#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3f n ALA 2 N 0.00 0.99 -2.25 3.04 0.00 -1.26 -5.12 120.51 115.92 2k3f n ALA 2 Ca 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 2k3f n ALA 2 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2k3f n ALA 2 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k3f s LYS 3 N -0.20 1.20 -0.24 0.00 1.02 -1.26 -5.12 119.74 115.14 2k3f s LYS 3 Ca 0.00 -1.62 -0.28 0.00 0.02 0.00 0.00 55.97 54.09 2k3f s LYS 3 Cb 0.00 -0.09 0.01 0.00 -0.52 0.00 0.00 37.83 37.23 2k3f s LYS 3 CO 0.00 -0.26 1.01 0.15 -0.92 0.00 0.00 175.35 175.33 2k3f s LYS 4 N -4.02 4.24 0.45 1.68 1.02 -1.26 -4.98 119.74 116.87 2k3f s LYS 4 Ca 0.32 1.28 -0.24 0.00 0.02 0.00 0.00 55.97 57.35 2k3f s LYS 4 Cb 0.07 -3.65 -0.07 0.00 -0.52 0.00 0.00 37.83 33.66 2k3f s LYS 4 CO 0.08 -0.63 1.24 0.08 -0.92 0.00 0.00 175.35 175.21 2k3f s VAL 5 N 3.17 2.80 -0.06 3.17 1.01 -1.26 0.90 120.40 130.12 2k3f s VAL 5 Ca 0.43 0.64 0.02 0.00 0.00 0.00 0.00 61.98 63.07 2k3f s VAL 5 Cb -0.15 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 2k3f s VAL 5 CO 0.07 0.03 -0.03 0.00 0.00 0.00 0.00 175.10 175.17 2k3f n ALA 6 N -0.33 1.86 -3.50 5.51 0.00 0.37 -4.32 120.51 120.11 2k3f n ALA 6 Ca 0.06 -0.31 -0.17 0.00 0.00 0.00 0.00 53.44 53.02 2k3f n ALA 6 Cb 0.46 0.27 -0.06 0.00 0.00 0.00 0.00 19.45 20.12 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 -2.13 -1.71 -0.15 0.00 0.00 -0.25 -4.98 121.76 112.53 2k3f s ALA 7 Ca -0.07 1.19 -0.16 0.00 0.00 0.00 0.00 51.96 52.91 2k3f s ALA 7 Cb 0.02 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 2k3f s ALA 7 CO 0.18 -0.41 0.40 -0.65 0.00 0.00 0.00 175.76 175.28 2k3f s GLN 8 N -1.49 4.29 -0.65 0.00 -1.52 -1.26 -0.26 119.66 118.76 2k3f s GLN 8 Ca -0.10 0.29 0.05 0.00 -1.95 0.00 0.00 55.36 53.65 2k3f s GLN 8 Cb -0.00 -3.45 0.16 0.00 -0.22 0.00 0.00 33.01 29.50 2k3f s GLN 8 CO 0.07 0.15 0.44 0.42 -0.25 0.00 0.00 175.29 176.12 2k3f s ILE 9 N 0.70 2.71 0.37 1.08 -1.09 0.16 -4.93 121.20 120.21 2k3f s ILE 9 Ca 0.22 -4.00 -0.24 0.00 -2.23 0.00 0.00 60.65 54.39 2k3f s ILE 9 Cb -0.14 -2.81 -0.10 0.00 -1.58 0.00 0.00 42.46 37.83 2k3f s ILE 9 CO 0.08 -0.97 0.97 -0.54 -1.23 0.00 0.00 174.94 173.24 2k3f s LYS 10 N -1.14 4.40 -0.22 2.79 1.02 -1.26 -1.49 119.74 123.83 2k3f s LYS 10 Ca 0.23 1.32 -0.16 0.00 0.02 0.00 0.00 55.97 57.38 2k3f s LYS 10 Cb -0.09 -2.59 0.06 0.00 -0.52 0.00 0.00 37.83 34.70 2k3f s LYS 10 CO -0.13 0.11 0.57 -0.51 -0.92 0.00 0.00 175.35 174.47 2k3f s LEU 11 N -2.47 -0.40 -0.40 3.17 1.02 -1.12 -4.95 118.68 113.54 2k3f s LEU 11 Ca 0.55 1.20 -0.20 0.00 0.02 0.00 0.00 54.13 55.70 2k3f s LEU 11 Cb -0.17 1.95 0.01 0.00 0.02 0.00 0.00 46.19 48.00 2k3f s LEU 11 CO 0.22 -0.21 0.62 -1.10 0.02 0.00 0.00 176.35 175.90 2k3f s GLN 12 N 0.96 3.46 -0.04 1.70 -1.52 -1.26 -0.33 119.66 122.63 2k3f s GLN 12 Ca -0.05 -0.21 0.02 0.00 -1.95 0.00 0.00 55.36 53.17 2k3f s GLN 12 Cb -0.05 -3.88 0.01 0.00 -0.22 0.00 0.00 33.01 28.86 2k3f s GLN 12 CO -0.09 -0.87 -0.09 -0.51 -0.25 0.00 0.00 175.29 173.48 2k3f s LEU 13 N 2.71 1.71 0.00 2.90 1.43 0.24 -4.82 118.68 122.85 2k3f s LEU 13 Ca 0.22 -0.21 -0.33 0.00 -1.03 0.00 0.00 54.13 52.79 2k3f s LEU 13 Cb -0.14 -0.61 -0.11 0.00 0.03 0.00 0.00 46.19 45.35 2k3f s LEU 13 CO 0.17 0.05 1.85 -2.65 0.23 0.00 0.00 176.35 176.00 2k3f n PRO 14 N 3.47 2.40 -1.78 1.29 -0.02 -1.23 0.86 135.00 139.99 2k3f n PRO 14 Ca -0.20 0.88 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 2k3f n PRO 14 Cb 0.53 -2.74 -0.03 0.00 -0.02 0.00 0.00 33.50 31.24 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 3.53 3.79 0.00 3.55 0.00 0.40 -0.41 121.76 132.62 2k3f s ALA 15 Ca 0.89 1.43 0.00 0.00 0.00 0.00 0.00 51.96 54.27 2k3f s ALA 15 Cb -0.61 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 18.79 2k3f s ALA 15 CO 0.46 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.54 2k3f n GLY 16 N 4.08 0.93 2.62 0.00 0.00 -1.25 -0.77 105.19 110.80 2k3f n GLY 16 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.12 0.28 -0.27 1.61 2.47 0.45 -4.98 119.74 119.18 2k3f s LYS 17 Ca 0.00 -0.47 -0.22 0.00 -1.56 0.00 0.00 55.97 53.72 2k3f s LYS 17 Cb 0.00 -0.98 0.07 0.00 -1.46 0.00 0.00 37.83 35.47 2k3f s LYS 17 CO 0.00 -1.04 0.72 0.00 0.16 0.00 0.00 175.35 175.18 2k3f s ALA 18 N 2.09 -1.82 0.00 3.13 0.00 -1.26 -3.57 121.76 120.34 2k3f s ALA 18 Ca 0.10 2.15 0.00 0.00 0.00 0.00 0.00 51.96 54.21 2k3f s ALA 18 Cb -0.16 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.70 2k3f s ALA 18 CO -0.32 -0.35 0.00 -2.37 0.00 0.00 0.00 175.76 172.72 2k3f n THR 19 N 3.19 0.00 -3.68 0.00 5.66 -1.26 -4.76 114.28 113.42 2k3f n THR 19 Ca -0.16 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.49 2k3f n THR 19 