#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3f s ALA 2 N 0.00 -1.68 0.01 3.17 0.00 -1.26 -5.13 121.76 116.86 2k3f s ALA 2 Ca 0.00 1.19 -0.30 0.00 0.00 0.00 0.00 51.96 52.84 2k3f s ALA 2 Cb 0.00 -2.00 -0.06 0.00 0.00 0.00 0.00 23.12 21.05 2k3f s ALA 2 CO 0.00 -1.41 1.56 0.15 0.00 0.00 0.00 175.76 176.06 2k3f s LYS 3 N 2.69 4.22 -0.17 0.00 1.02 -1.26 -5.00 119.74 121.25 2k3f s LYS 3 Ca 0.15 2.15 -0.10 0.00 0.02 0.00 0.00 55.97 58.19 2k3f s LYS 3 Cb -0.14 -3.70 -0.05 0.00 -0.52 0.00 0.00 37.83 33.42 2k3f s LYS 3 CO -0.21 -0.71 0.17 0.15 -0.92 0.00 0.00 175.35 173.83 2k3f s LYS 4 N 2.97 3.99 0.33 1.68 1.02 -1.26 -4.99 119.74 123.49 2k3f s LYS 4 Ca 0.70 -0.13 -0.29 0.00 0.02 0.00 0.00 55.97 56.28 2k3f s LYS 4 Cb -0.35 -3.35 -0.11 0.00 -0.52 0.00 0.00 37.83 33.50 2k3f s LYS 4 CO 0.29 0.43 1.45 0.08 -0.92 0.00 0.00 175.35 176.68 2k3f s VAL 5 N -0.04 2.32 -0.12 3.17 1.01 -1.26 0.74 120.40 126.23 2k3f s VAL 5 Ca 0.12 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.42 2k3f s VAL 5 Cb -0.12 -3.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.98 2k3f s VAL 5 CO 0.01 0.07 -0.09 0.00 0.00 0.00 0.00 175.10 175.09 2k3f n ALA 6 N 1.06 1.74 -3.41 5.51 0.00 0.32 -4.46 120.51 121.27 2k3f n ALA 6 Ca 0.02 -0.54 -0.14 0.00 0.00 0.00 0.00 53.44 52.79 2k3f n ALA 6 Cb 0.40 0.19 -0.09 0.00 0.00 0.00 0.00 19.45 19.95 2k3f n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k3f s ALA 7 N -2.24 -1.27 -0.34 0.00 0.00 -0.11 -4.99 121.76 112.82 2k3f s ALA 7 Ca -0.15 1.36 -0.14 0.00 0.00 0.00 0.00 51.96 53.03 2k3f s ALA 7 Cb 0.04 -0.72 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 2k3f s ALA 7 CO 0.30 -0.25 0.29 -0.65 0.00 0.00 0.00 175.76 175.45 2k3f s GLN 8 N 0.07 3.56 -0.71 0.00 -0.21 -1.26 -0.27 119.66 120.83 2k3f s GLN 8 Ca -0.02 -0.52 -0.00 0.00 0.02 0.00 0.00 55.36 54.84 2k3f s GLN 8 Cb -0.03 -3.80 0.18 0.00 1.00 0.00 0.00 33.01 30.36 2k3f s GLN 8 CO 0.02 -0.46 0.54 0.42 -2.12 0.00 0.00 175.29 173.68 2k3f s ILE 9 N 1.86 3.67 0.42 1.08 1.01 0.23 -4.91 121.20 124.56 2k3f s ILE 9 Ca 0.09 -3.51 -0.22 0.00 0.00 0.00 0.00 60.65 57.00 2k3f s ILE 9 Cb -0.17 -3.36 -0.10 0.00 0.01 0.00 0.00 42.46 38.84 2k3f s ILE 9 CO 0.11 -0.96 0.99 -0.54 0.00 0.00 0.00 174.94 174.54 2k3f s LYS 10 N -0.74 4.17 -0.23 2.79 1.02 -1.26 -1.57 119.74 123.93 2k3f s LYS 10 Ca 0.22 1.29 -0.17 0.00 0.02 0.00 0.00 55.97 57.33 2k3f s LYS 10 Cb -0.14 -2.34 0.06 0.00 -0.52 0.00 0.00 37.83 34.90 2k3f s LYS 10 CO -0.08 -0.10 0.58 -0.51 -0.92 0.00 0.00 175.35 174.33 2k3f s LEU 11 N -2.96 -0.41 -0.41 3.17 1.02 -0.99 -4.93 118.68 113.18 2k3f s LEU 11 Ca 0.60 1.22 -0.19 0.00 0.02 0.00 0.00 54.13 55.78 2k3f s LEU 11 Cb -0.15 1.99 0.02 0.00 0.02 0.00 0.00 46.19 48.06 2k3f s LEU 11 CO 0.19 -0.21 0.55 -1.10 0.02 0.00 0.00 176.35 175.80 2k3f s GLN 12 N 0.89 3.33 -0.04 1.70 -0.21 -1.26 0.26 119.66 124.33 2k3f s GLN 12 Ca -0.05 -0.42 0.04 0.00 0.02 0.00 0.00 55.36 54.95 2k3f s GLN 12 Cb -0.05 -3.91 -0.00 0.00 1.00 0.00 0.00 33.01 30.04 2k3f s GLN 12 CO -0.08 -0.86 -0.15 -0.51 -2.12 0.00 0.00 175.29 171.58 2k3f s LEU 13 N 2.50 1.86 0.01 2.90 1.43 0.75 -4.81 118.68 123.33 2k3f s LEU 13 Ca 0.18 -0.30 -0.32 0.00 -1.03 0.00 0.00 54.13 52.66 2k3f s LEU 13 Cb -0.15 -0.84 -0.10 0.00 0.03 0.00 0.00 46.19 45.12 2k3f s LEU 13 CO 0.16 0.12 1.91 -2.65 0.23 0.00 0.00 176.35 176.12 2k3f n PRO 14 N 3.22 2.57 -1.79 1.29 -0.02 -1.23 0.87 135.00 139.90 2k3f n PRO 14 Ca -0.18 0.94 -0.42 0.00 -2.02 0.00 0.00 63.50 61.82 2k3f n PRO 14 Cb 0.53 -2.84 -0.03 0.00 -0.02 0.00 0.00 33.50 31.14 2k3f n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k3f s ALA 15 N 3.93 3.81 0.00 3.55 0.00 0.38 -0.22 121.76 133.21 2k3f s ALA 15 Ca 0.89 1.44 0.00 0.00 0.00 0.00 0.00 51.96 54.29 2k3f s ALA 15 Cb -0.55 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 18.86 2k3f s ALA 15 CO 0.45 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.58 2k3f n GLY 16 N 4.04 0.94 2.58 0.00 0.00 -1.26 -0.54 105.19 110.95 2k3f n GLY 16 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 2k3f n GLY 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k3f s LYS 17 N -0.10 0.20 -0.28 1.61 2.36 0.70 -4.98 119.74 119.25 2k3f s LYS 17 Ca 0.00 -0.43 -0.18 0.00 -2.55 0.00 0.00 55.97 52.81 2k3f s LYS 17 Cb 0.00 -1.14 0.10 0.00 -1.05 0.00 0.00 37.83 35.74 2k3f s LYS 17 CO 0.00 -0.99 0.82 0.00 1.55 0.00 0.00 175.35 176.73 2k3f s ALA 18 N 2.14 -2.01 0.03 3.13 0.00 -1.26 -3.58 121.76 120.22 2k3f s ALA 18 Ca 0.08 2.25 0.00 0.00 0.00 0.00 0.00 51.96 54.30 2k3f s ALA 18 Cb -0.16 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.47 2k3f s ALA 18 CO -0.34 -0.35 0.00 -2.37 0.00 0.00 0.00 175.76 172.70 2k3f n THR 19 N 3.71 0.00 -4.00 0.00 5.66 -1.26 -4.73 114.28 113.65 2k3f n THR 19 Ca -0.18 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.47 2k3f n THR 