#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klo n ALA 2 N 0.00 -0.25 -2.48 0.55 0.00 -1.26 -4.96 120.51 112.11 2klo n ALA 2 Ca 0.00 0.20 -0.21 0.00 0.00 0.00 0.00 53.44 53.43 2klo n ALA 2 Cb 0.00 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.01 2klo n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2klo s ALA 3 N -2.17 3.88 0.10 0.00 0.00 -1.26 -5.15 121.76 117.16 2klo s ALA 3 Ca 0.00 -1.66 0.01 0.00 0.00 0.00 0.00 51.96 50.30 2klo s ALA 3 Cb 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 2klo s ALA 3 CO 0.00 -0.01 -0.02 -1.54 0.00 0.00 0.00 175.76 174.18 2klo s SER 4 N -4.02 0.83 0.89 0.00 1.04 -1.26 -5.17 113.70 106.02 2klo s SER 4 Ca 0.42 -1.07 -0.12 0.00 0.48 0.00 0.00 55.95 55.66 2klo s SER 4 Cb -0.06 0.16 0.12 0.00 0.10 0.00 0.00 66.02 66.35 2klo s SER 4 CO 0.27 -0.57 1.10 -2.16 0.98 0.00 0.00 173.24 172.87 2klo s PRO 5 N -3.91 1.34 0.05 4.02 0.04 -1.26 -4.94 135.00 130.34 2klo s PRO 5 Ca 0.15 0.59 -0.31 0.00 0.04 0.00 0.00 61.00 61.46 2klo s PRO 5 Cb 0.07 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.66 2klo s PRO 5 CO -0.04 -2.12 1.89 0.43 0.04 0.00 0.00 177.00 177.21 2klo n SER 6 N -3.77 3.95 -4.72 6.66 7.64 -1.26 -4.97 113.62 117.15 2klo n SER 6 Ca 0.07 0.95 -0.30 0.00 1.01 0.00 0.00 58.87 60.60 2klo n SER 6 Cb 0.57 -1.50 0.13 0.00 -1.01 0.00 0.00 64.21 62.40 2klo n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2klo s ALA 7 N 3.62 1.65 0.08 -0.43 0.00 -1.26 -5.06 121.76 120.35 2klo s ALA 7 Ca 0.87 0.05 0.05 0.00 0.00 0.00 0.00 51.96 52.94 2klo s ALA 7 Cb -0.51 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.34 2klo s ALA 7 CO 0.42 -2.28 -0.06 -0.51 0.00 0.00 0.00 175.76 173.33 2klo s LEU 8 N -6.20 3.21 0.04 0.00 1.43 -1.26 -5.13 118.68 110.77 2klo s LEU 8 Ca 0.63 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.36 2klo s LEU 8 Cb -0.18 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.10 2klo s LEU 8 CO 0.57 0.20 0.25 -0.54 0.23 0.00 0.00 176.35 177.06 2klo s LYS 9 N -2.05 0.75 0.36 1.70 -0.14 -1.26 -5.18 119.74 113.92 2klo s LYS 9 Ca 0.22 -0.56 -0.17 0.00 -1.36 0.00 0.00 55.97 54.10 2klo s LYS 9 Cb -0.11 0.32 0.05 0.00 -1.68 0.00 0.00 37.83 36.40 2klo s LYS 9 CO 0.14 -0.23 0.77 0.20 -0.76 0.00 0.00 175.35 175.47 2klo s GLY 10 N -2.05 0.28 0.04 -3.33 0.00 -1.26 -5.20 107.32 95.81 2klo s GLY 10 Ca -0.05 -0.66 -0.02 0.00 0.00 0.00 0.00 44.72 43.98 2klo s GLY 10 CO -0.03 -0.27 0.01 0.54 0.00 0.00 0.00 173.10 173.34 2klo s VAL 11 N -2.71 0.16 -0.43 1.40 0.11 -1.26 -5.13 120.40 112.54 2klo s VAL 11 Ca 0.15 -1.30 0.02 0.00 -2.93 0.00 0.00 61.98 57.91 2klo s VAL 11 Cb -0.05 -0.93 0.13 0.00 -1.53 0.00 0.00 36.38 34.00 2klo s VAL 11 CO 0.11 -0.72 0.23 -0.94 -3.33 0.00 0.00 175.10 170.45 2klo s SER 12 N -2.22 3.66 0.00 3.54 1.04 -1.26 -4.95 113.70 113.51 2klo s SER 12 Ca -0.04 -2.57 0.00 0.00 0.48 0.00 0.00 55.95 53.82 2klo s SER 12 Cb -0.01 -1.01 0.00 0.00 0.10 0.00 0.00 66.02 65.10 2klo s SER 12 CO -0.06 -0.28 0.00 1.67 0.98 0.00 0.00 173.24 175.56 2klo n GLN 13 N 3.62 0.00 0.14 4.02 7.27 -1.26 -4.23 117.38 126.94 2klo n GLN 13 Ca 0.08 0.16 0.03 0.00 0.07 0.00 0.00 57.00 57.34 2klo n GLN 13 Cb 0.35 -0.60 0.07 0.00 2.41 0.00 0.00 30.24 32.46 2klo n GLN 13 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2klo h ALA 14 N -2.00 0.70 -0.52 1.69 0.00 -2.02 -3.18 119.26 113.93 2klo h ALA 14 Ca 0.00 -0.45 0.05 0.00 0.00 0.00 0.00 54.91 54.51 2klo h ALA 14 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2klo h ALA 14 CO 0.00 0.62 0.35 -0.07 0.00 0.00 0.00 179.25 180.15 2klo h LEU 15 N 0.00 0.44 -1.00 0.00 3.38 -1.92 -1.19 115.31 115.02 2klo h LEU 15 Ca -0.00 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2klo h LEU 15 Cb 1.33 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 2klo h LEU 15 CO 0.06 0.29 0.03 -0.07 0.09 0.00 0.00 178.44 178.85 2klo h LEU 16 N 0.50 0.72 -0.69 1.67 3.38 -1.72 -2.29 115.31 116.87 2klo h LEU 16 Ca 0.22 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2klo h LEU 16 Cb 0.25 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2klo h LEU 16 CO -0.06 0.77 0.17 -0.33 0.09 0.00 0.00 178.44 179.07 2klo h GLU 17 N 0.72 1.11 0.00 1.13 5.08 -1.39 -2.19 114.58 119.03 2klo h GLU 17 Ca 0.15 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2klo h GLU 17 Cb 0.39 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2klo h GLU 17 CO 0.01 0.99 0.00 0.54 -1.00 0.00 0.00 179.01 179.55 2klo n ARG 18 N -4.25 0.00 0.13 2.33 1.74 -0.89 -1.91 116.66 113.81 2klo n ARG 18 Ca 0.05 0.28 0.13 0.00 -0.77 0.00 0.00 57.85 57.53 2klo n ARG 18 Cb 0.26 -1.50 0.29 0.00 -1.02 0.00 0.00 32.46 30.49 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 0.00 -0.50 0.55 2.04 -1.02 -3.38 117.51 115.19 2klo h ILE 19 Ca 0.00 -0.65 0.07 0.00 1.00 0.00 0.00 64.86 65.28 2klo h ILE 19 Cb 0.22 1.58 -0.09 0.00 -0.74 0.00 0.00 36.82 37.79 2klo h ILE 19 CO 0.00 0.00 -0.49 -0.09 0.00 0.00 0.00 178.15 177.57 2klo h ARG 20 N 0.00 -0.29 0.00 2.37 2.43 -1.50 0.26 114.38 117.65 2klo h ARG 20 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2klo h ARG 20 Cb 0.82 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2klo h ARG 20 CO 0.00 -0.19 0.00 0.00 -1.51 0.00 0.00 179.97 178.27 2klo n ALA 21 N -3.12 1.06 -0.11 2.80 0.00 -1.26 -1.69 120.51 118.19 2klo n ALA 21 Ca -0.01 0.17 -0.16 0.00 0.00 0.00 0.00 53.44 53.44 2klo n ALA 21 Cb 0.34 -1.28 -0.13 0.00 0.00 0.00 0.00 19.45 18.38 2klo n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2klo n LYS 22 N -2.16 0.67 0.23 0.00 5.02 0.61 -4.43 118.16 118.11 2klo n LYS 22 Ca -0.01 0.12 0.11 0.00 -2.02 0.00 0.00 58.31 56.51 2klo n LYS 22 Cb 0.04 -1.54 0.52 0.00 -0.02 0.00 0.00 35.03 34.03 2klo n LYS 22 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 2klo h GLU 23 N 0.00 0.00 -0.16 1.97 4.11 0.23 -2.89 114.58 117.86 2klo h GLU 23 Ca -0.56 0.00 0.05 0.00 0.07 0.00 0.00 59.36 58.92 2klo h GLU 23 Cb 2.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.24 2klo h GLU 23 CO -0.05 0.18 0.15 -0.24 0.07 0.00 0.00 179.01 179.12 2klo h VAL 24 N 0.00 0.61 0.00 -1.06 3.04 -1.66 0.70 116.25 117.88 2klo h VAL 24 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2klo h VAL 24 Cb 0.67 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 2klo h VAL 24 CO 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.58 2klo n GLN 25 N -4.01 0.19 0.00 4.17 6.02 -1.09 -3.55 117.38 119.11 2klo n GLN 25 Ca 0.01 0.21 0.12 0.00 -0.01 0.00 0.00 57.00 57.32 2klo n GLN 25 Cb 0.27 -1.74 0.58 0.00 1.02 0.00 0.00 30.24 30.37 2klo n GLN 25 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2klo n LYS 26 N -2.07 0.22 -0.26 -1.09 4.76 0.24 -4.06 118.16 115.90 2klo n LYS 26 Ca 0.05 0.07 0.06 0.00 -2.87 0.00 0.00 58.31 55.62 2klo n LYS 26 Cb 0.37 -1.50 0.19 0.00 -1.84 0.00 0.00 35.03 32.25 2klo n LYS 26 CO 0.00 0.00 0.00 -0.56 -1.37 0.00 0.00 177.40 175.47 2klo h GLN 27 N 0.00 0.34 0.00 1.97 3.07 -1.74 0.69 115.11 119.44 2klo h GLN 27 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 2klo h GLN 27 Cb 0.30 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.79 2klo h GLN 27 CO 0.00 0.22 0.00 1.25 0.09 0.00 0.00 178.83 180.39 2klo h LEU 28 N 0.35 0.00-10.75 0.06 5.85 -1.89 -3.44 115.31 105.48 2klo h LEU 28 Ca 0.43 0.00 -0.48 0.00 0.84 0.00 0.00 57.88 58.67 2klo h LEU 28 Cb 0.71 0.00 0.08 0.00 0.37 0.00 0.00 40.66 41.82 2klo h LEU 28 CO -0.47 0.00 0.11 0.00 -0.34 0.00 0.00 178.44 177.74 2klo s ALA 29 N -3.35 3.82 0.00 1.25 0.00 0.23 -4.97 121.76 118.75 2klo s ALA 29 Ca 0.05 -1.91 -0.01 0.00 0.00 0.00 0.00 51.96 50.08 2klo s ALA 29 Cb 0.10 -1.89 -0.06 0.00 0.00 0.00 0.00 23.12 21.27 2klo s ALA 29 CO 0.45 -1.55 1.48 2.89 0.00 0.00 0.00 175.76 179.03 2klo n ARG 30 N -2.86 0.73 -3.86 0.00 1.85 -1.26 -4.76 116.66 106.49 2klo n ARG 30 Ca 0.17 -0.22 -0.35 0.00 -1.00 0.00 0.00 57.85 56.45 2klo n ARG 30 Cb 0.61 -1.46 -0.13 0.00 -1.05 0.00 0.00 32.46 30.43 2klo n ARG 30 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 2klo s MET 31 N 1.40 2.02 -0.52 2.89 -1.94 -1.26 -4.97 119.30 116.92 2klo s MET 31 Ca 0.15 -1.67 0.05 0.00 -1.71 0.00 0.00 55.69 52.50 2klo s MET 31 Cb 0.07 -3.39 0.39 0.00 2.01 0.00 0.00 34.83 33.90 2klo s MET 31 CO 0.00 -0.92 1.11 -2.37 -0.01 0.00 0.00 175.02 172.83 2klo n THR 32 N 4.54 2.77 -1.74 2.05 5.66 -1.26 -4.84 114.28 121.46 2klo n THR 32 Ca -0.04 -5.18 -0.43 0.00 -3.05 0.00 0.00 64.05 55.36 2klo n THR 32 Cb 0.42 -1.32 -0.03 0.00 -1.55 0.00 0.00 70.33 67.85 2klo n THR 32 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2klo s ARG 33 N -3.56 3.58 0.45 1.09 1.81 -1.26 -4.47 118.95 116.59 2klo s ARG 33 Ca 0.48 2.11 0.00 0.00 -1.72 0.00 0.00 55.73 56.60 2klo s ARG 33 Cb 0.35 -4.24 0.00 0.00 -0.45 0.00 0.00 34.95 30.62 2klo s ARG 33 CO -0.18 -1.59 0.00 0.00 -0.68 0.00 0.00 175.30 172.85 2klo h PRO 35 N 0.00 0.00 0.00 0.00 0.13 -2.04 -2.19 132.00 127.90 2klo h PRO 35 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2klo h PRO 35 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2klo h PRO 35 CO 0.00 0.00 -0.01 1.49 -0.23 0.00 0.00 178.00 179.25 2klo h GLU 36 N 0.00 0.00 0.00 0.86 4.81 -1.91 0.43 114.58 118.77 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 