#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 0.63 -0.30 0.03 1.00 -1.26 -5.15 119.30 114.25 2ksd s MET 16 Ca 0.00 -0.56 -0.14 0.00 0.00 0.00 0.00 55.69 55.00 2ksd s MET 16 Cb 0.00 0.26 0.18 0.00 0.00 0.00 0.00 34.83 35.27 2ksd s MET 16 CO 0.00 -0.17 1.06 0.21 0.00 0.00 0.00 175.02 176.12 2ksd s LYS 17 N -2.20 0.19 0.11 2.03 2.20 -1.26 -4.64 119.74 116.17 2ksd s LYS 17 Ca -0.08 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.89 2ksd s LYS 17 Cb -0.03 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.50 2ksd s LYS 17 CO -0.02 -0.18 0.00 1.28 -0.36 0.00 0.00 175.35 176.07 2ksd n LEU 18 N 5.35 -0.11 -4.57 5.43 4.77 0.24 -4.86 117.00 123.26 2ksd n LEU 18 Ca -0.07 0.19 -0.13 0.00 -0.03 0.00 0.00 56.01 55.96 2ksd n LEU 18 Cb 0.54 0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 41.73 2ksd n LEU 18 CO -0.09 -0.60 1.14 0.61 -1.33 0.00 0.00 177.39 177.13 2ksd n GLY 19 N 1.42 -0.30 4.08 -0.72 0.00 0.43 -3.84 105.19 106.26 2ksd n GLY 19 Ca 0.00 0.21 -0.45 0.00 0.00 0.00 0.00 46.02 45.78 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 19.38 -0.09 0.00 0.99 -0.00 -1.26 0.44 117.00 136.45 2ksd n LEU 20 Ca 0.44 -1.25 0.00 0.00 -0.00 0.00 0.00 56.01 55.20 2ksd n LEU 20 Cb 0.45 -1.50 0.00 0.00 -0.00 0.00 0.00 43.42 42.37 2ksd n LEU 20 CO 0.56 0.79 0.00 0.52 -0.00 0.00 0.00 177.39 179.27 2ksd n VAL 21 N -4.90 0.00 -2.21 1.47 0.31 -1.25 -5.03 118.33 106.71 2ksd n VAL 21 Ca -0.11 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 63.96 2ksd n VAL 21 Cb 0.53 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.53 2ksd n VAL 21 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2ksd s ARG 22 N -0.41 2.28 0.07 5.55 0.52 0.17 -4.63 118.95 122.50 2ksd s ARG 22 Ca 0.00 -0.21 -0.30 0.00 -0.52 0.00 0.00 55.73 54.69 2ksd s ARG 22 Cb 0.00 -2.18 -0.06 0.00 0.52 0.00 0.00 34.95 33.24 2ksd s ARG 22 CO 0.00 -1.18 1.16 -0.06 0.02 0.00 0.00 175.30 175.24 2ksd s PHE 23 N -3.22 3.48 0.27 -0.53 0.40 -1.26 0.82 117.98 117.93 2ksd s PHE 23 Ca 0.59 1.38 0.00 0.00 -0.60 0.00 0.00 56.93 58.30 2ksd s PHE 23 Cb -0.11 -3.37 0.00 0.00 0.51 0.00 0.00 43.02 40.05 2ksd s PHE 23 CO 0.45 -1.06 0.00 0.45 0.70 0.00 0.00 175.22 175.76 2ksd n SER 24 N 3.74 -6.19 -3.53 1.36 2.88 -1.26 -4.19 113.62 106.44 2ksd n SER 24 Ca 0.08 0.49 -0.40 0.00 -1.33 0.00 0.00 58.87 57.70 2ksd n SER 24 Cb 0.47 -3.19 -0.01 0.00 -0.75 0.00 0.00 64.21 60.73 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 -3.44 3.82 -0.34 -1.46 2.81 -1.26 0.16 117.12 117.41 2ksd n MET 25 Ca -0.00 -2.89 0.18 0.00 -1.81 0.00 0.00 57.70 53.18 2ksd n MET 25 Cb 0.48 -2.85 0.39 0.00 -0.71 0.00 0.00 33.22 30.53 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 7.22 0.66 -1.16 4.03 6.46 -1.87 0.39 115.31 131.04 2ksd h LEU 26 Ca 0.69 0.14 0.28 0.00 -0.12 0.00 0.00 57.88 58.86 2ksd h LEU 26 Cb 0.41 0.04 -0.12 0.00 -0.73 0.00 0.00 40.66 40.26 2ksd h LEU 26 CO 1.68 0.09 0.64 0.25 -0.62 0.00 0.00 178.44 180.48 2ksd h LEU 27 N 0.56 0.54 -1.10 2.25 7.12 -1.89 0.04 115.31 122.83 2ksd h LEU 27 Ca 0.65 0.12 0.29 0.00 0.13 0.00 0.00 57.88 59.07 2ksd h LEU 27 Cb 1.26 0.04 -0.13 0.00 -0.53 0.00 0.00 40.66 41.31 2ksd h LEU 27 CO -0.48 0.05 0.62 0.00 -0.13 0.00 0.00 178.44 178.50 2ksd h ALA 28 N 1.70 2.00 -0.92 1.25 0.00 -1.32 0.68 119.26 122.64 2ksd h ALA 28 Ca 0.65 0.13 0.25 0.00 0.00 0.00 0.00 54.91 55.94 2ksd h ALA 28 Cb 1.48 0.08 -0.13 0.00 0.00 0.00 0.00 17.79 19.21 2ksd h ALA 28 CO -0.42 -0.52 0.41 1.25 0.00 0.00 0.00 179.25 179.97 2ksd h LEU 29 N 0.43 0.32 -0.93 0.00 5.85 -1.15 0.52 115.31 120.34 2ksd h LEU 29 Ca 0.68 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 59.56 2ksd h LEU 29 Cb 1.52 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.67 2ksd h LEU 29 CO -0.48 -0.05 0.54 0.00 -0.34 0.00 0.00 178.44 178.11 2ksd h ALA 30 N 1.76 1.19 -0.27 1.25 0.00 -1.03 0.22 119.26 122.38 2ksd h ALA 30 Ca 0.60 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.34 2ksd h ALA 30 Cb 1.21 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2ksd h ALA 30 CO -0.57 0.67 -0.02 -0.07 0.00 0.00 0.00 179.25 179.26 2ksd h LEU 31 N 1.30 0.48 0.19 0.00 -0.00 -0.14 0.15 115.31 117.28 2ksd h LEU 31 Ca 0.33 -0.33 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2ksd h LEU 31 Cb -0.02 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 40.51 2ksd h LEU 31 CO -0.06 0.69 -0.12 0.58 -0.00 0.00 0.00 178.44 179.53 2ksd h VAL 32 N 0.25 0.73 0.05 1.22 2.07 -0.46 0.28 116.25 120.40 2ksd h VAL 32 Ca 0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.60 2ksd h VAL 32 Cb 0.46 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2ksd h VAL 32 CO 0.02 0.00 -0.07 0.58 0.02 0.00 0.00 177.57 178.12 2ksd h VAL 33 N -0.31 0.83 -0.49 2.57 2.07 -0.54 0.06 116.25 120.45 2ksd h VAL 33 Ca -0.02 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.57 2ksd h VAL 33 Cb 0.27 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 2ksd h VAL 33 CO 0.01 0.00 0.18 0.25 0.02 0.00 0.00 177.57 178.03 2ksd h LEU 34 N -0.15 0.18 -0.42 2.57 6.46 -0.55 0.21 115.31 123.61 2ksd h LEU 34 Ca 0.01 0.06 0.05 0.00 -0.12 0.00 0.00 57.88 57.88 2ksd h LEU 34 Cb 0.16 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.08 2ksd h LEU 34 CO -0.03 0.13 0.16 0.00 -0.62 0.00 0.00 178.44 178.07 2ksd h ALA 35 N 1.32 0.51 -0.03 1.25 0.00 -0.06 0.29 119.26 122.54 2ksd h ALA 35 Ca 0.23 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2ksd h ALA 35 Cb 0.24 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2ksd h ALA 35 CO -0.24 -0.23 0.01 0.82 0.00 0.00 0.00 179.25 179.62 2ksd h ILE 36 N 0.32 1.00 0.14 0.00 2.04 0.04 0.35 117.51 121.41 2ksd h ILE 36 Ca 0.20 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 66.06 2ksd h ILE 36 Cb 0.18 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 2ksd h ILE 36 CO -0.19 0.01 -0.20 0.58 0.00 0.00 0.00 178.15 