#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 1.22 0.20 0.55 0.00 -1.26 -5.20 121.76 117.28 2klo s ALA 2 Ca 0.00 -1.73 -0.05 0.00 0.00 0.00 0.00 51.96 50.17 2klo s ALA 2 Cb 0.00 1.33 -0.03 0.00 0.00 0.00 0.00 23.12 24.43 2klo s ALA 2 CO 0.00 -0.70 0.24 0.00 0.00 0.00 0.00 175.76 175.31 2klo s ALA 3 N -3.55 0.58 0.64 0.00 0.00 -1.26 -5.17 121.76 113.01 2klo s ALA 3 Ca 0.36 -1.33 -0.13 0.00 0.00 0.00 0.00 51.96 50.85 2klo s ALA 3 Cb 0.02 1.18 -0.01 0.00 0.00 0.00 0.00 23.12 24.31 2klo s ALA 3 CO 0.20 -0.67 1.06 -1.54 0.00 0.00 0.00 175.76 174.81 2klo s SER 4 N -3.08 5.61 1.07 0.00 1.04 -1.26 -5.07 113.70 112.01 2klo s SER 4 Ca 0.30 1.70 -0.17 0.00 0.48 0.00 0.00 55.95 58.26 2klo s SER 4 Cb 0.04 -2.51 0.23 0.00 0.10 0.00 0.00 66.02 63.89 2klo s SER 4 CO 0.09 -1.29 1.20 -2.16 0.98 0.00 0.00 173.24 172.06 2klo s PRO 5 N -4.58 -0.19 0.99 4.02 0.04 -1.26 -5.04 135.00 128.99 2klo s PRO 5 Ca 0.60 -0.17 -0.12 0.00 0.04 0.00 0.00 61.00 61.36 2klo s PRO 5 Cb -0.15 -1.73 0.18 0.00 0.04 0.00 0.00 34.50 32.85 2klo s PRO 5 CO 0.46 -3.00 1.08 -1.54 0.04 0.00 0.00 177.00 174.04 2klo s SER 6 N -4.33 2.52 0.62 6.66 1.04 -1.26 -4.96 113.70 114.00 2klo s SER 6 Ca 0.71 1.64 -0.18 0.00 0.48 0.00 0.00 55.95 58.60 2klo s SER 6 Cb -0.08 -2.29 -0.03 0.00 0.10 0.00 0.00 66.02 63.73 2klo s SER 6 CO 0.54 -3.26 1.17 0.00 0.98 0.00 0.00 173.24 172.68 2klo n ALA 7 N -4.30 0.81 -1.90 5.32 0.00 -1.26 -4.99 120.51 114.19 2klo n ALA 7 Ca 0.07 0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.22 2klo n ALA 7 Cb 0.54 -2.25 0.04 0.00 0.00 0.00 0.00 19.45 17.78 2klo n ALA 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2klo s LEU 8 N -3.41 3.00 -0.02 0.00 1.43 -1.26 -5.10 118.68 113.32 2klo s LEU 8 Ca 0.79 1.15 -0.08 0.00 -1.03 0.00 0.00 54.13 54.97 2klo s LEU 8 Cb -0.40 -4.00 0.01 0.00 0.03 0.00 0.00 46.19 41.83 2klo s LEU 8 CO 0.43 -1.22 0.16 -1.59 0.23 0.00 0.00 176.35 174.37 2klo s LYS 9 N -5.29 0.43 0.00 1.70 0.00 -1.26 -5.17 119.74 110.15 2klo s LYS 9 Ca 0.57 -0.21 0.00 0.00 0.00 0.00 0.00 55.97 56.33 2klo s LYS 9 Cb -0.11 0.18 0.00 0.00 0.00 0.00 0.00 37.83 37.90 2klo s LYS 9 CO 0.52 -0.10 0.00 0.41 0.00 0.00 0.00 175.35 176.18 2klo n GLY 10 N 1.84 5.22 3.84 0.59 0.00 -1.26 -5.19 105.19 110.23 2klo n GLY 10 Ca -0.20 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.17 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 2.94 0.00 -0.11 1.61 0.11 -1.26 -4.96 120.40 118.73 2klo s VAL 11 Ca 0.00 -1.01 0.00 0.00 -2.93 0.00 0.00 61.98 58.04 2klo s VAL 11 Cb 0.00 -2.19 0.00 0.00 -1.53 0.00 0.00 36.38 32.66 2klo s VAL 11 CO 0.00 0.00 0.00 -1.20 -3.33 0.00 0.00 175.10 170.57 2klo n SER 12 N -0.66 -5.49 0.38 3.54 7.64 -1.26 -4.86 113.62 112.91 2klo n SER 12 Ca -0.05 0.02 -0.19 0.00 1.01 0.00 0.00 58.87 59.66 2klo n SER 12 Cb 0.59 -3.32 -0.10 0.00 -1.01 0.00 0.00 64.21 60.37 2klo n SER 12 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2klo h GLN 13 N 0.00 -1.09 0.00 1.43 4.20 -2.02 -1.62 115.11 116.00 2klo h GLN 13 Ca -0.02 0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2klo h GLN 13 Cb 0.94 0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.96 2klo h GLN 13 CO 0.03 -0.73 0.00 0.00 -0.67 0.00 0.00 178.83 177.46 2klo n ALA 14 N -2.77 1.65 0.08 3.87 0.00 -1.26 -2.15 120.51 119.92 2klo n ALA 14 Ca -0.14 -0.05 -0.07 0.00 0.00 0.00 0.00 53.44 53.18 2klo n ALA 14 Cb 0.49 -1.21 -0.07 0.00 0.00 0.00 0.00 19.45 18.66 2klo n ALA 14 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2klo h LEU 15 N 0.00 0.06 -1.74 0.00 -0.00 -1.69 -3.26 115.31 108.68 2klo h LEU 15 Ca 0.00 -0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 57.81 2klo h LEU 15 Cb 0.20 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 2klo h LEU 15 CO 0.00 0.97 -0.05 -0.07 -0.00 0.00 0.00 178.44 179.29 2klo h LEU 16 N 0.02 0.09 -2.46 1.67 3.38 -1.23 -1.70 115.31 115.08 2klo h LEU 16 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2klo h LEU 16 Cb 1.66 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.38 2klo h LEU 16 CO 0.13 0.16 0.00 -0.33 0.09 0.00 0.00 178.44 178.49 2klo h GLU 17 N 0.10 0.00 0.00 1.13 5.08 -1.71 -1.28 114.58 117.89 2klo h GLU 17 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2klo h GLU 17 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2klo h GLU 17 CO 0.01 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.56 2klo n ARG 18 N -2.89 0.04 -0.07 2.33 1.74 -0.64 -1.43 116.66 115.75 2klo n ARG 18 Ca -0.02 0.26 -0.11 0.00 -0.77 0.00 0.00 57.85 57.22 2klo n ARG 18 Cb 0.09 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 29.94 