#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 0.63 0.33 0.55 0.00 -1.26 -5.20 121.76 116.81 2klo s ALA 2 Ca 0.00 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 50.55 2klo s ALA 2 Cb 0.00 1.16 -0.01 0.00 0.00 0.00 0.00 23.12 24.26 2klo s ALA 2 CO 0.00 -0.79 0.37 0.00 0.00 0.00 0.00 175.76 175.34 2klo s ALA 3 N -3.28 1.20 0.11 0.00 0.00 -1.26 -5.20 121.76 113.33 2klo s ALA 3 Ca 0.30 -1.73 -0.10 0.00 0.00 0.00 0.00 51.96 50.43 2klo s ALA 3 Cb 0.00 1.30 0.00 0.00 0.00 0.00 0.00 23.12 24.42 2klo s ALA 3 CO 0.18 -0.73 0.24 -1.54 0.00 0.00 0.00 175.76 173.91 2klo s SER 4 N -3.28 0.05 0.99 0.00 1.04 -1.26 -5.18 113.70 106.07 2klo s SER 4 Ca 0.35 -0.64 -0.15 0.00 0.48 0.00 0.00 55.95 55.99 2klo s SER 4 Cb 0.01 0.38 0.19 0.00 0.10 0.00 0.00 66.02 66.70 2klo s SER 4 CO 0.22 -0.78 1.21 -2.16 0.98 0.00 0.00 173.24 172.72 2klo s PRO 5 N -3.87 0.47 0.54 4.02 0.04 -1.26 -5.01 135.00 129.93 2klo s PRO 5 Ca 0.07 -0.10 -0.22 0.00 0.04 0.00 0.00 61.00 60.79 2klo s PRO 5 Cb 0.04 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.73 2klo s PRO 5 CO -0.09 -2.58 1.34 -1.12 0.04 0.00 0.00 177.00 174.60 2klo s SER 6 N -4.41 5.33 0.45 6.66 0.01 -1.26 -5.04 113.70 115.44 2klo s SER 6 Ca 0.69 2.73 0.03 0.00 1.31 0.00 0.00 55.95 60.72 2klo s SER 6 Cb -0.09 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.49 2klo s SER 6 CO 0.53 -1.53 0.07 0.00 0.41 0.00 0.00 173.24 172.73 2klo s ALA 7 N -1.32 3.40 0.29 1.44 0.00 -1.26 -5.18 121.76 119.13 2klo s ALA 7 Ca 0.71 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.77 2klo s ALA 7 Cb -0.40 0.45 -0.06 0.00 0.00 0.00 0.00 23.12 23.11 2klo s ALA 7 CO 0.47 -0.20 0.06 -0.48 0.00 0.00 0.00 175.76 175.60 2klo s LEU 8 N -3.72 2.02 -0.13 0.00 0.05 -1.26 -5.15 118.68 110.49 2klo s LEU 8 Ca 0.17 -1.36 0.00 0.00 0.05 0.00 0.00 54.13 52.99 2klo s LEU 8 Cb 0.02 -0.25 0.02 0.00 -2.05 0.00 0.00 46.19 43.94 2klo s LEU 8 CO 0.10 -0.63 -0.12 -0.75 -0.55 0.00 0.00 176.35 174.40 2klo s LYS 9 N -3.93 2.03 0.00 1.48 2.36 -1.26 -4.87 119.74 115.55 2klo s LYS 9 Ca 0.36 -0.46 0.00 0.00 -2.55 0.00 0.00 55.97 53.32 2klo s LYS 9 Cb 0.08 -1.90 0.00 0.00 -1.05 0.00 0.00 37.83 34.96 2klo s LYS 9 CO 0.14 -0.22 0.00 0.41 1.55 0.00 0.00 175.35 177.23 2klo n GLY 10 N 4.73 0.05 3.41 5.54 0.00 -1.26 -5.12 105.19 112.55 2klo n GLY 10 Ca -0.16 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.75 2.46 -0.84 1.61 0.11 -1.26 -5.08 120.40 116.66 2klo s VAL 11 Ca 0.00 -1.45 0.01 0.00 -2.93 0.00 0.00 61.98 57.61 2klo s VAL 11 Cb 0.00 -2.05 0.32 0.00 -1.53 0.00 0.00 36.38 33.12 2klo s VAL 11 CO 0.00 0.24 1.36 -1.20 -3.33 0.00 0.00 175.10 172.18 2klo n SER 12 N 1.33 5.87 0.00 3.54 7.64 -1.26 -4.85 113.62 125.89 2klo n SER 12 Ca -0.17 -3.63 0.00 0.00 1.01 0.00 0.00 58.87 56.09 2klo n SER 12 Cb 0.52 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 2klo n SER 12 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2klo n GLN 13 N 0.16 0.00 0.25 1.43 -0.06 -1.26 -3.39 117.38 114.51 2klo n GLN 13 Ca 0.37 0.43 0.14 0.00 -2.00 0.00 0.00 57.00 55.93 2klo n GLN 13 Cb 0.33 -1.11 0.52 0.00 -4.06 0.00 0.00 30.24 25.92 2klo n GLN 13 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2klo h ALA 14 N -2.00 1.00 -0.25 1.69 0.00 -2.03 -2.98 119.26 114.69 2klo h ALA 14 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2klo h ALA 14 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2klo h ALA 14 CO 0.00 0.11 0.10 -0.07 0.00 0.00 0.00 179.25 179.40 2klo h LEU 15 N 0.00 0.31 -1.52 0.00 -0.00 -1.90 -1.94 115.31 110.25 2klo h LEU 15 Ca -0.00 -0.02 -0.04 0.00 -0.00 0.00 0.00 57.88 57.82 2klo h LEU 15 Cb 0.68 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.25 2klo h LEU 15 CO 0.01 0.28 -0.13 -0.07 -0.00 0.00 0.00 178.44 178.53 2klo h LEU 16 N 0.35 0.14 -0.40 1.67 3.38 -1.53 -2.34 115.31 116.56 2klo h LEU 16 Ca 0.09 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 2klo h LEU 16 Cb 0.07 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2klo h LEU 16 CO -0.01 0.29 -0.39 -0.33 0.09 0.00 0.00 178.44 178.09 2klo h GLU 17 N 0.14 0.93 0.00 1.13 5.08 -1.52 -3.04 114.58 117.30 2klo h GLU 17 Ca 0.03 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2klo h GLU 17 Cb 0.33 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2klo h GLU 17 CO 0.02 1.14 0.00 0.54 -1.00 0.00 0.00 179.01 179.71 2klo n ARG 18 N -4.06 0.13 -0.23 2.33 1.74 -0.89 -2.45 116.66 113.23 2klo n ARG 18 Ca -0.02 0.50 -0.04 0.00 -0.77 0.00 0.00 57.85 57.52 2klo n ARG 18 Cb 0.55 -1.82 0.06 0.00 -1.02 0.00 0.00 32.46 30.23 2klo n ARG 18 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2klo