19 Cb 0.58 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.25 2k3f n THR 19 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2k3f s PRO 20 N -2.00 3.89 0.00 1.09 0.04 -1.26 -4.55 135.00 132.21 2k3f s PRO 20 Ca 0.00 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 60.66 2k3f s PRO 20 Cb 0.00 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.33 2k3f s PRO 20 CO 0.00 0.19 0.00 0.00 0.04 0.00 0.00 177.00 177.23 2k3f n ALA 21 N 3.79 0.00 -0.23 8.56 0.00 -1.26 -3.60 120.51 127.78 2k3f n ALA 21 Ca -0.16 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.24 2k3f n ALA 21 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 2k3f n ALA 21 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2k3f n PRO 22 N 0.00 -0.19 -0.08 0.00 -0.01 -1.26 0.20 135.00 133.66 2k3f n PRO 22 Ca 0.00 0.86 -0.17 0.00 -0.01 0.00 0.00 63.50 64.18 2k3f n PRO 22 Cb 0.00 -1.28 -0.13 0.00 -0.01 0.00 0.00 33.50 32.09 2k3f n PRO 22 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 175.50 174.14 2k3f h PRO 23 N 0.00 0.02 0.06 0.52 0.11 -1.99 -3.44 132.00 127.28 2k3f h PRO 23 Ca 0.15 -0.03 -0.27 0.00 0.11 0.00 0.00 66.00 65.95 2k3f h PRO 23 Cb 0.29 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 2k3f h PRO 23 CO -0.55 1.01 -1.48 0.28 -0.21 0.00 0.00 178.00 177.06 2k3f h VAL 24 N -0.95 0.88 0.00 3.15 2.07 -0.85 -3.33 116.25 117.21 2k3f h VAL 24 Ca -0.15 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.09 2k3f h VAL 24 Cb 1.16 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 2k3f h VAL 24 CO -0.07 0.58 0.00 0.61 0.02 0.00 0.00 177.57 178.71 2k3f n GLY 25 N 1.67 -3.27 0.33 2.17 0.00 0.52 -0.40 105.19 106.22 2k3f n GLY 25 Ca -0.30 0.46 0.24 0.00 0.00 0.00 0.00 46.02 46.42 2k3f n GLY 25 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2k3f h PRO 26 N 0.00 0.19 0.00 1.61 0.11 -1.81 0.78 132.00 132.89 2k3f h PRO 26 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2k3f h PRO 26 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 2k3f h PRO 26 CO 0.00 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 177.92 2k3f n ALA 27 N -2.41 -0.06 0.01 -0.75 0.00 -1.05 -2.80 120.51 113.45 2k3f n ALA 27 Ca 0.31 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.57 2k3f n ALA 27 Cb 1.00 0.11 -0.10 0.00 0.00 0.00 0.00 19.45 20.46 2k3f n ALA 27 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2k3f h LEU 28 N 0.00 0.67 -0.91 0.00 3.38 -0.34 -3.31 115.31 114.80 2k3f h LEU 28 Ca 0.00 -0.74 -0.06 0.00 0.09 0.00 0.00 57.88 57.18 2k3f h LEU 28 Cb 0.00 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2k3f h LEU 28 CO 0.00 1.32 0.17 1.23 0.09 0.00 0.00 178.44 181.25 2k3f h GLY 29 N 0.09 1.04 2.00 0.83 0.00 0.44 0.13 103.07 107.60 2k3f h GLY 29 Ca -0.09 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 2k3f h GLY 29 CO 0.15 0.57 -0.02 -1.61 0.00 0.00 0.00 176.54 175.62 2k3f h GLN 30 N 0.93 0.00 -0.44 4.80 4.15 -1.56 -0.67 115.11 122.32 2k3f h GLN 30 Ca 0.20 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.62 2k3f h GLN 30 Cb 0.31 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.00 2k3f h GLN 30 CO -0.00 0.02 0.00 0.72 -1.93 0.00 0.00 178.83 177.64 2k3f n HIS 31 N -3.23 0.58 -3.41 3.99 8.25 -0.12 -4.96 115.22 116.32 2k3f n HIS 31 Ca -0.02 -0.36 -0.25 0.00 -0.26 0.00 0.00 57.72 56.84 2k3f n HIS 31 Cb 0.17 -0.01 0.04 0.00 1.12 0.00 0.00 29.99 31.31 2k3f n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k3f n GLY 32 N 1.21 -0.52 0.13 -1.41 0.00 -0.26 -4.80 105.19 99.55 2k3f n GLY 32 Ca 0.18 0.17 -0.06 0.00 0.00 0.00 0.00 46.02 46.30 2k3f n GLY 32 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k3f h VAL 33 N -1.80 1.48 -1.49 1.61 2.07 -1.33 -3.46 116.25 113.33 2k3f h VAL 33 Ca -0.54 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 64.55 2k3f h VAL 33 Cb 1.36 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 2k3f h VAL 33 CO 0.58 0.71 0.00 -3.20 0.02 0.00 0.00 177.57 175.68 2k3f n ASN 34 N -3.71 -0.99 -0.34 0.57 2.85 -1.26 -4.75 115.26 107.62 2k3f n ASN 34 Ca -0.03 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.55 2k3f n ASN 34 Cb 0.74 -0.50 0.29 0.00 1.24 0.00 0.00 39.78 41.55 2k3f n ASN 34 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 2k3f h ILE 35 N 0.00 0.74 -0.23 -1.44 2.04 -1.93 0.26 117.51 116.95 2k3f h ILE 35 Ca 0.00 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 2k3f h ILE 35 Cb 0.09 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 2k3f h ILE 35 CO 0.00 0.14 0.10 0.24 0.00 0.00 0.00 178.15 178.63 2k3f h MET 36 N 0.76 0.34 -0.66 2.37 2.86 -1.94 0.73 114.93 119.39 2k3f h MET 36 Ca 0.54 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 58.13 2k3f h MET 36 Cb 0.78 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 2k3f h MET 36 CO -0.36 0.38 0.44 1.49 1.06 0.00 0.00 176.91 179.92 2k3f h GLU 