#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9s h LEU 3 N 0.00 -0.00 -2.06 3.14 6.46 -2.06 -2.75 115.31 118.05 2x9s h LEU 3 Ca 0.00 -0.48 0.09 0.00 -0.12 0.00 0.00 57.88 57.37 2x9s h LEU 3 Cb 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 2x9s h LEU 3 CO 0.00 0.48 0.36 -1.28 -0.62 0.00 0.00 178.44 177.38 2x9s h SER 4 N -0.48 0.00 0.09 1.25 0.87 -2.06 -0.75 113.55 112.47 2x9s h SER 4 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2x9s h SER 4 Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2x9s h SER 4 CO 0.00 0.00 -0.04 -0.33 -0.53 0.00 0.00 176.83 175.93 2x9s h GLU 5 N 0.00 -0.12 -0.95 2.24 5.08 -1.99 -3.34 114.58 115.50 2x9s h GLU 5 Ca 0.15 0.01 0.26 0.00 -1.00 0.00 0.00 59.36 58.78 2x9s h GLU 5 Cb 0.86 0.03 -0.14 0.00 0.50 0.00 0.00 28.75 30.01 2x9s h GLU 5 CO -0.00 -0.08 0.45 0.28 -1.00 0.00 0.00 179.01 178.66 2x9s h VAL 6 N -0.29 0.40 -0.70 3.13 2.07 -1.14 0.44 116.25 120.17 2x9s h VAL 6 Ca -0.01 -0.13 0.20 0.00 0.82 0.00 0.00 66.70 67.58 2x9s h VAL 6 Cb 0.09 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.83 2x9s h VAL 6 CO 0.02 0.07 0.63 0.08 0.02 0.00 0.00 177.57 178.39 2x9s h ARG 7 N 0.37 0.00 0.39 1.57 0.11 -1.27 0.16 114.38 115.70 2x9s h ARG 7 Ca 0.63 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.69 2x9s h ARG 7 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 2x9s h ARG 7 CO -0.57 0.00 -0.19 0.87 0.10 0.00 0.00 179.97 180.18 2x9s h LYS 8 N 0.00 -0.50 -0.71 0.08 1.57 -0.22 -3.24 116.57 113.55 2x9s h LYS 8 Ca 0.33 0.03 0.29 0.00 -1.87 0.00 0.00 60.65 59.44 2x9s h LYS 8 Cb 1.59 0.11 -0.13 0.00 0.08 0.00 0.00 32.23 33.89 2x9s h LYS 8 CO -0.00 -0.23 0.36 1.04 -0.57 0.00 0.00 179.45 180.04 2x9s n GLN 9 N -5.13 -0.04 0.00 3.15 6.02 0.54 -2.31 117.38 119.61 2x9s n GLN 9 Ca -0.08 0.98 0.00 0.00 -0.01 0.00 0.00 57.00 57.89 2x9s n GLN 9 Cb 0.26 -1.75 0.00 0.00 1.02 0.00 0.00 30.24 29.77 2x9s n GLN 9 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2x9s n LEU 10 N -4.62 0.00 -0.23 1.08 4.77 -1.11 -1.70 117.00 115.19 2x9s n LEU 10 Ca 0.26 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.36 2x9s n LEU 10 Cb 0.89 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 42.21 2x9s n LEU 10 CO 0.00 0.00 0.56 -0.62 -1.33 0.00 0.00 177.39 176.00 2x9s n GLU 11 N 0.00 -0.05 -0.18 3.23 1.02 -1.23 0.24 120.64 123.67 2x9s n GLU 11 Ca 0.00 0.98 -0.04 0.00 -0.02 0.00 0.00 57.16 58.08 2x9s n GLU 11 Cb 0.00 -1.59 0.03 0.00 -0.02 0.00 0.00 31.44 29.86 2x9s n GLU 11 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2x9s h GLU 12 N 0.00 -0.10 0.00 3.49 4.22 -1.60 0.19 114.58 120.77 2x9s h GLU 12 Ca 0.43 0.01 -0.12 0.00 0.08 0.00 0.00 59.36 59.75 2x9s h GLU 12 Cb 0.95 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 2x9s h GLU 12 CO -0.60 -0.07 -0.65 0.00 -2.18 0.00 0.00 179.01 175.51 2x9s h ALA 13 N 1.24 0.63 0.00 2.92 0.00 0.40 -3.29 119.26 121.15 2x9s h ALA 13 Ca 0.25 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2x9s h ALA 13 Cb 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2x9s h ALA 13 CO -0.61 0.74 0.00 0.54 0.00 0.00 0.00 179.25 179.92 2x9s n ARG 14 N -3.21 0.00 0.00 0.00 1.74 0.24 0.21 116.66 115.64 2x9s n ARG 14 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2x9s n ARG 14 Cb 0.77 -0.99 0.00 0.00 -1.02 0.00 0.00 32.46 31.22 2x9s n ARG 14 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2x9s n LYS 15 N 0.23 0.00 -0.10 5.56 2.85 -1.17 -4.91 118.16 120.62 2x9s n LYS 15 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2x9s n LYS 15 Cb 0.00 -0.25 0.00 0.00 -0.65 0.00 0.00 35.03 34.13 2x9s n LYS 15 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2x9s n LEU 16 N 0.00 2.20 -0.39 -5.58 4.77 0.13 -4.90 117.00 113.23 2x9s n LEU 16 Ca 0.00 -1.04 0.05 0.00 -0.03 0.00 0.00 56.01 54.98 2x9s n LEU 16 Cb 0.24 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 2x9s n LEU 16 CO 0.00 0.39 -0.17 -0.24 -1.33 0.00 0.00 177.39 176.04 2x9s n SER 17 N 1.08 -2.12 0.08 -1.43 2.88 -1.26 -4.20 113.62 108.66 2x9s n SER 17 Ca 0.00 0.40 -0.08 0.00 -1.33 0.00 0.00 58.87 57.86 2x9s n SER 17 Cb 0.29 -1.33 0.01 0.00 -0.75 0.00 0.00 64.21 62.42 2x9s n SER 17 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2x9s h PRO 18 N -0.38 0.21 0.00 -1.46 0.13 -1.97 -3.37 132.00 125.17 2x9s h PRO 18 Ca -0.05 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2x9s h PRO 18 Cb 0.37 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.56 2x9s h PRO 18 CO 0.02 0.93 0.00 0.28 -0.23 0.00 0.00 178.00 179.00 2x9s n VAL 19 N -3.70 0.00 0.00 1.56 0.31 -1.26 -4.16 118.33 111.09 2x9s n VAL 19 Ca -0.03 0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 2x9s n VAL 19 Cb 0.78 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 2x9s n VAL 19 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2x9s n GLU 20 N -0.36 0.00 0.00 5.55 4.07 -1.26 0.13 120.64 128.77 2x9s n GLU 20 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2x9s n GLU 20 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2x9s n GLU 20 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2x9s n LEU 21 N -2.31 0.00 -0.03 4.31 4.77 -1.26 -1.61 117.00 120.87 2x9s n LEU 21 Ca 0.00 0.15 -0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2x9s n LEU 21 Cb 0.00 -0.15 -0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2x9s n LEU 21 CO 0.00 -0.15 -0.01 -0.33 -1.33 0.00 0.00 177.39 175.57 2x9s h GLU 22 N 0.00 0.00 -0.76 3.23 4.39 0.80 -2.11 114.58 120.13 2x9s h GLU 22 Ca 0.00 0.00 0.18 0.00 0.34 0.00 0.00 59.36 59.88 2x9s h GLU 22 Cb 0.27 