#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 0.12 0.19 0.55 0.00 -1.26 -5.19 121.76 116.17 2klo s ALA 2 Ca 0.00 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 50.79 2klo s ALA 2 Cb 0.00 0.97 0.02 0.00 0.00 0.00 0.00 23.12 24.11 2klo s ALA 2 CO 0.00 -0.68 0.48 0.00 0.00 0.00 0.00 175.76 175.57 2klo s ALA 3 N -4.00 -0.83 0.51 0.00 0.00 -1.26 -5.18 121.76 111.00 2klo s ALA 3 Ca 0.21 -0.28 -0.09 0.00 0.00 0.00 0.00 51.96 51.80 2klo s ALA 3 Cb 0.03 0.84 -0.05 0.00 0.00 0.00 0.00 23.12 23.94 2klo s ALA 3 CO 0.03 -0.77 0.87 -1.54 0.00 0.00 0.00 175.76 174.35 2klo s SER 4 N -2.88 6.33 0.82 0.00 1.04 -1.26 -5.07 113.70 112.68 2klo s SER 4 Ca 0.10 1.16 -0.11 0.00 0.48 0.00 0.00 55.95 57.57 2klo s SER 4 Cb -0.00 -2.35 0.08 0.00 0.10 0.00 0.00 66.02 63.85 2klo s SER 4 CO -0.03 -0.62 1.09 -2.16 0.98 0.00 0.00 173.24 172.49 2klo s PRO 5 N -4.63 1.90 0.79 4.02 0.04 -1.26 -5.02 135.00 130.85 2klo s PRO 5 Ca 0.51 0.88 -0.11 0.00 0.04 0.00 0.00 61.00 62.33 2klo s PRO 5 Cb -0.10 -1.88 0.07 0.00 0.04 0.00 0.00 34.50 32.63 2klo s PRO 5 CO 0.44 -1.81 1.09 0.45 0.04 0.00 0.00 177.00 177.21 2klo s SER 6 N -3.57 4.32 -0.06 6.66 0.15 -1.26 -5.06 113.70 114.87 2klo s SER 6 Ca 0.62 1.80 -0.03 0.00 0.70 0.00 0.00 55.95 59.04 2klo s SER 6 Cb -0.16 -2.49 0.04 0.00 -1.71 0.00 0.00 66.02 61.70 2klo s SER 6 CO 0.56 -2.15 0.13 0.00 1.20 0.00 0.00 173.24 172.97 2klo s ALA 7 N -2.90 -0.13 -0.14 5.45 0.00 -1.26 -5.13 121.76 117.65 2klo s ALA 7 Ca 0.62 0.54 -0.04 0.00 0.00 0.00 0.00 51.96 53.08 2klo s ALA 7 Cb -0.17 -0.57 0.05 0.00 0.00 0.00 0.00 23.12 22.43 2klo s ALA 7 CO 0.56 -0.33 0.06 -0.51 0.00 0.00 0.00 175.76 175.55 2klo s LEU 8 N 1.65 0.56 0.15 0.00 1.02 -1.26 -5.15 118.68 115.65 2klo s LEU 8 Ca -0.03 -0.50 -0.03 0.00 0.02 0.00 0.00 54.13 53.59 2klo s LEU 8 Cb -0.12 -0.34 -0.03 0.00 0.02 0.00 0.00 46.19 45.72 2klo s LEU 8 CO -0.05 -0.30 0.12 -0.54 0.02 0.00 0.00 176.35 175.60 2klo s LYS 9 N 2.05 1.02 -0.51 1.70 1.02 -1.26 -5.13 119.74 118.63 2klo s LYS 9 Ca 0.02 -1.39 -0.07 0.00 0.02 0.00 0.00 55.97 54.56 2klo s LYS 9 Cb -0.15 0.28 0.13 0.00 -0.52 0.00 0.00 37.83 37.57 2klo s LYS 9 CO -0.07 -0.32 0.35 0.20 -0.92 0.00 0.00 175.35 174.59 2klo s GLY 10 N -3.04 2.15 0.09 -3.33 0.00 -1.26 -5.05 107.32 96.88 2klo s GLY 10 Ca 0.24 -2.72 -0.18 0.00 0.00 0.00 0.00 44.72 42.06 2klo s GLY 10 CO 0.02 1.10 0.43 0.54 0.00 0.00 0.00 173.10 175.19 2klo s VAL 11 N 0.97 0.06 -0.19 1.40 0.11 -1.26 -5.06 120.40 116.43 2klo s VAL 11 Ca 0.09 -0.47 0.15 0.00 -2.93 0.00 0.00 61.98 58.83 2klo s VAL 11 Cb -0.23 -1.07 0.46 0.00 -1.53 0.00 0.00 36.38 34.01 2klo s VAL 11 CO -0.03 -0.26 1.36 -1.54 -3.33 0.00 0.00 175.10 171.30 2klo n SER 12 N 0.07 3.13 -0.18 3.54 3.41 -1.26 -4.74 113.62 117.58 2klo n SER 12 Ca -0.17 -3.23 -0.02 0.00 -0.26 0.00 0.00 58.87 55.19 2klo n SER 12 Cb 0.62 -0.54 0.08 0.00 -0.26 0.00 0.00 64.21 64.12 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 1.16 0.34 -0.17 4.33 4.15 -1.99 -0.54 115.11 122.38 2klo h GLN 13 Ca 0.05 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.50 2klo h GLN 13 Cb 1.36 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.97 2klo h GLN 13 CO 0.19 0.22 0.14 0.00 -1.93 0.00 0.00 178.83 177.46 2klo h ALA 14 N 1.38 2.04 0.01 3.38 0.00 -1.99 0.22 119.26 124.30 2klo h ALA 14 Ca 0.27 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.97 2klo h ALA 14 Cb 0.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2klo h ALA 14 CO -0.29 -0.23 -0.91 -0.07 0.00 0.00 0.00 179.25 177.75 2klo h LEU 15 N 0.00 0.35 -0.12 0.00 4.07 -1.49 -2.55 115.31 115.56 2klo h LEU 15 Ca 0.08 -0.28 -0.14 0.00 0.08 0.00 0.00 57.88 57.62 2klo h LEU 15 Cb 0.36 -0.11 0.01 0.00 1.08 0.00 0.00 40.66 42.00 2klo h LEU 15 CO -0.00 1.09 -0.48 -0.07 -1.08 0.00 0.00 178.44 177.90 2klo h LEU 16 N 0.14 0.63 -0.72 1.67 4.07 -0.25 -3.24 115.31 117.61 2klo h LEU 16 Ca -0.06 -0.62 0.11 0.00 0.08 0.00 0.00 57.88 57.39 2klo h LEU 16 Cb 1.54 -0.18 -0.08 0.00 1.08 0.00 0.00 40.66 43.02 2klo h LEU 16 CO 0.14 1.15 0.32 -0.33 -1.08 0.00 0.00 178.44 178.64 2klo h GLU 17 N 0.15 0.50 0.00 1.13 4.39 -0.68 -0.61 114.58 119.47 2klo h GLU 17 Ca -0.03 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2klo h GLU 17 Cb 1.11 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 2klo h GLU 17 CO 0.10 0.33 0.00 0.54 -1.16 0.00 0.00 179.01 178.82 2klo n ARG 18 N -4.93 0.02 -0.16 2.33 1.74 -0.97 -3.42 116.66 111.28 2klo n ARG 18 Ca 0.12 0.42 0.20 0.00 -0.77 0.00 0.00 57.85 57.82 2klo n ARG 18 Cb 0.33 -1.56 0.58 0.00 -1.02 0.00 0.00 32.46 30.79 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 0.71 -0.18 0.55 2.04 -1.20 -0.14 117.51 119.28 2klo h ILE 19 Ca 0.00 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.82 2klo h ILE 19 Cb 0.10 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2klo h ILE 19 CO 0.00 0.05 0.14 0.08 0.00 0.00 0.00 178.15 178.42 2klo h ARG 20 N 0.26 0.00 0.00 2.37 -0.00 -1.80 -0.38 114.38 114.83 2klo h ARG 20 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.36 2klo h ARG 20 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.09 2klo h ARG 20 CO -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 179.97 179.88 2klo n ALA 21 N -2.52 2.44 0.25 0.08 0.00 -0.06 -3.88 120.51 116.82 2klo n ALA 21 Ca 0.01 -0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.41 2klo n ALA 21 Cb 0.28 -1.48 0.65 0.00 0.00 0.00 0.00 19.45 18.90 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 0.00 0.00 0.00 1.79 -1.17 -2.61 116.57 114.58 2klo h LYS 22 Ca 0.00 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.23 2klo h LYS 22 Cb 0.29 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.90 2klo h LYS 22 CO 0.00 0.10 -1.85 0.39 -1.08 0.00 0.00 179.45 177.01 2klo n GLU 23 N -4.13 0.65 0.26 3.15 1.02 -1.25 -4.29 120.64 116.04 2klo n GLU 23 Ca -0.03 0.12 0.16 0.00 -0.02 0.00 0.00 57.16 57.39 2klo n GLU 23 Cb 0.18 -1.68 0.72 0.00 -0.02 0.00 0.00 31.44 30.64 2klo n GLU 23 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2klo h VAL 24 N 0.00 0.09 -0.84 2.62 2.07 -1.64 -1.64 116.25 116.92 2klo h VAL 24 Ca -0.30 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.46 2klo h VAL 24 Cb 1.84 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 2klo h VAL 24 CO 0.04 0.00 0.67 0.06 0.02 0.00 0.00 177.57 178.37 2klo h GLN 25 N 0.00 0.00 -0.94 1.57 3.07 -1.75 0.38 115.11 117.45 2klo h GLN 25 Ca 0.06 0.00 0.10 0.00 0.09 0.00 0.00 58.65 58.90 2klo h GLN 25 Cb 0.96 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.45 2klo h GLN 25 CO -0.00 0.00 0.60 1.57 0.09 0.00 0.00 178.83 181.09 2klo h LYS 26 N 0.00 0.93 0.02 0.06 2.10 -1.63 -1.63 116.57 116.43 2klo h LYS 26 Ca 0.40 -0.06 -0.38 0.00 -2.00 0.00 0.00 60.65 58.62 2klo h LYS 26 Cb 1.74 -0.21 -0.06 0.00 -0.90 0.00 0.00 32.23 32.80 2klo h LYS 26 CO -0.00 0.62 -2.32 1.04 -2.00 0.00 0.00 179.45 176.78 2klo n GLN 27 N -4.55 0.68 0.28 0.07 1.13 -0.06 -4.47 117.38 110.46 2klo n GLN 27 Ca 0.16 0.15 0.13 0.00 -1.94 0.00 0.00 57.00 55.50 2klo n GLN 27 Cb 0.30 -1.57 0.82 0.00 0.11 0.00 0.00 30.24 29.89 2klo n GLN 27 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2klo h LEU 28 N 0.01 0.00 -0.59 1.08 7.12 -0.87 -2.75 115.31 119.31 2klo h LEU 28 Ca -0.53 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.48 2klo h LEU 28 Cb 2.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.13 2klo h LEU 28 CO -0.02 0.03 0.00 0.00 -0.13 0.00 0.00 178.44 178.32 2klo n ALA 29 N -2.37 2.52 -2.57 1.25 0.00 -0.63 -4.88 120.51 113.84 2klo n ALA 29 Ca -0.03 -0.21 -0.36 0.00 0.00 0.00 0.00 53.44 52.84 2klo n ALA 29 Cb 0.11 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.74 3.80 -0.20 0.00 6.06 -1.04 -5.08 118.95 120.74 2klo s ARG 30 Ca 0.08 0.25 -0.29 0.00 -2.50 0.00 0.00 55.73 53.26 2klo s ARG 30 Cb 0.04 -3.10 0.14 0.00 0.06 0.00 0.00 34.95 32.09 2klo s ARG 30 CO 0.05 0.63 1.08 0.00 -2.50 0.00 0.00 175.30 174.55 2klo s MET 31 N -1.52 0.48 -0.10 5.12 0.23 -1.26 -5.07 119.30 117.18 2klo s MET 31 Ca 0.28 0.17 0.14 0.00 -1.03 0.00 0.00 55.69 55.25 2klo s MET 31 Cb -0.15 0.23 0.22 0.00 -1.53 0.00 0.00 34.83 33.60 2klo s MET 31 CO 0.15 -0.14 1.11 -2.37 -2.03 0.00 0.00 175.02 171.75 2klo n THR 32 N 0.90 1.35 -0.70 3.16 5.66 -1.26 -5.09 114.28 118.29 2klo n THR 32 Ca -0.09 -1.69 -0.32 0.00 -3.05 0.00 0.00 64.05 58.91 2klo n THR 32 Cb 0.58 -0.01 0.16 0.00 -1.55 0.00 0.00 70.33 69.51 2klo n THR 32 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2klo n ARG 33 N -0.98 -0.79 0.18 1.09 1.74 -1.26 -4.98 116.66 111.66 2klo n ARG 33 Ca 0.12 -0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 2klo n ARG 33 Cb 0.67 -2.