#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 1.64 -0.12 0.03 1.00 -1.26 -5.15 119.30 115.44 2ksd s MET 16 Ca 0.00 -1.93 0.02 0.00 0.00 0.00 0.00 55.69 53.78 2ksd s MET 16 Cb 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 34.83 34.23 2ksd s MET 16 CO 0.00 -0.29 -0.17 0.21 0.00 0.00 0.00 175.02 174.77 2ksd s LYS 17 N -3.89 2.45 0.00 2.03 2.47 -1.26 -5.00 119.74 116.54 2ksd s LYS 17 Ca 0.34 -0.64 0.00 0.00 -1.56 0.00 0.00 55.97 54.11 2ksd s LYS 17 Cb 0.07 -2.07 0.00 0.00 -1.46 0.00 0.00 37.83 34.37 2ksd s LYS 17 CO 0.15 -0.08 0.00 1.28 0.16 0.00 0.00 175.35 176.86 2ksd n LEU 18 N 4.25 0.00 -3.66 5.43 4.32 -1.26 -5.14 117.00 120.94 2ksd n LEU 18 Ca -0.19 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.72 2ksd n LEU 18 Cb 0.51 0.03 -0.08 0.00 -1.62 0.00 0.00 43.42 42.26 2ksd n LEU 18 CO 0.24 -0.39 0.23 -0.83 -1.22 0.00 0.00 177.39 175.43 2ksd s GLY 19 N -3.36 -0.53 0.08 -0.72 0.00 -1.26 -4.73 107.32 96.79 2ksd s GLY 19 Ca 0.00 2.09 0.00 0.00 0.00 0.00 0.00 44.72 46.81 2ksd s GLY 19 CO 0.00 2.18 0.00 1.47 0.00 0.00 0.00 173.10 176.75 2ksd n LEU 20 N 4.37 0.00 -1.14 0.66 -0.00 -1.26 -5.04 117.00 114.59 2ksd n LEU 20 Ca -0.21 0.36 0.00 0.00 -0.00 0.00 0.00 56.01 56.16 2ksd n LEU 20 Cb 0.57 -1.06 0.00 0.00 -0.00 0.00 0.00 43.42 42.93 2ksd n LEU 20 CO 0.02 -1.29 -0.21 0.52 -0.00 0.00 0.00 177.39 176.42 2ksd n VAL 21 N -1.87 -6.54 -0.80 1.47 0.31 -1.25 -4.77 118.33 104.87 2ksd n VAL 21 Ca 0.00 1.49 0.00 0.00 -0.01 0.00 0.00 64.34 65.83 2ksd n VAL 21 Cb 0.15 -3.35 -0.00 0.00 -0.91 0.00 0.00 33.84 29.73 2ksd n VAL 21 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2ksd n ARG 22 N 0.70 -2.08 -1.48 5.55 0.00 -1.26 -4.66 116.66 113.43 2ksd n ARG 22 Ca 0.00 1.62 -0.44 0.00 -0.00 0.00 0.00 57.85 59.03 2ksd n ARG 22 Cb 0.00 -2.04 -0.08 0.00 0.00 0.00 0.00 32.46 30.34 2ksd n ARG 22 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2ksd n PHE 23 N -2.13 1.22 0.03 -0.14 3.72 -1.26 -3.82 117.46 115.08 2ksd n PHE 23 Ca -0.00 0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.68 2ksd n PHE 23 Cb 0.25 -2.51 0.00 0.00 -0.94 0.00 0.00 39.48 36.28 2ksd n PHE 23 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2ksd n SER 24 N 11.76 -0.47 -3.76 4.37 7.64 -1.26 -5.11 113.62 126.79 2ksd n SER 24 Ca 0.48 0.49 -0.25 0.00 1.01 0.00 0.00 58.87 60.60 2ksd n SER 24 Cb 0.25 0.83 -0.17 0.00 -1.01 0.00 0.00 64.21 64.11 2ksd n SER 24 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2ksd s MET 25 N -1.88 0.66 -0.09 1.43 1.75 -1.25 -5.00 119.30 114.91 2ksd s MET 25 Ca 0.00 -0.14 0.05 0.00 -1.25 0.00 0.00 55.69 54.35 2ksd s MET 25 Cb 0.00 -1.51 -0.09 0.00 2.84 0.00 0.00 34.83 36.08 2ksd s MET 25 CO 0.00 -0.45 -0.02 1.47 -0.65 0.00 0.00 175.02 175.36 2ksd n LEU 26 N 5.10 1.25 -0.32 4.11 -0.00 -1.26 -3.87 117.00 122.00 2ksd n LEU 26 Ca -0.08 -0.02 0.23 0.00 -0.00 0.00 0.00 56.01 56.13 2ksd n LEU 26 Cb 0.49 -0.03 0.44 0.00 -0.00 0.00 0.00 43.42 44.31 2ksd n LEU 26 CO 0.12 0.40 0.99 -0.07 -0.00 0.00 0.00 177.39 178.82 2ksd h LEU 27 N 0.00 0.10 -0.99 1.47 -0.00 -1.94 0.98 115.31 114.93 2ksd h LEU 27 Ca -0.22 0.24 0.41 0.00 -0.00 0.00 0.00 57.88 58.30 2ksd h LEU 27 Cb 1.44 0.30 -0.18 0.00 -0.00 0.00 0.00 40.66 42.22 2ksd h LEU 27 CO -0.01 -0.31 0.50 0.00 -0.00 0.00 0.00 178.44 178.62 2ksd n ALA 28 N -2.56 0.98 -0.33 1.53 0.00 -1.26 0.08 120.51 118.94 2ksd n ALA 28 Ca 0.30 1.01 0.27 0.00 0.00 0.00 0.00 53.44 55.03 2ksd n ALA 28 Cb 1.00 -0.99 0.52 0.00 0.00 0.00 0.00 19.45 19.97 2ksd n ALA 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2ksd h LEU 29 N 0.00 0.43 -0.29 0.00 6.46 -1.14 0.48 115.31 121.26 2ksd h LEU 29 Ca 0.82 0.22 0.01 0.00 -0.12 0.00 0.00 57.88 58.81 2ksd h LEU 29 Cb 2.16 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 42.26 2ksd h LEU 29 CO -0.77 -0.26 0.17 0.00 -0.62 0.00 0.00 178.44 176.96 2ksd h ALA 30 N 1.91 0.36 -0.13 1.25 0.00 -0.57 0.32 119.26 122.41 2ksd h ALA 30 Ca 0.78 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.65 2ksd h ALA 30 Cb 1.90 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 2ksd h ALA 30 CO -0.67 -0.20 -0.03 1.25 0.00 0.00 0.00 179.25 179.59 2ksd h LEU 31 N 0.35 0.25 0.18 0.00 7.12 -0.28 -0.32 115.31 122.61 2ksd h LEU 31 Ca 0.11 -0.37 0.01 0.00 0.13 0.00 0.00 57.88 57.76 2ksd h LEU 31 Cb -0.01 -0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 40.02 2ksd h LEU 31 CO -0.05 0.56 -0.24 0.58 -0.13 0.00 0.00 178.44 179.16 2ksd h VAL 32 N -0.07 0.47 0.21 1.05 2.07 -0.82 0.28 116.25 119.43 2ksd h VAL 32 Ca 0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.56 2ksd h VAL 32 Cb 0.46 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2ksd h VAL 32 CO 0.01 0.00 -0.27 0.58 0.02 0.00 0.00 177.57 177.91 2ksd h VAL 33 N -0.48 0.42 -0.21 2.57 2.07 -0.37 0.15 116.25 120.40 2ksd h VAL 33 Ca 0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.59 2ksd h VAL 33 Cb 0.48 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 2ksd h VAL 33 CO -0.10 0.00 -0.15 -0.07 0.02 0.00 0.00 177.57 177.27 2ksd h LEU 34 N -0.53 -0.49 0.24 2.57 4.07 -0.88 0.25 115.31 120.53 2ksd h LEU 34 Ca 0.01 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.07 2ksd h LEU 34 Cb 0.52 0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.49 2ksd h LEU 34 CO -0.10 -0.19 -0.25 0.00 -1.08 0.00 0.00 178.44 176.82 2ksd h ALA 35 N 0.98 -0.51 0.08 1.53 0.00 -0.21 0.23 119.26 121.36 2ksd h ALA 35 Ca 0.12 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2ksd h ALA 35 Cb 0.33 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2ksd h ALA 35 CO -0.30 -0.82 -0.17 0.82 0.00 0.00 0.00 179.25 178.78 2ksd h ILE 36 N -0.52 0.60 0.42 0.00 1.08 -0.41 0.15 117.51 118.83 2ksd h ILE 36 Ca -0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 2ksd h ILE 36 Cb 0.49 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 