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.80 2x9s h GLU 22 CO 0.00 0.00 0.12 0.87 -1.16 0.00 0.00 179.01 178.84 2x9s h LYS 23 N -0.61 0.18 0.61 2.33 1.57 -1.54 1.26 116.57 120.37 2x9s h LYS 23 Ca 0.00 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2x9s h LYS 23 Cb 0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2x9s h LYS 23 CO 0.00 0.12 -0.49 1.25 -0.57 0.00 0.00 179.45 179.76 2x9s h LEU 24 N 0.19 -1.30 0.03 2.94 5.85 -1.64 1.81 115.31 123.19 2x9s h LEU 24 Ca 0.43 0.09 0.03 0.00 0.84 0.00 0.00 57.88 59.28 2x9s h LEU 24 Cb 0.78 0.41 -0.05 0.00 0.37 0.00 0.00 40.66 42.17 2x9s h LEU 24 CO -0.59 -0.69 -0.30 0.58 -0.34 0.00 0.00 178.44 177.10 2x9s h VAL 25 N -1.07 0.35 0.03 1.05 2.07 -0.36 1.96 116.25 120.28 2x9s h VAL 25 Ca -0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.46 2x9s h VAL 25 Cb 0.90 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 2x9s h VAL 25 CO 0.00 0.00 -0.48 0.03 0.02 0.00 0.00 177.57 177.14 2x9s h ARG 26 N -0.46 -0.60 -0.10 1.57 3.08 0.18 0.16 114.38 118.21 2x9s h ARG 26 Ca 0.05 0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.16 2x9s h ARG 26 Cb 0.53 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 2x9s h ARG 26 CO -0.23 -0.40 -0.00 0.93 -1.07 0.00 0.00 179.97 179.20 2x9s h GLU 27 N -0.62 0.03 -0.79 0.04 5.08 0.30 -1.77 114.58 116.85 2x9s h GLU 27 Ca 0.01 -0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.51 2x9s h GLU 27 Cb 0.65 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.80 2x9s h GLU 27 CO -0.31 0.02 0.35 0.87 -1.00 0.00 0.00 179.01 178.94 2x9s h LYS 28 N 0.03 0.49 -0.50 2.33 1.79 0.35 -0.75 116.57 120.31 2x9s h LYS 28 Ca 0.05 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.42 2x9s h LYS 28 Cb 0.06 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 2x9s h LYS 28 CO -0.08 0.33 0.06 0.87 -1.08 0.00 0.00 179.45 179.54 2x9s h LYS 29 N 0.51 0.84 -0.95 3.15 1.57 -0.30 -1.81 116.57 119.58 2x9s h LYS 29 Ca 0.43 -0.24 0.20 0.00 -1.87 0.00 0.00 60.65 59.17 2x9s h LYS 29 Cb 0.64 -0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.78 2x9s h LYS 29 CO -0.39 0.85 0.61 -0.09 -0.57 0.00 0.00 179.45 179.86 2x9s h ARG 30 N 0.71 0.54 0.66 3.15 2.43 -0.28 -0.18 114.38 121.41 2x9s h ARG 30 Ca 0.15 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 2x9s h ARG 30 Cb 0.43 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2x9s h ARG 30 CO 0.01 0.36 -0.49 0.93 -1.51 0.00 0.00 179.97 179.27 2x9s h GLU 31 N 0.56 -1.07 -0.35 0.20 5.08 -0.62 -1.47 114.58 116.90 2x9s h GLU 31 Ca 0.52 0.07 0.05 0.00 -1.00 0.00 0.00 59.36 59.00 2x9s h GLU 31 Cb 1.07 0.24 -0.08 0.00 0.50 0.00 0.00 28.75 30.48 2x9s h GLU 31 CO -0.26 -0.71 -0.50 1.25 -1.00 0.00 0.00 179.01 177.79 2x9s h LEU 32 N -1.11 -1.63 -0.82 1.33 6.46 -0.85 0.43 115.31 119.11 2x9s h LEU 32 