#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 1.33 -1.66 0.55 0.00 -1.26 -4.89 121.76 115.83 2klo s ALA 2 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.22 2klo s ALA 2 Cb 0.00 1.25 0.00 0.00 0.00 0.00 0.00 23.12 24.37 2klo s ALA 2 CO 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 175.76 175.22 2klo n ALA 3 N -0.32 -0.24 -2.95 0.00 0.00 -1.26 -4.86 120.51 110.88 2klo n ALA 3 Ca 0.01 0.25 -0.10 0.00 0.00 0.00 0.00 53.44 53.60 2klo n ALA 3 Cb 0.66 -1.62 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 2klo n ALA 3 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2klo s SER 4 N -2.34 -0.63 0.91 0.00 1.04 -1.26 -5.16 113.70 106.26 2klo s SER 4 Ca 0.00 -2.08 -0.12 0.00 0.48 0.00 0.00 55.95 54.23 2klo s SER 4 Cb 0.00 1.24 0.14 0.00 0.10 0.00 0.00 66.02 67.50 2klo s SER 4 CO 0.00 -0.09 1.10 -2.16 0.98 0.00 0.00 173.24 173.07 2klo s PRO 5 N 0.68 1.16 -0.72 4.02 0.04 -1.26 -4.93 135.00 134.00 2klo s PRO 5 Ca 0.30 0.59 -0.26 0.00 0.04 0.00 0.00 61.00 61.68 2klo s PRO 5 Cb 0.01 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 2klo s PRO 5 CO -0.09 -2.25 1.97 -1.12 0.04 0.00 0.00 177.00 175.55 2klo s SER 6 N -3.65 5.07 0.18 6.66 0.01 -1.26 -4.90 113.70 115.82 2klo s SER 6 Ca 0.63 0.02 -0.07 0.00 1.31 0.00 0.00 55.95 57.84 2klo s SER 6 Cb -0.17 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.51 2klo s SER 6 CO 0.56 -2.64 0.27 0.00 0.41 0.00 0.00 173.24 171.84 2klo s ALA 7 N 10.03 0.27 0.35 1.44 0.00 -1.26 -5.19 121.76 127.41 2klo s ALA 7 Ca 0.72 -1.11 0.04 0.00 0.00 0.00 0.00 51.96 51.62 2klo s ALA 7 Cb -0.11 1.00 -0.06 0.00 0.00 0.00 0.00 23.12 23.95 2klo s ALA 7 CO 0.13 -0.66 0.05 -0.48 0.00 0.00 0.00 175.76 174.80 2klo s LEU 8 N -3.02 2.32 0.14 0.00 2.34 -1.26 -5.18 118.68 114.02 2klo s LEU 8 Ca 0.23 -1.40 -0.16 0.00 0.06 0.00 0.00 54.13 52.85 2klo s LEU 8 Cb 0.04 -0.49 0.03 0.00 -0.56 0.00 0.00 46.19 45.21 2klo s LEU 8 CO 0.04 -0.60 0.43 -0.75 -1.06 0.00 0.00 176.35 174.41 2klo s LYS 9 N -3.84 1.14 -0.06 1.48 2.47 -1.26 -5.06 119.74 114.60 2klo s LYS 9 Ca 0.34 -0.74 0.09 0.00 -1.56 0.00 0.00 55.97 54.11 2klo s LYS 9 Cb 0.08 0.48 0.14 0.00 -1.46 0.00 0.00 37.83 37.08 2klo s LYS 9 CO 0.16 -0.46 1.03 0.41 0.16 0.00 0.00 175.35 176.65 2klo n GLY 10 N -0.26 2.99 3.56 5.54 0.00 -1.26 -5.04 105.19 110.72 2klo n GLY 10 Ca -0.15 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.67 0.00 -1.24 1.61 0.11 -1.26 -5.07 120.40 112.88 2klo s VAL 11 Ca 0.16 -1.46 0.11 0.00 -2.93 0.00 0.00 61.98 57.86 2klo s VAL 11 Cb 0.14 -2.30 0.05 0.00 -1.53 0.00 0.00 36.38 32.74 2klo s VAL 11 CO 0.01 0.00 0.77 -1.54 -3.33 0.00 0.00 175.10 171.02 2klo n SER 12 N -0.53 1.63 0.07 3.54 3.41 -1.26 -4.74 113.62 115.75 2klo n SER 12 Ca -0.01 -1.32 -0.12 0.00 -0.26 0.00 0.00 58.87 57.17 2klo n SER 12 Cb 0.62 0.23 -0.07 0.00 -0.26 0.00 0.00 64.21 64.73 2klo n SER 12 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2klo h GLN 13 N 1.77 -0.50 0.00 4.33 4.15 -1.98 0.14 115.11 123.01 2klo h GLN 13 Ca 0.00 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2klo h GLN 13 Cb 0.43 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.24 2klo h GLN 13 CO 0.00 -0.33 0.00 0.00 -1.93 0.00 0.00 178.83 176.57 2klo n ALA 14 N -2.80 1.52 -0.12 3.38 0.00 -1.26 -2.17 120.51 119.06 2klo n ALA 14 Ca -0.06 -0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.13 2klo n ALA 14 Cb 0.29 -1.22 -0.10 0.00 0.00 0.00 0.00 19.45 18.42 2klo n ALA 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2klo n LEU 15 N -1.64 1.90 0.25 0.00 7.99 -0.78 -4.32 117.00 120.40 2klo n LEU 15 Ca 0.02 0.40 0.08 0.00 -0.01 0.00 0.00 56.01 56.50 2klo n LEU 15 Cb 0.14 -0.90 0.62 0.00 -0.11 0.00 0.00 43.42 43.17 2klo n LEU 15 CO 0.12 0.36 1.02 -0.07 -1.51 0.00 0.00 177.39 177.31 2klo h LEU 16 N -1.00 0.00 -1.35 2.23 3.38 -0.65 -1.81 115.31 116.12 2klo h LEU 16 Ca -0.47 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 2klo h LEU 16 Cb 1.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 2klo h LEU 16 CO -0.28 0.06 -0.11 1.05 0.09 0.00 0.00 178.44 179.24 2klo h GLU 17 N 0.00 0.00 -0.00 1.13 4.11 -1.64 -3.13 114.58 115.05 2klo h GLU 17 Ca -0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 2klo h GLU 17 Cb 0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2klo h GLU 17 CO 0.01 0.11 -0.68 0.00 0.07 0.00 0.00 179.01 178.53 2klo h ARG 18 N 0.00 0.01 -0.88 1.06 3.08 -1.51 -3.34 114.38 112.80 2klo h ARG 18 Ca -0.00 -0.01 0.23 0.00 0.07 0.00 0.00 59.98 60.27 2klo h ARG 18 Cb 0.60 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.52 2klo h ARG 18 CO 0.01 0.68 0.32 0.82 -1.07 0.00 0.00 179.97 180.74 2klo h