34.83 2ksd h ILE 36 CO -0.06 0.00 -0.33 0.58 -0.69 0.00 0.00 178.15 177.65 2ksd h VAL 37 N -0.32 0.31 -0.20 1.67 2.07 -0.40 0.16 116.25 119.55 2ksd h VAL 37 Ca 0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.59 2ksd h VAL 37 Cb 0.35 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 2ksd h VAL 37 CO -0.11 0.00 -0.07 0.58 0.02 0.00 0.00 177.57 177.99 2ksd h VAL 38 N -0.75 0.74 0.23 2.57 2.07 -0.47 0.47 116.25 121.11 2ksd h VAL 38 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2ksd h VAL 38 Cb 0.65 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2ksd h VAL 38 CO -0.01 0.00 -0.20 1.56 0.02 0.00 0.00 177.57 178.94 2ksd h GLN 39 N -0.04 -0.44 -0.06 1.57 4.20 -0.58 0.25 115.11 120.02 2ksd h GLN 39 Ca 0.10 0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.88 2ksd h GLN 39 Cb 0.19 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 2ksd h GLN 39 CO -0.23 -0.29 -0.25 0.52 -0.67 0.00 0.00 178.83 177.92 2ksd h MET 40 N -0.45 -0.34 0.19 1.46 2.86 -0.44 0.30 114.93 118.52 2ksd h MET 40 Ca -0.01 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2ksd h MET 40 Cb 0.41 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 2ksd h MET 40 CO -0.03 -0.23 -0.20 0.00 1.06 0.00 0.00 176.91 177.52 2ksd h ALA 41 N 0.53 -0.39 0.31 6.32 0.00 -0.76 0.33 119.26 125.59 2ksd h ALA 41 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ksd h ALA 41 Cb 0.46 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2ksd h ALA 41 CO -0.26 -0.75 -0.37 0.28 0.00 0.00 0.00 179.25 178.15 2ksd h VAL 42 N -0.42 0.24 -0.75 0.00 2.07 -0.21 0.26 116.25 117.43 2ksd h VAL 42 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2ksd h VAL 42 Cb 0.40 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 2ksd h VAL 42 CO -0.05 0.00 0.47 0.74 0.02 0.00 0.00 177.57 178.75 2ksd h THR 43 N -0.73 1.10 -0.22 2.57 2.02 -0.35 0.35 112.91 117.65 2ksd h THR 43 Ca -0.01 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 2ksd h THR 43 Cb 0.68 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2ksd h THR 43 CO -0.10 0.17 0.11 -0.03 0.37 0.00 0.00 175.52 176.03 2ksd h MET 44 N 0.92 0.33 -0.44 6.66 4.05 -0.01 -3.07 114.93 123.36 2ksd h MET 44 Ca 0.30 -0.05 -0.14 0.00 -0.28 0.00 0.00 59.70 59.53 2ksd h MET 44 Cb 0.02 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 2ksd h MET 44 CO -0.11 0.34 -0.29 0.28 0.23 0.00 0.00 176.91 177.36 2ksd h VAL 45 N 0.23 1.27 -2.59 -5.77 2.07 -0.17 -3.43 116.25 107.86 2ksd h VAL 45 Ca 0.08 -1.46 -0.53 0.00 0.82 0.00 0.00 66.70 65.60 2ksd h VAL 45 Cb 0.13 1.24 0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2ksd h VAL 45 CO -0.01 0.50 1.08 -0.22 0.02 0.00 0.00 177.57 178.93 2ksd s LEU 46 N -8.98 4.38 0.03 2.57 0.20 0.12 -4.99 118.68 112.01 2ksd s LEU 46 Ca -0.11 2.51 -0.07 0.00 0.69 0.00 0.00 54.13 57.15 2ksd s LEU 46 Cb 0.12 -3.55 -0.00 0.00 -0.43 0.00 0.00 46.19 42.32 2ksd