#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klo s ALA 2 N 0.00 -0.22 0.19 0.55 0.00 -1.26 -5.19 121.76 115.83 2klo s ALA 2 Ca 0.00 -0.82 -0.17 0.00 0.00 0.00 0.00 51.96 50.97 2klo s ALA 2 Cb 0.00 1.00 0.03 0.00 0.00 0.00 0.00 23.12 24.15 2klo s ALA 2 CO 0.00 -0.79 0.52 0.00 0.00 0.00 0.00 175.76 175.49 2klo s ALA 3 N -3.99 -0.92 -0.44 0.00 0.00 -1.26 -5.13 121.76 110.02 2klo s ALA 3 Ca 0.20 -0.23 0.06 0.00 0.00 0.00 0.00 51.96 51.99 2klo s ALA 3 Cb 0.01 0.85 0.22 0.00 0.00 0.00 0.00 23.12 24.20 2klo s ALA 3 CO 0.05 -0.80 0.62 0.43 0.00 0.00 0.00 175.76 176.07 2klo n SER 4 N -0.34 -1.44 -4.78 0.00 7.64 -1.26 -5.15 113.62 108.29 2klo n SER 4 Ca -0.10 -2.84 -0.30 0.00 1.01 0.00 0.00 58.87 56.65 2klo n SER 4 Cb 0.62 0.48 0.11 0.00 -1.01 0.00 0.00 64.21 64.42 2klo n SER 4 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2klo s PRO 5 N -0.05 1.66 0.09 1.43 0.04 -1.26 -5.09 135.00 131.81 2klo s PRO 5 Ca 0.33 0.59 -0.26 0.00 0.04 0.00 0.00 61.00 61.70 2klo s PRO 5 Cb 0.13 -1.87 0.08 0.00 0.04 0.00 0.00 34.50 32.88 2klo s PRO 5 CO -0.16 -1.90 0.73 -1.12 0.04 0.00 0.00 177.00 174.59 2klo s SER 6 N -3.83 -0.47 0.26 6.66 0.01 -1.26 -5.20 113.70 109.87 2klo s SER 6 Ca 0.62 -0.01 -0.20 0.00 1.31 0.00 0.00 55.95 57.68 2klo s SER 6 Cb -0.15 0.50 0.02 0.00 0.21 0.00 0.00 66.02 66.60 2klo s SER 6 CO 0.55 -0.82 0.66 0.00 0.41 0.00 0.00 173.24 174.04 2klo s ALA 7 N -3.47 -1.09 0.37 1.44 0.00 -1.26 -5.20 121.76 112.56 2klo s ALA 7 Ca 0.03 -0.32 0.06 0.00 0.00 0.00 0.00 51.96 51.73 2klo s ALA 7 Cb -0.01 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 2klo s ALA 7 CO -0.11 -0.97 0.22 -0.48 0.00 0.00 0.00 175.76 174.42 2klo s LEU 8 N -2.92 1.86 0.17 0.00 0.05 -1.26 -5.19 118.68 111.40 2klo s LEU 8 Ca 0.12 -1.76 -0.13 0.00 0.05 0.00 0.00 54.13 52.41 2klo s LEU 8 Cb -0.04 0.29 0.01 0.00 -2.05 0.00 0.00 46.19 44.40 2klo s LEU 8 CO 0.05 -1.04 0.39 -1.59 -0.55 0.00 0.00 176.35 173.61 2klo s LYS 9 N -3.52 1.21 0.00 1.48 0.00 -1.26 -5.05 119.74 112.60 2klo s LYS 9 Ca 0.33 -0.98 0.00 0.00 0.00 0.00 0.00 55.97 55.32 2klo s LYS 9 Cb 0.02 0.44 0.00 0.00 0.00 0.00 0.00 37.83 38.29 2klo s LYS 9 CO 0.22 -0.48 0.00 0.41 0.00 0.00 0.00 175.35 175.51 2klo n GLY 10 N -0.25 0.81 3.37 0.59 0.00 -1.26 -5.16 105.19 103.29 2klo n GLY 10 Ca -0.10 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 2klo n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2klo s VAL 11 N -1.92 0.05 0.00 1.61 0.11 -1.26 -4.97 120.40 114.02 2klo s VAL 11 Ca 0.00 -0.54 0.00 0.00 -2.93 0.00 0.00 61.98 58.51 2klo s VAL 11 Cb 0.00 -1.23 0.00 0.00 -1.53 0.00 0.00 36.38 33.62 2klo s VAL 11 CO 0.00 -0.23 0.00 -1.20 -3.33 0.00 0.00 175.10 170.34 2klo n SER 12 N -0.27 -1.63 0.52 3.54 7.64 -1.26 -4.82 113.62 117.33 2klo n SER 12 Ca -0.15 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.53 2klo n SER 12 Cb 0.64 -1.85 -0.10 0.00 -1.01 0.00 0.00 64.21 61.89 2klo n SER 12 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 2klo h GLN 13 N 0.00 -1.28 0.00 1.43 3.07 -2.01 -1.31 115.11 115.01 2klo h GLN 13 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 58.65 58.83 2klo h GLN 13 Cb 0.27 0.29 0.00 0.00 0.08 0.00 0.00 27.48 28.12 2klo h GLN 13 CO 0.00 -0.85 0.00 0.00 0.09 0.00 0.00 178.83 178.07 2klo n ALA 14 N -2.68 1.76 0.09 0.06 0.00 -1.26 -2.54 120.51 115.94 2klo n ALA 14 Ca -0.16 -0.06 -0.23 0.00 0.00 0.00 0.00 53.44 52.98 2klo n ALA 14 Cb 0.53 -1.25 -0.15 0.00 0.00 0.00 0.00 19.45 18.58 2klo n ALA 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2klo h LEU 15 N 0.00 0.66 -0.44 0.00 5.85 -1.76 -3.38 115.31 116.25 2klo h LEU 15 Ca 0.00 -0.94 0.05 0.00 0.84 0.00 0.00 57.88 57.84 2klo h LEU 15 Cb 0.21 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 2klo h LEU 15 CO 0.00 1.77 0.16 -0.07 -0.34 0.00 0.00 178.44 179.97 2klo h LEU 16 N 0.10 0.18 -2.02 2.25 3.38 -0.98 -2.40 115.31 115.82 2klo h LEU 16 Ca -0.33 0.05 0.07 0.00 0.09 0.00 0.00 57.88 57.76 2klo h LEU 16 Cb 2.11 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.87 2klo h LEU 16 CO 0.19 0.14 0.38 1.05 0.09 0.00 0.00 178.44 180.29 2klo h GLU 17 N 0.33 0.00 0.00 1.13 4.11 -1.74 -1.07 114.58 117.35 2klo h GLU 17 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 2klo h GLU 17 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2klo h GLU 17 CO -0.20 0.00 0.01 0.00 0.07 0.00 0.00 179.01 178.89 2klo h ARG 18 N 0.00 0.00 -0.00 1.06 -0.00 -1.63 -1.62 114.38 112.18 2klo h ARG 18 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.60 2klo h ARG 18 Cb 0.87 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.84 2klo h ARG 18 CO -0.00 0.00 0.03 0.82 0.00 0.00 0.00 179.97 180.82 2klo h ILE 19 N 0.00 0.03 -0.06 2.04 2.04 -1.40 -2.40 