ILE 19 N 0.01 0.39 -0.93 2.04 1.08 -1.64 0.82 117.51 119.28 2klo h ILE 19 Ca -0.01 -0.10 0.11 0.00 -0.39 0.00 0.00 64.86 64.47 2klo h ILE 19 Cb 1.20 0.07 -0.07 0.00 -3.07 0.00 0.00 36.82 34.94 2klo h ILE 19 CO 0.09 0.05 0.60 -0.09 -0.69 0.00 0.00 178.15 178.11 2klo h ARG 20 N 0.30 0.88 0.00 2.37 1.12 -1.80 -0.06 114.38 117.19 2klo h ARG 20 Ca 0.56 -0.05 -0.19 0.00 -1.11 0.00 0.00 59.98 59.19 2klo h ARG 20 Cb 1.10 -0.20 -0.03 0.00 -0.01 0.00 0.00 29.97 30.84 2klo h ARG 20 CO -0.59 0.58 -0.89 0.00 -3.11 0.00 0.00 179.97 175.96 2klo h ALA 21 N 1.55 0.46 0.00 2.80 0.00 -1.13 -3.16 119.26 119.78 2klo h ALA 21 Ca 0.45 -0.81 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 2klo h ALA 21 Cb 0.47 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2klo h ALA 21 CO -0.21 1.11 -0.13 0.87 0.00 0.00 0.00 179.25 180.89 2klo h LYS 22 N 0.00 0.00 0.01 0.00 1.79 0.09 -2.12 116.57 116.34 2klo h LYS 22 Ca -0.01 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.17 2klo h LYS 22 Cb 1.65 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 32.25 2klo h LYS 22 CO 0.12 0.13 -1.70 0.93 -1.08 0.00 0.00 179.45 177.85 2klo h GLU 23 N 0.00 0.01 -0.17 3.15 5.08 -1.52 -3.37 114.58 117.75 2klo h GLU 23 Ca -0.00 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 2klo h GLU 23 Cb 0.27 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2klo h GLU 23 CO 0.02 0.53 -0.44 -0.24 -1.00 0.00 0.00 179.01 177.88 2klo h VAL 24 N 0.00 1.31 0.00 3.13 3.04 -1.41 -2.95 116.25 119.38 2klo h VAL 24 Ca -0.28 -1.62 0.00 0.00 -1.01 0.00 0.00 66.70 63.79 2klo h VAL 24 Cb 2.01 1.66 0.00 0.00 -2.01 0.00 0.00 31.29 32.95 2klo h VAL 24 CO 0.08 0.50 0.00 0.00 -1.01 0.00 0.00 177.57 177.14 2klo n GLN 25 N -4.01 0.11 0.09 4.17 10.64 -0.84 -2.06 117.38 125.49 2klo n GLN 25 Ca -0.02 0.59 0.11 0.00 -1.83 0.00 0.00 57.00 55.86 2klo n GLN 25 Cb 0.52 -1.86 0.60 0.00 -0.86 0.00 0.00 30.24 28.64 2klo n GLN 25 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 2klo h LYS 26 N 0.00 0.15 -0.07 2.61 3.11 -1.73 -1.61 116.57 119.03 2klo h LYS 26 Ca 0.00 -0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.85 2klo h LYS 26 Cb 0.03 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.22 2klo h LYS 26 CO 0.00 0.10 0.08 1.96 -2.81 0.00 0.00 179.45 178.78 2klo h GLN 27 N 0.16 0.00 0.00 1.90 4.20 -1.66 -1.02 115.11 118.69 2klo h GLN 27 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2klo h GLN 27 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2klo h GLN 27 CO -0.02 0.00 -0.63 1.28 -0.67 0.00 0.00 178.83 178.79 2klo n LEU 28 N -3.75 0.58 -4.51 1.46 4.32 -0.61 -4.90 117.00 109.60 2klo n LEU 28 Ca -0.01 0.04 -0.46 0.00 -0.02 0.00 0.00 56.01 55.56 2klo n LEU 28 Cb 0.18 -0.20 -0.06 0.00 -1.62 0.00 0.00 43.42 41.72 2klo n LEU 28 CO 0.26 0.07 1.86 0.00 -1.22 0.00 0.00 177.39 178.37 2klo n ALA 29 N -1.64 1.25 -3.67 -1.18 0.00 -0.39 -4.94 120.51 109.94 2klo n ALA 29 Ca 0.04 -0.22 -0.26 0.00 0.00 0.00 0.00 53.44 53.00 2klo n ALA 29 Cb 0.38 -2.73 -0.17 0.00 0.00 0.00 0.00 19.45 16.93 2klo n ALA 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2klo s ARG 30 N 6.60 1.75 0.00 0.00 3.52 -1.26 -4.78 118.95 124.77 2klo s ARG 30 Ca 1.07 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 56.28 2klo s ARG 30 Cb -0.63 -1.58 0.00 0.00 -1.56 0.00 0.00 34.95 31.18 2klo s ARG 30 CO 0.42 -0.10 0.00 -1.33 -0.81 0.00 0.00 175.30 173.48 2klo n MET 31 N 4.31 -1.66 -4.03 5.12 2.81 -1.26 -4.94 117.12 117.47 2klo n MET 31 Ca -0.18 0.41 -0.26 0.00 -1.81 0.00 0.00 57.70 55.86 2klo n MET 31 Cb 0.51 -4.87 -0.04 0.00 -0.71 0.00 0.00 33.22 28.10 2klo n MET 31 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 2klo s THR 32 N -1.03 2.01 0.00 2.03 -1.32 -1.26 -5.00 115.64 111.07 2klo s THR 32 Ca 0.00 -1.61 0.00 0.00 -1.21 0.00 0.00 61.69 58.87 2klo s THR 32 Cb 0.00 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.37 2klo s THR 32 CO 0.00 0.00 0.00 0.54 -2.21 0.00 0.00 174.62 172.95 2klo n ARG 33 N -1.47 0.00 0.03 7.08 1.74 -1.26 -5.06 116.66 117.73 2klo n ARG 33 Ca -0.02 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 2klo n ARG 33 Cb 0.64 -0.66 0.00 0.00 -1.02 0.00 0.00 32.46 31.42 2klo n ARG 33 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2klo n PRO 35 N -2.64 0.05 0.31 0.00 -0.04 -1.26 -2.50 135.00 128.91 2klo n PRO 35 Ca 0.00 0.44 0.19 0.00 -0.04 0.00 0.00 63.50 64.09 2klo n PRO 35 Cb 0.00 -1.64 0.97 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.67 0.54 5.08 -2.02 -1.99 114.58 115.52 2klo h GLU 36 Ca 0.00 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.53 2klo h GLU 36 Cb 0.