37 N 0.22 0.87 0.42 1.72 4.57 -1.55 0.64 114.58 121.46 2k3f h GLU 37 Ca 0.08 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 2k3f h GLU 37 Cb 0.16 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 2k3f h GLU 37 CO -0.01 0.57 -0.37 0.35 -1.18 0.00 0.00 179.01 178.38 2k3f h PHE 38 N 0.89 -1.00 -0.12 0.92 3.57 -0.35 -1.75 116.94 119.11 2k3f h PHE 38 Ca 0.24 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.77 2k3f h PHE 38 Cb -0.10 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 2k3f h PHE 38 CO -0.03 -0.53 -0.04 0.00 -2.23 0.00 0.00 178.31 175.49 2k3f h LYS 40 N -0.02 0.00 0.04 0.00 3.64 0.26 0.22 116.57 120.72 2k3f h LYS 40 Ca 0.06 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2k3f h LYS 40 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2k3f h LYS 40 CO -0.13 0.05 -0.02 0.00 -2.27 0.00 0.00 179.45 177.08 2k3f h ARG 41 N 0.00 -0.06 -0.48 1.90 3.08 -0.30 -3.16 114.38 115.37 2k3f h ARG 41 Ca -0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 2k3f h ARG 41 Cb 0.20 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 2k3f h ARG 41 CO 0.01 -0.04 0.06 0.35 -1.07 0.00 0.00 179.97 179.28 2k3f h PHE 42 N -0.58 0.08 0.02 3.04 3.57 0.14 0.51 116.94 123.72 2k3f h PHE 42 Ca -0.01 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 2k3f h PHE 42 Cb 0.04 0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.82 2k3f h PHE 42 CO 0.01 -0.05 -0.01 -0.91 -2.23 0.00 0.00 178.31 175.12 2k3f h ASN 43 N 0.18 -0.03 -0.84 0.41 2.35 -1.18 0.47 115.58 116.94 2k3f h ASN 43 Ca 0.24 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.96 2k3f h ASN 43 Cb 0.34 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.67 2k3f h ASN 43 CO -0.35 -0.02 0.42 0.00 -1.65 0.00 0.00 177.43 175.83 2k3f h ALA 44 N 0.94 1.14 -0.32 -0.83 0.00 -1.06 0.07 119.26 119.20 2k3f h ALA 44 Ca -0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2k3f h ALA 44 Cb 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2k3f h ALA 44 CO 0.01 0.66 -0.00 0.93 0.00 0.00 0.00 179.25 180.84 2k3f h GLU 45 N 1.20 0.57 -0.03 0.00 4.39 0.52 -3.12 114.58 118.11 2k3f h GLU 45 Ca 0.29 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2k3f h GLU 45 Cb 0.10 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2k3f h GLU 45 CO -0.04 0.71 0.00 0.25 -1.16 0.00 0.00 179.01 178.77 2k3f n THR 46 N -4.54 0.02 -0.35 1.13 -2.24 0.16 -4.27 114.28 104.20 2k3f n THR 46 Ca -0.02 -0.26 0.24 0.00 -2.27 0.00 0.00 64.05 61.74 2k3f n THR 46 Cb 0.27 0.46 0.48 0.00 -2.10 0.00 0.00 70.33 69.45 2k3f n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k3f h ALA 47 N 4.31 2.07 0.00 6.98 0.00 -0.91 0.13 119.26 131.84 2k3f h ALA 47 Ca 0.00 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2k3f h ALA 47 Cb 0.49 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2k3f h ALA 47 CO 0.00 -0.61 -0.55 -0.44 0.00 0.00 0.00 179.25 177.65 2k3f h ASP 48 N 0.37 0.00 -0.38 0.00 5.19 -1.83 -3.12 116.42 116.65 2k3f h ASP 48 Ca 0.70 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 57.06 2k3f h ASP 48 Cb 1.65 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.13 2k3f h ASP 48 CO -0.49 0.55 0.03 0.29 -3.12 0.00 0.00 179.24 176.49 2k3f n LYS 49 N -3.26 3.17 -1.57 3.56 5.02 0.28 -5.03 118.16 120.33 2k3f n LYS 49 Ca 0.02 -2.96 -0.39 0.00 -2.02 0.00 0.00 58.31 52.96 2k3f n LYS 49 Cb 0.74 -1.95 0.04 0.00 -0.02 0.00 0.00 35.03 33.84 2k3f n LYS 49 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k3f n ALA 50 N -0.39 -0.23 -0.26 7.82 0.00 -0.21 -3.60 120.51 123.65 2k3f n ALA 50 Ca 0.26 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2k3f n ALA 50 Cb 1.02 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2k3f n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3f n GLY 51 N 1.41 0.84 2.75 0.00 0.00 0.30 -4.94 105.19 105.56 2k3f n GLY 51 Ca 0.12 -0.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 2k3f n GLY 51 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2k3f s MET 52 N -0.53 0.06 -0.84 1.61 1.00 -1.24 -4.90 119.30 114.46 2k3f s MET 52 Ca 0.00 0.22 -0.25 0.00 0.00 0.00 0.00 55.69 55.66 2k3f s MET 52 Cb 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 34.83 34.35 2k3f s MET 52 CO 0.00 -0.22 2.02 0.42 0.00 0.00 0.00 175.02 177.23 2k3f s ILE 53 N 1.46 3.36 0.01 2.53 -1.09 -1.26 0.14 121.20 126.36 2k3f s ILE 53 Ca -0.04 -0.24 -0.27 0.00 -2.23 0.00 0.00 60.65 57.87 2k3f s ILE 53 Cb -0.13 -3.83 -0.04 0.00 -1.58 0.00 0.00 42.46 36.88 2k3f s ILE 53 CO -0.03 -0.78 0.87 -0.76 -1.23 0.00 0.00 174.94 173.01 2k3f s LEU 54 N 10.70 4.40 -0.54 2.97 1.43 0.25 -4.71 118.68 133.19 2k3f s LEU 54 Ca 0.74 1.53 -0.27 0.00 -1.03 0.00 0.00 54.13 55.10 2k3f s LEU 54 Cb -0.09 -3.39 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 2k3f s LEU 54 CO 0.04 -0.14 1.83 -2.84 0.23 0.00 0.00 176.35 175.46 2k3f s PRO 55 N 