Cb 0.56 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.26 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 4.20 0.00 1.09 0.04 -1.26 -4.38 135.00 132.69 2k3f s PRO 20 Ca 0.00 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 60.89 2k3f s PRO 20 Cb 0.00 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2k3f s PRO 20 CO 0.00 0.27 0.00 0.00 0.04 0.00 0.00 177.00 177.31 2k3f n ALA 21 N 3.59 0.00 -0.21 8.56 0.00 -1.26 -3.53 120.51 127.66 2k3f n ALA 21 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.28 2k3f n ALA 21 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.14 -0.07 0.00 -0.02 -1.26 0.96 135.00 134.47 2k3f n PRO 22 Ca 0.00 0.81 -0.07 0.00 -2.02 0.00 0.00 63.50 62.22 2k3f n PRO 22 Cb 0.00 -1.20 -0.05 0.00 -0.02 0.00 0.00 33.50 32.24 2k3f n PRO 22 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2k3f h PRO 23 N 0.00 0.00 0.00 0.52 0.11 -1.97 -3.45 132.00 127.21 2k3f h PRO 23 Ca 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 2k3f h PRO 23 Cb 0.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 2k3f h PRO 23 CO -0.52 0.35 -0.04 0.28 -0.21 0.00 0.00 178.00 177.86 2k3f h VAL 24 N -1.00 1.10 0.00 3.15 2.07 -0.86 -3.27 116.25 117.44 2k3f h VAL 24 Ca -0.05 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.63 2k3f h VAL 24 Cb 0.52 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2k3f h VAL 24 CO -0.03 0.37 0.00 0.61 0.02 0.00 0.00 177.57 178.54 2k3f n GLY 25 N 1.67 -3.01 0.32 2.17 0.00 0.27 -1.66 105.19 104.96 2k3f n GLY 25 Ca -0.07 0.32 0.18 0.00 0.00 0.00 0.00 46.02 46.45 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 0.11 0.00 1.61 0.11 -1.80 0.22 132.00 132.25 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 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.08 2k3f h PRO 26 CO 0.00 0.07 0.00 0.00 -0.21 0.00 0.00 178.00 177.86 2k3f n ALA 27 N -2.73 0.00 0.06 -0.75 0.00 -0.78 -2.82 120.51 113.50 2k3f n ALA 27 Ca 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.61 2k3f n ALA 27 Cb 0.84 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.34 2k3f n ALA 27 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2k3f h LEU 28 N 0.00 0.42 -0.57 0.00 -0.00 -1.39 -3.30 115.31 110.48 2k3f h LEU 28 Ca 0.00 -0.27 -0.12 0.00 -0.00 0.00 0.00 57.88 57.49 2k3f h LEU 28 Cb 0.00 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 40.52 2k3f h LEU 28 CO 0.00 0.99 -0.15 1.23 -0.00 0.00 0.00 178.44 180.51 2k3f h GLY 29 N 1.37 1.07 1.65 0.17 0.00 -1.08 -0.50 103.07 105.74 2k3f h GLY 29 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 47.33 46.42 2k3f h GLY 29 CO 0.12 0.81 0.00 -1.06 0.00 0.00 0.00 176.54 176.41 2k3f n GLN 30 N -4.13 0.15 -0.93 4.80 6.02 -0.88 0.34 117.38 122.76 2k3f n GLN 30 Ca 0.01 0.19 -0.01 0.00 -0.01 0.00 0.00 57.00 57.18 2k3f n GLN 30 Cb 0.42 -1.50 0.32 0.00 1.02 0.00 0.00 30.24 30.51 2k3f n GLN 30 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2k3f n HIS 31 N -1.32 2.15 -0.24 1.08 8.25 -0.24 -4.91 115.22 119.99 2k3f n HIS 31 Ca 0.05 -1.07 0.00 0.00 -0.26 0.00 0.00 57.72 56.44 2k3f n HIS 31 Cb 0.11 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 30.62 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 -0.05 0.86 3.83 -1.41 0.00 0.15 -4.84 105.19 103.74 2k3f n GLY 32 Ca 0.35 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 2k3f n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k3f s VAL 33 N -2.63 4.53 -0.65 1.61 1.01 -0.96 -4.89 120.40 118.42 2k3f s VAL 33 Ca 0.00 1.22 -0.26 0.00 0.00 0.00 0.00 61.98 62.94 2k3f s VAL 33 Cb 0.00 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 2k3f s VAL 33 CO 0.00 -0.24 1.78 0.21 0.00 0.00 0.00 175.10 176.85 2k3f s ASN 34 N -2.21 5.40 0.37 3.32 3.04 -1.26 -3.96 114.94 119.64 2k3f s ASN 34 Ca 0.58 0.14 0.13 0.00 0.04 0.00 0.00 52.86 53.74 2k3f s ASN 34 Cb -0.10 -2.54 0.94 0.00 -1.54 0.00 0.00 41.25 38.01 2k3f s ASN 34 CO 0.16 -2.31 1.82 0.40 -3.04 0.00 0.00 177.10 174.12 2k3f h ILE 35 N 6.78 0.68 0.02 -5.21 1.08 -1.93 0.21 117.51 119.14 2k3f h ILE 35 Ca -0.24 -0.19 -0.00 0.00 -0.39 0.00 0.00 64.86 64.04 2k3f h ILE 35 Cb 1.14 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.95 2k3f h ILE 35 CO 1.23 0.10 -0.01 0.24 -0.69 0.00 0.00 178.15 179.02 2k3f h MET 36 N 0.56 -0.03 -0.92 2.37 2.86 -1.89 0.54 114.93 118.43 2k3f h MET 36 Ca 0.53 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 58.25 2k3f h MET 36 Cb 1.08 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.68 2k3f h MET 36 CO -0.27 0.26 0.57 1.49 1.06 0.00 0.00 176.91 180.02 2k3f h GLU 37 N -0.32 0.95 0.54 1.72 4.57 -1.69 0.67 114.58 121.02 2k3f h GLU 37 Ca -0.00 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 2k3f h GLU 37 Cb 0.30 