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 1.23 -0.98 0.55 2.04 -1.43 -3.33 117.51 115.58 2klo h ILE 19 Ca 0.00 -1.95 0.10 0.00 1.00 0.00 0.00 64.86 64.01 2klo h ILE 19 Cb 0.19 2.34 -0.08 0.00 -0.74 0.00 0.00 36.82 38.54 2klo h ILE 19 CO 0.00 0.42 0.62 -0.09 0.00 0.00 0.00 178.15 179.09 2klo h ARG 20 N -1.00 1.00 0.00 2.37 1.12 -1.46 -0.67 114.38 115.74 2klo h ARG 20 Ca -0.02 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.79 2klo h ARG 20 Cb 0.74 -0.23 0.00 0.00 -0.01 0.00 0.00 29.97 30.48 2klo h ARG 20 CO -0.01 0.66 0.00 0.00 -3.11 0.00 0.00 179.97 177.51 2klo n ALA 21 N -2.36 1.50 0.04 2.80 0.00 -0.51 -3.03 120.51 118.95 2klo n ALA 21 Ca 0.17 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.66 2klo n ALA 21 Cb 0.29 -1.09 0.51 0.00 0.00 0.00 0.00 19.45 19.16 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 0.35 0.00 0.00 6.56 -1.22 -1.01 116.57 121.26 2klo h LYS 22 Ca 0.00 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 2klo h LYS 22 Cb 0.04 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 31.62 2klo h LYS 22 CO 0.00 0.23 0.00 0.39 -2.06 0.00 0.00 179.45 178.01 2klo n GLU 23 N -4.48 0.10 0.31 3.15 -0.58 -1.17 -1.51 120.64 116.46 2klo n GLU 23 Ca 0.04 0.53 0.20 0.00 -0.42 0.00 0.00 57.16 57.50 2klo n GLU 23 Cb 0.17 -1.77 1.00 0.00 -0.57 0.00 0.00 31.44 30.27 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 0.08 -1.04 2.62 3.04 -1.44 -3.17 116.25 116.33 2klo h VAL 24 Ca 0.00 -0.21 0.33 0.00 -1.01 0.00 0.00 66.70 65.81 2klo h VAL 24 Cb 0.08 1.19 -0.14 0.00 -2.01 0.00 0.00 31.29 30.41 2klo h VAL 24 CO 0.00 0.01 0.61 0.06 -1.01 0.00 0.00 177.57 177.24 2klo h GLN 25 N 0.00 0.29 0.30 4.17 3.07 -1.47 -0.31 115.11 121.16 2klo h GLN 25 Ca -0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 58.71 2klo h GLN 25 Cb 0.19 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 27.69 2klo h GLN 25 CO 0.00 0.19 -0.14 1.57 0.09 0.00 0.00 178.83 180.54 2klo h LYS 26 N 0.29 -0.39 -0.43 0.06 -0.00 -1.82 -3.19 116.57 111.10 2klo h LYS 26 Ca 0.74 0.03 -0.01 0.00 -0.00 0.00 0.00 60.65 61.41 2klo h LYS 26 Cb 1.78 0.09 -0.02 0.00 -0.00 0.00 0.00 32.23 34.08 2klo h LYS 26 CO -0.57 -0.05 0.23 1.96 -0.00 0.00 0.00 179.45 181.02 2klo h GLN 27 N -0.88 0.58 0.00 0.07 1.08 -1.62 -2.23 115.11 112.11 2klo h GLN 27 Ca -0.04 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 2klo h GLN 27 Cb 0.52 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 2klo h GLN 27 CO 0.07 0.44 0.00 -0.11 -0.95 0.00 0.00 178.83 178.27 2klo n LEU 28 N -4.42 0.05 -4.69 1.46 7.94 -0.19 -4.74 117.00 112.41 2klo n LEU 28 Ca 0.03 0.52 -0.44 0.00 -1.11 0.00 0.00 56.01 55.01 2klo n LEU 28 Cb 0.10 -0.52 -0.04 0.00 0.53 0.00 0.00 43.42 43.49 2klo n LEU 28 CO 0.36 -0.47 1.38 0.00 -1.11 0.00 0.00 177.39 177.55 2klo n ALA 29 N -1.52 1.95 -3.01 1.96 0.00 -0.84 -4.96 120.51 114.09 2klo n ALA 29 Ca 0.01 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2klo n ALA 29 Cb 0.04 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 16.99 2klo n ALA 29 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2klo n ARG 30 N 4.80 0.02 -3.64 0.00 1.85 -1.26 -5.11 116.66 113.32 2klo n ARG 30 Ca 0.18 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.85 2klo n ARG 30 Cb 0.34 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.70 2klo n ARG 30 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2klo n MET 31 N 0.00 0.81 -3.82 2.89 0.00 -1.26 -5.18 117.12 110.57 2klo n MET 31 Ca 0.00 -2.34 -0.08 0.00 0.00 0.00 0.00 57.70 55.28 2klo n MET 31 Cb 0.00 1.12 0.03 0.00 0.00 0.00 0.00 33.22 34.37 2klo n MET 31 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 2klo s THR 32 N -2.49 0.00 0.28 3.17 -1.32 -1.26 -5.19 115.64 108.83 2klo s THR 32 Ca 0.11 -0.94 0.12 0.00 -1.21 0.00 0.00 61.69 59.76 2klo s THR 32 Cb 0.01 -2.94 -0.05 0.00 -1.51 0.00 0.00 72.50 68.00 2klo s THR 32 CO 0.08 0.00 -0.20 0.00 -2.21 0.00 0.00 174.62 172.29 2klo s ARG 33 N -2.19 1.69 0.09 7.08 1.70 -1.26 -5.09 118.95 120.97 2klo s ARG 33 Ca 0.17 -1.76 0.00 0.00 -0.47 0.00 0.00 55.73 53.66 2klo s ARG 33 Cb -0.05 -1.78 0.00 0.00 -0.57 0.00 0.00 34.95 32.56 2klo s ARG 33 CO 0.11 0.33 0.00 0.00 -1.08 0.00 0.00 175.30 174.66 2klo h PRO 35 N 0.00 0.18 -0.58 0.00 0.13 -2.05 -2.67 132.00 127.01 2klo h PRO 35 Ca 0.00 -0.01 0.17 0.00 -0.87 0.00 0.00 66.00 65.29 2klo h PRO 35 Cb 0.00 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.07 2klo h PRO 35 CO 0.00 0.12 0.60 0.93 -0.23 0.00 0.00 178.00 179.42 2klo h GLU 36 N 0.18 0.00 0.00 0.86 5.08 -2.02 -0.09 114.58 118.59 2klo h GLU 36 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2klo h GLU 36 