0.58 2.84 0.19 1.29 0.02 -1.26 -0.17 135.00 138.47 2k3f s PRO 55 Ca 0.45 0.82 0.04 0.00 0.02 0.00 0.00 61.00 62.33 2k3f s PRO 55 Cb -0.21 -4.33 -0.03 0.00 0.02 0.00 0.00 34.50 29.96 2k3f s PRO 55 CO 0.25 -2.47 0.29 0.54 -0.33 0.00 0.00 177.00 175.27 2k3f s VAL 56 N 8.40 5.15 -0.11 3.83 0.11 0.14 -0.25 120.40 137.67 2k3f s VAL 56 Ca 0.70 -0.87 -0.02 0.00 -2.93 0.00 0.00 61.98 58.85 2k3f s VAL 56 Cb -0.15 -3.71 0.04 0.00 -1.53 0.00 0.00 36.38 31.04 2k3f s VAL 56 CO 0.24 -0.18 0.03 -0.69 -3.33 0.00 0.00 175.10 171.17 2k3f s VAL 57 N -1.84 0.31 -0.09 2.04 1.01 0.31 -2.34 120.40 119.81 2k3f s VAL 57 Ca 0.34 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.23 2k3f s VAL 57 Cb -0.10 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 2k3f s VAL 57 CO 0.28 0.06 0.03 -0.63 0.00 0.00 0.00 175.10 174.84 2k3f s ILE 58 N 1.98 4.55 -0.38 2.22 1.01 -0.61 -0.54 121.20 129.43 2k3f s ILE 58 Ca 0.03 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.52 2k3f s ILE 58 Cb -0.14 -2.94 0.11 0.00 0.01 0.00 0.00 42.46 39.51 2k3f s ILE 58 CO -0.06 0.59 0.15 -0.89 0.00 0.00 0.00 174.94 174.72 2k3f s THR 59 N -0.93 1.57 0.06 2.92 2.01 0.39 0.76 115.64 122.42 2k3f s THR 59 Ca 0.14 -2.19 -0.23 0.00 0.31 0.00 0.00 61.69 59.71 2k3f s THR 59 Cb -0.11 -2.14 -0.06 0.00 0.01 0.00 0.00 72.50 70.19 2k3f s THR 59 CO 0.03 -0.74 0.71 0.54 -0.69 0.00 0.00 174.62 174.48 2k3f s VAL 60 N 0.85 4.71 0.59 3.82 0.11 0.63 -2.46 120.40 128.66 2k3f s VAL 60 Ca 0.13 1.52 0.03 0.00 -2.93 0.00 0.00 61.98 60.72 2k3f s VAL 60 Cb -0.21 -4.06 0.06 0.00 -1.53 0.00 0.00 36.38 30.65 2k3f s VAL 60 CO -0.10 0.42 0.82 -0.31 -3.33 0.00 0.00 175.10 172.59 2k3f s TYR 61 N -0.35 2.30 0.45 1.54 2.02 0.13 0.12 117.35 123.55 2k3f s TYR 61 Ca 0.35 -0.23 0.40 0.00 -0.37 0.00 0.00 57.07 57.23 2k3f s TYR 61 Cb -0.20 -2.71 2.08 0.00 -0.40 0.00 0.00 41.96 40.73 2k3f s TYR 61 CO 0.22 -1.10 2.22 0.93 -1.57 0.00 0.00 175.55 176.24 2k3f h GLU 62 N -0.02 0.00 0.00 -0.62 5.08 0.10 0.13 114.58 119.25 2k3f h GLU 62 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2k3f h GLU 62 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2k3f h GLU 62 CO 0.46 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.22 2k3f n ASP 63 N -2.98 0.26 0.00 1.42 9.92 -1.26 -4.84 116.55 119.07 2k3f n ASP 63 Ca -0.02 0.53 0.00 0.00 -0.53 0.00 0.00 54.79 54.77 2k3f n ASP 63 Cb 0.11 -0.60 0.00 0.00 -0.64 0.00 0.00 41.12 40.00 2k3f n ASP 63 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2k3f n LYS 64 N -1.75 0.00 -1.17 -1.24 5.02 0.45 -5.05 118.16 114.43 2k3f n LYS 64 Ca 0.06 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.06 2k3f n LYS 64 Cb 0.34 -2.30 0.21 0.00 -0.02 0.00 0.00 35.03 33.26 2k3f n LYS 64 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2k3f s SER 65 N -2.88 1.70 0.18 4.39 0.01 -1.25 -4.26 113.70 111.59 2k3f s SER 65 Ca 0.00 0.81 -0.19 0.00 1.31 0.00 0.00 55.95 57.88 2k3f s SER 65 Cb 0.00 -1.21 0.07 0.00 0.21 0.00 0.00 66.02 65.09 2k3f s SER 65 CO 0.00 -3.66 0.93 2.22 0.41 0.00 0.00 173.24 173.14 2k3f n PHE 66 N -4.48 -1.35 -3.83 2.43 -1.74 -1.26 0.21 117.46 107.43 2k3f n PHE 66 Ca 0.10 -1.20 -0.07 0.00 -0.56 0.00 0.00 57.45 55.73 2k3f n PHE 66 Cb 0.59 0.58 -0.01 0.00 1.52 0.00 0.00 39.48 42.16 2k3f n PHE 66 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 2k3f s THR 67 N -2.11 0.00 0.04 1.97 -4.23 -1.03 -4.95 115.64 105.34 2k3f s THR 67 Ca 0.21 -0.92 -0.27 0.00 -1.18 0.00 0.00 61.69 59.52 2k3f s THR 67 Cb -0.03 -2.19 0.09 0.00 1.34 0.00 0.00 72.50 71.71 2k3f s THR 67 CO 0.05 0.00 0.76 0.72 -0.54 0.00 0.00 174.62 175.61 2k3f s PHE 68 N -3.46 -0.47 0.26 3.99 -0.71 -1.26 -0.46 117.98 115.88 2k3f s PHE 68 Ca 0.12 0.42 0.05 0.00 -1.04 0.00 0.00 56.93 56.49 2k3f s PHE 68 Cb -0.05 0.52 -0.06 0.00 -1.21 0.00 0.00 43.02 42.23 2k3f s PHE 68 CO 0.07 -0.66 -0.04 0.96 -1.34 0.00 0.00 175.22 174.21 2k3f s ILE 69 N -2.93 1.42 -0.04 -4.49 -4.36 0.30 -4.94 121.20 106.16 2k3f s ILE 69 Ca 0.01 -2.09 -0.01 0.00 -0.26 0.00 0.00 60.65 58.29 2k3f s ILE 69 Cb -0.01 -2.39 0.03 0.00 1.25 0.00 0.00 42.46 41.34 2k3f s ILE 69 CO -0.07 -0.32 0.04 -0.63 0.24 0.00 0.00 174.94 174.19 2k3f s ILE 70 N -3.16 0.03 -0.83 8.37 1.01 -1.26 -0.53 121.20 124.83 2k3f s ILE 70 Ca 0.29 0.29 -0.25 0.00 0.00 0.00 0.00 60.65 60.97 2k3f s ILE 70 Cb 0.04 -0.23 0.01 0.00 0.01 0.00 0.00 42.46 42.30 2k3f s ILE 70 CO 0.10 0.17 1.58 -0.54 0.00 0.00 0.00 174.94 176.26 2k3f s LYS 71 N 1.78 3.07 0.43 2.79 -0.14 0.66 -4.82 119.74 123.50 2k3f s LYS 71 Ca 0.00 -0.34 0.09 0.00 -1.36 0.00 0.00 55.97 54.36 2k3f s LYS 71 Cb -0.12 -4.75 0.93 0.00 -1.68 0.00 0.00 37.83 32.21 2k3f s LYS 71 CO -0.03 -2.53 2.07 1.15 -0.76 0.00 0.00 175.35 175.25 2k3f h THR 72 N 6.67 1.08 -0.89 2.17 2.02 -1.95 -3.38 112.91 118.63 2k3f h THR 72 Ca -0.06 -0.16 0.19 0.00 0.77 0.00 0.00 66.41 67.15 