#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 0.41 0.14 -5.12 0.00 -1.26 -5.16 121.76 110.78 2k3f s ALA 2 Ca 0.00 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 51.54 2k3f s ALA 2 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 2k3f s ALA 2 CO 0.00 0.01 -0.14 0.15 0.00 0.00 0.00 175.76 175.77 2k3f s LYS 3 N -0.92 1.10 -0.07 0.00 -0.14 -1.26 -5.13 119.74 113.32 2k3f s LYS 3 Ca -0.06 -1.32 -0.01 0.00 -1.36 0.00 0.00 55.97 53.22 2k3f s LYS 3 Cb -0.06 -0.96 0.03 0.00 -1.68 0.00 0.00 37.83 35.15 2k3f s LYS 3 CO -0.00 0.18 0.01 0.15 -0.76 0.00 0.00 175.35 174.93 2k3f s LYS 4 N -2.90 0.51 0.25 1.68 1.02 -1.26 -5.06 119.74 113.99 2k3f s LYS 4 Ca 0.12 0.15 -0.30 0.00 0.02 0.00 0.00 55.97 55.95 2k3f s LYS 4 Cb -0.04 -0.91 -0.11 0.00 -0.52 0.00 0.00 37.83 36.25 2k3f s LYS 4 CO 0.04 -0.31 1.54 0.08 -0.92 0.00 0.00 175.35 175.78 2k3f s VAL 5 N 2.00 2.38 -0.18 3.17 1.01 -1.26 0.48 120.40 127.99 2k3f s VAL 5 Ca 0.05 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.37 2k3f s VAL 5 Cb -0.12 -3.20 -0.13 0.00 0.00 0.00 0.00 36.38 32.93 2k3f s VAL 5 CO -0.05 0.04 -0.14 0.00 0.00 0.00 0.00 175.10 174.96 2k3f n ALA 6 N 2.63 1.60 -3.27 5.51 0.00 0.32 -4.56 120.51 122.74 2k3f n ALA 6 Ca 0.09 -0.83 -0.12 0.00 0.00 0.00 0.00 53.44 52.58 2k3f n ALA 6 Cb 0.38 0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.37 -1.35 -0.15 0.00 0.00 -0.05 -4.99 121.76 112.85 2k3f s ALA 7 Ca -0.23 0.35 -0.08 0.00 0.00 0.00 0.00 51.96 52.01 2k3f s ALA 7 Cb 0.06 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 2k3f s ALA 7 CO 0.46 -0.68 0.12 -0.65 0.00 0.00 0.00 175.76 175.00 2k3f s GLN 8 N -3.52 3.73 -0.70 0.00 -1.52 -1.26 -0.51 119.66 115.87 2k3f s GLN 8 Ca 0.00 -0.20 0.05 0.00 -1.95 0.00 0.00 55.36 53.26 2k3f s GLN 8 Cb 0.00 -3.24 0.17 0.00 -0.22 0.00 0.00 33.01 29.72 2k3f s GLN 8 CO -0.11 0.55 0.50 0.42 -0.25 0.00 0.00 175.29 176.40 2k3f s ILE 9 N -0.39 2.88 -0.01 1.08 -1.09 0.25 -4.93 121.20 118.99 2k3f s ILE 9 Ca 0.11 -4.28 -0.29 0.00 -2.23 0.00 0.00 60.65 53.96 2k3f s ILE 9 Cb -0.12 -2.90 -0.03 0.00 -1.58 0.00 0.00 42.46 37.84 2k3f s ILE 9 CO 0.01 -1.01 0.95 -0.54 -1.23 0.00 0.00 174.94 173.12 2k3f s LYS 10 N -1.46 4.54 -0.25 2.79 1.02 -1.26 -1.28 119.74 123.83 2k3f s LYS 10 Ca 0.25 1.35 -0.15 0.00 0.02 0.00 0.00 55.97 57.45 2k3f s LYS 10 Cb -0.04 -3.46 0.07 0.00 -0.52 0.00 0.00 37.83 33.88 2k3f s LYS 10 CO -0.17 -0.05 0.63 -0.48 -0.92 0.00 0.00 175.35 174.36 2k3f s LEU 11 N 1.05 -0.75 -0.26 3.17 0.05 -0.91 -4.95 118.68 116.09 2k3f s LEU 11 Ca 0.50 1.38 -0.27 0.00 0.05 0.00 0.00 54.13 55.78 2k3f s LEU 11 Cb -0.20 2.16 0.01 0.00 -2.05 0.00 0.00 46.19 46.10 2k3f s LEU 11 CO 0.26 -0.23 0.97 -1.10 -0.55 0.00 0.00 176.35 175.71 2k3f s GLN 12 N 1.55 4.18 -0.02 1.48 -0.21 -1.26 -2.49 119.66 122.89 2k3f s GLN 12 Ca -0.10 1.14 0.01 0.00 0.02 0.00 0.00 55.36 56.44 2k3f s GLN 12 Cb -0.06 -3.67 0.01 0.00 1.00 0.00 0.00 33.01 30.30 2k3f s GLN 12 CO -0.18 -0.66 -0.03 -0.51 -2.12 0.00 0.00 175.29 171.79 2k3f s LEU 13 N 3.17 1.56 0.00 2.90 1.43 0.58 -4.84 118.68 123.49 2k3f s LEU 13 Ca 0.41 -0.08 -0.33 0.00 -1.03 0.00 0.00 54.13 53.09 2k3f s LEU 13 Cb -0.14 -0.31 -0.12 0.00 0.03 0.00 0.00 46.19 45.65 2k3f s LEU 13 CO 0.08 -0.02 1.81 -2.65 0.23 0.00 0.00 176.35 175.81 2k3f n PRO 14 N 3.62 2.30 -1.73 1.29 -0.02 -1.23 0.88 135.00 140.12 2k3f n PRO 14 Ca -0.21 0.84 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 2k3f n PRO 14 Cb 0.54 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.30 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 3.23 3.88 0.00 3.55 0.00 0.39 -0.42 121.76 132.38 2k3f s ALA 15 Ca 0.88 1.54 0.00 0.00 0.00 0.00 0.00 51.96 54.38 2k3f s ALA 15 Cb -0.64 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 18.76 2k3f s ALA 15 CO 0.46 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.62 2k3f n GLY 16 N 4.05 0.87 2.52 0.00 0.00 -1.26 -0.77 105.19 110.60 2k3f n GLY 16 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 2k3f n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3f s LYS 17 N -0.08 0.62 -0.28 1.61 -0.14 0.44 -4.97 119.74 116.93 2k3f s LYS 17 Ca 0.00 -1.32 -0.19 0.00 -1.36 0.00 0.00 55.97 53.10 2k3f s LYS 17 Cb 0.00 -1.17 0.10 0.00 -1.68 0.00 0.00 37.83 35.09 2k3f s LYS 17 CO 0.00 -1.23 0.82 0.00 -0.76 0.00 0.00 175.35 174.18 2k3f s ALA 18 N 1.02 -1.99 0.00 5.17 0.00 -1.26 -3.63 121.76 121.07 2k3f s ALA 18 Ca 0.20 2.22 0.00 0.00 0.00 0.00 0.00 51.96 54.38 2k3f s ALA 18 Cb -0.18 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.47 2k3f s ALA 18 CO -0.02 -0.34 0.00 -2.37 0.00 0.00 0.00 175.76 173.02 2k3f n THR 19 N 3.59 0.00 -3.57 0.00 5.66 -1.26 -4.74 