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2klo h GLU 36 CO -0.01 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.04 2klo n GLN 37 N -3.69 0.04 -0.08 2.33 6.02 -1.01 -2.47 117.38 118.52 2klo n GLN 37 Ca 0.11 0.49 0.22 0.00 -0.01 0.00 0.00 57.00 57.81 2klo n GLN 37 Cb 0.82 -1.62 0.67 0.00 1.02 0.00 0.00 30.24 31.12 2klo n GLN 37 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 2klo h GLU 38 N 0.00 0.07 -0.70 -1.09 4.11 -1.26 -0.46 114.58 115.26 2klo h GLU 38 Ca 0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2klo h GLU 38 Cb 0.06 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2klo h GLU 38 CO 0.00 0.05 0.40 1.25 0.07 0.00 0.00 179.01 180.78 2klo h LEU 39 N 0.07 0.85 0.47 3.06 5.85 -1.75 0.24 115.31 124.10 2klo h LEU 39 Ca 0.33 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 2klo h LEU 39 Cb 1.19 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2klo h LEU 39 CO -0.03 0.69 -0.23 0.03 -0.34 0.00 0.00 178.44 178.56 2klo h ARG 40 N 0.95 -0.61 -0.82 1.25 2.47 -1.34 -2.36 114.38 113.93 2klo h ARG 40 Ca 0.25 0.04 0.05 0.00 -1.26 0.00 0.00 59.98 59.06 2klo h ARG 40 Cb 0.01 0.14 -0.06 0.00 -1.65 0.00 0.00 29.97 28.41 2klo h ARG 40 CO -0.04 -0.30 0.51 -0.07 0.56 0.00 0.00 179.97 180.62 2klo h LEU 41 N -0.92 0.81 -0.92 3.04 3.38 -1.29 0.93 115.31 120.35 2klo h LEU 41 Ca -0.06 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2klo h LEU 41 Cb 0.58 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 2klo h LEU 41 CO 0.11 0.54 0.43 1.56 0.09 0.00 0.00 178.44 181.16 2klo h GLN 42 N 0.95 1.20 0.01 1.13 4.20 -0.55 -0.99 115.11 121.05 2klo h GLN 42 Ca 0.35 -0.16 -0.17 0.00 0.06 0.00 0.00 58.65 58.73 2klo h GLN 42 Cb 0.12 -0.23 0.01 0.00 0.30 0.00 0.00 27.48 27.68 2klo h GLN 42 CO -0.15 0.91 -0.66 0.00 -0.67 0.00 0.00 178.83 178.26 2klo h ARG 43 N 1.20 0.44 -0.87 1.46 2.47 -0.78 -3.32 114.38 114.97 2klo h ARG 43 Ca 0.29 -0.48 0.02 0.00 -1.26 0.00 0.00 59.98 58.56 2klo h ARG 43 Cb 0.08 0.14 -0.05 0.00 -1.65 0.00 0.00 29.97 28.49 2klo h ARG 43 CO -0.04 1.13 0.58 -0.07 0.56 0.00 0.00 179.97 182.13 2klo h LEU 44 N -0.06 0.98 0.00 3.04 3.38 -0.65 -0.86 115.31 121.14 2klo h LEU 44 Ca -0.08 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2klo h LEU 44 Cb 1.37 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2klo h LEU 44 CO 0.13 0.69 0.00 -1.84 0.09 0.00 0.00 178.44 177.51 2klo n GLU 45 N -4.42 0.33 -0.05 1.13 0.28 -0.40 -2.30 120.64 115.22 2klo n GLU 45 Ca 0.11 0.09 0.08 0.00 -0.16 0.00 0.00 57.16 57.27 2klo n GLU 45 Cb 0.05 -1.50 0.37 0.00 1.43 0.00 0.00 31.44 31.80 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 -1.23 1.34 -0.32 3.44 5.12 -0.33 -4.30 116.66 120.38 2klo n ARG 46 Ca 0.10 -0.52 -0.10 0.00 -1.93 0.00 0.00 57.85 55.40 2klo n ARG 46 Cb 0.14 -1.28 -0.07 0.00 -1.16 0.00 0.00 32.46 30.08 2klo n ARG 46 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2klo h LEU 47 N 0.99 -1.91 -0.63 0.55 3.38 -1.62 0.12 115.31 116.18 2klo h LEU 47 Ca 0.00 0.30 -0.08 0.00 0.09 0.00 0.00 57.88 58.19 2klo h LEU 47 Cb 0.22 0.85 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2klo h LEU 47 CO 0.00 -0.29 -0.38 1.55 0.09 0.00 0.00 178.44 179.40 2klo h PRO 48 N -0.12 0.00 0.24 1.13 0.13 -1.88 -2.64 132.00 128.86 2klo h PRO 48 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 2klo h PRO 48 Cb 0.50 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.63 2klo h PRO 48 CO -0.83 0.38 -0.13 1.49 -0.23 0.00 0.00 178.00 178.68 2klo h GLU 49 N 0.00 -0.34 0.14 0.86 4.57 -1.08 -0.05 114.58 118.68 2klo h GLU 49 Ca -0.00 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2klo h GLU 49 Cb 1.04 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 2klo h GLU 49 CO 0.05 -0.22 -0.07 -0.07 -1.18 0.00 0.00 179.01 177.52 2klo h LEU 50 N -0.35 -0.16 -0.95 1.64 -0.00 -1.17 -2.20 115.31 112.12 2klo h LEU 50 Ca -0.03 -0.18 0.15 0.00 -0.00 0.00 0.00 57.88 57.83 2klo h LEU 50 Cb 0.28 0.04 -0.09 0.00 -0.00 0.00 0.00 40.66 40.89 2klo h LEU 50 CO 0.04 0.09 0.56 0.00 -0.00 0.00 0.00 178.44 179.13 2klo h ALA 51 N 0.41 1.48 -0.32 1.53 0.00 -1.39 0.12 119.26 121.09 2klo h ALA 51 Ca -0.02 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 2klo h ALA 51 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2klo h ALA 51 CO 0.03 0.03 -0.43 0.00 0.00 0.00 0.00 179.25 178.88 2klo h ARG 52 N 0.79 0.81 -0.18 0.00 3.08 -0.92 -2.68 114.38 115.29 2klo h ARG 52 Ca 0.51 -0.44 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 2klo h ARG 52 Cb 0.67 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 2klo h ARG 52 CO -0.33 1.08 0.09 0.28 -1.07 0.00 0.00 