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 2klo n ARG 33 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2klo h PRO 35 N 0.00 0.00 -0.18 0.00 0.13 -2.05 -3.09 132.00 126.81 2klo h PRO 35 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 2klo h PRO 35 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2klo h PRO 35 CO 0.00 0.23 0.16 1.49 -0.23 0.00 0.00 178.00 179.65 2klo h GLU 36 N 0.00 0.00 0.00 0.86 4.81 -2.00 -2.23 114.58 116.03 2klo h GLU 36 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2klo h GLU 36 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2klo h GLU 36 CO 0.03 0.00 0.00 1.96 -0.73 0.00 0.00 179.01 180.27 2klo h GLN 37 N 0.00 0.00 -0.53 1.92 7.50 -1.92 -3.15 115.11 118.93 2klo h GLN 37 Ca 0.09 0.00 0.11 0.00 0.50 0.00 0.00 58.65 59.34 2klo h GLN 37 Cb 0.41 0.00 -0.09 0.00 0.05 0.00 0.00 27.48 27.84 2klo h GLN 37 CO -0.00 0.00 -0.05 1.05 -1.50 0.00 0.00 178.83 178.33 2klo h GLU 38 N 0.00 0.07 -0.47 1.46 4.11 -1.65 0.18 114.58 118.28 2klo h GLU 38 Ca 0.00 -0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.35 2klo h GLU 38 Cb 0.10 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2klo h GLU 38 CO 0.00 0.05 -0.01 -0.07 0.07 0.00 0.00 179.01 179.05 2klo h LEU 39 N 0.07 0.76 -0.14 3.06 3.38 -1.80 -0.48 115.31 120.16 2klo h LEU 39 Ca 0.27 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 2klo h LEU 39 Cb 0.41 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2klo h LEU 39 CO -0.48 0.83 -0.35 0.03 0.09 0.00 0.00 178.44 178.56 2klo h ARG 40 N 0.74 0.48 -0.29 1.13 2.47 -1.41 -2.58 114.38 114.93 2klo h ARG 40 Ca 0.14 -0.33 -0.01 0.00 -1.26 0.00 0.00 59.98 58.52 2klo h ARG 40 Cb 0.46 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 2klo h ARG 40 CO 0.02 0.95 0.14 -0.07 0.56 0.00 0.00 179.97 181.57 2klo h LEU 41 N 0.09 0.37 -0.58 3.04 3.38 -0.83 -0.31 115.31 120.47 2klo h LEU 41 Ca -0.00 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.91 2klo h LEU 41 Cb 0.96 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 2klo h LEU 41 CO 0.08 0.38 0.30 -0.61 0.09 0.00 0.00 178.44 178.68 2klo h GLN 42 N 0.33 0.56 -0.47 1.13 5.75 -1.13 0.82 115.11 122.10 2klo h GLN 42 Ca 0.10 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.51 2klo h GLN 42 Cb 0.10 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 2klo h GLN 42 CO -0.01 0.37 0.09 0.00 -2.65 0.00 0.00 178.83 176.62 2klo h ARG 43 N 0.57 0.77 0.00 1.69 3.08 -1.14 -2.78 114.38 116.58 2klo h ARG 43 Ca 0.26 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2klo h ARG 43 Cb 0.17 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 2klo h ARG 43 CO -0.18 0.78 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.40 2klo h LEU 44 N 0.64 0.00 -2.02 3.04 3.38 0.02 -2.60 115.31 117.77 2klo h LEU 44 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2klo h LEU 44 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2klo h LEU 44 CO 0.01 0.03 -0.03 -0.33 0.09 0.00 0.00 178.44 178.21 2klo h GLU 45 N 0.00 0.00 0.00 1.13 4.39 -0.58 -2.13 114.58 117.39 2klo h GLU 45 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2klo h GLU 45 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2klo h GLU 45 CO 0.00 0.03 0.00 -2.13 -1.16 0.00 0.00 179.01 175.76 2klo n ARG 46 N -3.21 0.23 0.42 2.33 0.63 -0.98 -3.14 116.66 112.95 2klo n ARG 46 Ca -0.01 0.29 -0.17 0.00 -0.92 0.00 0.00 57.85 57.03 2klo n ARG 46 Cb 0.22 -1.82 -0.08 0.00 0.45 0.00 0.00 32.46 31.23 2klo n ARG 46 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2klo h LEU 47 N 0.00 -0.93 -1.75 6.15 3.38 -1.56 -0.98 115.31 119.62 2klo h LEU 47 Ca 0.00 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2klo h LEU 47 Cb 0.60 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2klo h LEU 47 CO 0.00 -0.57 -0.16 1.55 0.09 0.00 0.00 178.44 179.34 2klo h PRO 48 N -1.27 0.00 1.01 1.13 0.13 -1.75 -2.38 132.00 128.87 2klo h PRO 48 Ca -0.11 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.97 2klo h PRO 48 Cb 0.85 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.99 2klo h PRO 48 CO 0.18 0.16 -0.48 1.49 -0.23 0.00 0.00 178.00 179.12 2klo h GLU 49 N 0.00 -1.31 -0.56 0.86 4.57 -1.45 0.59 114.58 117.28 2klo h GLU 49 Ca -0.00 0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2klo h GLU 49 Cb 0.39 0.30 -0.03 0.00 -0.16 0.00 0.00 28.75 29.25 2klo h GLU 49 CO 0.02 -0.87 0.33 -0.07 -1.18 0.00 0.00 179.01 177.24 2klo h LEU 50 N -1.36 0.68 -0.08 1.64 -0.00 -1.11 0.13 115.31 115.22 2klo h LEU 50 Ca -0.14 -0.07 0.03 0.00 -0.00 0.00 0.00 57.88 57.70 2klo h LEU 50 Cb 1.04 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 41.50 2klo h LEU 50 CO 0.23 0.55 -0.09 0.00 -0.00 0.00 0.00 178.44 179.13 2klo h ALA 51 N 1.16 -0.03 0.15 1.53 0.00 -1.34 0.12 119.26 120.85 2klo h ALA 51 Ca 0.20 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2klo h ALA 51 Cb 0.01 0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2klo h ALA 51 CO -0.04 -0.55 -0.07 0.00 0.00 0.00 0.00 179.25 178.59 2klo h ARG 52 N -0.11 -0.19 -0.36 0.00 3.08 -0.68 -2.40 114.38 113.72 2klo h ARG 52 Ca 0.06 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.16 2klo h ARG 52 Cb 0.20 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 2klo h ARG 52 CO -0.15 0.08 0.16 0.28 -1.07 0.00 0.00 