#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 0.04 0.27 0.55 0.00 -1.26 -5.19 121.76 116.18 2klo s ALA 2 Ca 0.00 -0.86 -0.20 0.00 0.00 0.00 0.00 51.96 50.90 2klo s ALA 2 Cb 0.00 0.66 0.02 0.00 0.00 0.00 0.00 23.12 23.80 2klo s ALA 2 CO 0.00 -0.55 0.68 0.00 0.00 0.00 0.00 175.76 175.89 2klo s ALA 3 N -3.93 -1.06 0.59 0.00 0.00 -1.26 -5.17 121.76 110.93 2klo s ALA 3 Ca 0.12 -0.39 -0.15 0.00 0.00 0.00 0.00 51.96 51.54 2klo s ALA 3 Cb 0.05 0.89 -0.04 0.00 0.00 0.00 0.00 23.12 24.01 2klo s ALA 3 CO -0.05 -1.00 1.04 -1.54 0.00 0.00 0.00 175.76 174.20 2klo s SER 4 N -2.93 5.98 0.79 0.00 1.04 -1.26 -5.05 113.70 112.27 2klo s SER 4 Ca 0.13 1.68 -0.11 0.00 0.48 0.00 0.00 55.95 58.13 2klo s SER 4 Cb -0.05 -2.51 0.07 0.00 0.10 0.00 0.00 66.02 63.62 2klo s SER 4 CO 0.07 -1.03 1.09 -2.16 0.98 0.00 0.00 173.24 172.19 2klo s PRO 5 N -4.33 2.11 0.82 4.02 0.04 -1.26 -5.05 135.00 131.35 2klo s PRO 5 Ca 0.61 0.90 -0.12 0.00 0.04 0.00 0.00 61.00 62.42 2klo s PRO 5 Cb -0.14 -1.90 0.08 0.00 0.04 0.00 0.00 34.50 32.59 2klo s PRO 5 CO 0.40 -1.67 1.16 -1.54 0.04 0.00 0.00 177.00 175.39 2klo s SER 6 N -3.62 4.42 -0.04 6.66 1.04 -1.26 -5.10 113.70 115.80 2klo s SER 6 Ca 0.61 0.88 -0.01 0.00 0.48 0.00 0.00 55.95 57.91 2klo s SER 6 Cb -0.16 -1.43 0.03 0.00 0.10 0.00 0.00 66.02 64.56 2klo s SER 6 CO 0.56 -1.97 0.01 0.00 0.98 0.00 0.00 173.24 172.82 2klo s ALA 7 N -3.48 0.44 0.21 5.32 0.00 -1.26 -5.15 121.76 117.84 2klo s ALA 7 Ca 0.62 0.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.63 2klo s ALA 7 Cb -0.12 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 2klo s ALA 7 CO 0.50 -0.27 0.18 -0.51 0.00 0.00 0.00 175.76 175.67 2klo s LEU 8 N 1.52 1.09 -0.05 0.00 1.43 -1.26 -5.19 118.68 116.23 2klo s LEU 8 Ca -0.03 -1.36 -0.14 0.00 -1.03 0.00 0.00 54.13 51.57 2klo s LEU 8 Cb -0.13 0.56 0.03 0.00 0.03 0.00 0.00 46.19 46.67 2klo s LEU 8 CO -0.03 -0.89 0.32 -0.54 0.23 0.00 0.00 176.35 175.44 2klo s LYS 9 N -4.09 0.60 0.00 1.70 3.01 -1.26 -5.15 119.74 114.55 2klo s LYS 9 Ca 0.37 -0.01 0.00 0.00 -1.01 0.00 0.00 55.97 55.32 2klo s LYS 9 Cb 0.06 0.27 0.00 0.00 -1.01 0.00 0.00 37.83 37.15 2klo s LYS 9 CO 0.13 -0.15 0.00 0.41 0.51 0.00 0.00 175.35 176.25 2klo n GLY 10 N 1.71 0.64 2.66 -3.33 0.00 -1.26 -5.15 105.19 100.47 2klo n GLY 10 Ca -0.19 0.63 -0.23 0.00 0.00 0.00 0.00 46.02 46.23 2klo n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2klo s VAL 11 N 0.00 -0.19 -1.01 1.61 1.01 -1.26 -5.07 120.40 115.50 2klo s VAL 11 Ca 0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 2klo s VAL 11 Cb 0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 36.38 35.68 2klo s VAL 11 CO 0.00 -0.27 2.20 -1.20 0.00 0.00 0.00 175.10 175.83 2klo n SER 12 N 5.29 5.09 -0.15 3.32 7.64 -1.26 -4.71 113.62 128.85 2klo n SER 12 Ca -0.06 -2.42 -0.03 0.00 1.01 0.00 0.00 58.87 57.37 2klo n SER 12 Cb 0.49 -1.18 0.06 0.00 -1.01 0.00 0.00 64.21 62.57 2klo n SER 12 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2klo h GLN 13 N 6.33 0.31 -0.41 1.43 1.08 -1.99 0.18 115.11 122.04 2klo h GLN 13 Ca 0.54 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.63 2klo h GLN 13 Cb 0.26 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 2klo h GLN 13 CO 1.57 0.20 -0.11 0.00 -0.95 0.00 0.00 178.83 179.55 2klo h ALA 14 N 1.34 0.57 0.00 3.87 0.00 -2.03 -2.86 119.26 120.13 2klo h ALA 14 Ca 0.23 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2klo h ALA 14 Cb 0.26 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2klo h ALA 14 CO -0.26 0.45 -0.21 -0.07 0.00 0.00 0.00 179.25 179.16 2klo h LEU 15 N 0.62 0.00 -2.22 0.00 -0.00 -1.80 -2.53 115.31 109.38 2klo h LEU 15 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.97 2klo h LEU 15 Cb 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.30 2klo h LEU 15 CO 0.04 0.21 -0.05 -0.07 -0.00 0.00 0.00 178.44 178.57 2klo h LEU 16 N 0.00 0.00 -2.67 1.67 3.38 -0.74 -2.21 115.31 114.75 2klo h LEU 16 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2klo h LEU 16 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2klo h LEU 16 CO 0.03 0.05 -0.00 1.05 0.09 0.00 0.00 178.44 179.66 2klo h GLU 17 N 0.00 0.00 0.00 1.13 4.11 -1.51 -1.97 114.58 116.34 2klo h GLU 17 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 2klo h GLU 17 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2klo h GLU 17 CO 0.01 0.00 -0.24 0.00 0.07 0.00 0.00 179.01 178.85 2klo h ARG 18 N 0.00 0.00 -0.54 1.06 3.08 -1.59 -2.68 114.38 113.71 2klo h ARG 18 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 2klo h ARG 18 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2klo h ARG 18 CO 0.00 0.24 0.11 0.82 -1.07 0.00 0.00 179.97 180.07 2klo