0.00 0.00 -0.78 2.19 2.02 -1.31 0.44 112.91 115.47 2ksd h THR 66 Ca 0.15 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.27 2ksd h THR 66 Cb 0.61 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 2ksd h THR 66 CO -0.00 0.00 0.35 1.55 0.37 0.00 0.00 175.52 177.79 2ksd h PRO 67 N -0.46 1.14 0.12 6.66 0.13 -1.69 -0.97 132.00 136.94 2ksd h PRO 67 Ca -0.04 -0.18 0.01 0.00 -0.87 0.00 0.00 66.00 64.91 2ksd h PRO 67 Cb 0.34 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.25 2ksd h PRO 67 CO 0.07 0.90 -0.16 2.35 -0.23 0.00 0.00 178.00 180.94 2ksd h TRP 68 N 1.12 -0.41 -0.67 1.56 2.91 -0.66 0.25 115.95 120.05 2ksd h TRP 68 Ca 0.27 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.29 2ksd h TRP 68 Cb 0.16 0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 28.94 2ksd h TRP 68 CO 0.01 -0.24 0.41 0.00 -1.03 0.00 0.00 178.44 177.60 2ksd h ALA 69 N 0.52 0.86 0.90 2.65 0.00 0.04 0.42 119.26 124.64 2ksd h ALA 69 Ca 0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2ksd h ALA 69 Cb 0.33 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2ksd h ALA 69 CO -0.07 0.33 -0.43 0.28 0.00 0.00 0.00 179.25 179.36 2ksd h VAL 70 N 0.92 0.08 -0.21 0.00 2.07 -0.80 0.48 116.25 118.78 2ksd h VAL 70 Ca 0.24 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.73 2ksd h VAL 70 Cb -0.04 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 2ksd h VAL 70 CO -0.05 0.00 0.07 1.88 0.02 0.00 0.00 177.57 179.50 2ksd h TYR 71 N -1.26 0.13 -0.11 1.57 0.05 -0.44 -1.02 116.97 115.89 2ksd h TYR 71 Ca -0.12 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.68 2ksd h TYR 71 Cb 0.93 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.63 2ksd h TYR 71 CO -0.00 0.06 0.02 0.35 -1.05 0.00 0.00 178.16 177.54 2ksd h PHE 72 N 0.17 0.04 -0.50 4.88 3.57 -0.14 -0.31 116.94 124.65 2ksd h PHE 72 Ca 0.09 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.69 2ksd h PHE 72 Cb 0.06 -0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.72 2ksd h PHE 72 CO -0.12 0.02 0.09 1.25 -2.23 0.00 0.00 178.31 177.31 2ksd h LEU 73 N 0.07 -0.03 -0.14 0.59 6.46 0.22 0.45 115.31 122.93 2ksd h LEU 73 Ca 0.05 0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.93 2ksd h LEU 73 Cb 0.04 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.09 2ksd h LEU 73 CO -0.06 0.01 0.01 -1.28 -0.62 0.00 0.00 178.44 176.49 2ksd h SER 74 N 0.22 -0.04 -0.39 1.25 0.87 -0.77 -0.28 113.55 114.40 2ksd h SER 74 Ca 0.25 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.88 2ksd h SER 74 Cb 0.35 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.33 2ksd h SER 74 CO -0.35 0.00 0.19 0.58 -0.53 0.00 0.00 176.83 176.72 2ksd h VAL 75 N 0.06 0.96 -0.91 2.23 2.07 -0.00 -0.30 116.25 120.35 2ksd h VAL 75 Ca 0.07 -0.13 0.11 0.00 0.82 0.00 0.00 66.70 67.57 2ksd h VAL 75 Cb 0.07 0.55 -0.08 0.00 -1.52 0.00 0.00 31.29 30.31 2ksd h VAL 75 CO -0.11 0.07 0.54 0.58 0.02 0.00 0.00 177.57 178.67 2ksd h VAL 76 N 0.38 0.90 -0.41 2.57 2.07 0.36 1.36 116.25 123.48 2ksd h VAL 76 Ca 0.17 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 2ksd h VAL 76 Cb 0.09 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.79 2ksd h VAL 76 CO -0.13 0.16 0.04 0.58 0.02 0.00 0.00 177.57 178.24 2ksd h VAL 77 N 0.87 1.25 -0.11 2.57 2.07 -0.12 -3.12 