179.97 179.27 2klo h VAL 53 N -0.45 0.94 -0.10 2.04 2.07 -0.88 -1.28 116.25 118.59 2klo h VAL 53 Ca -0.02 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.43 2klo h VAL 53 Cb 0.35 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 2klo h VAL 53 CO 0.03 0.06 -0.26 0.25 0.02 0.00 0.00 177.57 177.67 2klo h LEU 54 N 0.33 -0.81 -1.15 2.57 6.46 -0.76 -0.05 115.31 121.90 2klo h LEU 54 Ca 0.16 0.12 0.07 0.00 -0.12 0.00 0.00 57.88 58.11 2klo h LEU 54 Cb 0.10 0.35 -0.06 0.00 -0.73 0.00 0.00 40.66 40.32 2klo h LEU 54 CO -0.13 -0.32 0.59 -0.09 -0.62 0.00 0.00 178.44 177.87 2klo h ARG 55 N -0.35 0.99 -0.48 1.25 2.43 -1.14 -1.19 114.38 115.88 2klo h ARG 55 Ca 0.09 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 2klo h ARG 55 Cb 0.48 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2klo h ARG 55 CO -0.30 0.65 0.22 -0.97 -1.51 0.00 0.00 179.97 178.07 2klo h ASN 56 N 1.02 0.64 0.26 -3.80 -1.24 0.08 -0.87 115.58 111.67 2klo h ASN 56 Ca 0.39 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.25 2klo h ASN 56 Cb 0.21 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.10 2klo h ASN 56 CO -0.15 0.61 -0.12 0.58 -1.29 0.00 0.00 177.43 177.05 2klo h VAL 57 N 0.64 0.78 -0.09 2.57 2.07 0.11 -0.62 116.25 121.71 2klo h VAL 57 Ca 0.17 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.47 2klo h VAL 57 Cb 0.14 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2klo h VAL 57 CO -0.02 0.05 0.04 -0.26 0.02 0.00 0.00 177.57 177.40 2klo h PHE 58 N -0.46 0.08 0.00 1.57 -1.00 -1.33 0.26 116.94 116.07 2klo h PHE 58 Ca -0.04 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.73 2klo h PHE 58 Cb 0.35 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 39.88 2klo h PHE 58 CO -0.03 0.05 -0.10 -0.24 -1.61 0.00 0.00 178.31 176.38 2klo h VAL 59 N 0.10 0.72 0.00 -0.55 3.04 -1.10 -2.08 116.25 116.37 2klo h VAL 59 Ca 0.04 -0.40 -0.17 0.00 -1.01 0.00 0.00 66.70 65.15 2klo h VAL 59 Cb 0.01 1.24 -0.03 0.00 -2.01 0.00 0.00 31.29 30.50 2klo h VAL 59 CO -0.03 0.10 -1.01 -1.28 -1.01 0.00 0.00 177.57 174.34 2klo h SER 60 N 0.00 0.00 0.60 3.17 0.87 -0.09 -3.31 113.55 114.79 2klo h SER 60 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2klo h SER 60 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2klo h SER 60 CO 0.01 0.73 0.00 1.21 -0.53 0.00 0.00 176.83 178.25 2klo n GLU 61 N -3.16 0.07 -0.62 2.24 4.07 0.84 -4.89 120.64 119.18 2klo n GLU 61 Ca -0.04 0.31 0.00 0.00 -0.06 0.00 0.00 57.16 57.37 2klo n GLU 61 Cb 0.86 -1.64 0.00 0.00 -0.06 0.00 0.00 31.44 30.60 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 -1.77 -0.02 -4.34 5.31 0.63 -1.21 -4.94 116.66 110.32 2klo n ARG 62 Ca 0.03 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.77 2klo n ARG 62 Cb 0.20 -4.04 -0.16 0.00 0.45 0.00 0.00 32.46 28.92 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 -0.77 0.92 0.00 -0.14 -2.85 -1.26 -5.04 119.74 110.60 2klo s LYS 63 Ca 0.00 -0.27 0.30 0.00 -1.00 0.00 0.00 55.97 55.00 2klo s LYS 63 Cb 0.00 -0.86 1.38 0.00 -2.06 0.00 0.00 37.83 36.29 2klo s LYS 63 CO 0.00 0.08 1.95 -0.35 0.10 0.00 0.00 175.35 177.13 2klo n PRO 64 N 3.39 0.68 -4.06 1.78 -0.04 -1.26 -4.73 135.00 130.76 2klo n PRO 64 Ca -0.19 -0.16 -0.33 0.00 -0.04 0.00 0.00 63.50 62.77 2klo n PRO 64 Cb 0.54 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.35 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 -2.44 2.47 -0.06 0.55 0.00 -1.26 -2.61 121.76 118.42 2klo s ALA 65 Ca 0.31 -1.27 0.05 0.00 0.00 0.00 0.00 51.96 51.05 2klo s ALA 65 Cb 0.20 -1.35 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 2klo s ALA 65 CO 0.46 -0.47 -0.21 -0.51 0.00 0.00 0.00 175.76 175.02 2klo s LEU 66 N 1.32 2.30 0.56 0.00 2.01 -0.12 -4.96 118.68 119.79 2klo s LEU 66 Ca 0.04 -0.40 -0.18 0.00 0.01 0.00 0.00 54.13 53.60 2klo s LEU 66 Cb -0.14 -1.44 -0.05 0.00 0.01 0.00 0.00 46.19 44.57 2klo s LEU 66 CO -0.10 0.28 1.08 -0.89 1.01 0.00 0.00 176.35 177.73 2klo s THR 67 N -0.34 3.54 0.18 5.49 2.01 -1.26 -0.51 115.64 124.76 2klo s THR 67 Ca 0.02 0.84 -0.14 0.00 0.31 0.00 0.00 61.69 62.73 2klo s THR 67 Cb -0.12 -3.33 0.12 0.00 0.01 0.00 0.00 72.50 69.18 2klo s THR 67 CO 0.02 -0.32 1.69 -0.03 -0.69 0.00 0.00 174.62 175.29 2klo h MET 68 N 0.84 0.14 -0.67 4.92 4.05 -1.41 -1.44 114.93 121.36 2klo h MET 68 Ca -0.48 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 58.92 2klo h MET 68 Cb 1.24 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.97 2klo h MET 68 CO 0.57 0.09 0.37 1.49 0.23 0.00 0.00 176.91 179.66 2klo h GLU 69 N 0.14 0.93 0.50 0.39 4.81 -1.92 -0.62 114.58 118.81 2klo h GLU 69 Ca 0.24 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2klo