178.35 2ksd h VAL 37 N 0.03 0.56 -0.45 1.67 2.07 -0.12 0.20 116.25 120.21 2ksd h VAL 37 Ca 0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.58 2ksd h VAL 37 Cb -0.00 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 2ksd h VAL 37 CO -0.01 0.00 0.17 0.58 0.02 0.00 0.00 177.57 178.34 2ksd h VAL 38 N -0.39 0.88 0.25 2.57 2.07 -0.31 -0.18 116.25 121.13 2ksd h VAL 38 Ca 0.02 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.42 2ksd h VAL 38 Cb 0.40 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2ksd h VAL 38 CO -0.09 0.06 -0.38 -0.61 0.02 0.00 0.00 177.57 176.58 2ksd h GLN 39 N 0.35 -0.67 -0.73 1.57 4.15 0.17 0.32 115.11 120.28 2ksd h GLN 39 Ca 0.21 0.05 0.13 0.00 0.77 0.00 0.00 58.65 59.80 2ksd h GLN 39 Cb 0.19 0.15 -0.09 0.00 0.21 0.00 0.00 27.48 27.94 2ksd h GLN 39 CO -0.20 -0.45 0.29 0.52 -1.93 0.00 0.00 178.83 177.06 2ksd h MET 40 N -0.70 0.43 -0.19 1.69 2.86 -0.25 0.18 114.93 118.95 2ksd h MET 40 Ca -0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2ksd h MET 40 Cb 0.67 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 2ksd h MET 40 CO -0.15 0.29 0.09 0.00 1.06 0.00 0.00 176.91 178.20 2ksd h ALA 41 N 1.52 0.25 -0.05 6.32 0.00 -0.42 0.25 119.26 127.12 2ksd h ALA 41 Ca 0.39 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.24 2ksd h ALA 41 Cb 0.57 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2ksd h ALA 41 CO -0.38 -0.19 -0.05 0.28 0.00 0.00 0.00 179.25 178.90 2ksd h VAL 42 N 0.18 0.84 -0.01 0.00 2.07 0.79 -0.62 116.25 119.51 2ksd h VAL 42 Ca 0.07 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 2ksd h VAL 42 Cb 0.12 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2ksd h VAL 42 CO -0.01 0.00 0.00 0.71 0.02 0.00 0.00 177.57 178.29 2ksd h THR 43 N -0.07 1.08 -0.89 2.57 1.35 -0.60 0.27 112.91 116.62 2ksd h THR 43 Ca 0.04 -0.23 0.15 0.00 -0.55 0.00 0.00 66.41 65.82 2ksd h THR 43 Cb 0.13 1.23 -0.10 0.00 -1.73 0.00 0.00 68.15 67.68 2ksd h THR 43 CO -0.10 0.06 0.48 0.24 -0.25 0.00 0.00 175.52 175.95 2ksd h MET 44 N -0.09 0.64 0.23 4.72 2.86 -0.29 -2.30 114.93 120.70 2ksd h MET 44 Ca 0.00 -0.04 -0.33 0.00 -2.06 0.00 0.00 59.70 57.27 2ksd h MET 44 Cb 0.10 -0.15 0.04 0.00 0.06 0.00 0.00 31.60 31.65 2ksd h MET 44 CO -0.00 0.43 -1.43 -0.39 1.06 0.00 0.00 176.91 176.58 2ksd h VAL 45 N 0.66 1.29 -0.36 -2.22 -1.51 -0.89 -3.36 116.25 109.86 2ksd h VAL 45 Ca 0.49 -2.66 -0.70 0.00 -1.23 0.00 0.00 66.70 62.60 2ksd h VAL 45 Cb 0.70 3.00 -0.04 0.00 -2.13 0.00 0.00 31.29 32.82 2ksd h VAL 45 CO -0.36 0.80 3.21 -0.11 -1.23 0.00 0.00 177.57 179.87 2ksd n LEU 46 N -3.75 7.90 -4.72 4.19 -0.00 0.94 -4.93 117.00 116.64 2ksd n LEU 46 Ca -0.16 -4.43 -0.35 0.00 -0.00 0.00 0.00 56.01 51.07 2ksd n LEU 46 Cb 1.08 -1.54 -0.08 0.00 -0.00 0.00 0.00 43.42 42.88 2ksd n LEU 46 CO 0.60 1.73 -0.21 -1.38 -0.00 0.00 0.00 177.39 178.14 2ksd s HIS 47 N 1.67 3.38 0.00 1.96 -3.43 -1.23 -3.94 115.29 113.69 2ksd s HIS 47 