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2klo h GLU 36 CO 0.00 0.00 0.47 1.96 -1.00 0.00 0.00 179.01 180.44 2klo h GLN 37 N 0.00 0.15 -0.96 2.33 4.20 -1.91 -1.63 115.11 117.30 2klo h GLN 37 Ca 0.02 -0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.82 2klo h GLN 37 Cb 0.40 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.07 2klo h GLN 37 CO -0.00 0.10 0.61 1.05 -0.67 0.00 0.00 178.83 179.93 2klo h GLU 38 N 0.16 0.97 0.00 1.46 4.11 -1.65 -0.59 114.58 119.04 2klo h GLU 38 Ca 0.32 -0.06 -0.13 0.00 0.07 0.00 0.00 59.36 59.57 2klo h GLU 38 Cb 1.05 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 2klo h GLU 38 CO -0.05 0.64 -0.62 1.25 0.07 0.00 0.00 179.01 180.31 2klo h LEU 39 N 1.00 0.00 -0.34 3.06 5.85 -1.52 -1.63 115.31 121.73 2klo h LEU 39 Ca 0.44 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.15 2klo h LEU 39 Cb 0.36 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2klo h LEU 39 CO -0.20 0.62 0.14 0.03 -0.34 0.00 0.00 178.44 178.69 2klo h ARG 40 N 0.00 0.50 0.17 1.25 -0.00 -1.10 -0.74 114.38 114.46 2klo h ARG 40 Ca -0.01 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.98 59.38 2klo h ARG 40 Cb 1.12 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 31.01 2klo h ARG 40 CO 0.08 0.48 -0.08 -0.07 0.00 0.00 0.00 179.97 180.38 2klo h LEU 41 N 0.40 -0.20 -2.53 3.04 3.38 -1.36 -0.10 115.31 117.94 2klo h LEU 41 Ca 0.11 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2klo h LEU 41 Cb 0.16 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2klo h LEU 41 CO -0.01 -0.05 0.12 -0.61 0.09 0.00 0.00 178.44 177.97 2klo h GLN 42 N -0.33 0.00 0.11 1.13 5.75 -1.11 -1.41 115.11 119.25 2klo h GLN 42 Ca -0.02 0.00 -0.37 0.00 -0.15 0.00 0.00 58.65 58.11 2klo h GLN 42 Cb 0.25 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 2klo h GLN 42 CO 0.04 0.00 -2.04 0.54 -2.65 0.00 0.00 178.83 174.71 2klo n ARG 43 N -3.33 0.75 -0.20 1.69 5.12 -0.30 -4.28 116.66 116.12 2klo n ARG 43 Ca -0.02 0.25 0.03 0.00 -1.93 0.00 0.00 57.85 56.19 2klo n ARG 43 Cb 0.20 -1.69 0.30 0.00 -1.16 0.00 0.00 32.46 30.10 2klo n ARG 43 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2klo h LEU 44 N 0.06 0.77 -2.41 0.55 3.38 0.04 -2.09 115.31 115.61 2klo h LEU 44 Ca -0.44 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2klo h LEU 44 Cb 2.02 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.60 2klo h LEU 44 CO 0.07 0.53 0.17 1.05 0.09 0.00 0.00 178.44 180.35 2klo h GLU 45 N 0.89 0.00 -0.02 1.13 -0.00 -1.59 -0.62 114.58 114.37 2klo h GLU 45 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.65 2klo h GLU 45 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.81 2klo h GLU 45 CO -0.08 0.00 0.00 0.54 -0.00 0.00 0.00 179.01 179.47 2klo n ARG 46 N -2.93 1.11 -0.04 1.06 1.74 -0.79 -4.24 116.66 112.57 2klo n ARG 46 Ca -0.02 -0.16 -0.12 0.00 -0.77 0.00 0.00 57.85 56.77 2klo n ARG 46 Cb 0.23 -1.37 -0.07 0.00 -1.02 0.00 0.00 32.46 30.23 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 0.35 -1.46 -1.39 0.55 3.38 -1.30 0.59 115.31 116.02 2klo h LEU 47 Ca 0.00 0.19 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 2klo h LEU 47 Cb 0.08 0.60 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2klo h LEU 47 CO 0.00 -0.43 -0.30 1.55 0.09 0.00 0.00 178.44 179.35 2klo h PRO 48 N -0.47 0.00 0.95 1.13 0.13 -1.86 -2.70 132.00 129.18 2klo h PRO 48 Ca 0.08 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.16 2klo h PRO 48 Cb 0.63 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.77 2klo h PRO 48 CO -0.46 0.30 -0.46 1.49 -0.23 0.00 0.00 178.00 178.64 2klo h GLU 49 N 0.00 -1.24 -0.07 0.86 4.22 -1.38 -1.25 114.58 115.72 2klo h GLU 49 Ca -0.00 0.08 0.02 0.00 0.08 0.00 0.00 59.36 59.54 2klo h GLU 49 Cb 0.57 0.28 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 2klo h GLU 49 CO 0.04 -0.82 -0.03 -0.07 -2.18 0.00 0.00 179.01 175.95 2klo h LEU 50 N -1.28 -0.09 -0.35 1.64 -0.00 -0.95 -1.82 115.31 112.45 2klo h LEU 50 Ca -0.13 0.02 0.08 0.00 -0.00 0.00 0.00 57.88 57.85 2klo h LEU 50 Cb 0.98 0.05 -0.08 0.00 -0.00 0.00 0.00 40.66 41.62 2klo h LEU 50 CO 0.21 -0.04 -0.18 0.00 -0.00 0.00 0.00 178.44 178.44 2klo h ALA 51 N 1.05 0.09 -0.48 1.53 0.00 -1.48 -0.27 119.26 119.70 2klo h ALA 51 Ca 0.04 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.11 2klo h ALA 51 Cb 0.07 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2klo h ALA 51 CO -0.08 -0.56 0.25 0.00 0.00 0.00 0.00 179.25 178.86 2klo h ARG 52 N -0.12 0.47 -0.33 0.00 3.08 -0.93 -2.67 114.38 113.89 2klo h ARG 52 Ca 0.18 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 2klo h ARG 52 Cb 0.39 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2klo h ARG 52 