#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 0.83 -0.24 0.55 0.00 -1.26 -5.06 121.76 116.58 2klo s ALA 2 Ca 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 51.96 51.37 2klo s ALA 2 Cb 0.00 -3.04 0.08 0.00 0.00 0.00 0.00 23.12 20.16 2klo s ALA 2 CO 0.00 -3.09 0.08 0.00 0.00 0.00 0.00 175.76 172.75 2klo s ALA 3 N -2.99 0.99 -0.46 0.00 0.00 -1.26 -5.05 121.76 112.99 2klo s ALA 3 Ca 0.67 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 51.73 2klo s ALA 3 Cb -0.16 -1.31 0.21 0.00 0.00 0.00 0.00 23.12 21.86 2klo s ALA 3 CO 0.57 -1.39 0.64 0.45 0.00 0.00 0.00 175.76 176.03 2klo n SER 4 N 5.07 -2.00 -2.31 0.00 2.88 -1.26 -5.02 113.62 110.97 2klo n SER 4 Ca -0.06 -2.85 -0.19 0.00 -1.33 0.00 0.00 58.87 54.44 2klo n SER 4 Cb 0.45 0.82 -0.13 0.00 -0.75 0.00 0.00 64.21 64.60 2klo n SER 4 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2klo n PRO 5 N 2.33 2.39 -4.12 -1.46 -0.04 -1.26 -4.85 135.00 128.00 2klo n PRO 5 Ca 0.19 -1.48 -0.11 0.00 -0.04 0.00 0.00 63.50 62.06 2klo n PRO 5 Cb 0.55 -2.16 -0.08 0.00 -0.04 0.00 0.00 33.50 31.78 2klo n PRO 5 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2klo s SER 6 N 1.69 0.08 0.47 3.54 0.15 -1.26 -5.16 113.70 113.20 2klo s SER 6 Ca 0.66 -1.22 -0.20 0.00 0.70 0.00 0.00 55.95 55.89 2klo s SER 6 Cb 0.31 0.46 -0.09 0.00 -1.71 0.00 0.00 66.02 64.99 2klo s SER 6 CO -0.05 -0.96 1.00 0.00 1.20 0.00 0.00 173.24 174.43 2klo s ALA 7 N -4.09 2.95 -0.25 5.45 0.00 -1.26 -5.06 121.76 119.50 2klo s ALA 7 Ca 0.33 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.80 2klo s ALA 7 Cb 0.04 -3.20 0.06 0.00 0.00 0.00 0.00 23.12 20.01 2klo s ALA 7 CO 0.11 -0.13 -0.09 -0.48 0.00 0.00 0.00 175.76 175.17 2klo s LEU 8 N -3.41 3.05 0.00 0.00 2.34 -1.26 -5.11 118.68 114.29 2klo s LEU 8 Ca 0.65 -1.28 0.00 0.00 0.06 0.00 0.00 54.13 53.56 2klo s LEU 8 Cb -0.13 -1.40 -0.00 0.00 -0.56 0.00 0.00 46.19 44.10 2klo s LEU 8 CO 0.18 -0.20 -0.01 -1.59 -1.06 0.00 0.00 176.35 173.67 2klo s LYS 9 N 1.23 0.10 0.00 1.48 0.00 -1.26 -5.11 119.74 116.18 2klo s LYS 9 Ca -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 55.97 55.79 2klo s LYS 9 Cb -0.19 -0.05 0.00 0.00 0.00 0.00 0.00 37.83 37.58 2klo s LYS 9 CO -0.06 0.01 0.00 0.41 0.00 0.00 0.00 175.35 175.71 2klo n GLY 10 N 2.87 2.37 0.63 0.59 0.00 -1.26 -4.99 105.19 105.40 2klo n GLY 10 Ca -0.14 -1.90 0.01 0.00 0.00 0.00 0.00 46.02 44.00 2klo n GLY 10 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2klo n VAL 11 N 1.61 0.15 0.93 1.61 3.14 -1.26 -4.89 118.33 119.62 2klo n VAL 11 Ca 0.00 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 61.03 2klo n VAL 11 Cb 0.00 0.52 0.00 0.00 -1.06 0.00 0.00 33.84 33.30 2klo n VAL 11 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2klo n SER 12 N -0.03 0.76 0.08 6.55 7.64 -1.26 -4.41 113.62 122.95 2klo n SER 12 Ca 0.02 -1.69 -0.07 0.00 1.01 0.00 0.00 58.87 58.13 2klo n SER 12 Cb 0.77 -0.38 -0.04 0.00 -1.01 0.00 0.00 64.21 63.54 2klo n SER 12 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 2klo h GLN 13 N 0.14 -0.36 0.00 1.43 3.07 -2.01 -2.72 115.11 114.65 2klo h GLN 13 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.76 2klo h GLN 13 Cb 0.38 0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.02 2klo h GLN 13 CO 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 178.83 178.68 2klo h ALA 14 N -1.24 1.00 -1.00 0.06 0.00 -2.02 -3.05 119.26 113.00 2klo h ALA 14 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2klo h ALA 14 Cb 0.35 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2klo h ALA 14 CO -0.08 0.00 0.66 1.25 0.00 0.00 0.00 179.25 181.08 2klo h LEU 15 N 0.00 1.14 -1.57 0.00 5.85 -1.75 -1.23 115.31 117.74 2klo h LEU 15 Ca 0.00 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2klo h LEU 15 Cb 0.57 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 2klo h LEU 15 CO 0.00 0.81 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.80 2klo h LEU 16 N 1.34 0.00 0.10 2.25 4.07 -1.40 0.03 115.31 121.70 2klo h LEU 16 Ca 0.37 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 58.09 2klo h LEU 16 Cb -0.12 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.64 2klo h LEU 16 CO -0.09 0.04 -1.01 -0.33 -1.08 0.00 0.00 178.44 175.97 2klo h GLU 17 N 0.00 0.52 0.15 1.13 5.08 -1.39 -2.57 114.58 117.50 2klo h GLU 17 Ca -0.00 -0.68 -0.26 0.00 -1.00 0.00 0.00 59.36 57.41 2klo h GLU 17 Cb 0.49 0.22 0.03 0.00 0.50 0.00 0.00 28.75 29.99 2klo h GLU 17 CO 0.01 1.29 -1.13 0.07 -1.00 0.00 0.00 179.01 178.25 2klo h ARG 18 N 0.06 0.50 -0.95 2.33 -0.00 -1.31 -3.27 114.38 111.74 2klo h ARG 18 Ca -0.15 -0.74 0.09 0.00 -0.00 0.00 0.00 59.98 59.18 2klo h ARG 18 Cb 1.72 0.26 -0.07 0.00 -0.00 0.00 0.00 29.97 31.88 2klo h ARG 18 CO 0.19 1.33 0.59 0.82 -0.00 0.00 0.00 179.97 182.91 2klo h ILE 19 N 0.03 0.99 -0.62 0.08 2.04 -1.10 -0.81 117.51 118.11 2klo h ILE 19 Ca -0.18 -0.35 0.10 0.00 1.00 0.00 0.00 64.86 65.43 2klo h ILE 19 Cb 1.85 -0.11 -0.11 0.00 -0.74 0.00 0.00 36.82 37.71 2klo h ILE 19 CO 0.21 0.18 -0.41 -0.09 0.00 0.00 0.00 178.15 178.05 2klo h ARG 20 N 1.01 -0.19 0.02 2.37 9.65 -1.50 0.99 114.38 126.73 2klo h ARG 20 Ca 0.44 0.01 -0.24 0.00 -1.10 0.00 0.00 59.98 59.09 2klo h ARG 20 Cb 0.32 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.91 2klo h ARG 20 CO -0.22 -0.12 -1.25 0.00 2.80 0.00 0.00 179.97 181.18 2klo h ALA 21 N 0.76 0.44 -0.61 2.80 0.00 -1.63 -3.36 119.26 117.66 2klo h ALA 21 Ca 0.20 -1.07 -0.10 0.00 0.00 0.00 0.00 54.91 53.94 2klo h ALA 21 Cb 0.56 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2klo h ALA 21 CO -0.71 1.32 0.01 -0.22 0.00 0.00 0.00 179.25 179.64 2klo h LYS 22 N 0.01 1.07 0.00 0.00 3.64 -0.43 -2.66 116.57 118.19 2klo h LYS 22 Ca -0.11 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2klo h LYS 22 Cb 1.87 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.59 2klo h LYS 22 CO 0.12 1.03 0.00 0.39 -2.27 0.00 0.00 179.45 178.73 2klo n GLU 23 N -4.18 0.05 0.27 1.90 1.02 0.28 -2.83 120.64 117.15 2klo n GLU 23 Ca 0.03 0.21 0.11 0.00 -0.02 0.00 0.00 57.16 57.49 2klo n GLU 23 Cb 0.34 -1.50 0.74 0.00 -0.02 0.00 0.00 31.44 31.00 2klo n GLU 23 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2klo h VAL 24 N 0.00 0.81 0.00 2.62 3.04 -1.61 0.06 116.25 121.17 2klo h VAL 24 Ca 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 2klo h VAL 24 Cb 0.24 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.58 2klo h VAL 24 CO 0.00 0.03 0.00 0.00 -1.01 0.00 0.00 177.57 176.59 2klo n GLN 25 N -4.20 0.25 0.00 4.17 6.02 -1.13 -3.30 117.38 119.19 2klo n GLN 25 Ca -0.03 0.21 0.10 0.00 -0.01 0.00 0.00 57.00 57.28 2klo n GLN 25 Cb 0.11 -1.79 -0.06 0.00 1.02 0.00 0.00 30.24 29.51 2klo n GLN 25 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2klo n LYS 26 N -2.23 0.18 -0.02 -1.09 5.02 -0.03 -4.48 118.16 115.51 2klo n LYS 26 Ca 0.06 -0.14 0.23 0.00 -2.02 0.00 0.00 58.31 56.43 2klo n LYS 26 Cb 0.42 -1.50 0.72 0.00 -0.02 0.00 0.00 35.03 34.66 2klo n LYS 26 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 2klo h GLN 27 N 0.35 0.00 0.00 1.97 3.07 -1.46 -1.60 115.11 117.44 2klo h GLN 27 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2klo h GLN 27 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.10 2klo h GLN 27 CO 0.00 0.00 0.03 1.25 0.09 0.00 0.00 178.83 180.20 2klo h LEU 28 N 0.00 0.00 -4.64 0.06 7.12 -1.83 -2.56 115.31 113.46 2klo h LEU 28 Ca 0.29 0.00 -0.44 0.00 0.13 0.00 0.00 57.88 57.86 2klo h LEU 28 Cb 1.33 0.00 -0.41 0.00 -0.53 0.00 0.00 40.66 41.04 2klo h LEU 28 CO -0.00 0.00 -0.96 0.00 -0.13 0.00 0.00 178.44 177.35 2klo n ALA 29 N -1.86 4.04 -2.43 1.25 0.00 -0.60 -5.07 120.51 115.84 2klo n ALA 29 Ca -0.02 -3.50 -0.09 0.00 0.00 0.00 0.00 53.44 49.83 2klo n ALA 29 Cb 0.07 -0.65 -0.08 0.00 0.00 0.00 0.00 19.45 18.79 2klo n ALA 29 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2klo s ARG 30 N -3.54 0.93 0.00 0.00 0.52 -0.97 -5.05 118.95 110.85 2klo s ARG 30 Ca 0.39 -1.19 0.00 0.00 -0.52 0.00 0.00 55.73 54.41 2klo s ARG 30 Cb 0.39 0.31 0.00 0.00 0.52 0.00 0.00 34.95 36.17 2klo s ARG 30 CO -0.03 -0.29 0.60 -1.33 0.02 0.00 0.00 175.30 174.26 2klo n MET 31 N -0.09 0.00 -4.30 3.54 2.81 -1.26 -5.03 117.12 112.79 2klo n MET 31 Ca -0.10 -0.48 -0.17 0.00 -1.81 0.00 0.00 57.70 55.15 2klo n MET 31 Cb 0.63 -0.29 -0.09 0.00 -0.71 0.00 0.00 33.22 32.75 2klo n MET 31 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2klo s THR 32 N 0.00 0.26 -0.97 2.03 -4.23 -1.26 -4.97 115.64 106.50 2klo s THR 32 Ca 0.00 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.22 2klo s THR 32 Cb 0.00 -2.53 0.04 0.00 1.34 0.00 0.00 72.50 71.35 2klo s THR 32 CO 0.00 0.00 0.54 -2.11 -0.54 0.00 0.00 174.62 172.51 2klo n ARG 33 N -0.51 -0.36 0.15 3.99 0.00 -1.26 -4.70 116.66 113.96 2klo n ARG 33 Ca 0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 2klo n ARG 33 Cb 0.65 -1.74 0.00 0.00 -0.00 0.00 0.00 32.46 31.37 2klo n ARG 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2klo n PRO 35 N -3.15 0.10 0.16 0.00 -0.04 -1.26 -2.32 135.00 128.48 2klo n PRO 35 Ca 0.00 0.20 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 2klo n PRO 35 Cb 0.00 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 32.52 2klo n PRO 35 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2klo h GLU 36 N 0.00 0.00 0.00 0.54 4.39 -1.94 -1.79 114.58 115.78 2klo h