116.25 119.65 2ksd h VAL 77 Ca 0.45 -0.93 -0.20 0.00 0.82 0.00 0.00 66.70 66.84 2ksd h VAL 77 Cb 0.45 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2ksd h VAL 77 CO -0.27 0.32 -0.75 -0.08 0.02 0.00 0.00 177.57 176.81 2ksd h GLU 78 N 0.53 0.58 -4.70 1.57 4.81 0.20 -3.38 114.58 114.19 2ksd h GLU 78 Ca 0.12 -0.48 -0.61 0.00 -0.13 0.00 0.00 59.36 58.26 2ksd h GLU 78 Cb 0.42 0.10 0.08 0.00 0.63 0.00 0.00 28.75 29.98 2ksd h GLU 78 CO 0.01 1.10 1.89 0.94 -0.73 0.00 0.00 179.01 182.23 2ksd n GLN 79 N -3.88 0.92 0.36 1.92 0.00 0.45 -4.70 117.38 112.45 2ksd n GLN 79 Ca -0.06 -1.54 -0.18 0.00 -0.00 0.00 0.00 57.00 55.22 2ksd n GLN 79 Cb 0.73 -2.79 -0.09 0.00 0.00 0.00 0.00 30.24 28.08 2ksd n GLN 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2ksd h LEU 80 N 15.58 -1.12 -5.89 1.69 5.85 -1.79 -3.43 115.31 126.19 2ksd h LEU 80 Ca 0.35 0.07 -0.11 0.00 0.84 0.00 0.00 57.88 59.03 2ksd h LEU 80 Cb 0.69 0.34 -0.20 0.00 0.37 0.00 0.00 40.66 41.86 2ksd h LEU 80 CO 1.97 -0.65 -0.49 -0.70 -0.34 0.00 0.00 178.44 178.23 2ksd s GLU 81 N -5.97 0.84 0.10 1.25 2.12 -1.26 -3.98 118.70 111.80 2ksd s GLU 81 Ca -0.18 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 54.69 2ksd s GLU 81 Cb 0.04 -0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.41 2ksd s GLU 81 CO 0.61 -1.21 0.00 -1.91 -0.54 0.00 0.00 175.26 172.21 2ksd n GLU 82 N 4.17 -0.54 -0.53 4.30 2.13 -1.26 -5.09 120.64 123.81 2ksd n GLU 82 Ca 0.12 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.38 2ksd n GLU 82 Cb 0.56 -0.62 0.00 0.00 0.27 0.00 0.00 31.44 31.64 2ksd n GLU 82 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2ksd n SER 83 N -2.35 -3.22 -2.76 4.31 7.64 -1.26 -4.94 113.62 111.03 2ksd n SER 83 Ca -0.01 0.52 -0.12 0.00 1.01 0.00 0.00 58.87 60.27 2ksd n SER 83 Cb 0.11 -1.00 0.06 0.00 -1.01 0.00 0.00 64.21 62.37 2ksd n SER 83 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2ksd n ARG 84 N -1.39 -3.29 0.08 1.43 0.63 0.29 -4.73 116.66 109.68 2ksd n ARG 84 Ca 0.00 0.62 -0.17 0.00 -0.92 0.00 0.00 57.85 57.38 2ksd n ARG 84 Cb 0.07 -4.80 -0.14 0.00 0.45 0.00 0.00 32.46 28.04 2ksd n ARG 84 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2ksd h GLN 85 N -1.09 0.28 0.00 -0.14 7.50 -1.09 -3.42 115.11 117.15 2ksd h GLN 85 Ca -0.43 -0.48 -0.21 0.00 0.50 0.00 0.00 58.65 58.03 2ksd h GLN 85 Cb 1.24 0.18 -0.03 0.00 0.05 0.00 0.00 27.48 28.91 2ksd h GLN 85 CO 0.34 1.17 -1.54 -2.13 -1.50 0.00 0.00 178.83 175.17 2ksd n ARG 86 N -3.50 0.55 0.01 1.46 0.00 -1.26 -5.01 116.66 108.91 2ksd n ARG 86 Ca -0.14 0.33 0.00 0.00 -0.00 0.00 0.00 57.85 58.04 2ksd n ARG 86 Cb 1.04 -1.54 0.00 0.00 0.00 0.00 0.00 32.46 31.96 2ksd n ARG 86 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2ksd n LEU 87 N -4.40 -0.10 -0.08 6.15 7.94 -1.26 -4.97 117.00 120.27 2ksd n LEU 87 Ca -0.31 0.02 -0.17 0.00 -1.11 0.00 0.00 56.01 54.45 2ksd n LEU 87 Cb 0.64 0.49 -0.13 0.00 0.53 0.00 0.00 43.42 44.95 2ksd n LEU 87 CO 0.13 -0.48 -1.09 -1.20 -1.11 0.00 0.00 177.39 173.63 2ksd n SER 88 N -2.53 1.61 -0.06 1.96 7.64 -1.26 -4.88 113.62 116.09 2ksd n SER 88 Ca 0.00 0.03 0.01 0.00 1.01 0.00 0.00 58.87 59.92 2ksd n SER 88 Cb 0.00 -0.28 0.01 0.00 -1.01 0.00 0.00 64.21 62.92 2ksd n SER 88 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57