CO -0.43 0.31 0.12 0.28 -1.07 0.00 0.00 179.97 179.18 2klo h VAL 53 N 0.49 1.20 -0.32 2.04 2.07 -0.51 -2.46 116.25 118.75 2klo h VAL 53 Ca 0.21 -0.62 0.06 0.00 0.82 0.00 0.00 66.70 67.16 2klo h VAL 53 Cb 0.11 0.99 -0.08 0.00 -1.52 0.00 0.00 31.29 30.79 2klo h VAL 53 CO -0.14 0.22 -0.44 0.25 0.02 0.00 0.00 177.57 177.47 2klo h LEU 54 N 0.38 -1.45 -1.14 2.57 6.46 -0.76 0.02 115.31 121.40 2klo h LEU 54 Ca 0.11 0.21 0.01 0.00 -0.12 0.00 0.00 57.88 58.09 2klo h LEU 54 Cb 0.22 0.61 -0.04 0.00 -0.73 0.00 0.00 40.66 40.72 2klo h LEU 54 CO -0.01 -0.39 0.58 0.08 -0.62 0.00 0.00 178.44 178.08 2klo h ARG 55 N -0.39 1.15 -0.60 1.25 0.11 -1.48 -1.53 114.38 112.89 2klo h ARG 55 Ca 0.11 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 60.13 2klo h ARG 55 Cb 0.60 -0.26 -0.03 0.00 1.11 0.00 0.00 29.97 31.39 2klo h ARG 55 CO -0.52 0.76 0.39 -0.91 0.10 0.00 0.00 179.97 179.78 2klo h ASN 56 N 1.18 0.69 -0.37 0.08 2.35 -0.57 -0.41 115.58 118.52 2klo h ASN 56 Ca 0.32 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.99 2klo h ASN 56 Cb -0.13 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.05 2klo h ASN 56 CO -0.07 0.51 0.01 0.58 -1.65 0.00 0.00 177.43 176.81 2klo h VAL 57 N 0.81 1.26 -0.34 2.81 2.07 -0.53 -1.85 116.25 120.47 2klo h VAL 57 Ca 0.22 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 2klo h VAL 57 Cb -0.08 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2klo h VAL 57 CO -0.05 0.33 0.21 -0.26 0.02 0.00 0.00 177.57 177.82 2klo h PHE 58 N 0.48 0.44 0.00 1.57 -1.00 -0.91 0.69 116.94 118.21 2klo h PHE 58 Ca 0.11 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.84 2klo h PHE 58 Cb 0.45 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 2klo h PHE 58 CO 0.04 0.31 -0.22 -0.24 -1.61 0.00 0.00 178.31 176.59 2klo h VAL 59 N 0.44 0.89 -0.04 -0.55 3.04 -1.03 -2.67 116.25 116.32 2klo h VAL 59 Ca 0.12 -0.83 -0.23 0.00 -1.01 0.00 0.00 66.70 64.75 2klo h VAL 59 Cb -0.00 1.48 0.02 0.00 -2.01 0.00 0.00 31.29 30.78 2klo h VAL 59 CO -0.02 0.21 -0.86 -1.28 -1.01 0.00 0.00 177.57 174.61 2klo h SER 60 N 0.00 0.84 0.37 3.17 0.87 -0.45 -3.24 113.55 115.10 2klo h SER 60 Ca -0.00 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 59.85 2klo h SER 60 Cb 0.47 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2klo h SER 60 CO 0.03 1.43 0.00 -0.08 -0.53 0.00 0.00 176.83 177.68 2klo h GLU 61 N 0.32 0.00 -0.00 2.24 4.57 -0.55 -3.46 114.58 117.69 2klo h GLU 61 Ca -0.10 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2klo h GLU 61 Cb 1.52 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.11 2klo h GLU 61 CO 0.17 0.00 -0.00 -2.13 -1.18 0.00 0.00 179.01 175.87 2klo n ARG 62 N -3.00 -1.29 -3.98 1.92 0.63 -1.13 -4.98 116.66 104.84 2klo n ARG 62 Ca -0.01 0.32 -0.20 0.00 -0.92 0.00 0.00 57.85 57.04 2klo n ARG 62 Cb 0.15 -4.29 -0.17 0.00 0.45 0.00 0.00 32.46 28.61 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 -1.29 0.62 0.00 -0.14 -2.85 -1.25 -5.03 119.74 109.80 2klo s LYS 63 Ca 0.00 0.01 0.25 0.00 -1.00 0.00 0.00 55.97 55.23 2klo s LYS 63 Cb 0.00 -0.79 1.10 0.00 -2.06 0.00 0.00 37.83 36.07 2klo s LYS 63 CO 0.00 -0.17 1.80 -0.35 0.10 0.00 0.00 175.35 176.73 2klo n PRO 64 N 4.43 0.07 -5.01 1.78 -0.04 -1.26 -4.69 135.00 130.28 2klo n PRO 64 Ca -0.19 0.07 -0.32 0.00 -0.04 0.00 0.00 63.50 63.02 2klo n PRO 64 Cb 0.50 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.30 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 -2.92 2.21 0.07 0.55 0.00 -1.26 -2.12 121.76 118.30 2klo s ALA 65 Ca 0.14 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.14 2klo s ALA 65 Cb 0.16 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 2klo s ALA 65 CO 0.44 0.17 -0.14 -0.51 0.00 0.00 0.00 175.76 175.72 2klo s LEU 66 N 0.51 2.28 0.58 0.00 2.01 -0.72 -5.00 118.68 118.34 2klo s LEU 66 Ca -0.14 -0.63 -0.16 0.00 0.01 0.00 0.00 54.13 53.21 2klo s LEU 66 Cb -0.17 -0.52 -0.04 0.00 0.01 0.00 0.00 46.19 45.47 2klo s LEU 66 CO 0.05 -0.08 1.04 -0.89 1.01 0.00 0.00 176.35 177.48 2klo s THR 67 N -1.31 3.96 0.20 5.49 2.01 -1.26 -0.68 115.64 124.05 2klo s THR 67 Ca -0.02 0.93 -0.10 0.00 0.31 0.00 0.00 61.69 62.82 2klo s THR 67 Cb -0.10 -3.45 0.13 0.00 0.01 0.00 0.00 72.50 69.09 2klo s THR 67 CO 0.02 -0.55 1.77 -0.03 -0.69 0.00 0.00 174.62 175.15 2klo h MET 68 N 0.53 0.51 -0.55 4.92 4.05 -1.37 -1.34 114.93 121.68 2klo h MET 68 Ca -0.47 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 58.92 2klo h MET 68 Cb 1.21 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.87 2klo h MET 68 CO 0.58 0.34 0.33 1.49 0.23 0.00 0.00 176.91 179.88 2klo h GLU 69 N 0.52 0.74 0.32 0.39 4.81 -1.93 0.23 114.58 119.68 