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 2k3f h GLU 37 CO 0.01 0.63 -0.45 0.35 -1.18 0.00 0.00 179.01 178.36 2k3f h PHE 38 N 0.98 -1.23 0.03 0.92 3.57 -0.38 -2.66 116.94 118.16 2k3f h PHE 38 Ca 0.42 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.92 2k3f h PHE 38 Cb 0.29 0.47 0.00 0.00 2.79 0.00 0.00 35.95 39.50 2k3f h PHE 38 CO -0.03 -0.63 -0.01 0.00 -2.23 0.00 0.00 178.31 175.41 2k3f h LYS 40 N -0.17 0.00 0.12 0.00 3.11 0.23 0.41 116.57 120.27 2k3f h LYS 40 Ca -0.00 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 2k3f h LYS 40 Cb 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 2k3f h LYS 40 CO 0.01 0.04 -0.06 0.00 -2.81 0.00 0.00 179.45 176.63 2k3f h ARG 41 N 0.00 -0.15 -0.47 1.90 3.08 -1.03 -3.19 114.38 114.52 2k3f h ARG 41 Ca -0.00 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.15 2k3f h ARG 41 Cb 0.18 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.18 2k3f h ARG 41 CO 0.01 -0.10 -0.09 0.35 -1.07 0.00 0.00 179.97 179.06 2k3f h PHE 42 N -0.56 -0.20 -0.01 3.04 3.57 0.77 0.30 116.94 123.84 2k3f h PHE 42 Ca -0.02 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2k3f h PHE 42 Cb 0.12 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 2k3f h PHE 42 CO 0.02 -0.18 0.01 -0.91 -2.23 0.00 0.00 178.31 175.02 2k3f h ASN 43 N 0.02 0.01 -0.80 0.41 2.35 -1.16 0.30 115.58 116.71 2k3f h ASN 43 Ca 0.23 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.93 2k3f h ASN 43 Cb 0.35 -0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.68 2k3f h ASN 43 CO -0.46 0.02 0.33 0.00 -1.65 0.00 0.00 177.43 175.66 2k3f h ALA 44 N 1.00 1.07 -0.47 -0.83 0.00 -1.16 -1.31 119.26 117.56 2k3f h ALA 44 Ca 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 2k3f h ALA 44 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2k3f h ALA 44 CO -0.00 0.66 -0.06 0.93 0.00 0.00 0.00 179.25 180.78 2k3f h GLU 45 N 1.16 0.87 -0.08 0.00 4.39 0.04 -3.13 114.58 117.84 2k3f h GLU 45 Ca 0.27 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2k3f h GLU 45 Cb 0.20 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2k3f h GLU 45 CO -0.02 0.95 0.00 0.25 -1.16 0.00 0.00 179.01 179.02 2k3f n THR 46 N -4.29 0.08 -0.37 1.13 -2.24 1.00 -4.36 114.28 105.23 2k3f n THR 46 Ca 0.00 -0.31 0.28 0.00 -2.27 0.00 0.00 64.05 61.75 2k3f n THR 46 Cb 0.35 0.54 0.55 0.00 -2.10 0.00 0.00 70.33 69.67 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 4.29 2.33 0.00 6.98 0.00 -1.18 0.63 119.26 132.31 2k3f h ALA 47 Ca 0.00 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2k3f h ALA 47 Cb 0.55 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2k3f h ALA 47 CO 0.00 -0.87 -0.68 0.38 0.00 0.00 0.00 179.25 178.08 2k3f h ASP 48 N 0.27 0.00 -0.46 0.00 3.04 -1.85 -3.16 116.42 114.26 2k3f h ASP 48 Ca 0.71 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.50 2k3f h ASP 48 Cb 1.92 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.21 2k3f h ASP 48 CO -0.42 0.50 0.00 0.29 -2.04 0.00 0.00 179.24 177.56 2k3f n LYS 49 N -3.15 4.00 -1.53 4.15 5.02 0.12 -5.01 118.16 121.76 2k3f n LYS 49 Ca -0.00 -2.99 -0.43 0.00 -2.02 0.00 0.00 58.31 52.88 2k3f n LYS 49 Cb 0.75 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 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 0.26 -0.79 -0.27 7.82 0.00 -0.62 -3.38 120.51 123.54 2k3f n ALA 50 Ca 0.25 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2k3f n ALA 50 Cb 1.03 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 1.49 0.91 2.79 0.00 0.00 0.05 -4.95 105.19 105.48 2k3f n GLY 51 Ca 0.11 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.61 0.18 -0.81 1.61 1.00 -1.22 -4.92 119.30 114.54 2k3f s MET 52 Ca 0.00 0.13 -0.25 0.00 0.00 0.00 0.00 55.69 55.57 2k3f s MET 52 Cb 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 34.83 34.36 2k3f s MET 52 CO 0.00 -0.16 1.91 0.42 0.00 0.00 0.00 175.02 177.18 2k3f s ILE 53 N 1.15 3.43 -0.00 2.53 -1.09 -1.26 0.15 121.20 126.10 2k3f s ILE 53 Ca -0.08 -0.19 -0.30 0.00 -2.23 0.00 0.00 60.65 57.85 2k3f s ILE 53 Cb -0.13 -4.01 -0.03 0.00 -1.58 0.00 0.00 42.46 36.71 2k3f s ILE 53 CO -0.02 -0.96 0.96 -0.76 -1.23 0.00 0.00 174.94 172.93 2k3f s LEU 54 N 9.66 4.37 -0.52 2.97 1.43 0.25 -4.70 118.68 132.13 2k3f s LEU 54 Ca 0.69 1.63 -0.27 0.00 -1.03 0.00 0.00 54.13 55.14 2k3f s LEU 54 Cb -0.08 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 2k3f s LEU 54 CO 0.06 -0.25 1.81 -2.84 0.23 0.00 0.00 176.35 175.36 2k3f s PRO 55 N 0.99 2.89 0.25 1.29 0.02 -1.26 -0.60 135.00 138.58 2k3f s PRO 55 Ca 0.51 0.86 0.06 0.00 0.02 0.00 0.00 61.00 62.45 2k3f s PRO 55 Cb -0.21 -4.31 -0.03 0.00 0.02 0.00 0.00 34.50 29.97 2k3f s PRO 55 CO 0.27 -2.41 0.31 0.54 -0.33 0.00 0.00 177.00 