#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 3.60 0.38 0.55 0.00 -1.26 -4.97 121.76 120.07 2klo s ALA 2 Ca 0.00 0.93 -0.15 0.00 0.00 0.00 0.00 51.96 52.74 2klo s ALA 2 Cb 0.00 -3.62 0.05 0.00 0.00 0.00 0.00 23.12 19.55 2klo s ALA 2 CO 0.00 -0.98 0.77 0.00 0.00 0.00 0.00 175.76 175.54 2klo s ALA 3 N 2.58 -0.65 -0.20 0.00 0.00 -1.26 -5.06 121.76 117.17 2klo s ALA 3 Ca 0.66 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 2klo s ALA 3 Cb -0.33 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.50 2klo s ALA 3 CO 0.27 -0.98 0.15 0.43 0.00 0.00 0.00 175.76 175.64 2klo n SER 4 N -1.39 -1.21 -4.76 0.00 7.64 -1.26 -4.89 113.62 107.75 2klo n SER 4 Ca -0.08 -0.22 -0.35 0.00 1.01 0.00 0.00 58.87 59.23 2klo n SER 4 Cb 0.60 -0.39 0.02 0.00 -1.01 0.00 0.00 64.21 63.42 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 -2.50 3.15 0.19 1.43 0.04 -1.26 -4.97 135.00 131.09 2klo s PRO 5 Ca 0.01 1.70 -0.31 0.00 0.04 0.00 0.00 61.00 62.44 2klo s PRO 5 Cb -0.00 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 2klo s PRO 5 CO 0.22 -1.03 1.43 -1.54 0.04 0.00 0.00 177.00 176.12 2klo s SER 6 N -1.73 6.73 0.26 6.66 1.04 -1.26 -5.02 113.70 120.38 2klo s SER 6 Ca 0.75 2.52 -0.09 0.00 0.48 0.00 0.00 55.95 59.61 2klo s SER 6 Cb -0.27 -2.61 -0.01 0.00 0.10 0.00 0.00 66.02 63.24 2klo s SER 6 CO 0.30 -0.68 0.43 0.00 0.98 0.00 0.00 173.24 174.28 2klo s ALA 7 N 0.50 0.16 0.16 5.32 0.00 -1.26 -5.19 121.76 121.45 2klo s ALA 7 Ca 0.62 -1.13 -0.03 0.00 0.00 0.00 0.00 51.96 51.43 2klo s ALA 7 Cb -0.40 1.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 2klo s ALA 7 CO 0.37 -0.81 0.13 -0.48 0.00 0.00 0.00 175.76 174.97 2klo s LEU 8 N -3.09 1.38 0.31 0.00 0.05 -1.26 -5.19 118.68 110.88 2klo s LEU 8 Ca 0.26 -1.22 0.01 0.00 0.05 0.00 0.00 54.13 53.24 2klo s LEU 8 Cb 0.00 0.51 -0.02 0.00 -2.05 0.00 0.00 46.19 44.64 2klo s LEU 8 CO 0.12 -0.81 0.33 -0.54 -0.55 0.00 0.00 176.35 174.90 2klo s LYS 9 N -4.08 1.70 0.00 1.48 1.02 -1.26 -5.15 119.74 113.46 2klo s LYS 9 Ca 0.28 -1.81 0.00 0.00 0.02 0.00 0.00 55.97 54.47 2klo s LYS 9 Cb 0.06 0.37 0.00 0.00 -0.52 0.00 0.00 37.83 37.74 2klo s LYS 9 CO 0.05 -0.65 0.00 0.41 -0.92 0.00 0.00 175.35 174.24 2klo n GLY 10 N -0.52 2.68 2.59 -3.33 0.00 -1.26 -5.06 105.19 100.29 2klo n GLY 10 Ca 0.04 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.49 0.78 -0.07 1.61 1.01 -1.26 -5.01 120.40 116.96 2klo s VAL 11 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 61.98 59.87 2klo s VAL 11 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.83 2klo s VAL 11 CO 0.00 -0.93 0.61 -1.54 0.00 0.00 0.00 175.10 173.23 2klo n SER 12 N 3.82 1.80 0.40 3.32 3.41 -1.26 -4.35 113.62 120.76 2klo n SER 12 Ca 0.10 -1.27 -0.16 0.00 -0.26 0.00 0.00 58.87 57.29 2klo n SER 12 Cb 0.36 -0.32 -0.08 0.00 -0.26 0.00 0.00 64.21 63.92 2klo n SER 12 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 2klo h GLN 13 N 0.71 -0.99 0.00 4.33 3.07 -2.00 -2.43 115.11 117.80 2klo h GLN 13 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.81 2klo h GLN 13 Cb 0.61 0.23 0.00 0.00 0.08 0.00 0.00 27.48 28.39 2klo h GLN 13 CO 0.00 -0.66 0.00 0.00 0.09 0.00 0.00 178.83 178.26 2klo n ALA 14 N -2.64 1.41 -0.02 0.06 0.00 -1.26 -2.01 120.51 116.05 2klo n ALA 14 Ca -0.13 0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 2klo n ALA 14 Cb 0.41 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.04 -2.31 0.00 7.12 -1.81 -3.31 115.31 114.97 2klo h LEU 15 Ca 0.00 -0.60 0.00 0.00 0.13 0.00 0.00 57.88 57.41 2klo h LEU 15 Cb 0.20 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.34 2klo h LEU 15 CO 0.00 0.61 0.00 -0.07 -0.13 0.00 0.00 178.44 178.85 2klo h LEU 16 N -0.72 0.00 0.00 2.25 3.38 -0.91 -3.20 115.31 116.12 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 0.01 0.00 0.07 -0.62 0.09 0.00 0.00 178.44 177.98 2klo n GLU 17 N -2.96 0.00 0.21 1.13 -0.58 -1.22 -1.05 120.64 116.17 2klo n GLU 17 Ca -0.02 0.42 0.09 0.00 -0.42 0.00 0.00 57.16 57.24 2klo n GLU 17 Cb 0.14 -1.57 0.39 0.00 -0.57 0.00 0.00 31.44 29.84 2klo n GLU 17 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 2klo h ARG 18 N 0.00 0.00 -0.93 3.49 -0.00 -1.82 -3.29 114.38 111.82 2klo h ARG 18 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 59.98 60.16 2klo h ARG 18 Cb 0.13 0.00 -0.08 0.00 -0.00 0.00 0.00 29.97 30.03 2klo h ARG 18 CO 0.00 0.24 0.60 0.82 -0.00 0.00 0.00 179.97 181.63 2klo h ILE 19 N 0.00 0.75 -0.73 0.08 2.04 -1.39 -1.57 117.51 116.69 2klo h ILE 19 Ca -0.00 -0.21 0.13 0.00 1.00 0.00 0.00 64.86 65.78 2klo h ILE 19 Cb 0.84 0.08 -0.09 0.00 -0.74 0.00 0.00 36.82 36.91 2klo h ILE 19 CO 0.03 0.11 0.29 0.08 0.00 0.00 