h GLU 69 Cb 0.36 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2klo h GLU 69 CO -0.38 0.68 -0.24 0.28 -0.73 0.00 0.00 179.01 178.62 2klo h VAL 70 N 0.94 0.31 0.00 0.32 2.07 -1.66 -2.65 116.25 115.58 2klo h VAL 70 Ca 0.24 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2klo h VAL 70 Cb 0.02 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2klo h VAL 70 CO -0.04 0.05 -0.06 1.62 0.02 0.00 0.00 177.57 179.16 2klo h VAL 71 N -1.03 0.88 0.23 2.57 3.04 -1.30 -2.29 116.25 118.34 2klo h VAL 71 Ca -0.07 -0.23 -0.01 0.00 -1.01 0.00 0.00 66.70 65.38 2klo h VAL 71 Cb 0.60 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 2klo h VAL 71 CO 0.11 0.06 -0.11 0.00 -1.01 0.00 0.00 177.57 176.63 2klo h ALA 73 N -1.83 2.11 -0.70 0.00 0.00 -1.39 -0.25 119.26 117.20 2klo h ALA 73 Ca -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2klo h ALA 73 Cb 0.23 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2klo h ALA 73 CO 0.05 -0.29 0.30 0.00 0.00 0.00 0.00 179.25 179.31 2klo h ARG 74 N 0.38 1.03 0.08 0.00 2.47 -1.33 0.52 114.38 117.52 2klo h ARG 74 Ca 0.33 -0.16 -0.21 0.00 -1.26 0.00 0.00 59.98 58.68 2klo h ARG 74 Cb 0.77 -0.18 0.02 0.00 -1.65 0.00 0.00 29.97 28.93 2klo h ARG 74 CO -0.10 0.82 -0.88 0.52 0.56 0.00 0.00 179.97 180.89 2klo h MET 75 N 1.01 0.46 -0.75 0.04 2.86 -0.40 -3.15 114.93 115.00 2klo h MET 75 Ca 0.24 -0.60 0.09 0.00 -2.06 0.00 0.00 59.70 57.37 2klo h MET 75 Cb 0.17 0.20 -0.07 0.00 0.06 0.00 0.00 31.60 31.95 2klo h MET 75 CO -0.02 1.24 0.40 0.28 1.06 0.00 0.00 176.91 179.87 2klo h VAL 76 N -0.03 0.88 -0.19 -2.22 2.07 -0.89 0.13 116.25 115.99 2klo h VAL 76 Ca -0.13 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 2klo h VAL 76 Cb 1.61 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2klo h VAL 76 CO 0.17 0.12 0.03 -0.78 0.02 0.00 0.00 177.57 177.13 2klo h ASP 77 N 0.68 0.24 0.23 0.57 3.58 -0.96 -1.54 116.42 119.22 2klo h ASP 77 Ca 0.36 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.79 2klo h ASP 77 Cb 0.35 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.33 2klo h ASP 77 CO -0.25 0.26 0.00 -1.20 -2.88 0.00 0.00 179.24 175.17 2klo n SER 78 N -4.41 0.00 0.00 2.28 7.64 0.03 -2.60 113.62 116.56 2klo n SER 78 Ca -0.00 0.38 0.05 0.00 1.01 0.00 0.00 58.87 60.31 2klo n SER 78 Cb 0.16 -0.42 0.24 0.00 -1.01 0.00 0.00 64.21 63.17 2klo n SER 78 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2klo n GLN 80 N -1.48 0.61 0.00 0.00 6.02 -1.07 -1.51 117.38 119.95 2klo n GLN 80 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 2klo n GLN 80 Cb 0.13 -1.19 0.00 0.00 1.02 0.00 0.00 30.24 30.19 2klo n GLN 80 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2klo n THR 81 N 0.70 0.00 -1.99 5.09 5.66 -1.23 -5.10 114.28 117.42 2klo n THR 81 Ca 0.00 -0.27 -0.00 0.00 -3.05 0.00 0.00 64.05 60.72 2klo n THR 81 Cb 0.31 0.82 0.00 0.00 -1.55 0.00 0.00 70.33 69.90 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 -0.90 -3.19 -2.21 1.79 0.00 -0.57 -5.13 120.51 110.30 2klo n ALA 82 Ca 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 53.44 53.54 2klo n ALA 82 Cb 0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.70 1.43 0.60 0.00 0.05 -1.26 -5.15 118.68 113.65 2klo s LEU 83 Ca 0.00 -1.28 -0.15 0.00 0.05 0.00 0.00 54.13 52.76 2klo s LEU 83 Cb -0.00 0.39 -0.04 0.00 -2.05 0.00 0.00 46.19 44.49 2klo s LEU 83 CO 0.31 -0.79 1.04 -0.44 -0.55 0.00 0.00 176.35 175.92 2klo s SER 84 N -3.10 5.90 0.12 1.48 0.01 -1.26 -4.99 113.70 111.86 2klo s SER 84 Ca 0.31 1.72 -0.15 0.00 1.31 0.00 0.00 55.95 59.14 2klo s SER 84 Cb 0.07 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.75 2klo s SER 84 CO 0.07 -1.08 1.58 1.55 0.41 0.00 0.00 173.24 175.76 2klo h PRO 85 N 0.32 0.66 0.00 12.44 0.13 -2.02 -2.93 132.00 140.60 2klo h PRO 85 Ca -0.46 -0.20 -0.04 0.00 -0.87 0.00 0.00 66.00 64.43 2klo h PRO 85 Cb 1.21 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2klo h PRO 85 CO 0.58 0.74 -0.20 0.78 -0.23 0.00 0.00 178.00 179.67 2klo h GLY 86 N 0.49 0.00 1.86 1.56 0.00 -2.01 -3.14 103.07 101.84 2klo h GLY 86 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.34 2klo h GLY 86 CO 0.01 0.00 -0.43 0.83 0.00 0.00 0.00 176.54 176.96 2klo h GLU 87 N 0.00 0.15 -0.08 4.80 3.07 -1.91 -1.44 114.58 119.16 2klo h GLU 87 Ca -0.00 -0.07 0.01 0.00 -0.50 0.00 0.00 59.36 58.79 2klo h GLU 87 Cb 1.05 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.95 2klo h GLU 87 CO 0.03 0.56 0.02 1.98 -1.40 0.00 0.00 179.01 180.20 2klo h MET 88 N 0.13 0.06 -0.24 2.33 4.05 -1.48 0.31 114.93 120.09 2klo h MET 88 Ca 0.01 -0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.45 