#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 -0.70 0.14 0.55 0.00 -1.26 -5.19 121.76 115.29 2klo s ALA 2 Ca 0.00 -0.54 -0.19 0.00 0.00 0.00 0.00 51.96 51.23 2klo s ALA 2 Cb 0.00 0.95 0.05 0.00 0.00 0.00 0.00 23.12 24.11 2klo s ALA 2 CO 0.00 -0.89 0.47 0.00 0.00 0.00 0.00 175.76 175.34 2klo s ALA 3 N -3.95 -1.18 -0.44 0.00 0.00 -1.26 -5.13 121.76 109.80 2klo s ALA 3 Ca 0.16 0.16 0.07 0.00 0.00 0.00 0.00 51.96 52.34 2klo s ALA 3 Cb -0.02 0.75 0.22 0.00 0.00 0.00 0.00 23.12 24.08 2klo s ALA 3 CO 0.05 -0.68 0.63 -1.13 0.00 0.00 0.00 175.76 174.63 2klo n SER 4 N -0.26 -1.40 -4.80 0.00 3.41 -1.26 -5.15 113.62 104.16 2klo n SER 4 Ca -0.16 -2.86 -0.29 0.00 -0.26 0.00 0.00 58.87 55.29 2klo n SER 4 Cb 0.64 0.47 0.11 0.00 -0.26 0.00 0.00 64.21 65.17 2klo n SER 4 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2klo s PRO 5 N -0.10 1.73 0.16 4.33 0.04 -1.26 -5.10 135.00 134.80 2klo s PRO 5 Ca 0.33 0.51 -0.18 0.00 0.04 0.00 0.00 61.00 61.70 2klo s PRO 5 Cb 0.14 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.83 2klo s PRO 5 CO -0.16 -1.84 0.49 -1.54 0.04 0.00 0.00 177.00 173.99 2klo s SER 6 N -3.95 -0.31 -0.39 6.66 1.04 -1.26 -5.13 113.70 110.36 2klo s SER 6 Ca 0.62 -0.33 0.03 0.00 0.48 0.00 0.00 55.95 56.75 2klo s SER 6 Cb -0.15 0.54 0.16 0.00 0.10 0.00 0.00 66.02 66.68 2klo s SER 6 CO 0.54 -0.96 0.37 0.00 0.98 0.00 0.00 173.24 174.17 2klo s ALA 7 N -3.82 -0.03 -0.10 5.32 0.00 -1.26 -4.97 121.76 116.89 2klo s ALA 7 Ca 0.05 -1.35 0.14 0.00 0.00 0.00 0.00 51.96 50.80 2klo s ALA 7 Cb 0.00 -1.96 0.27 0.00 0.00 0.00 0.00 23.12 21.43 2klo s ALA 7 CO -0.08 -2.12 1.13 1.28 0.00 0.00 0.00 175.76 175.97 2klo n LEU 8 N 3.84 1.72 -2.51 0.00 4.77 -1.26 -4.94 117.00 118.63 2klo n LEU 8 Ca 0.15 -2.66 -0.13 0.00 -0.03 0.00 0.00 56.01 53.34 2klo n LEU 8 Cb 0.45 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 2klo n LEU 8 CO 0.09 0.74 1.66 0.29 -1.33 0.00 0.00 177.39 178.83 2klo n LYS 9 N -0.79 1.65 -0.66 3.23 4.76 -1.26 -4.72 118.16 120.37 2klo n LYS 9 Ca 0.12 -0.96 -0.05 0.00 -2.87 0.00 0.00 58.31 54.55 2klo n LYS 9 Cb 0.73 -2.05 -0.01 0.00 -1.84 0.00 0.00 35.03 31.86 2klo n LYS 9 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2klo n GLY 10 N 3.01 2.93 3.25 0.72 0.00 -1.26 -4.76 105.19 109.09 2klo n GLY 10 Ca 0.35 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.42 -0.02 -0.86 1.61 0.11 -1.26 -5.06 120.40 114.50 2klo s VAL 11 Ca 0.15 0.06 0.13 0.00 -2.93 0.00 0.00 61.98 59.39 2klo s VAL 11 Cb 0.09 -0.56 0.40 0.00 -1.53 0.00 0.00 36.38 34.78 2klo s VAL 11 CO -0.01 0.02 1.33 -1.54 -3.33 0.00 0.00 175.10 171.58 2klo n SER 12 N 3.69 3.31 -0.07 3.54 3.41 -1.26 -4.72 113.62 121.52 2klo n SER 12 Ca -0.19 -2.23 -0.07 0.00 -0.26 0.00 0.00 58.87 56.11 2klo n SER 12 Cb 0.56 -0.33 -0.01 0.00 -0.26 0.00 0.00 64.21 64.17 2klo n SER 12 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2klo h GLN 13 N 2.27 -0.18 -0.46 4.33 1.08 -1.99 -1.22 115.11 118.94 2klo h GLN 13 Ca 0.00 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.18 2klo h GLN 13 Cb 0.94 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.39 2klo h GLN 13 CO 0.06 -0.12 0.14 0.00 -0.95 0.00 0.00 178.83 177.96 2klo h ALA 14 N 0.95 1.39 0.00 3.87 0.00 -1.99 -1.61 119.26 121.88 2klo h ALA 14 Ca 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2klo h ALA 14 Cb 0.43 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2klo h ALA 14 CO -0.41 0.45 -0.11 -0.07 0.00 0.00 0.00 179.25 179.11 2klo h LEU 15 N 0.66 0.00 0.03 0.00 -0.00 -1.57 -0.04 115.31 114.38 2klo h LEU 15 Ca 0.15 0.00 -0.32 0.00 -0.00 0.00 0.00 57.88 57.71 2klo h LEU 15 Cb 0.20 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.81 2klo h LEU 15 CO -0.01 0.11 -1.89 0.18 -0.00 0.00 0.00 178.44 176.83 2klo n LEU 16 N -3.54 1.30 0.05 1.67 4.77 -0.72 -4.27 117.00 116.25 2klo n LEU 16 Ca -0.02 0.29 -0.08 0.00 -0.03 0.00 0.00 56.01 56.18 2klo n LEU 16 Cb 0.24 -0.16 -0.12 0.00 -2.33 0.00 0.00 43.42 41.05 2klo n LEU 16 CO 0.29 0.54 -0.00 1.05 -1.33 0.00 0.00 177.39 177.94 2klo h GLU 17 N 0.02 0.01 0.00 3.23 4.11 -1.11 -3.29 114.58 117.54 2klo h GLU 17 Ca -0.36 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.05 2klo h GLU 17 Cb 2.04 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.30 2klo h GLU 17 CO 0.07 0.91 0.00 0.07 0.07 0.00 0.00 179.01 180.13 2klo h ARG 18 N 0.00 0.00 0.15 1.06 0.11 -1.19 -3.19 114.38 111.32 2klo h ARG 18 Ca -0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.01 2klo h ARG 18 Cb 1.83 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.88 2klo h ARG 18 CO 0.12 0.00 -0.36 0.82 0.10 0.00 0.00 179.97 180.65 2klo h ILE 