117.51 117.76 2klo h ILE 19 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 2klo h ILE 19 Cb 0.02 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2klo h ILE 19 CO 0.00 0.00 0.17 0.08 0.00 0.00 0.00 178.15 178.40 2klo h ARG 20 N 0.00 0.00 0.15 2.37 -0.00 -1.54 0.30 114.38 115.66 2klo h ARG 20 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 59.98 59.62 2klo h ARG 20 Cb 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.02 2klo h ARG 20 CO -0.00 0.00 -1.87 0.00 -0.00 0.00 0.00 179.97 178.10 2klo h ALA 21 N 1.72 0.30 -0.48 0.08 0.00 -1.68 -3.37 119.26 115.82 2klo h ALA 21 Ca 0.03 -1.27 0.05 0.00 0.00 0.00 0.00 54.91 53.72 2klo h ALA 21 Cb 0.37 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 2klo h ALA 21 CO -0.00 1.18 0.21 0.87 0.00 0.00 0.00 179.25 181.50 2klo h LYS 22 N 0.09 0.40 0.00 0.00 1.57 -1.09 -1.85 116.57 115.68 2klo h LYS 22 Ca -0.38 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2klo h LYS 22 Cb 2.07 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.29 2klo h LYS 22 CO 0.13 0.26 0.00 1.05 -0.57 0.00 0.00 179.45 180.33 2klo h GLU 23 N 0.41 0.00 0.00 3.15 4.11 -1.58 -2.82 114.58 117.85 2klo h GLU 23 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.65 2klo h GLU 23 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2klo h GLU 23 CO -0.20 0.00 0.00 -0.24 0.07 0.00 0.00 179.01 178.64 2klo h VAL 24 N 0.00 0.00 -0.06 -1.06 3.04 -1.49 -1.07 116.25 115.61 2klo h VAL 24 Ca 0.00 -0.01 0.02 0.00 -1.01 0.00 0.00 66.70 65.70 2klo h VAL 24 Cb 0.09 0.79 -0.00 0.00 -2.01 0.00 0.00 31.29 30.16 2klo h VAL 24 CO 0.00 0.00 0.13 0.06 -1.01 0.00 0.00 177.57 176.75 2klo h GLN 25 N 0.00 0.00 -0.45 4.17 -0.00 -1.70 -0.97 115.11 116.17 2klo h GLN 25 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.67 2klo h GLN 25 Cb 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.46 2klo h GLN 25 CO 0.00 0.00 0.30 -0.22 -0.00 0.00 0.00 178.83 178.91 2klo h LYS 26 N 0.00 0.54 0.00 0.06 1.63 -1.47 -0.51 116.57 116.82 2klo h LYS 26 Ca 0.03 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 2klo h LYS 26 Cb 0.29 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.80 2klo h LYS 26 CO -0.00 0.36 -0.05 1.96 -3.45 0.00 0.00 179.45 178.27 2klo h GLN 27 N 0.56 0.00 -0.02 1.90 1.08 -1.40 -1.91 115.11 115.32 2klo h GLN 27 Ca 0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 2klo h GLN 27 Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2klo h GLN 27 CO -0.04 0.05 -0.23 1.28 -0.95 0.00 0.00 178.83 178.94 2klo n LEU 28 N -3.33 2.36 -4.51 1.46 4.77 -0.22 -5.01 117.00 112.52 2klo n LEU 28 Ca -0.02 -0.82 -0.29 0.00 -0.03 0.00 0.00 56.01 54.86 2klo n LEU 28 Cb 0.20 -0.01 0.24 0.00 -2.33 0.00 0.00 43.42 41.53 2klo n LEU 28 CO 0.26 0.41 0.54 0.00 -1.33 0.00 0.00 177.39 177.27 2klo s ALA 29 N -2.24 -0.29 1.16 -1.18 0.00 -0.72 -5.03 121.76 113.45 2klo s ALA 29 Ca 0.24 -0.01 -0.18 0.00 0.00 0.00 0.00 51.96 52.01 2klo s ALA 29 Cb 0.19 -3.28 0.27 0.00 0.00 0.00 0.00 23.12 20.30 2klo s ALA 29 CO 0.44 -3.77 1.11 -0.98 0.00 0.00 0.00 175.76 172.56 2klo s ARG 30 N -4.46 -0.89 0.38 0.00 1.70 -1.26 -5.09 118.95 109.33 2klo s ARG 30 Ca 0.68 0.05 -0.09 0.00 -0.47 0.00 0.00 55.73 55.91 2klo s ARG 30 Cb -0.25 -1.62 0.03 0.00 -0.57 0.00 0.00 34.95 32.54 2klo s ARG 30 CO 0.64 -3.52 0.65 0.00 -1.08 0.00 0.00 175.30 171.99 2klo s MET 31 N -5.31 2.13 -0.17 3.89 0.23 -1.26 -5.13 119.30 113.68 2klo s MET 31 Ca 0.70 -1.64 -0.31 0.00 -1.03 0.00 0.00 55.69 53.40 2klo s MET 31 Cb -0.12 0.54 0.14 0.00 -1.53 0.00 0.00 34.83 33.86 2klo s MET 31 CO 0.56 -0.95 1.12 -0.08 -2.03 0.00 0.00 175.02 173.64 2klo s THR 32 N -2.53 0.00 -0.18 3.16 -1.32 -1.26 -5.16 115.64 108.34 2klo s THR 32 Ca 0.23 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.72 2klo s THR 32 Cb -0.03 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.99 2klo s THR 32 CO 0.17 0.00 -0.16 -0.13 -2.21 0.00 0.00 174.62 172.29 2klo s ARG 33 N -1.78 2.54 0.01 7.08 3.00 -1.26 -4.83 118.95 123.71 2klo s ARG 33 Ca 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 55.73 54.99 2klo s ARG 33 Cb -0.01 -2.42 0.00 0.00 0.00 0.00 0.00 34.95 32.52 2klo s ARG 33 CO -0.04 -0.29 0.00 0.00 0.00 0.00 0.00 175.30 174.98 2klo n PRO 35 N -2.75 0.00 0.29 0.00 -0.04 -1.26 -2.59 135.00 128.65 2klo n PRO 35 Ca 0.00 0.34 0.18 0.00 -0.04 0.00 0.00 63.50 63.99 2klo n PRO 35 Cb 0.00 -1.51 0.97 0.00 -0.04 0.00 0.00 33.50 32.92 2klo n PRO 35 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2klo h GLU 36 N 0.00 0.00 -0.63 0.54 5.08 -1.92 -2.48 114.58 115.17 2klo h GLU 36 Ca 0.00 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 2klo h GLU 36 Cb 0.16 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.33 2klo h GLU 