Ca -0.09 0.22 0.10 0.00 -0.12 0.00 0.00 57.88 58.00 2x9s h LEU 32 Cb 0.92 0.68 -0.12 0.00 -0.73 0.00 0.00 40.66 41.41 2x9s h LEU 32 CO 0.03 -0.40 -0.50 -0.03 -0.62 0.00 0.00 178.44 176.91 2x9s h MET 33 N -0.40 -0.10 -0.39 1.25 4.05 -1.25 1.23 114.93 119.32 2x9s h MET 33 Ca 0.09 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.57 2x9s h MET 33 Cb 0.61 0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 31.35 2x9s h MET 33 CO -0.55 -0.07 -0.54 1.49 0.23 0.00 0.00 176.91 177.47 2x9s h GLU 34 N -0.11 -0.39 -0.92 0.39 4.57 0.17 0.51 114.58 118.80 2x9s h GLU 34 Ca 0.20 0.03 0.21 0.00 -1.18 0.00 0.00 59.36 58.62 2x9s h GLU 34 Cb 0.51 0.09 -0.12 0.00 -0.16 0.00 0.00 28.75 29.07 2x9s h GLU 34 CO -0.85 -0.26 0.47 -0.07 -1.18 0.00 0.00 179.01 177.12 2x9s h LEU 35 N -0.40 0.48 0.65 1.64 3.38 0.46 0.65 115.31 122.17 2x9s h LEU 35 Ca 0.08 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 2x9s h LEU 35 Cb 0.60 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2x9s h LEU 35 CO -0.58 0.08 -0.43 0.03 0.09 0.00 0.00 178.44 177.63 2x9s h ARG 36 N 0.51 -0.98 -0.55 1.13 3.08 0.61 0.61 114.38 118.78 2x9s h ARG 36 Ca 0.57 0.07 0.10 0.00 0.07 0.00 0.00 59.98 60.79 2x9s h ARG 36 Cb 1.03 0.22 -0.08 0.00 0.08 0.00 0.00 29.97 31.22 2x9s h ARG 36 CO -0.48 -0.65 0.08 0.74 -1.07 0.00 0.00 179.97 178.59 2x9s h PHE 37 N -1.02 0.12 -1.11 3.04 -1.00 -0.47 0.46 116.94 116.96 2x9s h PHE 37 Ca -0.09 0.04 0.31 0.00 2.81 0.00 0.00 57.97 61.04 2x9s h PHE 37 Cb 0.82 0.03 -0.09 0.00 3.61 0.00 0.00 35.95 40.32 2x9s h PHE 37 CO -0.10 -0.05 0.73 1.96 -1.61 0.00 0.00 178.31 179.24 2x9s h GLN 38 N 0.21 0.26 0.01 1.51 1.08 -0.38 -2.31 115.11 115.49 2x9s h GLN 38 Ca 0.28 -0.02 -0.19 0.00 -1.45 0.00 0.00 58.65 57.28 2x9s h GLN 38 Cb 0.42 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.76 2x9s h GLN 38 CO -0.39 0.17 -1.02 0.00 -0.95 0.00 0.00 178.83 176.64 2x9s h ALA 39 N 1.57 0.21 -0.94 3.87 0.00 0.21 -3.36 119.26 120.82 2x9s h ALA 39 Ca 0.62 -1.06 0.19 0.00 0.00 0.00 0.00 54.91 54.66 2x9s h ALA 39 Cb 1.82 0.57 -0.11 0.00 0.00 0.00 0.00 17.79 20.08 2x9s h ALA 39 CO -0.25 0.57 0.52 0.66 0.00 0.00 0.00 179.25 180.75 2x9s h SER 40 N -0.95 0.61 0.00 0.00 4.64 -0.31 0.37 113.55 117.92 2x9s h SER 40 Ca -0.28 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2x9s h SER 40 Cb 1.28 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2x9s h SER 40 CO -0.15 0.19 0.00 2.30 -0.87 0.00 0.00 176.83 178.30 2x9s n ILE 41 N -4.86 0.37 0.00 0.95 -5.35 -0.90 -4.86 119.36 104.71 2x9s n ILE 41 Ca 0.22 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.70 2x9s n ILE 41 Cb 0.57 -0.63 0.00 0.00 -1.74 0.00 0.00 39.64 37.83 2x9s n ILE 41 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x9s n GLY 42 N 0.67 1.31 3.82 3.28 0.00 0.13 -4.79 105.19 109.61 2x9s n GLY 42 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 2x9s n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2x9s s GLN 43 N 0.00 1.39 0.00 1.61 -0.21 -1.26 -4.53 119.66 116.66 2x9s s GLN 43 Ca 0.00 0.22 0.00 0.00 0.02 0.00 0.00 55.36 55.60 2x9s s GLN 43 Cb 0.00 -1.87 0.00 0.00 1.00 0.00 0.00 33.01 32.14 2x9s s GLN 43 CO 0.00 -2.01 0.00 1.28 -2.12 0.00 0.00 175.29 172.44 2x9s n LEU 44 N -3.63 -1.52 -3.65 2.90 4.77 -1.26 -4.62 117.00 110.00 2x9s n LEU 44 Ca 0.07 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.02 2x9s n LEU 44 Cb 0.60 -0.38 -0.07 0.00 -2.33 0.00 0.00 43.42 41.24 2x9s n LEU 44 CO 0.57 0.00 1.14 -0.94 -1.33 0.00 0.00 177.39 176.83 2x9s s SER 45 N -2.68 -0.07 -0.14 -1.43 1.04 -1.26 -4.18 113.70 104.99 2x9s s SER 45 Ca 0.00 0.13 -0.01 0.00 0.48 0.00 0.00 55.95 56.55 2x9s s SER 45 Cb 0.00 0.13 0.04 0.00 0.10 0.00 0.00 66.02 66.28 2x9s s SER 45 CO 0.00 -0.03 -0.05 -1.10 0.98 0.00 0.00 173.24 173.04 2x9s s GLN 46 N -0.10 1.38 0.00 4.02 -1.52 -1.26 -4.97 119.66 117.21 2x9s s GLN 46 Ca 0.07 -0.38 0.00 0.00 -1.95 0.00 0.00 55.36 53.11 2x9s s GLN 46 Cb -0.04 -1.79 0.00 0.00 -0.22 0.00 0.00 33.01 30.95 2x9s s GLN 46 CO -0.14 -0.37 0.00 0.09 -0.25 0.00 0.00 175.29 174.61 2x9s n ASN 47 N 4.92 0.00 0.00 5.90 4.13 -1.26 -1.68 115.26 127.27 2x9s n ASN 47 Ca -0.12 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.14 2x9s n ASN 47 Cb 0.49 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.73 2x9s n ASN 47 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2x9s n HIS 48 N 0.00 0.00 0.05 3.10 1.44 -1.26 -1.89 115.22 116.66 2x9s n HIS 48 Ca 0.00 0.00 0.19 0.00 -2.01 0.00 0.00 57.72 55.90 2x9s n HIS 48 Cb 0.00 -0.08 0.71 0.00 0.12 0.00 0.00 29.99 30.74 2x9s n HIS 48 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 2x9s h LYS 49 N 0.00 0.00 0.00 -1.40 1.79 -1.76 -0.75 116.57 114.45 2x9s h LYS 49 Ca 0.00 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.32 2x9s h LYS 49 Cb 0.09 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 2x9s h LYS 49 CO 0.00 0.00 -1.02 -0.89 -1.08 0.00 0.00 179.45 176.46 2x9s n ILE 50 N -4.27 1.49 0.22 1.86 5.41 -0.79 -2.30 119.36 120.97 2x9s n ILE 50 Ca 0.07 0.05 0.01 0.00 1.00 0.00 0.00 62.75 63.89 2x9s n ILE 50 Cb 0.53 -2.17 0.04 0.00 -0.71 0.00 0.00 39.64 37.33 2x9s n ILE 50 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2x9s n ARG 51 N -4.50 0.11 -0.07 0.38 1.85 -1.11 0.66 116.66 113.98 2x9s n ARG 51 Ca -0.24 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.48 2x9s n ARG 51 Cb 0.53 -1.19 -0.05 0.00 -1.05 0.00 0.00 32.46 30.71 2x9s n ARG 51 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2x9s n ASP 52 N -0.69 1.54 0.27 2.89 10.43 -0.30 -3.99 116.55 126.69 2x9s n ASP 52 Ca 0.01 0.26 