s LEU 46 CO 0.87 -0.94 0.14 -1.00 -0.29 0.00 0.00 176.35 175.13 2ksd s HIS 47 N 3.26 0.13 0.00 5.38 3.76 -1.26 -4.78 115.29 121.79 2ksd s HIS 47 Ca 0.78 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 55.31 2ksd s HIS 47 Cb -0.40 -0.09 0.00 0.00 1.11 0.00 0.00 32.58 33.20 2ksd s HIS 47 CO 0.34 -0.38 0.00 0.41 -0.85 0.00 0.00 174.74 174.26 2ksd n GLY 48 N 0.82 1.57 2.93 -2.22 0.00 -1.26 -4.81 105.19 102.23 2ksd n GLY 48 Ca -0.19 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 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 1.92 -3.71 1.61 7.27 -1.26 -4.54 117.38 118.67 2ksd n GLN 49 Ca 0.00 -1.95 -0.26 0.00 0.07 0.00 0.00 57.00 54.85 2ksd n GLN 49 Cb 0.00 -2.92 0.01 0.00 2.41 0.00 0.00 30.24 29.73 2ksd n GLN 49 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 2ksd n VAL 50 N 5.50 -3.74 -0.81 1.69 3.14 -1.26 -4.73 118.33 118.12 2ksd n VAL 50 Ca 0.50 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.61 2ksd n VAL 50 Cb 0.36 -3.22 -0.03 0.00 -1.06 0.00 0.00 33.84 29.89 2ksd n VAL 50 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2ksd n GLU 51 N -2.14 1.68 -3.19 1.45 0.00 -1.26 -4.27 120.64 112.91 2ksd n GLU 51 Ca -0.27 -1.50 -0.23 0.00 0.00 0.00 0.00 57.16 55.17 2ksd n GLU 51 Cb 0.69 -2.57 0.02 0.00 0.00 0.00 0.00 31.44 29.58 2ksd n GLU 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2ksd n SER 52 N 5.46 -5.04 -0.06 -1.84 7.64 -1.26 -4.88 113.62 113.63 2ksd n SER 52 Ca 0.43 -0.34 -0.14 0.00 1.01 0.00 0.00 58.87 59.83 2ksd n SER 52 Cb 0.22 -4.11 -0.14 0.00 -1.01 0.00 0.00 64.21 59.17 2ksd n SER 52 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2ksd n ILE 53 N -4.27 1.57 0.01 0.44 -6.64 -1.26 -4.50 119.36 104.70 2ksd n ILE 53 Ca -0.07 -0.73 -0.00 0.00 -1.77 0.00 0.00 62.75 60.18 2ksd n ILE 53 Cb 0.58 -1.13 -0.00 0.00 -1.44 0.00 0.00 39.64 37.65 2ksd n ILE 53 CO 0.00 0.00 0.00 -0.78 -1.77 0.00 0.00 176.55 174.00 2ksd h ASP 54 N 0.02 -0.03 0.00 7.28 3.58 -1.90 -3.37 116.42 122.00 2ksd h ASP 54 Ca -0.45 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.42 2ksd h ASP 54 Cb 2.06 0.01 0.02 0.00 1.72 0.00 0.00 39.33 43.13 2ksd h ASP 54 CO 0.03 0.06 2.93 1.33 -2.88 0.00 0.00 179.24 180.71 2ksd n VAL 55 N -2.50 2.92 -1.27 2.25 0.24 -1.26 -4.80 118.33 113.91 2ksd n VAL 55 Ca -0.00 -2.07 -0.37 0.00 -2.04 0.00 0.00 64.34 59.86 2ksd n VAL 55 Cb 0.01 -2.39 -0.02 0.00 -1.47 0.00 0.00 33.84 29.97 2ksd n VAL 55 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2ksd n ILE 56 N 4.70 3.28 -3.02 1.34 -5.35 -1.26 -4.64 119.36 114.41 2ksd n ILE 56 Ca 0.55 -2.28 -0.26 0.00 -0.27 0.00 0.00 62.75 60.49 2ksd n ILE 56 Cb 0.28 -2.46 -0.04 0.00 -1.74 0.00 0.00 39.64 35.67 2ksd n ILE 56 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2ksd n ARG 57 N 4.91 2.82 -0.06 6.28 0.63 -1.26 -4.92 116.66 125.07 2ksd n ARG 57 Ca 0.59 -4.61 -0.07 0.00 -0.92 0.00 0.00 57.85 52.84 2ksd n ARG 57 