h ILE 19 N 0.00 1.23 -0.70 2.04 1.08 -1.56 -3.07 117.51 116.53 2klo h ILE 19 Ca -0.00 -0.85 0.14 0.00 -0.39 0.00 0.00 64.86 63.76 2klo h ILE 19 Cb 0.43 0.70 -0.10 0.00 -3.07 0.00 0.00 36.82 34.78 2klo h ILE 19 CO 0.03 0.32 0.17 -0.09 -0.69 0.00 0.00 178.15 177.89 2klo h ARG 20 N 0.80 0.28 0.00 2.37 1.12 -1.63 0.22 114.38 117.54 2klo h ARG 20 Ca 0.17 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 59.02 2klo h ARG 20 Cb 0.33 -0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 30.22 2klo h ARG 20 CO 0.00 0.18 -0.04 0.00 -3.11 0.00 0.00 179.97 177.01 2klo h ALA 21 N 1.56 1.22 0.02 2.80 0.00 -1.67 -1.47 119.26 121.72 2klo h ALA 21 Ca 0.38 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 55.04 2klo h ALA 21 Cb 0.62 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2klo h ALA 21 CO -0.47 0.05 -0.96 0.87 0.00 0.00 0.00 179.25 178.74 2klo h LYS 22 N 0.00 0.28 0.00 0.00 6.56 -1.08 -3.16 116.57 119.17 2klo h LYS 22 Ca -0.00 -0.33 -0.02 0.00 -1.06 0.00 0.00 60.65 59.24 2klo h LYS 22 Cb 0.16 0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 31.92 2klo h LYS 22 CO 0.00 1.05 -0.09 0.93 -2.06 0.00 0.00 179.45 179.28 2klo h GLU 23 N 0.14 0.00 -0.00 3.15 4.39 -1.17 -3.22 114.58 117.87 2klo h GLU 23 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2klo h GLU 23 Cb 1.61 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.26 2klo h GLU 23 CO 0.16 0.09 0.33 0.28 -1.16 0.00 0.00 179.01 178.71 2klo h VAL 24 N 0.00 0.00 -0.08 3.13 2.07 -1.46 -0.12 116.25 119.79 2klo h VAL 24 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 2klo h VAL 24 Cb 0.59 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2klo h VAL 24 CO 0.01 0.00 0.06 0.06 0.02 0.00 0.00 177.57 177.72 2klo h GLN 25 N 0.00 0.04 -0.08 1.57 3.07 -1.78 -0.81 115.11 117.13 2klo h GLN 25 Ca 0.00 -0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.53 2klo h GLN 25 Cb 0.66 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.22 2klo h GLN 25 CO -0.00 0.03 -0.82 0.87 0.09 0.00 0.00 178.83 179.00 2klo h LYS 26 N 0.04 0.55 0.00 0.06 1.57 -1.30 -3.02 116.57 114.47 2klo h LYS 26 Ca 0.04 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2klo h LYS 26 Cb 0.10 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2klo h LYS 26 CO -0.00 1.12 0.00 1.04 -0.57 0.00 0.00 179.45 181.04 2klo n GLN 27 N -3.85 0.02 -0.00 3.15 3.00 -0.40 -3.52 117.38 115.78 2klo n GLN 27 Ca -0.06 0.21 -0.10 0.00 -0.01 0.00 0.00 57.00 57.04 2klo n GLN 27 Cb 0.76 -1.54 -0.05 0.00 0.00 0.00 0.00 30.24 29.42 2klo n GLN 27 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2klo h LEU 28 N 0.00 -0.06 -5.73 1.08 7.12 -1.19 -3.02 115.31 113.52 2klo h LEU 28 Ca 0.00 0.03 -0.70 0.00 0.13 0.00 0.00 57.88 57.34 2klo h LEU 28 Cb 0.32 0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.48 2klo h LEU 28 CO 0.00 -0.01 3.30 0.00 -0.13 0.00 0.00 178.44 181.60 2klo n ALA 29 N -2.23 6.12 -3.75 1.25 0.00 -1.23 -4.77 120.51 115.91 2klo n ALA 29 Ca -0.05 -3.80 0.06 0.00 0.00 0.00 0.00 53.44 49.66 2klo n ALA 29 Cb 0.07 -3.47 0.02 0.00 0.00 0.00 0.00 19.45 16.07 2klo n ALA 29 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2klo n ARG 30 N 5.29 0.58 -3.70 0.00 3.00 -1.14 -5.08 116.66 115.61 2klo n ARG 30 Ca 0.59 -1.30 -0.22 0.00 -0.00 0.00 0.00 57.85 56.92 2klo n ARG 30 Cb 0.34 1.75 -0.18 0.00 0.00 0.00 0.00 32.46 34.38 2klo n ARG 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2klo s MET 31 N -2.05 0.21 -0.26 -0.14 0.23 -1.26 -5.10 119.30 110.93 2klo s MET 31 Ca 0.19 0.16 -0.04 0.00 -1.03 0.00 0.00 55.69 54.97 2klo s MET 31 Cb -0.03 -0.99 0.10 0.00 -1.53 0.00 0.00 34.83 32.38 2klo s MET 31 CO 0.05 -0.40 0.14 0.99 -2.03 0.00 0.00 175.02 173.77 2klo s THR 32 N 2.08 -0.12 -0.33 3.16 2.01 -1.26 -5.10 115.64 116.09 2klo s THR 32 Ca 0.04 -0.59 -0.27 0.00 0.31 0.00 0.00 61.69 61.18 2klo s THR 32 Cb -0.13 -0.89 -0.06 0.00 0.01 0.00 0.00 72.50 71.44 2klo s THR 32 CO -0.05 -0.59 2.30 -0.13 -0.69 0.00 0.00 174.62 175.46 2klo s ARG 33 N 2.14 2.70 0.29 4.92 0.52 -1.26 -4.31 118.95 123.96 2klo s ARG 33 Ca 0.08 1.79 0.00 0.00 -0.52 0.00 0.00 55.73 57.07 2klo s ARG 33 Cb -0.16 -4.46 0.00 0.00 0.52 0.00 0.00 34.95 30.85 2klo s ARG 33 CO -0.30 -2.59 0.00 0.00 0.02 0.00 0.00 175.30 172.43 2klo h PRO 35 N 0.00 0.00 0.00 0.00 0.13 -2.06 -2.55 132.00 127.52 2klo h PRO 35 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2klo h PRO 35 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2klo h PRO 35 CO 0.00 0.02 0.03 1.05 -0.23 0.00 0.00 178.00 178.87 2klo h GLU 36 N 0.00 0.00 0.00 0.86 4.11 -1.91 -0.67 114.58 116.97 2klo h GLU 36 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2klo h GLU 36 