175.39 2k3f s VAL 56 N 8.21 4.93 -0.06 3.83 0.11 0.55 -0.30 120.40 137.66 2k3f s VAL 56 Ca 0.70 -1.12 -0.02 0.00 -2.93 0.00 0.00 61.98 58.61 2k3f s VAL 56 Cb -0.15 -3.69 0.03 0.00 -1.53 0.00 0.00 36.38 31.04 2k3f s VAL 56 CO 0.25 -0.33 0.02 -0.69 -3.33 0.00 0.00 175.10 171.03 2k3f s VAL 57 N -2.04 0.21 -0.08 2.04 1.01 -0.44 -2.79 120.40 118.30 2k3f s VAL 57 Ca 0.34 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2k3f s VAL 57 Cb -0.09 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 2k3f s VAL 57 CO 0.28 0.23 -0.07 -0.63 0.00 0.00 0.00 175.10 174.91 2k3f s ILE 58 N 2.04 3.66 -0.39 2.22 1.01 -0.56 0.15 121.20 129.34 2k3f s ILE 58 Ca 0.05 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.24 2k3f s ILE 58 Cb -0.12 -2.51 0.11 0.00 0.01 0.00 0.00 42.46 39.95 2k3f s ILE 58 CO -0.04 0.58 0.13 -0.89 0.00 0.00 0.00 174.94 174.72 2k3f s THR 59 N -0.60 1.97 0.06 2.92 2.01 0.06 0.40 115.64 122.47 2k3f s THR 59 Ca 0.09 -2.41 -0.20 0.00 0.31 0.00 0.00 61.69 59.49 2k3f s THR 59 Cb -0.12 -2.43 -0.06 0.00 0.01 0.00 0.00 72.50 69.90 2k3f s THR 59 CO 0.02 -0.69 0.58 0.54 -0.69 0.00 0.00 174.62 174.37 2k3f s VAL 60 N 0.71 4.76 0.46 3.82 0.11 0.65 -2.58 120.40 128.32 2k3f s VAL 60 Ca 0.13 1.24 0.04 0.00 -2.93 0.00 0.00 61.98 60.45 2k3f s VAL 60 Cb -0.21 -3.91 0.01 0.00 -1.53 0.00 0.00 36.38 30.74 2k3f s VAL 60 CO -0.09 0.53 0.65 -0.31 -3.33 0.00 0.00 175.10 172.55 2k3f s TYR 61 N -0.94 2.98 0.62 1.54 2.02 0.43 0.14 117.35 124.14 2k3f s TYR 61 Ca 0.30 -0.09 0.32 0.00 -0.37 0.00 0.00 57.07 57.23 2k3f s TYR 61 Cb -0.19 -2.43 1.80 0.00 -0.40 0.00 0.00 41.96 40.73 2k3f s TYR 61 CO 0.19 -0.49 2.12 0.93 -1.57 0.00 0.00 175.55 176.72 2k3f h GLU 62 N 0.43 0.00 -0.00 -0.62 5.08 0.33 0.39 114.58 120.19 2k3f h GLU 62 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2k3f h GLU 62 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2k3f h GLU 62 CO 0.52 0.00 -0.00 -0.25 -1.00 0.00 0.00 179.01 178.27 2k3f n ASP 63 N -3.50 0.01 0.00 1.42 9.92 -1.26 -4.85 116.55 118.29 2k3f n ASP 63 Ca 0.00 0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 2k3f n ASP 63 Cb 0.29 -0.36 0.00 0.00 -0.64 0.00 0.00 41.12 40.41 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 -1.37 -0.00 -1.38 -1.24 4.01 0.13 -5.03 118.16 113.28 2k3f n LYS 64 Ca 0.11 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.62 2k3f n LYS 64 Cb 0.28 -2.67 0.19 0.00 -0.51 0.00 0.00 35.03 32.32 2k3f n LYS 64 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2k3f s SER 65 N -2.66 2.40 0.12 4.39 0.01 -1.25 -4.37 113.70 112.33 2k3f s SER 65 Ca 0.00 0.77 -0.15 0.00 1.31 0.00 0.00 55.95 57.89 2k3f s SER 65 Cb 0.00 -1.17 0.05 0.00 0.21 0.00 0.00 66.02 65.11 2k3f s SER 65 CO 0.00 -3.22 0.71 2.22 0.41 0.00 0.00 173.24 173.36 2k3f n PHE 66 N -4.18 -1.08 -3.81 2.43 -1.74 -1.26 -0.43 117.46 107.38 2k3f n PHE 66 Ca 0.10 -0.86 -0.08 0.00 -0.56 0.00 0.00 57.45 56.06 2k3f n PHE 66 Cb 0.59 0.42 -0.02 0.00 1.52 0.00 0.00 39.48 41.99 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 -2.22 0.00 -0.04 1.97 -4.23 -1.06 -4.95 115.64 105.11 2k3f s THR 67 Ca 0.16 -0.90 -0.29 0.00 -1.18 0.00 0.00 61.69 59.48 2k3f s THR 67 Cb -0.02 -1.89 0.09 0.00 1.34 0.00 0.00 72.50 72.02 2k3f s THR 67 CO 0.04 -0.00 0.78 0.72 -0.54 0.00 0.00 174.62 175.61 2k3f s PHE 68 N -3.90 -0.52 0.40 3.99 -0.71 -1.26 -0.76 117.98 115.21 2k3f s PHE 68 Ca 0.10 0.75 0.08 0.00 -1.04 0.00 0.00 56.93 56.82 2k3f s PHE 68 Cb -0.05 0.46 -0.06 0.00 -1.21 0.00 0.00 43.02 42.16 2k3f s PHE 68 CO 0.05 -0.57 0.08 0.42 -1.34 0.00 0.00 175.22 173.86 2k3f s ILE 69 N -1.83 2.27 -0.13 -4.49 1.01 0.12 -4.94 121.20 113.21 2k3f s ILE 69 Ca -0.05 -1.86 -0.03 0.00 0.00 0.00 0.00 60.65 58.71 2k3f s ILE 69 Cb -0.00 -2.95 0.05 0.00 0.01 0.00 0.00 42.46 39.56 2k3f s ILE 69 CO 0.02 -0.04 0.05 -0.63 0.00 0.00 0.00 174.94 174.34 2k3f s ILE 70 N -2.62 0.15 -0.65 2.92 1.01 -1.26 -1.32 121.20 119.43 2k3f s ILE 70 Ca 0.38 -0.10 -0.27 0.00 0.00 0.00 0.00 60.65 60.65 2k3f s ILE 70 Cb 0.05 -0.60 0.02 0.00 0.01 0.00 0.00 42.46 41.93 2k3f s ILE 70 CO 0.20 -0.07 1.40 -0.54 0.00 0.00 0.00 174.94 175.93 2k3f s LYS 71 N 2.04 3.17 -0.77 2.79 3.01 0.59 -4.90 119.74 125.66 2k3f s LYS 71 Ca 0.02 0.15 -0.25 0.00 -1.01 0.00 0.00 55.97 54.88 2k3f s LYS 71 Cb -0.15 -4.18 -0.15 0.00 -1.01 0.00 0.00 37.83 32.34 2k3f s LYS 71 CO -0.07 -2.13 2.40 0.25 0.51 0.00 0.00 175.35 176.31 2k3f n THR 72 N 6.68 -0.01 -2.03 2.17 -2.24 -1.26 -4.44 114.28 113.14 2k3f n THR 72 Ca 0.09 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2k3f n THR 72 Cb 0.50 -1.93 0.00 0.00 -2.10 0.00 0.00 70.33 66.80 2k3f n THR 72 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2k3f n PRO 73 N 8.59 1.25 -0.74 -0.78 -0.04 -1.26 -4.69 135.00 137.33 2k3f n PRO 73 Ca 0.48 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.66 2k3f n PRO 73 Cb 0.42 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.85 2k3f n PRO 73 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2k3f n PRO 74 N -0.66 0.00 0.00 0.54 -0.02 -1.26 -4.70 135.00 128.89 2k3f n PRO 74 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2k3f n PRO 74 Cb 0.00 -0.66 0.02 0.00 -0.02 0.00 0.00 33.50 32.84 2k3f n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k3f n ALA 75 N 0.48 1.09 -0.17 3.55 0.00 -1.26 -1.65 120.51 122.54 2k3f n ALA 75 Ca 0.10 -0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.82 2k3f n ALA 75 Cb 0.07 -1.01 0.72 0.00 0.00 0.00 0.00 19.45 19.23 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 0.00 0.25 0.00 0.02 -1.96 0.35 113.55 112.21 2k3f h SER 76 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2k3f h SER 76 Cb 0.01 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2k3f h SER 76 CO 0.00 0.00 -0.20 0.15 -1.14 0.00 0.00 176.83 175.64 2k3f h PHE 77 N 0.00 -0.55 0.00 3.45 3.04 -1.61 -0.30 116.94 120.97 2k3f h PHE 77 Ca 0.42 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.38 2k3f h PHE 77 Cb 1.78 0.21 0.00 0.00 2.56 0.00 0.00 35.95 40.50 2k3f h PHE 77 CO 0.00 -0.28 -0.15 1.28 -2.02 0.00 0.00 178.31 177.14 2k3f n LEU 78 N -3.55 0.63 0.21 0.59 7.99 -0.70 -1.75 117.00 120.43 2k3f n LEU 78 Ca -0.05 0.46 0.09 0.00 -0.01 0.00 0.00 56.01 56.50 2k3f n LEU 78 Cb 0.19 -0.32 0.40 0.00 -0.11 0.00 0.00 43.42 43.58 2k3f n LEU 78 CO 0.12 -0.11 0.77 -0.07 -1.51 0.00 0.00 177.39 176.59 2k3f h LEU 79 N 0.00 0.00 -0.83 2.23 -0.00 -0.30 -0.42 115.31 116.00 2k3f h LEU 79 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 2k3f h LEU 79 Cb 0.68 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.30 2k3f h LEU 79 CO 0.00 0.24 0.43 0.11 -0.00 0.00 0.00 178.44 179.22 2k3f h LYS 80 N 0.00 1.16 -0.14 1.13 1.79 -0.19 0.53 116.57 120.85 2k3f h LYS 80 Ca -0.00 -0.15 -0.01 0.00 -2.18 0.00 0.00 60.65 58.31 2k3f h LYS 80 Cb 0.83 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 2k3f h LYS 80 CO 0.03 0.87 0.06 0.87 -1.08 0.00 0.00 179.45 180.20 2k3f h LYS 81 N 1.16 0.21 0.29 3.15 1.79 -1.28 -3.37 116.57 118.52 2k3f h LYS 81 Ca 0.29 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.71 2k3f h LYS 81 Cb 0.06 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 2k3f h LYS 81 CO -0.04 0.29 -0.14 0.00 -1.08 0.00 0.00 179.45 178.48 2k3f h ALA 82 N 0.91 -0.49 -2.46 3.86 0.00 -1.00 -3.46 119.26 116.62 2k3f h ALA 82 Ca 0.05 -0.09 -0.48 0.00 0.00 0.00 0.00 54.91 54.40 2k3f h ALA 82 Cb 0.15 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.10 2k3f h ALA 82 CO -0.00 -0.47 0.39 0.00 0.00 0.00 0.00 179.25 179.17 2k3f s ALA 83 N -3.65 3.11 -2.48 0.00 0.00 0.18 -4.79 121.76 114.13 2k3f s ALA 83 Ca -0.06 0.64 0.24 0.00 0.00 0.00 0.00 51.96 52.79 2k3f s ALA 83 Cb 0.01 -3.24 0.75 0.00 0.00 0.00 0.00 23.12 20.63 2k3f s ALA 83 CO 0.17 -0.10 1.56 0.41 0.00 0.00 0.00 175.76 177.80 2k3f n GLY 84 N 0.30 0.45 3.56 0.00 0.00 -1.26 -4.46 105.19 103.78 2k3f n GLY 84 Ca 0.04 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.86 3.34 -0.60 -0.61 -4.36 -1.26 -4.93 121.20 110.91 2k3f s ILE 85 Ca 0.35 0.23 -0.27 0.00 -0.26 0.00 0.00 60.65 60.70 2k3f s ILE 85 Cb 0.20 -3.78 -0.01 0.00 1.25 0.00 0.00 42.46 40.12 2k3f s ILE 85 CO 0.30 -0.72 1.71 -0.70 0.24 0.00 0.00 174.94 175.77 2k3f s GLU 86 N 6.95 2.87 0.00 0.37 2.56 -1.26 -3.66 118.70 126.52 2k3f s GLU 86 Ca 0.73 0.54 0.00 0.00 0.00 0.00 0.00 54.97 56.24 2k3f s GLU 86 Cb -0.15 -4.30 0.00 0.00 2.00 0.00 0.00 34.13 31.68 2k3f s GLU 86 CO 0.23 -2.46 0.00 1.63 -0.56 0.00 0.00 175.26 174.11 2k3f n LYS 87 N 9.07 0.00 0.00 4.30 5.02 -1.26 -4.98 118.16 130.31 2k3f n LYS 87 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 2k3f n LYS 87 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 2k3f n LYS 87 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k3f n GLY 88 N 0.00 1.45 3.06 0.72 0.00 -1.24 -4.65 105.19 104.52 2k3f n GLY 88 Ca 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 46.02 45.38 2k3f n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k3f s SER 89 N -4.00 -1.13 -0.05 1.61 1.04 -1.26 -5.03 113.70 104.88 2k3f s SER 89 Ca 0.00 -0.58 -0.23 0.00 0.48 0.00 0.00 55.95 55.62 2k3f s SER 89 Cb 0.00 1.44 -0.25 0.00 0.10 0.00 0.00 66.02 67.31 2k3f s SER 89 CO 0.00 -0.12 0.98 0.77 0.98 0.00 0.00 173.24 175.85 2k3f h SER 90 N 6.45 0.32 0.50 7.02 4.64 -1.83 -3.40 113.55 127.26 2k3f h SER 90 Ca 0.02 -0.84 -0.02 0.00 -0.47 0.00 0.00 61.79 60.48 2k3f h SER 90 Cb 1.20 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2k3f h SER 90 