GLU 36 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2klo h GLU 36 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2klo h GLU 36 CO 0.00 0.00 0.00 1.96 -1.16 0.00 0.00 179.01 179.81 2klo h GLN 37 N 0.00 0.00 0.02 2.33 7.50 -1.87 -3.37 115.11 119.73 2klo h GLN 37 Ca 0.00 0.00 0.02 0.00 0.50 0.00 0.00 58.65 59.17 2klo h GLN 37 Cb 0.19 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.67 2klo h GLN 37 CO 0.00 0.00 -0.49 1.49 -1.50 0.00 0.00 178.83 178.33 2klo h GLU 38 N 0.00 -0.61 -0.84 1.46 4.57 -1.56 -1.41 114.58 116.19 2klo h GLU 38 Ca 0.00 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.29 2klo h GLU 38 Cb 0.71 0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 29.39 2klo h GLU 38 CO 0.00 -0.40 0.55 1.37 -1.18 0.00 0.00 179.01 179.35 2klo h LEU 39 N -0.63 0.82 -0.31 1.64 -0.00 -1.80 -1.67 115.31 113.36 2klo h LEU 39 Ca 0.01 0.01 0.01 0.00 -0.00 0.00 0.00 57.88 57.90 2klo h LEU 39 Cb 0.67 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.14 2klo h LEU 39 CO -0.32 0.53 0.19 0.03 -0.00 0.00 0.00 178.44 178.87 2klo h ARG 40 N 0.94 0.38 0.32 0.17 2.47 -1.49 0.61 114.38 117.78 2klo h ARG 40 Ca 0.36 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 59.04 2klo h ARG 40 Cb 0.22 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 2klo h ARG 40 CO -0.13 0.25 -0.16 -0.07 0.56 0.00 0.00 179.97 180.42 2klo h LEU 41 N 0.39 -0.37 -1.86 3.04 3.38 -0.63 -1.79 115.31 117.47 2klo h LEU 41 Ca 0.12 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.09 2klo h LEU 41 Cb -0.01 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2klo h LEU 41 CO -0.05 -0.23 0.13 -0.61 0.09 0.00 0.00 178.44 177.78 2klo h GLN 42 N -0.48 0.18 -0.01 1.13 5.75 -1.14 -0.02 115.11 120.52 2klo h GLN 42 Ca -0.04 -0.01 -0.16 0.00 -0.15 0.00 0.00 58.65 58.29 2klo h GLN 42 Cb 0.36 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 2klo h GLN 42 CO 0.07 0.12 -0.72 0.00 -2.65 0.00 0.00 178.83 175.65 2klo h ARG 43 N 0.19 0.07 -0.30 1.69 3.08 -0.57 -3.17 114.38 115.37 2klo h ARG 43 Ca 0.08 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 2klo h ARG 43 Cb 0.09 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2klo h ARG 43 CO -0.01 0.76 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.44 2klo h LEU 44 N 0.05 0.64 0.00 3.04 3.38 -0.14 -3.16 115.31 119.12 2klo h LEU 44 Ca -0.01 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2klo h LEU 44 Cb 1.28 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2klo h LEU 44 CO 0.10 0.90 0.08 -0.62 0.09 0.00 0.00 178.44 178.99 2klo n GLU 45 N -4.41 0.00 0.16 1.13 -0.58 -0.89 -2.00 120.64 114.05 2klo n GLU 45 Ca -0.03 0.41 0.13 0.00 -0.42 0.00 0.00 57.16 57.25 2klo n GLU 45 Cb 0.37 -1.58 0.55 0.00 -0.57 0.00 0.00 31.44 30.20 2klo n GLU 45 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2klo h ARG 46 N 0.00 0.00 0.26 3.49 1.12 -1.63 -3.31 114.38 114.31 2klo h ARG 46 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.86 2klo h ARG 46 Cb 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.13 2klo h ARG 46 CO 0.00 0.00 -0.14 -0.07 -3.11 0.00 0.00 179.97 176.65 2klo h LEU 47 N 0.00 -0.35 -1.59 3.80 3.38 -1.66 -2.68 115.31 116.21 2klo h LEU 47 Ca 0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2klo h LEU 47 Cb 0.36 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2klo h LEU 47 CO 0.00 -0.23 0.20 1.55 0.09 0.00 0.00 178.44 180.05 2klo h PRO 48 N -0.37 0.47 0.34 1.13 0.13 -1.85 -2.72 132.00 129.13 2klo h PRO 48 Ca -0.03 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 2klo h PRO 48 Cb 0.29 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.29 2klo h PRO 48 CO 0.05 0.34 -0.44 1.49 -0.23 0.00 0.00 178.00 179.21 2klo h GLU 49 N 0.48 -0.77 -0.74 0.86 4.57 -1.64 0.84 114.58 118.17 2klo h GLU 49 Ca 0.13 0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.32 2klo h GLU 49 Cb 0.00 0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 2klo h GLU 49 CO -0.02 -0.52 0.32 -0.07 -1.18 0.00 0.00 179.01 177.54 2klo h LEU 50 N -0.80 0.99 0.09 1.64 -0.00 -1.41 -1.43 115.31 114.40 2klo h LEU 50 Ca -0.04 -0.13 -0.00 0.00 -0.00 0.00 0.00 57.88 57.70 2klo h LEU 50 Cb 0.72 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 2klo h LEU 50 CO -0.11 0.87 -0.04 0.00 -0.00 0.00 0.00 178.44 179.15 2klo h ALA 51 N 1.28 -0.13 -0.43 1.53 0.00 -1.27 0.11 119.26 120.35 2klo h ALA 51 Ca 0.25 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2klo h ALA 51 Cb 0.17 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2klo h ALA 51 CO -0.03 -0.53 0.24 0.00 0.00 0.00 0.00 179.25 178.93 2klo h ARG 52 N -0.21 0.46 -0.36 0.00 3.08 -0.65 -1.85 114.38 114.85 2klo h ARG 52 