Cb 0.28 -2.15 -0.01 0.00 0.45 0.00 0.00 32.46 31.03 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 3.09 -0.49 -1.16 6.15 0.87 -1.99 -1.46 113.55 118.56 2ksd h SER 58 Ca 0.13 0.11 0.33 0.00 -1.23 0.00 0.00 61.79 61.13 2ksd h SER 58 Cb 0.59 0.26 -0.09 0.00 -0.44 0.00 0.00 62.40 62.72 2ksd h SER 58 CO 0.77 -0.19 0.77 0.16 -0.53 0.00 0.00 176.83 177.81 2ksd h ILE 59 N -0.12 0.40 -0.85 2.23 -2.65 -2.00 0.21 117.51 114.73 2ksd h ILE 59 Ca 0.14 -0.08 0.22 0.00 1.03 0.00 0.00 64.86 66.18 2ksd h ILE 59 Cb 0.34 0.15 -0.05 0.00 -2.05 0.00 0.00 36.82 35.21 2ksd h ILE 59 CO -0.34 0.04 0.59 0.15 0.03 0.00 0.00 178.15 178.63 2ksd h PHE 60 N 0.23 0.21 -1.10 0.16 3.57 -1.68 -0.76 116.94 117.57 2ksd h PHE 60 Ca 0.64 0.01 0.31 0.00 3.53 0.00 0.00 57.97 62.46 2ksd h PHE 60 Cb 1.96 -0.06 -0.10 0.00 2.79 0.00 0.00 35.95 40.54 2ksd h PHE 60 CO -0.00 0.05 0.71 0.35 -2.23 0.00 0.00 178.31 177.19 2ksd h PHE 61 N 0.16 0.61 -1.00 0.41 3.57 -0.70 0.11 116.94 120.10 2ksd h PHE 61 Ca 0.42 0.02 0.31 0.00 3.53 0.00 0.00 57.97 62.25 2ksd h PHE 61 Cb 1.41 -0.17 -0.14 0.00 2.79 0.00 0.00 35.95 39.83 2ksd h PHE 61 CO -0.00 -0.00 0.57 0.78 -2.23 0.00 0.00 178.31 177.42 2ksd h GLY 62 N 0.31 2.03 0.55 2.40 0.00 -1.33 0.32 103.07 107.36 2ksd h GLY 62 Ca 0.64 -0.25 0.10 0.00 0.00 0.00 0.00 47.33 47.82 2ksd h GLY 62 CO -0.32 -0.45 0.57 1.41 0.00 0.00 0.00 176.54 177.75 2ksd h LEU 63 N 0.37 0.85 -2.23 3.11 3.38 -1.18 0.19 115.31 119.79 2ksd h LEU 63 Ca 0.72 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.78 2ksd h LEU 63 Cb 1.59 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 2ksd h LEU 63 CO -0.59 0.48 0.23 -0.07 0.09 0.00 0.00 178.44 178.59 2ksd h LEU 64 N 0.95 0.00 -1.72 1.67 3.38 -0.50 -1.41 115.31 117.68 2ksd h LEU 64 Ca 0.44 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.62 2ksd h LEU 64 Cb 0.36 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 2ksd h LEU 64 CO -0.24 0.00 0.57 -0.29 0.09 0.00 0.00 178.44 178.58 2ksd h ILE 65 N 0.00 0.66 0.30 1.22 6.09 -0.98 0.29 117.51 125.09 2ksd h ILE 65 Ca 0.09 -0.08 -0.01 0.00 -1.37 0.00 0.00 64.86 63.48 2ksd h ILE 65 Cb 0.55 0.41 0.00 0.00 0.47 0.00 0.00 36.82 38.25 2ksd h ILE 65 CO -0.00 0.04 -0.15 0.74 -3.07 0.00 0.00 178.15 175.72 2ksd h THR 66 N 0.23 0.00 -0.93 2.19 2.02 -1.42 0.33 112.91 115.33 2ksd h THR 66 Ca 0.42 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.56 2ksd h THR 66 Cb 1.27 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.64 2ksd h THR 66 CO -0.10 0.00 0.62 1.55 0.37 0.00 0.00 175.52 177.96 2ksd h PRO 67 N -0.45 1.23 0.58 6.66 0.13 -1.67 -1.49 132.00 136.99 2ksd h PRO 67 Ca -0.04 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 2ksd h PRO 67 Cb 0.31 -0.28 -0.00 0.00 0.13 0.00 0.00 31.00 31.16 2ksd h PRO 67 CO 0.07 0.81 -0.35 -1.49 -0.23 0.00 0.00 178.00 176.81 2ksd h TRP 68 N 1.27 -0.93 -0.16 1.56 4.06 -0.45 -0.24 115.95 121.05 2ksd h TRP 