Ca 0.58 0.27 0.00 0.00 -0.80 0.00 0.00 55.06 55.10 2ksd s HIS 47 Cb 0.16 -2.09 0.00 0.00 -1.43 0.00 0.00 32.58 29.22 2ksd s HIS 47 CO -0.07 0.31 0.00 0.41 -2.00 0.00 0.00 174.74 173.39 2ksd n GLY 48 N 3.28 4.21 3.55 -1.38 0.00 -1.21 -5.05 105.19 108.59 2ksd n GLY 48 Ca -0.17 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 2ksd n GLY 48 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ksd s GLN 49 N 3.75 2.80 0.34 1.61 -1.52 -1.26 -4.84 119.66 120.55 2ksd s GLN 49 Ca 0.00 -0.01 0.02 0.00 -1.95 0.00 0.00 55.36 53.42 2ksd s GLN 49 Cb 0.00 -4.69 -0.01 0.00 -0.22 0.00 0.00 33.01 28.09 2ksd s GLN 49 CO 0.00 -2.79 0.40 0.14 -0.25 0.00 0.00 175.29 172.79 2ksd s VAL 50 N 8.41 0.00 -0.18 1.09 -7.23 -1.26 -4.93 120.40 116.29 2ksd s VAL 50 Ca 0.61 -1.76 -0.09 0.00 -1.81 0.00 0.00 61.98 58.93 2ksd s VAL 50 Cb -0.09 -2.60 -0.08 0.00 0.56 0.00 0.00 36.38 34.17 2ksd s VAL 50 CO 0.09 0.00 -0.23 -0.62 -0.31 0.00 0.00 175.10 174.03 2ksd n GLU 51 N -0.60 0.39 0.17 4.82 1.02 -1.26 -4.76 120.64 120.43 2ksd n GLU 51 Ca 0.04 0.17 -0.14 0.00 -0.02 0.00 0.00 57.16 57.20 2ksd n GLU 51 Cb 0.62 -1.17 -0.08 0.00 -0.02 0.00 0.00 31.44 30.79 2ksd n GLU 51 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2ksd h SER 52 N -0.61 -1.20 0.00 1.62 0.02 -1.93 -3.47 113.55 107.97 2ksd h SER 52 Ca -0.46 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2ksd h SER 52 Cb 1.43 0.42 0.00 0.00 0.14 0.00 0.00 62.40 64.38 2ksd h SER 52 CO -0.27 -0.50 0.00 0.00 -1.14 0.00 0.00 176.83 174.92 2ksd n ILE 53 N -4.90 0.00 0.09 3.27 3.06 -1.26 -5.06 119.36 114.57 2ksd n ILE 53 Ca -0.08 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.17 2ksd n ILE 53 Cb 0.36 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.54 2ksd n ILE 53 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 2ksd n ASP 54 N -2.81 0.13 -4.77 9.51 5.68 -1.26 -4.73 116.55 118.30 2ksd n ASP 54 Ca 0.00 0.31 -0.40 0.00 -0.50 0.00 0.00 54.79 54.20 2ksd n ASP 54 Cb 0.00 0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 2ksd n ASP 54 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2ksd s VAL 55 N -1.76 2.28 -0.03 2.12 0.11 -1.25 -3.34 120.40 118.53 2ksd s VAL 55 Ca 0.00 0.26 -0.01 0.00 -2.93 0.00 0.00 61.98 59.31 2ksd s VAL 55 Cb 0.00 -3.16 -0.00 0.00 -1.53 0.00 0.00 36.38 31.69 2ksd s VAL 55 CO 0.00 0.05 -0.01 0.40 -3.33 0.00 0.00 175.10 172.20 2ksd h ILE 56 N 2.55 0.00 -0.04 7.04 2.04 -1.92 -3.40 117.51 123.79 2ksd h ILE 56 Ca -0.50 -0.28 -0.69 0.00 1.00 0.00 0.00 64.86 64.39 2ksd h ILE 56 Cb 1.25 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2ksd h ILE 56 CO 0.63 0.00 3.49 0.54 0.00 0.00 0.00 178.15 182.81 2ksd n ARG 57 N -2.82 3.33 0.00 2.37 3.00 -1.26 -4.76 116.66 116.52 2ksd n ARG 57 Ca -0.01 -2.42 0.00 0.00 -0.01 0.00 0.00 57.85 55.42 2ksd n ARG 57 Cb 0.02 -3.02 0.00 0.00 0.00 0.00 0.00 32.46 29.46 2ksd n ARG 57 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2ksd