0.00 178.15 178.66 2klo h ARG 20 N 0.61 0.43 -0.01 2.37 -0.00 -1.80 0.11 114.38 116.09 2klo h ARG 20 Ca 0.49 -0.03 -0.22 0.00 -0.00 0.00 0.00 59.98 60.22 2klo h ARG 20 Cb 0.93 -0.10 0.00 0.00 -0.00 0.00 0.00 29.97 30.80 2klo h ARG 20 CO -0.24 0.28 -0.93 0.00 -0.00 0.00 0.00 179.97 179.09 2klo h ALA 21 N 1.52 0.38 -0.18 0.08 0.00 -1.56 -2.50 119.26 117.01 2klo h ALA 21 Ca 0.39 -0.70 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2klo h ALA 21 Cb 0.57 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2klo h ALA 21 CO -0.39 0.82 -0.04 0.87 0.00 0.00 0.00 179.25 180.51 2klo h LYS 22 N 0.23 0.26 0.14 0.00 1.57 -0.54 -2.44 116.57 115.79 2klo h LYS 22 Ca -0.07 -0.05 -0.29 0.00 -1.87 0.00 0.00 60.65 58.37 2klo h LYS 22 Cb 1.56 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.83 2klo h LYS 22 CO 0.16 0.33 -1.39 1.05 -0.57 0.00 0.00 179.45 179.03 2klo h GLU 23 N 0.26 0.29 -0.12 3.15 4.11 -0.87 -3.37 114.58 118.03 2klo h GLU 23 Ca 0.06 -0.50 0.03 0.00 0.07 0.00 0.00 59.36 59.02 2klo h GLU 23 Cb 0.25 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2klo h GLU 23 CO 0.01 1.20 -0.08 0.28 0.07 0.00 0.00 179.01 180.49 2klo h VAL 24 N 0.08 0.76 0.00 -1.06 2.07 -0.98 0.64 116.25 117.76 2klo h VAL 24 Ca -0.19 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2klo h VAL 24 Cb 2.01 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2klo h VAL 24 CO 0.20 0.00 0.07 0.06 0.02 0.00 0.00 177.57 177.92 2klo h GLN 25 N -0.08 0.00 0.03 1.57 -0.00 -1.65 -0.81 115.11 114.18 2klo h GLN 25 Ca 0.07 0.00 -0.37 0.00 -0.00 0.00 0.00 58.65 58.36 2klo h GLN 25 Cb 0.19 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.62 2klo h GLN 25 CO -0.17 0.00 -2.10 1.17 -0.00 0.00 0.00 178.83 177.73 2klo n LYS 26 N -2.38 0.65 0.27 0.06 4.81 -0.39 -4.22 118.16 116.95 2klo n LYS 26 Ca -0.02 0.30 0.17 0.00 -0.87 0.00 0.00 58.31 57.89 2klo n LYS 26 Cb 0.11 -1.61 0.92 0.00 0.02 0.00 0.00 35.03 34.46 2klo n LYS 26 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2klo h GLN 27 N -0.43 0.00 0.00 1.64 1.08 0.36 -1.14 115.11 116.61 2klo h GLN 27 Ca -0.52 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.68 2klo h GLN 27 Cb 1.74 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.17 2klo h GLN 27 CO -0.15 0.00 0.00 -0.11 -0.95 0.00 0.00 178.83 177.62 2klo n LEU 28 N -3.70 0.44 -4.10 1.46 7.94 -0.44 -4.56 117.00 114.05 2klo n LEU 28 Ca -0.01 0.69 -0.18 0.00 -1.11 0.00 0.00 56.01 55.39 2klo n LEU 28 Cb 0.19 -0.73 -0.13 0.00 0.53 0.00 0.00 43.42 43.28 2klo n LEU 28 CO 0.26 -0.79 -0.45 0.00 -1.11 0.00 0.00 177.39 175.30 2klo s ALA 29 N -3.39 0.97 -0.47 1.96 0.00 -0.43 -5.12 121.76 115.28 2klo s ALA 29 Ca -0.01 -0.72 -0.22 0.00 0.00 0.00 0.00 51.96 51.01 2klo s ALA 29 Cb 0.05 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.06 2klo s ALA 29 CO 0.18 0.17 0.77 0.50 0.00 0.00 0.00 175.76 177.38 2klo s ARG 30 N -1.02 3.34 0.28 0.00 3.52 -1.26 -4.94 118.95 118.86 2klo s ARG 30 Ca 0.00 -0.27 0.02 0.00 -0.13 0.00 0.00 55.73 55.35 2klo s ARG 30 Cb -0.07 -3.98 -0.05 0.00 -1.56 0.00 0.00 34.95 29.29 2klo s ARG 30 CO 0.01 -1.17 0.11 -1.64 -0.81 0.00 0.00 175.30 171.79 2klo s MET 31 N 3.25 1.48 -0.25 5.12 -1.94 -1.26 -5.10 119.30 120.59 2klo s MET 31 Ca 0.27 -1.81 -0.41 0.00 -1.71 0.00 0.00 55.69 52.03 2klo s MET 31 Cb -0.13 -0.29 -0.17 0.00 2.01 0.00 0.00 34.83 36.25 2klo s MET 31 CO 0.20 -0.32 1.64 -2.37 -0.01 0.00 0.00 175.02 174.17 2klo n THR 32 N -0.52 0.21 -3.91 2.05 5.66 -1.26 -4.97 114.28 111.55 2klo n THR 32 Ca -0.00 -0.04 -0.10 0.00 -3.05 0.00 0.00 64.05 60.86 2klo n THR 32 Cb 0.66 -1.02 -0.10 0.00 -1.55 0.00 0.00 70.33 68.32 2klo n THR 32 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2klo s ARG 33 N 2.92 0.47 0.27 1.09 1.81 -1.26 -5.07 118.95 119.18 2klo s ARG 33 Ca 0.97 -0.53 0.00 0.00 -1.72 0.00 0.00 55.73 54.45 2klo s ARG 33 Cb -1.13 0.19 0.00 0.00 -0.45 0.00 0.00 34.95 33.56 2klo s ARG 33 CO 0.65 -0.11 0.00 0.00 -0.68 0.00 0.00 175.30 175.16 2klo n PRO 35 N -3.14 0.07 0.15 0.00 -0.04 -1.26 -1.64 135.00 129.14 2klo n PRO 35 Ca 0.00 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 64.01 2klo n PRO 35 Cb 0.00 -1.67 0.53 0.00 -0.04 0.00 0.00 33.50 32.33 2klo n PRO 35 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2klo n GLU 36 N -1.80 0.18 0.27 0.54 0.00 -1.26 -2.25 120.64 116.32 2klo n GLU 36 Ca 0.01 0.50 0.18 0.00 0.00 0.00 0.00 57.16 57.86 2klo n GLU 36 Cb 0.11 -1.92 0.94 0.00 0.00 0.00 0.00 31.44 30.57 2klo n GLU 36 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 2klo h GLN 37 N 0.00 0.00 -0.95 5.31 4.20 -1.71 -1.48 115.11 120.48 2klo h GLN 37 Ca 0.00 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.90 2klo h GLN 37 Cb 0.24 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.94 2klo h GLN 37 CO 0.00 0.00 0.61 1.49 -0.67 0.00 0.00 178.83 180.26 2klo h GLU 38 N 0.00 0.58 -0.75 1.46 4.81 -1.72 -0.01 114.58 118.95 2klo h GLU 38 Ca 0.04 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2klo h GLU 38 Cb 0.35 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 2klo h GLU 38 CO -0.00 0.39 0.48 -0.07 -0.73 0.00 0.00 179.01 179.08 2klo h LEU 39 N 0.60 0.79 -0.33 1.64 3.38 -1.52 0.38 115.31 120.26 2klo h LEU 39 Ca 0.52 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.42 2klo h LEU 39 Cb 1.