114.28 113.96 2k3f n THR 19 Ca -0.18 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.45 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 0.00 4.00 0.00 1.09 0.04 -1.26 -4.55 135.00 134.32 2k3f s PRO 20 Ca 0.00 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 60.81 2k3f s PRO 20 Cb 0.00 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.92 2k3f s PRO 20 CO 0.00 -0.13 0.00 0.00 0.04 0.00 0.00 177.00 176.91 2k3f n ALA 21 N 4.89 0.00 -0.10 8.56 0.00 -1.26 -3.57 120.51 129.03 2k3f n ALA 21 Ca -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.29 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 -0.09 -0.06 0.00 -0.02 -1.26 0.19 135.00 133.76 2k3f n PRO 22 Ca 0.00 0.39 -0.03 0.00 -2.02 0.00 0.00 63.50 61.84 2k3f n PRO 22 Cb 0.00 -0.57 -0.01 0.00 -0.02 0.00 0.00 33.50 32.89 2k3f n PRO 22 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2k3f h PRO 23 N 0.00 0.00 -0.09 0.52 0.14 -1.99 -3.43 132.00 127.16 2k3f h PRO 23 Ca 0.06 0.00 -0.16 0.00 0.14 0.00 0.00 66.00 66.04 2k3f h PRO 23 Cb 0.13 0.00 0.01 0.00 0.14 0.00 0.00 31.00 31.27 2k3f h PRO 23 CO -0.25 0.04 -0.58 0.28 0.14 0.00 0.00 178.00 177.63 2k3f h VAL 24 N -1.00 1.36 0.00 1.56 2.07 -1.13 -3.15 116.25 115.97 2k3f h VAL 24 Ca -0.01 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.60 2k3f h VAL 24 Cb 0.34 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2k3f h VAL 24 CO -0.01 0.57 0.00 0.61 0.02 0.00 0.00 177.57 178.77 2k3f n GLY 25 N 0.79 -2.72 0.29 2.17 0.00 0.51 -1.00 105.19 105.23 2k3f n GLY 25 Ca -0.08 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.18 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 0.15 0.00 1.61 0.11 -1.73 0.84 132.00 132.98 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 0.10 0.00 0.00 -0.21 0.00 0.00 178.00 177.89 2k3f n ALA 27 N -2.84 -0.10 -0.05 -0.75 0.00 -1.12 -2.03 120.51 113.63 2k3f n ALA 27 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.48 2k3f n ALA 27 Cb 0.56 0.21 -0.08 0.00 0.00 0.00 0.00 19.45 20.14 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 0.31 -0.95 0.00 3.38 -0.93 -3.31 115.31 113.80 2k3f h LEU 28 Ca 0.00 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2k3f h LEU 28 Cb 0.00 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 2k3f h LEU 28 CO 0.00 0.72 0.60 1.23 0.09 0.00 0.00 178.44 181.08 2k3f h GLY 29 N -0.10 1.36 2.00 0.83 0.00 0.62 0.18 103.07 107.96 2k3f h GLY 29 Ca 0.02 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 2k3f h GLY 29 CO 0.03 0.52 -0.12 -1.61 0.00 0.00 0.00 176.54 175.36 2k3f h GLN 30 N 1.30 0.00 -0.68 4.80 4.15 -1.50 0.65 115.11 123.82 2k3f h GLN 30 Ca 0.34 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.76 2k3f h GLN 30 Cb -0.10 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.59 2k3f h GLN 30 CO -0.07 0.12 0.00 0.72 -1.93 0.00 0.00 178.83 177.67 2k3f n HIS 31 N -3.98 1.29 -1.02 3.99 8.25 -0.08 -4.91 115.22 118.77 2k3f n HIS 31 Ca -0.02 -0.55 -0.01 0.00 -0.26 0.00 0.00 57.72 56.88 2k3f n HIS 31 Cb 0.21 -0.16 -0.00 0.00 1.12 0.00 0.00 29.99 31.16 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 1.31 0.45 3.75 -1.41 0.00 0.22 -4.95 105.19 104.56 2k3f n GLY 32 Ca 0.25 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.87 4.17 -0.61 1.61 1.01 0.45 -4.93 120.40 120.24 2k3f s VAL 33 Ca 0.00 2.00 -0.27 0.00 0.00 0.00 0.00 61.98 63.72 2k3f s VAL 33 Cb 0.00 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 2k3f s VAL 33 CO 0.00 0.49 1.81 0.20 0.00 0.00 0.00 175.10 177.60 2k3f s ASN 34 N -1.08 5.37 0.23 3.32 0.02 -1.26 -3.95 114.94 117.58 2k3f s ASN 34 Ca 0.40 0.33 -0.07 0.00 -1.02 0.00 0.00 52.86 52.50 2k3f s ASN 34 Cb -0.25 -2.53 0.38 0.00 0.02 0.00 0.00 41.25 38.87 2k3f s ASN 34 CO 0.31 -2.30 1.71 0.40 0.02 0.00 0.00 177.10 177.23 2k3f h ILE 35 N 6.82 0.61 0.36 0.60 2.04 -1.93 0.20 117.51 126.22 2k3f h ILE 35 Ca -0.26 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2k3f h ILE 35 Cb 1.15 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2k3f h ILE 35 CO 1.21 0.06 -0.18 0.24 0.00 0.00 0.00 178.15 179.49 2k3f h MET 36 N 0.31 -0.47 -0.74 2.37 2.86 -1.89 0.87 114.93 118.24 2k3f h MET 36 Ca 0.37 0.03 0.11 0.00 -2.06 0.00 0.00 59.70 58.15 2k3f h MET 36 Cb 0.57 0.11 -0.08 0.00 0.06 0.00 0.00 31.60 32.26 2k3f h MET 36 CO -0.43 -0.19 0.34 1.49 1.06 0.00 0.00 176.91 179.18 2k3f h GLU 37 N -0.73 0.53 0.62 1.72 4.57 -1.90 0.69 114.58 120.09 2k3f h GLU 37 Ca -0.05 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 2k3f h GLU 37 Cb 0.50 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 2k3f h GLU 37 CO 0.08 0.35 -0.31 0.35 -1.18 0.00 0.00 179.01 178.31 2k3f h PHE 38 N 0.55 -0.80 -0.14 0.92 3.57 -0.41 -2.72 116.94 117.92 2k3f h PHE 38 Ca 0.38 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.89 2k3f h PHE 38 Cb 0.48 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 2k3f h PHE 38 CO -0.13 -0.49 -0.02 0.00 -2.23 0.00 0.00 178.31 175.45 2k3f h LYS 40 N 0.02 0.00 0.04 0.00 3.64 0.28 0.24 116.57 120.80 2k3f h LYS 40 Ca 0.07 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2k3f h LYS 40 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2k3f h LYS 40 CO -0.12 0.03 -0.02 0.00 -2.27 0.00 0.00 179.45 177.07 2k3f h ARG 41 N 0.00 -0.06 -0.44 1.90 3.08 -0.94 -3.14 114.38 114.78 2k3f h ARG 41 Ca -0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 2k3f h ARG 41 Cb 0.30 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.29 2k3f h ARG 41 CO 0.00 -0.04 0.03 0.35 -1.07 0.00 0.00 179.97 179.25 2k3f h PHE 42 N -0.81 0.03 -0.21 3.04 3.57 0.13 0.46 116.94 123.15 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 0.05 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2k3f h PHE 42 CO 0.00 -0.06 0.12 -0.91 -2.23 0.00 0.00 178.31 175.23 2k3f h ASN 43 N 0.15 0.25 -0.73 0.41 -0.26 -0.75 0.47 115.58 115.12 2k3f h ASN 43 Ca 0.22 -0.06 -0.04 0.00 -0.56 0.00 0.00 56.30 55.86 2k3f h ASN 43 Cb 0.31 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.47 2k3f h ASN 43 CO -0.34 0.24 0.31 0.00 -1.06 0.00 0.00 177.43 176.58 2k3f h ALA 44 N 1.02 1.15 -0.33 -0.83 0.00 -1.20 -0.19 119.26 118.88 2k3f h ALA 44 Ca 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2k3f h ALA 44 Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2k3f h ALA 44 CO -0.01 0.62 0.13 0.93 0.00 0.00 0.00 179.25 180.92 2k3f h GLU 45 N 1.07 0.50 -0.02 0.00 4.39 0.58 -3.18 114.58 117.93 2k3f h GLU 45 Ca 0.25 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2k3f h GLU 45 Cb 0.18 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2k3f h GLU 45 CO -0.02 0.50 -0.03 0.25 -1.16 0.00 0.00 179.01 178.55 2k3f n THR 46 N -4.70 0.00 -0.36 1.13 -2.24 0.16 -4.27 114.28 103.99 2k3f n THR 46 Ca -0.01 -0.26 0.27 0.00 -2.27 0.00 0.00 64.05 61.77 2k3f n THR 46 Cb 0.14 0.57 0.53 0.00 -2.10 0.00 0.00 70.33 69.48 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 4.32 2.30 0.00 6.98 0.00 -1.01 0.76 119.26 132.61 2k3f h ALA 47 Ca 0.00 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2k3f h ALA 47 Cb 0.54 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2k3f h ALA 47 CO 0.00 -0.81 -0.79 -0.44 0.00 0.00 0.00 179.25 177.22 2k3f h ASP 48 N 0.31 0.00 -0.28 0.00 3.32 -1.84 -3.22 116.42 114.71 2k3f h ASP 48 Ca 0.68 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.63 2k3f h ASP 48 Cb 1.81 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.30 2k3f h ASP 48 CO -0.39 0.48 -0.06 0.29 -1.72 0.00 0.00 179.24 177.83 2k3f n LYS 49 N -3.09 2.11 -1.18 3.56 5.02 0.05 -5.04 118.16 119.59 2k3f n LYS 49 Ca -0.02 -3.03 -0.35 0.00 -2.02 0.00 0.00 58.31 52.89 2k3f n LYS 49 Cb 0.75 -1.79 0.09 0.00 -0.02 0.00 0.00 35.03 34.06 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 -0.97 -1.12 -0.56 7.82 0.00 -0.01 -3.83 120.51 121.85 2k3f n ALA 50 Ca 0.28 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2k3f n ALA 50 Cb 0.95 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 1.30 0.74 2.73 0.00 0.00 0.05 -4.92 105.19 105.09 2k3f n GLY 51 Ca 0.11 -0.54 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.16 0.02 -0.83 1.61 1.00 -1.24 -4.90 119.30 113.80 2k3f s MET 52 Ca 0.00 0.25 -0.25 0.00 0.00 0.00 0.00 55.69 55.69 2k3f s MET 52 Cb 0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 34.83 34.33 2k3f s MET 52 CO 0.00 -0.24 2.08 0.42 0.00 0.00 0.00 175.02 177.28 2k3f s ILE 53 N 1.58 3.31 0.01 2.53 -1.09 -1.26 0.15 121.20 126.42 2k3f s ILE 53 Ca -0.02 -0.21 -0.28 0.00 -2.23 0.00 0.00 60.65 57.91 2k3f s ILE 53 Cb -0.13 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 2k3f s ILE 53 CO -0.03 -0.66 0.88 -0.76 -1.23 0.00 0.00 174.94 173.14 2k3f s LEU 54 N 11.31 4.39 -0.75 2.97 1.43 0.25 -4.72 118.68 133.56 2k3f s LEU 54 Ca 0.77 1.54 -0.26 0.00 -1.03 0.00 0.00 54.13 55.16 2k3f s LEU 54 Cb -0.09 -3.41 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 2k3f s LEU 54 CO 0.05 -0.15 1.77 -2.84 0.23 0.00 0.00 176.35 175.41 2k3f s PRO 55 N 0.63 2.77 0.33 1.29 0.02 -1.26 -0.31 135.00 138.46 2k3f s PRO 55 Ca 0.46 0.06 -0.02 0.00 0.02 0.00 0.00 61.00 61.52 2k3f s PRO 55 Cb -0.21 -4.65 -0.04 0.00 0.02 0.00 0.00 34.50 29.62 2k3f s PRO 55 CO 0.25 -2.81 0.57 0.54 -0.33 0.00 0.00 177.00 175.22 2k3f s VAL 56 N 8.58 5.06 -0.12 3.83 0.11 -1.04 0.10 120.40 136.92 2k3f s VAL 56 Ca 0.62 -0.19 -0.02 0.00 -2.93 0.00 0.00 61.98 