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2klo h ARG 52 Cb 0.17 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2klo h ARG 52 CO 0.02 0.31 0.24 0.28 -1.07 0.00 0.00 179.97 179.74 2klo h VAL 53 N 0.48 1.09 -0.51 2.04 2.07 -1.11 -2.22 116.25 118.08 2klo h VAL 53 Ca 0.18 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.63 2klo h VAL 53 Cb 0.05 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 30.31 2klo h VAL 53 CO -0.10 0.09 0.07 0.25 0.02 0.00 0.00 177.57 177.90 2klo h LEU 54 N 0.48 -0.06 -0.66 2.57 5.85 -0.39 -0.04 115.31 123.06 2klo h LEU 54 Ca 0.13 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.98 2klo h LEU 54 Cb -0.05 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2klo h LEU 54 CO -0.03 -0.01 0.41 -0.09 -0.34 0.00 0.00 178.44 178.38 2klo h ARG 55 N 0.20 0.79 -0.60 1.25 2.43 -1.01 -2.10 114.38 115.33 2klo h ARG 55 Ca 0.26 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2klo h ARG 55 Cb 0.37 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 2klo h ARG 55 CO -0.36 0.52 0.38 -0.97 -1.51 0.00 0.00 179.97 178.02 2klo h ASN 56 N 0.81 0.62 0.95 -3.80 -1.24 -0.46 -2.15 115.58 110.31 2klo h ASN 56 Ca 0.27 -0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.23 2klo h ASN 56 Cb 0.02 -0.14 0.01 0.00 0.73 0.00 0.00 38.32 38.94 2klo h ASN 56 CO -0.10 0.44 -0.46 0.58 -1.29 0.00 0.00 177.43 176.60 2klo h VAL 57 N 0.75 0.00 -0.19 2.57 2.07 -0.68 -1.45 116.25 119.31 2klo h VAL 57 Ca 0.24 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.79 2klo h VAL 57 Cb -0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 2klo h VAL 57 CO -0.09 0.00 0.14 -0.26 0.02 0.00 0.00 177.57 177.38 2klo h PHE 58 N -1.30 0.01 -0.08 1.57 -1.00 -1.37 0.78 116.94 115.56 2klo h PHE 58 Ca -0.13 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.54 2klo h PHE 58 Cb 0.98 -0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.54 2klo h PHE 58 CO 0.01 0.01 -0.39 0.28 -1.61 0.00 0.00 178.31 176.61 2klo h VAL 59 N 0.01 1.40 -0.87 -0.55 2.07 -1.27 -3.22 116.25 113.83 2klo h VAL 59 Ca 0.09 -1.77 -0.02 0.00 0.82 0.00 0.00 66.70 65.82 2klo h VAL 59 Cb 0.35 2.29 -0.04 0.00 -1.52 0.00 0.00 31.29 32.37 2klo h VAL 59 CO -0.00 0.52 0.46 -1.28 0.02 0.00 0.00 177.57 177.29 2klo h SER 60 N -0.06 1.09 0.34 0.57 0.87 -0.11 -2.45 113.55 113.80 2klo h SER 60 Ca -0.03 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2klo h SER 60 Cb 1.04 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 2klo h SER 60 CO 0.08 0.89 0.00 1.21 -0.53 0.00 0.00 176.83 178.48 2klo n GLU 61 N -4.35 0.11 -0.92 2.24 4.07 0.15 -4.86 120.64 117.09 2klo n GLU 61 Ca 0.09 0.48 0.00 0.00 -0.06 0.00 0.00 57.16 57.67 2klo n GLU 61 Cb 0.10 -1.78 0.00 0.00 -0.06 0.00 0.00 31.44 29.71 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 -2.00 -1.45 -3.77 5.31 0.63 -0.92 -4.93 116.66 109.52 2klo n ARG 62 Ca 0.01 0.36 -0.15 0.00 -0.92 0.00 0.00 57.85 57.16 2klo n ARG 62 Cb 0.12 -4.70 -0.16 0.00 0.45 0.00 0.00 32.46 28.17 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 -1.62 -0.01 0.00 -0.14 -2.85 -1.25 -5.05 119.74 108.82 2klo s LYS 63 Ca 0.00 0.23 0.27 0.00 -1.00 0.00 0.00 55.97 55.47 2klo s LYS 63 Cb 0.00 -0.23 0.92 0.00 -2.06 0.00 0.00 37.83 36.46 2klo s LYS 63 CO 0.00 -0.17 1.69 -0.35 0.10 0.00 0.00 175.35 176.62 2klo n PRO 64 N 4.18 0.23 -4.03 1.78 -0.04 -1.26 -4.77 135.00 131.09 2klo n PRO 64 Ca -0.27 -0.09 -0.34 0.00 -0.04 0.00 0.00 63.50 62.75 2klo n PRO 64 Cb 0.51 -1.50 -0.15 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 -2.83 2.54 0.11 0.55 0.00 -1.26 -2.09 121.76 118.78 2klo s ALA 65 Ca 0.17 -1.27 0.04 0.00 0.00 0.00 0.00 51.96 50.90 2klo s ALA 65 Cb 0.19 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 2klo s ALA 65 CO 0.58 -0.49 -0.11 -0.51 0.00 0.00 0.00 175.76 175.22 2klo s LEU 66 N 1.34 2.42 0.60 0.00 1.43 -0.92 -4.98 118.68 118.57 2klo s LEU 66 Ca 0.04 -0.83 -0.16 0.00 -1.03 0.00 0.00 54.13 52.14 2klo s LEU 66 Cb -0.14 -0.39 -0.03 0.00 0.03 0.00 0.00 46.19 45.66 2klo s LEU 66 CO -0.08 -0.23 1.07 -0.89 0.23 0.00 0.00 176.35 176.45 2klo s THR 67 N -2.44 3.61 0.17 5.49 2.01 -1.26 -0.52 115.64 122.70 2klo s THR 67 Ca 0.08 0.80 -0.14 0.00 0.31 0.00 0.00 61.69 62.73 2klo s THR 67 Cb -0.03 -3.31 0.07 0.00 0.01 0.00 0.00 72.50 69.24 2klo s THR 67 CO 0.01 -0.42 1.74 -0.03 -0.69 0.00 0.00 174.62 175.23 2klo h MET 68 N 0.47 0.28 -0.45 4.92 4.05 -1.32 -1.52 114.93 121.37 2klo h MET 68 Ca -0.47 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 58.93 2klo h MET 68 Cb 1.23 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.94 2klo h MET 68 CO 0.57 0.19 0.29 1.49 0.23 0.00 0.00 176.91 179.67 2klo h GLU 