h ILE 19 N 0.00 1.12 -0.42 0.55 1.08 -1.49 -1.73 117.51 116.61 2klo h ILE 19 Ca 0.00 -0.29 -0.03 0.00 -0.39 0.00 0.00 64.86 64.15 2klo h ILE 19 Cb 0.16 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 34.09 2klo h ILE 19 CO 0.00 0.15 0.13 0.08 -0.69 0.00 0.00 178.15 177.82 2klo h ARG 20 N 0.84 0.62 0.00 2.37 -0.00 -1.69 -1.73 114.38 114.79 2klo h ARG 20 Ca 0.26 -0.10 0.00 0.00 -0.00 0.00 0.00 59.98 60.14 2klo h ARG 20 Cb -0.03 -0.11 0.00 0.00 -0.00 0.00 0.00 29.97 29.84 2klo h ARG 20 CO -0.09 0.55 0.00 0.00 -0.00 0.00 0.00 179.97 180.43 2klo n ALA 21 N -2.47 1.96 -0.06 0.08 0.00 -0.69 -3.58 120.51 115.76 2klo n ALA 21 Ca 0.03 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.48 2klo n ALA 21 Cb 0.18 -1.32 0.48 0.00 0.00 0.00 0.00 19.45 18.79 2klo n ALA 21 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2klo h LYS 22 N 0.00 0.44 0.01 0.00 1.79 -0.90 -2.51 116.57 115.40 2klo h LYS 22 Ca 0.00 -0.03 -0.32 0.00 -2.18 0.00 0.00 60.65 58.12 2klo h LYS 22 Cb 0.27 -0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 30.76 2klo h LYS 22 CO 0.00 0.29 -1.94 0.39 -1.08 0.00 0.00 179.45 177.11 2klo n GLU 23 N -4.47 0.66 -0.24 3.15 -0.58 -1.23 -4.28 120.64 113.64 2klo n GLU 23 Ca 0.08 0.20 0.01 0.00 -0.42 0.00 0.00 57.16 57.03 2klo n GLU 23 Cb 0.28 -1.70 0.24 0.00 -0.57 0.00 0.00 31.44 29.68 2klo n GLU 23 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 2klo h VAL 24 N 0.00 1.18 0.00 2.62 3.04 -1.60 0.01 116.25 121.51 2klo h VAL 24 Ca -0.38 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 2klo h VAL 24 Cb 2.08 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 2klo h VAL 24 CO 0.06 0.19 0.00 0.06 -1.01 0.00 0.00 177.57 176.87 2klo h GLN 25 N 1.04 0.00 0.00 4.17 3.07 -1.69 0.33 115.11 122.03 2klo h GLN 25 Ca 0.30 0.00 -0.41 0.00 0.09 0.00 0.00 58.65 58.63 2klo h GLN 25 Cb -0.06 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 27.43 2klo h GLN 25 CO -0.07 0.00 -2.47 1.17 0.09 0.00 0.00 178.83 177.54 2klo n LYS 26 N -2.77 0.63 0.23 0.06 4.81 -0.18 -4.48 118.16 116.47 2klo n LYS 26 Ca -0.02 0.20 0.09 0.00 -0.87 0.00 0.00 58.31 57.71 2klo n LYS 26 Cb 0.07 -1.52 0.55 0.00 0.02 0.00 0.00 35.03 34.15 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 -0.35 0.00 0.00 1.64 1.08 -0.56 -2.54 115.11 114.39 2klo h GLN 27 Ca -0.62 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.58 2klo h GLN 27 Cb 1.80 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.23 2klo h GLN 27 CO -0.20 0.22 0.00 1.28 -0.95 0.00 0.00 178.83 179.18 2klo n LEU 28 N -3.67 0.67 -4.69 1.46 4.77 0.06 -4.77 117.00 110.84 2klo n LEU 28 Ca -0.01 0.66 -0.24 0.00 -0.03 0.00 0.00 56.01 56.38 2klo n LEU 28 Cb 0.34 -0.55 -0.08 0.00 -2.33 0.00 0.00 43.42 40.81 2klo n LEU 28 CO 0.33 -0.52 -0.23 0.00 -1.33 0.00 0.00 177.39 175.64 2klo s ALA 29 N -3.29 3.40 0.90 -1.18 0.00 -0.96 -5.12 121.76 115.52 2klo s ALA 29 Ca 0.05 -1.97 -0.13 0.00 0.00 0.00 0.00 51.96 49.91 2klo s ALA 29 Cb 0.10 -0.48 0.14 0.00 0.00 0.00 0.00 23.12 22.88 2klo s ALA 29 CO 0.41 -0.01 1.19 -0.98 0.00 0.00 0.00 175.76 176.37 2klo s ARG 30 N -3.81 1.19 0.31 0.00 3.03 -1.26 -4.96 118.95 113.45 2klo s ARG 30 Ca 0.37 0.04 -0.14 0.00 2.03 0.00 0.00 55.73 58.04 2klo s ARG 30 Cb 0.00 -1.87 0.02 0.00 -1.03 0.00 0.00 34.95 32.08 2klo s ARG 30 CO 0.21 -2.12 0.62 0.00 -1.13 0.00 0.00 175.30 172.89 2klo s MET 31 N -5.54 1.87 -0.48 3.89 0.23 -1.26 -5.02 119.30 113.00 2klo s MET 31 Ca 0.66 -1.34 0.07 0.00 -1.03 0.00 0.00 55.69 54.05 2klo s MET 31 Cb -0.11 0.54 0.38 0.00 -1.53 0.00 0.00 34.83 34.12 2klo s MET 31 CO 0.52 -0.83 0.98 -2.37 -2.03 0.00 0.00 175.02 171.29 2klo n THR 32 N -0.48 2.23 -1.54 3.16 5.66 -1.26 -5.07 114.28 116.98 2klo n THR 32 Ca -0.04 -4.97 -0.56 0.00 -3.05 0.00 0.00 64.05 55.43 2klo n THR 32 Cb 0.61 -1.01 -0.07 0.00 -1.55 0.00 0.00 70.33 68.30 2klo n THR 32 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 2klo n ARG 33 N -0.26 0.45 0.05 1.09 -4.01 -1.26 -4.67 116.66 108.05 2klo n ARG 33 Ca 0.31 0.16 0.00 0.00 -1.04 0.00 0.00 57.85 57.28 2klo n ARG 33 Cb 0.57 -1.72 0.00 0.00 -3.04 0.00 0.00 32.46 28.27 2klo n ARG 33 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2klo h PRO 35 N 0.00 0.00 0.00 0.00 0.13 -2.06 -1.93 132.00 128.13 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 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 176.92 2klo n GLU 36 N -2.34 0.17 0.27 0.86 0.28 -1.26 -2.83 120.64 115.80 2klo n GLU 36 Ca -0.01 0.16 0.10 0.00 -0.16 0.00 0.00 57.16 57.26 2klo n GLU 36 Cb 0.08 -1.50 0.72 0.00 1.43 0.00 0.00 31.44 32.17 2klo n GLU 36 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 