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2klo h GLU 36 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 179.01 180.02 2klo n GLN 37 N -2.38 0.17 -0.34 1.06 7.27 -0.96 -3.48 117.38 118.73 2klo n GLN 37 Ca -0.02 0.49 0.22 0.00 0.07 0.00 0.00 57.00 57.76 2klo n GLN 37 Cb 0.07 -1.89 0.47 0.00 2.41 0.00 0.00 30.24 31.31 2klo n GLN 37 CO 0.00 0.00 0.00 1.05 0.07 0.00 0.00 177.06 178.18 2klo h GLU 38 N 0.00 0.43 -0.01 3.69 4.11 -1.37 0.34 114.58 121.76 2klo h GLU 38 Ca 0.00 -0.03 -0.15 0.00 0.07 0.00 0.00 59.36 59.25 2klo h GLU 38 Cb 0.23 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2klo h GLU 38 CO 0.00 0.28 -0.69 1.25 0.07 0.00 0.00 179.01 179.92 2klo h LEU 39 N 0.44 0.07 -0.03 3.06 5.85 -1.83 0.86 115.31 123.73 2klo h LEU 39 Ca 0.62 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.29 2klo h LEU 39 Cb 1.46 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.47 2klo h LEU 39 CO -0.37 0.74 -0.01 0.03 -0.34 0.00 0.00 178.44 178.50 2klo h ARG 40 N 0.04 0.05 -0.39 1.25 2.47 -1.19 -2.05 114.38 114.56 2klo h ARG 40 Ca -0.01 -0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.72 2klo h ARG 40 Cb 1.22 -0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.51 2klo h ARG 40 CO 0.09 0.40 0.18 -0.07 0.56 0.00 0.00 179.97 181.13 2klo h LEU 41 N -0.30 0.26 -1.69 3.04 3.38 -1.28 -0.37 115.31 118.35 2klo h LEU 41 Ca 0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2klo h LEU 41 Cb 0.38 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2klo h LEU 41 CO 0.00 0.19 0.10 -0.61 0.09 0.00 0.00 178.44 178.21 2klo h GLN 42 N 0.38 0.30 0.00 1.13 5.75 -0.74 0.11 115.11 122.03 2klo h GLN 42 Ca 0.17 -0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.57 2klo h GLN 42 Cb 0.09 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 2klo h GLN 42 CO -0.13 0.24 -0.69 0.00 -2.65 0.00 0.00 178.83 175.60 2klo h ARG 43 N 0.30 0.00 0.00 1.69 2.47 -0.62 -3.30 114.38 114.92 2klo h ARG 43 Ca 0.08 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 2klo h ARG 43 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 2klo h ARG 43 CO -0.01 0.25 -0.59 -0.07 0.56 0.00 0.00 179.97 180.12 2klo h LEU 44 N 0.00 0.00 -1.89 3.04 3.38 -0.07 -3.39 115.31 116.38 2klo h LEU 44 Ca -0.04 -0.04 0.28 0.00 0.09 0.00 0.00 57.88 58.18 2klo h LEU 44 Cb 1.28 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.99 2klo h LEU 44 CO 0.03 0.02 0.79 -0.33 0.09 0.00 0.00 178.44 179.05 2klo h GLU 45 N 0.00 0.00 -0.08 1.13 4.39 -1.10 -1.30 114.58 117.62 2klo h GLU 45 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 2klo h GLU 45 Cb 0.94 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 2klo h GLU 45 CO 0.00 0.00 -0.45 -0.09 -1.16 0.00 0.00 179.01 177.31 2klo h ARG 46 N 0.00 0.20 0.23 2.33 9.65 -1.84 -2.90 114.38 122.06 2klo h ARG 46 Ca 0.47 -0.10 -0.00 0.00 -1.10 0.00 0.00 59.98 59.24 2klo h ARG 46 Cb 2.04 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 30.60 2klo h ARG 46 CO -0.00 0.61 -0.39 -0.07 2.80 0.00 0.00 179.97 182.92 2klo h LEU 47 N 0.16 -1.13 -1.45 3.80 3.38 -1.56 -0.61 115.31 117.90 2klo h LEU 47 Ca 0.01 0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2klo h LEU 47 Cb 0.86 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2klo h LEU 47 CO 0.07 -0.46 -0.25 1.55 0.09 0.00 0.00 178.44 179.44 2klo h PRO 48 N -0.67 0.04 0.48 1.13 0.13 -1.74 -2.68 132.00 128.70 2klo h PRO 48 Ca -0.03 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 2klo h PRO 48 Cb 0.62 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.75 2klo h PRO 48 CO -0.14 0.29 -0.23 1.49 -0.23 0.00 0.00 178.00 179.19 2klo h GLU 49 N 0.04 -0.61 -0.23 0.86 4.57 -1.18 0.20 114.58 118.22 2klo h GLU 49 Ca 0.01 0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.27 2klo h GLU 49 Cb 0.46 0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 29.15 2klo h GLU 49 CO 0.03 -0.37 -0.00 -0.07 -1.18 0.00 0.00 179.01 177.42 2klo h LEU 50 N -0.71 -0.10 0.04 1.64 -0.00 -1.09 -0.24 115.31 114.84 2klo h LEU 50 Ca -0.07 0.05 0.03 0.00 -0.00 0.00 0.00 57.88 57.90 2klo h LEU 50 Cb 0.53 0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 41.24 2klo h LEU 50 CO 0.11 -0.02 -0.30 0.00 -0.00 0.00 0.00 178.44 178.22 2klo h ALA 51 N 1.20 -0.46 0.13 1.53 0.00 -1.38 -1.05 119.26 119.24 2klo h ALA 51 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2klo h ALA 51 Cb 0.14 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2klo h ALA 51 CO -0.19 -0.82 -0.13 0.00 0.00 0.00 0.00 179.25 178.11 2klo h ARG 52 N -0.47 -0.27 -0.25 0.00 3.08 -0.36 -2.32 114.38 113.78 2klo h ARG 52 Ca 0.05 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.17 2klo h ARG 52 Cb 0.54 