2klo h GLU 69 Ca 0.29 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 2klo h GLU 69 Cb 0.27 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2klo h GLU 69 CO -0.23 0.54 -0.16 0.28 -0.73 0.00 0.00 179.01 178.71 2klo h VAL 70 N 0.74 0.70 0.00 0.32 2.07 -1.80 -2.59 116.25 115.69 2klo h VAL 70 Ca 0.20 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2klo h VAL 70 Cb -0.01 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2klo h VAL 70 CO -0.04 0.07 -0.06 1.62 0.02 0.00 0.00 177.57 179.18 2klo h VAL 71 N -0.62 0.61 0.00 2.57 3.04 -1.09 -2.10 116.25 118.65 2klo h VAL 71 Ca -0.04 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 2klo h VAL 71 Cb 0.45 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.90 2klo h VAL 71 CO 0.07 0.06 0.00 0.00 -1.01 0.00 0.00 177.57 176.70 2klo h ALA 73 N -2.00 2.32 -0.06 0.00 0.00 -1.40 -1.60 119.26 116.52 2klo h ALA 73 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2klo h ALA 73 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2klo h ALA 73 CO 0.00 -0.46 -0.54 0.00 0.00 0.00 0.00 179.25 178.25 2klo h ARG 74 N 0.13 0.16 0.04 0.00 2.47 -1.34 -2.65 114.38 113.19 2klo h ARG 74 Ca 0.25 -0.10 -0.30 0.00 -1.26 0.00 0.00 59.98 58.57 2klo h ARG 74 Cb 0.81 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.11 2klo h ARG 74 CO -0.03 0.66 -1.67 1.98 0.56 0.00 0.00 179.97 181.47 2klo h MET 75 N 0.12 0.09 -0.04 0.04 4.05 -0.34 -3.11 114.93 115.75 2klo h MET 75 Ca 0.00 -0.16 -0.00 0.00 -0.28 0.00 0.00 59.70 59.26 2klo h MET 75 Cb 0.99 0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.85 2klo h MET 75 CO 0.08 0.78 0.02 0.28 0.23 0.00 0.00 176.91 178.30 2klo h VAL 76 N 0.03 1.13 0.00 -5.77 2.07 -1.47 -2.63 116.25 109.61 2klo h VAL 76 Ca -0.28 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2klo h VAL 76 Cb 2.00 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 2klo h VAL 76 CO 0.10 0.10 0.00 -0.78 0.02 0.00 0.00 177.57 177.01 2klo h ASP 77 N -0.09 0.00 0.69 0.57 3.58 -1.61 -2.50 116.42 117.05 2klo h ASP 77 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2klo h ASP 77 Cb 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2klo h ASP 77 CO -0.00 0.00 0.00 0.28 -2.88 0.00 0.00 179.24 176.64 2klo h SER 78 N 0.00 0.00 -2.03 2.28 0.02 -1.39 -3.19 113.55 109.24 2klo h SER 78 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 2klo h SER 78 Cb 0.47 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.60 2klo h SER 78 CO 0.00 0.00 -0.94 0.00 -1.14 0.00 0.00 176.83 174.75 2klo n GLN 80 N 0.00 1.99 0.00 0.00 10.64 -1.21 -4.30 117.38 124.50 2klo n GLN 80 Ca 0.27 -1.09 0.00 0.00 -1.83 0.00 0.00 57.00 54.35 2klo n GLN 80 Cb 0.56 -2.10 0.00 0.00 -0.86 0.00 0.00 30.24 27.84 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 2.91 0.00 -2.68 -0.39 5.66 -1.26 -5.07 114.28 113.46 2klo n THR 81 Ca 0.43 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.37 2klo n THR 81 Cb 0.61 -0.26 0.05 0.00 -1.55 0.00 0.00 70.33 69.18 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 -0.86 -2.54 1.79 0.00 -1.26 -5.16 120.51 109.48 2klo n ALA 82 Ca 0.00 -0.82 -0.26 0.00 0.00 0.00 0.00 53.44 52.36 2klo n ALA 82 Cb 0.00 -1.11 -0.11 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 -2.56 2.70 0.16 0.00 0.05 -1.26 -5.16 118.68 112.61 2klo s LEU 83 Ca 0.12 -1.25 -0.02 0.00 0.05 0.00 0.00 54.13 53.03 2klo s LEU 83 Cb 0.22 -0.89 -0.05 0.00 -2.05 0.00 0.00 46.19 43.43 2klo s LEU 83 CO -0.05 -0.31 0.36 -0.44 -0.55 0.00 0.00 176.35 175.35 2klo s SER 84 N -3.60 6.43 0.51 1.48 0.01 -1.26 -5.02 113.70 112.24 2klo s SER 84 Ca 0.33 0.47 0.25 0.00 1.31 0.00 0.00 55.95 58.30 2klo s SER 84 Cb 0.05 -2.04 1.37 0.00 0.21 0.00 0.00 66.02 65.61 2klo s SER 84 CO 0.16 0.03 2.06 1.55 0.41 0.00 0.00 173.24 177.45 2klo h PRO 85 N 2.52 0.00 -0.55 12.44 0.13 -2.00 -2.76 132.00 141.78 2klo h PRO 85 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 2klo h PRO 85 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2klo h PRO 85 CO 0.71 0.13 0.03 0.78 -0.23 0.00 0.00 178.00 179.42 2klo h GLY 86 N 0.73 0.98 1.75 1.56 0.00 -1.99 -1.97 103.07 104.12 2klo h GLY 86 Ca -0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 47.33 46.63 2klo h GLY 86 CO 0.02 0.61 -0.04 1.05 0.00 0.00 0.00 176.54 178.18 2klo h GLU 87 N 0.85 0.32 0.16 4.80 4.11 -1.91 0.06 114.58 122.97 2klo h GLU 87 Ca 0.17 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.53 2klo h GLU 87 Cb 0.46 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2klo h GLU 87 CO 0.02 0.39 -0.08 1.98 0.07 0.00 0.00 179.01 181.39 2klo h MET 88 N 0.31 -0.21 -0.03 1.06 4.05 -1.51 -1.92 114.93 116.68 2klo h MET 88 