179.97 180.01 2klo h VAL 53 N 0.66 1.11 -0.23 2.04 2.07 -0.39 -2.18 116.25 119.32 2klo h VAL 53 Ca 0.05 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.31 2klo h VAL 53 Cb 1.00 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 31.70 2klo h VAL 53 CO 0.10 0.11 -0.31 0.25 0.02 0.00 0.00 177.57 177.73 2klo h LEU 54 N 0.17 -1.00 -1.40 2.57 5.85 -0.98 0.16 115.31 120.68 2klo h LEU 54 Ca 0.06 0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.98 2klo h LEU 54 Cb 0.09 0.44 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 2klo h LEU 54 CO -0.01 -0.34 0.44 -0.09 -0.34 0.00 0.00 178.44 178.11 2klo h ARG 55 N -0.33 0.74 -0.43 1.25 2.43 -1.38 -1.38 114.38 115.28 2klo h ARG 55 Ca 0.12 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 2klo h ARG 55 Cb 0.53 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2klo h ARG 55 CO -0.41 0.49 -0.12 -0.91 -1.51 0.00 0.00 179.97 177.51 2klo h ASN 56 N 0.76 0.77 0.22 -3.80 2.35 -0.26 -2.23 115.58 113.40 2klo h ASN 56 Ca 0.28 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2klo h ASN 56 Cb 0.14 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.31 2klo h ASN 56 CO -0.08 0.91 -0.11 0.58 -1.65 0.00 0.00 177.43 177.08 2klo h VAL 57 N 0.70 0.82 -0.67 2.81 2.07 0.30 -0.95 116.25 121.34 2klo h VAL 57 Ca 0.12 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 2klo h VAL 57 Cb 0.60 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 2klo h VAL 57 CO 0.04 0.05 0.40 -0.26 0.02 0.00 0.00 177.57 177.82 2klo h PHE 58 N -0.42 0.87 -0.12 1.57 -1.00 -1.37 0.56 116.94 117.03 2klo h PHE 58 Ca -0.03 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.54 2klo h PHE 58 Cb 0.32 -0.29 0.01 0.00 3.61 0.00 0.00 35.95 39.60 2klo h PHE 58 CO -0.03 0.58 -0.78 -0.24 -1.61 0.00 0.00 178.31 176.24 2klo h VAL 59 N 0.92 1.31 -0.60 -0.55 3.04 -1.28 -3.15 116.25 115.93 2klo h VAL 59 Ca 0.24 -2.05 -0.09 0.00 -1.01 0.00 0.00 66.70 63.79 2klo h VAL 59 Cb -0.03 2.05 -0.02 0.00 -2.01 0.00 0.00 31.29 31.27 2klo h VAL 59 CO -0.05 0.64 0.02 -1.28 -1.01 0.00 0.00 177.57 175.89 2klo h SER 60 N 0.44 1.03 0.36 3.17 0.87 -0.47 -2.40 113.55 116.54 2klo h SER 60 Ca -0.05 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2klo h SER 60 Cb 1.39 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2klo h SER 60 CO 0.15 1.07 0.00 1.21 -0.53 0.00 0.00 176.83 178.73 2klo n GLU 61 N -4.21 0.04 -0.80 2.24 4.07 0.12 -4.85 120.64 117.25 2klo n GLU 61 Ca 0.03 0.37 0.00 0.00 -0.06 0.00 0.00 57.16 57.50 2klo n GLU 61 Cb 0.33 -1.59 0.00 0.00 -0.06 0.00 0.00 31.44 30.13 2klo n GLU 61 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2klo n ARG 62 N -1.66 -1.57 -4.74 5.31 0.63 -0.91 -4.92 116.66 108.80 2klo n ARG 62 Ca 0.02 0.35 -0.32 0.00 -0.92 0.00 0.00 57.85 56.98 2klo n ARG 62 Cb 0.12 -4.61 -0.17 0.00 0.45 0.00 0.00 32.46 28.26 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 -1.60 2.99 0.00 -0.14 -2.85 -1.25 -5.02 119.74 111.88 2klo s LYS 63 Ca 0.00 -0.85 0.23 0.00 -1.00 0.00 0.00 55.97 54.35 2klo s LYS 63 Cb 0.00 -2.39 0.98 0.00 -2.06 0.00 0.00 37.83 34.36 2klo s LYS 63 CO 0.00 0.01 1.73 -0.35 0.10 0.00 0.00 175.35 176.85 2klo n PRO 64 N 4.00 0.00 -4.35 1.78 -0.04 -1.26 -4.71 135.00 130.42 2klo n PRO 64 Ca -0.20 0.10 -0.20 0.00 -0.04 0.00 0.00 63.50 63.17 2klo n PRO 64 Cb 0.52 -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 -3.00 0.79 0.19 0.55 0.00 -1.26 -2.90 121.76 116.13 2klo s ALA 65 Ca 0.11 -0.31 0.07 0.00 0.00 0.00 0.00 51.96 51.83 2klo s ALA 65 Cb 0.15 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 2klo s ALA 65 CO 0.42 0.13 -0.14 -0.51 0.00 0.00 0.00 175.76 175.66 2klo s LEU 66 N 0.15 2.55 0.44 0.00 1.02 -0.75 -4.95 118.68 117.13 2klo s LEU 66 Ca -0.02 -1.01 -0.22 0.00 0.02 0.00 0.00 54.13 52.90 2klo s LEU 66 Cb -0.08 -0.64 -0.09 0.00 0.02 0.00 0.00 46.19 45.40 2klo s LEU 66 CO 0.00 -0.18 1.03 -0.89 0.02 0.00 0.00 176.35 176.34 2klo s THR 67 N -2.95 3.81 0.16 5.49 2.01 -1.26 -0.38 115.64 122.52 2klo s THR 67 Ca 0.21 1.26 -0.15 0.00 0.31 0.00 0.00 61.69 63.32 2klo s THR 67 Cb -0.01 -3.58 0.04 0.00 0.01 0.00 0.00 72.50 68.96 2klo s THR 67 CO 0.06 -0.12 1.76 -0.03 -0.69 0.00 0.00 174.62 175.60 2klo h MET 68 N 2.07 0.34 -0.35 4.92 4.05 -1.38 -1.07 114.93 123.51 2klo h MET 68 Ca -0.49 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 58.84 2klo h MET 68 Cb 1.21 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.93 2klo h MET 68 CO 0.61 0.22 -0.06 1.49 0.23 0.00 0.00 176.91 179.40 2klo h GLU 69 N 0.35 0.66 0.05 0.39 4.57 -1.93 -1.90 114.58 116.77 2klo h GLU 69 Ca 0.18 -0.24 0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2klo