2k3f h THR 72 Cb 1.05 0.57 -0.11 0.00 -1.74 0.00 0.00 68.15 67.92 2k3f h THR 72 CO 1.30 0.09 0.45 1.55 0.37 0.00 0.00 175.52 179.27 2k3f h PRO 73 N 0.47 0.53 -1.44 6.66 0.13 -1.88 -2.66 132.00 133.82 2k3f h PRO 73 Ca 0.13 -0.03 0.42 0.00 -0.87 0.00 0.00 66.00 65.65 2k3f h PRO 73 Cb -0.03 -0.12 -0.07 0.00 0.13 0.00 0.00 31.00 30.91 2k3f h PRO 73 CO -0.03 0.35 1.01 -1.35 -0.23 0.00 0.00 178.00 177.75 2k3f h PRO 74 N 0.54 0.04 0.00 1.56 0.11 -2.00 -3.44 132.00 128.81 2k3f h PRO 74 Ca 0.53 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 2k3f h PRO 74 Cb 0.89 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2k3f h PRO 74 CO -0.44 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 177.38 2k3f n ALA 75 N -2.76 0.00 -0.24 -0.75 0.00 -1.00 -4.64 120.51 111.12 2k3f n ALA 75 Ca 0.33 0.00 0.29 0.00 0.00 0.00 0.00 53.44 54.06 2k3f n ALA 75 Cb 1.48 0.00 0.69 0.00 0.00 0.00 0.00 19.45 21.61 2k3f n ALA 75 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2k3f h SER 76 N 0.00 0.09 0.54 0.00 0.02 -1.89 0.98 113.55 113.29 2k3f h SER 76 Ca 0.00 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 2k3f h SER 76 Cb 0.00 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.54 2k3f h SER 76 CO 0.00 0.02 -0.26 -0.26 -1.14 0.00 0.00 176.83 175.20 2k3f h PHE 77 N 0.08 -0.67 0.00 3.45 0.04 -1.94 -1.85 116.94 116.06 2k3f h PHE 77 Ca 0.49 -0.02 -0.14 0.00 2.80 0.00 0.00 57.97 61.11 2k3f h PHE 77 Cb 1.80 0.22 -0.02 0.00 2.20 0.00 0.00 35.95 40.15 2k3f h PHE 77 CO -0.00 -0.39 -0.66 -0.07 -0.60 0.00 0.00 178.31 176.59 2k3f h LEU 78 N -0.78 0.00 0.00 1.54 -0.00 -1.44 -2.67 115.31 111.96 2k3f h LEU 78 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2k3f h LEU 78 Cb 0.58 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.23 2k3f h LEU 78 CO 0.12 0.66 -0.02 -0.07 -0.00 0.00 0.00 178.44 179.13 2k3f h LEU 79 N 0.00 -0.05 -1.09 1.67 -0.00 -0.90 -1.58 115.31 113.36 2k3f h LEU 79 Ca -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2k3f h LEU 79 Cb 1.44 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 42.12 2k3f h LEU 79 CO 0.09 -0.03 0.00 0.11 -0.00 0.00 0.00 178.44 178.61 2k3f h LYS 80 N -0.03 0.00 -0.79 1.13 1.57 -1.24 0.50 116.57 117.71 2k3f h LYS 80 Ca 0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2k3f h LYS 80 Cb 0.04 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 2k3f h LYS 80 CO -0.02 0.00 0.42 -0.22 -0.57 0.00 0.00 179.45 179.06 2k3f h LYS 81 N 0.00 1.11 0.00 3.15 1.63 -0.93 -3.32 116.57 118.21 2k3f h LYS 81 Ca 0.00 -0.13 -0.03 0.00 -0.85 0.00 0.00 60.65 59.63 2k3f h LYS 81 Cb 0.25 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 2k3f h LYS 81 CO 0.00 0.82 -0.39 0.00 -3.45 0.00 0.00 179.45 176.44 2k3f h ALA 82 N 1.35 0.04 -2.01 5.00 0.00 -1.19 -3.45 119.26 118.99 2k3f h ALA 82 Ca 0.28 -0.44 -0.58 0.00 0.00 0.00 0.00 54.91 54.17 2k3f h ALA 82 Cb 0.05 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2k3f h ALA 82 CO -0.04 0.30 1.40 0.00 0.00 0.00 0.00 179.25 180.91 2k3f s ALA 83 N -2.55 2.90 -1.31 0.00 0.00 0.17 -4.81 121.76 116.15 2k3f s ALA 83 Ca -0.12 0.74 0.11 0.00 0.00 0.00 0.00 51.96 52.69 2k3f s ALA 83 Cb 0.01 -4.02 0.45 0.00 0.00 0.00 0.00 23.12 19.56 2k3f s ALA 83 CO 0.26 -2.55 1.30 0.41 0.00 0.00 0.00 175.76 175.18 2k3f n GLY 84 N 5.47 1.73 3.73 0.00 0.00 -1.26 -4.35 105.19 110.50 2k3f n GLY 84 Ca 0.27 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 2k3f n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k3f s ILE 85 N -1.72 2.34 -0.45 -0.61 -4.36 -1.26 -5.00 121.20 110.15 2k3f s ILE 85 Ca 0.32 0.17 0.05 0.00 -0.26 0.00 0.00 60.65 60.93 2k3f s ILE 85 Cb 0.20 -2.77 0.27 0.00 1.25 0.00 0.00 42.46 41.42 2k3f s ILE 85 CO 0.16 -0.09 1.04 1.21 0.24 0.00 0.00 174.94 177.50 2k3f n GLU 86 N -2.63 0.73 0.00 0.37 4.07 -1.26 -5.02 120.64 116.89 2k3f n GLU 86 Ca 0.13 -1.59 0.00 0.00 -0.06 0.00 0.00 57.16 55.64 2k3f n GLU 86 Cb 0.50 -1.09 0.00 0.00 -0.06 0.00 0.00 31.44 30.79 2k3f n GLU 86 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2k3f n LYS 87 N 1.17 0.00 -0.52 5.31 4.81 -1.26 -4.57 118.16 123.10 2k3f n LYS 87 Ca 0.06 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.56 2k3f n LYS 87 Cb 0.67 0.00 0.26 0.00 0.02 0.00 0.00 35.03 35.98 2k3f n LYS 87 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k3f n GLY 88 N 0.00 2.20 0.00 3.14 0.00 -1.26 -4.22 105.19 105.05 2k3f n GLY 88 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2k3f n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k3f n SER 89 N 0.58 0.00 0.00 1.61 2.88 -1.26 -4.88 113.62 112.56 2k3f n SER 89 Ca 0.18 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 2k3f n SER 89 Cb 0.77 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 2k3f n SER 89 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k3f n SER 90 N -1.75 0.00 -2.86 -3.46 