CO 0.04 1.12 -0.24 -0.33 -0.87 0.00 0.00 176.83 176.55 2k3f h GLU 91 N -0.44 -0.65 -6.46 4.77 4.39 -1.94 -3.42 114.58 110.82 2k3f h GLU 91 Ca -0.06 0.04 -0.52 0.00 0.34 0.00 0.00 59.36 59.17 2k3f h GLU 91 Cb 1.21 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 30.00 2k3f h GLU 91 CO 0.08 -0.43 -0.17 -1.25 -1.16 0.00 0.00 179.01 176.08 2k3f s PRO 92 N -3.83 3.61 -0.29 2.33 0.04 -1.26 -5.10 135.00 130.50 2k3f s PRO 92 Ca -0.10 -0.05 -0.15 0.00 0.04 0.00 0.00 61.00 60.74 2k3f s PRO 92 Cb 0.01 -2.67 0.12 0.00 0.04 0.00 0.00 34.50 32.00 2k3f s PRO 92 CO 0.30 0.23 0.84 -1.59 0.04 0.00 0.00 177.00 176.82 2k3f s LYS 93 N -3.55 0.51 0.00 4.56 -2.85 -1.26 -4.73 119.74 112.41 2k3f s LYS 93 Ca 0.43 0.95 0.00 0.00 -1.00 0.00 0.00 55.97 56.35 2k3f s LYS 93 Cb -0.11 0.21 0.00 0.00 -2.06 0.00 0.00 37.83 35.88 2k3f s LYS 93 CO 0.30 -0.12 0.00 -2.13 0.10 0.00 0.00 175.35 173.50 2k3f n ARG 94 N 4.22 0.00 0.07 1.78 3.00 -1.26 -4.86 116.66 119.62 2k3f n ARG 94 Ca -0.18 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.62 2k3f n ARG 94 Cb 0.57 0.00 0.12 0.00 0.00 0.00 0.00 32.46 33.14 2k3f n ARG 94 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2k3f h LYS 95 N 0.00 0.29 -1.55 -0.14 1.57 -2.00 -3.49 116.57 111.24 2k3f h LYS 95 Ca 0.00 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2k3f h LYS 95 Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2k3f h LYS 95 CO 0.00 0.79 -0.39 -0.89 -0.57 0.00 0.00 179.45 178.39 2k3f n ILE 96 N -3.89 -2.27 -2.74 1.86 5.41 -1.26 -5.04 119.36 111.43 2k3f n ILE 96 Ca -0.02 0.87 -0.21 0.00 1.00 0.00 0.00 62.75 64.39 2k3f n ILE 96 Cb 0.61 -1.26 0.04 0.00 -0.71 0.00 0.00 39.64 38.32 2k3f n ILE 96 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2k3f s VAL 97 N -3.28 2.60 1.39 1.39 1.01 -0.15 -5.05 120.40 118.30 2k3f s VAL 97 Ca 0.00 -0.75 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 2k3f s VAL 97 Cb 0.00 -2.86 0.34 0.00 0.00 0.00 0.00 36.38 33.87 2k3f s VAL 97 CO 0.00 0.00 0.79 0.61 0.00 0.00 0.00 175.10 176.50 2k3f n GLY 98 N -2.31 -3.61 3.67 4.51 0.00 -1.26 -4.32 105.19 101.86 2k3f n GLY 98 Ca 0.10 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 2k3f n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k3f s LYS 99 N -4.76 1.75 0.00 1.61 -2.85 -1.26 -3.07 119.74 111.16 2k3f s LYS 99 Ca 0.61 -1.29 0.00 0.00 -1.00 0.00 0.00 55.97 54.29 2k3f s LYS 99 Cb -0.11 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.18 2k3f s LYS 99 CO 0.52 -0.76 0.00 1.33 0.10 0.00 0.00 175.35 176.54 2k3f n VAL 100 N -0.44 0.00 -3.63 1.79 0.24 -0.54 -4.57 118.33 111.17 2k3f n VAL 100 Ca -0.03 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.15 2k3f n VAL 100 Cb 0.61 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.91 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 -0.65 0.00 0.26 3.34 -1.32 -1.26 0.10 115.64 116.12 2k3f s THR 101 Ca 0.00 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 60.41 2k3f s THR 101 Cb 0.00 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.35 2k3f s THR 101 CO 0.00 0.00 1.59 -0.09 -2.21 0.00 0.00 174.62 173.91 2k3f h ARG 102 N 4.85 0.03 -0.50 7.08 1.12 -1.84 0.98 114.38 126.10 2k3f h ARG 102 Ca -0.29 -0.00 0.05 0.00 -1.11 0.00 0.00 59.98 58.63 2k3f h ARG 102 Cb 1.17 -0.01 -0.05 0.00 -0.01 0.00 0.00 29.97 31.07 2k3f h ARG 102 CO 0.07 0.02 0.23 -0.22 -3.11 0.00 0.00 179.97 176.95 2k3f h LYS 103 N 0.03 0.43 -0.38 0.20 1.63 -1.97 0.19 116.57 116.71 2k3f h LYS 103 Ca 0.46 -0.03 -0.11 0.00 -0.85 0.00 0.00 60.65 60.12 2k3f h LYS 103 Cb 0.79 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.31 2k3f h LYS 103 CO -0.84 0.29 -0.23 -0.56 -3.45 0.00 0.00 179.45 174.66 2k3f h GLN 104 N 0.45 0.75 -0.60 1.90 -0.00 -1.29 -1.06 115.11 115.26 2k3f h GLN 104 Ca 0.23 -0.30 0.12 0.00 -0.00 0.00 0.00 58.65 58.69 2k3f h GLN 104 Cb 0.17 -0.04 -0.12 0.00 -0.00 0.00 0.00 27.48 27.50 2k3f h GLN 104 CO -0.18 0.91 -0.20 0.82 -0.00 0.00 0.00 178.83 180.17 2k3f h ILE 105 N 0.65 0.33 -0.09 1.86 1.08 -0.55 -1.52 117.51 119.27 2k3f h ILE 105 Ca 0.09 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.60 2k3f h ILE 105 Cb 0.73 0.33 -0.06 0.00 -3.07 0.00 0.00 36.82 34.74 2k3f h ILE 105 CO 0.06 0.00 -0.43 -0.08 -0.69 0.00 0.00 178.15 177.01 2k3f h GLU 106 N -0.05 -0.50 -0.67 2.37 4.81 0.27 0.55 114.58 121.37 2k3f h GLU 106 Ca 0.28 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.57 2k3f h GLU 106 Cb 0.48 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 2k3f h GLU 106 CO -0.64 -0.33 0.42 1.05 -0.73 0.00 0.00 179.01 178.78 2k3f h GLU 107 N -0.52 0.82 0.10 1.92 4.11 -1.06 0.26 114.58 120.20 2k3f h GLU 107 Ca 0.06 -0.05 0.02 0.00 0.07 0.00 0.00 59.36 59.46 2k3f h GLU 107 Cb 0.64 