36 CO 0.00 0.00 0.23 0.37 -1.00 0.00 0.00 179.01 178.61 2klo h GLN 37 N 0.00 0.40 -0.74 2.33 4.15 -1.94 -1.74 115.11 117.56 2klo h GLN 37 Ca 0.00 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.47 2klo h GLN 37 Cb 0.15 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.71 2klo h GLN 37 CO 0.00 0.26 0.49 1.05 -1.93 0.00 0.00 178.83 178.70 2klo h GLU 38 N 0.41 0.71 -0.34 1.69 4.11 -1.73 -1.80 114.58 117.63 2klo h GLU 38 Ca 0.32 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.69 2klo h GLU 38 Cb 0.41 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2klo h GLU 38 CO -0.32 0.47 0.13 1.25 0.07 0.00 0.00 179.01 180.61 2klo h LEU 39 N 0.73 0.47 -0.06 3.06 7.12 -1.50 -1.55 115.31 123.58 2klo h LEU 39 Ca 0.33 -0.17 -0.00 0.00 0.13 0.00 0.00 57.88 58.17 2klo h LEU 39 Cb 0.34 -0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 40.34 2klo h LEU 39 CO -0.12 0.52 0.04 0.03 -0.13 0.00 0.00 178.44 178.78 2klo h ARG 40 N 0.40 0.09 -0.84 1.25 2.47 -1.15 -1.50 114.38 115.09 2klo h ARG 40 Ca 0.11 -0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.86 2klo h ARG 40 Cb 0.20 -0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.45 2klo h ARG 40 CO -0.01 0.12 0.55 -0.07 0.56 0.00 0.00 179.97 181.13 2klo h LEU 41 N 0.03 0.89 -0.50 3.04 3.38 -1.35 -1.35 115.31 119.45 2klo h LEU 41 Ca 0.02 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2klo h LEU 41 Cb 0.06 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2klo h LEU 41 CO -0.00 0.60 0.06 1.56 0.09 0.00 0.00 178.44 180.75 2klo h GLN 42 N 1.03 0.84 -0.17 1.13 1.08 -0.85 -2.60 115.11 115.56 2klo h GLN 42 Ca 0.34 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 2klo h GLN 42 Cb 0.07 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 2klo h GLN 42 CO -0.11 0.84 0.05 0.00 -0.95 0.00 0.00 178.83 178.67 2klo h ARG 43 N 0.71 0.24 0.64 1.46 2.47 -0.22 -1.23 114.38 118.45 2klo h ARG 43 Ca 0.15 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.81 2klo h ARG 43 Cb 0.43 -0.05 0.01 0.00 -1.65 0.00 0.00 29.97 28.70 2klo h ARG 43 CO 0.01 0.22 -0.31 -0.07 0.56 0.00 0.00 179.97 180.38 2klo h LEU 44 N 0.24 -0.73 0.00 3.04 3.38 -1.07 -3.17 115.31 117.00 2klo h LEU 44 Ca 0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2klo h LEU 44 Cb 0.08 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2klo h LEU 44 CO -0.00 -0.34 0.00 -0.62 0.09 0.00 0.00 178.44 177.56 2klo n GLU 45 N -5.35 0.19 0.00 1.13 -0.58 -1.02 -2.40 120.64 112.62 2klo n GLU 45 Ca -0.11 0.16 0.16 0.00 -0.42 0.00 0.00 57.16 56.94 2klo n GLU 45 Cb 0.35 -1.50 0.87 0.00 -0.57 0.00 0.00 31.44 30.59 2klo n GLU 45 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2klo n ARG 46 N -1.29 0.99 -0.00 3.49 5.12 -0.48 -4.22 116.66 120.27 2klo n ARG 46 Ca 0.07 -0.11 -0.15 0.00 -1.93 0.00 0.00 57.85 55.72 2klo n ARG 46 Cb 0.11 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 29.82 2klo n ARG 46 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2klo h LEU 47 N 0.27 -1.70 -1.59 0.55 3.38 -1.62 0.44 115.31 115.04 2klo h LEU 47 Ca 0.00 0.20 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 2klo h LEU 47 Cb 0.10 0.66 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2klo h LEU 47 CO 0.00 -0.48 -0.22 1.55 0.09 0.00 0.00 178.44 179.38 2klo h PRO 48 N -0.59 0.00 -0.36 1.13 0.13 -1.88 -2.62 132.00 127.82 2klo h PRO 48 Ca 0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 2klo h PRO 48 Cb 0.68 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 2klo h PRO 48 CO -0.42 0.22 0.19 1.49 -0.23 0.00 0.00 178.00 179.25 2klo h GLU 49 N 0.00 0.51 -0.54 0.86 4.57 -1.41 -2.44 114.58 116.13 2klo h GLU 49 Ca -0.00 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.06 2klo h GLU 49 Cb 0.46 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 2klo h GLU 49 CO 0.03 0.44 0.14 -0.07 -1.18 0.00 0.00 179.01 178.36 2klo h LEU 50 N 0.45 0.82 -0.47 1.64 -0.00 -0.64 -2.19 115.31 114.93 2klo h LEU 50 Ca 0.13 -0.23 0.08 0.00 -0.00 0.00 0.00 57.88 57.85 2klo h LEU 50 Cb 0.08 -0.22 -0.07 0.00 -0.00 0.00 0.00 40.66 40.46 2klo h LEU 50 CO -0.02 0.84 0.09 0.00 -0.00 0.00 0.00 178.44 179.35 2klo h ALA 51 N 1.01 0.52 0.17 1.53 0.00 -1.22 0.81 119.26 122.08 2klo h ALA 51 Ca 0.17 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2klo h ALA 51 Cb 0.34 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2klo h ALA 51 CO 0.00 -0.31 -0.08 0.00 0.00 0.00 0.00 179.25 178.86 2klo h ARG 52 N 0.23 -0.22 -0.20 0.00 3.08 -1.24 -2.54 114.38 113.49 2klo h ARG 52 Ca 0.24 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.32 2klo h ARG 52 Cb 0.31 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 2klo h ARG 52 CO -0.31 -0.08 0.07 0.28 -1.07 0.00 0.00 179.97 178.86 