h GLU 69 Cb 0.14 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 2klo h GLU 69 CO -0.16 0.81 -0.12 0.28 -1.18 0.00 0.00 179.01 178.65 2klo h VAL 70 N 0.46 0.72 -0.44 0.32 2.07 -1.86 0.11 116.25 117.62 2klo h VAL 70 Ca 0.09 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.57 2klo h VAL 70 Cb 0.55 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2klo h VAL 70 CO 0.03 0.00 0.08 1.62 0.02 0.00 0.00 177.57 179.32 2klo h VAL 71 N -0.22 1.21 0.56 2.57 3.04 -1.18 -0.28 116.25 121.94 2klo h VAL 71 Ca 0.02 -0.77 -0.03 0.00 -1.01 0.00 0.00 66.70 64.92 2klo h VAL 71 Cb 0.25 0.79 0.01 0.00 -2.01 0.00 0.00 31.29 30.32 2klo h VAL 71 CO -0.08 0.28 -0.27 0.00 -1.01 0.00 0.00 177.57 176.49 2klo h ALA 73 N -0.62 1.29 -0.64 0.00 0.00 -0.68 -0.46 119.26 118.15 2klo h ALA 73 Ca -0.08 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2klo h ALA 73 Cb 0.64 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2klo h ALA 73 CO 0.13 0.43 0.13 -0.09 0.00 0.00 0.00 179.25 179.84 2klo h ARG 74 N 1.14 1.05 0.08 0.00 9.65 -0.99 -1.63 114.38 123.68 2klo h ARG 74 Ca 0.40 -0.27 -0.23 0.00 -1.10 0.00 0.00 59.98 58.78 2klo h ARG 74 Cb 0.10 -0.13 0.02 0.00 -1.39 0.00 0.00 29.97 28.57 2klo h ARG 74 CO -0.15 0.96 -0.95 1.98 2.80 0.00 0.00 179.97 184.60 2klo h MET 75 N 0.96 0.50 -0.27 0.20 4.05 -0.82 -3.25 114.93 116.31 2klo h MET 75 Ca 0.20 -0.65 -0.05 0.00 -0.28 0.00 0.00 59.70 58.92 2klo h MET 75 Cb 0.40 0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 31.40 2klo h MET 75 CO 0.01 1.27 -0.05 -0.24 0.23 0.00 0.00 176.91 178.13 2klo h VAL 76 N 0.04 1.19 0.00 -5.77 3.04 -1.07 -1.64 116.25 112.04 2klo h VAL 76 Ca -0.14 -0.78 -0.04 0.00 -1.01 0.00 0.00 66.70 64.72 2klo h VAL 76 Cb 1.67 1.04 -0.01 0.00 -2.01 0.00 0.00 31.29 31.98 2klo h VAL 76 CO 0.18 0.26 -0.21 -0.78 -1.01 0.00 0.00 177.57 176.02 2klo h ASP 77 N 0.40 0.00 0.18 3.17 3.58 -1.36 -0.99 116.42 121.40 2klo h ASP 77 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2klo h ASP 77 Cb 0.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2klo h ASP 77 CO 0.01 0.21 0.00 -0.24 -2.88 0.00 0.00 179.24 176.34 2klo n SER 78 N -4.21 0.00 0.00 2.28 2.88 -0.62 -3.28 113.62 110.67 2klo n SER 78 Ca -0.02 -0.27 0.06 0.00 -1.33 0.00 0.00 58.87 57.31 2klo n SER 78 Cb 0.27 -0.15 0.28 0.00 -0.75 0.00 0.00 64.21 63.86 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 -1.48 0.47 0.00 0.00 10.64 -1.21 -3.84 117.38 121.96 2klo n GLN 80 Ca 0.03 -0.41 0.00 0.00 -1.83 0.00 0.00 57.00 54.79 2klo n GLN 80 Cb 0.15 -1.80 0.00 0.00 -0.86 0.00 0.00 30.24 27.73 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 3.60 0.00 -1.80 -0.39 5.66 -1.26 -5.05 114.28 115.04 2klo n THR 81 Ca 0.10 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.06 2klo n THR 81 Cb 0.12 -0.21 -0.04 0.00 -1.55 0.00 0.00 70.33 68.64 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 -1.87 1.76 -2.16 1.79 0.00 -1.25 -5.16 120.51 113.61 2klo n ALA 82 Ca 0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 53.44 52.94 2klo n ALA 82 Cb 0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 19.45 19.07 2klo n ALA 82 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2klo s LEU 83 N 0.00 1.76 0.37 0.00 0.05 -1.25 -5.14 118.68 114.46 2klo s LEU 83 Ca 0.00 -1.22 -0.05 0.00 0.05 0.00 0.00 54.13 52.91 2klo s LEU 83 Cb 0.00 0.26 -0.05 0.00 -2.05 0.00 0.00 46.19 44.36 2klo s LEU 83 CO 0.00 -0.72 0.65 -0.44 -0.55 0.00 0.00 176.35 175.29 2klo s SER 84 N -3.07 6.39 0.43 1.48 0.01 -1.26 -4.79 113.70 112.88 2klo s SER 84 Ca 0.25 0.79 0.18 0.00 1.31 0.00 0.00 55.95 58.49 2klo s SER 84 Cb 0.07 -2.18 0.97 0.00 0.21 0.00 0.00 66.02 65.09 2klo s SER 84 CO 0.03 -0.34 1.91 1.55 0.41 0.00 0.00 173.24 176.79 2klo h PRO 85 N 1.07 0.00 -0.59 12.44 0.13 -1.93 -2.93 132.00 140.20 2klo h PRO 85 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 2klo h PRO 85 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2klo h PRO 85 CO 0.64 0.27 0.24 0.78 -0.23 0.00 0.00 178.00 179.69 2klo h GLY 86 N 1.12 0.94 1.71 1.56 0.00 -1.99 -2.05 103.07 104.36 2klo h GLY 86 Ca -0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 47.33 46.71 2klo h GLY 86 CO 0.04 0.48 -0.38 1.05 0.00 0.00 0.00 176.54 177.73 2klo h GLU 87 N 0.81 0.32 0.15 4.80 4.11 -1.93 -0.49 114.58 122.35 2klo h GLU 87 Ca 0.20 -0.15 -0.01 0.00 0.07 0.00 0.00 59.36 59.47 2klo h GLU 87 Cb 0.