0.14 0.00 2.57 0.00 0.00 54.79 57.77 2x9s n ASP 52 Cb 0.00 -0.60 0.75 0.00 1.84 0.00 0.00 41.12 43.12 2x9s n ASP 52 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 2x9s h LEU 53 N -0.70 0.00 0.15 0.64 6.46 -0.84 -2.07 115.31 118.95 2x9s h LEU 53 Ca -0.25 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.51 2x9s h LEU 53 Cb 1.06 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.00 2x9s h LEU 53 CO -0.15 0.10 -0.07 0.50 -0.62 0.00 0.00 178.44 178.20 2x9s h LYS 54 N 0.00 -0.20 -0.21 1.25 3.64 0.01 -2.62 116.57 118.45 2x9s h LYS 54 Ca -0.00 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 2x9s h LYS 54 Cb 0.36 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.16 2x9s h LYS 54 CO 0.01 0.20 -0.24 0.00 -2.27 0.00 0.00 179.45 177.15 2x9s h ARG 55 N -0.66 -0.26 -0.44 1.90 -0.00 -1.56 -2.14 114.38 111.22 2x9s h ARG 55 Ca -0.02 0.02 0.08 0.00 -0.50 0.00 0.00 59.98 59.56 2x9s h ARG 55 Cb 0.49 0.06 -0.10 0.00 0.00 0.00 0.00 29.97 30.42 2x9s h ARG 55 CO 0.03 -0.17 -0.37 1.96 0.00 0.00 0.00 179.97 181.43 2x9s h GLN 56 N -0.27 -0.25 -0.82 0.04 4.20 -1.40 0.18 115.11 116.79 2x9s h GLN 56 Ca 0.12 0.02 0.16 0.00 0.06 0.00 0.00 58.65 59.01 2x9s h GLN 56 Cb 0.46 0.06 -0.10 0.00 0.30 0.00 0.00 27.48 28.19 2x9s h GLN 56 CO -0.36 -0.17 0.37 0.82 -0.67 0.00 0.00 178.83 178.82 2x9s h ILE 57 N -0.26 0.64 0.64 2.54 2.04 -1.02 1.03 117.51 123.11 2x9s h ILE 57 Ca 0.17 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2x9s h ILE 57 Cb 0.56 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2x9s h ILE 57 CO -0.58 0.09 -0.31 0.00 0.00 0.00 0.00 178.15 177.35 2x9s h ALA 58 N 1.59 -0.85 -0.55 1.87 0.00 -0.51 -1.54 119.26 119.26 2x9s h ALA 58 Ca 0.46 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.28 2x9s h ALA 58 Cb 0.73 0.33 -0.11 0.00 0.00 0.00 0.00 17.79 18.75 2x9s h ALA 58 CO -0.42 -0.93 -0.15 0.00 0.00 0.00 0.00 179.25 177.75 2x9s h ARG 59 N -0.95 -0.01 -0.11 0.00 3.08 0.12 0.58 114.38 117.08 2x9s h ARG 59 Ca -0.09 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.00 2x9s h ARG 59 Cb 0.68 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.67 2x9s h ARG 59 CO 0.14 -0.01 -0.45 -0.07 -1.07 0.00 0.00 179.97 178.51 2x9s h LEU 60 N -0.02 -1.41 -0.70 3.04 3.38 0.12 0.14 115.31 119.86 2x9s h LEU 60 Ca 0.26 0.18 0.13 0.00 0.09 0.00 0.00 57.88 58.54 2x9s h LEU 60 Cb 0.42 0.57 -0.09 0.00 0.09 0.00 0.00 40.66 41.64 2x9s h LEU 60 CO -0.57 -0.45 0.25 -0.07 0.09 0.00 0.00 178.44 177.69 2x9s h LEU 61 N -0.53 0.21 -0.79 1.67 3.38 0.01 0.11 115.31 119.37 2x9s h LEU 61 Ca 0.06 0.10 0.17 0.00 0.09 0.00 0.00 57.88 58.31 2x9s h LEU 61 Cb 0.65 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.39 2x9s h LEU 61 CO -0.40 0.09 0.27 0.74 0.09 0.00 0.00 178.44 179.24 2x9s h THR 62 N 0.40 0.54 -0.10 