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.61 2klo h ARG 52 CO -0.23 -0.18 -0.05 0.28 -1.07 0.00 0.00 179.97 178.71 2klo h VAL 53 N -0.28 0.76 -0.07 2.04 2.07 -0.87 -0.55 116.25 119.35 2klo h VAL 53 Ca 0.00 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2klo h VAL 53 Cb 0.27 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 2klo h VAL 53 CO -0.03 0.00 -0.27 0.25 0.02 0.00 0.00 177.57 177.54 2klo h LEU 54 N 0.01 -0.82 -1.68 2.57 5.85 -1.00 0.18 115.31 120.42 2klo h LEU 54 Ca 0.12 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 2klo h LEU 54 Cb 0.18 0.35 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 2klo h LEU 54 CO -0.25 -0.33 -0.16 0.08 -0.34 0.00 0.00 178.44 177.44 2klo h ARG 55 N -0.38 0.00 -0.58 1.25 0.11 -1.09 -1.08 114.38 112.62 2klo h ARG 55 Ca 0.08 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.11 2klo h ARG 55 Cb 0.50 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.55 2klo h ARG 55 CO -0.28 0.16 0.18 -0.97 0.10 0.00 0.00 179.97 179.15 2klo h ASN 56 N 0.00 0.85 0.16 0.08 -1.24 0.52 0.98 115.58 116.93 2klo h ASN 56 Ca -0.00 -0.21 -0.01 0.00 0.71 0.00 0.00 56.30 56.79 2klo h ASN 56 Cb 0.28 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.11 2klo h ASN 56 CO 0.02 0.84 -0.08 0.58 -1.29 0.00 0.00 177.43 177.50 2klo h VAL 57 N 0.82 0.94 -0.88 2.57 2.07 -0.22 -2.05 116.25 119.50 2klo h VAL 57 Ca 0.19 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.27 2klo h VAL 57 Cb 0.29 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 2klo h VAL 57 CO -0.00 0.11 0.58 -0.26 0.02 0.00 0.00 177.57 178.01 2klo h PHE 58 N -0.43 1.09 0.00 1.57 -1.00 -1.06 0.50 116.94 117.61 2klo h PHE 58 Ca -0.02 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.73 2klo h PHE 58 Cb 0.34 -0.37 -0.01 0.00 3.61 0.00 0.00 35.95 39.52 2klo h PHE 58 CO -0.00 0.68 -0.26 -0.24 -1.61 0.00 0.00 178.31 176.88 2klo h VAL 59 N 1.17 0.85 0.00 -0.55 3.04 -0.72 -2.90 116.25 117.15 2klo h VAL 59 Ca 0.33 -1.03 -0.23 0.00 -1.01 0.00 0.00 66.70 64.76 2klo h VAL 59 Cb -0.11 1.61 -0.04 0.00 -2.01 0.00 0.00 31.29 30.75 2klo h VAL 59 CO -0.08 0.26 -1.35 -1.28 -1.01 0.00 0.00 177.57 174.10 2klo h SER 60 N 0.00 0.00 0.30 3.17 0.87 -0.51 -3.34 113.55 114.03 2klo h SER 60 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2klo h SER 60 Cb 0.59 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2klo h SER 60 CO 0.03 0.88 -0.07 -0.08 -0.53 0.00 0.00 176.83 177.06 2klo h GLU 61 N 0.00 0.00 0.00 2.24 4.57 -0.73 -3.46 114.58 117.20 2klo h GLU 61 Ca -0.16 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 2klo h GLU 61 Cb 1.81 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.40 2klo h GLU 61 CO 0.09 0.07 0.00 -2.13 -1.18 0.00 0.00 179.01 175.85 2klo n ARG 62 N -3.54 -0.50 -3.76 1.92 0.63 -1.22 -4.97 116.66 105.21 2klo n ARG 62 Ca -0.02 0.13 -0.28 0.00 -0.92 0.00 0.00 57.85 56.75 2klo n ARG 62 Cb 0.19 -3.77 -0.16 0.00 0.45 0.00 0.00 32.46 29.16 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 -0.77 0.79 0.02 -0.14 -2.85 -1.26 -5.03 119.74 110.51 2klo s LYS 63 Ca 0.00 -0.64 0.07 0.00 -1.00 0.00 0.00 55.97 54.40 2klo s LYS 63 Cb 0.00 -2.14 0.32 0.00 -2.06 0.00 0.00 37.83 33.95 2klo s LYS 63 CO 0.00 -0.71 1.22 -0.35 0.10 0.00 0.00 175.35 175.61 2klo n PRO 64 N 4.96 0.01 -4.08 1.78 -0.04 -1.26 -4.42 135.00 131.95 2klo n PRO 64 Ca -0.08 0.41 -0.32 0.00 -0.04 0.00 0.00 63.50 63.47 2klo n PRO 64 Cb 0.46 -1.54 -0.16 0.00 -0.04 0.00 0.00 33.50 32.22 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 -3.04 2.19 0.18 0.55 0.00 -1.26 -2.79 121.76 117.59 2klo s ALA 65 Ca 0.03 -1.15 0.11 0.00 0.00 0.00 0.00 51.96 50.94 2klo s ALA 65 Cb 0.04 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 2klo s ALA 65 CO 0.12 -0.41 -0.20 -0.51 0.00 0.00 0.00 175.76 174.76 2klo s LEU 66 N 1.35 2.58 0.59 0.00 1.43 -0.03 -4.96 118.68 119.64 2klo s LEU 66 Ca 0.04 -0.77 -0.17 0.00 -1.03 0.00 0.00 54.13 52.20 2klo s LEU 66 Cb -0.13 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 2klo s LEU 66 CO -0.12 0.12 1.09 -0.89 0.23 0.00 0.00 176.35 176.78 2klo s THR 67 N -1.63 3.46 0.26 5.49 2.01 -1.26 -0.46 115.64 123.50 2klo s THR 67 Ca 0.21 0.77 -0.02 0.00 0.31 0.00 0.00 61.69 62.96 2klo s THR 67 Cb -0.08 -3.28 0.23 0.00 0.01 0.00 0.00 72.50 69.38 2klo s THR 67 CO 0.11 -0.33 1.77 -0.03 -0.69 0.00 0.00 174.62 175.45 2klo h MET 68 N 0.65 0.62 -0.73 4.92 4.05 -1.41 -1.29 114.93 121.74 2klo h MET 68 Ca -0.48 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 58.88 2klo h MET 68 Cb 1.24 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.87 2klo h MET 68 CO 0.56 0.41 0.35 1.49 0.23 0.00 0.00 176.91 179.96 2klo h GLU 69 N 0.64 1.05 0.48 