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2klo h GLU 36 CO 0.00 0.01 0.00 1.04 -0.73 0.00 0.00 179.01 179.33 2klo n GLN 37 N -3.26 0.05 -0.26 1.92 6.02 -0.82 -3.55 117.38 117.48 2klo n GLN 37 Ca -0.03 0.18 0.17 0.00 -0.01 0.00 0.00 57.00 57.31 2klo n GLN 37 Cb 0.11 -1.58 0.46 0.00 1.02 0.00 0.00 30.24 30.25 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 0.50 -0.75 -1.09 4.11 -1.11 -0.59 114.58 115.65 2klo h GLU 38 Ca 0.00 -0.03 -0.06 0.00 0.07 0.00 0.00 59.36 59.34 2klo h GLU 38 Cb 0.41 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2klo h GLU 38 CO 0.00 0.33 0.23 -0.07 0.07 0.00 0.00 179.01 179.57 2klo h LEU 39 N 0.51 1.09 0.06 3.06 3.38 -1.78 0.27 115.31 121.90 2klo h LEU 39 Ca 0.48 -0.21 -0.21 0.00 0.09 0.00 0.00 57.88 58.03 2klo h LEU 39 Cb 1.05 -0.29 0.02 0.00 0.09 0.00 0.00 40.66 41.53 2klo h LEU 39 CO -0.21 1.01 -0.87 0.03 0.09 0.00 0.00 178.44 178.49 2klo h ARG 40 N 1.12 0.48 0.02 1.13 -0.00 -1.41 -2.58 114.38 113.14 2klo h ARG 40 Ca 0.24 -0.60 -0.00 0.00 -0.50 0.00 0.00 59.98 59.12 2klo h ARG 40 Cb 0.31 0.19 0.00 0.00 0.00 0.00 0.00 29.97 30.47 2klo h ARG 40 CO -0.01 1.23 -0.01 -0.07 0.00 0.00 0.00 179.97 181.12 2klo h LEU 41 N 0.01 -0.02 -0.64 3.04 3.38 -1.12 -2.74 115.31 117.22 2klo h LEU 41 Ca -0.13 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.57 2klo h LEU 41 Cb 1.59 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 42.30 2klo h LEU 41 CO 0.17 0.29 0.40 -0.61 0.09 0.00 0.00 178.44 178.77 2klo h GLN 42 N -0.33 0.77 -0.19 1.13 5.75 -0.57 -0.60 115.11 121.07 2klo h GLN 42 Ca -0.00 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.46 2klo h GLN 42 Cb 0.32 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 2klo h GLN 42 CO 0.00 0.51 0.08 0.07 -2.65 0.00 0.00 178.83 176.85 2klo h ARG 43 N 0.79 0.18 0.00 1.69 0.11 -1.39 -0.13 114.38 115.63 2klo h ARG 43 Ca 0.26 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.32 2klo h ARG 43 Cb 0.01 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.05 2klo h ARG 43 CO -0.10 0.12 0.00 1.37 0.10 0.00 0.00 179.97 181.46 2klo h LEU 44 N 0.19 0.00 -0.31 0.08 8.10 -1.13 -2.81 115.31 119.42 2klo h LEU 44 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.07 2klo h LEU 44 Cb 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.25 2klo h LEU 44 CO -0.06 0.00 -0.43 -0.62 -4.11 0.00 0.00 178.44 173.21 2klo n GLU 45 N -2.80 0.48 0.00 0.17 1.02 -0.27 -4.17 120.64 115.07 2klo n GLU 45 Ca 0.01 -0.31 0.15 0.00 -0.02 0.00 0.00 57.16 56.99 2klo n GLU 45 Cb 0.28 -1.49 0.86 0.00 -0.02 0.00 0.00 31.44 31.06 2klo n GLU 45 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2klo n ARG 46 N -0.99 0.80 -0.04 3.49 1.74 -0.15 -4.21 116.66 117.29 2klo n ARG 46 Ca 0.09 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.07 2klo n ARG 46 Cb 0.35 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.26 2klo n ARG 46 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2klo h LEU 47 N 0.00 -1.09 -1.70 0.55 3.38 -1.78 0.50 115.31 115.17 2klo h LEU 47 Ca 0.00 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 2klo h LEU 47 Cb 0.08 0.48 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2klo h LEU 47 CO 0.00 -0.36 -0.13 1.55 0.09 0.00 0.00 178.44 179.59 2klo h PRO 48 N -0.36 0.00 -0.15 1.13 0.13 -1.93 -2.63 132.00 128.19 2klo h PRO 48 Ca 0.12 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.18 2klo h PRO 48 Cb 0.56 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.68 2klo h PRO 48 CO -0.43 0.13 -0.18 1.49 -0.23 0.00 0.00 178.00 178.78 2klo h GLU 49 N 0.00 0.39 0.53 0.86 4.57 -1.35 -2.75 114.58 116.82 2klo h GLU 49 Ca -0.00 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 57.94 2klo h GLU 49 Cb 0.45 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 2klo h GLU 49 CO 0.02 0.79 -0.35 -0.07 -1.18 0.00 0.00 179.01 178.21 2klo h LEU 50 N 0.01 -0.90 -0.70 1.64 -0.00 -0.65 -1.62 115.31 113.09 2klo h LEU 50 Ca 0.02 0.06 0.11 0.00 -0.00 0.00 0.00 57.88 58.06 2klo h LEU 50 Cb 0.73 0.27 -0.08 0.00 -0.00 0.00 0.00 40.66 41.59 2klo h LEU 50 CO 0.04 -0.54 0.31 0.00 -0.00 0.00 0.00 178.44 178.26 2klo h ALA 51 N -0.47 0.96 0.63 1.53 0.00 -1.57 0.89 119.26 121.21 2klo h ALA 51 Ca -0.06 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2klo h ALA 51 Cb 0.70 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2klo h ALA 51 CO 0.04 -0.12 -0.43 0.00 0.00 0.00 0.00 179.25 178.75 2klo h ARG 52 N 0.52 -0.97 -0.68 0.00 3.08 -1.24 -2.13 114.38 112.96 2klo h ARG 52 Ca 0.36 0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.50 2klo h ARG 52 Cb 0.43 0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 