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 2k3f h GLU 107 CO -0.38 0.54 -0.47 0.82 0.07 0.00 0.00 179.01 179.59 2k3f h ILE 108 N 0.84 0.08 -1.26 -1.06 2.04 -0.99 -0.80 117.51 116.36 2k3f h ILE 108 Ca 0.26 0.00 0.38 0.00 1.00 0.00 0.00 64.86 66.50 2k3f h ILE 108 Cb -0.02 0.08 -0.11 0.00 -0.74 0.00 0.00 36.82 36.04 2k3f h ILE 108 CO -0.09 0.00 0.83 0.00 0.00 0.00 0.00 178.15 178.89 2k3f h ALA 109 N -0.31 2.69 0.10 1.87 0.00 0.15 -1.16 119.26 122.60 2k3f h ALA 109 Ca 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2k3f h ALA 109 Cb 0.72 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2k3f h ALA 109 CO -0.28 -1.22 -0.05 0.87 0.00 0.00 0.00 179.25 178.57 2k3f h LYS 110 N 0.16 -0.13 0.00 0.00 1.57 0.02 -2.45 116.57 115.74 2k3f h LYS 110 Ca 0.73 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.52 2k3f h LYS 110 Cb 2.29 0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.63 2k3f h LYS 110 CO -0.31 0.37 0.01 -2.37 -0.57 0.00 0.00 179.45 176.58 2k3f n THR 111 N -4.85 1.70 -0.88 -0.16 5.66 -0.36 -0.75 114.28 114.63 2k3f n THR 111 Ca -0.08 0.44 0.02 0.00 -3.05 0.00 0.00 64.05 61.38 2k3f n THR 111 Cb 0.28 -1.44 0.03 0.00 -1.55 0.00 0.00 70.33 67.65 2k3f n THR 111 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2k3f n LYS 112 N -1.42 1.19 -0.21 1.09 2.85 -1.00 -4.83 118.16 115.83 2k3f n LYS 112 Ca 0.00 -1.30 0.02 0.00 -1.05 0.00 0.00 58.31 55.98 2k3f n LYS 112 Cb 0.01 -0.85 0.12 0.00 -0.65 0.00 0.00 35.03 33.67 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 0.00 0.22 0.00 -1.58 4.05 -0.43 -0.82 114.93 116.37 2k3f h MET 113 Ca 0.00 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 2k3f h MET 113 Cb 0.92 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.66 2k3f h MET 113 CO 0.00 0.14 -0.10 -1.00 0.23 0.00 0.00 176.91 176.18 2k3f h PRO 114 N 0.23 0.00 0.00 0.39 0.13 -1.88 -3.29 132.00 127.58 2k3f h PRO 114 Ca 0.34 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.38 2k3f h PRO 114 Cb 0.53 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 2k3f h PRO 114 CO -0.46 0.10 -0.70 0.22 -0.23 0.00 0.00 178.00 176.94 2k3f h ASP 115 N 0.00 0.00 -3.37 1.44 1.82 -1.69 -3.49 116.42 111.13 2k3f h ASP 115 Ca -0.00 -0.29 -0.40 0.00 -0.39 0.00 0.00 57.03 55.94 2k3f h ASP 115 Cb 0.54 0.00 0.20 0.00 0.68 0.00 0.00 39.33 40.75 2k3f h ASP 115 CO 0.01 1.04 0.07 -0.76 -1.61 0.00 0.00 179.24 177.99 2k3f s LEU 116 N -8.12 0.22 -0.59 2.28 1.02 -0.39 -4.93 118.68 108.18 2k3f s LEU 116 Ca -0.19 0.64 -0.02 0.00 0.02 0.00 0.00 54.13 54.58 2k3f s LEU 116 Cb 0.03 -2.27 0.35 0.00 0.02 0.00 0.00 46.19 44.32 2k3f s LEU 116 CO 0.38 -4.49 2.08 -0.46 0.02 0.00 0.00 176.35 173.89 2k3f n ASN 117 N -5.01 7.30 0.00 2.29 0.23 -1.26 -4.80 115.26 114.01 2k3f n ASN 117 Ca 0.14 -3.57 0.00 0.00 -0.53 0.00 0.00 54.58 50.61 2k3f n ASN 117 Cb 0.60 -1.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.27 2k3f n ASN 117 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k3f n ALA 118 N -0.43 0.00 0.00 -2.53 0.00 -1.26 -4.81 120.51 111.47 2k3f n ALA 118 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2k3f n ALA 118 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2k3f n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k3f n ASN 119 N 0.00 0.00 -4.81 0.00 5.03 -1.26 -4.65 115.26 109.57 2k3f n ASN 119 Ca 0.00 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.10 2k3f n ASN 119 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 38.69 2k3f n ASN 119 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2k3f s SER 120 N -3.21 7.12 0.31 6.41 0.01 -1.26 -4.96 113.70 118.12 2k3f s SER 120 Ca 0.00 1.67 -0.00 0.00 1.31 0.00 0.00 55.95 58.92 2k3f s SER 120 Cb 0.00 -2.52 0.51 0.00 0.21 0.00 0.00 66.02 64.22 2k3f s SER 120 CO 0.00 -0.15 1.97 0.25 0.41 0.00 0.00 173.24 175.72 2k3f h LEU 121 N 2.74 0.88 -1.34 2.44 5.85 -1.96 0.11 115.31 124.04 2k3f h LEU 121 Ca -0.48 -0.02 0.21 0.00 0.84 0.00 0.00 57.88 58.44 2k3f h LEU 121 Cb 1.19 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.92 2k3f h LEU 121 CO 0.64 0.63 0.62 -0.33 -0.34 0.00 0.00 178.44 179.66 2k3f h GLU 122 N 1.04 0.50 -0.13 1.25 3.07 -1.98 0.44 114.58 118.76 2k3f h GLU 122 Ca 0.29 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 59.08 2k3f h GLU 122 Cb -0.08 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 27.72 2k3f h GLU 122 CO -0.07 0.33 -0.10 0.00 -1.40 0.00 0.00 179.01 177.76 2k3f h ALA 123 N 1.62 0.18 -0.91 3.43 0.00 -1.34 -2.81 119.26 119.43 2k3f h ALA 123 Ca 0.53 -0.30 0.09 0.00 0.00 0.00 0.00 54.91 55.23 2k3f h ALA 123 Cb 1.16 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 2k3f h ALA 123 CO -0.26 0.02 0.55 0.00 0.00 0.00 0.00 179.25 179.57 2k3f h ALA 124 