19 N 0.00 0.00 -0.64 0.08 2.04 -1.74 -0.87 117.51 116.37 2klo h ILE 19 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2klo h ILE 19 Cb 0.34 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 2klo h ILE 19 CO 0.00 0.00 0.39 -0.09 0.00 0.00 0.00 178.15 178.45 2klo h ARG 20 N -0.57 0.87 -0.00 2.37 1.12 -1.79 -1.59 114.38 114.79 2klo h ARG 20 Ca -0.02 -0.07 0.00 0.00 -1.11 0.00 0.00 59.98 58.78 2klo h ARG 20 Cb 0.54 -0.19 -0.00 0.00 -0.01 0.00 0.00 29.97 30.32 2klo h ARG 20 CO -0.16 0.61 0.02 0.00 -3.11 0.00 0.00 179.97 177.33 2klo h ALA 21 N 1.54 1.11 0.00 2.80 0.00 -1.33 -2.23 119.26 121.15 2klo h ALA 21 Ca 0.23 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2klo h ALA 21 Cb -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2klo h ALA 21 CO -0.04 -0.02 -0.04 0.87 0.00 0.00 0.00 179.25 180.02 2klo h LYS 22 N 0.00 0.00 0.00 0.00 1.57 -0.14 0.82 116.57 118.82 2klo h LYS 22 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2klo h LYS 22 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2klo h LYS 22 CO -0.00 0.04 -1.03 0.39 -0.57 0.00 0.00 179.45 178.28 2klo n GLU 23 N -3.78 0.45 -0.08 3.15 -0.58 -0.84 -4.03 120.64 114.94 2klo n GLU 23 Ca -0.03 0.05 -0.16 0.00 -0.42 0.00 0.00 57.16 56.60 2klo n GLU 23 Cb 0.13 -1.70 -0.12 0.00 -0.57 0.00 0.00 31.44 29.17 2klo n GLU 23 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2klo h VAL 24 N 0.00 1.56 0.00 2.62 2.07 -1.09 -3.30 116.25 118.11 2klo h VAL 24 Ca 0.00 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.23 2klo h VAL 24 Cb 0.87 3.06 0.00 0.00 -1.52 0.00 0.00 31.29 33.70 2klo h VAL 24 CO 0.00 0.53 0.12 0.06 0.02 0.00 0.00 177.57 178.30 2klo h GLN 25 N -1.00 0.00 0.08 1.57 -0.00 -1.11 -0.39 115.11 114.27 2klo h GLN 25 Ca -0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.56 2klo h GLN 25 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.55 2klo h GLN 25 CO -0.05 0.00 -0.04 -0.22 -0.00 0.00 0.00 178.83 178.52 2klo h LYS 26 N 0.00 -0.11 -0.03 0.06 3.64 -1.70 -3.33 116.57 115.10 2klo h LYS 26 Ca 0.00 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2klo h LYS 26 Cb 0.24 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2klo h LYS 26 CO 0.00 -0.07 0.08 -0.56 -2.27 0.00 0.00 179.45 176.63 2klo h GLN 27 N -0.84 0.00 0.00 1.90 3.07 -1.42 -0.35 115.11 117.46 2klo h GLN 27 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.73 2klo h GLN 27 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.65 2klo h GLN 27 CO 0.02 0.00 0.00 1.25 0.09 0.00 0.00 178.83 180.19 2klo h LEU 28 N 0.00 0.00 -7.93 0.06 5.85 -1.21 -3.42 115.31 108.66 2klo h LEU 28 Ca 0.01 0.00 -0.51 0.00 0.84 0.00 0.00 57.88 58.23 2klo h LEU 28 Cb 0.17 0.00 -0.34 0.00 0.37 0.00 0.00 40.66 40.86 2klo h LEU 28 CO -0.00 0.00 -0.81 0.00 -0.34 0.00 0.00 178.44 177.29 2klo s ALA 29 N -3.82 1.21 -2.00 1.25 0.00 -0.14 -5.02 121.76 113.24 2klo s ALA 29 Ca -0.01 -0.39 0.22 0.00 0.00 0.00 0.00 51.96 51.77 2klo s ALA 29 Cb 0.10 -0.59 1.30 0.00 0.00 0.00 0.00 23.12 23.93 2klo s ALA 29 CO 0.45 0.05 1.80 2.89 0.00 0.00 0.00 175.76 180.94 2klo n ARG 30 N 3.95 0.94 -0.13 0.00 1.85 -1.26 -3.86 116.66 118.14 2klo n ARG 30 Ca -0.22 0.00 0.01 0.00 -1.00 0.00 0.00 57.85 56.64 2klo n ARG 30 Cb 0.51 -1.36 0.06 0.00 -1.05 0.00 0.00 32.46 30.62 2klo n ARG 30 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 2klo n MET 31 N -0.86 1.58 -3.45 2.89 2.81 -1.26 -4.84 117.12 113.98 2klo n MET 31 Ca 0.16 -0.47 -0.13 0.00 -1.81 0.00 0.00 57.70 55.45 2klo n MET 31 Cb 0.07 -1.60 -0.05 0.00 -0.71 0.00 0.00 33.22 30.93 2klo n MET 31 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2klo n THR 32 N 0.09 0.00 -1.39 2.03 -1.04 -1.25 -4.74 114.28 107.97 2klo n THR 32 Ca 0.04 -1.54 -0.13 0.00 -2.04 0.00 0.00 64.05 60.37 2klo n THR 32 Cb 0.38 0.72 -0.06 0.00 -1.82 0.00 0.00 70.33 69.55 2klo n THR 32 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2klo n ARG 33 N -0.45 -1.04 0.09 -2.82 1.74 -1.26 -4.58 116.66 108.33 2klo n ARG 33 Ca 0.03 0.96 0.00 0.00 -0.77 0.00 0.00 57.85 58.07 2klo n ARG 33 Cb 0.39 -5.07 0.00 0.00 -1.02 0.00 0.00 32.46 26.75 2klo n ARG 33 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2klo h PRO 35 N 0.00 -0.13 0.00 0.00 0.13 -1.87 -2.95 132.00 127.18 2klo h PRO 35 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2klo h PRO 35 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 2klo h PRO 35 CO 0.00 0.14 0.15 0.39 -0.23 0.00 0.00 178.00 178.45 2klo n GLU 36 N -5.03 0.05 0.29 0.86 -0.58 -1.26 -1.86 120.64 113.11 2klo n GLU 36 Ca -0.08 0.48 0.17 0.00 -0.42 0.00 0.00 57.16 57.31 2klo n GLU 36 Cb 0.18 -1.81 0.83 0.00 -0.57 0.00 0.00 