59.46 2k3f s VAL 56 Cb -0.09 -3.81 0.04 0.00 -1.53 0.00 0.00 36.38 30.99 2k3f s VAL 56 CO 0.11 -0.48 0.02 -0.69 -3.33 0.00 0.00 175.10 170.73 2k3f s VAL 57 N -2.25 0.41 -0.09 2.04 1.01 0.11 -2.13 120.40 119.49 2k3f s VAL 57 Ca 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 2k3f s VAL 57 Cb -0.10 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 2k3f s VAL 57 CO 0.34 0.07 -0.04 -0.63 0.00 0.00 0.00 175.10 174.84 2k3f s ILE 58 N 1.94 3.98 -0.45 2.22 1.01 -0.40 0.24 121.20 129.73 2k3f s ILE 58 Ca 0.03 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.34 2k3f s ILE 58 Cb -0.14 -2.67 0.12 0.00 0.01 0.00 0.00 42.46 39.79 2k3f s ILE 58 CO -0.06 0.58 0.20 -0.89 0.00 0.00 0.00 174.94 174.76 2k3f s THR 59 N -0.61 2.12 0.03 2.92 2.01 0.16 0.86 115.64 123.14 2k3f s THR 59 Ca 0.09 -2.80 -0.24 0.00 0.31 0.00 0.00 61.69 59.06 2k3f s THR 59 Cb -0.12 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.83 2k3f s THR 59 CO 0.02 -0.77 0.71 0.54 -0.69 0.00 0.00 174.62 174.43 2k3f s VAL 60 N 0.25 4.78 0.64 3.82 0.11 0.33 -2.44 120.40 127.89 2k3f s VAL 60 Ca 0.15 1.51 -0.00 0.00 -2.93 0.00 0.00 61.98 60.71 2k3f s VAL 60 Cb -0.24 -4.06 0.08 0.00 -1.53 0.00 0.00 36.38 30.64 2k3f s VAL 60 CO -0.03 0.38 0.90 -0.31 -3.33 0.00 0.00 175.10 172.71 2k3f s TYR 61 N -0.12 2.27 -0.06 1.54 2.02 0.15 0.12 117.35 123.27 2k3f s TYR 61 Ca 0.36 -0.10 0.27 0.00 -0.37 0.00 0.00 57.07 57.23 2k3f s TYR 61 Cb -0.20 -2.90 1.40 0.00 -0.40 0.00 0.00 41.96 39.86 2k3f s TYR 61 CO 0.21 -1.31 1.82 0.93 -1.57 0.00 0.00 175.55 175.63 2k3f h GLU 62 N -0.26 0.00 0.00 -0.62 5.08 -0.22 0.72 114.58 119.28 2k3f h GLU 62 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 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 0.47 0.00 0.00 -0.44 -1.00 0.00 0.00 179.01 178.04 2k3f h ASP 63 N 0.00 0.00 0.00 1.42 3.32 -1.93 -3.45 116.42 115.77 2k3f h ASP 63 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k3f h ASP 63 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2k3f h ASP 63 CO 0.00 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 2k3f n LYS 64 N -2.68 0.00 -1.40 3.56 5.02 0.25 -5.05 118.16 117.85 2k3f n LYS 64 Ca 0.03 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.03 2k3f n LYS 64 Cb 0.38 -2.27 0.19 0.00 -0.02 0.00 0.00 35.03 33.31 2k3f n LYS 64 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2k3f s SER 65 N -2.84 2.38 0.10 4.39 0.15 -1.25 -4.48 113.70 112.15 2k3f s SER 65 Ca 0.00 0.73 -0.14 0.00 0.70 0.00 0.00 55.95 57.25 2k3f s SER 65 Cb 0.00 -1.10 0.05 0.00 -1.71 0.00 0.00 66.02 63.26 2k3f s SER 65 CO 0.00 -3.23 0.65 2.22 1.20 0.00 0.00 173.24 174.08 2k3f n PHE 66 N -4.18 -0.98 -3.89 3.44 -1.74 -1.26 0.32 117.46 109.17 2k3f n PHE 66 Ca 0.10 -0.75 -0.09 0.00 -0.56 0.00 0.00 57.45 56.15 2k3f n PHE 66 Cb 0.59 0.37 -0.01 0.00 1.52 0.00 0.00 39.48 41.95 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 -2.24 0.00 0.04 1.97 -4.23 -1.02 -4.92 115.64 105.24 2k3f s THR 67 Ca 0.15 -1.13 -0.27 0.00 -1.18 0.00 0.00 61.69 59.25 2k3f s THR 67 Cb -0.02 -2.49 0.09 0.00 1.34 0.00 0.00 72.50 71.42 2k3f s THR 67 CO 0.03 0.00 0.76 0.72 -0.54 0.00 0.00 174.62 175.59 2k3f s PHE 68 N -3.12 -0.46 0.29 3.99 -0.71 -1.26 -0.66 117.98 116.04 2k3f s PHE 68 Ca 0.17 0.40 0.05 0.00 -1.04 0.00 0.00 56.93 56.51 2k3f s PHE 68 Cb -0.04 0.52 -0.06 0.00 -1.21 0.00 0.00 43.02 42.23 2k3f s PHE 68 CO 0.11 -0.65 -0.00 0.96 -1.34 0.00 0.00 175.22 174.30 2k3f s ILE 69 N -2.95 1.34 -0.06 -4.49 -4.36 0.14 -4.96 121.20 105.85 2k3f s ILE 69 Ca 0.01 -2.05 -0.00 0.00 -0.26 0.00 0.00 60.65 58.35 2k3f s ILE 69 Cb -0.01 -2.56 0.02 0.00 1.25 0.00 0.00 42.46 41.16 2k3f s ILE 69 CO -0.07 -0.19 -0.03 -0.63 0.24 0.00 0.00 174.94 174.25 2k3f s ILE 70 N -3.21 0.54 -1.22 8.37 1.01 -1.26 0.04 121.20 125.48 2k3f s ILE 70 Ca 0.32 -0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.72 2k3f s ILE 70 Cb 0.06 -0.61 0.02 0.00 0.01 0.00 0.00 42.46 41.94 2k3f s ILE 70 CO 0.13 0.26 1.76 -0.54 0.00 0.00 0.00 174.94 176.55 2k3f s LYS 71 N 1.41 3.49 -0.26 2.79 -0.14 0.12 -4.90 119.74 122.25 2k3f s LYS 71 Ca -0.03 -1.60 -0.37 0.00 -1.36 0.00 0.00 55.97 52.61 2k3f s LYS 71 Cb -0.13 -5.42 -0.13 0.00 -1.68 0.00 0.00 37.83 30.46 2k3f s LYS 71 CO -0.03 -2.74 1.94 -2.37 -0.76 0.00 0.00 175.35 171.39 2k3f n THR 72 N 6.89 0.33 -0.93 2.17 5.66 -1.26 -4.37 114.28 122.77 2k3f n THR 72 Ca 0.46 -0.14 -0.29 0.00 -3.05 0.00 0.00 64.05 61.03 2k3f n THR 72 Cb 0.47 -1.52 0.18 0.00 -1.55 0.00 0.00 70.33 67.91 2k3f n THR 72 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2k3f s PRO 73 N 4.64 0.40 -0.35 1.09 0.04 -1.26 -4.53 135.00 135.02 2k3f s PRO 73 Ca 1.01 0.87 -0.03 