2klo h GLN 37 N 0.00 0.00 -0.81 3.44 4.20 -1.77 -1.76 115.11 118.41 2klo h GLN 37 Ca 0.00 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.88 2klo h GLN 37 Cb 0.17 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.89 2klo h GLN 37 CO 0.00 0.01 0.54 1.05 -0.67 0.00 0.00 178.83 179.76 2klo h GLU 38 N 0.00 0.41 -0.21 1.46 4.11 -1.79 -1.05 114.58 117.51 2klo h GLU 38 Ca -0.00 -0.02 -0.08 0.00 0.07 0.00 0.00 59.36 59.32 2klo h GLU 38 Cb 0.01 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2klo h GLU 38 CO 0.00 0.27 -0.19 1.25 0.07 0.00 0.00 179.01 180.41 2klo h LEU 39 N 0.42 0.52 -0.71 3.06 5.85 -1.57 0.93 115.31 123.80 2klo h LEU 39 Ca 0.41 -0.47 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 2klo h LEU 39 Cb 0.96 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 2klo h LEU 39 CO -0.14 0.88 0.36 0.03 -0.34 0.00 0.00 178.44 179.23 2klo h ARG 40 N 0.17 1.01 0.11 1.25 -0.00 -1.30 0.03 114.38 115.64 2klo h ARG 40 Ca 0.03 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.98 59.38 2klo h ARG 40 Cb 0.73 -0.19 0.00 0.00 0.00 0.00 0.00 29.97 30.51 2klo h ARG 40 CO 0.05 0.77 -0.05 -0.07 0.00 0.00 0.00 179.97 180.67 2klo h LEU 41 N 0.98 -0.12 -2.60 3.04 3.38 -1.35 -1.00 115.31 117.65 2klo h LEU 41 Ca 0.25 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2klo h LEU 41 Cb 0.08 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2klo h LEU 41 CO -0.04 0.09 0.01 1.56 0.09 0.00 0.00 178.44 180.15 2klo h GLN 42 N -0.33 0.00 0.17 1.13 1.08 -0.49 -2.21 115.11 114.46 2klo h GLN 42 Ca -0.01 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.87 2klo h GLN 42 Cb 0.27 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.71 2klo h GLN 42 CO 0.02 0.00 -1.57 0.00 -0.95 0.00 0.00 178.83 176.34 2klo h ARG 43 N 0.00 0.35 -0.52 1.46 2.47 -0.56 -3.35 114.38 114.23 2klo h ARG 43 Ca 0.00 -0.60 -0.04 0.00 -1.26 0.00 0.00 59.98 58.08 2klo h ARG 43 Cb 0.02 0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.54 2klo h ARG 43 CO -0.00 1.29 0.17 1.37 0.56 0.00 0.00 179.97 183.36 2klo h LEU 44 N -0.06 0.71 0.00 3.04 8.10 -0.60 -2.18 115.31 124.33 2klo h LEU 44 Ca -0.31 -0.10 0.00 0.00 0.11 0.00 0.00 57.88 57.57 2klo h LEU 44 Cb 1.96 -0.18 0.00 0.00 -0.44 0.00 0.00 40.66 42.00 2klo h LEU 44 CO 0.14 0.67 0.00 -1.84 -4.11 0.00 0.00 178.44 173.31 2klo n GLU 45 N -4.31 0.69 0.00 0.17 0.28 -0.97 -3.39 120.64 113.10 2klo n GLU 45 Ca 0.04 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.15 2klo n GLU 45 Cb 0.19 -1.48 0.63 0.00 1.43 0.00 0.00 31.44 32.21 2klo n GLU 45 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2klo n ARG 46 N -0.98 0.55 -0.22 3.44 1.74 -0.82 -4.10 116.66 116.27 2klo n ARG 46 Ca 0.16 0.03 -0.11 0.00 -0.77 0.00 0.00 57.85 57.16 2klo n ARG 46 Cb 0.07 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.94 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 -1.78 -0.67 0.55 3.38 -1.80 0.10 115.31 115.10 2klo h LEU 47 Ca 0.00 0.26 -0.09 0.00 0.09 0.00 0.00 57.88 58.14 2klo h LEU 47 Cb 0.09 0.77 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2klo h LEU 47 CO 0.00 -0.35 0.00 1.55 0.09 0.00 0.00 178.44 179.73 2klo h PRO 48 N -0.26 1.03 -1.00 1.13 0.13 -1.92 -2.47 132.00 128.64 2klo h PRO 48 Ca 0.13 -0.32 0.11 0.00 -0.87 0.00 0.00 66.00 65.05 2klo h PRO 48 Cb 0.55 -0.10 -0.08 0.00 0.13 0.00 0.00 31.00 31.50 2klo h PRO 48 CO -0.70 1.01 0.63 1.49 -0.23 0.00 0.00 178.00 180.21 2klo h GLU 49 N 0.95 0.99 0.06 0.86 4.81 -1.44 -1.86 114.58 118.94 2klo h GLU 49 Ca 0.17 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 2klo h GLU 49 Cb 0.54 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 29.71 2klo h GLU 49 CO 0.03 0.66 -0.38 -0.07 -0.73 0.00 0.00 179.01 178.51 2klo h LEU 50 N 1.02 0.21 -0.44 1.64 -0.00 -0.76 -3.25 115.31 113.74 2klo h LEU 50 Ca 0.49 -0.98 0.09 0.00 -0.00 0.00 0.00 57.88 57.48 2klo h LEU 50 Cb 0.44 -0.07 -0.09 0.00 -0.00 0.00 0.00 40.66 40.95 2klo h LEU 50 CO -0.25 1.18 -0.15 0.00 -0.00 0.00 0.00 178.44 179.23 2klo h ALA 51 N 0.03 0.22 0.09 1.53 0.00 -1.18 0.11 119.26 120.06 2klo h ALA 51 Ca -0.07 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2klo h ALA 51 Cb 1.29 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 2klo h ALA 51 CO 0.07 -0.49 -0.05 0.07 0.00 0.00 0.00 179.25 178.84 2klo h ARG 52 N -0.05 -0.13 0.05 0.00 0.11 -1.50 -2.67 114.38 110.18 2klo h ARG 52 Ca 0.21 0.01 0.03 0.00 0.10 0.00 0.00 59.98 60.33 2klo h ARG 52 Cb 0.38 0.03 -0.04 0.00 1.11 0.00 0.00 29.97 31.44 2klo h ARG 52 CO -0.48 -0.09 -0.26 0.28 0.10 0.00 0.00 179.97 179.52 2klo h VAL 53 N -0.13 0.41 -0.32 0.08 2.07 -1.45 -0.24 116.25 116.66 2klo h VAL 53 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2klo h VAL 53 Cb 0.11 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 30.22 2klo h VAL 53 CO 0.01 0.00 -0.52 0.25 0.02 0.00 0.00 177.57 177.33 2klo h LEU 54 N -0.43 -1.70 -0.84 2.57 6.46 -0.69 0.11 115.31 120.79 2klo h LEU 54 Ca 0.05 0.22 0.11 0.00 -0.12 0.00 0.00 57.88 58.15 2klo h LEU 54 Cb 0.49 0.70 -0.08 0.00 -0.73 0.00 0.00 40.66 41.04 2klo h LEU 54 CO -0.20 -0.42 0.47 -0.09 -0.62 0.00 0.00 178.44 177.58 2klo h ARG 55 N -0.44 0.72 0.31 1.25 1.12 -1.31 -0.34 114.38 115.69 2klo h ARG 55 Ca 0.08 -0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 58.89 2klo h ARG 55 Cb 0.62 -0.16 -0.00 0.00 -0.01 0.00 0.00 29.97 30.41 2klo h ARG 55 CO -0.54 0.48 -0.18 -0.91 -3.11 0.00 0.00 179.97 175.71 2klo h ASN 56 N 0.75 -0.45 -0.59 -3.80 2.35 0.98 -1.01 115.58 113.81 2klo h ASN 56 Ca 0.42 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 56.24 2klo h ASN 56 Cb 0.46 0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.92 2klo h ASN 56 CO -0.28 -0.30 0.34 0.58 -1.65 0.00 0.00 177.43 176.12 2klo h VAL 57 N -0.47 1.03 -0.58 2.81 2.07 -0.26 -0.53 116.25 120.32 2klo h VAL 57 Ca -0.03 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.29 2klo h VAL 57 Cb 0.38 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2klo h VAL 57 CO 0.04 0.12 0.35 -0.26 0.02 0.00 0.00 177.57 177.83 2klo h PHE 58 N 0.67 0.65 -0.58 1.57 -1.00 -0.84 0.19 116.94 117.59 2klo h PHE 58 Ca 0.25 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 61.03 2klo h PHE 58 Cb 0.08 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.40 2klo h PHE 58 CO -0.07 0.36 0.30 0.28 -1.61 0.00 0.00 178.31 177.58 2klo h VAL 59 N 0.68 1.20 0.00 -0.55 2.07 -0.55 -2.67 116.25 116.43 2klo h VAL 59 Ca 0.24 -0.52 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 2klo h VAL 59 Cb 0.04 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2klo h VAL 59 CO -0.11 0.22 -0.38 -1.28 0.02 0.00 0.00 177.57 176.04 2klo h SER 60 N 0.79 0.00 0.65 0.57 0.87 -0.28 -3.23 113.55 112.92 2klo h SER 60 Ca 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2klo h SER 60 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2klo h SER 60 CO -0.03 0.38 0.00 -0.08 -0.53 0.00 0.00 176.83 176.57 2klo h GLU 61 N 0.00 0.00 -0.22 2.24 4.57 -0.28 -3.46 114.58 117.42 2klo h GLU 61 Ca -0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 2klo h GLU 61 Cb 0.76 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.31 2klo h GLU 61 CO 0.05 0.00 -0.09 -2.13 -1.18 0.00 0.00 179.01 175.66 2klo n ARG 62 N -2.59 -1.57 -3.58 1.92 0.63 -1.22 -4.95 116.66 105.30 2klo n ARG 62 Ca 0.01 0.61 -0.21 0.00 -0.92 0.00 0.00 57.85 57.34 2klo n ARG 62 Cb 0.21 -4.87 -0.15 0.00 0.45 0.00 0.00 32.46 28.10 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 -2.17 0.10 0.00 -0.14 -2.85 -1.26 -5.04 119.74 108.38 2klo s LYS 63 Ca 0.00 0.17 0.18 0.00 -1.00 0.00 0.00 55.97 55.31 2klo s LYS 63 Cb 0.00 -1.25 0.88 0.00 -2.06 0.00 0.00 37.83 35.40 2klo s LYS 63 CO 0.00 -0.58 1.53 -0.35 0.10 0.00 0.00 175.35 176.05 2klo n PRO 64 N 5.30 0.23 -4.46 1.78 -0.04 -1.26 -4.65 135.00 131.90 2klo n PRO 64 Ca -0.06 0.13 -0.22 0.00 -0.04 0.00 0.00 63.50 63.31 2klo n PRO 64 Cb 0.49 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.29 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 -2.61 1.03 0.16 0.55 0.00 -1.26 -2.70 121.76 116.93 2klo s ALA 65 Ca 0.16 -0.33 0.05 0.00 0.00 0.00 0.00 51.96 51.84 2klo s ALA 65 Cb 0.12 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2klo s ALA 65 CO 0.27 0.11 -0.11 -0.51 0.00 0.00 0.00 175.76 175.52 2klo s LEU 66 N 0.50 2.53 0.55 0.00 1.43 -0.85 -4.96 118.68 117.89 2klo s LEU 66 Ca -0.09 -0.99 -0.16 0.00 -1.03 0.00 0.00 54.13 51.85 2klo s LEU 66 Cb -0.13 -0.44 -0.06 0.00 0.03 0.00 0.00 46.19 45.59 2klo s LEU 66 CO 0.02 -0.28 1.01 -0.89 0.23 0.00 0.00 176.35 176.45 2klo s THR 67 N -3.13 4.27 0.19 5.49 2.01 -1.26 -0.69 115.64 122.51 2klo s THR 67 Ca 0.17 1.07 -0.12 0.00 0.31 0.00 0.00 61.69 63.12 2klo s THR 67 Cb 0.01 -3.60 0.11 0.00 0.01 0.00 0.00 72.50 69.03 2klo s THR 67 CO 0.02 -0.64 1.85 -0.03 -0.69 0.00 0.00 174.62 175.14 2klo h MET 68 N 0.69 0.80 -0.41 4.92 4.05 -1.38 -1.27 114.93 122.33 2klo h MET 68 Ca -0.47 -0.05 0.05 0.00 -0.28 0.00 0.00 59.70 58.96 2klo h MET 68 Cb 1.20 -0.18 -0.05 0.00 -0.80 0.00 0.00 31.60 31.77 2klo h MET 68 CO 0.60 0.53 0.13 1.49 0.23 0.00 0.00 176.91 179.89 2klo h GLU 69 N 0.82 0.28 0.75 0.39 4.81 -1.93 -0.61 114.58 119.09 2klo h GLU 69 Ca 0.24 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 