68 Ca 0.34 -0.01 0.05 0.00 2.06 0.00 0.00 58.89 61.33 2ksd h TRP 68 Cb -0.15 0.33 -0.05 0.00 -1.00 0.00 0.00 29.16 28.29 2ksd h TRP 68 CO 0.00 -0.54 -0.17 0.00 -3.56 0.00 0.00 178.44 174.17 2ksd h ALA 69 N -0.54 -0.07 0.47 1.49 0.00 -0.11 0.58 119.26 121.09 2ksd h ALA 69 Ca -0.07 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2ksd h ALA 69 Cb 0.72 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2ksd h ALA 69 CO 0.08 -0.61 -0.50 0.28 0.00 0.00 0.00 179.25 178.49 2ksd h VAL 70 N -0.19 0.02 0.47 0.00 2.07 -1.16 0.40 116.25 117.85 2ksd h VAL 70 Ca 0.11 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 2ksd h VAL 70 Cb 0.35 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2ksd h VAL 70 CO -0.28 0.00 -0.22 1.88 0.02 0.00 0.00 177.57 178.96 2ksd h TYR 71 N -0.98 -0.58 -0.08 1.57 -1.99 -0.92 -1.18 116.97 112.81 2ksd h TYR 71 Ca -0.06 -0.01 0.04 0.00 2.00 0.00 0.00 58.73 60.70 2ksd h TYR 71 Cb 0.86 0.19 -0.05 0.00 2.00 0.00 0.00 36.73 39.74 2ksd h TYR 71 CO -0.27 -0.28 -0.21 0.35 -0.00 0.00 0.00 178.16 177.75 2ksd h PHE 72 N -0.81 -0.55 0.41 4.88 3.57 0.14 0.33 116.94 124.92 2ksd h PHE 72 Ca -0.06 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2ksd h PHE 72 Cb 0.56 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 2ksd h PHE 72 CO -0.01 -0.29 -0.34 1.25 -2.23 0.00 0.00 178.31 176.69 2ksd h LEU 73 N -0.29 -0.91 -0.04 0.59 6.46 -0.24 0.54 115.31 121.42 2ksd h LEU 73 Ca 0.08 0.07 0.03 0.00 -0.12 0.00 0.00 57.88 57.95 2ksd h LEU 73 Cb 0.41 0.29 -0.04 0.00 -0.73 0.00 0.00 40.66 40.59 2ksd h LEU 73 CO -0.25 -0.50 -0.21 0.28 -0.62 0.00 0.00 178.44 177.14 2ksd h SER 74 N -0.76 -0.63 0.71 1.25 0.02 -1.01 0.27 113.55 113.39 2ksd h SER 74 Ca -0.04 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 2ksd h SER 74 Cb 0.66 0.27 0.01 0.00 0.14 0.00 0.00 62.40 63.48 2ksd h SER 74 CO -0.02 -0.27 -0.34 0.58 -1.14 0.00 0.00 176.83 175.64 2ksd h VAL 75 N -0.32 0.00 -0.51 2.27 2.07 -0.23 -0.62 116.25 118.91 2ksd h VAL 75 Ca 0.07 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.60 2ksd h VAL 75 Cb 0.42 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.10 2ksd h VAL 75 CO -0.22 0.00 -0.06 0.58 0.02 0.00 0.00 177.57 177.89 2ksd h VAL 76 N -1.04 0.54 -0.52 2.57 2.07 0.10 0.23 116.25 120.19 2ksd h VAL 76 Ca -0.10 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.45 2ksd h VAL 76 Cb 0.73 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 2ksd h VAL 76 CO 0.16 0.01 0.26 0.58 0.02 0.00 0.00 177.57 178.60 2ksd h VAL 77 N 0.06 0.95 -0.88 2.57 2.07 -0.47 -1.62 116.25 118.92 2ksd h VAL 77 Ca 0.25 -0.18 -0.59 0.00 0.82 0.00 0.00 66.70 67.01 2ksd h VAL 77 Cb 0.39 0.40 -0.25 0.00 -1.52 0.00 0.00 31.29 30.31 2ksd h VAL 77 CO -0.48 0.09 0.76 -0.62 0.02 0.00 0.00 177.57 177.35 2ksd n GLU 78 N -4.88 2.46 -4.49 1.57 -0.58 -0.24 -4.93 120.64 109.55 2ksd n GLU 78 Ca 0.05 -2.83 -0.23 0.00 -0.42 0.00 0.00 