31.44 30.07 2klo n GLU 36 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 2klo h GLN 37 N 0.00 0.00 -0.58 3.49 4.15 -1.86 -3.15 115.11 117.16 2klo h GLN 37 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.53 2klo h GLN 37 Cb 0.29 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.89 2klo h GLN 37 CO 0.00 0.04 0.06 1.05 -1.93 0.00 0.00 178.83 178.05 2klo h GLU 38 N 0.00 0.18 -0.09 1.69 4.11 -1.59 -0.07 114.58 118.81 2klo h GLU 38 Ca -0.00 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.37 2klo h GLU 38 Cb 0.36 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2klo h GLU 38 CO 0.01 0.12 -0.15 -0.07 0.07 0.00 0.00 179.01 178.98 2klo h LEU 39 N 0.18 0.13 0.44 3.06 3.38 -1.82 0.55 115.31 121.23 2klo h LEU 39 Ca 0.30 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2klo h LEU 39 Cb 0.46 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2klo h LEU 39 CO -0.44 0.29 -0.21 0.03 0.09 0.00 0.00 178.44 178.20 2klo h ARG 40 N 0.13 -0.57 -0.38 1.13 -0.00 -1.18 -2.64 114.38 110.87 2klo h ARG 40 Ca 0.03 0.04 0.06 0.00 -0.50 0.00 0.00 59.98 59.61 2klo h ARG 40 Cb 0.35 0.13 -0.05 0.00 0.00 0.00 0.00 29.97 30.39 2klo h ARG 40 CO 0.02 -0.29 0.05 -0.07 0.00 0.00 0.00 179.97 179.69 2klo h LEU 41 N -1.05 -0.04 -0.65 3.04 3.38 -1.13 0.14 115.31 119.00 2klo h LEU 41 Ca -0.06 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.08 2klo h LEU 41 Cb 0.55 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 2klo h LEU 41 CO 0.10 0.02 0.26 -0.61 0.09 0.00 0.00 178.44 178.30 2klo h GLN 42 N 0.17 0.44 -0.05 1.13 4.15 -0.98 -1.72 115.11 118.25 2klo h GLN 42 Ca 0.19 -0.03 -0.25 0.00 0.77 0.00 0.00 58.65 59.33 2klo h GLN 42 Cb 0.23 -0.10 0.02 0.00 0.21 0.00 0.00 27.48 27.84 2klo h GLN 42 CO -0.26 0.29 -0.93 0.00 -1.93 0.00 0.00 178.83 175.99 2klo h ARG 43 N 0.45 0.72 0.00 1.69 2.47 -0.99 -3.29 114.38 115.43 2klo h ARG 43 Ca 0.33 -0.71 0.00 0.00 -1.26 0.00 0.00 59.98 58.34 2klo h ARG 43 Cb 0.41 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 2klo h ARG 43 CO -0.31 1.29 0.00 -0.07 0.56 0.00 0.00 179.97 181.44 2klo h LEU 44 N 0.42 0.00 -2.82 3.04 3.38 -0.01 -2.72 115.31 116.60 2klo h LEU 44 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2klo h LEU 44 Cb 1.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.33 2klo h LEU 44 CO 0.19 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.39 2klo h GLU 45 N 0.00 0.00 -0.01 1.13 4.39 -1.41 -0.65 114.58 118.03 2klo h GLU 45 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2klo h GLU 45 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2klo h GLU 45 CO 0.00 0.00 -0.04 0.54 -1.16 0.00 0.00 179.01 178.35 2klo n ARG 46 N -2.99 1.22 0.01 2.33 1.74 -1.02 -4.42 116.66 113.53 2klo n ARG 46 Ca -0.03 -0.52 -0.14 0.00 -0.77 0.00 0.00 57.85 56.39 2klo n ARG 46 Cb 0.07 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 29.93 2klo n ARG 46 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2klo h LEU 47 N 1.26 -1.57 -1.43 0.55 3.38 -1.34 -0.36 115.31 115.80 2klo h LEU 47 Ca 0.00 0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 2klo h LEU 47 Cb 0.33 0.62 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2klo h LEU 47 CO 0.00 -0.48 -0.20 1.55 0.09 0.00 0.00 178.44 179.40 2klo h PRO 48 N -0.58 0.00 0.44 1.13 0.13 -1.83 -2.64 132.00 128.65 2klo h PRO 48 Ca 0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.15 2klo h PRO 48 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2klo h PRO 48 CO -0.40 0.20 -0.21 1.49 -0.23 0.00 0.00 178.00 178.85 2klo h GLU 49 N 0.00 -0.57 0.15 0.86 4.22 -1.46 0.51 114.58 118.29 2klo h GLU 49 Ca -0.00 0.04 0.01 0.00 0.08 0.00 0.00 59.36 59.49 2klo h GLU 49 Cb 0.59 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2klo h GLU 49 CO 0.03 -0.33 -0.21 -0.07 -2.18 0.00 0.00 179.01 176.24 2klo h LEU 50 N -0.68 -0.59 -0.11 1.64 -0.00 -1.02 -1.06 115.31 113.48 2klo h LEU 50 Ca -0.06 0.06 0.04 0.00 -0.00 0.00 0.00 57.88 57.92 2klo h LEU 50 Cb 0.50 0.22 -0.04 0.00 -0.00 0.00 0.00 40.66 41.34 2klo h LEU 50 CO 0.10 -0.30 -0.14 0.00 -0.00 0.00 0.00 178.44 178.10 2klo h ALA 51 N 0.34 -0.07 -0.03 1.53 0.00 -1.41 0.11 119.26 119.74 2klo h ALA 51 Ca 0.02 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2klo h ALA 51 Cb 0.43 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2klo h ALA 51 CO -0.10 -0.59 0.02 0.00 0.00 0.00 0.00 179.25 178.58 2klo h ARG 52 N -0.18 0.05 -0.44 0.00 3.08 -0.78 -1.83 114.38 114.28 2klo h ARG 52 Ca 0.08 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.14 2klo h ARG 52 Cb 0.30 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 2klo h ARG 52 CO -0.21 0.13 0.28 