2klo h MET 88 Cb 0.81 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.57 2klo h MET 88 CO 0.06 0.04 0.10 0.93 0.23 0.00 0.00 176.91 178.27 2klo h GLU 89 N 0.06 0.21 -0.53 0.39 5.08 -1.61 -1.71 114.58 116.47 2klo h GLU 89 Ca 0.04 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 2klo h GLU 89 Cb 0.02 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 2klo h GLU 89 CO -0.04 0.14 0.35 0.87 -1.00 0.00 0.00 179.01 179.33 2klo h LYS 90 N 0.21 0.54 -0.26 2.33 1.57 -0.76 -1.50 116.57 118.71 2klo h LYS 90 Ca 0.10 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.71 2klo h LYS 90 Cb 0.06 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2klo h LYS 90 CO -0.09 0.36 -0.41 1.25 -0.57 0.00 0.00 179.45 179.99 2klo h HIS 91 N 0.56 0.72 -0.16 -1.35 2.76 -0.04 0.26 115.15 117.89 2klo h HIS 91 Ca 0.22 -0.21 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 2klo h HIS 91 Cb 0.17 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 28.97 2klo h HIS 91 CO -0.00 0.92 -0.06 -0.07 -1.30 0.00 0.00 177.93 177.41 2klo h LEU 92 N 0.50 0.34 -0.37 0.26 3.38 -0.83 -1.56 115.31 117.03 2klo h LEU 92 Ca 0.04 -0.40 -0.13 0.00 0.09 0.00 0.00 57.88 57.49 2klo h LEU 92 Cb 0.92 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2klo h LEU 92 CO 0.08 0.66 -0.26 1.62 0.09 0.00 0.00 178.44 180.63 2klo h VAL 93 N 0.02 1.28 0.31 1.22 3.04 -1.29 -2.64 116.25 118.19 2klo h VAL 93 Ca 0.04 -1.41 0.00 0.00 -1.01 0.00 0.00 66.70 64.32 2klo h VAL 93 Cb 0.53 1.37 -0.03 0.00 -2.01 0.00 0.00 31.29 31.15 2klo h VAL 93 CO 0.02 0.47 -0.46 0.25 -1.01 0.00 0.00 177.57 176.84 2klo h LEU 94 N 0.63 -1.31 -0.15 3.16 5.85 -0.90 0.81 115.31 123.40 2klo h LEU 94 Ca 0.07 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.95 2klo h LEU 94 Cb 0.83 0.46 -0.04 0.00 0.37 0.00 0.00 40.66 42.28 2klo h LEU 94 CO 0.07 -0.58 -0.09 0.25 -0.34 0.00 0.00 178.44 177.75 2klo h LEU 95 N -0.83 -0.29 -0.99 2.25 5.85 -1.34 -2.37 115.31 117.59 2klo h LEU 95 Ca -0.02 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 2klo h LEU 95 Cb 0.77 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 2klo h LEU 95 CO -0.15 -0.12 -0.07 0.00 -0.34 0.00 0.00 178.44 177.76 2klo h ALA 96 N 1.03 1.16 -0.27 1.25 0.00 -1.33 -1.43 119.26 119.67 2klo h ALA 96 Ca 0.09 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2klo h ALA 96 Cb 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2klo h ALA 96 CO -0.20 0.54 -0.30 1.49 0.00 0.00 0.00 179.25 180.77 2klo h GLU 97 N 0.61 0.57 0.00 0.00 4.57 -0.45 -0.51 114.58 119.36 2klo h GLU 97 Ca 0.11 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 2klo h GLU 97 Cb 0.48 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2klo h GLU 97 CO 0.03 0.81 -0.73 -0.07 -1.18 0.00 0.00 179.01 177.86 2klo h LEU 98 N 0.49 0.00 -5.53 1.64 4.07 -1.37 -3.38 115.31 111.24 2klo h LEU 98 Ca 0.06 -0.23 -0.52 0.00 0.08 0.00 0.00 57.88 57.27 2klo h LEU 98 Cb 0.77 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 42.10 2klo h LEU 98 CO 0.06 0.12 -0.95 0.18 -1.08 0.00 0.00 178.44 176.77 2klo n LEU 99 N -2.12 2.57 0.15 1.67 4.77 -0.55 -4.90 117.00 118.60 2klo n LEU 99 Ca 0.03 -5.16 0.02 0.00 -0.03 0.00 0.00 56.01 50.86 2klo n LEU 99 Cb 0.45 0.12 0.35 0.00 -2.33 0.00 0.00 43.42 42.00 2klo n LEU 99 CO 0.37 2.25 0.76 1.55 -1.33 0.00 0.00 177.39 180.99 2klo h PRO 100 N 2.96 0.11 -0.00 3.23 0.13 -1.28 -1.15 132.00 136.01 2klo h PRO 100 Ca 0.11 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2klo h PRO 100 Cb 0.81 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2klo h PRO 100 CO 0.65 0.41 -0.02 -3.47 -0.23 0.00 0.00 178.00 175.34 2klo n ASP 101 N -4.14 0.08 -0.09 1.44 2.03 -1.26 -3.78 116.55 110.82 2klo n ASP 101 Ca -0.02 -0.26 -0.12 0.00 0.52 0.00 0.00 54.79 54.92 2klo n ASP 101 Cb 0.38 -0.23 -0.04 0.00 -0.72 0.00 0.00 41.12 40.50 2klo n ASP 101 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 2klo n TRP 102 N -1.22 0.34 -3.72 -0.67 -0.00 -0.54 -4.80 117.44 106.82 2klo n TRP 102 Ca 0.15 0.15 -0.37 0.00 -0.00 0.00 0.00 57.50 57.43 2klo n TRP 102 Cb 0.24 -0.70 -0.11 0.00 -0.00 0.00 0.00 31.31 30.74 2klo n TRP 102 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2klo s LEU 103 N -7.93 3.79 0.07 5.87 1.43 -0.55 -2.78 118.68 118.59 2klo s LEU 103 Ca -0.27 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 2klo s LEU 103 Cb 0.05 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 2klo s LEU 103 CO 0.39 0.01 -0.06 -0.44 0.23 0.00 0.00 176.35 176.48 2klo s SER 104 N 1.40 0.95 0.18 2.29 0.01 -0.83 -4.52 113.70 113.19 2klo s SER 104 Ca 0.06 -0.86 0.07 0.00 1.31 0.00 0.00 55.95 56.54 2klo s SER 104 Cb -0.15 0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 2klo s SER 104 CO 0.06 -0.40 -0.15 -1.48 0.41 0.00 0.00 173.24 171.68 2klo s LEU 105 N -2.56 2.51 -0.12 2.44 0.05 -1.26 -0.52 118.68 119.22 2klo s LEU 105 Ca 0.04 -0.96 -0.04 0.00 0.05 0.00 0.00 54.13 53.22 2klo s LEU 105 Cb 0.01 -0.66 0.05 0.00 -2.05 0.00 0.00 46.19 43.53 2klo s LEU 105 CO -0.04 -0.15 0.10 -1.00 -0.55 0.00 0.00 176.35 174.71 2klo s HIS 106 N -2.69 0.07 -0.39 3.48 3.76 0.06 -4.97 115.29 114.61 2klo s HIS 106 Ca 0.19 0.02 -0.21 0.00 -0.15 0.00 0.00 55.06 54.90 2klo s HIS 106 Cb -0.02 -0.55 0.01 0.00 1.11 0.00 0.00 32.58 33.13 2klo s HIS 106 CO 0.06 -0.40 0.66 0.50 -0.85 0.00 0.00 174.74 174.71 2klo s ARG 107 N 2.18 3.55 0.08 1.40 3.00 -1.26 -1.49 118.95 126.41 2klo s ARG 107 Ca 0.04 -0.07 0.04 0.00 -1.00 0.00 0.00 55.73 54.73 2klo s ARG 107 Cb -0.14 -3.86 -0.04 0.00 0.00 0.00 0.00 34.95 30.91 2klo s ARG 107 CO -0.07 -0.85 0.03 0.42 0.00 0.00 0.00 175.30 174.83 2klo s ILE 108 N 2.81 4.23 0.57 4.11 -1.09 0.11 -4.99 121.20 126.95 2klo s ILE 108 Ca 0.25 -0.89 0.32 0.00 -2.23 0.00 0.00 60.65 58.10 2klo s ILE 108 Cb -0.14 -3.02 0.46 0.00 -1.58 0.00 0.00 42.46 38.18 2klo s ILE 108 CO 0.17 0.13 1.81 0.08 -1.23 0.00 0.00 174.94 175.89 2klo h ARG 109 N 3.41 0.00 0.12 2.79 0.11 -2.04 -0.44 114.38 118.32 2klo h ARG 109 Ca -0.47 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.27 2klo h ARG 109 Cb 1.16 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.23 2klo h ARG 109 CO 0.62 0.00 -1.81 0.00 0.10 0.00 0.00 179.97 178.88 2klo h THR 110 N 0.00 0.83 -1.66 0.08 1.03 -2.01 -3.50 112.91 107.67 2klo h THR 110 Ca 0.40 -2.52 0.32 0.00 -0.01 0.00 0.00 66.41 64.60 2klo h THR 110 Cb 1.82 2.60 -0.10 0.00 -1.07 0.00 0.00 68.15 71.40 2klo h THR 110 CO -0.00 0.82 0.82 -0.62 -0.01 0.00 0.00 175.52 176.52 2klo s ASP 111 N -6.95 -0.05 -0.08 0.00 -1.08 -0.18 -5.17 116.67 103.17 2klo s ASP 111 Ca -0.16 -0.18 -0.05 0.00 -0.52 0.00 0.00 52.55 51.64 2klo s ASP 111 Cb 0.07 0.19 -0.04 0.00 -1.46 0.00 0.00 42.92 41.67 2klo s ASP 111 CO 0.81 -0.35 0.14 -0.89 0.52 0.00 0.00 175.17 175.40 2klo s THR 112 N -2.37 5.39 0.13 1.71 2.01 -1.26 -0.71 115.64 120.54 2klo s THR 112 Ca 0.17 0.05 -0.04 0.00 0.31 0.00 0.00 61.69 62.18 2klo s THR 112 Cb 0.03 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 2klo s THR 112 CO -0.03 0.52 0.14 -0.31 -0.69 0.00 0.00 174.62 174.25 2klo s TYR 113 N -1.12 0.64 0.03 4.92 1.51 -0.55 -1.00 117.35 121.77 2klo s TYR 113 Ca 0.19 -1.02 0.06 0.00 -1.01 0.00 0.00 57.07 55.28 2klo s TYR 113 Cb -0.12 -0.30 -0.02 0.00 -0.11 0.00 0.00 41.96 41.40 2klo s TYR 113 CO 0.09 -0.58 -0.16 0.08 -1.11 0.00 0.00 175.55 173.86 2klo s VAL 114 N -4.00 1.31 0.02 0.71 1.01 0.34 -0.76 120.40 119.02 2klo s VAL 114 Ca 0.19 -0.99 0.07 0.00 0.00 0.00 0.00 61.98 61.25 2klo s VAL 114 Cb 0.06 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 2klo s VAL 114 CO -0.00 0.14 -0.20 -0.54 0.00 0.00 0.00 175.10 174.49 2klo s LYS 115 N -0.99 2.10 -0.03 2.72 1.02 0.33 -0.95 119.74 123.93 2klo s LYS 115 Ca 0.04 -0.95 -0.01 0.00 0.02 0.00 0.00 55.97 55.07 2klo s LYS 115 Cb -0.08 -2.16 0.03 0.00 -0.52 0.00 0.00 37.83 35.10 2klo s LYS 115 CO 0.01 0.55 0.05 -1.17 -0.92 0.00 0.00 175.35 173.87 2klo s LEU 116 N -1.18 0.50 -0.78 3.17 2.96 -1.07 -1.96 118.68 120.32 2klo s LEU 116 Ca 0.13 0.07 -0.19 0.00 -0.22 0.00 0.00 54.13 53.92 2klo s LEU 116 Cb -0.10 -0.10 0.12 0.00 0.50 0.00 0.00 46.19 46.61 2klo s LEU 116 CO 0.03 -0.20 0.94 -1.81 -1.32 0.00 0.00 176.35 173.99 2klo s ASP 117 N 1.74 6.44 0.00 3.68 1.01 -1.12 -4.85 116.67 123.58 2klo s ASP 117 Ca -0.01 -1.77 0.13 0.00 0.71 0.00 0.00 52.55 51.61 2klo s ASP 117 Cb -0.12 -2.35 0.62 0.00 1.01 0.00 0.00 42.92 42.07 2klo s ASP 117 CO -0.03 -1.09 1.32 0.29 0.21 0.00 0.00 175.17 175.88 2klo n LYS 118 N 6.38 0.16 0.17 8.23 4.01 -1.26 -2.29 118.16 133.56 2klo n LYS 118 Ca 0.09 0.18 0.03 0.00 -0.51 0.00 0.00 58.31 58.10 2klo n LYS 118 Cb 0.46 -1.50 0.29 0.00 -0.51 0.00 0.00 35.03 33.77 2klo n LYS 118 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2klo h ALA 119 N 2.57 1.02 -2.91 7.82 0.00 -2.00 -3.46 119.26 122.30 2klo h ALA 119 Ca 0.00 -0.41 -0.53 0.00 0.00 0.00 0.00 54.91 53.97 2klo h ALA 119 Cb 0.13 -0.07 0.09 0.00 0.00 0.00 0.00 17.79 17.93 2klo h ALA 119 CO 0.00 0.56 0.69 0.08 0.00 0.00 0.00 179.25 180.58 2klo s VAL 120 N -3.66 2.42 -0.71 0.00 1.01 -0.97 -4.88 120.40 113.61 2klo s VAL 120 Ca -0.01 0.41 -0.26 0.00 0.00 0.00 0.00 61.98 62.13 2klo s VAL 120 Cb 0.12 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 2klo s VAL 120 CO 0.71 0.09 1.98 -1.81 0.00 0.00 0.00 175.10 176.07 2klo s