0.39 4.81 -1.92 -1.59 114.58 118.44 2klo h GLU 69 Ca 0.44 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.49 2klo h GLU 69 Cb 0.58 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2klo h GLU 69 CO -0.34 0.82 -0.23 0.28 -0.73 0.00 0.00 179.01 178.81 2klo h VAL 70 N 1.02 0.52 -0.21 0.32 2.07 -1.61 0.26 116.25 118.62 2klo h VAL 70 Ca 0.25 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 2klo h VAL 70 Cb 0.12 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2klo h VAL 70 CO -0.03 0.02 0.05 1.62 0.02 0.00 0.00 177.57 179.25 2klo h VAL 71 N -0.71 1.11 0.63 2.57 3.04 -1.40 -0.96 116.25 120.54 2klo h VAL 71 Ca -0.07 -0.38 -0.03 0.00 -1.01 0.00 0.00 66.70 65.21 2klo h VAL 71 Cb 0.52 0.89 0.01 0.00 -2.01 0.00 0.00 31.29 30.70 2klo h VAL 71 CO 0.11 0.13 -0.30 0.00 -1.01 0.00 0.00 177.57 176.50 2klo h ALA 73 N -0.91 0.28 -0.74 0.00 0.00 -0.76 -1.22 119.26 115.90 2klo h ALA 73 Ca -0.09 0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.06 2klo h ALA 73 Cb 0.70 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 2klo h ALA 73 CO 0.14 -0.41 0.50 0.00 0.00 0.00 0.00 179.25 179.48 2klo h ARG 74 N 0.08 0.40 0.13 0.00 2.47 -1.13 0.79 114.38 117.12 2klo h ARG 74 Ca 0.15 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.84 2klo h ARG 74 Cb 0.21 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 2klo h ARG 74 CO -0.27 0.27 -0.06 1.98 0.56 0.00 0.00 179.97 182.45 2klo h MET 75 N 0.42 -0.17 -0.01 0.04 4.05 -0.09 -3.27 114.93 115.89 2klo h MET 75 Ca 0.36 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.77 2klo h MET 75 Cb 0.83 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.66 2klo h MET 75 CO -0.12 0.27 -0.12 -0.24 0.23 0.00 0.00 176.91 176.94 2klo h VAL 76 N -0.91 1.09 0.00 -5.77 3.04 -0.95 -1.26 116.25 111.49 2klo h VAL 76 Ca -0.02 -0.45 -0.00 0.00 -1.01 0.00 0.00 66.70 65.22 2klo h VAL 76 Cb 0.52 1.22 -0.00 0.00 -2.01 0.00 0.00 31.29 31.02 2klo h VAL 76 CO 0.03 0.13 -0.02 0.44 -1.01 0.00 0.00 177.57 177.14 2klo h ASP 77 N 0.02 0.00 0.02 3.17 3.32 -0.94 -0.07 116.42 121.94 2klo h ASP 77 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2klo h ASP 77 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2klo h ASP 77 CO 0.02 0.02 -0.02 -0.24 -1.72 0.00 0.00 179.24 177.30 2klo n SER 78 N -3.48 1.01 0.03 6.45 2.88 -0.48 -4.13 113.62 115.89 2klo n SER 78 Ca -0.03 -1.29 0.04 0.00 -1.33 0.00 0.00 58.87 56.27 2klo n SER 78 Cb 0.11 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 63.77 2klo n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2klo n GLN 80 N -1.63 1.92 0.00 0.00 -0.00 -1.26 -2.44 117.38 113.97 2klo n GLN 80 Ca 0.01 -1.91 0.00 0.00 -0.00 0.00 0.00 57.00 55.11 2klo n GLN 80 Cb 0.08 -2.88 0.00 0.00 -0.00 0.00 0.00 30.24 27.43 2klo n GLN 80 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 2klo n THR 81 N 5.41 0.00 -1.63 -0.39 5.66 -1.26 -5.10 114.28 116.98 2klo n THR 81 Ca 0.50 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.50 2klo n THR 81 Cb 0.34 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.12 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 -0.06 -3.02 -2.16 1.79 0.00 -1.02 -5.14 120.51 110.90 2klo n ALA 82 Ca 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 2klo n ALA 82 Cb 0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.70 1.63 0.56 0.00 0.05 -1.26 -5.16 118.68 113.80 2klo s LEU 83 Ca 0.01 -1.25 -0.18 0.00 0.05 0.00 0.00 54.13 52.76 2klo s LEU 83 Cb -0.00 0.31 -0.05 0.00 -2.05 0.00 0.00 46.19 44.40 2klo s LEU 83 CO 0.08 -0.75 1.08 -0.44 -0.55 0.00 0.00 176.35 175.77 2klo s SER 84 N -3.08 5.78 0.35 1.48 0.01 -1.26 -4.95 113.70 112.04 2klo s SER 84 Ca 0.28 1.99 0.04 0.00 1.31 0.00 0.00 55.95 59.56 2klo s SER 84 Cb 0.07 -2.56 0.64 0.00 0.21 0.00 0.00 66.02 64.39 2klo s SER 84 CO 0.04 -1.17 1.92 1.55 0.41 0.00 0.00 173.24 175.99 2klo h PRO 85 N 0.87 0.58 0.00 12.44 0.13 -2.01 -1.98 132.00 142.04 2klo h PRO 85 Ca -0.48 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 2klo h PRO 85 Cb 1.24 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2klo h PRO 85 CO 0.57 0.53 0.00 0.78 -0.23 0.00 0.00 178.00 179.65 2klo h GLY 86 N 0.79 0.00 1.04 1.56 0.00 -2.00 -2.95 103.07 101.52 2klo h GLY 86 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.41 2klo h GLY 86 CO -0.01 0.00 0.25 0.83 0.00 0.00 0.00 176.54 177.62 2klo h GLU 87 N 0.00 1.11 -0.77 4.80 4.39 -1.73 0.84 114.58 123.22 2klo h GLU 87 Ca 0.00 -0.23 0.03 0.00 0.34 0.00 0.00 59.36 59.51 2klo h GLU 87 Cb 0.49 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 28.93 2klo h GLU 87 CO 0.00 0.94 0.49 1.98 -1.16 0.00 0.00 179.01 181.26 2klo h MET 88 N 1.06 0.92 0.59 2.33 4.05 -1.66 -0.32 