57.16 53.72 2ksd n GLU 78 Cb 0.14 -2.11 -0.14 0.00 -0.57 0.00 0.00 31.44 28.76 2ksd n GLU 78 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 2ksd s GLN 79 N -3.29 1.17 -0.05 3.49 2.00 0.64 -4.88 119.66 118.75 2ksd s GLN 79 Ca 0.56 -0.88 -0.04 0.00 -2.00 0.00 0.00 55.36 52.99 2ksd s GLN 79 Cb 0.44 -1.26 -0.01 0.00 0.80 0.00 0.00 33.01 32.98 2ksd s GLN 79 CO -0.02 0.31 -0.09 -0.11 -0.50 0.00 0.00 175.29 174.89 2ksd n LEU 80 N 1.80 0.53 -3.89 3.68 7.94 -1.26 -4.74 117.00 121.06 2ksd n LEU 80 Ca -0.18 0.15 -0.41 0.00 -1.11 0.00 0.00 56.01 54.46 2ksd n LEU 80 Cb 0.54 -0.57 -0.00 0.00 0.53 0.00 0.00 43.42 43.91 2ksd n LEU 80 CO 0.23 -0.45 1.02 -0.62 -1.11 0.00 0.00 177.39 176.46 2ksd n GLU 81 N -3.01 4.31 -1.72 1.96 4.71 0.37 -5.01 120.64 122.25 2ksd n GLU 81 Ca -0.03 -4.59 -0.43 0.00 -0.01 0.00 0.00 57.16 52.10 2ksd n GLU 81 Cb 0.13 -2.47 -0.02 0.00 -1.01 0.00 0.00 31.44 28.06 2ksd n GLU 81 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2ksd n GLU 82 N 1.12 2.54 0.00 3.49 0.00 -1.26 -3.46 120.64 123.07 2ksd n GLU 82 Ca 0.28 0.91 0.00 0.00 0.00 0.00 0.00 57.16 58.35 2ksd n GLU 82 Cb 0.34 -2.68 0.00 0.00 0.00 0.00 0.00 31.44 29.10 2ksd n GLU 82 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2ksd n SER 83 N 2.73 0.00 0.00 4.31 7.64 -1.26 -4.71 113.62 122.33 2ksd n SER 83 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2ksd n SER 83 Cb 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 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 0.00 0.00 0.01 1.43 3.00 -1.26 -4.26 116.66 115.58 2ksd n ARG 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2ksd n ARG 84 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 32.46 32.22 2ksd n ARG 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ksd n GLN 85 N -1.74 0.00 0.00 -0.14 10.64 -1.26 -5.07 117.38 119.82 2ksd n GLN 85 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2ksd n GLN 85 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2ksd n GLN 85 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 2ksd n ARG 86 N -2.58 0.00 -4.33 2.61 1.85 -1.26 -5.00 116.66 107.95 2ksd n ARG 86 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.60 2ksd n ARG 86 Cb 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.32 2ksd n ARG 86 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2ksd s LEU 87 N -1.27 2.92 -0.67 2.89 1.02 -1.22 -0.48 118.68 121.88 2ksd s LEU 87 Ca 0.00 -0.70 -0.26 0.00 0.02 0.00 0.00 54.13 53.19 2ksd s LEU 87 Cb 0.00 -1.54 -0.13 0.00 0.02 0.00 0.00 46.19 44.55 2ksd s LEU 87 CO 0.00 0.07 2.47 -1.54 0.02 0.00 0.00 176.35 177.36 2ksd n SER 88 N -0.31 1.62 0.00 2.29 3.41 -1.25 -4.68 113.62 114.70 2ksd n SER 88 Ca -0.09 -0.52 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 2ksd n SER 88 Cb 0.57 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 2ksd n SER 88 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74