2klo h VAL 53 N -0.31 0.95 -0.49 2.04 2.07 -0.88 -2.56 116.25 117.06 2klo h VAL 53 Ca -0.02 -0.06 0.10 0.00 0.82 0.00 0.00 66.70 67.54 2klo h VAL 53 Cb 0.24 0.77 -0.09 0.00 -1.52 0.00 0.00 31.29 30.69 2klo h VAL 53 CO 0.04 0.03 -0.14 0.25 0.02 0.00 0.00 177.57 177.77 2klo h LEU 54 N 0.17 -0.50 -0.51 2.57 5.85 -0.78 0.32 115.31 122.42 2klo h LEU 54 Ca 0.09 0.15 0.07 0.00 0.84 0.00 0.00 57.88 59.03 2klo h LEU 54 Cb 0.06 0.32 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 2klo h LEU 54 CO -0.09 -0.17 0.18 -0.09 -0.34 0.00 0.00 178.44 177.92 2klo h ARG 55 N -0.02 0.34 -0.86 1.25 2.43 -1.18 -1.55 114.38 114.79 2klo h ARG 55 Ca 0.24 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 2klo h ARG 55 Cb 0.38 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 2klo h ARG 55 CO -0.51 0.23 0.56 -0.97 -1.51 0.00 0.00 179.97 177.76 2klo h ASN 56 N 0.35 0.94 0.50 -3.80 -1.24 -0.61 -1.36 115.58 110.36 2klo h ASN 56 Ca 0.25 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.23 2klo h ASN 56 Cb 0.28 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.12 2klo h ASN 56 CO -0.26 0.65 -0.25 0.58 -1.29 0.00 0.00 177.43 176.86 2klo h VAL 57 N 1.10 0.48 -0.66 2.57 2.07 -0.16 -1.77 116.25 119.88 2klo h VAL 57 Ca 0.34 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.84 2klo h VAL 57 Cb -0.02 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 2klo h VAL 57 CO -0.11 0.00 0.33 -0.26 0.02 0.00 0.00 177.57 177.55 2klo h PHE 58 N -0.69 0.92 -0.83 1.57 -1.00 -1.31 -2.09 116.94 113.52 2klo h PHE 58 Ca -0.07 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.67 2klo h PHE 58 Cb 0.54 -0.29 -0.04 0.00 3.61 0.00 0.00 35.95 39.77 2klo h PHE 58 CO -0.05 0.67 0.47 0.28 -1.61 0.00 0.00 178.31 178.06 2klo h VAL 59 N 0.93 1.24 0.00 -0.55 2.07 -0.99 -2.20 116.25 116.75 2klo h VAL 59 Ca 0.23 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 2klo h VAL 59 Cb 0.08 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2klo h VAL 59 CO -0.03 0.26 -0.12 -1.28 0.02 0.00 0.00 177.57 176.42 2klo h SER 60 N 1.14 0.00 0.57 0.57 0.87 -0.69 -2.43 113.55 113.59 2klo h SER 60 Ca 0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 2klo h SER 60 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2klo h SER 60 CO -0.05 0.12 0.00 1.21 -0.53 0.00 0.00 176.83 177.58 2klo n GLU 61 N -3.23 0.01 -0.88 2.24 4.07 -0.83 -4.87 120.64 117.14 2klo n GLU 61 Ca 0.01 0.21 0.00 0.00 -0.06 0.00 0.00 57.16 57.32 2klo n GLU 61 Cb 0.41 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.29 2klo n GLU 61 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2klo n ARG 62 N -1.49 -1.56 -3.85 5.31 0.63 -0.91 -4.93 116.66 109.86 2klo n ARG 62 Ca 0.04 0.38 -0.13 0.00 -0.92 0.00 0.00 57.85 57.23 2klo n ARG 62 Cb 0.20 -4.85 -0.14 0.00 0.45 0.00 0.00 32.46 28.11 2klo n ARG 62 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 2klo s LYS 63 N -1.76 -0.00 0.05 -0.14 -2.85 -1.26 -5.04 119.74 108.75 2klo s LYS 63 Ca 0.00 0.04 0.28 0.00 -1.00 0.00 0.00 55.97 55.29 2klo s LYS 63 Cb 0.00 -0.06 1.11 0.00 -2.06 0.00 0.00 37.83 36.82 2klo s LYS 63 CO 0.00 -0.04 1.88 -0.35 0.10 0.00 0.00 175.35 176.94 2klo n PRO 64 N 3.33 0.07 -3.99 1.78 -0.04 -1.26 -4.72 135.00 130.17 2klo n PRO 64 Ca -0.16 0.05 -0.34 0.00 -0.04 0.00 0.00 63.50 63.02 2klo n PRO 64 Cb 0.58 -1.58 -0.15 0.00 -0.04 0.00 0.00 33.50 32.31 2klo n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2klo s ALA 65 N -3.03 2.62 0.15 0.55 0.00 -1.26 -1.57 121.76 119.22 2klo s ALA 65 Ca 0.13 -1.24 0.11 0.00 0.00 0.00 0.00 51.96 50.95 2klo s ALA 65 Cb 0.17 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 2klo s ALA 65 CO 0.55 -0.48 -0.25 -0.51 0.00 0.00 0.00 175.76 175.08 2klo s LEU 66 N 1.38 2.36 0.60 0.00 1.02 -0.24 -4.97 118.68 118.83 2klo s LEU 66 Ca 0.04 -0.79 -0.15 0.00 0.02 0.00 0.00 54.13 53.26 2klo s LEU 66 Cb -0.14 -1.14 -0.03 0.00 0.02 0.00 0.00 46.19 44.89 2klo s LEU 66 CO -0.07 0.14 1.05 -0.89 0.02 0.00 0.00 176.35 176.59 2klo s THR 67 N -1.32 3.95 0.19 5.49 2.01 -1.26 -0.51 115.64 124.20 2klo s THR 67 Ca 0.15 0.86 -0.11 0.00 0.31 0.00 0.00 61.69 62.90 2klo s THR 67 Cb -0.09 -3.43 0.12 0.00 0.01 0.00 0.00 72.50 69.10 2klo s THR 67 CO 0.07 -0.60 1.74 -0.03 -0.69 0.00 0.00 174.62 175.11 2klo h MET 68 N 0.27 0.34 -0.57 4.92 4.05 -1.19 -1.78 114.93 120.97 2klo h MET 68 Ca -0.46 -0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 58.84 2klo h MET 68 Cb 1.21 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.92 2klo h MET 68 CO 0.58 0.22 -0.02 1.49 0.23 0.00 0.00 176.91 179.41 2klo h GLU 69 N 0.35 1.01 0.49 0.39 4.81 -1.93 -2.10 114.58 117.60 2klo h GLU 69 Ca 0.27 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2klo h GLU 69 Cb 0.32 