114.93 121.91 2klo h MET 88 Ca 0.24 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.57 2klo h MET 88 Cb 0.27 -0.21 0.01 0.00 -0.80 0.00 0.00 31.60 30.87 2klo h MET 88 CO -0.01 0.61 -0.28 0.93 0.23 0.00 0.00 176.91 178.39 2klo h GLU 89 N 0.95 -0.76 0.00 0.39 5.08 -1.53 -2.70 114.58 116.00 2klo h GLU 89 Ca 0.31 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2klo h GLU 89 Cb 0.03 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2klo h GLU 89 CO -0.12 -0.51 0.23 0.87 -1.00 0.00 0.00 179.01 178.49 2klo h LYS 90 N -1.09 0.00 0.12 2.33 1.57 -0.67 -2.39 116.57 116.44 2klo h LYS 90 Ca -0.08 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2klo h LYS 90 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2klo h LYS 90 CO 0.13 0.00 -0.06 1.25 -0.57 0.00 0.00 179.45 180.20 2klo h HIS 91 N 0.00 -0.15 0.00 -1.35 -0.00 -0.96 -0.20 115.15 112.49 2klo h HIS 91 Ca 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 2klo h HIS 91 Cb 0.46 0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 27.92 2klo h HIS 91 CO 0.00 0.07 -0.03 1.37 -0.00 0.00 0.00 177.93 179.34 2klo h LEU 92 N -1.02 0.00 0.11 0.26 8.10 -1.11 -1.88 115.31 119.78 2klo h LEU 92 Ca -0.02 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.81 2klo h LEU 92 Cb 0.29 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.53 2klo h LEU 92 CO 0.03 0.03 -0.71 0.58 -4.11 0.00 0.00 178.44 174.26 2klo h VAL 93 N 0.00 1.53 -0.60 0.15 2.07 -1.52 -2.72 116.25 115.17 2klo h VAL 93 Ca -0.00 -2.47 0.03 0.00 0.82 0.00 0.00 66.70 65.08 2klo h VAL 93 Cb 0.09 3.16 -0.04 0.00 -1.52 0.00 0.00 31.29 32.99 2klo h VAL 93 CO 0.00 0.70 0.35 0.17 0.02 0.00 0.00 177.57 178.81 2klo h LEU 94 N -0.41 0.56 0.72 2.57 8.10 -0.42 0.45 115.31 126.90 2klo h LEU 94 Ca -0.12 0.01 -0.04 0.00 0.11 0.00 0.00 57.88 57.84 2klo h LEU 94 Cb 1.55 -0.11 0.01 0.00 -0.44 0.00 0.00 40.66 41.67 2klo h LEU 94 CO 0.13 0.39 -0.35 -0.07 -4.11 0.00 0.00 178.44 174.43 2klo h LEU 95 N 0.69 -0.82 -2.27 0.17 3.38 -1.46 0.30 115.31 115.29 2klo h LEU 95 Ca 0.25 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 2klo h LEU 95 Cb 0.06 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2klo h LEU 95 CO -0.12 -0.53 -0.02 0.00 0.09 0.00 0.00 178.44 177.86 2klo h ALA 96 N -0.85 1.65 0.02 1.53 0.00 -1.29 -1.27 119.26 119.06 2klo h ALA 96 Ca -0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2klo h ALA 96 Cb 0.77 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2klo h ALA 96 CO 0.16 0.02 -0.25 1.49 0.00 0.00 0.00 179.25 180.67 2klo h GLU 97 N 0.00 0.04 0.00 0.00 4.57 -0.63 -2.68 114.58 115.89 2klo h GLU 97 Ca -0.00 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2klo h GLU 97 Cb 0.03 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2klo h GLU 97 CO 0.00 1.04 0.00 1.28 -1.18 0.00 0.00 179.01 180.15 2klo n LEU 98 N -4.52 0.00 -2.72 1.64 4.32 0.07 -4.32 117.00 111.47 2klo n LEU 98 Ca -0.13 0.41 -0.05 0.00 -0.02 0.00 0.00 56.01 56.22 2klo n LEU 98 Cb 0.55 -0.41 0.04 0.00 -1.62 0.00 0.00 43.42 41.98 2klo n LEU 98 CO 0.35 -0.11 0.29 0.00 -1.22 0.00 0.00 177.39 176.70 2klo n LEU 99 N -1.41 -2.55 0.05 2.23 -0.00 -0.49 -4.83 117.00 110.01 2klo n LEU 99 Ca 0.07 -2.48 0.04 0.00 -0.00 0.00 0.00 56.01 53.65 2klo n LEU 99 Cb 0.22 0.71 0.21 0.00 -0.00 0.00 0.00 43.42 44.56 2klo n LEU 99 CO 0.18 1.75 0.62 -0.81 -0.00 0.00 0.00 177.39 179.14 2klo n PRO 100 N 2.23 0.05 0.13 1.47 -0.04 -1.01 -2.43 135.00 135.40 2klo n PRO 100 Ca 0.11 0.53 0.12 0.00 -0.04 0.00 0.00 63.50 64.22 2klo n PRO 100 Cb 0.62 -1.65 0.15 0.00 -0.04 0.00 0.00 33.50 32.58 2klo n PRO 100 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2klo h ASP 101 N 0.00 0.00 0.00 3.54 3.58 -1.92 -3.39 116.42 118.23 2klo h ASP 101 Ca 0.00 -0.05 -0.12 0.00 0.42 0.00 0.00 57.03 57.28 2klo h ASP 101 Cb 0.02 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 2klo h ASP 101 CO 0.00 0.03 -0.70 -0.25 -2.88 0.00 0.00 179.24 175.43 2klo h TRP 102 N 0.00 0.00 -3.77 0.28 7.01 -1.85 -3.47 115.95 114.16 2klo h TRP 102 Ca 0.00 0.00 -0.48 0.00 2.11 0.00 0.00 58.89 60.52 2klo h TRP 102 Cb 0.90 0.00 0.05 0.00 -2.10 0.00 0.00 29.16 28.01 2klo h TRP 102 CO 0.00 1.10 0.20 -1.17 -2.79 0.00 0.00 178.44 175.78 2klo s LEU 103 N -8.06 3.31 0.01 0.65 2.96 -1.26 -2.91 118.68 113.38 2klo s LEU 103 Ca -0.23 0.87 -0.22 0.00 -0.22 0.00 0.00 54.13 54.34 2klo s LEU 103 Cb 0.02 -3.74 0.05 0.00 0.50 0.00 0.00 46.19 43.01 2klo s LEU 103 CO 0.55 -0.95 0.48 -0.55 -1.32 0.00 0.00 176.35 174.57 2klo s SER 104 N -4.25 -0.39 -0.03 3.68 0.15 -0.35 -4.93 113.70 107.57 2klo s SER 104 Ca 0.53 0.23 0.03 0.00 0.70 0.00 0.00 55.95 57.43 2klo s SER 104 Cb -0.11 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2klo