0.00 0.04 0.00 0.00 61.00 62.89 2k3f s PRO 73 Cb -0.91 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 31.86 2k3f s PRO 73 CO 0.57 -2.84 1.73 -2.30 0.04 0.00 0.00 177.00 174.19 2k3f n PRO 74 N -4.31 1.13 0.00 0.56 -0.02 -1.26 -4.56 135.00 126.55 2k3f n PRO 74 Ca 0.06 -0.82 0.00 0.00 -2.02 0.00 0.00 63.50 60.72 2k3f n PRO 74 Cb 0.55 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 3.74 0.00 -0.80 3.55 0.00 -1.26 -4.87 120.51 120.87 2k3f n ALA 75 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2k3f n ALA 75 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 2k3f n ALA 75 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2k3f n SER 76 N 0.18 0.00 0.17 0.00 3.41 -1.26 0.50 113.62 116.61 2k3f n SER 76 Ca 0.00 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.23 2k3f n SER 76 Cb 0.00 -0.05 0.17 0.00 -0.26 0.00 0.00 64.21 64.07 2k3f n SER 76 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 2k3f h PHE 77 N 0.00 0.00 -0.31 7.33 -5.15 -1.95 -3.00 116.94 113.86 2k3f h PHE 77 Ca 0.00 0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 57.66 2k3f h PHE 77 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.16 2k3f h PHE 77 CO -0.09 0.00 -0.27 -0.07 -2.00 0.00 0.00 178.31 175.87 2k3f h LEU 78 N 0.00 0.64 -0.89 2.10 -0.00 -1.87 -2.76 115.31 112.53 2k3f h LEU 78 Ca 0.00 -0.24 -0.03 0.00 -0.00 0.00 0.00 57.88 57.61 2k3f h LEU 78 Cb 0.94 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 41.39 2k3f h LEU 78 CO 0.00 0.89 0.37 -0.07 -0.00 0.00 0.00 178.44 179.63 2k3f h LEU 79 N 0.55 1.06 -1.55 1.67 3.38 0.18 -0.77 115.31 119.83 2k3f h LEU 79 Ca 0.07 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2k3f h LEU 79 Cb 0.75 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2k3f h LEU 79 CO 0.06 0.91 0.00 0.50 0.09 0.00 0.00 178.44 180.00 2k3f h LYS 80 N 1.15 0.00 -0.68 1.13 3.64 -1.41 0.71 116.57 121.10 2k3f h LYS 80 Ca 0.27 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.59 2k3f h LYS 80 Cb 0.14 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 2k3f h LYS 80 CO -0.03 0.00 0.16 0.87 -2.27 0.00 0.00 179.45 178.17 2k3f h LYS 81 N 0.00 1.09 0.05 1.90 1.79 -0.88 -3.33 116.57 117.19 2k3f h LYS 81 Ca 0.00 -0.26 -0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2k3f h LYS 81 Cb 0.26 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2k3f h LYS 81 CO 0.00 0.97 -0.02 0.00 -1.08 0.00 0.00 179.45 179.32 2k3f h ALA 82 N 1.13 -0.07 -2.32 3.86 0.00 -1.01 -3.44 119.26 117.42 2k3f h ALA 82 Ca 0.21 -0.18 -0.54 0.00 0.00 0.00 0.00 54.91 54.40 2k3f h ALA 82 Cb 0.38 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.20 2k3f h ALA 82 CO 0.00 -0.07 1.21 0.00 0.00 0.00 0.00 179.25 180.39 2k3f s ALA 83 N -2.70 3.55 -2.00 0.00 0.00 0.23 -4.81 121.76 116.02 2k3f s ALA 83 Ca -0.08 1.21 0.13 0.00 0.00 0.00 0.00 51.96 53.22 2k3f s ALA 83 Cb -0.01 -3.84 0.75 0.00 0.00 0.00 0.00 23.12 20.03 2k3f s ALA 83 CO 0.28 -1.60 1.47 0.41 0.00 0.00 0.00 175.76 176.33 2k3f n GLY 84 N 4.52 -0.99 3.75 0.00 0.00 -1.26 -4.54 105.19 106.66 2k3f n GLY 84 Ca 0.20 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2k3f n GLY 84 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k3f n ILE 85 N -0.70 1.87 -2.68 -0.61 -0.00 -1.26 -4.92 119.36 111.06 2k3f n ILE 85 Ca 0.09 -0.47 -0.05 0.00 -0.00 0.00 0.00 62.75 62.33 2k3f n ILE 85 Cb 0.04 -1.85 0.05 0.00 -0.00 0.00 0.00 39.64 37.88 2k3f n ILE 85 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 2k3f n GLU 86 N 0.69 0.55 -0.75 0.38 0.00 -1.26 -4.95 120.64 115.30 2k3f n GLU 86 Ca 0.03 -1.13 0.00 0.00 0.00 0.00 0.00 57.16 56.07 2k3f n GLU 86 Cb 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 31.44 31.72 2k3f n GLU 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2k3f n LYS 87 N -0.39 0.00 -2.72 5.31 3.00 -1.26 -5.10 118.16 117.01 2k3f n LYS 87 Ca -0.16 0.25 -0.07 0.00 -0.00 0.00 0.00 58.31 58.33 2k3f n LYS 87 Cb 0.72 -0.75 0.09 0.00 0.00 0.00 0.00 35.03 35.10 2k3f n LYS 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k3f n GLY 88 N -0.26 -0.10 3.73 3.14 0.00 -1.26 -5.14 105.19 105.30 2k3f n GLY 88 Ca 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.06 -0.14 0.00 1.61 1.04 -1.26 -4.86 113.70 109.03 2k3f s SER 89 Ca 0.24 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.30 2k3f s SER 89 Cb 0.27 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.81 2k3f s SER 89 CO -0.12 -0.77 0.00 -1.54 0.98 0.00 0.00 173.24 171.79 2k3f n SER 90 N -0.52 0.00 -0.13 7.02 3.41 -1.26 -4.98 113.62 117.15 2k3f n SER 90 Ca -0.06 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.46 2k3f n SER 90 Cb 0.61 0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.56 