ASP 121 N -0.39 5.06 0.49 3.32 1.01 -1.26 -4.84 116.67 120.06 2klo s ASP 121 Ca 0.52 0.06 0.27 0.00 0.71 0.00 0.00 52.55 54.12 2klo s ASP 121 Cb -0.42 -2.54 1.35 0.00 1.01 0.00 0.00 42.92 42.32 2klo s ASP 121 CO 0.57 -2.64 1.84 0.25 0.21 0.00 0.00 175.17 175.39 2klo h LEU 122 N 17.58 0.17 -0.13 1.23 7.12 -1.91 -2.32 115.31 137.07 2klo h LEU 122 Ca -0.13 0.03 0.03 0.00 0.13 0.00 0.00 57.88 57.94 2klo h LEU 122 Cb 1.11 -0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 41.18 2klo h LEU 122 CO 1.20 0.05 -0.52 0.00 -0.13 0.00 0.00 178.44 179.03 2klo h ALA 123 N 1.54 -0.84 0.00 1.25 0.00 -2.00 0.88 119.26 120.10 2klo h ALA 123 Ca 0.51 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.32 2klo h ALA 123 Cb 1.71 0.96 -0.01 0.00 0.00 0.00 0.00 17.79 20.46 2klo h ALA 123 CO -0.10 -1.06 -0.23 0.78 0.00 0.00 0.00 179.25 178.63 2klo h GLY 124 N -0.57 0.00 0.64 0.00 0.00 -1.83 -2.44 103.07 98.86 2klo h GLY 124 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 2klo h GLY 124 CO -0.43 0.00 -0.19 1.41 0.00 0.00 0.00 176.54 177.33 2klo h LEU 125 N 0.00 -0.46 -1.74 3.11 3.38 -1.13 -1.30 115.31 117.18 2klo h LEU 125 Ca -0.00 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.88 2klo h LEU 125 Cb 0.59 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2klo h LEU 125 CO 0.03 -0.07 0.24 0.74 0.09 0.00 0.00 178.44 179.47 2klo h THR 126 N -0.91 1.01 0.65 0.22 2.02 -0.81 -0.56 112.91 114.53 2klo h THR 126 Ca -0.06 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 2klo h THR 126 Cb 0.55 0.63 0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2klo h THR 126 CO 0.09 0.06 -0.31 0.00 0.37 0.00 0.00 175.52 175.73 2klo h ALA 127 N 1.80 -0.99 -0.94 6.16 0.00 -1.32 -2.49 119.26 121.47 2klo h ALA 127 Ca 0.15 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.92 2klo h ALA 127 Cb 0.15 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 2klo h ALA 127 CO -0.03 -0.93 0.61 0.07 0.00 0.00 0.00 179.25 178.98 2klo h ARG 128 N -1.08 1.08 0.65 0.00 0.11 -1.09 -2.41 114.38 111.64 2klo h ARG 128 Ca -0.09 -0.06 -0.02 0.00 0.10 0.00 0.00 59.98 59.90 2klo h ARG 128 Cb 0.67 -0.24 -0.01 0.00 1.11 0.00 0.00 29.97 31.49 2klo h ARG 128 CO 0.15 0.71 -0.50 1.25 0.10 0.00 0.00 179.97 181.68 2klo h LEU 129 N 1.11 -1.32 -1.75 0.08 5.85 -1.12 -2.75 115.31 115.41 2klo h LEU 129 Ca 0.40 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 59.18 2klo h LEU 129 Cb 0.15 0.41 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 2klo h LEU 129 CO -0.15 -0.71 -0.17 0.00 -0.34 0.00 0.00 178.44 177.07 2klo h ALA 130 N -1.05 1.38 0.00 1.25 0.00 -1.32 -2.70 119.26 116.81 2klo h ALA 130 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2klo h ALA 130 Cb 0.92 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2klo h ALA 130 CO 0.02 0.21 0.00 1.58 0.00 0.00 0.00 179.25 181.06 2klo n HIS 131 N -3.83 0.57 -3.77 0.00 -0.00 -0.92 -4.95 115.22 102.32 2klo n HIS 131 Ca -0.02 0.20 -0.27 0.00 -0.00 0.00 0.00 57.72 57.64 2klo n HIS 131 Cb 0.26 -0.83 0.00 0.00 -0.00 0.00 0.00 29.99 29.43 2klo n HIS 131 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2klo n HIS 132 N -2.00 -2.10 0.27 1.57 -0.00 -1.02 -4.92 115.22 107.02 2klo n HIS 132 Ca 0.04 0.87 -0.16 0.00 -0.00 0.00 0.00 57.72 58.46 2klo n HIS 132 Cb 0.27 -2.61 -0.08 0.00 -0.00 0.00 0.00 29.99 27.57 2klo n HIS 132 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2klo h VAL 133 N 0.00 0.34 -0.25 1.59 2.07 -1.87 -3.23 116.25 114.91 2klo h VAL 133 Ca -0.64 0.00 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2klo h VAL 133 Cb 1.41 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2klo h VAL 133 CO 0.35 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.94 2klo n HIS 134 N -5.45 0.42 -3.75 1.57 1.44 -1.26 -5.01 115.22 103.18 2klo n HIS 134 Ca -0.11 -0.58 -0.01 0.00 -2.01 0.00 0.00 57.72 55.00 2klo n HIS 134 Cb 0.35 -0.08 -0.00 0.00 0.12 0.00 0.00 29.99 30.37 2klo n HIS 134 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2klo n ALA 135 N 0.05 0.02 0.00 1.59 0.00 -1.22 -5.08 120.51 115.88 2klo n ALA 135 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2klo n ALA 135 Cb 0.47 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.31 4.93 0.00 0.00 0.28 -1.26 -4.86 120.64 119.41 2klo n GLU 136 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2klo n GLU 136 Cb 0.02 -0.45 0.00 0.00 1.43 0.00 0.00 31.44 32.44 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 0.04 0.63 0.00 -1.84 0.00 -1.26 -5.04 105.19 97.72 2klo n GLY 137 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2klo n GLY 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36