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2klo h LEU 39 CO -0.27 0.55 -0.06 0.03 0.09 0.00 0.00 178.44 178.79 2klo h ARG 40 N 0.94 0.62 0.01 1.13 2.47 -1.18 -0.81 114.38 117.55 2klo h ARG 40 Ca 0.30 -0.23 0.01 0.00 -1.26 0.00 0.00 59.98 58.80 2klo h ARG 40 Cb 0.01 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 2klo h ARG 40 CO -0.11 0.78 -0.05 -0.07 0.56 0.00 0.00 179.97 181.09 2klo h LEU 41 N 0.40 -0.14 -1.54 3.04 3.38 -1.01 -1.63 115.31 117.83 2klo h LEU 41 Ca 0.09 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2klo h LEU 41 Cb 0.54 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2klo h LEU 41 CO 0.03 -0.07 0.34 1.56 0.09 0.00 0.00 178.44 180.38 2klo h GLN 42 N -0.09 0.60 -0.75 1.13 1.08 -0.84 0.15 115.11 116.40 2klo h GLN 42 Ca 0.02 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 2klo h GLN 42 Cb 0.11 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 2klo h GLN 42 CO -0.04 0.40 0.32 0.00 -0.95 0.00 0.00 178.83 178.56 2klo h ARG 43 N 0.62 1.10 0.04 1.46 2.47 -0.18 -1.48 114.38 118.41 2klo h ARG 43 Ca 0.20 -0.19 -0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2klo h ARG 43 Cb 0.03 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.16 2klo h ARG 43 CO -0.05 0.89 -0.02 -0.07 0.56 0.00 0.00 179.97 181.28 2klo h LEU 44 N 1.07 -0.04 0.00 3.04 3.38 -0.87 -3.29 115.31 118.60 2klo h LEU 44 Ca 0.25 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2klo h LEU 44 Cb 0.18 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2klo h LEU 44 CO -0.03 0.68 0.00 -0.62 0.09 0.00 0.00 178.44 178.57 2klo n GLU 45 N -4.76 0.03 0.00 1.13 1.02 0.45 -1.55 120.64 116.96 2klo n GLU 45 Ca -0.09 0.33 0.13 0.00 -0.02 0.00 0.00 57.16 57.51 2klo n GLU 45 Cb 0.34 -1.50 0.69 0.00 -0.02 0.00 0.00 31.44 30.95 2klo n GLU 45 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2klo n ARG 46 N -1.39 0.48 -0.15 3.49 1.74 -0.56 -4.20 116.66 116.07 2klo n ARG 46 Ca 0.02 0.03 -0.08 0.00 -0.77 0.00 0.00 57.85 57.05 2klo n ARG 46 Cb 0.05 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.92 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 0.00 -1.24 -1.43 0.55 3.38 -1.51 0.22 115.31 115.28 2klo h LEU 47 Ca 0.00 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2klo h LEU 47 Cb 0.19 0.52 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2klo h LEU 47 CO 0.00 -0.22 0.25 1.55 0.09 0.00 0.00 178.44 180.11 2klo h PRO 48 N -0.17 0.64 -0.32 1.13 0.13 -1.87 -2.58 132.00 128.96 2klo h PRO 48 Ca 0.06 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 2klo h PRO 48 Cb 0.33 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.32 2klo h PRO 48 CO -0.45 0.47 0.00 0.93 -0.23 0.00 0.00 178.00 178.73 2klo h GLU 49 N 0.65 0.56 -0.82 0.86 3.07 -1.53 0.38 114.58 117.75 2klo h GLU 49 Ca 0.17 -0.18 0.06 0.00 -0.50 0.00 0.00 59.36 58.91 2klo h GLU 49 Cb 0.03 -0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 27.83 2klo h GLU 49 CO -0.03 0.69 0.51 -0.07 -1.40 0.00 0.00 179.01 178.71 2klo h LEU 50 N 0.37 0.80 0.24 1.33 -0.00 -0.23 0.13 115.31 117.95 2klo h LEU 50 Ca 0.09 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.97 2klo h LEU 50 Cb 0.43 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.94 2klo h LEU 50 CO 0.02 0.52 -0.12 0.00 -0.00 0.00 0.00 178.44 178.86 2klo h ALA 51 N 1.38 -0.32 -0.39 1.53 0.00 -1.24 -2.36 119.26 117.86 2klo h ALA 51 Ca 0.35 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2klo h ALA 51 Cb 0.14 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2klo h ALA 51 CO -0.16 -0.48 0.11 0.00 0.00 0.00 0.00 179.25 178.72 2klo h ARG 52 N -0.73 0.24 -0.62 0.00 3.08 -0.63 -2.37 114.38 113.35 2klo h ARG 52 Ca -0.03 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2klo h ARG 52 Cb 0.49 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 2klo h ARG 52 CO 0.05 0.16 0.26 0.28 -1.07 0.00 0.00 179.97 179.65 2klo h VAL 53 N 0.25 1.23 -0.15 2.04 2.07 -0.83 -2.44 116.25 118.42 2klo h VAL 53 Ca 0.18 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 