s SER 104 CO 0.46 -0.62 -0.12 -0.76 1.20 0.00 0.00 173.24 173.40 2klo s LEU 105 N -1.68 1.81 -0.19 3.45 1.43 -1.26 -1.05 118.68 121.19 2klo s LEU 105 Ca -0.08 -0.25 -0.04 0.00 -1.03 0.00 0.00 54.13 52.73 2klo s LEU 105 Cb -0.02 -0.70 0.09 0.00 0.03 0.00 0.00 46.19 45.60 2klo s LEU 105 CO 0.02 0.09 0.30 -1.38 0.23 0.00 0.00 176.35 175.61 2klo s HIS 106 N 0.18 -0.53 0.34 0.29 -3.43 -0.45 -5.00 115.29 106.67 2klo s HIS 106 Ca -0.04 0.79 -0.25 0.00 -0.80 0.00 0.00 55.06 54.76 2klo s HIS 106 Cb -0.10 -0.07 -0.10 0.00 -1.43 0.00 0.00 32.58 30.88 2klo s HIS 106 CO 0.01 -0.54 0.96 0.50 -2.00 0.00 0.00 174.74 173.67 2klo s ARG 107 N 2.45 4.51 0.14 -0.38 3.52 -1.26 -1.64 118.95 126.29 2klo s ARG 107 Ca 0.06 1.34 0.06 0.00 -0.13 0.00 0.00 55.73 57.05 2klo s ARG 107 Cb -0.14 -2.72 -0.04 0.00 -1.56 0.00 0.00 34.95 30.49 2klo s ARG 107 CO -0.12 0.21 -0.14 0.42 -0.81 0.00 0.00 175.30 174.86 2klo s ILE 108 N -1.66 1.38 -1.83 4.11 -1.09 0.23 -4.94 121.20 117.39 2klo s ILE 108 Ca 0.52 -1.84 0.01 0.00 -2.23 0.00 0.00 60.65 57.11 2klo s ILE 108 Cb -0.18 -1.66 0.02 0.00 -1.58 0.00 0.00 42.46 39.06 2klo s ILE 108 CO 0.23 -0.48 0.63 -2.11 -1.23 0.00 0.00 174.94 171.99 2klo n ARG 109 N 0.30 0.02 -0.03 2.79 0.00 -1.26 -1.57 116.66 116.92 2klo n ARG 109 Ca -0.14 0.08 -0.03 0.00 -0.00 0.00 0.00 57.85 57.77 2klo n ARG 109 Cb 0.58 -1.50 -0.04 0.00 -0.00 0.00 0.00 32.46 31.49 2klo n ARG 109 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 2klo n THR 110 N -1.09 0.40 0.00 8.89 5.66 -1.26 -5.13 114.28 121.76 2klo n THR 110 Ca 0.01 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 60.77 2klo n THR 110 Cb 0.00 -0.83 0.00 0.00 -1.55 0.00 0.00 70.33 67.95 2klo n THR 110 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2klo n ASP 111 N -2.28 0.00 -4.85 1.09 2.03 -0.61 -5.16 116.55 106.77 2klo n ASP 111 Ca -0.10 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.85 2klo n ASP 111 Cb 0.68 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 41.02 2klo n ASP 111 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2klo s THR 112 N -2.00 4.97 0.15 5.18 2.01 -1.26 -0.60 115.64 124.09 2klo s THR 112 Ca 0.00 0.75 0.06 0.00 0.31 0.00 0.00 61.69 62.81 2klo s THR 112 Cb 0.00 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 2klo s THR 112 CO 0.00 0.39 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.88 2klo s TYR 113 N -1.30 1.41 0.07 4.92 1.51 -0.65 -1.05 117.35 122.26 2klo s TYR 113 Ca 0.31 -0.66 0.09 0.00 -1.01 0.00 0.00 57.07 55.81 2klo s TYR 113 Cb -0.16 -0.70 -0.03 0.00 -0.11 0.00 0.00 41.96 40.96 2klo s TYR 113 CO 0.17 0.17 -0.24 0.08 -1.11 0.00 0.00 175.55 174.61 2klo s VAL 114 N -2.92 1.99 0.07 0.71 1.01 0.39 -1.35 120.40 120.31 2klo s VAL 114 Ca 0.16 -1.44 0.07 0.00 0.00 0.00 0.00 61.98 60.76 2klo s VAL 114 Cb -0.00 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 2klo s VAL 114 CO 0.03 0.21 -0.18 -0.54 0.00 0.00 0.00 175.10 174.62 2klo s LYS 115 N -1.49 1.09 0.18 2.72 1.02 -0.22 -0.85 119.74 122.19 2klo s LYS 115 Ca 0.10 -0.99 0.02 0.00 0.02 0.00 0.00 55.97 55.13 2klo s LYS 115 Cb -0.10 -1.21 -0.05 0.00 -0.52 0.00 0.00 37.83 35.95 2klo s LYS 115 CO 0.03 0.29 0.00 -1.17 -0.92 0.00 0.00 175.35 173.59 2klo s LEU 116 N -1.54 2.10 -0.43 3.17 1.98 -1.12 -1.22 118.68 121.63 2klo s LEU 116 Ca 0.04 -1.18 0.04 0.00 -2.89 0.00 0.00 54.13 50.14 2klo s LEU 116 Cb -0.09 -0.06 0.11 0.00 0.66 0.00 0.00 46.19 46.81 2klo s LEU 116 CO 0.03 -0.57 0.15 -1.81 -1.89 0.00 0.00 176.35 172.26 2klo s ASP 117 N -3.18 4.55 0.37 3.68 1.01 -1.15 -4.92 116.67 117.02 2klo s ASP 117 Ca 0.25 -2.57 0.27 0.00 0.71 0.00 0.00 52.55 51.21 2klo s ASP 117 Cb 0.06 -1.63 1.10 0.00 1.01 0.00 0.00 42.92 43.46 2klo s ASP 117 CO 0.04 -0.31 1.81 0.11 0.21 0.00 0.00 175.17 177.04 2klo h LYS 118 N 7.08 0.00 -0.14 8.23 1.57 -1.95 -3.20 116.57 128.17 2klo h LYS 118 Ca -0.06 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.56 2klo h LYS 118 Cb 0.96 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 2klo h LYS 118 CO 0.60 0.00 -0.61 0.00 -0.57 0.00 0.00 179.45 178.87 2klo h ALA 119 N 2.18 0.69 -3.06 3.86 0.00 -2.01 -3.46 119.26 117.45 2klo h ALA 119 Ca 0.00 -0.54 -0.55 0.00 0.00 0.00 0.00 54.91 53.81 2klo h ALA 119 Cb 0.45 -0.07 0.15 0.00 0.00 0.00 0.00 17.79 18.31 2klo h ALA 119 CO 0.00 0.71 0.57 0.08 0.00 0.00 0.00 179.25 180.61 2klo s VAL 120 N -3.85 2.04 -0.23 0.00 1.01 -1.21 -4.94 120.40 113.21 2klo s VAL 120 Ca -0.06 0.03 -0.27 0.00 0.00 0.00 0.00 61.98 61.68 2klo s VAL 120 Cb 0.11 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.48 2klo s VAL 120 CO 0.83 -0.00 0.92 -0.62 0.00 0.00 0.00 175.10 176.24 2klo s ASP 121 N -1.13 