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2klo h GLU 69 CO -0.29 1.00 -0.36 0.28 -0.73 0.00 0.00 179.01 178.91 2klo h VAL 70 N 0.92 0.27 -0.08 0.32 2.07 -1.72 0.87 116.25 118.90 2klo h VAL 70 Ca 0.16 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.65 2klo h VAL 70 Cb 0.56 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2klo h VAL 70 CO 0.03 0.00 -0.12 1.62 0.02 0.00 0.00 177.57 179.12 2klo h VAL 71 N -0.83 1.14 0.56 2.57 3.04 -1.40 -1.30 116.25 120.03 2klo h VAL 71 Ca -0.05 -0.61 -0.03 0.00 -1.01 0.00 0.00 66.70 65.00 2klo h VAL 71 Cb 0.70 1.22 0.01 0.00 -2.01 0.00 0.00 31.29 31.20 2klo h VAL 71 CO 0.02 0.19 -0.27 0.00 -1.01 0.00 0.00 177.57 176.49 2klo h ALA 73 N -1.48 1.11 -0.44 0.00 0.00 -0.81 -1.63 119.26 116.01 2klo h ALA 73 Ca -0.08 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2klo h ALA 73 Cb 0.57 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2klo h ALA 73 CO 0.13 0.19 0.27 0.00 0.00 0.00 0.00 179.25 179.83 2klo h ARG 74 N 0.87 0.59 -0.07 0.00 2.47 -1.26 -1.84 114.38 115.15 2klo h ARG 74 Ca 0.36 -0.05 -0.24 0.00 -1.26 0.00 0.00 59.98 58.78 2klo h ARG 74 Cb 0.21 -0.12 0.01 0.00 -1.65 0.00 0.00 29.97 28.42 2klo h ARG 74 CO -0.19 0.44 -0.92 1.98 0.56 0.00 0.00 179.97 181.84 2klo h MET 75 N 0.58 0.71 -0.09 0.04 4.05 -0.87 -3.20 114.93 116.15 2klo h MET 75 Ca 0.16 -0.68 -0.05 0.00 -0.28 0.00 0.00 59.70 58.85 2klo h MET 75 Cb -0.01 0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 2klo h MET 75 CO -0.03 1.27 -0.17 -0.24 0.23 0.00 0.00 176.91 177.97 2klo h VAL 76 N 0.44 1.17 -0.02 -5.77 3.04 -1.24 -2.12 116.25 111.75 2klo h VAL 76 Ca -0.09 -0.79 -0.00 0.00 -1.01 0.00 0.00 66.70 64.80 2klo h VAL 76 Cb 1.56 1.29 -0.00 0.00 -2.01 0.00 0.00 31.29 32.13 2klo h VAL 76 CO 0.18 0.24 -0.00 -0.78 -1.01 0.00 0.00 177.57 176.20 2klo h ASP 77 N 0.14 0.02 0.08 3.17 1.82 -1.32 -0.55 116.42 119.79 2klo h ASP 77 Ca 0.03 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 2klo h ASP 77 Cb 0.39 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.39 2klo h ASP 77 CO 0.03 0.03 0.00 -1.20 -1.61 0.00 0.00 179.24 176.49 2klo n SER 78 N -4.52 0.00 0.00 2.28 7.64 -0.80 -3.51 113.62 114.71 2klo n SER 78 Ca -0.03 -0.55 0.08 0.00 1.01 0.00 0.00 58.87 59.39 2klo n SER 78 Cb 0.10 -0.06 0.37 0.00 -1.01 0.00 0.00 64.21 63.61 2klo n SER 78 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2klo n GLN 80 N -1.43 1.96 0.00 0.00 1.13 -1.23 -3.92 117.38 113.89 2klo n GLN 80 Ca 0.05 -1.45 0.00 0.00 -1.94 0.00 0.00 57.00 53.66 2klo n GLN 80 Cb 0.17 -2.47 0.00 0.00 0.11 0.00 0.00 30.24 28.05 2klo n GLN 80 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 2klo n THR 81 N 4.38 0.00 -2.69 5.09 5.66 -1.26 -5.09 114.28 120.36 2klo n THR 81 Ca 0.43 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.37 2klo n THR 81 Cb 0.15 0.00 0.10 0.00 -1.55 0.00 0.00 70.33 69.02 2klo n THR 81 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2klo n ALA 82 N -3.00 0.71 -2.20 1.79 0.00 -1.25 -5.15 120.51 111.41 2klo n ALA 82 Ca 0.00 -1.10 -0.10 0.00 0.00 0.00 0.00 53.44 52.25 2klo n ALA 82 Cb 0.00 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.37 2klo n ALA 82 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2klo s LEU 83 N -3.05 1.71 0.26 0.00 0.05 -1.26 -5.17 118.68 111.22 2klo s LEU 83 Ca 0.17 -1.17 -0.00 0.00 0.05 0.00 0.00 54.13 53.18 2klo s LEU 83 Cb 0.34 0.38 -0.04 0.00 -2.05 0.00 0.00 46.19 44.82 2klo s LEU 83 CO -0.08 -0.74 0.45 -0.44 -0.55 0.00 0.00 176.35 174.99 2klo s SER 84 N -3.04 6.36 0.49 1.48 0.01 -1.26 -4.91 113.70 112.83 2klo s SER 84 Ca 0.23 0.41 0.27 0.00 1.31 0.00 0.00 55.95 58.18 2klo s SER 84 Cb 0.07 -2.01 1.20 0.00 0.21 0.00 0.00 66.02 65.49 2klo s SER 84 CO 0.01 -0.14 1.94 1.55 0.41 0.00 0.00 173.24 177.02 2klo h PRO 85 N 1.48 0.00 -0.92 12.44 0.13 -1.96 -2.96 132.00 140.21 2klo h PRO 85 Ca -0.49 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2klo h PRO 85 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 2klo h PRO 85 CO 0.65 0.15 0.60 0.78 -0.23 0.00 0.00 178.00 179.95 2klo h GLY 86 N 1.66 1.30 0.61 1.56 0.00 -2.00 -2.53 103.07 103.66 2klo h GLY 86 Ca -0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 2klo h GLY 86 CO 0.02 0.48 -0.08 1.05 0.00 0.00 0.00 176.54 178.01 2klo h GLU 87 N 1.25 0.18 -0.49 4.80 4.11 -1.94 -2.59 114.58 119.89 2klo h GLU 87 Ca 0.33 -0.10 0.09 0.00 0.07 0.00 0.00 59.36 59.76 2klo h GLU 87 Cb -0.13 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.03 2klo h GLU 87 CO -0.07 0.64 -0.35 1.98 0.07 0.00 0.00 179.01 181.28 2klo h MET 88 N -0.27 -0.21 -0.22 1.06 4.05 -1.53 0.53 114.93 118.32 2klo h MET 88 Ca 0.01 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 2klo h MET 88 