2k3f n SER 90 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2k3f h GLU 91 N 0.00 0.58 -1.69 4.33 3.07 -2.00 -3.45 114.58 115.42 2k3f h GLU 91 Ca 0.00 -0.09 -0.18 0.00 -0.50 0.00 0.00 59.36 58.59 2k3f h GLU 91 Cb 0.00 -0.10 0.04 0.00 -0.84 0.00 0.00 28.75 27.85 2k3f h GLU 91 CO 0.00 0.52 -0.23 -2.30 -1.40 0.00 0.00 179.01 175.60 2k3f n PRO 92 N -4.68 0.00 -2.26 2.33 -0.02 -1.26 -4.82 135.00 124.29 2k3f n PRO 92 Ca -0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 2k3f n PRO 92 Cb 0.12 -0.28 -0.03 0.00 -0.02 0.00 0.00 33.50 33.29 2k3f n PRO 92 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2k3f s LYS 93 N -0.28 4.46 -1.12 -0.52 1.02 -1.26 -2.23 119.74 119.81 2k3f s LYS 93 Ca 0.17 2.04 0.00 0.00 0.02 0.00 0.00 55.97 58.21 2k3f s LYS 93 Cb -0.20 -3.14 0.00 0.00 -0.52 0.00 0.00 37.83 33.97 2k3f s LYS 93 CO 0.17 -0.07 0.00 -2.13 -0.92 0.00 0.00 175.35 172.40 2k3f n ARG 94 N 1.32 -0.85 -0.01 1.68 0.00 -1.26 -2.61 116.66 114.93 2k3f n ARG 94 Ca 0.01 0.85 0.00 0.00 -0.00 0.00 0.00 57.85 58.71 2k3f n ARG 94 Cb 0.43 -4.83 0.00 0.00 0.00 0.00 0.00 32.46 28.06 2k3f n ARG 94 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2k3f n LYS 95 N -2.46 0.00 -3.33 -0.14 4.81 -0.94 -4.59 118.16 111.50 2k3f n LYS 95 Ca -0.11 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.25 2k3f n LYS 95 Cb 0.37 -1.46 -0.07 0.00 0.02 0.00 0.00 35.03 33.88 2k3f n LYS 95 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 2k3f s ILE 96 N -2.98 -0.63 0.21 3.15 2.07 -1.07 -4.22 121.20 117.73 2k3f s ILE 96 Ca 0.00 -0.07 -0.09 0.00 -1.41 0.00 0.00 60.65 59.08 2k3f s ILE 96 Cb 0.00 -0.83 0.16 0.00 0.13 0.00 0.00 42.46 41.92 2k3f s ILE 96 CO 0.00 -0.12 1.84 1.62 -1.91 0.00 0.00 174.94 176.37 2k3f h VAL 97 N 6.17 1.23 -4.07 4.00 3.04 -1.75 -3.35 116.25 121.53 2k3f h VAL 97 Ca -0.19 -0.55 -0.52 0.00 -1.01 0.00 0.00 66.70 64.42 2k3f h VAL 97 Cb 1.15 0.16 0.20 0.00 -2.01 0.00 0.00 31.29 30.80 2k3f h VAL 97 CO 0.27 0.25 0.04 0.61 -1.01 0.00 0.00 177.57 177.74 2k3f n GLY 98 N -1.13 -0.76 3.68 3.17 0.00 -1.26 -3.95 105.19 104.93 2k3f n GLY 98 Ca 0.08 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.42 1.76 -0.30 1.61 0.00 -1.26 -1.53 119.74 115.61 2k3f s LYS 99 Ca 0.65 -1.27 -0.11 0.00 0.00 0.00 0.00 55.97 55.24 2k3f s LYS 99 Cb -0.23 0.53 0.17 0.00 0.00 0.00 0.00 37.83 38.31 2k3f s LYS 99 CO 0.60 -0.77 0.90 0.14 0.00 0.00 0.00 175.35 176.22 2k3f s VAL 100 N -3.62 -0.59 0.31 1.79 -7.23 0.02 -4.48 120.40 106.60 2k3f s VAL 100 Ca 0.19 0.00 -0.24 0.00 -1.81 0.00 0.00 61.98 60.12 2k3f s VAL 100 Cb -0.03 -1.00 -0.16 0.00 0.56 0.00 0.00 36.38 35.75 2k3f s VAL 100 CO 0.10 0.00 0.28 1.07 -0.31 0.00 0.00 175.10 176.25 2k3f n THR 101 N 5.29 1.26 -0.39 5.32 5.66 -1.25 -3.39 114.28 126.78 2k3f n THR 101 Ca -0.07 -0.49 0.35 0.00 -3.05 0.00 0.00 64.05 60.78 2k3f n THR 101 Cb 0.52 0.00 0.68 0.00 -1.55 0.00 0.00 70.33 69.99 2k3f n THR 101 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2k3f h ARG 102 N 0.63 0.11 -0.63 1.09 3.08 -1.53 0.44 114.38 117.56 2k3f h ARG 102 Ca -0.32 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 59.76 2k3f h ARG 102 Cb 1.43 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 31.41 2k3f h ARG 102 CO 0.51 0.07 0.37 -0.22 -1.07 0.00 0.00 179.97 179.63 2k3f h LYS 103 N 0.11 0.68 -0.32 0.04 1.63 -1.87 -1.43 116.57 115.41 2k3f h LYS 103 Ca 0.66 -0.04 0.04 0.00 -0.85 0.00 0.00 60.65 60.46 2k3f h LYS 103 Cb 2.31 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 33.75 2k3f h LYS 103 CO -0.15 0.45 0.10 0.37 -3.45 0.00 0.00 179.45 176.77 2k3f h GLN 104 N 0.70 0.23 -0.85 1.90 -0.00 -1.21 -1.50 115.11 114.37 2k3f h GLN 104 Ca 0.27 -0.01 0.18 0.00 -0.00 0.00 0.00 58.65 59.09 2k3f h GLN 104 Cb 0.11 -0.05 -0.16 0.00 0.00 0.00 0.00 27.48 27.37 2k3f h GLN 104 CO -0.14 0.15 -0.17 0.82 0.00 0.00 0.00 178.83 179.49 2k3f h ILE 105 N 0.23 0.16 -0.24 2.39 1.08 -1.27 -1.96 117.51 117.90 2k3f h ILE 105 Ca 0.15 -0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.65 2k3f h ILE 105 Cb 0.13 0.14 -0.06 0.00 -3.07 0.00 0.00 36.82 33.96 2k3f h ILE 105 CO -0.16 0.00 -0.43 -0.08 -0.69 0.00 0.00 178.15 176.78 2k3f h GLU 106 N 0.01 -0.35 -0.05 2.37 4.81 -0.28 0.57 114.58 121.65 2k3f h GLU 106 Ca 0.43 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.72 2k3f h GLU 106 Cb 0.69 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.10 2k3f h GLU 106 CO -0.86 -0.24 -0.30 0.93 -0.73 0.00 0.00 179.01 177.82 2k3f h GLU 107 N -0.37 -0.40 -0.42 1.92 5.08 -1.16 0.62 114.58 119.84 2k3f h GLU 107 Ca 0.04 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.51 2k3f h GLU 107 Cb 0.49 