6.97 0.54 3.32 -1.08 -1.26 -4.93 116.67 119.10 2klo s ASP 121 Ca 0.76 1.21 0.21 0.00 -0.52 0.00 0.00 52.55 54.21 2klo s ASP 121 Cb -0.39 -2.49 1.42 0.00 -1.46 0.00 0.00 42.92 40.00 2klo s ASP 121 CO 0.45 -0.57 2.14 0.25 0.52 0.00 0.00 175.17 177.96 2klo h LEU 122 N 9.17 0.00 -0.45 -1.34 7.12 -1.94 -2.11 115.31 125.76 2klo h LEU 122 Ca -0.22 0.00 0.02 0.00 0.13 0.00 0.00 57.88 57.81 2klo h LEU 122 Cb 1.08 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.18 2klo h LEU 122 CO 0.91 0.00 0.27 0.00 -0.13 0.00 0.00 178.44 179.49 2klo h ALA 123 N 1.94 0.57 -0.41 1.25 0.00 -1.99 0.16 119.26 120.79 2klo h ALA 123 Ca 0.04 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 2klo h ALA 123 Cb 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2klo h ALA 123 CO -0.00 -0.04 -0.33 0.78 0.00 0.00 0.00 179.25 179.66 2klo h GLY 124 N 0.54 1.02 0.92 0.00 0.00 -1.81 -2.61 103.07 101.12 2klo h GLY 124 Ca 0.18 -0.99 -0.01 0.00 0.00 0.00 0.00 47.33 46.51 2klo h GLY 124 CO -0.08 0.89 -0.11 1.41 0.00 0.00 0.00 176.54 178.65 2klo h LEU 125 N 0.78 -0.26 -0.66 3.11 3.38 -1.00 -1.74 115.31 118.92 2klo h LEU 125 Ca 0.08 -0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.12 2klo h LEU 125 Cb 0.91 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.63 2klo h LEU 125 CO 0.08 -0.11 0.12 0.74 0.09 0.00 0.00 178.44 179.36 2klo h THR 126 N -0.40 0.56 0.86 0.22 2.02 -0.69 -0.53 112.91 114.96 2klo h THR 126 Ca -0.03 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 2klo h THR 126 Cb 0.30 0.31 0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2klo h THR 126 CO 0.05 0.04 -0.41 0.00 0.37 0.00 0.00 175.52 175.57 2klo h ALA 127 N 1.55 -1.16 -0.59 6.16 0.00 -1.22 -2.41 119.26 121.60 2klo h ALA 127 Ca 0.35 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 55.12 2klo h ALA 127 Cb 0.57 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2klo h ALA 127 CO -0.47 -1.09 0.40 0.07 0.00 0.00 0.00 179.25 178.16 2klo h ARG 128 N -1.29 0.31 0.82 0.00 0.11 -1.00 -0.50 114.38 112.84 2klo h ARG 128 Ca -0.12 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 59.90 2klo h ARG 128 Cb 0.89 -0.07 0.01 0.00 1.11 0.00 0.00 29.97 31.91 2klo h ARG 128 CO 0.19 0.21 -0.40 -0.07 0.10 0.00 0.00 179.97 180.01 2klo h LEU 129 N 0.32 -0.94 -0.32 0.08 3.38 -1.03 -2.78 115.31 114.02 2klo h LEU 129 Ca 0.28 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2klo h LEU 129 Cb 0.65 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2klo h LEU 129 CO -0.07 -0.58 0.00 0.00 0.09 0.00 0.00 178.44 177.88 2klo n ALA 130 N -2.69 1.27 -0.04 1.53 0.00 -0.89 -2.49 120.51 117.20 2klo n ALA 130 Ca -0.14 0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.35 2klo n ALA 130 Cb 0.44 -1.16 0.36 0.00 0.00 0.00 0.00 19.45 19.08 2klo n ALA 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2klo h HIS 131 N 0.00 0.60 -7.05 0.00 6.17 -0.81 -3.47 115.15 110.60 2klo h HIS 131 Ca 0.00 -0.01 -0.61 0.00 0.71 0.00 0.00 60.37 60.47 2klo h HIS 131 Cb 0.11 -0.20 -0.22 0.00 2.52 0.00 0.00 27.41 29.63 2klo h HIS 131 CO 0.00 0.43 -0.95 0.72 0.71 0.00 0.00 177.93 178.84 2klo n HIS 132 N -4.41 -1.29 -0.11 5.26 -0.00 -1.04 -4.88 115.22 108.75 2klo n HIS 132 Ca 0.04 0.64 -0.12 0.00 -0.00 0.00 0.00 57.72 58.27 2klo n HIS 132 Cb 0.10 -2.77 -0.03 0.00 -0.00 0.00 0.00 29.99 27.29 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 -1.68 1.29 0.00 1.59 2.07 -1.89 -3.34 116.25 114.29 2klo h VAL 133 Ca -0.65 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 65.58 2klo h VAL 133 Cb 1.40 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2klo h VAL 133 CO 0.73 0.42 -0.57 0.00 0.02 0.00 0.00 177.57 178.17 2klo n HIS 134 N -4.33 0.00 -0.64 1.57 1.44 -1.26 -5.06 115.22 106.94 2klo n HIS 134 Ca -0.03 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.39 2klo n HIS 134 Cb 0.40 -0.04 0.26 0.00 0.12 0.00 0.00 29.99 30.73 2klo n HIS 134 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2klo s ALA 135 N -1.83 -0.29 0.00 1.59 0.00 -1.26 -5.03 121.76 114.94 2klo s ALA 135 Ca 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2klo s ALA 135 Cb 0.05 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.10 2klo s ALA 135 CO 0.27 -3.99 0.00 -0.85 0.00 0.00 0.00 175.76 171.18 2klo n GLU 136 N -5.09 1.12 0.00 0.00 0.28 -1.26 -5.03 120.64 110.66 2klo n GLU 136 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 2klo n GLU 136 Cb 0.58 -0.54 0.00 0.00 1.43 0.00 0.00 31.44 32.91 2klo n GLU 136 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2klo n GLY 137 N 0.61 0.00 0.00 -1.84 0.00 -1.26 -5.23 105.19 97.47 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 1.47 0.00 0.00 0.00 173.32 174.79