69 N 0.29 0.59 0.68 0.39 4.81 -1.93 0.13 114.58 119.55 2klo h GLU 69 Ca 0.21 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 2klo h GLU 69 Cb 0.22 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.48 2klo h GLU 69 CO -0.23 0.40 -0.33 0.28 -0.73 0.00 0.00 179.01 178.40 2klo h VAL 70 N 0.61 0.00 -0.96 0.32 2.07 -1.68 -1.50 116.25 115.11 2klo h VAL 70 Ca 0.16 -0.27 0.15 0.00 0.82 0.00 0.00 66.70 67.56 2klo h VAL 70 Cb -0.05 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.62 2klo h VAL 70 CO -0.03 0.00 0.58 0.58 0.02 0.00 0.00 177.57 178.71 2klo h VAL 71 N -1.19 0.79 0.48 2.57 2.07 -1.08 -1.43 116.25 118.46 2klo h VAL 71 Ca -0.09 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 2klo h VAL 71 Cb 0.70 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2klo h VAL 71 CO 0.15 0.15 -0.23 0.00 0.02 0.00 0.00 177.57 177.66 2klo h ALA 73 N -0.72 1.60 -0.58 0.00 0.00 -1.03 0.49 119.26 119.02 2klo h ALA 73 Ca -0.07 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2klo h ALA 73 Cb 0.59 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2klo h ALA 73 CO 0.11 0.19 -0.03 0.00 0.00 0.00 0.00 179.25 179.52 2klo h ARG 74 N 0.93 1.03 0.10 0.00 2.47 -1.22 -2.29 114.38 115.39 2klo h ARG 74 Ca 0.45 -0.33 -0.00 0.00 -1.26 0.00 0.00 59.98 58.83 2klo h ARG 74 Cb 0.46 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 2klo h ARG 74 CO -0.21 1.02 -0.05 1.98 0.56 0.00 0.00 179.97 183.27 2klo h MET 75 N 0.94 -0.13 -0.58 0.04 4.05 0.19 -3.33 114.93 116.10 2klo h MET 75 Ca 0.16 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.65 2klo h MET 75 Cb 0.58 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.37 2klo h MET 75 CO 0.03 0.30 0.38 -0.24 0.23 0.00 0.00 176.91 177.62 2klo h VAL 76 N -0.94 1.01 0.00 -5.77 3.04 -1.05 -0.96 116.25 111.58 2klo h VAL 76 Ca -0.01 -0.20 -0.02 0.00 -1.01 0.00 0.00 66.70 65.46 2klo h VAL 76 Cb 0.49 0.38 -0.00 0.00 -2.01 0.00 0.00 31.29 30.16 2klo h VAL 76 CO 0.02 0.11 -0.08 -0.78 -1.01 0.00 0.00 177.57 175.83 2klo h ASP 77 N 0.58 0.00 0.13 3.17 3.58 -1.54 -0.98 116.42 121.35 2klo h ASP 77 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 2klo h ASP 77 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2klo h ASP 77 CO -0.07 0.08 0.00 -0.24 -2.88 0.00 0.00 179.24 176.13 2klo n SER 78 N -3.85 0.00 0.00 2.28 2.88 -0.36 -3.33 113.62 111.24 2klo n SER 78 Ca -0.02 -0.56 0.10 0.00 -1.33 0.00 0.00 58.87 57.06 2klo n SER 78 Cb 0.17 -0.08 0.49 0.00 -0.75 0.00 0.00 64.21 64.04 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 -1.42 0.29 0.00 0.00 10.64 -1.21 -3.83 117.38 121.84 2klo n GLN 80 Ca 0.07 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.24 2klo n GLN 80 Cb 0.22 -1.36 0.00 0.00 -0.86 0.00 0.00 30.24 28.24 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 0.96 0.00 -1.93 -0.39 5.66 -1.26 -5.05 114.28 112.27 2klo n THR 81 Ca 0.00 0.04 -0.04 0.00 -3.05 0.00 0.00 64.05 61.00 2klo n THR 81 Cb 0.14 -0.78 -0.02 0.00 -1.55 0.00 0.00 70.33 68.13 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 -1.56 1.40 -2.16 1.79 0.00 -1.25 -5.15 120.51 113.58 2klo n ALA 82 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 53.44 52.91 2klo n ALA 82 Cb 0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.41 2.23 0.44 0.00 0.05 -1.25 -5.17 118.68 114.58 2klo s LEU 83 Ca 0.01 -1.09 -0.08 0.00 0.05 0.00 0.00 54.13 53.01 2klo s LEU 83 Cb 0.04 0.09 -0.05 0.00 -2.05 0.00 0.00 46.19 44.23 2klo s LEU 83 CO -0.01 -0.59 0.79 -0.44 -0.55 0.00 0.00 176.35 175.54 2klo s SER 84 N -3.04 6.40 0.52 1.48 0.01 -1.26 -4.77 113.70 113.05 2klo s SER 84 Ca 0.16 1.06 0.27 0.00 1.31 0.00 0.00 55.95 58.76 2klo s SER 84 Cb 0.07 -2.30 1.45 0.00 0.21 0.00 0.00 66.02 65.45 2klo s SER 84 CO -0.03 -0.49 2.08 1.55 0.41 0.00 0.00 173.24 176.76 2klo h PRO 85 N 0.78 0.00 0.00 12.44 0.13 -1.92 -1.02 132.00 142.41 2klo h PRO 85 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 2klo h PRO 85 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2klo h PRO 85 CO 0.63 0.11 -0.25 0.78 -0.23 0.00 0.00 178.00 179.04 2klo h GLY 86 N 0.78 0.00 1.85 1.56 0.00 -2.00 -2.46 103.07 102.81 2klo h GLY 86 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 2klo h GLY 86 CO 0.01 0.00 -0.69 0.83 0.00 0.00 0.00 176.54 176.69 2klo h GLU 87 N 0.00 0.14 -0.50 4.80 5.08 -1.57 -2.27 114.58 120.27 2klo h GLU 87 Ca -0.00 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2klo h GLU 87 Cb 0.72 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2klo h GLU 87 CO 0.03 0.78 0.28 1.98 -1.00 0.00 0.00 179.01 181.08 2klo h MET 88 N 0.10 0.69 -0.18 2.33 4.05 -1.46 -0.09 114.93 120.38 2klo h MET 88 Ca -0.01 