0.28 -1.07 0.00 0.00 179.97 179.37 2klo h VAL 53 N -0.05 1.08 0.14 2.04 2.07 -1.01 0.54 116.25 121.06 2klo h VAL 53 Ca 0.01 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.36 2klo h VAL 53 Cb 0.10 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 2klo h VAL 53 CO -0.00 0.10 -0.30 0.25 0.02 0.00 0.00 177.57 177.64 2klo h LEU 54 N 0.56 -0.86 -1.11 2.57 6.46 -0.64 0.81 115.31 123.09 2klo h LEU 54 Ca 0.17 0.10 0.02 0.00 -0.12 0.00 0.00 57.88 58.04 2klo h LEU 54 Cb -0.03 0.32 -0.05 0.00 -0.73 0.00 0.00 40.66 40.18 2klo h LEU 54 CO -0.06 -0.40 0.60 -0.09 -0.62 0.00 0.00 178.44 177.88 2klo h ARG 55 N -0.54 1.17 -0.35 1.25 2.43 -1.14 -0.01 114.38 117.19 2klo h ARG 55 Ca 0.03 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 2klo h ARG 55 Cb 0.55 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2klo h ARG 55 CO -0.16 0.78 0.07 -0.91 -1.51 0.00 0.00 179.97 178.23 2klo h ASN 56 N 1.21 0.48 0.15 -3.80 2.35 0.23 -0.59 115.58 115.60 2klo h ASN 56 Ca 0.34 -0.07 -0.25 0.00 -0.55 0.00 0.00 56.30 55.78 2klo h ASN 56 Cb -0.10 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.16 2klo h ASN 56 CO -0.08 0.50 -1.16 1.62 -1.65 0.00 0.00 177.43 176.66 2klo h VAL 57 N 0.51 1.27 -0.57 2.81 3.04 -0.11 -2.47 116.25 120.74 2klo h VAL 57 Ca 0.12 -2.50 0.02 0.00 -1.01 0.00 0.00 66.70 63.33 2klo h VAL 57 Cb 0.23 2.97 -0.03 0.00 -2.01 0.00 0.00 31.29 32.45 2klo h VAL 57 CO -0.00 0.73 0.37 -0.26 -1.01 0.00 0.00 177.57 177.40 2klo h PHE 58 N -0.27 0.65 -0.16 3.17 -1.00 -0.89 0.27 116.94 118.71 2klo h PHE 58 Ca -0.23 0.02 -0.19 0.00 2.81 0.00 0.00 57.97 60.37 2klo h PHE 58 Cb 1.77 -0.22 0.01 0.00 3.61 0.00 0.00 35.95 41.11 2klo h PHE 58 CO 0.16 0.39 -0.66 -0.24 -1.61 0.00 0.00 178.31 176.35 2klo h VAL 59 N 0.69 1.30 -0.39 -0.55 3.04 -1.18 -3.24 116.25 115.92 2klo h VAL 59 Ca 0.22 -1.88 -0.10 0.00 -1.01 0.00 0.00 66.70 63.93 2klo h VAL 59 Cb 0.04 1.99 -0.02 0.00 -2.01 0.00 0.00 31.29 31.29 2klo h VAL 59 CO -0.06 0.59 -0.16 -1.28 -1.01 0.00 0.00 177.57 175.65 2klo h SER 60 N 0.44 0.73 0.12 3.17 0.87 -0.76 -2.76 113.55 115.35 2klo h SER 60 Ca -0.04 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2klo h SER 60 Cb 1.29 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2klo h SER 60 CO 0.14 0.90 0.00 1.21 -0.53 0.00 0.00 176.83 178.55 2klo n GLU 61 N -4.14 0.31 -0.82 2.24 4.07 0.83 -4.84 120.64 118.28 2klo n GLU 61 Ca 0.01 0.08 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 2klo n GLU 61 Cb 0.39 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.27 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 -1.14 -1.14 -4.40 5.31 0.63 -1.04 -4.94 116.66 109.94 2klo n ARG 62 Ca 0.08 0.28 -0.22 0.00 -0.92 0.00 0.00 57.85 57.08 2klo n ARG 62 Cb 0.07 -4.65 -0.16 0.00 0.45 0.00 0.00 32.46 28.18 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 -1.49 1.21 0.00 -0.14 -2.85 -1.24 -5.03 119.74 110.21 2klo s LYS 63 Ca 0.00 -0.29 0.30 0.00 -1.00 0.00 0.00 55.97 54.98 2klo s LYS 63 Cb 0.00 -1.08 1.50 0.00 -2.06 0.00 0.00 37.83 36.19 2klo s LYS 63 CO 0.00 0.02 2.01 -0.35 0.10 0.00 0.00 175.35 177.13 2klo n PRO 64 N 3.72 0.90 -4.26 1.78 -0.04 -1.26 -4.70 135.00 131.15 2klo n PRO 64 Ca -0.22 -0.21 -0.23 0.00 -0.04 0.00 0.00 63.50 62.79 2klo n PRO 64 Cb 0.52 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.25 1.03 0.10 0.55 0.00 -1.26 -1.96 121.76 117.98 2klo s ALA 65 Ca 0.37 -0.30 0.08 0.00 0.00 0.00 0.00 51.96 52.11 2klo s ALA 65 Cb 0.21 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 2klo s ALA 65 CO 0.41 -0.07 -0.19 -0.51 0.00 0.00 0.00 175.76 175.40 2klo s LEU 66 N 1.04 2.31 0.67 0.00 1.02 -0.86 -4.97 118.68 117.90 2klo s LEU 66 Ca -0.08 -0.70 -0.11 0.00 0.02 0.00 0.00 54.13 53.26 2klo s LEU 66 Cb -0.14 -0.80 -0.01 0.00 0.02 0.00 0.00 46.19 45.26 2klo s LEU 66 CO -0.00 0.01 1.05 -0.89 0.02 0.00 0.00 176.35 176.54 2klo s THR 67 N -1.32 4.20 0.20 5.49 2.01 -1.26 -0.52 115.64 124.44 2klo s THR 67 Ca 0.06 0.73 -0.11 0.00 0.31 0.00 0.00 61.69 62.68 2klo s THR 67 Cb -0.09 -3.52 0.12 0.00 0.01 0.00 0.00 72.50 69.01 2klo s THR 67 CO 0.04 -0.92 1.77 0.24 -0.69 0.00 0.00 174.62 175.06 2klo h MET 68 N -0.57 0.48 -0.19 4.92 2.86 -1.59 -2.33 114.93 118.51 2klo h MET 68 Ca -0.44 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.23 2klo h MET 68 Cb 1.20 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 32.69 2klo h MET 68 CO 0.58 0.32 -0.22 1.49 1.06 0.00 0.00 176.91 180.14 2klo h GLU 69 N 0.50 -0.25 0.82 1.72 4.81 -1.93 -1.37 114.58 118.88 2klo h GLU 69 Ca 0.27 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.48 2klo h GLU 69 Cb 0.24 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 