67.06 2klo h VAL 53 Cb 0.19 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 2klo h VAL 53 CO -0.21 0.27 -0.18 0.25 0.02 0.00 0.00 177.57 177.72 2klo h LEU 54 N 0.86 -0.57 -1.55 2.57 5.85 -0.91 0.22 115.31 121.76 2klo h LEU 54 Ca 0.21 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 2klo h LEU 54 Cb 0.18 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2klo h LEU 54 CO -0.02 -0.23 0.14 0.08 -0.34 0.00 0.00 178.44 178.07 2klo h ARG 55 N -0.22 0.44 -0.35 1.25 0.11 -1.37 -1.60 114.38 112.64 2klo h ARG 55 Ca 0.10 -0.05 -0.07 0.00 0.10 0.00 0.00 59.98 60.07 2klo h ARG 55 Cb 0.38 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 31.35 2klo h ARG 55 CO -0.28 0.35 -0.08 -0.97 0.10 0.00 0.00 179.97 179.09 2klo h ASN 56 N 0.44 0.56 0.31 0.08 -1.24 -0.56 -1.69 115.58 113.49 2klo h ASN 56 Ca 0.11 -0.14 -0.02 0.00 0.71 0.00 0.00 56.30 56.97 2klo h ASN 56 Cb 0.07 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 38.97 2klo h ASN 56 CO -0.01 0.69 -0.15 0.58 -1.29 0.00 0.00 177.43 177.24 2klo h VAL 57 N 0.54 0.69 -0.65 2.57 2.07 -0.04 -2.28 116.25 119.15 2klo h VAL 57 Ca 0.10 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 2klo h VAL 57 Cb 0.47 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2klo h VAL 57 CO 0.03 0.11 0.38 -0.26 0.02 0.00 0.00 177.57 177.84 2klo h PHE 58 N -0.75 0.87 -0.34 1.57 -1.00 -1.44 0.91 116.94 116.77 2klo h PHE 58 Ca -0.04 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.73 2klo h PHE 58 Cb 0.50 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 39.76 2klo h PHE 58 CO 0.02 0.60 0.22 -0.24 -1.61 0.00 0.00 178.31 177.30 2klo h VAL 59 N 0.88 1.08 0.02 -0.55 3.04 -1.32 -1.13 116.25 118.27 2klo h VAL 59 Ca 0.23 -0.16 -0.21 0.00 -1.01 0.00 0.00 66.70 65.55 2klo h VAL 59 Cb 0.00 0.59 -0.01 0.00 -2.01 0.00 0.00 31.29 29.86 2klo h VAL 59 CO -0.04 0.08 -0.95 -1.28 -1.01 0.00 0.00 177.57 174.37 2klo h SER 60 N 0.45 0.24 1.38 3.17 0.87 -0.67 -3.28 113.55 115.70 2klo h SER 60 Ca 0.12 -0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.45 2klo h SER 60 Cb -0.05 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 61.83 2klo h SER 60 CO -0.03 1.06 -0.12 -0.08 -0.53 0.00 0.00 176.83 177.13 2klo h GLU 61 N 0.08 0.00 -0.12 2.24 4.57 0.30 -3.48 114.58 118.18 2klo h GLU 61 Ca -0.05 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 2klo h GLU 61 Cb 1.62 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.19 2klo h GLU 61 CO 0.14 0.12 -0.05 -2.13 -1.18 0.00 0.00 179.01 175.92 2klo n ARG 62 N -3.18 -0.99 -4.49 1.92 0.63 -0.60 -5.00 116.66 104.94 2klo n ARG 62 Ca 0.02 0.41 -0.25 0.00 -0.92 0.00 0.00 57.85 57.10 2klo n ARG 62 Cb 0.46 -4.24 -0.17 0.00 0.45 0.00 0.00 32.46 28.96 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 1.74 0.00 -0.14 -2.85 -1.25 -5.03 119.74 110.72 2klo s LYS 63 Ca 0.00 -0.41 0.31 0.00 -1.00 0.00 0.00 55.97 54.87 2klo s LYS 63 Cb 0.00 -1.49 1.68 0.00 -2.06 0.00 0.00 37.83 35.96 2klo s LYS 63 CO 0.00 -0.02 2.12 -0.35 0.10 0.00 0.00 175.35 177.20 2klo n PRO 64 N 4.00 0.81 -3.77 1.78 -0.04 -1.26 -4.74 135.00 131.79 2klo n PRO 64 Ca -0.21 -0.06 -0.13 0.00 -0.04 0.00 0.00 63.50 63.05 2klo n PRO 64 Cb 0.51 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 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 -2.24 -0.31 0.19 0.55 0.00 -1.26 -2.00 121.76 116.68 2klo s ALA 65 Ca 0.39 0.63 0.09 0.00 0.00 0.00 0.00 51.96 53.07 2klo s ALA 65 Cb 0.21 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 2klo s ALA 65 CO 0.41 -0.14 -0.17 -0.51 0.00 0.00 0.00 175.76 175.35 2klo s LEU 66 N 0.88 2.49 0.64 0.00 1.02 -0.59 -4.95 118.68 118.17 2klo s LEU 66 Ca -0.07 -0.93 -0.17 0.00 0.02 0.00 0.00 54.13 52.98 2klo s LEU 66 Cb -0.09 -0.81 -0.01 0.00 0.02 0.00 0.00 46.19 45.30 2klo s LEU 66 CO -0.05 -0.07 1.18 -0.89 0.02 0.00 0.00 176.35 176.55 2klo s THR 67 N -2.40 2.70 0.12 5.49 2.01 -1.26 -0.87 115.64 121.43 2klo s THR 67 Ca 0.20 0.39 -0.20 0.00 0.31 0.00 0.00 61.69 62.39 2klo s THR 67 Cb -0.04 -3.05 -0.06 0.00 0.01 0.00 0.00 72.50 69.36 2klo s THR 67 CO 0.08 -0.14 1.77 -0.03 -0.69 0.00 0.00 174.62 175.60 2klo h MET 68 N 0.46 0.22 -0.44 4.92 4.05 -1.24 -1.76 114.93 121.13 2klo h MET 68 Ca -0.49 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 58.89 2klo h MET 68 Cb 1.28 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 32.02 2klo h MET 68 CO 0.54 0.14 0.18 1.49 0.23 0.00 0.00 176.91 179.49 2klo h GLU 69 N 0.22 0.66 0.27 0.39 4.81 -1.92 -0.74 114.58 118.26 2klo h GLU 69 Ca 0.08 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2klo h GLU 69 Cb 0.00 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 