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.32 2klo h MET 88 Cb 1.23 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.88 2klo h MET 88 CO 0.10 0.53 0.05 0.93 0.23 0.00 0.00 176.91 178.75 2klo h GLU 89 N 0.66 0.27 0.00 0.39 5.08 -1.45 -2.48 114.58 117.05 2klo h GLU 89 Ca 0.18 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2klo h GLU 89 Cb 0.03 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2klo h GLU 89 CO -0.03 0.39 -0.05 0.87 -1.00 0.00 0.00 179.01 179.18 2klo h LYS 90 N 0.11 0.00 0.09 2.33 1.57 -1.00 -2.54 116.57 117.13 2klo h LYS 90 Ca 0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2klo h LYS 90 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2klo h LYS 90 CO -0.00 0.05 -0.04 1.25 -0.57 0.00 0.00 179.45 180.14 2klo h HIS 91 N 0.00 -0.11 -0.65 -1.35 2.76 -0.59 -2.41 115.15 112.80 2klo h HIS 91 Ca -0.00 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2klo h HIS 91 Cb 0.10 0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.06 2klo h HIS 91 CO 0.00 0.40 0.42 1.37 -1.30 0.00 0.00 177.93 178.83 2klo h LEU 92 N -0.73 0.73 -0.43 0.26 8.10 -1.28 -0.61 115.31 121.35 2klo h LEU 92 Ca -0.01 -0.02 -0.07 0.00 0.11 0.00 0.00 57.88 57.89 2klo h LEU 92 Cb 0.56 -0.18 -0.02 0.00 -0.44 0.00 0.00 40.66 40.59 2klo h LEU 92 CO 0.02 0.52 -0.00 1.62 -4.11 0.00 0.00 178.44 176.49 2klo h VAL 93 N 0.86 1.26 -0.42 0.15 3.04 -1.56 -0.72 116.25 118.86 2klo h VAL 93 Ca 0.24 -1.04 0.00 0.00 -1.01 0.00 0.00 66.70 64.90 2klo h VAL 93 Cb -0.08 1.09 -0.02 0.00 -2.01 0.00 0.00 31.29 30.26 2klo h VAL 93 CO -0.06 0.35 0.28 0.25 -1.01 0.00 0.00 177.57 177.38 2klo h LEU 94 N 0.59 0.49 -0.53 3.16 5.85 -1.16 -1.24 115.31 122.48 2klo h LEU 94 Ca 0.12 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 2klo h LEU 94 Cb 0.49 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2klo h LEU 94 CO 0.02 0.37 -0.10 0.25 -0.34 0.00 0.00 178.44 178.64 2klo h LEU 95 N 0.57 1.00 -1.31 2.25 5.85 -0.97 -2.76 115.31 119.93 2klo h LEU 95 Ca 0.15 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.48 2klo h LEU 95 Cb -0.05 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.70 2klo h LEU 95 CO -0.03 1.11 -0.22 0.00 -0.34 0.00 0.00 178.44 178.96 2klo h ALA 96 N 0.92 1.09 0.35 1.25 0.00 -0.86 0.91 119.26 122.91 2klo h ALA 96 Ca 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2klo h ALA 96 Cb 0.66 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2klo h ALA 96 CO 0.05 0.28 -0.17 1.49 0.00 0.00 0.00 179.25 180.90 2klo h GLU 97 N 0.00 -0.45 0.01 0.00 4.22 -0.95 -2.09 114.58 115.33 2klo h GLU 97 Ca -0.00 0.03 -0.20 0.00 0.08 0.00 0.00 59.36 59.27 2klo h GLU 97 Cb 0.66 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2klo h GLU 97 CO 0.03 -0.13 -0.92 -0.07 -2.18 0.00 0.00 179.01 175.74 2klo h LEU 98 N -0.82 0.13 -5.92 1.64 -0.00 -1.49 -3.38 115.31 105.47 2klo h LEU 98 Ca -0.05 -0.11 -0.58 0.00 -0.00 0.00 0.00 57.88 57.14 2klo h LEU 98 Cb 0.53 -0.04 -0.41 0.00 -0.00 0.00 0.00 40.66 40.73 2klo h LEU 98 CO 0.08 0.98 -0.77 0.18 -0.00 0.00 0.00 178.44 178.91 2klo n LEU 99 N -3.54 2.92 0.26 1.67 4.77 0.31 -4.89 117.00 118.50 2klo n LEU 99 Ca -0.02 -5.31 0.14 0.00 -0.03 0.00 0.00 56.01 50.79 2klo n LEU 99 Cb 0.85 -0.24 0.63 0.00 -2.33 0.00 0.00 43.42 42.34 2klo n LEU 99 CO 0.47 2.16 0.93 1.55 -1.33 0.00 0.00 177.39 181.17 2klo h PRO 100 N 3.73 0.00 -0.17 3.23 0.13 -1.56 -1.46 132.00 135.91 2klo h PRO 100 Ca 0.15 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.16 2klo h PRO 100 Cb 0.70 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 2klo h PRO 100 CO 0.72 0.09 -0.41 -0.44 -0.23 0.00 0.00 178.00 177.73 2klo h ASP 101 N 0.00 0.41 0.06 1.44 3.32 -1.90 -3.29 116.42 116.46 2klo h ASP 101 Ca -0.00 -0.18 -0.24 0.00 0.02 0.00 0.00 57.03 56.63 2klo h ASP 101 Cb 0.55 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 2klo h ASP 101 CO 0.01 0.78 -1.29 -0.25 -1.72 0.00 0.00 179.24 176.77 2klo h TRP 102 N 0.32 0.23 -3.38 4.55 7.01 -1.83 -3.43 115.95 119.41 2klo h TRP 102 Ca 0.03 -0.17 -0.66 0.00 2.11 0.00 0.00 58.89 60.21 2klo h TRP 102 Cb 0.87 -0.01 -0.27 0.00 -2.10 0.00 0.00 29.16 27.65 2klo h TRP 102 CO 0.02 1.50 -0.72 -1.17 -2.79 0.00 0.00 178.44 175.29 2klo s LEU 103 N -7.68 2.91 0.04 0.65 2.96 -0.59 -3.24 118.68 113.73 2klo s LEU 103 Ca -0.24 -0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 53.31 2klo s LEU 103 Cb 0.05 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 2klo s LEU 103 CO 0.69 0.02 -0.04 -0.94 -1.32 0.00 0.00 176.35 174.76 2klo s SER 104 N 1.26 0.48 0.14 3.68 1.04 -1.00 -4.30 113.70 115.00 2klo s SER 104 Ca 0.03 -0.80 0.07 0.00 0.48 0.00 0.00 55.95 55.73 2klo s SER 104 Cb -0.14 