2klo h GLU 69 Cb -0.06 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.26 2klo h GLU 69 CO -0.07 0.18 -0.36 0.28 -0.73 0.00 0.00 179.01 178.32 2klo h VAL 70 N 0.28 0.20 0.00 0.32 2.07 -1.82 -2.66 116.25 114.65 2klo h VAL 70 Ca 0.19 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 2klo h VAL 70 Cb 0.20 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2klo h VAL 70 CO -0.21 0.01 -0.00 1.62 0.02 0.00 0.00 177.57 179.01 2klo h VAL 71 N -1.11 0.95 0.71 2.57 3.04 -1.09 -1.43 116.25 119.90 2klo h VAL 71 Ca -0.10 -0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.55 2klo h VAL 71 Cb 0.79 1.00 0.01 0.00 -2.01 0.00 0.00 31.29 31.08 2klo h VAL 71 CO 0.17 0.00 -0.34 0.00 -1.01 0.00 0.00 177.57 176.39 2klo h ALA 73 N -0.72 1.30 -0.32 0.00 0.00 -1.25 -2.74 119.26 115.53 2klo h ALA 73 Ca -0.10 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 2klo h ALA 73 Cb 0.74 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2klo h ALA 73 CO 0.16 0.49 -0.33 0.00 0.00 0.00 0.00 179.25 179.56 2klo h ARG 74 N 0.64 0.79 -0.39 0.00 2.47 -1.00 -1.18 114.38 115.71 2klo h ARG 74 Ca 0.14 -0.42 -0.08 0.00 -1.26 0.00 0.00 59.98 58.36 2klo h ARG 74 Cb 0.31 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 2klo h ARG 74 CO 0.00 1.05 -0.06 0.52 0.56 0.00 0.00 179.97 182.05 2klo h MET 75 N 0.56 0.73 -0.26 0.04 2.86 -0.42 0.13 114.93 118.57 2klo h MET 75 Ca 0.05 -0.26 -0.14 0.00 -2.06 0.00 0.00 59.70 57.29 2klo h MET 75 Cb 0.91 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 2klo h MET 75 CO 0.08 0.85 -0.40 -0.24 1.06 0.00 0.00 176.91 178.26 2klo h VAL 76 N 0.54 1.30 0.00 -2.22 3.04 -1.50 -2.88 116.25 114.53 2klo h VAL 76 Ca 0.10 -1.57 -0.03 0.00 -1.01 0.00 0.00 66.70 64.19 2klo h VAL 76 Cb 0.56 1.53 -0.00 0.00 -2.01 0.00 0.00 31.29 31.37 2klo h VAL 76 CO 0.03 0.50 -0.16 0.44 -1.01 0.00 0.00 177.57 177.37 2klo h ASP 77 N 0.51 0.00 0.54 3.17 3.32 -0.94 -2.31 116.42 120.71 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 0.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.47 2klo h ASP 77 CO 0.08 0.16 0.00 0.28 -1.72 0.00 0.00 179.24 178.04 2klo h SER 78 N 0.00 0.00 -2.06 6.45 0.02 -0.74 -3.25 113.55 113.96 2klo h SER 78 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 2klo h SER 78 Cb 0.49 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.63 2klo h SER 78 CO 0.02 0.00 -1.04 0.00 -1.14 0.00 0.00 176.83 174.67 2klo n GLN 80 N 0.50 2.46 0.00 0.00 10.64 -1.23 -4.46 117.38 125.29 2klo n GLN 80 Ca 0.25 -1.45 0.00 0.00 -1.83 0.00 0.00 57.00 53.97 2klo n GLN 80 Cb 0.57 -2.19 0.00 0.00 -0.86 0.00 0.00 30.24 27.75 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 2.53 0.00 -3.00 -0.39 5.66 -1.26 -5.08 114.28 112.74 2klo n THR 81 Ca 0.51 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 61.36 2klo n THR 81 Cb 0.72 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.48 2klo n THR 81 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2klo n ALA 82 N -3.00 0.32 -2.17 1.79 0.00 -1.26 -5.11 120.51 111.09 2klo n ALA 82 Ca 0.00 -2.16 -0.10 0.00 0.00 0.00 0.00 53.44 51.18 2klo n ALA 82 Cb 0.00 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.23 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 -0.24 1.59 0.23 0.00 0.05 -1.26 -5.18 118.68 113.86 2klo s LEU 83 Ca 0.32 -1.26 0.06 0.00 0.05 0.00 0.00 54.13 53.30 2klo s LEU 83 Cb 0.11 0.32 -0.03 0.00 -2.05 0.00 0.00 46.19 44.54 2klo s LEU 83 CO -0.15 -0.76 0.26 -0.44 -0.55 0.00 0.00 176.35 174.70 2klo s SER 84 N -3.08 5.89 0.38 1.48 0.01 -1.26 -5.03 113.70 112.09 2klo s SER 84 Ca 0.28 -0.08 0.14 0.00 1.31 0.00 0.00 55.95 57.60 2klo s SER 84 Cb 0.07 -1.62 0.77 0.00 0.21 0.00 0.00 66.02 65.45 2klo s SER 84 CO 0.05 -0.03 1.84 1.55 0.41 0.00 0.00 173.24 177.06 2klo h PRO 85 N 1.55 0.00 -0.65 12.44 0.13 -2.00 -3.05 132.00 140.43 2klo h PRO 85 Ca -0.50 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.71 2klo h PRO 85 Cb 1.23 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 2klo h PRO 85 CO 0.62 0.35 0.31 0.78 -0.23 0.00 0.00 178.00 179.84 2klo h GLY 86 N 1.13 0.94 1.37 1.56 0.00 -1.98 -0.30 103.07 105.79 2klo h GLY 86 Ca -0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 2klo h GLY 86 CO 0.05 0.07 0.05 0.83 0.00 0.00 0.00 176.54 177.53 2klo h GLU 87 N 0.56 0.78 -0.03 4.80 4.39 -1.96 0.88 114.58 124.01 2klo h GLU 87 Ca 0.31 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 2klo h GLU 87 Cb 0.30 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2klo h GLU 87 CO -0.24 0.76 0.01 1.98 -1.16 0.00 0.00 179.01 180.36 2klo h MET 88 N 0.74 0.04 -0.40 2.33 4.05 -1.25 -2.36 114.93 