Cb 0.61 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.45 2klo h MET 88 CO 0.02 -0.14 0.11 1.49 0.23 0.00 0.00 176.91 178.62 2klo h GLU 89 N -0.22 0.32 -0.08 0.39 4.81 -1.53 -2.24 114.58 116.02 2klo h GLU 89 Ca 0.19 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 2klo h GLU 89 Cb 0.55 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 2klo h GLU 89 CO -0.61 0.32 0.06 0.87 -0.73 0.00 0.00 179.01 178.93 2klo h LYS 90 N 0.24 0.00 0.02 1.92 1.79 -0.84 -0.77 116.57 118.93 2klo h LYS 90 Ca 0.08 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.34 2klo h LYS 90 Cb 0.11 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 2klo h LYS 90 CO -0.01 0.00 -0.94 0.45 -1.08 0.00 0.00 179.45 177.87 2klo h HIS 91 N 0.00 0.33 0.12 -1.35 3.86 -0.42 -1.85 115.15 115.84 2klo h HIS 91 Ca 0.04 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 2klo h HIS 91 Cb 0.17 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2klo h HIS 91 CO 0.00 1.03 -0.06 -0.07 0.86 0.00 0.00 177.93 179.70 2klo h LEU 92 N 0.11 -0.14 -0.84 2.43 3.38 -0.62 -2.66 115.31 116.97 2klo h LEU 92 Ca -0.06 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 2klo h LEU 92 Cb 1.60 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.36 2klo h LEU 92 CO 0.15 0.21 -0.08 1.62 0.09 0.00 0.00 178.44 180.42 2klo h VAL 93 N -0.50 1.25 0.26 1.22 3.04 -1.38 -1.65 116.25 118.48 2klo h VAL 93 Ca -0.02 -1.12 0.00 0.00 -1.01 0.00 0.00 66.70 64.55 2klo h VAL 93 Cb 0.40 1.00 -0.02 0.00 -2.01 0.00 0.00 31.29 30.66 2klo h VAL 93 CO 0.03 0.39 -0.29 0.25 -1.01 0.00 0.00 177.57 176.94 2klo h LEU 94 N 0.71 -0.79 -0.66 3.16 5.85 -1.34 0.87 115.31 123.11 2klo h LEU 94 Ca 0.13 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 2klo h LEU 94 Cb 0.55 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 2klo h LEU 94 CO 0.03 -0.41 0.24 -0.07 -0.34 0.00 0.00 178.44 177.89 2klo h LEU 95 N -0.59 0.93 -0.56 2.25 4.07 -1.41 -2.88 115.31 117.12 2klo h LEU 95 Ca -0.00 -0.19 0.03 0.00 0.08 0.00 0.00 57.88 57.80 2klo h LEU 95 Cb 0.55 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 42.01 2klo h LEU 95 CO -0.08 0.87 0.34 0.00 -1.08 0.00 0.00 178.44 178.49 2klo h ALA 96 N 1.10 0.73 -0.00 1.53 0.00 -0.89 0.11 119.26 121.83 2klo h ALA 96 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2klo h ALA 96 Cb 0.25 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2klo h ALA 96 CO -0.01 0.06 0.00 1.49 0.00 0.00 0.00 179.25 180.79 2klo h GLU 97 N 0.67 0.00 -0.01 0.00 4.57 -0.63 -2.12 114.58 117.06 2klo h GLU 97 Ca 0.23 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 2klo h GLU 97 Cb 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2klo h GLU 97 CO -0.10 0.00 -0.46 1.28 -1.18 0.00 0.00 179.01 178.55 2klo n LEU 98 N -4.13 1.26 -3.34 1.64 4.32 -0.95 -4.78 117.00 111.02 2klo n LEU 98 Ca -0.03 -0.67 -0.26 0.00 -0.02 0.00 0.00 56.01 55.04 2klo n LEU 98 Cb 0.09 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.81 2klo n LEU 98 CO 0.30 0.26 -0.18 0.18 -1.22 0.00 0.00 177.39 176.73 2klo n LEU 99 N -0.58 1.25 0.23 2.23 4.77 -0.01 -4.96 117.00 119.92 2klo n LEU 99 Ca 0.05 -4.88 0.15 0.00 -0.03 0.00 0.00 56.01 51.30 2klo n LEU 99 Cb 0.29 0.17 0.58 0.00 -2.33 0.00 0.00 43.42 42.13 2klo n LEU 99 CO 0.23 2.01 0.94 1.55 -1.33 0.00 0.00 177.39 180.79 2klo h PRO 100 N 4.40 0.00 0.00 3.23 0.13 -1.75 -1.89 132.00 136.13 2klo h PRO 100 Ca 0.14 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.22 2klo h PRO 100 Cb 0.82 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 2klo h PRO 100 CO 0.57 0.00 -0.96 -0.44 -0.23 0.00 0.00 178.00 176.94 2klo h ASP 101 N 0.00 0.00 0.00 1.44 3.32 -1.92 -3.42 116.42 115.84 2klo h ASP 101 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2klo h ASP 101 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2klo h ASP 101 CO 0.00 0.20 0.00 1.87 -1.72 0.00 0.00 179.24 179.59 2klo n TRP 102 N -2.83 0.00 -3.00 4.55 -0.00 -0.94 -4.58 117.44 110.64 2klo n TRP 102 Ca -0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 57.50 57.14 2klo n TRP 102 Cb 0.64 -0.11 -0.06 0.00 -0.00 0.00 0.00 31.31 31.78 2klo n TRP 102 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2klo s LEU 103 N -2.71 4.14 0.09 5.87 2.01 -0.75 -1.46 118.68 125.86 2klo s LEU 103 Ca 0.00 1.49 -0.06 0.00 0.01 0.00 0.00 54.13 55.57 2klo s LEU 103 Cb 0.00 -4.07 -0.02 0.00 0.01 0.00 0.00 46.19 42.11 2klo s LEU 103 CO 0.00 -0.17 0.14 -0.55 1.01 0.00 0.00 176.35 176.78 2klo s SER 104 N -2.01 0.22 -0.01 2.29 0.15 0.14 -4.31 113.70 110.16 2klo s SER 104 Ca 0.53 -0.82 0.04 0.00 0.70 0.00 0.00 55.95 56.40 2klo s SER 104 Cb -0.13 0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 64.49 2klo s SER 104 CO 0.18 -0.72 -0.12 -0.76 