7.64 -1.26 -4.59 113.62 107.34 2k3f n SER 90 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 2k3f n SER 90 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 2k3f n SER 90 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2k3f s GLU 91 N 0.00 0.55 -0.01 1.43 2.12 -1.26 -4.84 118.70 116.70 2k3f s GLU 91 Ca 0.00 -0.36 0.19 0.00 0.36 0.00 0.00 54.97 55.16 2k3f s GLU 91 Cb 0.00 0.02 -0.23 0.00 0.26 0.00 0.00 34.13 34.18 2k3f s GLU 91 CO 0.00 -0.73 0.73 -0.35 -0.54 0.00 0.00 175.26 174.37 2k3f n PRO 92 N 3.47 0.65 0.00 4.30 -0.04 -1.26 -5.00 135.00 137.13 2k3f n PRO 92 Ca 0.11 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2k3f n PRO 92 Cb 0.60 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 2k3f n PRO 92 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2k3f n LYS 93 N -1.61 0.00 -3.00 0.54 4.81 -1.26 -5.08 118.16 112.56 2k3f n LYS 93 Ca 0.02 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.43 2k3f n LYS 93 Cb 0.34 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.39 2k3f n LYS 93 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2k3f s ARG 94 N -0.09 0.94 0.00 1.64 3.00 -1.26 -4.91 118.95 118.28 2k3f s ARG 94 Ca 0.00 -0.75 0.00 0.00 -1.00 0.00 0.00 55.73 53.98 2k3f s ARG 94 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 34.95 34.88 2k3f s ARG 94 CO 0.00 -1.27 0.00 1.17 0.00 0.00 0.00 175.30 175.20 2k3f n LYS 95 N 3.63 0.00 -2.25 5.12 3.00 -1.26 -4.96 118.16 121.43 2k3f n LYS 95 Ca 0.15 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.20 2k3f n LYS 95 Cb 0.56 -1.93 0.13 0.00 0.00 0.00 0.00 35.03 33.78 2k3f n LYS 95 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2k3f s ILE 96 N -3.14 2.12 0.00 3.15 1.01 -1.26 -4.82 121.20 118.26 2k3f s ILE 96 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.35 2k3f s ILE 96 Cb 0.00 -2.82 0.00 0.00 0.01 0.00 0.00 42.46 39.65 2k3f s ILE 96 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 174.94 175.49 2k3f n VAL 97 N -3.20 0.00 -3.68 2.92 3.14 -0.05 -4.14 118.33 113.32 2k3f n VAL 97 Ca 0.13 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.42 2k3f n VAL 97 Cb 0.60 -0.32 -0.02 0.00 -1.06 0.00 0.00 33.84 33.04 2k3f n VAL 97 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2k3f s GLY 98 N -4.22 -0.27 0.24 7.55 0.00 -1.19 -4.61 107.32 104.82 2k3f s GLY 98 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 44.72 44.58 2k3f s GLY 98 CO 0.00 -0.03 0.48 -1.59 0.00 0.00 0.00 173.10 171.96 2k3f s LYS 99 N -3.85 1.54 0.00 2.90 -2.85 -1.26 -2.31 119.74 113.91 2k3f s LYS 99 Ca 0.07 -1.23 0.00 0.00 -1.00 0.00 0.00 55.97 53.81 2k3f s LYS 99 Cb -0.03 0.47 0.00 0.00 -2.06 0.00 0.00 37.83 36.21 2k3f s LYS 99 CO -0.02 -0.64 0.00 1.33 0.10 0.00 0.00 175.35 176.12 2k3f n VAL 100 N -0.38 0.00 -3.58 1.79 0.24 -0.67 -4.57 118.33 111.16 2k3f n VAL 100 Ca -0.02 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.14 2k3f n VAL 100 Cb 0.62 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.92 2k3f n VAL 100 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2k3f s THR 101 N -0.45 0.00 0.26 3.34 -1.32 -1.26 0.45 115.64 116.66 2k3f s THR 101 Ca 0.00 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.38 2k3f s THR 101 Cb 0.00 -1.00 0.40 0.00 -1.51 0.00 0.00 72.50 70.39 2k3f s THR 101 CO 0.00 0.00 1.57 0.03 -2.21 0.00 0.00 174.62 174.01 2k3f h ARG 102 N 3.81 -0.00 -0.70 7.08 2.47 -1.53 0.11 114.38 125.62 2k3f h ARG 102 Ca -0.27 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.52 2k3f h ARG 102 Cb 1.16 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.42 2k3f h ARG 102 CO 0.22 -0.00 0.39 -0.22 0.56 0.00 0.00 179.97 180.92 2k3f h LYS 103 N -0.00 0.68 -0.09 0.04 1.63 -1.96 0.11 116.57 116.98 2k3f h LYS 103 Ca 0.44 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.19 2k3f h LYS 103 Cb 0.67 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.14 2k3f h LYS 103 CO -0.94 0.45 0.05 0.37 -3.45 0.00 0.00 179.45 175.93 2k3f h GLN 104 N 0.70 0.12 -0.98 1.90 -0.00 -1.25 -1.57 115.11 114.03 2k3f h GLN 104 Ca 0.32 -0.01 0.16 0.00 -0.00 0.00 0.00 58.65 59.12 2k3f h GLN 104 Cb 0.23 -0.02 -0.16 0.00 0.00 0.00 0.00 27.48 27.52 2k3f h GLN 104 CO -0.20 0.15 -0.37 0.82 0.00 0.00 0.00 178.83 179.23 2k3f h ILE 105 N 0.06 0.01 -0.08 2.39 1.08 -0.42 -1.17 117.51 119.38 2k3f h ILE 105 Ca 0.03 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.54 2k3f h ILE 105 Cb 0.06 0.01 -0.06 0.00 -3.07 0.00 0.00 36.82 33.76 2k3f h ILE 105 CO -0.01 0.00 -0.39 -0.08 -0.69 0.00 0.00 178.15 176.99 2k3f h GLU 106 N -0.01 -0.48 0.10 2.37 4.81 -0.19 0.59 114.58 121.78 2k3f h GLU 106 Ca 0.36 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.64 2k3f h GLU 106 Cb 0.61 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.05 2k3f h GLU 106 CO -0.98 -0.32 -0.47 0.93 -0.73 0.00 0.00 179.01 177.44 