2klo h GLU 69 CO -0.22 -0.16 -0.48 0.28 -0.73 0.00 0.00 179.01 177.70 2klo h VAL 70 N -0.25 0.04 -0.05 0.32 2.07 -1.85 -2.00 116.25 114.53 2klo h VAL 70 Ca 0.12 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.65 2klo h VAL 70 Cb 0.43 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2klo h VAL 70 CO -0.33 0.00 0.05 1.62 0.02 0.00 0.00 177.57 178.93 2klo h VAL 71 N -1.21 0.52 0.06 2.57 3.04 -1.32 -2.04 116.25 117.87 2klo h VAL 71 Ca -0.11 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.58 2klo h VAL 71 Cb 0.96 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.19 2klo h VAL 71 CO 0.13 0.00 -0.03 0.00 -1.01 0.00 0.00 177.57 176.66 2klo h ALA 73 N 0.19 1.13 -0.41 0.00 0.00 -1.00 -0.83 119.26 118.33 2klo h ALA 73 Ca -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2klo h ALA 73 Cb 0.57 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2klo h ALA 73 CO 0.01 0.43 0.13 0.00 0.00 0.00 0.00 179.25 179.82 2klo h ARG 74 N 1.11 0.59 0.33 0.00 2.47 -1.36 -1.80 114.38 115.72 2klo h ARG 74 Ca 0.34 -0.09 -0.02 0.00 -1.26 0.00 0.00 59.98 58.95 2klo h ARG 74 Cb -0.03 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.18 2klo h ARG 74 CO -0.10 0.52 -0.16 0.52 0.56 0.00 0.00 179.97 181.31 2klo h MET 75 N 0.59 -0.43 -0.09 0.04 2.86 0.01 -3.31 114.93 114.59 2klo h MET 75 Ca 0.14 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.83 2klo h MET 75 Cb 0.18 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 2klo h MET 75 CO -0.01 -0.16 0.07 -0.24 1.06 0.00 0.00 176.91 177.63 2klo h VAL 76 N -1.03 0.83 0.00 -2.22 3.04 -1.17 -1.32 116.25 114.38 2klo h VAL 76 Ca -0.05 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.62 2klo h VAL 76 Cb 0.47 0.95 -0.00 0.00 -2.01 0.00 0.00 31.29 30.69 2klo h VAL 76 CO 0.07 0.00 -0.11 0.44 -1.01 0.00 0.00 177.57 176.97 2klo h ASP 77 N 0.00 0.00 0.28 3.17 3.32 -1.41 -0.80 116.42 120.98 2klo h ASP 77 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2klo h ASP 77 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2klo h ASP 77 CO -0.00 0.11 0.00 -1.20 -1.72 0.00 0.00 179.24 176.42 2klo n SER 78 N -4.38 0.00 0.07 6.45 7.64 -0.50 -3.35 113.62 119.55 2klo n SER 78 Ca -0.03 -0.28 0.07 0.00 1.01 0.00 0.00 58.87 59.64 2klo n SER 78 Cb 0.18 -0.19 0.33 0.00 -1.01 0.00 0.00 64.21 63.52 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 -1.84 0.05 0.17 0.00 6.02 -1.21 -0.99 117.38 119.58 2klo n GLN 80 Ca 0.01 0.29 0.13 0.00 -0.01 0.00 0.00 57.00 57.42 2klo n GLN 80 Cb 0.10 -1.50 0.30 0.00 1.02 0.00 0.00 30.24 30.16 2klo n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2klo h THR 81 N 0.00 0.00 -3.30 5.09 1.03 -1.81 -3.48 112.91 110.43 2klo h THR 81 Ca 0.00 -0.74 0.00 0.00 -0.01 0.00 0.00 66.41 65.66 2klo h THR 81 Cb 0.07 1.73 0.00 0.00 -1.07 0.00 0.00 68.15 68.87 2klo h THR 81 CO 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 175.52 175.42 2klo n ALA 82 N -1.96 -3.02 -2.18 0.00 0.00 -0.16 -5.14 120.51 108.05 2klo n ALA 82 Ca 0.04 0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.53 2klo n ALA 82 Cb 0.47 -0.41 -0.10 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.95 1.78 0.63 0.00 0.05 -1.25 -5.14 118.68 113.80 2klo s LEU 83 Ca 0.02 -1.16 -0.13 0.00 0.05 0.00 0.00 54.13 52.91 2klo s LEU 83 Cb -0.01 0.35 -0.02 0.00 -2.05 0.00 0.00 46.19 44.46 2klo s LEU 83 CO 0.10 -0.73 1.04 -0.44 -0.55 0.00 0.00 176.35 175.78 2klo s SER 84 N -3.03 5.82 0.22 1.48 0.01 -1.26 -4.96 113.70 111.97 2klo s SER 84 Ca 0.22 1.63 -0.09 0.00 1.31 0.00 0.00 55.95 59.02 2klo s SER 84 Cb 0.07 -2.50 0.23 0.00 0.21 0.00 0.00 66.02 64.03 2klo s SER 84 CO 0.00 -1.15 1.84 1.55 0.41 0.00 0.00 173.24 175.90 2klo h PRO 85 N -0.12 0.84 0.00 12.44 0.13 -2.02 -2.06 132.00 141.22 2klo h PRO 85 Ca -0.45 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2klo h PRO 85 Cb 1.21 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2klo h PRO 85 CO 0.59 0.55 0.00 0.78 -0.23 0.00 0.00 178.00 179.69 2klo h GLY 86 N 0.86 0.00 0.85 1.56 0.00 -1.99 -2.74 103.07 101.61 2klo h GLY 86 Ca 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 2klo h GLY 86 CO -0.13 0.00 0.03 0.83 0.00 0.00 0.00 176.54 177.27 2klo h GLU 87 N 0.00 0.12 -0.24 4.80 4.39 -1.75 0.43 114.58 122.33 2klo h GLU 87 Ca 0.00 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.73 2klo h GLU 87 Cb 0.28 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.86 2klo h GLU 87 CO 0.00 0.25 -0.12 1.98 -1.16 0.00 0.00 179.01 179.97 2klo h MET 88 N -0.04 -0.08 -0.47 2.33 4.05 -1.60 0.60 114.93 119.72 2klo h MET 88 Ca 0.03 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.41 2klo h MET 