2klo h GLU 69 CO -0.04 0.60 -0.36 0.28 -0.73 0.00 0.00 179.01 178.75 2klo h VAL 70 N 0.57 0.25 -0.11 0.32 2.07 -1.87 0.01 116.25 117.50 2klo h VAL 70 Ca 0.15 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.61 2klo h VAL 70 Cb 0.18 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2klo h VAL 70 CO -0.01 0.00 -0.22 1.62 0.02 0.00 0.00 177.57 178.98 2klo h VAL 71 N -0.69 1.21 0.13 2.57 3.04 -1.26 -1.88 116.25 119.37 2klo h VAL 71 Ca -0.00 -0.97 -0.01 0.00 -1.01 0.00 0.00 66.70 64.71 2klo h VAL 71 Cb 0.65 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 2klo h VAL 71 CO -0.12 0.29 -0.06 0.00 -1.01 0.00 0.00 177.57 176.66 2klo h ALA 73 N 0.21 1.46 -0.75 0.00 0.00 -0.92 -0.32 119.26 118.93 2klo h ALA 73 Ca -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2klo h ALA 73 Cb 0.45 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2klo h ALA 73 CO 0.03 0.42 0.37 0.00 0.00 0.00 0.00 179.25 180.07 2klo h ARG 74 N 1.11 1.07 0.20 0.00 2.47 -1.20 -2.08 114.38 115.94 2klo h ARG 74 Ca 0.40 -0.15 -0.01 0.00 -1.26 0.00 0.00 59.98 58.95 2klo h ARG 74 Cb 0.14 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 2klo h ARG 74 CO -0.14 0.83 -0.10 0.52 0.56 0.00 0.00 179.97 181.64 2klo h MET 75 N 1.05 -0.26 -0.14 0.04 2.86 -0.02 -3.30 114.93 115.16 2klo h MET 75 Ca 0.26 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.94 2klo h MET 75 Cb 0.10 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2klo h MET 75 CO -0.03 0.14 0.09 -0.24 1.06 0.00 0.00 176.91 177.93 2klo h VAL 76 N -0.85 0.98 0.00 -2.22 3.04 -1.13 -1.05 116.25 115.01 2klo h VAL 76 Ca -0.03 -0.03 -0.02 0.00 -1.01 0.00 0.00 66.70 65.61 2klo h VAL 76 Cb 0.51 0.88 -0.00 0.00 -2.01 0.00 0.00 31.29 30.68 2klo h VAL 76 CO 0.04 0.02 -0.10 -0.78 -1.01 0.00 0.00 177.57 175.74 2klo h ASP 77 N 0.09 0.00 0.36 3.17 3.58 -1.45 -0.81 116.42 121.36 2klo h ASP 77 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2klo h ASP 77 Cb 0.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.17 2klo h ASP 77 CO -0.01 0.10 0.00 -0.24 -2.88 0.00 0.00 179.24 176.22 2klo n SER 78 N -3.88 0.00 0.00 2.28 2.88 -0.40 -3.13 113.62 111.37 2klo n SER 78 Ca -0.02 0.09 0.04 0.00 -1.33 0.00 0.00 58.87 57.65 2klo n SER 78 Cb 0.20 -0.31 0.20 0.00 -0.75 0.00 0.00 64.21 63.55 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 -1.36 1.02 0.00 0.00 10.64 -1.18 -3.90 117.38 122.59 2klo n GLN 80 Ca 0.03 -1.05 0.00 0.00 -1.83 0.00 0.00 57.00 54.15 2klo n GLN 80 Cb 0.08 -2.30 0.00 0.00 -0.86 0.00 0.00 30.24 27.16 2klo n GLN 80 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 2klo n THR 81 N 4.87 0.00 -2.03 -0.39 5.66 -1.26 -5.08 114.28 116.06 2klo n THR 81 Ca 0.26 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.26 2klo n THR 81 Cb 0.12 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 68.89 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 2.10 -2.58 1.79 0.00 -1.25 -5.12 120.51 112.44 2klo n ALA 82 Ca 0.00 -0.64 -0.23 0.00 0.00 0.00 0.00 53.44 52.56 2klo n ALA 82 Cb 0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 19.45 19.08 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 0.00 3.09 0.41 0.00 0.05 -1.26 -5.15 118.68 115.83 2klo s LEU 83 Ca 0.02 -0.78 -0.02 0.00 0.05 0.00 0.00 54.13 53.40 2klo s LEU 83 Cb 0.02 -1.57 -0.03 0.00 -2.05 0.00 0.00 46.19 42.55 2klo s LEU 83 CO -0.01 -0.09 0.67 -0.94 -0.55 0.00 0.00 176.35 175.43 2klo s SER 84 N -3.69 6.28 0.58 1.48 1.04 -1.26 -4.85 113.70 113.27 2klo s SER 84 Ca 0.33 0.68 0.27 0.00 0.48 0.00 0.00 55.95 57.71 2klo s SER 84 Cb -0.04 -2.13 1.65 0.00 0.10 0.00 0.00 66.02 65.59 2klo s SER 84 CO 0.20 -0.44 2.14 1.55 0.98 0.00 0.00 173.24 177.67 2klo h PRO 85 N 0.49 0.00 0.00 4.02 0.13 -1.95 -2.75 132.00 131.95 2klo h PRO 85 Ca -0.48 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 2klo h PRO 85 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2klo h PRO 85 CO 0.61 0.00 -0.32 0.78 -0.23 0.00 0.00 178.00 178.85 2klo h GLY 86 N 0.00 0.00 0.87 1.56 0.00 -2.01 -3.30 103.07 100.19 2klo h GLY 86 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 2klo h GLY 86 CO -0.00 0.00 0.05 0.83 0.00 0.00 0.00 176.54 177.42 2klo h GLU 87 N 0.00 0.22 -0.67 4.80 4.39 -1.89 -2.55 114.58 118.88 2klo h GLU 87 Ca -0.00 -0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.74 2klo h GLU 87 Cb 1.24 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.79 2klo h GLU 87 CO 0.04 0.33 0.33 1.98 -1.16 0.00 0.00 179.01 180.52 2klo h MET 88 N 0.07 0.55 -0.26 2.33 4.05 -1.71 -1.67 114.93 118.29 2klo h MET 88 Ca 0.05 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.43 2klo h MET 88 Cb 0.19 