1.20 0.00 0.00 173.24 173.02 2klo s LEU 105 N -2.91 2.00 -0.27 3.45 1.43 -1.26 -1.41 118.68 119.71 2klo s LEU 105 Ca 0.09 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.97 2klo s LEU 105 Cb 0.06 -0.60 0.13 0.00 0.03 0.00 0.00 46.19 45.81 2klo s LEU 105 CO -0.08 0.14 0.31 -1.00 0.23 0.00 0.00 176.35 175.94 2klo s HIS 106 N -0.23 -0.55 0.06 0.29 3.76 -0.29 -5.00 115.29 113.34 2klo s HIS 106 Ca 0.04 0.05 -0.30 0.00 -0.15 0.00 0.00 55.06 54.69 2klo s HIS 106 Cb -0.05 -0.36 -0.05 0.00 1.11 0.00 0.00 32.58 33.23 2klo s HIS 106 CO -0.00 -0.87 1.15 0.50 -0.85 0.00 0.00 174.74 174.67 2klo s ARG 107 N 2.40 4.47 0.24 1.40 3.52 -1.26 -1.89 118.95 127.84 2klo s ARG 107 Ca 0.09 1.70 0.10 0.00 -0.13 0.00 0.00 55.73 57.49 2klo s ARG 107 Cb -0.14 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 2klo s ARG 107 CO -0.28 -0.18 -0.07 0.42 -0.81 0.00 0.00 175.30 174.38 2klo s ILE 108 N 0.91 3.19 -1.74 4.11 -1.09 0.64 -4.96 121.20 122.26 2klo s ILE 108 Ca 0.56 -1.93 0.00 0.00 -2.23 0.00 0.00 60.65 57.05 2klo s ILE 108 Cb -0.28 -2.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.94 2klo s ILE 108 CO 0.30 -0.30 0.46 -2.11 -1.23 0.00 0.00 174.94 172.05 2klo n ARG 109 N -0.57 0.00 0.00 2.79 1.85 -1.26 -1.77 116.66 117.70 2klo n ARG 109 Ca -0.07 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 2klo n ARG 109 Cb 0.58 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.49 2klo n ARG 109 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2klo n THR 110 N -0.96 0.00 -3.73 8.89 5.66 -1.26 -5.14 114.28 117.75 2klo n THR 110 Ca 0.00 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.03 2klo n THR 110 Cb 0.00 -0.27 0.00 0.00 -1.55 0.00 0.00 70.33 68.51 2klo n THR 110 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2klo s ASP 111 N -1.86 -0.02 0.07 1.09 -1.08 -0.73 -5.15 116.67 108.99 2klo s ASP 111 Ca 0.00 -0.09 -0.17 0.00 -0.52 0.00 0.00 52.55 51.76 2klo s ASP 111 Cb 0.00 0.09 -0.06 0.00 -1.46 0.00 0.00 42.92 41.49 2klo s ASP 111 CO 0.00 -0.17 0.52 -0.89 0.52 0.00 0.00 175.17 175.15 2klo s THR 112 N -2.15 4.84 0.07 1.71 2.01 -1.26 -0.26 115.64 120.59 2klo s THR 112 Ca 0.20 1.04 0.02 0.00 0.31 0.00 0.00 61.69 63.26 2klo s THR 112 Cb 0.04 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 2klo s THR 112 CO -0.04 0.50 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.01 2klo s TYR 113 N -1.17 0.81 0.14 4.92 1.51 -0.79 -0.59 117.35 122.18 2klo s TYR 113 Ca 0.29 -0.69 0.11 0.00 -1.01 0.00 0.00 57.07 55.77 2klo s TYR 113 Cb -0.18 -0.47 -0.04 0.00 -0.11 0.00 0.00 41.96 41.16 2klo s TYR 113 CO 0.18 -0.10 -0.24 0.08 -1.11 0.00 0.00 175.55 174.35 2klo s VAL 114 N -2.41 2.43 0.07 0.71 1.01 0.34 -1.14 120.40 121.40 2klo s VAL 114 Ca 0.01 -1.77 0.08 0.00 0.00 0.00 0.00 61.98 60.30 2klo s VAL 114 Cb -0.03 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 2klo s VAL 114 CO -0.02 0.04 -0.23 -0.54 0.00 0.00 0.00 175.10 174.35 2klo s LYS 115 N -2.24 1.42 -0.16 2.72 3.01 -0.50 -1.08 119.74 122.91 2klo s LYS 115 Ca 0.17 -1.08 -0.04 0.00 -1.01 0.00 0.00 55.97 54.00 2klo s LYS 115 Cb -0.10 -1.64 0.08 0.00 -1.01 0.00 0.00 37.83 35.16 2klo s LYS 115 CO 0.08 0.41 0.23 -1.17 0.51 0.00 0.00 175.35 175.40 2klo s LEU 116 N -1.48 -0.18 -0.91 3.17 2.96 -0.61 -0.68 118.68 120.95 2klo s LEU 116 Ca 0.09 0.15 -0.23 0.00 -0.22 0.00 0.00 54.13 53.92 2klo s LEU 116 Cb -0.09 0.48 0.06 0.00 0.50 0.00 0.00 46.19 47.13 2klo s LEU 116 CO 0.03 -0.28 1.33 -1.81 -1.32 0.00 0.00 176.35 174.30 2klo s ASP 117 N 2.36 6.41 0.02 3.68 1.11 -0.54 -4.78 116.67 124.92 2klo s ASP 117 Ca 0.05 -1.24 0.13 0.00 0.18 0.00 0.00 52.55 51.67 2klo s ASP 117 Cb -0.14 -2.53 0.55 0.00 1.07 0.00 0.00 42.92 41.86 2klo s ASP 117 CO -0.10 -1.53 1.41 0.29 1.18 0.00 0.00 175.17 176.42 2klo n LYS 118 N 8.63 0.01 0.01 8.23 5.02 -1.26 -2.48 118.16 136.31 2klo n LYS 118 Ca 0.22 0.31 0.12 0.00 -2.02 0.00 0.00 58.31 56.93 2klo n LYS 118 Cb 0.50 -1.53 0.26 0.00 -0.02 0.00 0.00 35.03 34.24 2klo n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2klo n ALA 119 N -1.52 3.41 -1.90 7.82 0.00 -1.26 -4.90 120.51 122.15 2klo n ALA 119 Ca 0.03 -0.33 -0.41 0.00 0.00 0.00 0.00 53.44 52.73 2klo n ALA 119 Cb 0.14 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 2klo n ALA 119 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2klo s VAL 120 N -3.02 2.83 -0.07 0.00 1.01 -1.04 -4.91 120.40 115.20 2klo s VAL 120 Ca 0.10 0.70 -0.29 0.00 0.00 0.00 0.00 61.98 62.49 2klo s VAL 120 Cb 0.17 -3.45 -0.06 0.00 0.00 0.00 0.00 36.38 33.04 2klo s VAL 120 CO 0.69 0.12 1.86 -0.62 0.00 0.00 0.00 175.10 177.15 2klo s ASP 121 N 0.26 6.35 0.49 3.32 2.15 -1.26 -4.89 116.67 123.10 2klo s ASP 121 Ca 0.57 2.27 0.17 0.00 0.43 0.00 0.00 52.55 