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.74 2k3f h GLU 107 CO -0.42 -0.27 -0.37 0.82 -1.00 0.00 0.00 179.01 177.77 2k3f h ILE 108 N -0.42 0.17 -1.03 3.13 1.08 -1.32 -0.09 117.51 119.03 2k3f h ILE 108 Ca 0.08 0.00 0.26 0.00 -0.39 0.00 0.00 64.86 64.80 2k3f h ILE 108 Cb 0.53 0.17 -0.10 0.00 -3.07 0.00 0.00 36.82 34.35 2k3f h ILE 108 CO -0.29 0.00 0.65 0.00 -0.69 0.00 0.00 178.15 177.83 2k3f h ALA 109 N 0.64 2.15 -0.02 1.87 0.00 0.27 -2.71 119.26 121.46 2k3f h ALA 109 Ca 0.16 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2k3f h ALA 109 Cb 0.56 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k3f h ALA 109 CO -0.57 -0.55 -0.05 0.87 0.00 0.00 0.00 179.25 178.94 2k3f h LYS 110 N 0.44 0.06 -0.88 0.00 1.57 0.19 -2.53 116.57 115.42 2k3f h LYS 110 Ca 0.59 -0.05 0.15 0.00 -1.87 0.00 0.00 60.65 59.48 2k3f h LYS 110 Cb 1.42 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.67 2k3f h LYS 110 CO -0.32 0.68 0.57 0.00 -0.57 0.00 0.00 179.45 179.81 2k3f h THR 111 N -0.54 0.80 -0.46 -0.16 1.03 -0.92 -2.27 112.91 110.40 2k3f h THR 111 Ca -0.00 -0.21 0.00 0.00 -0.01 0.00 0.00 66.41 66.19 2k3f h THR 111 Cb 0.68 0.13 0.00 0.00 -1.07 0.00 0.00 68.15 67.89 2k3f h THR 111 CO 0.01 0.11 0.00 2.29 -0.01 0.00 0.00 175.52 177.92 2k3f n LYS 112 N -4.55 3.13 -0.34 0.00 -0.00 -1.18 -4.58 118.16 110.64 2k3f n LYS 112 Ca 0.17 -2.53 0.07 0.00 -0.00 0.00 0.00 58.31 56.02 2k3f n LYS 112 Cb 0.52 -1.61 0.25 0.00 -0.00 0.00 0.00 35.03 34.19 2k3f n LYS 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k3f h MET 113 N 2.82 0.95 0.00 -1.58 -0.00 -0.95 0.20 114.93 116.37 2k3f h MET 113 Ca 0.00 -0.06 -0.10 0.00 -0.00 0.00 0.00 59.70 59.54 2k3f h MET 113 Cb 1.12 -0.21 -0.01 0.00 -0.00 0.00 0.00 31.60 32.49 2k3f h MET 113 CO 0.12 0.63 -0.50 -1.00 -0.00 0.00 0.00 176.91 176.16 2k3f h PRO 114 N 0.98 0.00 0.04 -0.10 0.13 -1.82 -3.06 132.00 128.17 2k3f h PRO 114 Ca 0.47 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 65.22 2k3f h PRO 114 Cb 0.45 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.53 2k3f h PRO 114 CO -0.23 0.50 -2.22 -0.25 -0.23 0.00 0.00 178.00 175.57 2k3f n ASP 115 N -3.79 2.01 0.00 1.44 8.00 -0.89 -4.19 116.55 119.13 2k3f n ASP 115 Ca -0.01 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.59 2k3f n ASP 115 Cb 0.54 -0.67 0.02 0.00 -0.02 0.00 0.00 41.12 40.98 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 -3.60 0.00 -2.64 0.64 4.32 0.65 -4.76 117.00 111.61 2k3f n LEU 116 Ca -0.41 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.39 2k3f n LEU 116 Cb 0.96 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.80 2k3f n LEU 116 CO 0.27 0.00 0.05 -3.20 -1.22 0.00 0.00 177.39 173.30 2k3f n ASN 117 N -0.52 -5.38 0.00 -1.43 2.85 -1.26 -4.93 115.26 104.60 2k3f n ASN 117 Ca 0.00 -0.29 -0.00 0.00 -0.11 0.00 0.00 54.58 54.19 2k3f n ASN 117 Cb 0.00 -4.16 -0.00 0.00 1.24 0.00 0.00 39.78 36.86 2k3f n ASN 117 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k3f h ALA 118 N 0.82 -0.52 0.00 5.20 0.00 -1.82 -3.48 119.26 119.46 2k3f h ALA 118 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2k3f h ALA 118 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2k3f h ALA 118 CO 0.46 -0.52 0.00 -1.71 0.00 0.00 0.00 179.25 177.48 2k3f n ASN 119 N -2.05 0.00 -3.82 0.00 2.85 -1.26 -4.78 115.26 106.20 2k3f n ASN 119 Ca -0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.35 2k3f n ASN 119 Cb 0.00 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 40.92 2k3f n ASN 119 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2k3f s SER 120 N 0.10 -0.13 0.23 1.20 1.04 -1.26 -5.05 113.70 109.83 2k3f s SER 120 Ca 0.00 0.16 -0.08 0.00 0.48 0.00 0.00 55.95 56.51 2k3f s SER 120 Cb 0.00 0.34 0.25 0.00 0.10 0.00 0.00 66.02 66.71 2k3f s SER 120 CO 0.00 -0.23 1.87 0.25 0.98 0.00 0.00 173.24 176.11 2k3f h LEU 121 N 5.03 0.87 -0.85 2.42 5.85 -1.93 -0.40 115.31 126.29 2k3f h LEU 121 Ca -0.28 -0.00 0.20 0.00 0.84 0.00 0.00 57.88 58.64 2k3f h LEU 121 Cb 1.19 -0.19 -0.12 0.00 0.37 0.00 0.00 40.66 41.91 2k3f h LEU 121 CO 0.39 0.60 0.32 -0.33 -0.34 0.00 0.00 178.44 179.08 2k3f h GLU 122 N 1.02 0.35 0.17 1.25 5.08 -1.98 0.63 114.58 121.10 2k3f h GLU 122 Ca 0.33 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2k3f h GLU 122 Cb 0.02 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2k3f h GLU 122 CO -0.12 0.23 -0.08 0.00 -1.00 0.00 0.00 179.01 178.04 2k3f h ALA 123 N 1.69 -0.23 -0.49 3.43 0.00 -1.59 -2.63 119.26 119.44 2k3f h ALA 123 Ca 0.52 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.45 2k3f h ALA 123 Cb 0.96 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2k3f h ALA 123 CO -0.53 -0.56 0.35 0.00 0.00 0.00 0.00 179.25 178.52 2k3f h ALA 124 N 0.44 2.40 -0.33 0.00 0.00 0.81 -2.16 119.26 120.41 2k3f h ALA 124 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2k3f h ALA 124 Cb 0.29 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2k3f h ALA 124 CO 0.04 -0.53 0.18 0.52 0.00 0.00 0.00 179.25 179.46 2k3f h MET 125 N 0.05 0.47 -0.83 0.00 2.07 0.49 -3.01 114.93 114.17 2k3f h MET 125 Ca 0.23 -0.05 -0.04 0.00 -2.07 0.00 0.00 59.70 57.77 2k3f h MET 125 Cb 0.87 -0.09 -0.04 0.00 -1.87 0.00 0.00 31.60 30.47 2k3f h MET 125 CO -0.01 0.39 0.36 1.57 1.07 0.00 0.00 176.91 180.29 2k3f h LYS 126 N 0.42 1.22 0.47 1.72 5.09 -1.18 -1.53 116.57 122.77 2k3f h LYS 126 Ca 0.12 -0.20 -0.01 0.00 0.09 0.00 0.00 60.65 60.65 2k3f h LYS 126 Cb 0.06 -0.21 -0.02 0.00 0.10 0.00 0.00 32.23 32.16 2k3f h LYS 126 CO -0.02 0.96 -0.48 0.97 -2.09 0.00 0.00 179.45 178.79 2k3f h ILE 127 N 1.19 0.05 -0.15 0.07 -0.00 -1.54 -1.19 117.51 115.95 2k3f h ILE 127 Ca 0.28 0.00 0.04 0.00 -0.00 0.00 0.00 64.86 65.18 2k3f h ILE 127 Cb 0.17 0.05 -0.07 0.00 -0.00 0.00 0.00 36.82 36.97 2k3f h ILE 127 CO -0.03 0.00 -0.45 0.40 -0.00 0.00 0.00 178.15 178.07 2k3f h ILE 128 N -0.97 0.10 -0.63 2.19 1.08 -1.33 1.03 117.51 118.99 2k3f h ILE 128 Ca -0.05 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.49 2k3f h ILE 128 Cb 0.85 0.10 -0.06 0.00 -3.07 0.00 0.00 36.82 34.64 2k3f h ILE 128 CO -0.07 0.00 0.31 1.05 -0.69 0.00 0.00 178.15 178.76 2k3f h GLU 129 N -0.51 0.55 -0.03 2.37 4.11 -1.33 -0.78 114.58 118.97 2k3f h GLU 129 Ca 0.07 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.45 2k3f h GLU 129 Cb 0.64 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 2k3f h GLU 129 CO -0.42 0.37 -0.03 0.78 0.07 0.00 0.00 179.01 179.78 2k3f h GLY 130 N 0.57 0.09 -0.34 1.06 0.00 0.18 0.26 103.07 104.89 2k3f h GLY 130 Ca 0.30 -0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.58 2k3f h GLY 130 CO -0.22 0.07 -0.45 -0.84 0.00 0.00 0.00 176.54 175.11 2k3f h THR 131 N -0.36 0.00 -0.48 4.70 2.02 0.11 0.29 112.91 119.20 2k3f h THR 131 Ca 0.01 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.28 2k3f h THR 131 Cb 0.49 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.81 2k3f h THR 131 CO 0.01 0.00 -0.18 0.00 0.37 0.00 0.00 175.52 175.72 2k3f h ALA 132 N -0.29 0.21 -0.64 6.16 0.00 -1.02 -0.84 119.26 122.83 2k3f h ALA 132 Ca 0.06 0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.28 2k3f h ALA 132 Cb 0.47 0.47 -0.11 0.00 0.00 0.00 0.00 17.79 18.62 2k3f h ALA 132 CO -0.48 -0.51 -0.04 0.87 0.00 0.00 0.00 179.25 179.08 2k3f h LYS 133 N -0.07 0.08 -0.82 0.00 1.57 0.29 0.50 116.57 118.11 2k3f h LYS 133 Ca 0.23 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 2k3f h LYS 133 Cb 0.42 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 2k3f h LYS 133 CO -0.53 0.05 0.38 0.77 -0.57 0.00 0.00 179.45 179.55 2k3f h SER 134 N 0.08 1.09 -0.35 0.86 0.02 0.79 -3.01 113.55 113.03 2k3f h SER 134 Ca 0.33 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2k3f h SER 134 Cb 0.54 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2k3f h SER 134 CO -0.59 0.93 0.00 1.15 -1.14 0.00 0.00 176.83 177.18 2k3f n MET 135 N -4.30 2.59 0.00 3.45 0.00 -0.15 -4.87 117.12 113.84 2k3f n MET 135 Ca 0.08 -1.58 0.00 0.00 0.00 0.00 0.00 57.70 56.20 2k3f n MET 135 Cb 0.15 -1.65 0.00 0.00 0.00 0.00 0.00 33.22 31.72 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 0.68 3.15 3.70 3.17 0.00 -0.75 -4.77 105.19 110.37 2k3f n GLY 136 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.79 4.93 0.47 -0.61 1.09 0.16 -4.30 121.20 120.14 2k3f s ILE 137 Ca 0.00 1.76 -0.08 0.00 -1.10 0.00 0.00 60.65 61.23 2k3f s ILE 137 Cb 0.00 -4.19 -0.05 0.00 -1.06 0.00 0.00 42.46 37.17 2k3f s ILE 137 CO 0.00 0.15 0.82 -0.70 -0.10 0.00 0.00 174.94 175.11 2k3f s GLU 138 N 1.25 3.65 -0.16 2.79 2.56 -0.58 -2.06 118.70 126.15 2k3f s GLU 138 Ca 0.44 0.40 0.00 0.00 0.00 0.00 0.00 54.97 55.81 2k3f s GLU 138 Cb -0.19 -2.33 -0.00 0.00 2.00 0.00 0.00 34.13 33.61 2k3f s GLU 138 CO 0.21 -0.20 -0.15 0.14 -0.56 0.00 0.00 175.26 174.70 2k3f s VAL 139 N -2.67 2.64 0.27 3.70 -7.23 -1.26 -0.80 120.40 115.05 2k3f s VAL 139 Ca 0.50 -0.77 0.04 0.00 -1.81 0.00 0.00 61.98 59.93 2k3f s VAL 139 Cb -0.10 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.69 2k3f s VAL 139 CO 0.41 0.51 0.42 0.68 -0.31 0.00 0.00 175.10 176.81 2k3f s VAL 140 N 0.89 5.18 -2.00 1.32 -7.23 -1.22 -4.82 120.40 112.53 2k3f s VAL 140 Ca -0.04 -0.83 0.01 0.00 -1.81 0.00 0.00 61.98 59.31 2k3f s VAL 140 Cb -0.15 -3.85 0.02 0.00 0.56 0.00 0.00 36.38 32.96 2k3f s VAL 140 CO -0.01 -0.40 0.54 0.47 -0.31 0.00 0.00 175.10 175.39