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 2klo h MET 88 CO -0.00 0.37 0.16 0.93 0.23 0.00 0.00 176.91 178.59 2klo h GLU 89 N 0.57 0.36 0.00 0.39 5.08 -1.59 -1.37 114.58 118.01 2klo h GLU 89 Ca 0.33 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 2klo h GLU 89 Cb 0.33 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2klo h GLU 89 CO -0.26 0.29 -0.06 0.87 -1.00 0.00 0.00 179.01 178.85 2klo h LYS 90 N 0.33 0.00 0.04 2.33 1.57 -0.93 -1.92 116.57 117.99 2klo h LYS 90 Ca 0.09 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.65 2klo h LYS 90 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2klo h LYS 90 CO -0.02 0.06 -1.00 1.25 -0.57 0.00 0.00 179.45 179.18 2klo h HIS 91 N 0.00 0.28 -0.21 -1.35 2.76 -0.44 -2.54 115.15 113.64 2klo h HIS 91 Ca -0.00 -0.18 -0.00 0.00 -2.20 0.00 0.00 60.37 57.99 2klo h HIS 91 Cb 0.13 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 2klo h HIS 91 CO 0.00 1.06 0.12 -0.07 -1.30 0.00 0.00 177.93 177.74 2klo h LEU 92 N 0.07 0.26 -0.61 0.26 3.38 -0.50 -2.62 115.31 115.56 2klo h LEU 92 Ca -0.06 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 2klo h LEU 92 Cb 1.69 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 2klo h LEU 92 CO 0.15 0.25 -0.26 1.62 0.09 0.00 0.00 178.44 180.30 2klo h VAL 93 N 0.25 1.27 -0.56 1.22 3.04 -1.53 -2.67 116.25 117.27 2klo h VAL 93 Ca 0.08 -1.40 0.06 0.00 -1.01 0.00 0.00 66.70 64.43 2klo h VAL 93 Cb 0.05 1.24 -0.05 0.00 -2.01 0.00 0.00 31.29 30.52 2klo h VAL 93 CO -0.01 0.47 0.27 0.17 -1.01 0.00 0.00 177.57 177.45 2klo h LEU 94 N 0.71 0.36 0.37 3.16 8.10 -1.18 -0.37 115.31 126.45 2klo h LEU 94 Ca 0.09 0.04 -0.02 0.00 0.11 0.00 0.00 57.88 58.10 2klo h LEU 94 Cb 0.80 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 41.00 2klo h LEU 94 CO 0.07 0.24 -0.18 -0.07 -4.11 0.00 0.00 178.44 174.39 2klo h LEU 95 N 0.51 -0.42 -2.24 0.17 3.38 -1.45 -1.98 115.31 113.28 2klo h LEU 95 Ca 0.26 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.17 2klo h LEU 95 Cb 0.21 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2klo h LEU 95 CO -0.20 -0.14 0.25 0.00 0.09 0.00 0.00 178.44 178.44 2klo h ALA 96 N -0.16 1.61 0.00 1.53 0.00 -1.10 0.05 119.26 121.19 2klo h ALA 96 Ca -0.05 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 2klo h ALA 96 Cb 0.49 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2klo h ALA 96 CO 0.08 -0.32 -1.37 1.49 0.00 0.00 0.00 179.25 179.13 2klo h GLU 97 N 0.00 0.00 0.00 0.00 4.57 -0.77 -3.08 114.58 115.31 2klo h GLU 97 Ca 0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2klo h GLU 97 Cb 0.56 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2klo h GLU 97 CO -0.00 0.27 -1.22 1.28 -1.18 0.00 0.00 179.01 178.16 2klo n LEU 98 N -2.88 0.76 -2.99 1.64 4.77 -0.63 -4.61 117.00 113.06 2klo n LEU 98 Ca -0.09 -0.37 -0.15 0.00 -0.03 0.00 0.00 56.01 55.37 2klo n LEU 98 Cb 0.82 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.91 2klo n LEU 98 CO 0.43 0.19 -0.02 0.00 -1.33 0.00 0.00 177.39 176.65 2klo n LEU 99 N -1.68 -0.88 0.00 2.23 -0.00 -0.09 -4.99 117.00 111.58 2klo n LEU 99 Ca 0.02 -4.26 0.07 0.00 -0.00 0.00 0.00 56.01 51.83 2klo n LEU 99 Cb 0.39 0.78 0.36 0.00 -0.00 0.00 0.00 43.42 44.95 2klo n LEU 99 CO 0.44 2.12 0.64 -0.81 -0.00 0.00 0.00 177.39 179.78 2klo n PRO 100 N 0.87 0.30 0.02 1.47 -0.04 -1.16 -1.88 135.00 134.58 2klo n PRO 100 Ca 0.16 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.82 2klo n PRO 100 Cb 0.63 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.64 2klo n PRO 100 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2klo n ASP 101 N -1.15 0.63 -0.08 3.54 9.92 -1.26 -4.39 116.55 123.76 2klo n ASP 101 Ca 0.08 -0.26 -0.10 0.00 -0.53 0.00 0.00 54.79 53.98 2klo n ASP 101 Cb 0.08 0.72 -0.04 0.00 -0.64 0.00 0.00 41.12 41.23 2klo n ASP 101 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 2klo n TRP 102 N -1.88 0.79 -3.88 1.24 -0.00 -0.79 -4.80 117.44 108.13 2klo n TRP 102 Ca 0.03 0.34 -0.35 0.00 -0.00 0.00 0.00 57.50 57.51 2klo n TRP 102 Cb 0.42 -0.83 -0.11 0.00 -0.00 0.00 0.00 31.31 30.79 2klo n TRP 102 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 177.69 176.52 2klo s LEU 103 N -8.07 3.75 -0.03 5.87 2.96 -1.19 -2.36 118.68 119.61 2klo s LEU 103 Ca -0.21 -0.00 -0.01 0.00 -0.22 0.00 0.00 54.13 53.69 2klo s LEU 103 Cb 0.04 -1.98 0.03 0.00 0.50 0.00 0.00 46.19 44.78 2klo s LEU 103 CO 0.34 0.09 0.05 -0.94 -1.32 0.00 0.00 176.35 174.58 2klo s SER 104 N 0.88 0.31 0.36 3.68 1.04 -0.88 -4.64 113.70 114.44 2klo s SER 104 Ca 0.04 0.09 -0.02 0.00 0.48 0.00 0.00 55.95 56.55 2klo s SER 104 Cb -0.14 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.90 