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 2klo s SER 104 CO -0.02 -0.46 -0.15 -1.48 0.98 0.00 0.00 173.24 172.11 2klo s LEU 105 N -2.34 2.43 -0.20 2.42 0.05 -1.26 -0.56 118.68 119.22 2klo s LEU 105 Ca -0.02 -0.85 -0.04 0.00 0.05 0.00 0.00 54.13 53.28 2klo s LEU 105 Cb 0.00 -0.65 0.07 0.00 -2.05 0.00 0.00 46.19 43.56 2klo s LEU 105 CO -0.06 -0.11 0.08 -1.00 -0.55 0.00 0.00 176.35 174.71 2klo s HIS 106 N -2.18 0.48 -0.20 3.48 3.76 0.25 -4.95 115.29 115.93 2klo s HIS 106 Ca 0.12 -0.60 -0.28 0.00 -0.15 0.00 0.00 55.06 54.15 2klo s HIS 106 Cb -0.05 -0.85 0.00 0.00 1.11 0.00 0.00 32.58 32.79 2klo s HIS 106 CO 0.04 -0.60 0.98 0.50 -0.85 0.00 0.00 174.74 174.81 2klo s ARG 107 N 2.04 4.28 0.16 1.40 3.00 -1.26 -1.19 118.95 127.38 2klo s ARG 107 Ca 0.03 1.27 0.09 0.00 -1.00 0.00 0.00 55.73 56.12 2klo s ARG 107 Cb -0.16 -3.61 -0.04 0.00 0.00 0.00 0.00 34.95 31.13 2klo s ARG 107 CO -0.14 -0.52 -0.14 0.42 0.00 0.00 0.00 175.30 174.92 2klo s ILE 108 N 2.81 2.99 0.30 4.11 -1.09 0.03 -4.97 121.20 125.38 2klo s ILE 108 Ca 0.43 -1.64 0.30 0.00 -2.23 0.00 0.00 60.65 57.51 2klo s ILE 108 Cb -0.16 -2.44 0.30 0.00 -1.58 0.00 0.00 42.46 38.58 2klo s ILE 108 CO 0.09 -0.04 1.91 0.08 -1.23 0.00 0.00 174.94 175.76 2klo h ARG 109 N 3.23 0.00 0.05 2.79 0.11 -2.03 -1.17 114.38 117.36 2klo h ARG 109 Ca -0.48 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.27 2klo h ARG 109 Cb 1.19 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.23 2klo h ARG 109 CO 0.51 0.00 -1.92 -2.37 0.10 0.00 0.00 179.97 176.28 2klo n THR 110 N -2.64 1.65 0.00 0.08 5.66 -1.26 -5.07 114.28 112.71 2klo n THR 110 Ca -0.02 -0.73 0.00 0.00 -3.05 0.00 0.00 64.05 60.25 2klo n THR 110 Cb 0.15 -1.28 0.00 0.00 -1.55 0.00 0.00 70.33 67.65 2klo n THR 110 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2klo n ASP 111 N -3.20 0.00 -4.85 1.09 -0.08 -0.44 -5.16 116.55 103.90 2klo n ASP 111 Ca -0.26 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 52.66 2klo n ASP 111 Cb 1.06 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.46 2klo n ASP 111 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2klo s THR 112 N -2.00 5.09 0.23 5.18 2.01 -1.26 -0.79 115.64 124.10 2klo s THR 112 Ca 0.00 0.60 0.04 0.00 0.31 0.00 0.00 61.69 62.64 2klo s THR 112 Cb 0.00 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 2klo s THR 112 CO 0.00 0.43 -0.00 -0.31 -0.69 0.00 0.00 174.62 174.05 2klo s TYR 113 N -1.24 1.56 0.20 4.92 1.51 -0.34 -0.88 117.35 123.08 2klo s TYR 113 Ca 0.28 -0.92 0.08 0.00 -1.01 0.00 0.00 57.07 55.50 2klo s TYR 113 Cb -0.15 -0.91 -0.05 0.00 -0.11 0.00 0.00 41.96 40.75 2klo s TYR 113 CO 0.15 -0.04 -0.16 0.08 -1.11 0.00 0.00 175.55 174.47 2klo s VAL 114 N -3.42 1.81 0.06 0.71 1.01 0.32 -0.59 120.40 120.30 2klo s VAL 114 Ca 0.28 -2.15 0.03 0.00 0.00 0.00 0.00 61.98 60.15 2klo s VAL 114 Cb 0.06 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 2klo s VAL 114 CO 0.09 -0.51 -0.09 -0.54 0.00 0.00 0.00 175.10 174.05 2klo s LYS 115 N -3.41 0.67 -0.15 2.72 1.02 0.28 -2.15 119.74 118.72 2klo s LYS 115 Ca 0.21 -0.93 -0.08 0.00 0.02 0.00 0.00 55.97 55.19 2klo s LYS 115 Cb -0.02 -0.42 0.05 0.00 -0.52 0.00 0.00 37.83 36.92 2klo s LYS 115 CO 0.07 0.07 0.36 -1.17 -0.92 0.00 0.00 175.35 173.77 2klo s LEU 116 N -1.92 0.09 -0.74 3.17 2.96 -0.89 -2.36 118.68 118.99 2klo s LEU 116 Ca -0.04 0.78 -0.23 0.00 -0.22 0.00 0.00 54.13 54.43 2klo s LEU 116 Cb -0.07 1.17 0.07 0.00 0.50 0.00 0.00 46.19 47.87 2klo s LEU 116 CO 0.00 -0.18 1.07 -1.81 -1.32 0.00 0.00 176.35 174.11 2klo s ASP 117 N 1.28 6.26 0.22 3.68 1.01 -1.20 -4.78 116.67 123.14 2klo s ASP 117 Ca -0.09 -1.11 0.24 0.00 0.71 0.00 0.00 52.55 52.30 2klo s ASP 117 Cb -0.09 -2.45 0.92 0.00 1.01 0.00 0.00 42.92 42.32 2klo s ASP 117 CO -0.11 -1.45 1.71 0.29 0.21 0.00 0.00 175.17 175.83 2klo n LYS 118 N 7.85 0.19 0.13 8.23 5.02 -1.26 -3.01 118.16 135.30 2klo n LYS 118 Ca 0.04 0.35 -0.00 0.00 -2.02 0.00 0.00 58.31 56.68 2klo n LYS 118 Cb 0.47 -1.81 0.28 0.00 -0.02 0.00 0.00 35.03 33.94 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 2.37 1.22 -2.51 7.82 0.00 -2.02 -3.45 119.26 122.69 2klo h ALA 119 Ca 0.00 -0.38 -0.53 0.00 0.00 0.00 0.00 54.91 54.01 2klo h ALA 119 Cb 0.44 -0.08 0.04 0.00 0.00 0.00 0.00 17.79 18.19 2klo h ALA 119 CO 0.00 0.54 1.10 0.08 0.00 0.00 0.00 179.25 180.97 2klo s VAL 120 N -4.19 2.54 -0.38 0.00 1.01 -1.16 -4.93 120.40 113.29 2klo s VAL 120 Ca -0.04 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 2klo s VAL 120 Cb 0.14 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.48 2klo s VAL 120 CO 0.75 0.00 1.31 -0.62 0.00 0.00 0.00 175.10 176.54 2klo s ASP 121 N 2.62 6.54 0.50 