56.00 2klo s ASP 121 Cb -0.40 -2.53 1.21 0.00 -0.30 0.00 0.00 42.92 40.90 2klo s ASP 121 CO 0.43 -1.19 2.07 0.25 -0.17 0.00 0.00 175.17 176.56 2klo h LEU 122 N 11.34 0.12 0.19 -1.34 7.12 -1.95 -2.70 115.31 128.09 2klo h LEU 122 Ca -0.43 -0.00 0.01 0.00 0.13 0.00 0.00 57.88 57.59 2klo h LEU 122 Cb 1.21 -0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 41.29 2klo h LEU 122 CO 0.96 0.08 -0.26 0.00 -0.13 0.00 0.00 178.44 179.09 2klo h ALA 123 N 1.85 -0.49 -0.67 1.25 0.00 -1.99 0.16 119.26 119.37 2klo h ALA 123 Ca 0.13 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2klo h ALA 123 Cb 0.35 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2klo h ALA 123 CO -0.02 -0.81 0.44 0.78 0.00 0.00 0.00 179.25 179.64 2klo h GLY 124 N -0.51 0.93 0.83 0.00 0.00 -1.89 -1.09 103.07 101.34 2klo h GLY 124 Ca 0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 2klo h GLY 124 CO -0.10 0.30 -0.27 1.41 0.00 0.00 0.00 176.54 177.88 2klo h LEU 125 N 0.84 -0.65 -0.96 3.11 3.38 -1.10 -0.71 115.31 119.22 2klo h LEU 125 Ca 0.26 -0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.37 2klo h LEU 125 Cb 0.00 0.17 -0.10 0.00 0.09 0.00 0.00 40.66 40.82 2klo h LEU 125 CO -0.07 -0.34 0.56 0.74 0.09 0.00 0.00 178.44 179.42 2klo h THR 126 N -0.95 0.72 0.59 0.22 2.02 -0.33 -0.31 112.91 114.88 2klo h THR 126 Ca -0.08 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 2klo h THR 126 Cb 0.64 -0.08 0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2klo h THR 126 CO 0.13 0.13 -0.28 0.00 0.37 0.00 0.00 175.52 175.87 2klo h ALA 127 N 1.62 -1.00 -0.36 6.16 0.00 -1.00 -0.44 119.26 124.24 2klo h ALA 127 Ca 0.54 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.35 2klo h ALA 127 Cb 0.81 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2klo h ALA 127 CO -0.37 -0.94 0.25 0.07 0.00 0.00 0.00 179.25 178.25 2klo h ARG 128 N -0.95 0.15 0.39 0.00 0.11 -0.89 -0.51 114.38 112.68 2klo h ARG 128 Ca -0.08 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 59.97 2klo h ARG 128 Cb 0.61 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.66 2klo h ARG 128 CO 0.13 0.10 -0.19 1.25 0.10 0.00 0.00 179.97 181.37 2klo h LEU 129 N 0.16 -0.44 -1.99 0.08 6.46 -1.00 -3.28 115.31 115.29 2klo h LEU 129 Ca 0.16 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 2klo h LEU 129 Cb 0.44 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 2klo h LEU 129 CO -0.02 -0.25 0.00 0.00 -0.62 0.00 0.00 178.44 177.55 2klo h ALA 130 N -1.62 1.00 0.00 1.25 0.00 -0.84 -2.64 119.26 116.40 2klo h ALA 130 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2klo h ALA 130 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2klo h ALA 130 CO 0.09 0.00 -0.21 1.25 0.00 0.00 0.00 179.25 180.38 2klo h HIS 131 N 0.00 0.00 -0.65 0.00 2.76 -1.15 -3.47 115.15 112.65 2klo h HIS 131 Ca 0.00 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.11 2klo h HIS 131 Cb 0.27 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 2klo h HIS 131 CO 0.00 0.21 -0.06 0.72 -1.30 0.00 0.00 177.93 177.50 2klo n HIS 132 N -3.42 -0.25 -0.08 5.26 -0.00 -1.00 -4.83 115.22 110.90 2klo n HIS 132 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.64 2klo n HIS 132 Cb 0.40 -1.41 -0.01 0.00 -0.00 0.00 0.00 29.99 28.96 2klo n HIS 132 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2klo h VAL 133 N 0.00 0.35 -0.03 1.59 2.07 -1.89 -1.42 116.25 116.92 2klo h VAL 133 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2klo h VAL 133 Cb 0.43 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2klo h VAL 133 CO 0.09 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 177.56 2klo n HIS 134 N -5.39 0.00 -1.56 1.57 -0.00 -1.26 -4.97 115.22 103.62 2klo n HIS 134 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.41 2klo n HIS 134 Cb 0.30 -0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.35 2klo n HIS 134 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2klo s ALA 135 N -2.12 2.58 0.00 1.59 0.00 -0.54 -5.02 121.76 118.25 2klo s ALA 135 Ca 0.26 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.25 2klo s ALA 135 Cb 0.20 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.15 2klo s ALA 135 CO 0.37 -1.34 0.00 -0.85 0.00 0.00 0.00 175.76 173.94 2klo n GLU 136 N -3.20 0.00 -1.30 0.00 0.00 -1.26 -4.99 120.64 109.88 2klo n GLU 136 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 57.16 57.23 2klo n GLU 136 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.98 2klo n GLU 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2klo n GLY 137 N 3.25 -0.89 0.00 -1.84 0.00 -1.26 -5.17 105.19 99.29 2klo n GLY 137 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2klo n GLY 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36