2klo h ARG 52 CO -0.31 -0.65 0.42 0.28 -1.07 0.00 0.00 179.97 178.64 2klo h VAL 53 N -1.01 1.09 0.50 2.04 2.07 -0.81 -0.96 116.25 119.16 2klo h VAL 53 Ca -0.08 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2klo h VAL 53 Cb 0.83 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2klo h VAL 53 CO 0.05 0.15 -0.50 0.25 0.02 0.00 0.00 177.57 177.54 2klo h LEU 54 N 0.82 -1.36 -1.84 2.57 6.46 -0.73 0.11 115.31 121.34 2klo h LEU 54 Ca 0.27 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 58.13 2klo h LEU 54 Cb 0.02 0.45 -0.00 0.00 -0.73 0.00 0.00 40.66 40.40 2klo h LEU 54 CO -0.11 -0.66 0.00 0.08 -0.62 0.00 0.00 178.44 177.13 2klo h ARG 55 N -0.99 0.09 -0.04 1.25 -0.00 -1.27 -1.46 114.38 111.96 2klo h ARG 55 Ca -0.06 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.98 59.90 2klo h ARG 55 Cb 0.87 -0.02 -0.00 0.00 -0.00 0.00 0.00 29.97 30.82 2klo h ARG 55 CO -0.06 0.11 -0.02 -0.91 -0.00 0.00 0.00 179.97 179.08 2klo h ASN 56 N 0.10 0.08 -0.09 0.08 2.35 -0.43 -0.68 115.58 116.98 2klo h ASN 56 Ca 0.02 -0.42 -0.08 0.00 -0.55 0.00 0.00 56.30 55.27 2klo h ASN 56 Cb 0.07 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 2klo h ASN 56 CO 0.00 0.48 -0.20 1.62 -1.65 0.00 0.00 177.43 177.68 2klo h VAL 57 N -0.33 1.25 -0.23 2.81 3.04 -0.43 -1.90 116.25 120.46 2klo h VAL 57 Ca 0.01 -1.15 -0.12 0.00 -1.01 0.00 0.00 66.70 64.42 2klo h VAL 57 Cb 0.45 1.26 -0.01 0.00 -2.01 0.00 0.00 31.29 30.98 2klo h VAL 57 CO 0.01 0.37 -0.37 -0.26 -1.01 0.00 0.00 177.57 176.31 2klo h PHE 58 N 0.44 0.59 -0.14 3.17 -1.00 -1.25 -2.50 116.94 116.24 2klo h PHE 58 Ca 0.07 -0.16 -0.17 0.00 2.81 0.00 0.00 57.97 60.52 2klo h PHE 58 Cb 0.59 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 40.01 2klo h PHE 58 CO 0.02 0.80 -0.63 -0.24 -1.61 0.00 0.00 178.31 176.66 2klo h VAL 59 N 0.42 1.34 0.00 -0.55 3.04 -0.38 -2.84 116.25 117.28 2klo h VAL 59 Ca 0.04 -1.93 0.00 0.00 -1.01 0.00 0.00 66.70 63.81 2klo h VAL 59 Cb 0.84 1.91 0.00 0.00 -2.01 0.00 0.00 31.29 32.03 2klo h VAL 59 CO 0.07 0.59 0.00 0.28 -1.01 0.00 0.00 177.57 177.50 2klo h SER 60 N 0.37 0.00 1.61 3.17 0.02 -1.28 -2.87 113.55 114.57 2klo h SER 60 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2klo h SER 60 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2klo h SER 60 CO 0.11 0.00 0.00 -0.08 -1.14 0.00 0.00 176.83 175.72 2klo h GLU 61 N 0.00 0.00 -0.67 3.45 4.57 -1.19 -3.47 114.58 117.26 2klo h GLU 61 Ca 0.00 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.89 2klo h GLU 61 Cb 0.61 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 29.09 2klo h GLU 61 CO 0.00 0.00 -0.26 -2.13 -1.18 0.00 0.00 179.01 175.44 2klo n ARG 62 N -3.00 -1.46 -3.87 1.92 0.63 -1.09 -4.98 116.66 104.81 2klo n ARG 62 Ca 0.03 0.99 -0.17 0.00 -0.92 0.00 0.00 57.85 57.77 2klo n ARG 62 Cb 0.44 -5.31 -0.16 0.00 0.45 0.00 0.00 32.46 27.88 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 -3.15 0.24 0.00 -0.14 -2.85 -1.26 -5.03 119.74 107.55 2klo s LYS 63 Ca 0.00 0.12 0.31 0.00 -1.00 0.00 0.00 55.97 55.40 2klo s LYS 63 Cb 0.00 -0.48 1.72 0.00 -2.06 0.00 0.00 37.83 37.01 2klo s LYS 63 CO 0.00 -0.17 2.14 -0.35 0.10 0.00 0.00 175.35 177.07 2klo n PRO 64 N 4.31 0.81 -4.31 1.78 -0.04 -1.26 -4.71 135.00 131.57 2klo n PRO 64 Ca -0.23 -0.04 -0.30 0.00 -0.04 0.00 0.00 63.50 62.89 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 -2.22 1.85 0.14 0.55 0.00 -1.26 -2.06 121.76 118.76 2klo s ALA 65 Ca 0.40 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.55 2klo s ALA 65 Cb 0.21 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 2klo s ALA 65 CO 0.41 -0.19 -0.13 -0.51 0.00 0.00 0.00 175.76 175.33 2klo s LEU 66 N 1.16 2.46 0.49 0.00 2.01 -0.93 -5.00 118.68 118.86 2klo s LEU 66 Ca -0.02 -0.90 -0.21 0.00 0.01 0.00 0.00 54.13 53.02 2klo s LEU 66 Cb -0.14 -0.50 -0.08 0.00 0.01 0.00 0.00 46.19 45.48 2klo s LEU 66 CO -0.05 -0.20 1.08 -0.89 1.01 0.00 0.00 176.35 177.29 2klo s THR 67 N -2.59 3.51 0.15 5.49 2.01 -1.26 -1.23 115.64 121.72 2klo s THR 67 Ca 0.13 1.00 -0.16 0.00 0.31 0.00 0.00 61.69 62.96 2klo s THR 67 Cb -0.02 -3.43 0.02 0.00 0.01 0.00 0.00 72.50 69.07 2klo s THR 67 CO 0.03 -0.15 1.76 -0.03 -0.69 0.00 0.00 174.62 175.53 2klo h MET 68 N 1.66 0.28 -0.82 4.92 4.05 -1.26 -2.47 114.93 121.30 2klo h MET 68 Ca -0.49 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 58.91 2klo h MET 68 Cb 1.23 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.93 2klo h MET 68 CO 0.59 0.19 0.52 1.49 0.23 0.00 0.00 176.91 179.92 2klo h GLU 69 N 0.29 1.09 0.71 0.39 4.81 -1.92 -1.68 114.58 118.26 2klo h GLU 69 Ca 0.16 