3.32 2.15 -1.26 -4.89 116.67 125.64 2klo s ASP 121 Ca 0.80 0.92 0.34 0.00 0.43 0.00 0.00 52.55 55.04 2klo s ASP 121 Cb -0.46 -2.54 1.47 0.00 -0.30 0.00 0.00 42.92 41.09 2klo s ASP 121 CO 0.36 -1.24 1.73 0.25 -0.17 0.00 0.00 175.17 176.10 2klo h LEU 122 N 11.44 0.14 -0.56 -1.34 7.12 -1.95 -2.14 115.31 128.02 2klo h LEU 122 Ca -0.26 0.04 0.11 0.00 0.13 0.00 0.00 57.88 57.90 2klo h LEU 122 Cb 1.09 0.02 -0.10 0.00 -0.53 0.00 0.00 40.66 41.14 2klo h LEU 122 CO 1.07 -0.01 -0.12 0.00 -0.13 0.00 0.00 178.44 179.25 2klo h ALA 123 N 1.42 0.40 0.00 1.25 0.00 -1.99 0.17 119.26 120.50 2klo h ALA 123 Ca 0.67 0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.73 2klo h ALA 123 Cb 2.39 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 20.57 2klo h ALA 123 CO -0.14 -0.43 -0.31 0.78 0.00 0.00 0.00 179.25 179.16 2klo h GLY 124 N 0.02 0.00 0.30 0.00 0.00 -1.80 -2.19 103.07 99.40 2klo h GLY 124 Ca 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 2klo h GLY 124 CO -0.56 0.00 -0.01 1.41 0.00 0.00 0.00 176.54 177.38 2klo h LEU 125 N 0.00 -0.02 -1.29 3.11 3.38 -1.10 -2.40 115.31 116.99 2klo h LEU 125 Ca -0.00 -0.66 0.18 0.00 0.09 0.00 0.00 57.88 57.49 2klo h LEU 125 Cb 0.71 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 2klo h LEU 125 CO 0.04 0.67 0.60 0.74 0.09 0.00 0.00 178.44 180.58 2klo h THR 126 N -0.73 0.73 0.31 0.22 2.02 -0.58 0.18 112.91 115.06 2klo h THR 126 Ca -0.00 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 2klo h THR 126 Cb 0.68 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2klo h THR 126 CO 0.00 0.11 -0.15 0.00 0.37 0.00 0.00 175.52 175.85 2klo h ALA 127 N 1.61 -0.80 -0.13 6.16 0.00 -1.38 -0.73 119.26 124.00 2klo h ALA 127 Ca 0.50 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.36 2klo h ALA 127 Cb 0.97 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2klo h ALA 127 CO -0.25 -0.77 0.12 0.07 0.00 0.00 0.00 179.25 178.42 2klo h ARG 128 N -0.56 0.00 0.16 0.00 0.11 -1.13 -1.42 114.38 111.55 2klo h ARG 128 Ca -0.04 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.03 2klo h ARG 128 Cb 0.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.40 2klo h ARG 128 CO 0.07 0.00 -0.08 1.25 0.10 0.00 0.00 179.97 181.31 2klo h LEU 129 N 0.00 -0.19 -0.97 0.08 6.46 -0.66 -3.23 115.31 116.80 2klo h LEU 129 Ca 0.06 -0.34 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 2klo h LEU 129 Cb 0.30 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 2klo h LEU 129 CO -0.00 0.31 0.00 0.00 -0.62 0.00 0.00 178.44 178.13 2klo n ALA 130 N -2.49 1.32 -0.34 1.25 0.00 -0.28 -3.46 120.51 116.50 2klo n ALA 130 Ca -0.08 0.13 0.15 0.00 0.00 0.00 0.00 53.44 53.64 2klo n ALA 130 Cb 0.26 -1.32 0.36 0.00 0.00 0.00 0.00 19.45 18.76 2klo n ALA 130 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2klo h HIS 131 N 0.00 1.00 -6.46 0.00 2.07 -1.31 -3.45 115.15 107.00 2klo h HIS 131 Ca 0.00 0.03 -0.47 0.00 -2.85 0.00 0.00 60.37 57.08 2klo h HIS 131 Cb 0.16 -0.30 -0.24 0.00 2.57 0.00 0.00 27.41 29.61 2klo h HIS 131 CO 0.00 0.17 -0.69 0.72 -3.07 0.00 0.00 177.93 175.06 2klo n HIS 132 N -4.78 -1.53 0.00 6.12 8.25 -1.22 -4.90 115.22 117.16 2klo n HIS 132 Ca 0.24 0.57 0.00 0.00 -0.26 0.00 0.00 57.72 58.27 2klo n HIS 132 Cb 0.65 -2.16 0.00 0.00 1.12 0.00 0.00 29.99 29.60 2klo n HIS 132 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2klo n VAL 133 N -3.87 0.00 1.02 1.59 0.31 -1.26 -4.44 118.33 111.68 2klo n VAL 133 Ca 0.07 0.76 0.12 0.00 -0.01 0.00 0.00 64.34 65.28 2klo n VAL 133 Cb 0.48 -1.76 0.21 0.00 -0.91 0.00 0.00 33.84 31.86 2klo n VAL 133 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2klo n HIS 134 N -2.00 0.07 -2.07 3.52 -0.00 -1.26 -4.97 115.22 108.51 2klo n HIS 134 Ca 0.00 -0.04 -0.26 0.00 -0.00 0.00 0.00 57.72 57.43 2klo n HIS 134 Cb 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 29.99 30.16 2klo n HIS 134 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2klo n ALA 135 N 1.10 -0.95 0.00 1.59 0.00 -1.26 -5.05 120.51 115.94 2klo n ALA 135 Ca 0.16 -1.67 0.00 0.00 0.00 0.00 0.00 53.44 51.93 2klo n ALA 135 Cb 0.54 0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2klo n ALA 135 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2klo n GLU 136 N -3.35 4.22 -0.73 0.00 0.28 -1.26 -5.03 120.64 114.77 2klo n GLU 136 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 2klo n GLU 136 Cb 0.54 -0.49 0.00 0.00 1.43 0.00 0.00 31.44 32.92 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 0.14 -0.28 0.00 -1.84 0.00 -1.26 -5.22 105.19 96.73 2klo n GLY 137 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2klo n GLY 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36