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2klo h GLU 87 CO -0.02 0.66 -0.07 1.98 0.07 0.00 0.00 179.01 181.63 2klo h MET 88 N 0.27 -0.19 0.71 1.06 4.05 -1.36 -1.73 114.93 117.74 2klo h MET 88 Ca 0.03 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.43 2klo h MET 88 Cb 0.79 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 2klo h MET 88 CO 0.06 -0.13 -0.38 1.49 0.23 0.00 0.00 176.91 178.18 2klo h GLU 89 N -0.20 -0.98 -0.94 0.39 4.57 -1.13 -2.56 114.58 113.73 2klo h GLU 89 Ca -0.02 0.07 0.25 0.00 -1.18 0.00 0.00 59.36 58.48 2klo h GLU 89 Cb 0.15 0.22 -0.06 0.00 -0.16 0.00 0.00 28.75 28.91 2klo h GLU 89 CO 0.03 -0.65 0.65 0.87 -1.18 0.00 0.00 179.01 178.73 2klo h LYS 90 N -1.01 0.19 0.02 1.92 1.79 -1.03 0.11 116.57 118.56 2klo h LYS 90 Ca -0.09 -0.01 -0.27 0.00 -2.18 0.00 0.00 60.65 58.09 2klo h LYS 90 Cb 0.80 -0.04 0.02 0.00 -1.58 0.00 0.00 32.23 31.43 2klo h LYS 90 CO 0.13 0.12 -1.07 1.25 -1.08 0.00 0.00 179.45 178.80 2klo h HIS 91 N 0.19 1.04 -0.41 -1.35 2.76 -1.09 -2.66 115.15 113.64 2klo h HIS 91 Ca 0.48 -0.58 0.03 0.00 -2.20 0.00 0.00 60.37 58.09 2klo h HIS 91 Cb 1.55 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 30.37 2klo h HIS 91 CO -0.00 1.42 0.27 -0.07 -1.30 0.00 0.00 177.93 178.25 2klo h LEU 92 N 0.37 0.38 0.60 0.26 3.38 -0.58 -0.32 115.31 119.40 2klo h LEU 92 Ca -0.14 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2klo h LEU 92 Cb 1.73 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 42.40 2klo h LEU 92 CO 0.21 0.27 -0.29 0.58 0.09 0.00 0.00 178.44 179.30 2klo h VAL 93 N 0.45 0.15 -0.87 1.22 2.07 -1.39 -2.70 116.25 115.18 2klo h VAL 93 Ca 0.16 -0.39 0.14 0.00 0.82 0.00 0.00 66.70 67.44 2klo h VAL 93 Cb 0.10 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.01 2klo h VAL 93 CO -0.04 0.02 0.56 0.17 0.02 0.00 0.00 177.57 178.31 2klo h LEU 94 N -1.14 0.61 0.58 2.57 8.10 -1.09 0.67 115.31 125.60 2klo h LEU 94 Ca -0.08 0.04 -0.03 0.00 0.11 0.00 0.00 57.88 57.92 2klo h LEU 94 Cb 0.66 -0.08 0.01 0.00 -0.44 0.00 0.00 40.66 40.80 2klo h LEU 94 CO 0.14 0.31 -0.28 -0.07 -4.11 0.00 0.00 178.44 174.43 2klo h LEU 95 N 0.64 -0.66 -1.51 0.17 3.38 -1.06 -2.54 115.31 113.74 2klo h LEU 95 Ca 0.43 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.36 2klo h LEU 95 Cb 0.74 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2klo h LEU 95 CO -0.19 -0.44 -0.25 0.00 0.09 0.00 0.00 178.44 177.65 2klo h ALA 96 N -0.40 1.34 -0.36 1.53 0.00 -1.02 -1.87 119.26 118.49 2klo h ALA 96 Ca -0.08 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 2klo h ALA 96 Cb 0.61 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2klo h ALA 96 CO 0.13 0.31 0.02 1.49 0.00 0.00 0.00 179.25 181.20 2klo h GLU 97 N 0.00 0.61 0.00 0.00 4.57 -0.65 -3.11 114.58 116.01 2klo h GLU 97 Ca -0.00 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 2klo h GLU 97 Cb 0.52 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2klo h GLU 97 CO 0.03 0.71 -0.88 1.28 -1.18 0.00 0.00 179.01 178.98 2klo n LEU 98 N -4.52 0.64 -3.26 1.64 4.77 -0.98 -4.61 117.00 110.68 2klo n LEU 98 Ca -0.02 -0.05 -0.25 0.00 -0.03 0.00 0.00 56.01 55.66 2klo n LEU 98 Cb 0.26 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.16 2klo n LEU 98 CO 0.39 0.08 -0.04 0.18 -1.33 0.00 0.00 177.39 176.67 2klo n LEU 99 N -1.82 2.64 0.24 2.23 4.77 -0.71 -4.91 117.00 119.43 2klo n LEU 99 Ca 0.03 -5.24 0.10 0.00 -0.03 0.00 0.00 56.01 50.87 2klo n LEU 99 Cb 0.40 -0.17 0.59 0.00 -2.33 0.00 0.00 43.42 41.91 2klo n LEU 99 CO 0.39 2.13 0.88 1.55 -1.33 0.00 0.00 177.39 181.01 2klo h PRO 100 N 3.82 0.00 -0.40 3.23 0.13 -1.75 -1.69 132.00 135.34 2klo h PRO 100 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2klo h PRO 100 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2klo h PRO 100 CO 0.70 0.19 0.00 -0.25 -0.23 0.00 0.00 178.00 178.42 2klo n ASP 101 N -3.61 2.03 0.02 1.44 8.00 -1.26 -4.00 116.55 119.16 2klo n ASP 101 Ca -0.01 -2.05 -0.01 0.00 0.71 0.00 0.00 54.79 53.42 2klo n ASP 101 Cb 0.33 -0.28 -0.00 0.00 -0.02 0.00 0.00 41.12 41.15 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 0.49 0.00 -4.58 1.24 -0.00 -0.79 -4.76 117.44 109.04 2klo n TRP 102 Ca 0.12 0.00 -0.33 0.00 -0.00 0.00 0.00 57.50 57.28 2klo n TRP 102 Cb 0.34 -0.06 -0.14 0.00 -0.00 0.00 0.00 31.31 31.45 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 -6.81 2.83 0.16 5.87 2.96 -0.71 -1.28 118.68 121.71 2klo s LEU 103 Ca -0.03 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 2klo s LEU 103 Cb 0.01 -1.66 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 2klo s LEU 103 CO 0.04 0.14 -0.01 -0.55 -1.32 0.00 0.00 176.35 174.65 2klo s SER 104 N 0.52 1.20 0.08 3.68 0.15 -0.32 -4.38 113.70 114.62 2klo s SER 104 Ca -0.07 -1.14 0.01 0.00 0.70 0.00 0.00 55.95 55.44 2klo s SER 104 Cb -0.15 0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 