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2klo h GLU 69 Cb 0.12 -0.24 0.01 0.00 0.63 0.00 0.00 28.75 29.26 2klo h GLU 69 CO -0.15 0.74 -0.34 0.28 -0.73 0.00 0.00 179.01 178.82 2klo h VAL 70 N 1.12 0.18 -0.28 0.32 2.07 -1.83 -1.35 116.25 116.47 2klo h VAL 70 Ca 0.30 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 2klo h VAL 70 Cb -0.09 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 2klo h VAL 70 CO -0.06 0.02 0.12 1.62 0.02 0.00 0.00 177.57 179.29 2klo h VAL 71 N -1.12 1.11 0.58 2.57 3.04 -1.39 -0.75 116.25 120.28 2klo h VAL 71 Ca -0.10 -0.31 -0.03 0.00 -1.01 0.00 0.00 66.70 65.25 2klo h VAL 71 Cb 0.76 0.76 0.01 0.00 -2.01 0.00 0.00 31.29 30.80 2klo h VAL 71 CO 0.16 0.12 -0.28 0.00 -1.01 0.00 0.00 177.57 176.56 2klo h ALA 73 N -0.44 0.19 -0.60 0.00 0.00 -1.03 -1.07 119.26 116.33 2klo h ALA 73 Ca -0.08 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 54.98 2klo h ALA 73 Cb 0.62 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2klo h ALA 73 CO 0.13 -0.34 0.42 0.00 0.00 0.00 0.00 179.25 179.45 2klo h ARG 74 N 0.18 0.16 0.05 0.00 2.47 -1.00 -0.52 114.38 115.72 2klo h ARG 74 Ca 0.06 -0.01 -0.21 0.00 -1.26 0.00 0.00 59.98 58.56 2klo h ARG 74 Cb 0.00 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.27 2klo h ARG 74 CO -0.03 0.10 -1.10 1.98 0.56 0.00 0.00 179.97 181.48 2klo h MET 75 N 0.16 0.10 -0.35 0.04 4.05 -0.57 -3.38 114.93 114.98 2klo h MET 75 Ca 0.29 -0.18 -0.02 0.00 -0.28 0.00 0.00 59.70 59.51 2klo h MET 75 Cb 0.91 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.76 2klo h MET 75 CO -0.04 1.08 0.14 -0.24 0.23 0.00 0.00 176.91 178.08 2klo h VAL 76 N -0.69 1.14 -0.01 -5.77 3.04 -0.78 -2.85 116.25 110.32 2klo h VAL 76 Ca -0.27 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 65.01 2klo h VAL 76 Cb 1.45 0.72 -0.00 0.00 -2.01 0.00 0.00 31.29 31.45 2klo h VAL 76 CO -0.06 0.16 0.10 0.44 -1.01 0.00 0.00 177.57 177.21 2klo h ASP 77 N 0.49 0.00 -0.01 3.17 3.32 -1.29 0.44 116.42 122.55 2klo h ASP 77 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2klo h ASP 77 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2klo h ASP 77 CO -0.01 0.00 0.00 -0.24 -1.72 0.00 0.00 179.24 177.27 2klo n SER 78 N -3.12 0.14 0.00 6.45 2.88 -1.07 -3.98 113.62 114.91 2klo n SER 78 Ca -0.02 -1.22 0.06 0.00 -1.33 0.00 0.00 58.87 56.36 2klo n SER 78 Cb 0.17 -0.00 0.26 0.00 -0.75 0.00 0.00 64.21 63.88 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 -1.50 0.25 0.00 0.00 10.64 -1.26 -4.01 117.38 121.51 2klo n GLN 80 Ca 0.03 -0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.20 2klo n GLN 80 Cb 0.14 -1.38 0.00 0.00 -0.86 0.00 0.00 30.24 28.15 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 1.88 0.00 -1.96 -0.39 5.66 -1.26 -5.06 114.28 113.16 2klo n THR 81 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2klo n THR 81 Cb 0.13 -0.13 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 -2.43 1.73 -2.53 1.79 0.00 -1.26 -5.14 120.51 112.68 2klo n ALA 82 Ca 0.00 -0.14 -0.25 0.00 0.00 0.00 0.00 53.44 53.05 2klo n ALA 82 Cb 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.29 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 2.79 0.34 0.00 0.05 -1.26 -5.07 118.68 115.53 2klo s LEU 83 Ca 0.00 -1.08 -0.21 0.00 0.05 0.00 0.00 54.13 52.89 2klo s LEU 83 Cb 0.00 -1.15 -0.10 0.00 -2.05 0.00 0.00 46.19 42.90 2klo s LEU 83 CO 0.00 -0.15 0.86 -0.44 -0.55 0.00 0.00 176.35 176.07 2klo s SER 84 N -3.62 7.04 0.47 1.48 0.01 -1.26 -4.82 113.70 113.00 2klo s SER 84 Ca 0.33 1.59 0.17 0.00 1.31 0.00 0.00 55.95 59.34 2klo s SER 84 Cb -0.00 -2.49 1.12 0.00 0.21 0.00 0.00 66.02 64.85 2klo s SER 84 CO 0.17 -0.17 2.03 1.55 0.41 0.00 0.00 173.24 177.23 2klo h PRO 85 N 2.63 0.00 0.00 12.44 0.13 -1.91 -2.36 132.00 142.93 2klo h PRO 85 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 2klo h PRO 85 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2klo h PRO 85 CO 0.64 0.15 -0.18 0.78 -0.23 0.00 0.00 178.00 179.15 2klo h GLY 86 N 0.48 0.00 1.63 1.56 0.00 -1.98 -2.83 103.07 101.94 2klo h GLY 86 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 2klo h GLY 86 CO 0.02 0.00 -0.56 1.05 0.00 0.00 0.00 176.54 177.05 2klo h GLU 87 N 0.00 0.39 -0.38 4.80 4.11 -1.82 -2.68 114.58 118.99 2klo h GLU 87 Ca -0.00 -0.25 0.08 0.00 0.07 0.00 0.00 59.36 59.26 2klo h GLU 87 Cb 0.62 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.82 2klo h GLU 87 CO 0.02 0.84 -0.15 1.98 0.07 0.00 0.00 179.01 181.78 2klo h MET 88 N 0.30 -0.07 0.32 1.06 4.05 -1.59 -0.10 114.93 118.90 2klo h MET 88 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 2klo h MET 88 