Ca 0.07 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.52 2klo h MET 88 Cb 0.28 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.11 2klo h MET 88 CO 0.01 0.11 -0.09 1.49 0.23 0.00 0.00 176.91 178.66 2klo h GLU 89 N -0.54 -0.13 -0.91 0.39 4.81 -1.05 -2.13 114.58 115.02 2klo h GLU 89 Ca -0.02 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.36 2klo h GLU 89 Cb 0.41 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.75 2klo h GLU 89 CO 0.04 -0.09 0.58 0.87 -0.73 0.00 0.00 179.01 179.68 2klo h LYS 90 N -0.14 0.69 -0.49 1.92 1.79 -0.98 -0.65 116.57 118.71 2klo h LYS 90 Ca 0.05 -0.04 -0.13 0.00 -2.18 0.00 0.00 60.65 58.35 2klo h LYS 90 Cb 0.20 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 2klo h LYS 90 CO -0.12 0.46 -0.19 1.25 -1.08 0.00 0.00 179.45 179.77 2klo h HIS 91 N 0.71 1.13 -0.30 -1.35 2.76 -0.70 -1.74 115.15 115.67 2klo h HIS 91 Ca 0.46 -0.27 -0.03 0.00 -2.20 0.00 0.00 60.37 58.33 2klo h HIS 91 Cb 0.73 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 2klo h HIS 91 CO -0.00 1.09 0.04 -0.07 -1.30 0.00 0.00 177.93 177.69 2klo h LEU 92 N 0.85 0.40 0.54 0.26 3.38 -0.72 -0.89 115.31 119.13 2klo h LEU 92 Ca 0.11 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2klo h LEU 92 Cb 0.77 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.42 2klo h LEU 92 CO 0.06 0.43 -0.26 0.58 0.09 0.00 0.00 178.44 179.35 2klo h VAL 93 N 0.43 0.32 -0.45 1.22 2.07 -1.03 -2.64 116.25 116.16 2klo h VAL 93 Ca 0.10 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.31 2klo h VAL 93 Cb 0.22 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 2klo h VAL 93 CO 0.00 0.04 0.11 0.17 0.02 0.00 0.00 177.57 177.91 2klo h LEU 94 N -1.01 0.04 -0.39 2.57 8.10 -1.11 -1.59 115.31 121.92 2klo h LEU 94 Ca -0.07 0.07 -0.02 0.00 0.11 0.00 0.00 57.88 57.97 2klo h LEU 94 Cb 0.63 0.09 -0.02 0.00 -0.44 0.00 0.00 40.66 40.93 2klo h LEU 94 CO 0.12 0.06 0.16 -0.07 -4.11 0.00 0.00 178.44 174.60 2klo h LEU 95 N 0.25 0.54 -1.66 0.17 -0.00 -1.24 -2.48 115.31 110.88 2klo h LEU 95 Ca 0.22 -0.16 -0.04 0.00 -0.00 0.00 0.00 57.88 57.90 2klo h LEU 95 Cb 0.27 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 2klo h LEU 95 CO -0.28 0.55 -0.19 0.00 -0.00 0.00 0.00 178.44 178.53 2klo h ALA 96 N 1.01 1.34 -0.19 1.53 0.00 -1.07 0.55 119.26 122.43 2klo h ALA 96 Ca 0.13 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 2klo h ALA 96 Cb 0.18 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2klo h ALA 96 CO -0.01 0.24 -0.71 1.49 0.00 0.00 0.00 179.25 180.26 2klo h GLU 97 N 0.00 0.80 0.00 0.00 4.57 -0.86 -2.54 114.58 116.54 2klo h GLU 97 Ca -0.00 -0.60 0.00 0.00 -1.18 0.00 0.00 59.36 57.58 2klo h GLU 97 Cb 0.44 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 2klo h GLU 97 CO 0.02 1.22 -0.71 -0.07 -1.18 0.00 0.00 179.01 178.29 2klo h LEU 98 N 0.57 0.00 -5.77 1.64 4.07 -1.32 -3.39 115.31 111.11 2klo h LEU 98 Ca -0.03 -0.11 -0.55 0.00 0.08 0.00 0.00 57.88 57.27 2klo h LEU 98 Cb 1.32 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 42.66 2klo h LEU 98 CO 0.15 0.06 -0.90 0.18 -1.08 0.00 0.00 178.44 176.84 2klo n LEU 99 N -2.41 2.46 0.16 1.67 4.77 0.17 -4.91 117.00 118.91 2klo n LEU 99 Ca 0.02 -5.27 0.12 0.00 -0.03 0.00 0.00 56.01 50.85 2klo n LEU 99 Cb 0.49 0.06 0.56 0.00 -2.33 0.00 0.00 43.42 42.20 2klo n LEU 99 CO 0.37 2.25 0.86 1.55 -1.33 0.00 0.00 177.39 181.10 2klo h PRO 100 N 3.29 0.00 -0.34 3.23 0.13 -1.66 -1.88 132.00 134.76 2klo h PRO 100 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2klo h PRO 100 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2klo h PRO 100 CO 0.66 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.18 2klo n ASP 101 N -2.32 3.10 -0.03 1.44 8.00 -1.26 -4.47 116.55 121.01 2klo n ASP 101 Ca 0.01 -1.94 -0.06 0.00 0.71 0.00 0.00 54.79 53.51 2klo n ASP 101 Cb 0.16 -0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 41.02 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 1.26 0.00 -4.08 1.24 -0.00 -0.73 -4.84 117.44 110.29 2klo n TRP 102 Ca 0.19 0.00 -0.33 0.00 -0.00 0.00 0.00 57.50 57.36 2klo n TRP 102 Cb 0.55 -0.29 -0.07 0.00 -0.00 0.00 0.00 31.31 31.50 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 -7.46 3.93 0.15 5.87 2.96 -1.11 -2.33 118.68 120.69 2klo s LEU 103 Ca -0.16 0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 53.87 2klo s LEU 103 Cb 0.03 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 2klo s LEU 103 CO 0.24 0.27 0.14 -0.55 -1.32 0.00 0.00 176.35 175.13 2klo s SER 104 N -1.76 0.20 -0.02 3.68 0.15 -0.46 -4.66 113.70 110.83 2klo s SER 104 Ca 0.23 -1.11 0.04 0.00 0.70 0.00 0.00 55.95 55.82 2klo s SER 104 Cb -0.12 