88 Cb 0.18 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 2klo h MET 88 CO -0.00 -0.05 0.15 0.93 0.23 0.00 0.00 176.91 178.16 2klo h GLU 89 N -0.09 0.72 0.00 0.39 5.08 -1.52 -1.48 114.58 117.68 2klo h GLU 89 Ca 0.13 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2klo h GLU 89 Cb 0.28 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2klo h GLU 89 CO -0.30 0.69 -0.08 0.87 -1.00 0.00 0.00 179.01 179.19 2klo h LYS 90 N 0.62 0.00 0.03 2.33 1.57 -0.36 -1.84 116.57 118.91 2klo h LYS 90 Ca 0.15 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.71 2klo h LYS 90 Cb 0.26 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2klo h LYS 90 CO -0.01 0.08 -1.01 0.45 -0.57 0.00 0.00 179.45 178.39 2klo h HIS 91 N 0.00 0.13 0.70 -1.35 3.86 -0.18 -2.51 115.15 115.80 2klo h HIS 91 Ca -0.00 -0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.09 2klo h HIS 91 Cb 0.44 -0.01 0.01 0.00 1.06 0.00 0.00 27.41 28.90 2klo h HIS 91 CO 0.00 1.03 -0.34 -0.07 0.86 0.00 0.00 177.93 179.42 2klo h LEU 92 N 0.03 -0.79 0.05 2.43 3.38 -0.45 -2.13 115.31 117.82 2klo h LEU 92 Ca -0.04 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2klo h LEU 92 Cb 1.74 0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.70 2klo h LEU 92 CO 0.14 -0.54 -0.02 1.62 0.09 0.00 0.00 178.44 179.73 2klo h VAL 93 N -0.98 1.01 -0.63 1.22 3.04 -1.58 -2.62 116.25 115.71 2klo h VAL 93 Ca -0.10 -0.16 0.12 0.00 -1.01 0.00 0.00 66.70 65.55 2klo h VAL 93 Cb 0.73 1.11 -0.12 0.00 -2.01 0.00 0.00 31.29 31.00 2klo h VAL 93 CO 0.16 0.04 -0.26 0.25 -1.01 0.00 0.00 177.57 176.74 2klo h LEU 94 N -0.13 -0.93 -0.29 3.16 5.85 -1.41 0.29 115.31 121.85 2klo h LEU 94 Ca -0.01 0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 2klo h LEU 94 Cb 0.11 0.51 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2klo h LEU 94 CO 0.01 -0.27 -0.05 0.25 -0.34 0.00 0.00 178.44 178.04 2klo h LEU 95 N -0.09 0.54 -1.35 2.25 5.85 -1.36 -2.75 115.31 118.40 2klo h LEU 95 Ca 0.28 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 2klo h LEU 95 Cb 0.53 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2klo h LEU 95 CO -0.69 0.76 -0.20 0.00 -0.34 0.00 0.00 178.44 177.97 2klo h ALA 96 N 0.80 1.09 0.19 1.25 0.00 -0.95 -2.87 119.26 118.76 2klo h ALA 96 Ca 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2klo h ALA 96 Cb 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2klo h ALA 96 CO 0.02 0.25 -0.09 1.49 0.00 0.00 0.00 179.25 180.92 2klo h GLU 97 N 0.00 -0.24 0.00 0.00 4.22 -0.36 -3.30 114.58 114.90 2klo h GLU 97 Ca -0.00 0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.42 2klo h GLU 97 Cb 0.63 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2klo h GLU 97 CO 0.03 -0.16 -0.18 -0.07 -2.18 0.00 0.00 179.01 176.44 2klo h LEU 98 N -0.81 0.00 -6.63 1.64 4.07 -1.59 -3.32 115.31 108.67 2klo h LEU 98 Ca -0.03 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 57.33 2klo h LEU 98 Cb 0.19 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 41.52 2klo h LEU 98 CO 0.04 0.18 -0.67 0.18 -1.08 0.00 0.00 178.44 177.09 2klo n LEU 99 N -4.15 2.57 0.22 1.67 4.77 -1.08 -4.92 117.00 116.08 2klo n LEU 99 Ca -0.02 -5.13 0.08 0.00 -0.03 0.00 0.00 56.01 50.90 2klo n LEU 99 Cb 0.25 -0.45 0.48 0.00 -2.33 0.00 0.00 43.42 41.38 2klo n LEU 99 CO 0.35 1.89 0.80 1.55 -1.33 0.00 0.00 177.39 180.65 2klo h PRO 100 N 4.94 0.00 0.00 3.23 0.13 -1.67 -2.92 132.00 135.71 2klo h PRO 100 Ca 0.17 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.23 2klo h PRO 100 Cb 0.75 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 2klo h PRO 100 CO 0.69 0.27 -0.33 -0.44 -0.23 0.00 0.00 178.00 177.96 2klo h ASP 101 N 0.00 0.00 0.00 1.44 5.19 -1.91 -3.36 116.42 117.77 2klo h ASP 101 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2klo h ASP 101 Cb 0.66 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.17 2klo h ASP 101 CO 0.03 0.33 -0.53 1.87 -3.12 0.00 0.00 179.24 177.83 2klo n TRP 102 N -3.72 0.72 -3.50 4.55 -0.00 -1.11 -4.90 117.44 109.48 2klo n TRP 102 Ca -0.01 0.31 -0.38 0.00 -0.00 0.00 0.00 57.50 57.43 2klo n TRP 102 Cb 0.43 -0.69 -0.09 0.00 -0.00 0.00 0.00 31.31 30.97 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 -7.84 4.11 -0.04 5.87 1.43 -1.16 -3.71 118.68 117.34 2klo s LEU 103 Ca -0.15 0.30 0.03 0.00 -1.03 0.00 0.00 54.13 53.27 2klo s LEU 103 Cb 0.02 -2.32 0.01 0.00 0.03 0.00 0.00 46.19 43.92 2klo s LEU 103 CO 0.23 -0.04 -0.11 -0.44 0.23 0.00 0.00 176.35 176.22 2klo s SER 104 N 1.18 1.47 -0.14 2.29 0.01 -0.90 -4.69 113.70 112.92 2klo s SER 104 Ca 0.13 -0.23 -0.21 0.00 1.31 0.00 0.00 55.95 56.94 2klo s SER 104 Cb -0.14 -0.51 -0.03 0.00 