2klo s SER 104 CO 0.03 -0.16 0.59 -1.48 0.98 0.00 0.00 173.24 173.19 2klo s LEU 105 N 1.38 3.96 -0.13 2.42 0.05 -1.26 -0.46 118.68 124.63 2klo s LEU 105 Ca -0.05 0.59 -0.04 0.00 0.05 0.00 0.00 54.13 54.68 2klo s LEU 105 Cb -0.13 -3.46 0.05 0.00 -2.05 0.00 0.00 46.19 40.61 2klo s LEU 105 CO -0.03 -0.32 0.07 -1.00 -0.55 0.00 0.00 176.35 174.51 2klo s HIS 106 N -2.34 0.32 -0.61 3.48 3.76 0.18 -4.92 115.29 115.16 2klo s HIS 106 Ca 0.42 -0.24 -0.23 0.00 -0.15 0.00 0.00 55.06 54.86 2klo s HIS 106 Cb -0.10 -0.70 0.05 0.00 1.11 0.00 0.00 32.58 32.95 2klo s HIS 106 CO 0.36 -0.43 0.97 0.50 -0.85 0.00 0.00 174.74 175.29 2klo s ARG 107 N 2.09 3.21 0.09 1.40 6.06 -1.26 -1.71 118.95 128.83 2klo s ARG 107 Ca 0.03 -0.55 -0.03 0.00 -2.50 0.00 0.00 55.73 52.68 2klo s ARG 107 Cb -0.15 -4.15 -0.05 0.00 0.06 0.00 0.00 34.95 30.67 2klo s ARG 107 CO -0.07 -1.68 0.29 0.42 -2.50 0.00 0.00 175.30 171.76 2klo s ILE 108 N 4.09 5.28 0.62 4.11 -1.09 -0.24 -4.99 121.20 128.98 2klo s ILE 108 Ca 0.26 -0.11 0.29 0.00 -2.23 0.00 0.00 60.65 58.86 2klo s ILE 108 Cb -0.14 -3.62 0.34 0.00 -1.58 0.00 0.00 42.46 37.46 2klo s ILE 108 CO 0.14 0.14 1.94 0.08 -1.23 0.00 0.00 174.94 176.01 2klo h ARG 109 N 3.13 0.00 0.15 2.79 0.11 -2.04 -0.61 114.38 117.91 2klo h ARG 109 Ca -0.46 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.28 2klo h ARG 109 Cb 1.17 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.25 2klo h ARG 109 CO 0.73 0.00 -1.73 0.00 0.10 0.00 0.00 179.97 179.07 2klo h THR 110 N 0.00 0.87 -1.61 0.08 1.03 -2.01 -3.50 112.91 107.77 2klo h THR 110 Ca 0.10 -2.42 0.32 0.00 -0.01 0.00 0.00 66.41 64.39 2klo h THR 110 Cb 0.84 2.66 -0.11 0.00 -1.07 0.00 0.00 68.15 70.48 2klo h THR 110 CO -0.00 0.82 0.81 -0.62 -0.01 0.00 0.00 175.52 176.52 2klo s ASP 111 N -7.15 -0.05 -0.02 0.00 2.15 -0.24 -5.16 116.67 106.20 2klo s ASP 111 Ca -0.19 -0.18 -0.08 0.00 0.43 0.00 0.00 52.55 52.53 2klo s ASP 111 Cb 0.05 0.19 -0.05 0.00 -0.30 0.00 0.00 42.92 42.82 2klo s ASP 111 CO 0.80 -0.35 0.27 -0.89 -0.17 0.00 0.00 175.17 174.83 2klo s THR 112 N -2.42 5.29 0.13 1.71 2.01 -1.26 -1.08 115.64 120.02 2klo s THR 112 Ca 0.16 0.32 -0.01 0.00 0.31 0.00 0.00 61.69 62.47 2klo s THR 112 Cb 0.04 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 2klo s THR 112 CO -0.03 0.46 0.05 -0.31 -0.69 0.00 0.00 174.62 174.10 2klo s TYR 113 N -1.20 0.85 -0.07 4.92 1.51 -0.69 -0.74 117.35 121.93 2klo s TYR 113 Ca 0.24 -1.21 0.01 0.00 -1.01 0.00 0.00 57.07 55.09 2klo s TYR 113 Cb -0.14 -0.48 0.02 0.00 -0.11 0.00 0.00 41.96 41.25 2klo s TYR 113 CO 0.13 -0.49 -0.07 0.08 -1.11 0.00 0.00 175.55 174.09 2klo s VAL 114 N -4.02 0.79 0.08 0.71 1.01 -0.05 -0.65 120.40 118.27 2klo s VAL 114 Ca 0.23 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 2klo s VAL 114 Cb 0.07 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 2klo s VAL 114 CO 0.01 0.30 0.31 -0.54 0.00 0.00 0.00 175.10 175.17 2klo s LYS 115 N 1.17 3.57 0.09 2.72 -0.14 0.39 -1.53 119.74 126.00 2klo s LYS 115 Ca -0.06 -0.16 0.02 0.00 -1.36 0.00 0.00 55.97 54.42 2klo s LYS 115 Cb -0.14 -2.96 -0.04 0.00 -1.68 0.00 0.00 37.83 33.01 2klo s LYS 115 CO -0.01 0.56 -0.08 -1.17 -0.76 0.00 0.00 175.35 173.88 2klo s LEU 116 N -2.34 2.42 -0.29 3.17 1.98 -0.85 -2.08 118.68 120.68 2klo s LEU 116 Ca 0.35 -0.84 0.02 0.00 -2.89 0.00 0.00 54.13 50.78 2klo s LEU 116 Cb -0.13 -0.17 0.08 0.00 0.66 0.00 0.00 46.19 46.63 2klo s LEU 116 CO 0.23 -0.34 0.00 -0.62 -1.89 0.00 0.00 176.35 173.73 2klo s ASP 117 N -2.51 4.35 0.19 3.68 2.15 -0.99 -4.84 116.67 118.69 2klo s ASP 117 Ca 0.05 -1.67 0.24 0.00 0.43 0.00 0.00 52.55 51.59 2klo s ASP 117 Cb -0.01 -1.37 0.91 0.00 -0.30 0.00 0.00 42.92 42.15 2klo s ASP 117 CO -0.02 -0.31 1.72 0.29 -0.17 0.00 0.00 175.17 176.68 2klo n LYS 118 N 4.49 0.18 0.11 4.34 5.02 -1.26 -3.34 118.16 127.70 2klo n LYS 118 Ca -0.05 0.30 -0.01 0.00 -2.02 0.00 0.00 58.31 56.53 2klo n LYS 118 Cb 0.43 -1.78 0.24 0.00 -0.02 0.00 0.00 35.03 33.90 2klo n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2klo h ALA 119 N 2.44 1.13 -2.77 7.82 0.00 -2.00 -3.44 119.26 122.43 2klo h ALA 119 Ca 0.00 -0.42 -0.53 0.00 0.00 0.00 0.00 54.91 53.97 2klo h ALA 119 Cb 0.48 -0.09 0.07 0.00 0.00 0.00 0.00 17.79 18.26 2klo h ALA 119 CO 0.00 0.59 0.84 0.08 0.00 0.00 0.00 179.25 180.76 2klo s VAL 120 N -4.10 2.29 -0.31 0.00 1.01 -1.21 -4.90 120.40 113.19 2klo s VAL 120 Ca -0.04 0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 2klo s VAL 120 Cb 0.13 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 2klo s VAL 120 CO 0.76 0.04 1.49 -0.62 0.00 0.00 0.00 175.10 176.77 2klo s ASP 121 N 0.48 6.40 0.47 3.32 2.15 -1.26 -4.87 116.67 