n SER 58 N 4.70 0.00 -0.27 0.55 3.41 -1.26 -2.05 113.62 118.70 2ksd n SER 58 Ca 0.66 0.25 0.06 0.00 -0.26 0.00 0.00 58.87 59.58 2ksd n SER 58 Cb 0.30 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.46 2ksd n SER 58 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2ksd h ILE 59 N 0.00 0.65 -0.96 -1.33 2.04 -1.97 0.79 117.51 116.73 2ksd h ILE 59 Ca 0.00 -0.16 0.24 0.00 1.00 0.00 0.00 64.86 65.94 2ksd h ILE 59 Cb 0.00 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 36.15 2ksd h ILE 59 CO 0.00 0.09 0.64 0.15 0.00 0.00 0.00 178.15 179.03 2ksd h PHE 60 N 0.47 0.49 -0.97 1.37 3.57 -1.92 -0.13 116.94 119.83 2ksd h PHE 60 Ca 0.44 0.02 0.29 0.00 3.53 0.00 0.00 57.97 62.24 2ksd h PHE 60 Cb 0.67 -0.15 -0.14 0.00 2.79 0.00 0.00 35.95 39.12 2ksd h PHE 60 CO -0.15 0.10 0.48 0.35 -2.23 0.00 0.00 178.31 176.86 2ksd h PHE 61 N 0.34 0.79 -0.95 0.41 3.04 -0.23 0.14 116.94 120.47 2ksd h PHE 61 Ca 0.51 0.04 0.30 0.00 3.98 0.00 0.00 57.97 62.80 2ksd h PHE 61 Cb 1.40 -0.19 -0.16 0.00 2.56 0.00 0.00 35.95 39.56 2ksd h PHE 61 CO -0.00 -0.16 0.31 0.78 -2.02 0.00 0.00 178.31 177.22 2ksd h GLY 62 N 0.32 1.66 0.10 2.40 0.00 -1.16 0.40 103.07 106.80 2ksd h GLY 62 Ca 0.68 -0.05 0.10 0.00 0.00 0.00 0.00 47.33 48.06 2ksd h GLY 62 CO -0.61 -0.52 -0.02 -2.00 0.00 0.00 0.00 176.54 173.39 2ksd h LEU 63 N 0.14 -0.27 -1.90 3.11 6.46 -0.90 0.35 115.31 122.29 2ksd h LEU 63 Ca 0.66 0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 58.53 2ksd h LEU 63 Cb 1.49 0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 41.65 2ksd h LEU 63 CO -0.74 -0.10 -0.10 0.25 -0.62 0.00 0.00 178.44 177.13 2ksd h LEU 64 N 0.10 0.00 -1.97 2.25 5.85 -0.33 -1.24 115.31 119.97 2ksd h LEU 64 Ca 0.26 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 2ksd h LEU 64 Cb 0.41 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 2ksd h LEU 64 CO -0.46 0.10 -0.11 0.40 -0.34 0.00 0.00 178.44 178.04 2ksd h ILE 65 N 0.00 0.58 0.69 4.05 2.04 0.24 -0.97 117.51 124.15 2ksd h ILE 65 Ca -0.00 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 2ksd h ILE 65 Cb 0.20 1.30 0.01 0.00 -0.74 0.00 0.00 36.82 37.59 2ksd h ILE 65 CO 0.01 0.10 -0.33 0.74 0.00 0.00 0.00 178.15 178.67 2ksd h THR 66 N 0.00 0.00 -0.49 -0.27 2.02 -0.94 0.49 112.91 113.72 2ksd h THR 66 Ca -0.00 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 2ksd h THR 66 Cb 0.29 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 2ksd h THR 66 CO 0.01 0.00 0.07 1.55 0.37 0.00 0.00 175.52 177.53 2ksd h PRO 67 N -0.96 0.82 -0.38 6.66 0.13 -1.68 -1.18 132.00 135.41 2ksd h PRO 67 Ca -0.10 -0.22 0.03 0.00 -0.87 0.00 0.00 66.00 64.84 2ksd h PRO 67 Cb 0.71 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.72 2ksd h PRO 67 CO 0.16 0.82 0.20 2.35 -0.23 0.00 0.00 178.00 181.29 2ksd h TRP 68 N 0.69 0.36 -0.03 1.56 7.01 -1.20 0.18 115.95 124.53 2ksd h TRP 68 Ca 0.15 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 