0.35 -0.01 0.00 -1.71 0.00 0.00 66.02 64.53 2klo s SER 104 CO 0.14 -0.80 -0.14 -0.76 1.20 0.00 0.00 173.24 172.89 2klo s LEU 105 N -3.03 1.98 -0.25 3.45 1.43 -1.26 -2.03 118.68 118.97 2klo s LEU 105 Ca 0.23 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 2klo s LEU 105 Cb 0.06 -0.75 0.11 0.00 0.03 0.00 0.00 46.19 45.64 2klo s LEU 105 CO 0.02 0.16 0.26 -1.00 0.23 0.00 0.00 176.35 176.02 2klo s HIS 106 N -0.22 -0.36 -0.07 0.29 3.76 -0.01 -5.00 115.29 113.68 2klo s HIS 106 Ca 0.03 0.03 -0.25 0.00 -0.15 0.00 0.00 55.06 54.72 2klo s HIS 106 Cb -0.07 -0.41 -0.03 0.00 1.11 0.00 0.00 32.58 33.18 2klo s HIS 106 CO -0.00 -0.76 0.78 0.50 -0.85 0.00 0.00 174.74 174.41 2klo s ARG 107 N 2.34 4.45 0.16 1.40 3.52 -1.26 -0.71 118.95 128.84 2klo s ARG 107 Ca 0.09 1.02 0.08 0.00 -0.13 0.00 0.00 55.73 56.79 2klo s ARG 107 Cb -0.15 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 2klo s ARG 107 CO -0.23 -0.02 -0.18 0.42 -0.81 0.00 0.00 175.30 174.49 2klo s ILE 108 N 1.03 1.74 0.43 4.11 -1.09 -0.05 -4.96 121.20 122.40 2klo s ILE 108 Ca 0.41 -1.89 0.23 0.00 -2.23 0.00 0.00 60.65 57.17 2klo s ILE 108 Cb -0.18 -1.80 0.43 0.00 -1.58 0.00 0.00 42.46 39.33 2klo s ILE 108 CO 0.20 -0.33 1.75 0.08 -1.23 0.00 0.00 174.94 175.40 2klo h ARG 109 N 3.29 0.27 0.04 2.79 0.11 -2.03 0.17 114.38 119.02 2klo h ARG 109 Ca -0.42 -0.02 -0.18 0.00 0.10 0.00 0.00 59.98 59.47 2klo h ARG 109 Cb 1.20 -0.06 0.02 0.00 1.11 0.00 0.00 29.97 32.24 2klo h ARG 109 CO 0.51 0.18 -0.73 0.00 0.10 0.00 0.00 179.97 180.03 2klo h THR 110 N 0.28 1.43 -1.78 0.08 1.03 -2.02 -3.49 112.91 108.43 2klo h THR 110 Ca 0.63 -2.23 0.41 0.00 -0.01 0.00 0.00 66.41 65.22 2klo h THR 110 Cb 1.82 2.73 -0.09 0.00 -1.07 0.00 0.00 68.15 71.54 2klo h THR 110 CO -0.28 0.65 1.02 -0.62 -0.01 0.00 0.00 175.52 176.27 2klo s ASP 111 N -6.89 -0.00 0.15 0.00 -1.08 0.05 -5.17 116.67 103.73 2klo s ASP 111 Ca -0.13 -0.01 -0.15 0.00 -0.52 0.00 0.00 52.55 51.74 2klo s ASP 111 Cb 0.03 0.01 -0.07 0.00 -1.46 0.00 0.00 42.92 41.43 2klo s ASP 111 CO 0.84 -0.02 0.57 -0.89 0.52 0.00 0.00 175.17 176.19 2klo s THR 112 N -2.00 4.82 0.10 1.71 2.01 -1.26 -0.87 115.64 120.15 2klo s THR 112 Ca 0.29 0.90 0.03 0.00 0.31 0.00 0.00 61.69 63.21 2klo s THR 112 Cb 0.02 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 2klo s THR 112 CO -0.04 0.26 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.76 2klo s TYR 113 N -1.45 0.96 0.16 4.92 1.51 0.11 -0.96 117.35 122.60 2klo s TYR 113 Ca 0.38 -0.81 0.11 0.00 -1.01 0.00 0.00 57.07 55.74 2klo s TYR 113 Cb -0.15 -0.54 -0.04 0.00 -0.11 0.00 0.00 41.96 41.12 2klo s TYR 113 CO 0.19 -0.08 -0.23 0.08 -1.11 0.00 0.00 175.55 174.41 2klo s VAL 114 N -3.16 2.47 0.04 0.71 1.01 0.14 -0.83 120.40 120.78 2klo s VAL 114 Ca 0.09 -1.84 0.02 0.00 0.00 0.00 0.00 61.98 60.26 2klo s VAL 114 Cb 0.02 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 2klo s VAL 114 CO -0.03 -0.02 -0.08 -0.54 0.00 0.00 0.00 175.10 174.43 2klo s LYS 115 N -2.42 0.55 0.13 2.72 1.02 -0.86 -1.76 119.74 119.12 2klo s LYS 115 Ca 0.19 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.46 2klo s LYS 115 Cb -0.09 -0.36 -0.04 0.00 -0.52 0.00 0.00 37.83 36.82 2klo s LYS 115 CO 0.09 0.07 0.01 -1.17 -0.92 0.00 0.00 175.35 173.43 2klo s LEU 116 N -1.45 2.06 -0.42 3.17 1.98 -0.90 -1.36 118.68 121.75 2klo s LEU 116 Ca -0.08 -1.15 0.03 0.00 -2.89 0.00 0.00 54.13 50.04 2klo s LEU 116 Cb -0.09 0.13 0.12 0.00 0.66 0.00 0.00 46.19 47.00 2klo s LEU 116 CO 0.01 -0.63 0.16 -1.81 -1.89 0.00 0.00 176.35 172.19 2klo s ASP 117 N -3.07 4.38 0.06 3.68 1.01 -0.98 -4.88 116.67 116.86 2klo s ASP 117 Ca 0.21 -2.52 0.18 0.00 0.71 0.00 0.00 52.55 51.13 2klo s ASP 117 Cb 0.07 -1.49 0.74 0.00 1.01 0.00 0.00 42.92 43.25 2klo s ASP 117 CO 0.00 -0.31 1.55 0.29 0.21 0.00 0.00 175.17 176.92 2klo n LYS 118 N 3.75 0.05 0.14 8.23 5.02 -1.26 -3.14 118.16 130.96 2klo n LYS 118 Ca 0.04 0.28 0.10 0.00 -2.02 0.00 0.00 58.31 56.71 2klo n LYS 118 Cb 0.37 -1.59 0.06 0.00 -0.02 0.00 0.00 35.03 33.84 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 2.47 0.71 -2.76 7.82 0.00 -2.01 -3.47 119.26 122.02 2klo h ALA 119 Ca 0.00 -0.13 -0.51 0.00 0.00 0.00 0.00 54.91 54.27 2klo h ALA 119 Cb 0.30 0.02 0.06 0.00 0.00 0.00 0.00 17.79 18.17 2klo h ALA 119 CO 0.00 0.15 0.53 0.08 0.00 0.00 0.00 179.25 180.01 2klo s VAL 120 N -3.23 3.04 -0.12 0.00 1.01 -1.19 -4.98 120.40 114.93 2klo s VAL 120 Ca 0.02 0.88 -0.29 0.00 0.00 0.00 0.00 61.98 62.59 2klo s VAL 120 Cb 0.08 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 2klo s VAL 120 CO 0.74 0.09 1.08 -0.62 0.00 0.00 0.00 175.10 176.40 2klo s ASP 121 N -1.06 7.14 0.50 3.32 -1.08 -1.26 -4.94 116.67 119.29 2klo s ASP 121 Ca 0.57 1.58 0.25 0.00 -0.52 0.00 0.00 52.55 54.44 2klo s ASP 121 Cb -0.32 -2.55 1.31 0.00 -1.46 0.00 0.00 42.92 39.89 2klo s ASP 121 CO 0.41 -0.56 2.02 0.25 0.52 0.00 0.00 175.17 177.81 2klo h LEU 122 N 8.51 0.00 0.08 -1.34 7.12 -1.97 -3.27 115.31 124.46 2klo h LEU 122 Ca -0.29 0.00 0.02 0.00 0.13 0.00 0.00 57.88 57.74 2klo h LEU 122 Cb 1.13 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.21 2klo h LEU 122 CO 0.90 0.15 -0.47 0.00 -0.13 0.00 0.00 178.44 178.90 2klo h ALA 123 N 1.85 -0.82 -0.51 1.25 0.00 -2.00 0.06 119.26 119.08 2klo h ALA 123 Ca -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2klo h ALA 123 Cb 0.41 0.80 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2klo h ALA 123 CO 0.02 -1.04 0.27 0.78 0.00 0.00 0.00 179.25 179.29 2klo h GLY 124 N -0.67 0.75 0.76 0.00 0.00 -1.99 -1.61 103.07 100.30 2klo h GLY 124 Ca 0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 2klo h GLY 124 CO -0.29 0.31 -0.13 1.41 0.00 0.00 0.00 176.54 177.85 2klo h LEU 125 N 0.71 -0.31 -1.19 3.11 3.38 -1.43 -0.02 115.31 119.56 2klo h LEU 125 Ca 0.18 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2klo h LEU 125 Cb 0.03 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 2klo h LEU 125 CO -0.03 -0.02 0.56 0.74 0.09 0.00 0.00 178.44 179.78 2klo h THR 126 N -0.61 1.15 0.70 0.22 2.02 -0.78 -0.92 112.91 114.69 2klo h THR 126 Ca -0.04 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.74 2klo h THR 126 Cb 0.44 -0.00 0.01 0.00 -1.74 0.00 0.00 68.15 66.85 2klo h THR 126 CO 0.06 0.19 -0.34 0.00 0.37 0.00 0.00 175.52 175.81 2klo h ALA 127 N 1.50 -1.01 -0.73 6.16 0.00 -1.14 -1.87 119.26 122.17 2klo h ALA 127 Ca 0.33 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.11 2klo h ALA 127 Cb 0.00 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2klo h ALA 127 CO -0.09 -0.94 0.48 0.07 0.00 0.00 0.00 179.25 178.77 2klo h ARG 128 N -1.17 0.68 0.84 0.00 0.11 -0.91 -1.46 114.38 112.48 2klo h ARG 128 Ca -0.10 -0.04 -0.04 0.00 0.10 0.00 0.00 59.98 59.90 2klo h ARG 128 Cb 0.72 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.65 2klo h ARG 128 CO 0.16 0.45 -0.45 1.25 0.10 0.00 0.00 179.97 181.48 2klo h LEU 129 N 0.70 -1.10 -1.86 0.08 5.85 -1.14 -3.15 115.31 114.70 2klo h LEU 129 Ca 0.33 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.07 2klo h LEU 129 Cb 0.36 0.30 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 2klo h LEU 129 CO -0.11 -0.73 -0.13 0.00 -0.34 0.00 0.00 178.44 177.12 2klo h ALA 130 N -1.34 1.34 0.00 1.25 0.00 -0.98 -3.19 119.26 116.34 2klo h ALA 130 Ca -0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2klo h ALA 130 Cb 0.93 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2klo h ALA 130 CO 0.16 0.17 0.00 0.72 0.00 0.00 0.00 179.25 180.30 2klo n HIS 131 N -3.74 0.54 -0.93 0.00 8.25 -0.58 -4.89 115.22 113.87 2klo n HIS 131 Ca -0.02 0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 2klo n HIS 131 Cb 0.24 -0.90 0.00 0.00 1.12 0.00 0.00 29.99 30.46 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 -2.02 -0.87 -0.38 4.41 -0.00 -1.21 -4.82 115.22 110.32 2klo n HIS 132 Ca 0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.68 2klo n HIS 132 Cb 0.11 -0.78 -0.01 0.00 -0.00 0.00 0.00 29.99 29.30 2klo n HIS 132 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2klo n VAL 133 N -0.92 -0.56 -0.24 1.59 0.31 -1.26 -1.50 118.33 115.74 2klo n VAL 133 Ca 0.00 2.29 0.04 0.00 -0.01 0.00 0.00 64.34 66.65 2klo n VAL 133 Cb 0.05 -2.95 0.08 0.00 -0.91 0.00 0.00 33.84 30.11 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 -5.34 0.22 -1.68 3.52 -0.00 -1.26 -5.08 115.22 105.61 2klo n HIS 134 Ca 0.07 -0.58 -0.30 0.00 -0.00 0.00 0.00 57.72 56.91 2klo n HIS 134 Cb 0.33 -0.07 0.21 0.00 -0.00 0.00 0.00 29.99 30.46 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 -1.33 1.71 0.04 1.59 0.00 -0.56 -5.03 121.76 118.18 2klo s ALA 135 Ca 0.14 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2klo s ALA 135 Cb 0.09 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.43 2klo s ALA 135 CO 0.06 -2.87 0.00 -0.85 0.00 0.00 0.00 175.76 172.10 2klo n GLU 136 N -4.12 0.00 0.00 0.00 -0.00 -1.26 -5.07 120.64 110.19 2klo n GLU 136 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.32 2klo n GLU 136 Cb 0.59 -0.04 0.00 0.00 -0.00 0.00 0.00 31.44 31.99 2klo n GLU 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2klo n GLY 137 N 1.63 0.11 0.00 -1.84 0.00 -1.26 -5.20 105.19 98.63 2klo n GLY 137 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 46.02 45.53 2klo n GLY 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36