118.08 2klo h MET 88 Ca 0.15 -0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.51 2klo h MET 88 Cb 0.38 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.16 2klo h MET 88 CO 0.01 0.14 -0.01 0.93 0.23 0.00 0.00 176.91 178.21 2klo h GLU 89 N -0.08 0.64 -0.74 0.39 5.08 -0.77 -2.10 114.58 117.00 2klo h GLU 89 Ca 0.01 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 2klo h GLU 89 Cb 0.12 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 2klo h GLU 89 CO -0.00 0.67 0.39 0.87 -1.00 0.00 0.00 179.01 179.94 2klo h LYS 90 N 0.61 1.04 -0.36 2.33 1.79 -0.61 -1.71 116.57 119.66 2klo h LYS 90 Ca 0.12 -0.13 -0.15 0.00 -2.18 0.00 0.00 60.65 58.32 2klo h LYS 90 Cb 0.40 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 2klo h LYS 90 CO 0.02 0.78 -0.37 1.25 -1.08 0.00 0.00 179.45 180.04 2klo h HIS 91 N 1.04 1.00 -0.33 -1.35 2.76 -0.86 -1.32 115.15 116.09 2klo h HIS 91 Ca 0.26 -0.29 -0.04 0.00 -2.20 0.00 0.00 60.37 58.10 2klo h HIS 91 Cb 0.06 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 2klo h HIS 91 CO 0.01 1.08 0.02 -0.07 -1.30 0.00 0.00 177.93 177.67 2klo h LEU 92 N 0.69 0.45 0.03 0.26 3.38 -0.97 -1.60 115.31 117.57 2klo h LEU 92 Ca 0.06 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2klo h LEU 92 Cb 0.94 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.58 2klo h LEU 92 CO 0.09 0.51 -0.25 1.62 0.09 0.00 0.00 178.44 180.50 2klo h VAL 93 N 0.48 1.66 -0.93 1.22 3.04 -1.16 -2.59 116.25 117.97 2klo h VAL 93 Ca 0.11 -2.26 0.12 0.00 -1.01 0.00 0.00 66.70 63.66 2klo h VAL 93 Cb 0.27 3.16 -0.08 0.00 -2.01 0.00 0.00 31.29 32.63 2klo h VAL 93 CO 0.01 0.61 0.56 0.17 -1.01 0.00 0.00 177.57 177.90 2klo h LEU 94 N -0.72 0.81 0.01 3.16 8.10 -1.10 0.22 115.31 125.79 2klo h LEU 94 Ca -0.04 0.05 -0.06 0.00 0.11 0.00 0.00 57.88 57.94 2klo h LEU 94 Cb 1.13 -0.10 0.01 0.00 -0.44 0.00 0.00 40.66 41.25 2klo h LEU 94 CO 0.05 0.43 -0.25 -0.07 -4.11 0.00 0.00 178.44 174.49 2klo h LEU 95 N 0.89 0.21 -2.03 0.17 4.07 -1.42 -3.23 115.31 113.98 2klo h LEU 95 Ca 0.46 -0.80 0.00 0.00 0.08 0.00 0.00 57.88 57.63 2klo h LEU 95 Cb 0.47 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.15 2klo h LEU 95 CO -0.27 0.98 0.00 0.00 -1.08 0.00 0.00 178.44 178.07 2klo h ALA 96 N 0.23 1.97 0.00 1.53 0.00 -1.01 0.25 119.26 122.24 2klo h ALA 96 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2klo h ALA 96 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2klo h ALA 96 CO 0.05 -0.00 0.00 1.49 0.00 0.00 0.00 179.25 180.79 2klo h GLU 97 N 0.00 0.00 -0.01 0.00 4.57 -0.64 -3.22 114.58 115.29 2klo h GLU 97 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2klo h GLU 97 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2klo h GLU 97 CO -0.00 0.00 -0.07 1.28 -1.18 0.00 0.00 179.01 179.04 2klo n LEU 98 N -2.82 1.19 -3.21 1.64 4.32 -0.83 -4.80 117.00 112.49 2klo n LEU 98 Ca 0.03 -0.86 -0.25 0.00 -0.02 0.00 0.00 56.01 54.91 2klo n LEU 98 Cb 0.42 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.16 2klo n LEU 98 CO 0.30 0.25 -0.07 0.18 -1.22 0.00 0.00 177.39 176.83 2klo n LEU 99 N -0.04 2.41 0.23 2.23 4.77 0.02 -4.88 117.00 121.73 2klo n LEU 99 Ca 0.03 -5.21 0.08 0.00 -0.03 0.00 0.00 56.01 50.88 2klo n LEU 99 Cb 0.14 -0.04 0.57 0.00 -2.33 0.00 0.00 43.42 41.77 2klo n LEU 99 CO 0.06 2.17 0.90 1.55 -1.33 0.00 0.00 177.39 180.74 2klo h PRO 100 N 3.66 0.00 -0.01 3.23 0.13 -1.79 -1.66 132.00 135.56 2klo h PRO 100 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2klo h PRO 100 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2klo h PRO 100 CO 0.67 0.19 0.00 -0.25 -0.23 0.00 0.00 178.00 178.38 2klo n ASP 101 N -3.97 0.27 0.05 1.44 8.00 -1.26 -4.30 116.55 116.78 2klo n ASP 101 Ca -0.02 -1.21 0.00 0.00 0.71 0.00 0.00 54.79 54.27 2klo n ASP 101 Cb 0.28 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 2klo n ASP 101 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 2klo n TRP 102 N -0.74 -0.09 -4.01 1.24 -0.00 -0.69 -4.91 117.44 108.25 2klo n TRP 102 Ca 0.20 0.02 -0.36 0.00 -0.00 0.00 0.00 57.50 57.36 2klo n TRP 102 Cb 0.14 0.02 -0.07 0.00 -0.00 0.00 0.00 31.31 31.40 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 -6.99 4.17 0.03 5.87 1.43 -0.85 -2.77 118.68 119.57 2klo s LEU 103 Ca 0.00 0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.49 2klo s LEU 103 Cb 0.00 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 2klo s LEU 103 CO 0.00 0.40 -0.05 -0.44 0.23 0.00 0.00 176.35 176.48 2klo s SER 104 N -0.96 0.57 -0.08 2.29 0.01 -0.59 -4.52 113.70 110.42 2klo s SER 104 Ca 0.14 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2klo s SER 104 Cb -0.12 0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.13 2klo s SER 104 CO 0.03 -0.19 -0.07 -0.76 0.41 0.00 0.00 173.24 172.67 2klo s LEU 105 N -1.26 3.14 -0.27 2.44 1.43 -1.26 -1.03 118.68 121.87 2klo s LEU 105 Ca -0.10 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 52.94 2klo s LEU 105 Cb -0.08 -1.69 0.13 0.00 0.03 0.00 0.00 46.19 44.58 2klo s LEU 105 CO -0.00 0.32 0.32 -1.38 0.23 0.00 0.00 176.35 175.84 2klo s HIS 106 N -0.57 -0.59 0.35 0.29 -3.43 -0.51 -4.98 115.29 105.85 2klo s HIS 106 Ca 0.09 0.10 -0.26 0.00 -0.80 0.00 0.00 55.06 54.18 2klo s HIS 106 Cb -0.12 -0.33 -0.09 0.00 -1.43 0.00 0.00 32.58 30.61 2klo s HIS 106 CO 0.02 -0.87 1.03 0.50 -2.00 0.00 0.00 174.74 173.42 2klo s ARG 107 N 2.41 4.38 0.22 -0.38 3.52 -1.26 -2.09 118.95 125.76 2klo s ARG 107 Ca 0.10 1.54 0.11 0.00 -0.13 0.00 0.00 55.73 57.35 2klo s ARG 107 Cb -0.14 -2.77 -0.05 0.00 -1.56 0.00 0.00 34.95 30.44 2klo s ARG 107 CO -0.28 0.05 -0.20 0.42 -0.81 0.00 0.00 175.30 174.48 2klo s ILE 108 N -1.52 2.53 0.35 4.11 -1.09 0.69 -4.93 121.20 121.35 2klo s ILE 108 Ca 0.53 -2.11 0.13 0.00 -2.23 0.00 0.00 60.65 56.97 2klo s ILE 108 Cb -0.24 -2.26 0.34 0.00 -1.58 0.00 0.00 42.46 38.72 2klo s ILE 108 CO 0.30 -0.22 1.75 0.08 -1.23 0.00 0.00 174.94 175.62 2klo h ARG 109 N 2.81 0.51 -0.08 2.79 0.11 -2.03 -0.10 114.38 118.39 2klo h ARG 109 Ca -0.44 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 59.59 2klo h ARG 109 Cb 1.23 -0.11 -0.00 0.00 1.11 0.00 0.00 29.97 32.19 2klo h ARG 109 CO 0.53 0.33 -0.01 1.15 0.10 0.00 0.00 179.97 182.08 2klo h THR 110 N 0.52 1.27 0.00 0.08 2.02 -2.02 -3.49 112.91 111.29 2klo h THR 110 Ca 0.62 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2klo h THR 110 Cb 1.31 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 2klo h THR 110 CO -0.39 0.24 0.00 -0.67 0.37 0.00 0.00 175.52 175.07 2klo n ASP 111 N -4.82 0.00 -4.74 4.18 2.03 -0.05 -5.15 116.55 108.00 2klo n ASP 111 Ca -0.07 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.84 2klo n ASP 111 Cb 0.21 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.56 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 -2.24 4.50 0.17 5.18 2.01 -1.26 -0.22 115.64 123.78 2klo s THR 112 Ca 0.00 1.97 0.02 0.00 0.31 0.00 0.00 61.69 64.00 2klo s THR 112 Cb 0.00 -4.28 -0.05 0.00 0.01 0.00 0.00 72.50 68.19 2klo s THR 112 CO 0.00 0.35 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.96 2klo s TYR 113 N -0.18 1.25 0.17 4.92 1.51 -0.89 -0.95 117.35 123.19 2klo s TYR 113 Ca 0.44 -0.96 0.08 0.00 -1.01 0.00 0.00 57.07 55.62 2klo s TYR 113 Cb -0.23 -0.71 -0.04 0.00 -0.11 0.00 0.00 41.96 40.87 2klo s TYR 113 CO 0.29 -0.14 -0.17 0.08 -1.11 0.00 0.00 175.55 174.49 2klo s VAL 114 N -3.57 1.78 -0.00 0.71 1.01 0.13 -1.42 120.40 119.03 2klo s VAL 114 Ca 0.23 -1.95 0.07 0.00 0.00 0.00 0.00 61.98 60.33 2klo s VAL 114 Cb 0.05 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 2klo s VAL 114 CO 0.04 -0.36 -0.21 -0.54 0.00 0.00 0.00 175.10 174.02 2klo s LYS 115 N -2.91 1.66 0.15 2.72 -0.14 -0.19 -2.00 119.74 119.02 2klo s LYS 115 Ca 0.16 -0.81 0.01 0.00 -1.36 0.00 0.00 55.97 53.98 2klo s LYS 115 Cb -0.05 -1.65 -0.04 0.00 -1.68 0.00 0.00 37.83 34.41 2klo s LYS 115 CO 0.06 0.45 0.00 -1.17 -0.76 0.00 0.00 175.35 173.93 2klo s LEU 116 N -0.65 2.12 -0.43 3.17 1.98 -1.10 -1.55 118.68 122.22 2klo s LEU 116 Ca 0.08 -1.15 0.04 0.00 -2.89 0.00 0.00 54.13 50.21 2klo s LEU 116 Cb -0.08 0.03 0.11 0.00 0.66 0.00 0.00 46.19 46.92 2klo s LEU 116 CO -0.00 -0.59 0.15 -1.81 -1.89 0.00 0.00 176.35 172.21 2klo s ASP 117 N -3.11 4.55 0.19 3.68 1.11 -1.11 -4.91 116.67 117.07 2klo s ASP 117 Ca 0.21 -2.58 0.23 0.00 0.18 0.00 0.00 52.55 50.59 2klo s ASP 117 Cb 0.06 -1.64 0.91 0.00 1.07 0.00 0.00 42.92 43.32 2klo s ASP 117 CO 0.01 -0.31 1.70 0.29 1.18 0.00 0.00 175.17 178.05 2klo n LYS 118 N 3.69 0.17 0.00 8.23 5.02 -1.26 -3.45 118.16 130.55 2klo n LYS 118 Ca 0.04 0.32 0.15 0.00 -2.02 0.00 0.00 58.31 56.80 2klo n LYS 118 Cb 0.37 -1.78 0.72 0.00 -0.02 0.00 0.00 35.03 34.32 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 -1.72 2.44 -1.44 7.82 0.00 -1.26 -4.91 120.51 121.45 2klo n ALA 119 Ca 0.03 -0.13 -0.31 0.00 0.00 0.00 0.00 53.44 53.03 2klo n ALA 119 Cb 0.27 -1.48 0.07 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.69 3.70 -0.76 0.00 0.11 -1.22 -4.96 120.40 114.57 2klo s VAL 120 Ca 0.24 0.57 -0.27 0.00 -2.93 0.00 0.00 61.98 59.59 2klo s VAL 120 Cb 0.20 -3.18 0.03 0.00 -1.53 0.00 0.00 36.38 31.90 2klo s VAL 120 CO 0.48 -0.71 1.28 -0.62 -3.33 0.00 0.00 175.10 172.21 2klo s ASP 121 N -3.55 6.18 0.60 3.54 2.15 -1.26 -4.87 116.67 