Cb 1.07 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.88 2klo h MET 88 CO 0.09 -0.05 -0.18 1.49 0.23 0.00 0.00 176.91 178.50 2klo h GLU 89 N -0.07 -0.46 -0.87 0.39 4.81 -1.60 -2.20 114.58 114.58 2klo h GLU 89 Ca 0.19 0.03 0.18 0.00 -0.13 0.00 0.00 59.36 59.63 2klo h GLU 89 Cb 0.36 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.78 2klo h GLU 89 CO -0.43 -0.30 0.57 0.87 -0.73 0.00 0.00 179.01 178.98 2klo h LYS 90 N -0.47 0.46 0.02 1.92 1.79 -0.95 -0.22 116.57 119.12 2klo h LYS 90 Ca -0.04 -0.03 -0.20 0.00 -2.18 0.00 0.00 60.65 58.20 2klo h LYS 90 Cb 0.38 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 2klo h LYS 90 CO 0.05 0.31 -0.93 0.45 -1.08 0.00 0.00 179.45 178.25 2klo h HIS 91 N 0.48 0.17 -0.36 -1.35 3.86 -0.74 -2.63 115.15 114.59 2klo h HIS 91 Ca 0.45 -0.10 -0.09 0.00 -1.16 0.00 0.00 60.37 59.46 2klo h HIS 91 Cb 1.00 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.44 2klo h HIS 91 CO -0.00 0.97 -0.15 -0.07 0.86 0.00 0.00 177.93 179.54 2klo h LEU 92 N 0.05 0.64 0.24 2.43 3.38 -0.45 -2.10 115.31 119.49 2klo h LEU 92 Ca -0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2klo h LEU 92 Cb 1.60 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.18 2klo h LEU 92 CO 0.13 0.81 -0.12 0.58 0.09 0.00 0.00 178.44 179.93 2klo h VAL 93 N 0.58 0.82 -0.85 1.22 2.07 -1.24 -0.44 116.25 118.41 2klo h VAL 93 Ca 0.10 -0.42 0.08 0.00 0.82 0.00 0.00 66.70 67.28 2klo h VAL 93 Cb 0.59 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 2klo h VAL 93 CO 0.04 0.09 0.51 0.17 0.02 0.00 0.00 177.57 178.40 2klo h LEU 94 N -0.54 0.76 -0.07 2.57 8.10 -1.36 0.78 115.31 125.55 2klo h LEU 94 Ca -0.03 0.04 -0.01 0.00 0.11 0.00 0.00 57.88 57.99 2klo h LEU 94 Cb 0.40 -0.12 -0.00 0.00 -0.44 0.00 0.00 40.66 40.50 2klo h LEU 94 CO 0.05 0.45 0.02 -0.07 -4.11 0.00 0.00 178.44 174.79 2klo h LEU 95 N 0.88 0.10 -1.58 0.17 3.38 -1.23 -0.73 115.31 116.30 2klo h LEU 95 Ca 0.39 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2klo h LEU 95 Cb 0.29 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2klo h LEU 95 CO -0.22 0.27 0.27 0.00 0.09 0.00 0.00 178.44 178.85 2klo h ALA 96 N 0.84 1.69 0.01 1.53 0.00 -0.44 0.42 119.26 123.31 2klo h ALA 96 Ca 0.02 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 2klo h ALA 96 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2klo h ALA 96 CO -0.00 0.28 -0.87 1.49 0.00 0.00 0.00 179.25 180.15 2klo h GLU 97 N 0.57 0.15 0.00 0.00 4.57 -0.57 -2.94 114.58 116.35 2klo h GLU 97 Ca 0.15 -0.16 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2klo h GLU 97 Cb -0.06 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.58 2klo h GLU 97 CO -0.03 0.93 -0.63 -0.07 -1.18 0.00 0.00 179.01 178.03 2klo h LEU 98 N 0.08 0.00 -5.78 1.64 -0.00 -0.64 -3.39 115.31 107.23 2klo h LEU 98 Ca -0.04 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 57.32 2klo h LEU 98 Cb 1.51 0.00 -0.41 0.00 -0.00 0.00 0.00 40.66 41.76 2klo h LEU 98 CO 0.13 0.00 -1.00 0.18 -0.00 0.00 0.00 178.44 177.75 2klo n LEU 99 N -2.84 2.05 0.17 1.67 4.77 0.09 -4.93 117.00 117.99 2klo n LEU 99 Ca 0.01 -5.22 0.13 0.00 -0.03 0.00 0.00 56.01 50.90 2klo n LEU 99 Cb 0.54 0.27 0.57 0.00 -2.33 0.00 0.00 43.42 42.47 2klo n LEU 99 CO 0.38 2.30 0.89 1.55 -1.33 0.00 0.00 177.39 181.17 2klo h PRO 100 N 3.08 0.00 0.00 3.23 0.13 -1.72 -1.89 132.00 134.82 2klo h PRO 100 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2klo h PRO 100 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2klo h PRO 100 CO 0.61 0.00 -0.41 -0.40 -0.23 0.00 0.00 178.00 177.57 2klo n ASP 101 N -2.42 0.64 -0.09 1.44 5.75 -1.26 -4.20 116.55 116.40 2klo n ASP 101 Ca 0.01 0.21 -0.23 0.00 -0.01 0.00 0.00 54.79 54.77 2klo n ASP 101 Cb 0.21 -0.11 -0.12 0.00 -1.03 0.00 0.00 41.12 40.07 2klo n ASP 101 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 2klo n TRP 102 N -2.01 0.60 -4.08 2.11 -0.00 -0.74 -4.80 117.44 108.51 2klo n TRP 102 Ca 0.04 0.20 -0.33 0.00 -0.00 0.00 0.00 57.50 57.41 2klo n TRP 102 Cb 0.41 -1.07 -0.07 0.00 -0.00 0.00 0.00 31.31 30.59 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 -7.33 3.94 0.03 5.87 1.43 -1.06 -2.10 118.68 119.45 2klo s LEU 103 Ca -0.31 0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 52.92 2klo s LEU 103 Cb 0.09 -2.29 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 2klo s LEU 103 CO 0.61 0.27 0.04 -0.44 0.23 0.00 0.00 176.35 177.06 2klo s SER 104 N -1.73 0.21 -0.00 2.29 0.01 -0.53 -4.65 113.70 109.29 2klo s SER 104 Ca 0.23 -0.52 0.01 0.00 1.31 0.00 0.00 55.95 56.98 2klo s SER 104 Cb -0.12 0.17 -0.00 0.00 0.21 0.00 0.00 66.02 66.28 