0.21 0.00 0.00 66.02 65.54 2klo s SER 104 CO 0.07 0.06 0.64 -0.76 0.41 0.00 0.00 173.24 173.65 2klo s LEU 105 N 0.39 4.22 -0.32 2.44 1.43 -1.26 -0.62 118.68 124.96 2klo s LEU 105 Ca -0.07 0.97 0.03 0.00 -1.03 0.00 0.00 54.13 54.02 2klo s LEU 105 Cb -0.12 -2.94 0.09 0.00 0.03 0.00 0.00 46.19 43.26 2klo s LEU 105 CO 0.02 -0.18 0.03 -1.00 0.23 0.00 0.00 176.35 175.44 2klo s HIS 106 N 1.34 3.38 -0.04 0.29 3.76 0.61 -4.98 115.29 119.66 2klo s HIS 106 Ca 0.32 -2.70 -0.21 0.00 -0.15 0.00 0.00 55.06 52.31 2klo s HIS 106 Cb -0.16 -2.58 -0.05 0.00 1.11 0.00 0.00 32.58 30.90 2klo s HIS 106 CO 0.13 -0.92 0.62 0.50 -0.85 0.00 0.00 174.74 174.21 2klo s ARG 107 N 1.04 4.37 0.15 1.40 3.52 -1.26 -1.02 118.95 127.15 2klo s ARG 107 Ca 0.07 0.74 0.09 0.00 -0.13 0.00 0.00 55.73 56.51 2klo s ARG 107 Cb -0.19 -3.39 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 2klo s ARG 107 CO -0.10 0.23 -0.21 0.42 -0.81 0.00 0.00 175.30 174.83 2klo s ILE 108 N 0.29 1.94 0.56 4.11 -1.09 0.33 -4.98 121.20 122.36 2klo s ILE 108 Ca 0.33 -1.80 0.27 0.00 -2.23 0.00 0.00 60.65 57.22 2klo s ILE 108 Cb -0.18 -1.82 0.39 0.00 -1.58 0.00 0.00 42.46 39.27 2klo s ILE 108 CO 0.16 -0.15 1.98 0.08 -1.23 0.00 0.00 174.94 175.79 2klo h ARG 109 N 3.57 0.00 0.24 2.79 0.11 -2.04 -0.75 114.38 118.31 2klo h ARG 109 Ca -0.45 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.29 2klo h ARG 109 Cb 1.19 0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.31 2klo h ARG 109 CO 0.45 0.00 -1.49 0.00 0.10 0.00 0.00 179.97 179.03 2klo h THR 110 N 0.00 1.27 -1.94 0.08 1.03 -2.02 -3.50 112.91 107.83 2klo h THR 110 Ca 0.21 -2.71 0.37 0.00 -0.01 0.00 0.00 66.41 64.27 2klo h THR 110 Cb 0.97 3.02 -0.08 0.00 -1.07 0.00 0.00 68.15 70.99 2klo h THR 110 CO -0.00 0.82 0.95 -0.62 -0.01 0.00 0.00 175.52 176.66 2klo s ASP 111 N -7.53 -0.00 -0.04 0.00 2.15 -0.29 -5.17 116.67 105.79 2klo s ASP 111 Ca -0.09 -0.11 -0.04 0.00 0.43 0.00 0.00 52.55 52.74 2klo s ASP 111 Cb 0.04 0.08 -0.04 0.00 -0.30 0.00 0.00 42.92 42.71 2klo s ASP 111 CO 0.94 -0.16 0.17 -0.89 -0.17 0.00 0.00 175.17 175.06 2klo s THR 112 N -2.04 5.45 0.19 1.71 2.01 -1.26 -0.52 115.64 121.18 2klo s THR 112 Ca 0.28 -0.06 -0.04 0.00 0.31 0.00 0.00 61.69 62.18 2klo s THR 112 Cb 0.01 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 2klo s THR 112 CO -0.02 0.40 0.20 -0.31 -0.69 0.00 0.00 174.62 174.20 2klo s TYR 113 N -1.25 0.82 0.16 4.92 1.51 -0.18 -1.45 117.35 121.87 2klo s TYR 113 Ca 0.24 -1.12 0.10 0.00 -1.01 0.00 0.00 57.07 55.28 2klo s TYR 113 Cb -0.12 -0.32 -0.04 0.00 -0.11 0.00 0.00 41.96 41.36 2klo s TYR 113 CO 0.15 -0.69 -0.23 0.08 -1.11 0.00 0.00 175.55 173.75 2klo s VAL 114 N -4.07 2.15 0.11 0.71 1.01 0.32 -0.28 120.40 120.34 2klo s VAL 114 Ca 0.29 -1.87 0.10 0.00 0.00 0.00 0.00 61.98 60.50 2klo s VAL 114 Cb 0.05 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2klo s VAL 114 CO 0.07 -0.09 -0.24 -0.54 0.00 0.00 0.00 175.10 174.30 2klo s LYS 115 N -2.42 1.59 0.15 2.72 1.02 0.21 -2.03 119.74 120.97 2klo s LYS 115 Ca 0.16 -1.26 -0.08 0.00 0.02 0.00 0.00 55.97 54.81 2klo s LYS 115 Cb -0.08 -1.98 -0.01 0.00 -0.52 0.00 0.00 37.83 35.23 2klo s LYS 115 CO 0.07 0.47 0.25 -1.17 -0.92 0.00 0.00 175.35 174.06 2klo s LEU 116 N -1.95 1.10 -0.36 3.17 1.98 -0.83 -2.12 118.68 119.68 2klo s LEU 116 Ca 0.15 -0.87 0.03 0.00 -2.89 0.00 0.00 54.13 50.55 2klo s LEU 116 Cb -0.10 1.09 0.10 0.00 0.66 0.00 0.00 46.19 47.94 2klo s LEU 116 CO 0.07 -0.86 0.09 -0.62 -1.89 0.00 0.00 176.35 173.14 2klo s ASP 117 N -2.96 4.54 0.05 3.68 -1.08 -1.24 -4.87 116.67 114.79 2klo s ASP 117 Ca 0.16 -2.16 0.18 0.00 -0.52 0.00 0.00 52.55 50.22 2klo s ASP 117 Cb 0.04 -1.45 0.77 0.00 -1.46 0.00 0.00 42.92 40.82 2klo s ASP 117 CO -0.01 -0.37 1.58 0.29 0.52 0.00 0.00 175.17 177.18 2klo n LYS 118 N 4.23 0.04 0.00 4.34 5.02 -1.26 -3.31 118.16 127.22 2klo n LYS 118 Ca 0.03 0.25 0.11 0.00 -2.02 0.00 0.00 58.31 56.68 2klo n LYS 118 Cb 0.41 -1.58 0.03 0.00 -0.02 0.00 0.00 35.03 33.87 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 -1.56 3.19 -1.57 7.82 0.00 -1.26 -4.98 120.51 122.15 2klo n ALA 119 Ca 0.04 -0.66 -0.31 0.00 0.00 0.00 0.00 53.44 52.52 2klo n ALA 119 Cb 0.21 -0.78 0.06 0.00 0.00 0.00 0.00 19.45 18.94 2klo n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2klo s VAL 120 N -2.29 3.73 -0.82 0.00 0.11 -1.21 -4.93 120.40 114.99 2klo s VAL 120 Ca 0.21 0.56 -0.25 0.00 -2.93 0.00 0.00 61.98 59.57 2klo s VAL 120 Cb 0.18 -3.31 -0.05 0.00 -1.53 0.00 0.00 36.38 31.68 2klo s VAL 120 CO 0.48 -0.73 1.96 -0.62 -3.33 0.00 0.00 175.10 172.86 2klo s ASP 121 N -3.83 5.08 0.42 3.54 -1.08 -1.26 -4.82 116.67 114.72 2klo