119.46 2klo s ASP 121 Ca 0.60 -0.52 0.33 0.00 0.43 0.00 0.00 52.55 53.39 2klo s ASP 121 Cb -0.16 -2.56 1.92 0.00 -0.30 0.00 0.00 42.92 41.82 2klo s ASP 121 CO 0.54 -1.81 2.26 0.25 -0.17 0.00 0.00 175.17 176.24 2klo h LEU 122 N 12.99 0.00 -0.43 -1.34 7.12 -1.94 -2.03 115.31 129.67 2klo h LEU 122 Ca -0.25 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.71 2klo h LEU 122 Cb 1.05 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.16 2klo h LEU 122 CO 1.29 0.02 0.07 0.00 -0.13 0.00 0.00 178.44 179.68 2klo h ALA 123 N 1.98 0.58 -0.02 1.25 0.00 -1.99 0.19 119.26 121.25 2klo h ALA 123 Ca -0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 2klo h ALA 123 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2klo h ALA 123 CO 0.00 0.30 -0.45 0.78 0.00 0.00 0.00 179.25 179.88 2klo h GLY 124 N 0.58 0.05 0.38 0.00 0.00 -1.79 -1.05 103.07 101.24 2klo h GLY 124 Ca 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 2klo h GLY 124 CO 0.01 0.04 -0.04 1.41 0.00 0.00 0.00 176.54 177.96 2klo h LEU 125 N 0.04 -0.10 -1.48 3.11 3.38 -1.21 -2.09 115.31 116.96 2klo h LEU 125 Ca -0.00 -0.48 0.13 0.00 0.09 0.00 0.00 57.88 57.62 2klo h LEU 125 Cb 0.81 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 2klo h LEU 125 CO 0.06 0.48 0.51 0.74 0.09 0.00 0.00 178.44 180.32 2klo h THR 126 N -0.73 0.84 0.40 0.22 2.02 -0.52 -0.41 112.91 114.73 2klo h THR 126 Ca -0.01 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 2klo h THR 126 Cb 0.57 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2klo h THR 126 CO 0.02 0.10 -0.19 0.00 0.37 0.00 0.00 175.52 175.81 2klo h ALA 127 N 1.63 -0.89 -0.54 6.16 0.00 -1.10 -0.90 119.26 123.62 2klo h ALA 127 Ca 0.38 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.26 2klo h ALA 127 Cb 0.72 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2klo h ALA 127 CO -0.14 -0.85 0.37 0.07 0.00 0.00 0.00 179.25 178.69 2klo h ARG 128 N -0.67 0.35 0.30 0.00 -0.00 -1.09 0.18 114.38 113.44 2klo h ARG 128 Ca -0.06 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.98 59.89 2klo h ARG 128 Cb 0.41 -0.08 0.00 0.00 -0.00 0.00 0.00 29.97 30.31 2klo h ARG 128 CO 0.09 0.23 -0.14 -0.07 -0.00 0.00 0.00 179.97 180.08 2klo h LEU 129 N 0.36 -0.34 -1.21 0.08 3.38 -1.07 -2.60 115.31 113.90 2klo h LEU 129 Ca 0.25 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2klo h LEU 129 Cb 0.51 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2klo h LEU 129 CO -0.06 -0.05 0.37 0.00 0.09 0.00 0.00 178.44 178.79 2klo h ALA 130 N -0.03 1.40 0.00 1.53 0.00 -0.39 -1.37 119.26 120.40 2klo h ALA 130 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2klo h ALA 130 Cb 0.46 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2klo h ALA 130 CO 0.07 0.50 0.00 0.72 0.00 0.00 0.00 179.25 180.54 2klo n HIS 131 N -4.38 0.54 -2.62 0.00 8.25 -0.02 -4.90 115.22 112.08 2klo n HIS 131 Ca 0.06 0.20 -0.14 0.00 -0.26 0.00 0.00 57.72 57.58 2klo n HIS 131 Cb 0.09 -0.82 -0.00 0.00 1.12 0.00 0.00 29.99 30.38 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 -1.98 -1.52 -0.15 4.41 -0.00 -0.52 -4.86 115.22 110.61 2klo n HIS 132 Ca 0.03 0.10 -0.04 0.00 -0.00 0.00 0.00 57.72 57.81 2klo n HIS 132 Cb 0.25 -2.77 0.02 0.00 -0.00 0.00 0.00 29.99 27.49 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 -0.21 0.40 -0.04 1.59 2.07 -1.83 -2.72 116.25 115.52 2klo h VAL 133 Ca -0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2klo h VAL 133 Cb 1.22 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2klo h VAL 133 CO 0.37 0.00 0.00 1.57 0.02 0.00 0.00 177.57 179.53 2klo n HIS 134 N -5.39 0.03 -1.32 1.57 -0.00 -1.26 -5.03 115.22 103.83 2klo n HIS 134 Ca 0.04 -0.05 -0.29 0.00 -0.00 0.00 0.00 57.72 57.41 2klo n HIS 134 Cb 0.30 -0.00 0.15 0.00 -0.00 0.00 0.00 29.99 30.43 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 -0.70 1.42 0.00 1.57 0.00 -1.03 -5.01 121.76 118.01 2klo s ALA 135 Ca 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2klo s ALA 135 Cb 0.07 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.08 2klo s ALA 135 CO 0.10 -2.48 0.00 0.39 0.00 0.00 0.00 175.76 173.77 2klo n GLU 136 N -3.93 0.00 -0.62 0.00 1.02 -1.26 -4.99 120.64 110.86 2klo n GLU 136 Ca 0.06 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.18 2klo n GLU 136 Cb 0.57 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.97 2klo n GLU 136 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2klo n GLY 137 N 1.10 -0.13 0.00 0.62 0.00 -1.26 -5.19 105.19 100.33 2klo n GLY 137 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2klo n GLY 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36