2k3f h GLU 107 N -0.49 -0.66 -0.47 1.92 4.39 -0.50 0.50 114.58 119.26 2k3f h GLU 107 Ca 0.07 0.05 0.10 0.00 0.34 0.00 0.00 59.36 59.91 2k3f h GLU 107 Cb 0.61 0.15 -0.09 0.00 -0.10 0.00 0.00 28.75 29.32 2k3f h GLU 107 CO -0.35 -0.44 -0.14 0.82 -1.16 0.00 0.00 179.01 177.74 2k3f h ILE 108 N -0.69 0.49 -0.96 3.13 1.08 -1.10 0.64 117.51 120.11 2k3f h ILE 108 Ca 0.01 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.70 2k3f h ILE 108 Cb 0.71 0.49 -0.08 0.00 -3.07 0.00 0.00 36.82 34.88 2k3f h ILE 108 CO -0.27 0.00 0.62 0.00 -0.69 0.00 0.00 178.15 177.81 2k3f h ALA 109 N 1.42 2.11 0.17 1.87 0.00 0.14 -2.75 119.26 122.22 2k3f h ALA 109 Ca 0.23 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2k3f h ALA 109 Cb 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2k3f h ALA 109 CO -0.50 -0.44 -0.08 0.87 0.00 0.00 0.00 179.25 179.10 2k3f h LYS 110 N 0.48 -0.22 -0.55 0.00 1.57 0.21 -1.85 116.57 116.21 2k3f h LYS 110 Ca 0.52 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.48 2k3f h LYS 110 Cb 1.20 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.53 2k3f h LYS 110 CO -0.24 0.21 0.45 0.00 -0.57 0.00 0.00 179.45 179.29 2k3f h THR 111 N -0.81 0.57 -0.06 -0.16 1.03 -0.88 -0.33 112.91 112.27 2k3f h THR 111 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.38 2k3f h THR 111 Cb 0.53 0.68 0.00 0.00 -1.07 0.00 0.00 68.15 68.28 2k3f h THR 111 CO 0.04 0.00 0.00 2.29 -0.01 0.00 0.00 175.52 177.84 2k3f n LYS 112 N -4.13 1.96 -0.22 0.00 2.85 -1.11 -4.73 118.16 112.77 2k3f n LYS 112 Ca 0.10 -2.39 0.03 0.00 -1.05 0.00 0.00 58.31 55.00 2k3f n LYS 112 Cb 0.67 -1.45 0.13 0.00 -0.65 0.00 0.00 35.03 33.73 2k3f n LYS 112 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 2k3f h MET 113 N 0.40 0.17 0.00 -1.58 4.05 -0.16 0.14 114.93 117.94 2k3f h MET 113 Ca 0.00 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 2k3f h MET 113 Cb 0.96 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.72 2k3f h MET 113 CO 0.04 0.11 -0.04 -1.00 0.23 0.00 0.00 176.91 176.24 2k3f h PRO 114 N 0.17 0.00 0.03 0.39 0.13 -1.85 -2.32 132.00 128.56 2k3f h PRO 114 Ca 0.36 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 65.14 2k3f h PRO 114 Cb 0.60 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.69 2k3f h PRO 114 CO -0.53 0.04 -1.95 -0.25 -0.23 0.00 0.00 178.00 175.08 2k3f n ASP 115 N -3.85 1.97 0.00 1.44 8.00 -0.41 -3.99 116.55 119.72 2k3f n ASP 115 Ca -0.03 0.26 0.02 0.00 0.71 0.00 0.00 54.79 55.75 2k3f n ASP 115 Cb 0.13 -0.82 0.09 0.00 -0.02 0.00 0.00 41.12 40.50 2k3f n ASP 115 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2k3f n LEU 116 N -3.95 0.00 -2.93 0.64 4.32 0.36 -4.79 117.00 110.65 2k3f n LEU 116 Ca -0.40 0.22 -0.17 0.00 -0.02 0.00 0.00 56.01 55.64 2k3f n LEU 116 Cb 0.88 -0.22 0.07 0.00 -1.62 0.00 0.00 43.42 42.52 2k3f n LEU 116 CO 0.23 -0.19 0.15 0.59 -1.22 0.00 0.00 177.39 176.95 2k3f n ASN 117 N -1.22 -4.15 -4.59 -1.43 5.03 -1.13 -4.91 115.26 102.86 2k3f n ASN 117 Ca 0.02 -0.45 -0.43 0.00 0.87 0.00 0.00 54.58 54.59 2k3f n ASN 117 Cb 0.02 -4.11 -0.02 0.00 -1.02 0.00 0.00 39.78 34.65 2k3f n ASN 117 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k3f s ALA 118 N -3.26 3.13 0.23 5.41 0.00 -0.89 -4.86 121.76 121.51 2k3f s ALA 118 Ca 0.29 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.63 2k3f s ALA 118 Cb -0.13 -3.90 0.23 0.00 0.00 0.00 0.00 23.12 19.32 2k3f s ALA 118 CO 0.58 -2.33 1.62 -2.95 0.00 0.00 0.00 175.76 172.68 2k3f h ASN 119 N 9.29 0.66 -4.21 0.00 -1.07 -1.91 -3.44 115.58 114.90 2k3f h ASN 119 Ca -0.24 -0.26 -0.16 0.00 0.07 0.00 0.00 56.30 55.71 2k3f h ASN 119 Cb 1.06 -0.18 -0.24 0.00 -2.07 0.00 0.00 38.32 36.89 2k3f h ASN 119 CO 1.13 0.93 -0.46 -0.94 0.07 0.00 0.00 177.43 178.16 2k3f s SER 120 N -6.81 -0.15 0.54 6.14 1.04 -1.26 -5.06 113.70 108.14 2k3f s SER 120 Ca -0.08 0.23 0.28 0.00 0.48 0.00 0.00 55.95 56.86 2k3f s SER 120 Cb 0.13 0.36 1.44 0.00 0.10 0.00 0.00 66.02 68.05 2k3f s SER 120 CO 0.82 -0.18 1.96 0.25 0.98 0.00 0.00 173.24 177.07 2k3f h LEU 121 N 5.25 0.00 -1.61 2.42 5.85 -1.96 0.99 115.31 126.25 2k3f h LEU 121 Ca -0.27 0.00 0.24 0.00 0.84 0.00 0.00 57.88 58.69 2k3f h LEU 121 Cb 1.19 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.16 2k3f h LEU 121 CO 0.38 0.00 0.65 -0.33 -0.34 0.00 0.00 178.44 178.80 2k3f h GLU 122 N 0.00 0.28 -0.01 1.25 3.07 -1.99 0.23 114.58 117.41 2k3f h GLU 122 Ca 0.29 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.13 2k3f h GLU 122 Cb 1.22 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 29.07 2k3f h GLU 122 CO -0.00 0.18 -0.01 0.00 -1.40 0.00 0.00 179.01 177.78 2k3f h ALA 123 N 1.58 0.01 -0.66 3.43 0.00 -1.22 -3.03 119.26 119.38 2k3f h ALA 123 Ca 0.50 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 55.21 2k3f h ALA 123 Cb 1.46 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 