123.36 2klo s ASP 121 Ca 0.62 1.26 0.18 0.00 0.43 0.00 0.00 52.55 55.04 2klo s ASP 121 Cb -0.46 -2.54 1.18 0.00 -0.30 0.00 0.00 42.92 40.81 2klo s ASP 121 CO 0.45 -1.30 2.00 0.25 -0.17 0.00 0.00 175.17 176.40 2klo h LEU 122 N 11.80 0.21 -0.36 -1.34 7.12 -1.90 -2.01 115.31 128.82 2klo h LEU 122 Ca -0.30 0.01 0.05 0.00 0.13 0.00 0.00 57.88 57.77 2klo h LEU 122 Cb 1.13 -0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 41.17 2klo h LEU 122 CO 1.04 0.12 0.10 0.00 -0.13 0.00 0.00 178.44 179.57 2klo h ALA 123 N 1.74 0.41 0.00 1.25 0.00 -1.99 0.26 119.26 120.93 2klo h ALA 123 Ca 0.25 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 2klo h ALA 123 Cb 0.67 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2klo h ALA 123 CO -0.05 -0.29 -0.17 0.78 0.00 0.00 0.00 179.25 179.52 2klo h GLY 124 N 0.24 0.00 0.28 0.00 0.00 -1.77 -0.95 103.07 100.88 2klo h GLY 124 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 2klo h GLY 124 CO -0.19 0.00 -0.06 1.41 0.00 0.00 0.00 176.54 177.70 2klo h LEU 125 N 0.00 -0.13 -0.88 3.11 3.38 -1.04 -2.69 115.31 117.05 2klo h LEU 125 Ca -0.00 -0.42 0.14 0.00 0.09 0.00 0.00 57.88 57.69 2klo h LEU 125 Cb 0.33 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.02 2klo h LEU 125 CO 0.02 0.48 0.49 0.74 0.09 0.00 0.00 178.44 180.26 2klo h THR 126 N -0.88 0.79 0.62 0.22 2.02 -0.26 0.45 112.91 115.87 2klo h THR 126 Ca -0.02 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 2klo h THR 126 Cb 0.54 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2klo h THR 126 CO 0.03 0.13 -0.30 0.00 0.37 0.00 0.00 175.52 175.75 2klo h ALA 127 N 1.54 -1.19 -0.37 6.16 0.00 -1.24 -1.14 119.26 123.02 2klo h ALA 127 Ca 0.47 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.23 2klo h ALA 127 Cb 0.60 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2klo h ALA 127 CO -0.33 -1.13 0.25 0.07 0.00 0.00 0.00 179.25 178.11 2klo h ARG 128 N -0.85 0.33 0.33 0.00 0.11 -1.25 -1.22 114.38 111.83 2klo h ARG 128 Ca -0.09 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 59.97 2klo h ARG 128 Cb 0.64 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.63 2klo h ARG 128 CO 0.14 0.22 -0.24 1.25 0.10 0.00 0.00 179.97 181.44 2klo h LEU 129 N 0.34 -0.62 -0.95 0.08 6.46 -0.76 -2.35 115.31 117.51 2klo h LEU 129 Ca 0.16 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 2klo h LEU 129 Cb 0.19 0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 2klo h LEU 129 CO -0.03 -0.37 0.00 0.00 -0.62 0.00 0.00 178.44 177.42 2klo h ALA 130 N 0.05 1.00 0.00 1.25 0.00 -0.49 -3.14 119.26 117.93 2klo h ALA 130 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2klo h ALA 130 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2klo h ALA 130 CO 0.00 0.00 -0.56 0.45 0.00 0.00 0.00 179.25 179.14 2klo h HIS 131 N 0.00 0.00 -2.39 0.00 3.86 -0.72 -3.48 115.15 112.42 2klo h HIS 131 Ca 0.00 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.06 2klo h HIS 131 Cb 0.48 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.91 2klo h HIS 131 CO 0.00 0.00 -0.16 0.72 0.86 0.00 0.00 177.93 179.35 2klo n HIS 132 N -2.40 -0.92 -0.21 2.45 -0.00 -1.04 -4.85 115.22 108.25 2klo n HIS 132 Ca 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.73 2klo n HIS 132 Cb 0.48 -1.95 0.05 0.00 -0.00 0.00 0.00 29.99 28.57 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 0.31 -0.19 1.59 2.07 -1.91 -2.00 116.25 116.12 2klo h VAL 133 Ca -0.16 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 2klo h VAL 133 Cb 0.68 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2klo h VAL 133 CO 0.22 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 177.81 2klo n HIS 134 N -5.44 0.70 -3.42 1.57 -0.00 -1.26 -5.03 115.22 102.34 2klo n HIS 134 Ca 0.07 -0.91 -0.19 0.00 -0.00 0.00 0.00 57.72 56.69 2klo n HIS 134 Cb 0.34 -0.27 -0.00 0.00 -0.00 0.00 0.00 29.99 30.05 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 -2.85 4.19 0.00 1.59 0.00 -0.75 -5.01 121.76 118.93 2klo s ALA 135 Ca 0.40 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2klo s ALA 135 Cb 0.33 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.72 2klo s ALA 135 CO 0.07 -0.07 0.00 -0.85 0.00 0.00 0.00 175.76 174.91 2klo n GLU 136 N -1.69 0.61 0.00 0.00 0.28 -1.26 -5.01 120.64 113.58 2klo n GLU 136 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2klo n GLU 136 Cb 0.58 -0.66 0.00 0.00 1.43 0.00 0.00 31.44 32.79 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 1.72 0.81 0.00 -1.84 0.00 -1.26 -5.23 105.19 99.39 2klo n GLY 137 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2klo n GLY 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36