N 0.61 1.30 -0.62 0.00 0.00 0.28 -1.36 119.26 119.47 2k3f h ALA 124 Ca 0.02 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2k3f h ALA 124 Cb 0.61 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2k3f h ALA 124 CO 0.03 0.22 0.42 0.52 0.00 0.00 0.00 179.25 180.44 2k3f h MET 125 N 0.94 0.36 0.06 0.00 2.86 -0.09 -1.46 114.93 117.61 2k3f h MET 125 Ca 0.43 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 58.04 2k3f h MET 125 Cb 0.33 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.91 2k3f h MET 125 CO -0.23 0.24 -0.03 0.87 1.06 0.00 0.00 176.91 178.82 2k3f h LYS 126 N 0.37 -0.08 -0.04 1.72 1.57 -0.99 0.76 116.57 119.88 2k3f h LYS 126 Ca 0.29 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.10 2k3f h LYS 126 Cb 0.66 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 2k3f h LYS 126 CO -0.08 0.12 -0.33 0.82 -0.57 0.00 0.00 179.45 179.41 2k3f h ILE 127 N -0.28 0.00 -0.08 1.86 2.04 -1.16 0.32 117.51 120.21 2k3f h ILE 127 Ca -0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.89 2k3f h ILE 127 Cb 0.24 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.27 2k3f h ILE 127 CO 0.01 0.00 -0.32 0.40 0.00 0.00 0.00 178.15 178.25 2k3f h ILE 128 N -0.39 0.30 -0.68 -0.67 1.08 -1.37 0.62 117.51 116.41 2k3f h ILE 128 Ca 0.01 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.57 2k3f h ILE 128 Cb 0.43 0.30 -0.07 0.00 -3.07 0.00 0.00 36.82 34.41 2k3f h ILE 128 CO -0.24 0.00 0.32 -0.33 -0.69 0.00 0.00 178.15 177.21 2k3f h GLU 129 N -0.42 0.53 -0.16 2.37 5.08 -0.72 0.16 114.58 121.42 2k3f h GLU 129 Ca 0.08 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 2k3f h GLU 129 Cb 0.55 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 2k3f h GLU 129 CO -0.32 0.35 -0.15 0.78 -1.00 0.00 0.00 179.01 178.68 2k3f h GLY 130 N 0.55 0.41 0.02 -3.84 0.00 0.91 0.59 103.07 101.70 2k3f h GLY 130 Ca 0.34 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 47.28 2k3f h GLY 130 CO -0.28 0.38 -0.48 -0.84 0.00 0.00 0.00 176.54 175.32 2k3f h THR 131 N 0.02 0.07 -0.28 4.70 2.02 0.43 0.37 112.91 120.24 2k3f h THR 131 Ca 0.03 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.27 2k3f h THR 131 Cb 0.67 0.07 -0.08 0.00 -1.74 0.00 0.00 68.15 67.08 2k3f h THR 131 CO 0.04 0.00 -0.26 0.00 0.37 0.00 0.00 175.52 175.67 2k3f h ALA 132 N -0.18 -0.13 -0.67 6.16 0.00 -0.47 0.11 119.26 124.08 2k3f h ALA 132 Ca 0.04 0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.18 2k3f h ALA 132 Cb 0.68 0.55 -0.12 0.00 0.00 0.00 0.00 17.79 18.90 2k3f h ALA 132 CO -0.37 -0.68 -0.04 -0.22 0.00 0.00 0.00 179.25 177.94 2k3f h LYS 133 N -0.25 0.08 -0.46 0.00 3.64 0.58 0.17 116.57 120.33 2k3f h LYS 133 Ca 0.15 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 2k3f h LYS 133 Cb 0.48 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 2k3f h LYS 133 CO -0.42 0.05 0.09 1.03 -2.27 0.00 0.00 179.45 177.93 2k3f h SER 134 N 0.08 0.65 -0.17 4.20 0.87 0.63 -2.98 113.55 116.82 2k3f h SER 134 Ca 0.35 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2k3f h SER 134 Cb 0.58 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2k3f h SER 134 CO -0.61 0.66 0.00 0.23 -0.53 0.00 0.00 176.83 176.58 2k3f n MET 135 N -4.29 1.44 -0.92 2.24 2.81 0.38 -4.79 117.12 113.99 2k3f n MET 135 Ca 0.03 -0.64 0.00 0.00 -1.81 0.00 0.00 57.70 55.28 2k3f n MET 135 Cb 0.22 -1.17 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 2k3f n MET 135 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k3f n GLY 136 N 0.73 0.62 3.67 3.03 0.00 -0.91 -4.49 105.19 107.83 2k3f n GLY 136 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.33 5.20 0.38 -0.61 1.01 -0.02 -0.98 121.20 123.85 2k3f s ILE 137 Ca 0.00 0.67 -0.15 0.00 0.00 0.00 0.00 60.65 61.17 2k3f s ILE 137 Cb 0.00 -3.72 -0.08 0.00 0.01 0.00 0.00 42.46 38.67 2k3f s ILE 137 CO 0.00 0.25 0.80 -0.70 0.00 0.00 0.00 174.94 175.29 2k3f s GLU 138 N 1.35 3.97 -0.16 2.79 2.12 -1.17 -3.43 118.70 124.16 2k3f s GLU 138 Ca 0.18 0.71 -0.01 0.00 0.36 0.00 0.00 54.97 56.21 2k3f s GLU 138 Cb -0.15 -2.35 -0.01 0.00 0.26 0.00 0.00 34.13 31.88 2k3f s GLU 138 CO 0.08 0.03 -0.10 0.14 -0.54 0.00 0.00 175.26 174.86 2k3f s VAL 139 N -2.19 3.15 -0.11 3.70 -7.23 -1.26 -1.47 120.40 114.99 2k3f s VAL 139 Ca 0.55 -0.61 -0.04 0.00 -1.81 0.00 0.00 61.98 60.08 2k3f s VAL 139 Cb -0.10 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 2k3f s VAL 139 CO 0.22 0.49 0.04 0.68 -0.31 0.00 0.00 175.10 176.23 2k3f s VAL 140 N 0.74 4.66 -2.00 1.32 -7.23 0.28 -4.85 120.40 113.32 2k3f s VAL 140 Ca -0.05 -0.11 0.13 0.00 -1.81 0.00 0.00 61.98 60.15 2k3f s VAL 140 Cb -0.15 -3.00 0.38 0.00 0.56 0.00 0.00 36.38 34.17 2k3f s VAL 140 CO 0.02 0.59 1.22 -0.90 -0.31 0.00 0.00 175.10 175.72