2ksd h TRP 68 Cb 0.40 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.35 2ksd h TRP 68 CO 0.03 0.20 0.01 0.00 -2.79 0.00 0.00 178.44 175.89 2ksd h ALA 69 N 1.19 0.03 -0.08 2.65 0.00 0.11 0.46 119.26 123.63 2ksd h ALA 69 Ca 0.16 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2ksd h ALA 69 Cb 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2ksd h ALA 69 CO -0.10 -0.40 -0.19 0.28 0.00 0.00 0.00 179.25 178.83 2ksd h VAL 70 N -0.09 0.52 -0.06 0.00 2.07 -0.90 0.44 116.25 118.24 2ksd h VAL 70 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2ksd h VAL 70 Cb 0.13 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2ksd h VAL 70 CO -0.00 0.00 0.04 0.22 0.02 0.00 0.00 177.57 177.84 2ksd h TYR 71 N -0.27 0.07 -0.49 1.57 5.03 -0.54 -1.25 116.97 121.10 2ksd h TYR 71 Ca 0.08 0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.46 2ksd h TYR 71 Cb 0.39 -0.02 -0.06 0.00 1.55 0.00 0.00 36.73 38.58 2ksd h TYR 71 CO -0.28 0.07 0.16 0.35 -1.32 0.00 0.00 178.16 177.15 2ksd h PHE 72 N 0.05 0.28 0.13 -3.82 3.57 0.36 0.27 116.94 117.78 2ksd h PHE 72 Ca 0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2ksd h PHE 72 Cb 0.02 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 2ksd h PHE 72 CO -0.07 0.08 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.91 2ksd h LEU 73 N 0.33 -0.29 -0.38 0.59 3.38 0.10 0.39 115.31 119.42 2ksd h LEU 73 Ca 0.24 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.29 2ksd h LEU 73 Cb 0.26 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 2ksd h LEU 73 CO -0.25 -0.18 0.08 -1.28 0.09 0.00 0.00 178.44 176.90 2ksd h SER 74 N -0.26 0.02 0.67 -0.43 0.87 -0.68 0.16 113.55 113.90 2ksd h SER 74 Ca 0.00 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 2ksd h SER 74 Cb 0.24 0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2ksd h SER 74 CO -0.02 0.05 -0.32 0.58 -0.53 0.00 0.00 176.83 176.58 2ksd h VAL 75 N 0.21 0.33 -0.73 2.23 2.07 -0.13 0.21 116.25 120.44 2ksd h VAL 75 Ca 0.18 -0.05 0.13 0.00 0.82 0.00 0.00 66.70 67.79 2ksd h VAL 75 Cb 0.21 0.35 -0.09 0.00 -1.52 0.00 0.00 31.29 30.24 2ksd h VAL 75 CO -0.24 0.01 0.28 0.58 0.02 0.00 0.00 177.57 178.22 2ksd h VAL 76 N -0.93 0.67 0.54 2.57 2.07 -0.01 1.54 116.25 122.69 2ksd h VAL 76 Ca -0.09 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 2ksd h VAL 76 Cb 0.70 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2ksd h VAL 76 CO 0.15 0.08 -0.26 0.58 0.02 0.00 0.00 177.57 178.14 2ksd h VAL 77 N 0.42 0.44 -0.41 2.57 2.07 -0.49 -1.34 116.25 119.52 2ksd h VAL 77 Ca 0.39 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.72 2ksd h VAL 77 Cb 0.58 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2ksd h VAL 77 CO -0.39 0.03 0.23 -0.08 0.02 0.00 0.00 177.57 177.38 2ksd h GLU 78 N -0.85 0.55 0.39 1.57 4.81 0.05 -3.08 114.58 118.02 2ksd h GLU 78 Ca -0.07 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 2ksd h GLU 78 