0.22 2.02 0.19 -0.20 112.91 115.98 2x9s h THR 62 Ca 0.37 -0.12 -0.12 0.00 0.77 0.00 0.00 66.41 67.31 2x9s h THR 62 Cb 0.55 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2x9s h THR 62 CO -0.39 0.07 -0.49 0.58 0.37 0.00 0.00 175.52 175.66 2x9s h VAL 63 N 0.36 1.34 0.00 3.16 2.07 0.63 -2.58 116.25 121.24 2x9s h VAL 63 Ca 0.46 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 66.27 2x9s h VAL 63 Cb 0.78 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2x9s h VAL 63 CO -0.49 0.51 0.00 0.25 0.02 0.00 0.00 177.57 177.86 2x9s h LEU 64 N 0.20 0.00 -0.01 2.57 6.46 -0.25 -2.93 115.31 121.35 2x9s h LEU 64 Ca 0.01 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 2x9s h LEU 64 Cb 0.94 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.87 2x9s h LEU 64 CO 0.08 0.00 -0.05 0.78 -0.62 0.00 0.00 178.44 178.62 2x9s h ASN 65 N 0.00 0.05 -0.47 1.25 4.21 -1.20 -0.79 115.58 118.64 2x9s h ASN 65 Ca 0.00 -0.72 0.09 0.00 1.21 0.00 0.00 56.30 56.88 2x9s h ASN 65 Cb 0.16 -0.02 -0.07 0.00 -1.12 0.00 0.00 38.32 37.27 2x9s h ASN 65 CO 0.00 0.76 0.03 -0.08 -1.29 0.00 0.00 177.43 176.85 2x9s h GLU 66 N -0.65 0.14 0.00 0.81 4.81 -1.61 0.28 114.58 118.35 2x9s h GLU 66 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2x9s h GLU 66 Cb 0.77 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2x9s h GLU 66 CO 0.01 0.09 0.00 1.63 -0.73 0.00 0.00 179.01 180.01 2x9s n LYS 67 N -5.19 0.00 0.16 1.92 4.76 -1.16 -1.29 118.16 117.36 2x9s n LYS 67 Ca 0.05 0.63 0.09 0.00 -2.87 0.00 0.00 58.31 56.20 2x9s n LYS 67 Cb 0.25 -1.37 0.48 0.00 -1.84 0.00 0.00 35.03 32.55 2x9s n LYS 67 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2x9s n ARG 68 N -2.05 0.11 -1.32 1.97 5.12 -0.30 -0.47 116.66 119.72 2x9s n ARG 68 Ca 0.00 0.60 -0.28 0.00 -1.93 0.00 0.00 57.85 56.25 2x9s n ARG 68 Cb 0.00 -2.01 0.02 0.00 -1.16 0.00 0.00 32.46 29.31 2x9s n ARG 68 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2x9s n ARG 69 N -2.15 2.33 0.00 5.56 0.63 0.95 -4.01 116.66 119.98 2x9s n ARG 69 Ca -0.01 -2.50 0.00 0.00 -0.92 0.00 0.00 57.85 54.41 2x9s n ARG 69 Cb 0.16 -2.02 0.00 0.00 0.45 0.00 0.00 32.46 31.05 2x9s n ARG 69 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2x9s n GLN 70 N 0.03 0.00 0.00 -0.14 10.64 -0.89 -4.94 117.38 122.08 2x9s n GLN 70 Ca 0.47 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.64 2x9s n GLN 70 Cb 0.54 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.92 2x9s n GLN 70 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2x9s n ASN 71 N 0.00 0.25 0.00 2.61 3.02 0.38 -5.08 115.26 116.44 2x9s n ASN 71 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2x9s n ASN 71 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2x9s n ASN 71 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64