2klo s SER 104 CO 0.14 -0.42 -0.04 -1.48 0.41 0.00 0.00 173.24 171.85 2klo s LEU 105 N -1.84 2.03 0.01 2.44 0.05 -1.26 -0.58 118.68 119.53 2klo s LEU 105 Ca -0.09 -0.11 -0.13 0.00 0.05 0.00 0.00 54.13 53.85 2klo s LEU 105 Cb -0.05 -0.21 0.02 0.00 -2.05 0.00 0.00 46.19 43.91 2klo s LEU 105 CO -0.03 0.03 0.27 -1.38 -0.55 0.00 0.00 176.35 174.69 2klo s HIS 106 N -0.19 -0.10 -0.13 3.48 -3.43 -0.15 -4.99 115.29 109.78 2klo s HIS 106 Ca 0.01 0.07 -0.04 0.00 -0.80 0.00 0.00 55.06 54.29 2klo s HIS 106 Cb -0.02 0.06 -0.04 0.00 -1.43 0.00 0.00 32.58 31.15 2klo s HIS 106 CO -0.00 -0.41 0.03 1.03 -2.00 0.00 0.00 174.74 173.39 2klo s ARG 107 N -1.78 3.48 0.22 -0.38 1.81 -1.26 -0.64 118.95 120.40 2klo s ARG 107 Ca -0.11 -0.38 0.10 0.00 -1.72 0.00 0.00 55.73 53.62 2klo s ARG 107 Cb -0.04 -2.99 -0.04 0.00 -0.45 0.00 0.00 34.95 31.42 2klo s ARG 107 CO 0.01 0.49 -0.10 0.42 -0.68 0.00 0.00 175.30 175.44 2klo s ILE 108 N -0.28 3.06 0.57 1.52 -1.09 0.11 -4.99 121.20 120.09 2klo s ILE 108 Ca 0.07 -1.89 0.33 0.00 -2.23 0.00 0.00 60.65 56.93 2klo s ILE 108 Cb -0.12 -2.56 0.49 0.00 -1.58 0.00 0.00 42.46 38.68 2klo s ILE 108 CO 0.02 -0.23 1.77 0.08 -1.23 0.00 0.00 174.94 175.34 2klo h ARG 109 N 2.55 0.00 0.00 2.79 0.11 -2.04 -1.92 114.38 115.86 2klo h ARG 109 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2klo h ARG 109 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 2klo h ARG 109 CO 0.56 0.00 -1.59 -2.37 0.10 0.00 0.00 179.97 176.67 2klo n THR 110 N -3.92 0.00 -3.94 0.08 5.66 -1.26 -5.10 114.28 105.79 2klo n THR 110 Ca 0.20 -0.31 0.01 0.00 -3.05 0.00 0.00 64.05 60.90 2klo n THR 110 Cb 1.12 0.21 0.01 0.00 -1.55 0.00 0.00 70.33 70.13 2klo n THR 110 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2klo s ASP 111 N -3.54 0.00 -0.10 1.09 -1.08 -0.72 -5.16 116.67 107.15 2klo s ASP 111 Ca -0.05 -0.34 -0.04 0.00 -0.52 0.00 0.00 52.55 51.60 2klo s ASP 111 Cb 0.09 0.25 -0.04 0.00 -1.46 0.00 0.00 42.92 41.77 2klo s ASP 111 CO 0.57 -0.50 0.05 -0.89 0.52 0.00 0.00 175.17 174.91 2klo s THR 112 N -2.08 4.69 0.18 1.71 2.01 -1.26 0.05 115.64 120.94 2klo s THR 112 Ca 0.27 -0.10 -0.00 0.00 0.31 0.00 0.00 61.69 62.16 2klo s THR 112 Cb -0.01 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 2klo s THR 112 CO 0.01 0.60 0.09 -0.31 -0.69 0.00 0.00 174.62 174.32 2klo s TYR 113 N -0.84 1.10 0.11 4.92 1.51 0.19 -0.81 117.35 123.52 2klo s TYR 113 Ca 0.13 -1.27 0.05 0.00 -1.01 0.00 0.00 57.07 54.97 2klo s TYR 113 Cb -0.12 -0.59 -0.04 0.00 -0.11 0.00 0.00 41.96 41.11 2klo s TYR 113 CO 0.03 -0.52 -0.12 0.08 -1.11 0.00 0.00 175.55 173.91 2klo s VAL 114 N -4.02 1.09 0.16 0.71 1.01 -0.36 -0.98 120.40 118.01 2klo s VAL 114 Ca 0.32 -1.65 0.07 0.00 0.00 0.00 0.00 61.98 60.71 2klo s VAL 114 Cb 0.07 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2klo s VAL 114 CO 0.08 -0.49 -0.15 -0.54 0.00 0.00 0.00 175.10 174.00 2klo s LYS 115 N -2.70 1.18 -0.09 2.72 1.02 0.26 -2.20 119.74 119.92 2klo s LYS 115 Ca 0.06 -1.41 -0.14 0.00 0.02 0.00 0.00 55.97 54.51 2klo s LYS 115 Cb -0.04 -1.04 0.03 0.00 -0.52 0.00 0.00 37.83 36.27 2klo s LYS 115 CO 0.01 0.19 0.35 -1.17 -0.92 0.00 0.00 175.35 173.81 2klo s LEU 116 N -2.84 0.69 -0.74 3.17 2.96 -0.88 -1.46 118.68 119.58 2klo s LEU 116 Ca 0.15 0.49 -0.17 0.00 -0.22 0.00 0.00 54.13 54.38 2klo s LEU 116 Cb -0.03 1.26 0.15 0.00 0.50 0.00 0.00 46.19 48.07 2klo s LEU 116 CO 0.05 -0.25 0.81 -1.81 -1.32 0.00 0.00 176.35 173.83 2klo s ASP 117 N -0.39 6.47 0.00 3.68 1.01 -0.89 -4.84 116.67 121.70 2klo s ASP 117 Ca -0.05 -2.00 0.14 0.00 0.71 0.00 0.00 52.55 51.35 2klo s ASP 117 Cb -0.03 -2.29 0.59 0.00 1.01 0.00 0.00 42.92 42.19 2klo s ASP 117 CO 0.02 -0.92 1.43 0.29 0.21 0.00 0.00 175.17 176.20 2klo n LYS 118 N 5.57 0.02 0.11 8.23 4.76 -1.26 -3.02 118.16 132.56 2klo n LYS 118 Ca 0.05 0.26 0.12 0.00 -2.87 0.00 0.00 58.31 55.87 2klo n LYS 118 Cb 0.45 -1.50 0.21 0.00 -1.84 0.00 0.00 35.03 32.35 2klo n LYS 118 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2klo h ALA 119 N 2.48 0.75 -2.96 7.82 0.00 -2.01 -3.47 119.26 121.87 2klo h ALA 119 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 2klo h ALA 119 Cb 0.22 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.14 2klo h ALA 119 CO 0.00 0.00 0.63 1.55 0.00 0.00 0.00 179.25 181.43 2klo n VAL 120 N -2.41 3.10 -2.25 0.00 3.14 -1.17 -4.87 118.33 113.87 2klo n VAL 120 Ca 0.03 -0.50 -0.37 0.00 -2.96 0.00 0.00 64.34 60.54 2klo n VAL 120 Cb 0.47 -1.74 -0.03 0.00 -1.06 0.00 0.00 33.84 31.47 2klo n VAL 120 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 2klo s ASP 121 N -0.62 5.65 0.45 6.55 1.01 -1.26 -4.86 116.67 123.59 2klo s ASP 121 Ca 0.65 -0.29 0.16 0.00 0.71 0.00 0.00 52.55 53.77 2klo s ASP 121 Cb -0.45 -2.55 1.11 0.00 1.01 0.00 0.00 42.92 42.04 2klo s ASP 121 CO 0.55 -2.19 1.98 0.25 0.21 0.00 0.00 175.17 175.97 2klo h LEU 122 N 15.29 0.29 -0.73 1.23 7.12 -1.95 -2.43 115.31 134.13 2klo h LEU 122 Ca -0.14 0.01 0.08 0.00 0.13 0.00 0.00 57.88 57.95 2klo h LEU 122 Cb 1.08 -0.05 -0.06 0.00 -0.53 0.00 0.00 40.66 41.10 2klo h LEU 122 CO 1.26 0.17 0.40 0.00 -0.13 0.00 0.00 178.44 180.14 2klo h ALA 123 N 1.71 1.01 -0.32 1.25 0.00 -2.00 0.11 119.26 121.02 2klo h ALA 123 Ca 0.27 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 2klo h ALA 123 Cb 0.64 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2klo h ALA 123 CO -0.07 0.05 -0.25 0.78 0.00 0.00 0.00 179.25 179.76 2klo h GLY 124 N 0.70 0.68 0.75 0.00 0.00 -1.85 -2.54 103.07 100.81 2klo h GLY 124 Ca 0.34 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 2klo h GLY 124 CO -0.22 0.52 -0.04 1.41 0.00 0.00 0.00 176.54 178.21 2klo h LEU 125 N 0.55 -0.10 -1.07 3.11 3.38 -1.20 -2.30 115.31 117.68 2klo h LEU 125 Ca 0.08 -0.22 0.13 0.00 0.09 0.00 0.00 57.88 57.96 2klo h LEU 125 Cb 0.72 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.41 2klo h LEU 125 CO 0.05 0.16 0.62 0.74 0.09 0.00 0.00 178.44 180.11 2klo h THR 126 N -0.37 0.87 0.81 0.22 2.02 -0.75 0.01 112.91 115.73 2klo h THR 126 Ca -0.01 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 2klo h THR 126 Cb 0.31 -0.11 0.01 0.00 -1.74 0.00 0.00 68.15 66.62 2klo h THR 126 CO 0.02 0.17 -0.39 0.00 0.37 0.00 0.00 175.52 175.68 2klo h ALA 127 N 1.57 -1.19 -0.49 6.16 0.00 -1.25 -2.63 119.26 121.44 2klo h ALA 127 Ca 0.50 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 55.27 2klo h ALA 127 Cb 0.59 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2klo h ALA 127 CO -0.27 -1.11 0.33 0.07 0.00 0.00 0.00 179.25 178.28 2klo h ARG 128 N -1.19 0.24 0.47 0.00 0.11 -1.04 -1.65 114.38 111.31 2klo h ARG 128 Ca -0.11 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 59.93 2klo h ARG 128 Cb 0.84 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.86 2klo h ARG 128 CO 0.18 0.16 -0.32 1.25 0.10 0.00 0.00 179.97 181.34 2klo h LEU 129 N 0.24 -0.83 -1.22 0.08 6.46 -0.88 -2.79 115.31 116.37 2klo h LEU 129 Ca 0.23 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 2klo h LEU 129 Cb 0.57 0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.75 2klo h LEU 129 CO -0.04 -0.47 0.00 0.00 -0.62 0.00 0.00 178.44 177.30 2klo h ALA 130 N -1.37 1.00 0.00 1.25 0.00 -1.15 -2.89 119.26 116.09 2klo h ALA 130 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2klo h ALA 130 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2klo h ALA 130 CO 0.04 0.00 0.00 0.72 0.00 0.00 0.00 179.25 180.01 2klo n HIS 131 N -2.51 0.64 -1.27 0.00 8.25 -0.65 -4.94 115.22 114.74 2klo n HIS 131 Ca 0.01 0.19 -0.10 0.00 -0.26 0.00 0.00 57.72 57.56 2klo n HIS 131 Cb 0.20 -0.81 -0.04 0.00 1.12 0.00 0.00 29.99 30.45 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 -2.03 -0.51 -0.11 4.41 -0.00 -1.09 -4.86 115.22 111.03 2klo n HIS 132 Ca 0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.73 2klo n HIS 132 Cb 0.39 -2.17 0.01 0.00 -0.00 0.00 0.00 29.99 28.22 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 0.58 -0.18 1.59 2.07 -1.88 -2.47 116.25 115.95 2klo h VAL 133 Ca -0.20 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 2klo h VAL 133 Cb 0.65 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2klo h VAL 133 CO 0.29 0.00 -0.00 1.57 0.02 0.00 0.00 177.57 179.45 2klo n HIS 134 N -5.31 0.66 -2.46 1.57 -0.00 -1.26 -5.04 115.22 103.38 2klo n HIS 134 Ca 0.02 -0.93 -0.27 0.00 -0.00 0.00 0.00 57.72 56.54 2klo n HIS 134 Cb 0.23 -0.27 0.02 0.00 -0.00 0.00 0.00 29.99 29.97 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 -2.86 3.34 0.00 1.57 0.00 -0.93 -4.96 121.76 117.91 2klo s ALA 135 Ca 0.39 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2klo s ALA 135 Cb 0.33 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.85 2klo s ALA 135 CO 0.07 -0.67 0.00 0.39 0.00 0.00 0.00 175.76 175.55 2klo n GLU 136 N -2.49 2.78 -0.06 0.00 -0.58 -1.26 -5.05 120.64 113.98 2klo n GLU 136 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2klo n GLU 136 Cb 0.57 -0.86 0.00 0.00 -0.57 0.00 0.00 31.44 30.58 2klo n GLU 136 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2klo n GLY 137 N 2.25 1.75 0.00 0.62 0.00 -1.26 -5.26 105.19 103.29 2klo n GLY 137 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2klo n GLY 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36