s ASP 121 Ca 0.59 -0.38 0.11 0.00 -0.52 0.00 0.00 52.55 52.35 2klo s ASP 121 Cb -0.14 -2.55 0.90 0.00 -1.46 0.00 0.00 42.92 39.67 2klo s ASP 121 CO 0.55 -2.73 1.98 0.25 0.52 0.00 0.00 175.17 175.73 2klo h LEU 122 N 17.86 0.17 -0.31 -1.34 7.12 -1.94 -1.43 115.31 135.44 2klo h LEU 122 Ca 0.01 -0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.99 2klo h LEU 122 Cb 1.04 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 41.11 2klo h LEU 122 CO 1.20 0.28 0.20 0.00 -0.13 0.00 0.00 178.44 179.99 2klo h ALA 123 N 1.74 0.40 -0.66 1.25 0.00 -1.99 0.15 119.26 120.15 2klo h ALA 123 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2klo h ALA 123 Cb 0.27 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2klo h ALA 123 CO 0.01 -0.12 0.38 0.78 0.00 0.00 0.00 179.25 180.30 2klo h GLY 124 N 0.42 0.97 0.76 0.00 0.00 -1.79 -1.26 103.07 102.17 2klo h GLY 124 Ca 0.11 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 2klo h GLY 124 CO -0.02 0.41 -0.25 1.41 0.00 0.00 0.00 176.54 178.08 2klo h LEU 125 N 0.90 -0.60 -0.86 3.11 3.38 -0.93 -2.35 115.31 117.97 2klo h LEU 125 Ca 0.23 -0.06 0.17 0.00 0.09 0.00 0.00 57.88 58.32 2klo h LEU 125 Cb 0.01 0.16 -0.11 0.00 0.09 0.00 0.00 40.66 40.81 2klo h LEU 125 CO -0.04 -0.27 0.41 0.74 0.09 0.00 0.00 178.44 179.37 2klo h THR 126 N -0.96 0.63 0.87 0.22 2.02 -0.60 -0.13 112.91 114.96 2klo h THR 126 Ca -0.07 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 2klo h THR 126 Cb 0.62 0.06 0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2klo h THR 126 CO 0.12 0.10 -0.42 0.00 0.37 0.00 0.00 175.52 175.69 2klo h ALA 127 N 1.61 -1.17 -0.72 6.16 0.00 -1.16 -0.07 119.26 123.91 2klo h ALA 127 Ca 0.49 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 55.20 2klo h ALA 127 Cb 0.80 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2klo h ALA 127 CO -0.43 -1.11 0.48 0.07 0.00 0.00 0.00 179.25 178.26 2klo h ARG 128 N -1.27 0.77 0.50 0.00 0.11 -1.01 -0.24 114.38 113.24 2klo h ARG 128 Ca -0.12 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 59.89 2klo h ARG 128 Cb 0.90 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.81 2klo h ARG 128 CO 0.20 0.51 -0.24 1.25 0.10 0.00 0.00 179.97 181.79 2klo h LEU 129 N 0.80 -0.57 -1.26 0.08 5.85 -0.93 -2.97 115.31 116.31 2klo h LEU 129 Ca 0.30 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2klo h LEU 129 Cb 0.19 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2klo h LEU 129 CO -0.10 -0.32 0.00 0.00 -0.34 0.00 0.00 178.44 177.68 2klo h ALA 130 N -0.35 1.00 0.00 1.25 0.00 -0.69 -2.83 119.26 117.64 2klo h ALA 130 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2klo h ALA 130 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2klo h ALA 130 CO 0.11 0.00 -0.05 0.72 0.00 0.00 0.00 179.25 180.03 2klo n HIS 131 N -3.04 0.22 -2.33 0.00 8.25 -0.13 -4.94 115.22 113.25 2klo n HIS 131 Ca 0.01 0.06 -0.09 0.00 -0.26 0.00 0.00 57.72 57.44 2klo n HIS 131 Cb 0.33 -0.58 -0.01 0.00 1.12 0.00 0.00 29.99 30.84 2klo n HIS 131 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2klo n HIS 132 N -1.68 -1.45 -0.31 4.41 -0.00 -1.07 -4.87 115.22 110.25 2klo n HIS 132 Ca 0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.67 2klo n HIS 132 Cb 0.36 -2.32 -0.09 0.00 -0.00 0.00 0.00 29.99 27.94 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 0.01 -0.21 1.59 2.07 -1.86 -2.27 116.25 115.57 2klo h VAL 133 Ca -0.22 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2klo h VAL 133 Cb 1.11 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2klo h VAL 133 CO 0.27 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.86 2klo n HIS 134 N -5.31 0.60 -2.63 1.57 -0.00 -1.26 -5.03 115.22 103.16 2klo n HIS 134 Ca 0.01 -0.81 -0.23 0.00 -0.00 0.00 0.00 57.72 56.69 2klo n HIS 134 Cb 0.30 -0.21 0.09 0.00 -0.00 0.00 0.00 29.99 30.17 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 -2.38 3.82 0.00 1.59 0.00 -0.86 -5.04 121.76 118.89 2klo s ALA 135 Ca 0.34 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.65 2klo s ALA 135 Cb 0.27 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.39 2klo s ALA 135 CO 0.08 -1.24 0.00 -0.85 0.00 0.00 0.00 175.76 173.75 2klo n GLU 136 N -2.67 1.88 -0.04 0.00 0.28 -1.26 -5.02 120.64 113.82 2klo n GLU 136 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.13 2klo n GLU 136 Cb 0.60 -0.46 0.00 0.00 1.43 0.00 0.00 31.44 33.01 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 0.28 0.73 0.00 -1.84 0.00 -1.26 -5.11 105.19 97.98 2klo n GLY 137 Ca 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 46.02 45.36 2klo n GLY 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36