64.23 2klo s SER 104 CO 0.04 -0.55 -0.05 -1.48 1.20 0.00 0.00 173.24 172.40 2klo s LEU 105 N -3.15 2.48 -0.16 3.45 0.05 -1.26 -1.13 118.68 118.96 2klo s LEU 105 Ca 0.22 -0.96 -0.04 0.00 0.05 0.00 0.00 54.13 53.40 2klo s LEU 105 Cb 0.06 0.02 0.07 0.00 -2.05 0.00 0.00 46.19 44.29 2klo s LEU 105 CO 0.02 -0.49 0.18 -1.00 -0.55 0.00 0.00 176.35 174.52 2klo s HIS 106 N -3.50 -0.18 -0.33 3.48 3.76 0.18 -4.96 115.29 113.75 2klo s HIS 106 Ca 0.08 0.26 -0.26 0.00 -0.15 0.00 0.00 55.06 54.99 2klo s HIS 106 Cb 0.05 -0.38 0.01 0.00 1.11 0.00 0.00 32.58 33.37 2klo s HIS 106 CO -0.06 -0.49 0.93 0.50 -0.85 0.00 0.00 174.74 174.77 2klo s ARG 107 N 2.29 3.97 0.07 1.40 3.00 -1.26 -1.17 118.95 127.25 2klo s ARG 107 Ca 0.05 0.77 0.05 0.00 -1.00 0.00 0.00 55.73 55.60 2klo s ARG 107 Cb -0.15 -3.75 -0.04 0.00 0.00 0.00 0.00 34.95 31.02 2klo s ARG 107 CO -0.10 -0.83 -0.05 0.42 0.00 0.00 0.00 175.30 174.74 2klo s ILE 108 N 3.34 3.69 0.33 4.11 -1.09 -0.35 -4.98 121.20 126.26 2klo s ILE 108 Ca 0.39 -1.03 0.12 0.00 -2.23 0.00 0.00 60.65 57.90 2klo s ILE 108 Cb -0.13 -2.71 0.32 0.00 -1.58 0.00 0.00 42.46 38.36 2klo s ILE 108 CO 0.15 0.19 1.69 0.08 -1.23 0.00 0.00 174.94 175.83 2klo h ARG 109 N 3.80 0.43 -0.06 2.79 0.11 -2.03 -0.24 114.38 119.17 2klo h ARG 109 Ca -0.48 -0.03 -0.24 0.00 0.10 0.00 0.00 59.98 59.33 2klo h ARG 109 Cb 1.17 -0.10 0.01 0.00 1.11 0.00 0.00 29.97 32.16 2klo h ARG 109 CO 0.55 0.29 -0.92 0.00 0.10 0.00 0.00 179.97 179.99 2klo h THR 110 N 0.45 1.29 -1.27 0.08 1.03 -2.01 -3.49 112.91 108.99 2klo h THR 110 Ca 0.69 -2.15 0.39 0.00 -0.01 0.00 0.00 66.41 65.33 2klo h THR 110 Cb 1.45 2.21 -0.12 0.00 -1.07 0.00 0.00 68.15 70.61 2klo h THR 110 CO -0.54 0.67 0.97 -0.62 -0.01 0.00 0.00 175.52 175.98 2klo s ASP 111 N -7.19 -0.01 0.12 0.00 -1.08 -0.10 -5.16 116.67 103.25 2klo s ASP 111 Ca -0.09 -0.04 -0.13 0.00 -0.52 0.00 0.00 52.55 51.77 2klo s ASP 111 Cb 0.08 0.04 -0.07 0.00 -1.46 0.00 0.00 42.92 41.51 2klo s ASP 111 CO 0.91 -0.07 0.50 -0.89 0.52 0.00 0.00 175.17 176.13 2klo s THR 112 N -2.08 4.93 0.23 1.71 2.01 -1.26 -1.21 115.64 119.97 2klo s THR 112 Ca 0.18 0.72 0.02 0.00 0.31 0.00 0.00 61.69 62.92 2klo s THR 112 Cb 0.06 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 2klo s THR 112 CO -0.06 0.27 0.04 -0.31 -0.69 0.00 0.00 174.62 173.88 2klo s TYR 113 N -1.42 1.46 0.12 4.92 1.51 -0.32 -1.03 117.35 122.58 2klo s TYR 113 Ca 0.36 -1.07 0.06 0.00 -1.01 0.00 0.00 57.07 55.41 2klo s TYR 113 Cb -0.15 -0.85 -0.04 0.00 -0.11 0.00 0.00 41.96 40.81 2klo s TYR 113 CO 0.19 -0.22 -0.14 0.08 -1.11 0.00 0.00 175.55 174.35 2klo s VAL 114 N -3.63 1.31 -0.01 0.71 1.01 0.48 -0.65 120.40 119.62 2klo s VAL 114 Ca 0.32 -1.69 0.03 0.00 0.00 0.00 0.00 61.98 60.63 2klo s VAL 114 Cb 0.07 -1.50 -0.00 0.00 0.00 0.00 0.00 36.38 34.95 2klo s VAL 114 CO 0.10 -0.41 -0.09 -0.54 0.00 0.00 0.00 175.10 174.16 2klo s LYS 115 N -2.61 0.76 -0.03 2.72 -0.14 -0.28 -1.81 119.74 118.35 2klo s LYS 115 Ca 0.08 -0.31 -0.00 0.00 -1.36 0.00 0.00 55.97 54.38 2klo s LYS 115 Cb -0.05 -0.73 0.03 0.00 -1.68 0.00 0.00 37.83 35.40 2klo s LYS 115 CO 0.03 0.17 0.02 -1.17 -0.76 0.00 0.00 175.35 173.64 2klo s LEU 116 N -0.12 0.95 -0.88 3.17 0.20 -1.14 -1.17 118.68 119.69 2klo s LEU 116 Ca 0.02 0.00 -0.25 0.00 0.69 0.00 0.00 54.13 54.59 2klo s LEU 116 Cb -0.05 -0.19 0.03 0.00 -0.43 0.00 0.00 46.19 45.56 2klo s LEU 116 CO -0.00 -0.14 1.43 -1.81 -0.29 0.00 0.00 176.35 175.54 2klo s ASP 117 N 1.27 6.22 0.14 3.68 1.01 -0.40 -4.83 116.67 123.76 2klo s ASP 117 Ca -0.06 -0.91 0.21 0.00 0.71 0.00 0.00 52.55 52.50 2klo s ASP 117 Cb -0.13 -2.56 0.85 0.00 1.01 0.00 0.00 42.92 42.09 2klo s ASP 117 CO -0.02 -1.76 1.64 0.29 0.21 0.00 0.00 175.17 175.53 2klo n LYS 118 N 9.10 0.12 0.16 8.23 5.02 -1.26 -2.94 118.16 136.60 2klo n LYS 118 Ca 0.20 0.31 0.04 0.00 -2.02 0.00 0.00 58.31 56.84 2klo n LYS 118 Cb 0.50 -1.71 0.19 0.00 -0.02 0.00 0.00 35.03 33.99 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 2.42 0.83 -2.38 7.82 0.00 -2.00 -3.45 119.26 122.50 2klo h ALA 119 Ca 0.00 -0.42 -0.56 0.00 0.00 0.00 0.00 54.91 53.93 2klo h ALA 119 Cb 0.37 -0.07 0.05 0.00 0.00 0.00 0.00 17.79 18.13 2klo h ALA 119 CO 0.00 0.58 0.98 0.28 0.00 0.00 0.00 179.25 181.09 2klo n VAL 120 N -3.40 0.19 -1.80 0.00 0.31 -1.15 -4.85 118.33 107.63 2klo n VAL 120 Ca 0.01 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.88 2klo n VAL 120 Cb 0.62 -1.85 -0.03 0.00 -0.91 0.00 0.00 33.84 31.67 2klo n VAL 120 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2klo s ASP 121 N 1.95 6.29 0.44 4.52 2.15 -1.26 -4.89 116.67 125.86 2klo s ASP 121 Ca 0.81 2.26 0.15 