2k3f h ALA 123 CO -0.16 -0.21 0.44 0.00 0.00 0.00 0.00 179.25 179.32 2k3f h ALA 124 N 0.46 1.80 -0.98 0.00 0.00 -1.10 -0.43 119.26 119.01 2k3f h ALA 124 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.99 2k3f h ALA 124 Cb 0.56 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 2k3f h ALA 124 CO 0.00 0.09 0.62 0.52 0.00 0.00 0.00 179.25 180.48 2k3f h MET 125 N 0.63 0.98 0.19 0.00 2.86 -0.57 -2.29 114.93 116.73 2k3f h MET 125 Ca 0.29 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 2k3f h MET 125 Cb 0.32 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2k3f h MET 125 CO -0.09 0.65 -0.09 0.87 1.06 0.00 0.00 176.91 179.31 2k3f h LYS 126 N 1.01 -0.24 0.17 1.72 1.79 -0.96 -0.45 116.57 119.61 2k3f h LYS 126 Ca 0.46 0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.96 2k3f h LYS 126 Cb 0.39 0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.06 2k3f h LYS 126 CO -0.22 -0.00 -0.48 0.97 -1.08 0.00 0.00 179.45 178.64 2k3f h ILE 127 N -0.46 0.07 -0.21 1.86 -0.00 -1.33 0.71 117.51 118.15 2k3f h ILE 127 Ca -0.03 0.00 0.05 0.00 -0.00 0.00 0.00 64.86 64.89 2k3f h ILE 127 Cb 0.35 0.07 -0.07 0.00 -0.00 0.00 0.00 36.82 37.17 2k3f h ILE 127 CO 0.04 0.00 -0.37 0.40 -0.00 0.00 0.00 178.15 178.22 2k3f h ILE 128 N -0.74 0.20 -0.84 2.19 1.08 -1.43 1.04 117.51 119.01 2k3f h ILE 128 Ca 0.00 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.61 2k3f h ILE 128 Cb 0.74 0.20 -0.09 0.00 -3.07 0.00 0.00 36.82 34.60 2k3f h ILE 128 CO -0.24 0.00 0.43 -0.33 -0.69 0.00 0.00 178.15 177.32 2k3f h GLU 129 N -0.40 0.62 -0.02 2.37 5.08 -0.95 -0.04 114.58 121.24 2k3f h GLU 129 Ca 0.11 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 2k3f h GLU 129 Cb 0.58 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.70 2k3f h GLU 129 CO -0.43 0.41 -0.38 0.78 -1.00 0.00 0.00 179.01 178.39 2k3f h GLY 130 N 0.64 0.33 -0.36 -3.84 0.00 0.16 0.22 103.07 100.22 2k3f h GLY 130 Ca 0.45 -0.53 0.05 0.00 0.00 0.00 0.00 47.33 47.29 2k3f h GLY 130 CO -0.34 0.47 -0.55 -0.84 0.00 0.00 0.00 176.54 175.28 2k3f h THR 131 N -0.27 0.01 -0.39 4.70 2.02 0.12 0.23 112.91 119.33 2k3f h THR 131 Ca -0.04 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.22 2k3f h THR 131 Cb 1.09 0.01 -0.07 0.00 -1.74 0.00 0.00 68.15 67.43 2k3f h THR 131 CO 0.08 0.00 -0.10 0.00 0.37 0.00 0.00 175.52 175.87 2k3f h ALA 132 N -0.04 0.26 -0.67 6.16 0.00 -0.98 -2.10 119.26 121.89 2k3f h ALA 132 Ca 0.07 0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.27 2k3f h ALA 132 Cb 0.61 0.30 -0.13 0.00 0.00 0.00 0.00 17.79 18.57 2k3f h ALA 132 CO -0.57 -0.45 -0.20 -0.22 0.00 0.00 0.00 179.25 177.80 2k3f h LYS 133 N -0.00 -0.03 -0.79 0.00 3.64 0.26 0.17 116.57 119.82 2k3f h LYS 133 Ca 0.19 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2k3f h LYS 133 Cb 0.29 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 2k3f h LYS 133 CO -0.40 -0.02 0.46 0.77 -2.27 0.00 0.00 179.45 177.99 2k3f h SER 134 N -0.03 0.95 -0.35 4.20 0.02 0.12 -2.83 113.55 115.62 2k3f h SER 134 Ca 0.31 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2k3f h SER 134 Cb 0.51 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2k3f h SER 134 CO -0.70 0.74 0.00 1.15 -1.14 0.00 0.00 176.83 176.88 2k3f n MET 135 N -4.37 2.96 -0.54 3.45 0.00 -0.62 -4.87 117.12 113.13 2k3f n MET 135 Ca 0.08 -1.75 0.00 0.00 0.00 0.00 0.00 57.70 56.03 2k3f n MET 135 Cb 0.07 -1.80 0.00 0.00 0.00 0.00 0.00 33.22 31.49 2k3f n MET 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k3f n GLY 136 N 0.55 0.71 3.68 3.17 0.00 -1.07 -4.81 105.19 107.43 2k3f n GLY 136 Ca 0.16 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2k3f n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k3f s ILE 137 N -2.00 5.35 0.40 -0.61 1.09 -0.05 -0.87 121.20 124.51 2k3f s ILE 137 Ca 0.00 0.28 -0.08 0.00 -1.10 0.00 0.00 60.65 59.75 2k3f s ILE 137 Cb 0.00 -3.53 -0.05 0.00 -1.06 0.00 0.00 42.46 37.81 2k3f s ILE 137 CO 0.00 0.36 0.73 -0.70 -0.10 0.00 0.00 174.94 175.23 2k3f s GLU 138 N 0.86 3.68 -0.16 2.79 2.12 -0.98 -3.34 118.70 123.68 2k3f s GLU 138 Ca 0.10 0.29 -0.00 0.00 0.36 0.00 0.00 54.97 55.72 2k3f s GLU 138 Cb -0.13 -2.44 -0.00 0.00 0.26 0.00 0.00 34.13 31.82 2k3f s GLU 138 CO 0.03 -0.03 -0.14 0.14 -0.54 0.00 0.00 175.26 174.72 2k3f s VAL 139 N -2.41 2.74 0.13 3.70 -7.23 -1.26 -1.67 120.40 114.40 2k3f s VAL 139 Ca 0.49 -0.74 0.04 0.00 -1.81 0.00 0.00 61.98 59.95 2k3f s VAL 139 Cb -0.10 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 2k3f s VAL 139 CO 0.35 0.51 0.12 0.68 -0.31 0.00 0.00 175.10 176.45 2k3f s VAL 140 N 0.82 4.56 -2.00 1.32 -7.23 0.17 -4.84 120.40 113.20 2k3f s VAL 140 Ca -0.05 -0.92 0.07 0.00 -1.81 0.00 0.00 61.98 59.27 2k3f s VAL 140 Cb -0.15 -3.27 0.19 0.00 0.56 0.00 0.00 36.38 33.71 2k3f s VAL 140 CO 0.00 -0.01 0.87 -0.90 -0.31 0.00 0.00 175.10 174.75