Cb 0.60 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 2ksd h GLU 78 CO 0.12 0.40 -0.26 0.37 -0.73 0.00 0.00 179.01 178.91 2ksd h GLN 79 N 0.56 -0.60 -5.87 1.92 4.15 0.24 -3.45 115.11 112.06 2ksd h GLN 79 Ca 0.15 0.04 -0.40 0.00 0.77 0.00 0.00 58.65 59.21 2ksd h GLN 79 Cb 0.00 0.14 -0.25 0.00 0.21 0.00 0.00 27.48 27.58 2ksd h GLN 79 CO -0.03 -0.40 -0.57 1.47 -1.93 0.00 0.00 178.83 177.37 2ksd n LEU 80 N -3.95 -0.52 0.00 -2.39 -0.00 -0.53 -4.52 117.00 105.10 2ksd n LEU 80 Ca -0.08 -0.71 0.00 0.00 -0.00 0.00 0.00 56.01 55.23 2ksd n LEU 80 Cb 0.26 -1.16 0.00 0.00 -0.00 0.00 0.00 43.42 42.52 2ksd n LEU 80 CO 0.17 0.06 0.00 1.21 -0.00 0.00 0.00 177.39 178.84 2ksd n GLU 81 N -3.03 0.00 -3.59 1.47 0.00 -1.26 -5.06 120.64 109.17 2ksd n GLU 81 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.17 2ksd n GLU 81 Cb 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.78 2ksd n GLU 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2ksd s GLU 82 N -0.39 0.89 -0.45 5.31 4.04 -1.26 -4.84 118.70 122.00 2ksd s GLU 82 Ca 0.00 -0.40 0.07 0.00 0.04 0.00 0.00 54.97 54.68 2ksd s GLU 82 Cb 0.00 0.36 0.33 0.00 0.02 0.00 0.00 34.13 34.84 2ksd s GLU 82 CO 0.00 -0.40 1.12 -1.13 -1.84 0.00 0.00 175.26 173.01 2ksd n SER 83 N -0.32 -2.05 0.07 0.83 3.41 -1.26 -4.98 113.62 109.32 2ksd n SER 83 Ca -0.07 -3.52 -0.03 0.00 -0.26 0.00 0.00 58.87 54.99 2ksd n SER 83 Cb 0.61 1.64 -0.07 0.00 -0.26 0.00 0.00 64.21 66.13 2ksd n SER 83 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2ksd h ARG 84 N 2.89 0.00 -0.45 4.33 3.08 -1.99 -3.37 114.38 118.88 2ksd h ARG 84 Ca -0.11 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.03 2ksd h ARG 84 Cb 1.11 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.07 2ksd h ARG 84 CO 0.14 0.71 -0.27 0.37 -1.07 0.00 0.00 179.97 179.85 2ksd h GLN 85 N 0.00 -0.17 0.00 0.04 -0.00 -1.95 -3.45 115.11 109.58 2ksd h GLN 85 Ca -0.06 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 2ksd h GLN 85 Cb 1.66 0.04 0.00 0.00 0.00 0.00 0.00 27.48 29.18 2ksd h GLN 85 CO 0.09 -0.11 0.00 0.54 0.00 0.00 0.00 178.83 179.35 2ksd n ARG 86 N -5.41 0.00 0.11 1.69 3.00 -1.26 -5.09 116.66 109.70 2ksd n ARG 86 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.87 2ksd n ARG 86 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.78 2ksd n ARG 86 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2ksd n LEU 87 N -2.67 -2.02 -4.90 0.55 -0.00 -1.26 -5.01 117.00 101.69 2ksd n LEU 87 Ca 0.00 0.53 -0.30 0.00 -0.00 0.00 0.00 56.01 56.24 2ksd n LEU 87 Cb 0.00 2.08 -0.04 0.00 -0.00 0.00 0.00 43.42 45.46 2ksd n LEU 87 CO 0.00 0.04 -0.16 -0.55 -0.00 0.00 0.00 177.39 176.72 2ksd s SER 88 N -2.00 6.22 0.00 1.45 0.15 -1.26 -4.89 113.70 113.37 2ksd s SER 88 Ca 0.00 0.21 0.25 0.00 0.70 0.00 0.00 55.95 57.11 2ksd s SER 88 Cb 0.00 -1.88 0.47 0.00 -1.71 0.00 0.00 66.02 62.91 2ksd s SER 88 CO 0.00 0.15 1.42 -1.14 1.20 0.00 0.00 173.24 174.87