0.00 0.43 0.00 0.00 52.55 56.20 2klo s ASP 121 Cb -0.59 -2.53 1.07 0.00 -0.30 0.00 0.00 42.92 40.58 2klo s ASP 121 CO 0.38 -1.24 1.97 0.25 -0.17 0.00 0.00 175.17 176.36 2klo h LEU 122 N 11.59 0.34 -0.61 -1.34 7.12 -1.93 -0.84 115.31 129.65 2klo h LEU 122 Ca -0.43 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 57.58 2klo h LEU 122 Cb 1.21 -0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 41.25 2klo h LEU 122 CO 0.96 0.20 0.35 0.00 -0.13 0.00 0.00 178.44 179.81 2klo h ALA 123 N 1.69 0.78 -0.13 1.25 0.00 -1.99 0.18 119.26 121.04 2klo h ALA 123 Ca 0.29 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 2klo h ALA 123 Cb 0.64 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2klo h ALA 123 CO -0.08 0.28 -0.49 0.78 0.00 0.00 0.00 179.25 179.74 2klo h GLY 124 N 0.83 0.38 0.61 0.00 0.00 -1.60 -2.12 103.07 101.18 2klo h GLY 124 Ca 0.22 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2klo h GLY 124 CO -0.04 0.37 -0.09 1.41 0.00 0.00 0.00 176.54 178.19 2klo h LEU 125 N 0.28 -0.20 -0.70 3.11 3.38 -0.73 -2.24 115.31 118.20 2klo h LEU 125 Ca 0.01 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.79 2klo h LEU 125 Cb 0.97 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 2klo h LEU 125 CO 0.08 0.19 0.37 0.74 0.09 0.00 0.00 178.44 179.91 2klo h THR 126 N -0.63 0.91 0.68 0.22 2.02 -0.65 0.13 112.91 115.60 2klo h THR 126 Ca -0.02 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 2klo h THR 126 Cb 0.46 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2klo h THR 126 CO 0.04 0.12 -0.46 0.00 0.37 0.00 0.00 175.52 175.59 2klo h ALA 127 N 1.39 -1.23 -0.92 6.16 0.00 -1.34 0.16 119.26 123.48 2klo h ALA 127 Ca 0.33 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2klo h ALA 127 Cb 0.28 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 2klo h ALA 127 CO -0.23 -1.20 0.61 0.07 0.00 0.00 0.00 179.25 178.51 2klo h ARG 128 N -1.08 1.17 -0.39 0.00 0.11 -1.20 -0.33 114.38 112.65 2klo h ARG 128 Ca -0.09 -0.07 -0.03 0.00 0.10 0.00 0.00 59.98 59.89 2klo h ARG 128 Cb 0.88 -0.26 -0.02 0.00 1.11 0.00 0.00 29.97 31.68 2klo h ARG 128 CO 0.07 0.77 0.13 1.25 0.10 0.00 0.00 179.97 182.29 2klo h LEU 129 N 1.20 0.57 0.00 0.08 5.85 -0.54 -2.72 115.31 119.75 2klo h LEU 129 Ca 0.35 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2klo h LEU 129 Cb -0.06 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.83 2klo h LEU 129 CO -0.09 0.61 0.00 0.00 -0.34 0.00 0.00 178.44 178.62 2klo n ALA 130 N -2.32 2.08 -0.33 1.25 0.00 0.53 -4.21 120.51 117.51 2klo n ALA 130 Ca -0.00 -0.08 0.26 0.00 0.00 0.00 0.00 53.44 53.61 2klo n ALA 130 Cb 0.17 -1.38 0.55 0.00 0.00 0.00 0.00 19.45 18.80 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 0.56 0.00 0.00 2.07 -0.73 -3.45 115.15 113.59 2klo h HIS 131 Ca 0.00 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 2klo h HIS 131 Cb 0.39 -0.16 0.00 0.00 2.57 0.00 0.00 27.41 30.21 2klo h HIS 131 CO 0.00 0.02 0.00 0.72 -3.07 0.00 0.00 177.93 175.60 2klo n HIS 132 N -4.58 0.00 0.24 6.12 -0.00 -1.26 -4.81 115.22 110.94 2klo n HIS 132 Ca 0.27 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 58.10 2klo n HIS 132 Cb 0.98 -1.35 0.59 0.00 -0.00 0.00 0.00 29.99 30.21 2klo n HIS 132 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2klo h VAL 133 N 0.00 0.49 0.00 1.59 2.07 -1.94 -3.34 116.25 115.12 2klo h VAL 133 Ca 0.00 -0.85 -0.10 0.00 0.82 0.00 0.00 66.70 66.57 2klo h VAL 133 Cb 0.27 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 2klo h VAL 133 CO 0.00 0.16 -1.41 1.57 0.02 0.00 0.00 177.57 177.91 2klo n HIS 134 N -3.43 0.00 -3.19 1.57 -0.00 -1.26 -5.09 115.22 103.83 2klo n HIS 134 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.68 2klo n HIS 134 Cb 0.35 -0.29 0.01 0.00 -0.00 0.00 0.00 29.99 30.05 2klo n HIS 134 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2klo n ALA 135 N -2.19 0.16 -0.35 1.57 0.00 -1.25 -5.11 120.51 113.34 2klo n ALA 135 Ca -0.09 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2klo n ALA 135 Cb 0.66 0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.21 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 -1.02 0.00 -2.70 0.00 0.28 -1.26 -4.90 120.64 111.04 2klo n GLU 136 Ca 0.01 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 57.01 2klo n GLU 136 Cb 0.09 0.00 0.02 0.00 1.43 0.00 0.00 31.44 32.98 2klo n GLU 136 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2klo s GLY 137 N -2.93 -1.75 0.00 -1.84 0.00 -1.26 -5.10 107.32 94.44 2klo s GLY 137 Ca 0.00 1.07 0.05 0.00 0.00 0.00 0.00 44.72 45.84 2klo s GLY 137 CO 0.00 4.37 0.75 -0.10 0.00 0.00 0.00 173.10 178.12