#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 2.95 0.70 3.04 0.00 -1.26 -5.07 121.76 122.12 2k3f s ALA 2 Ca 0.00 -1.57 -0.11 0.00 0.00 0.00 0.00 51.96 50.28 2k3f s ALA 2 Cb 0.00 -2.35 0.01 0.00 0.00 0.00 0.00 23.12 20.78 2k3f s ALA 2 CO 0.00 -2.06 1.08 0.15 0.00 0.00 0.00 175.76 174.93 2k3f s LYS 3 N -5.56 2.91 0.06 0.00 1.02 -1.26 -5.03 119.74 111.88 2k3f s LYS 3 Ca 0.72 0.63 -0.19 0.00 0.02 0.00 0.00 55.97 57.16 2k3f s LYS 3 Cb -0.03 -2.01 -0.06 0.00 -0.52 0.00 0.00 37.83 35.20 2k3f s LYS 3 CO 0.49 -1.04 0.54 0.15 -0.92 0.00 0.00 175.35 174.58 2k3f s LYS 4 N -5.23 4.15 0.23 1.68 1.02 -1.26 -4.94 119.74 115.39 2k3f s LYS 4 Ca 0.58 0.68 -0.31 0.00 0.02 0.00 0.00 55.97 56.94 2k3f s LYS 4 Cb -0.12 -3.24 -0.11 0.00 -0.52 0.00 0.00 37.83 33.84 2k3f s LYS 4 CO 0.53 0.64 1.57 0.08 -0.92 0.00 0.00 175.35 177.25 2k3f s VAL 5 N -1.07 2.37 -0.21 3.17 1.01 -1.26 -0.42 120.40 123.99 2k3f s VAL 5 Ca 0.28 0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.60 2k3f s VAL 5 Cb -0.19 -3.18 -0.16 0.00 0.00 0.00 0.00 36.38 32.84 2k3f s VAL 5 CO 0.18 0.04 -0.12 0.00 0.00 0.00 0.00 175.10 175.19 2k3f n ALA 6 N 3.04 1.54 -3.48 5.51 0.00 0.34 -4.59 120.51 122.88 2k3f n ALA 6 Ca 0.11 -1.00 -0.04 0.00 0.00 0.00 0.00 53.44 52.51 2k3f n ALA 6 Cb 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.79 2k3f n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k3f n ALA 7 N -3.00 -0.60 -3.72 0.00 0.00 0.20 -4.98 120.51 108.41 2k3f n ALA 7 Ca -0.36 -0.76 -0.14 0.00 0.00 0.00 0.00 53.44 52.18 2k3f n ALA 7 Cb 0.96 0.61 -0.15 0.00 0.00 0.00 0.00 19.45 20.87 2k3f n ALA 7 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2k3f s GLN 8 N -2.22 0.04 -0.64 0.00 -2.07 -1.26 -1.68 119.66 111.84 2k3f s GLN 8 Ca 0.12 0.28 0.04 0.00 -1.82 0.00 0.00 55.36 53.99 2k3f s GLN 8 Cb -0.02 -0.20 0.15 0.00 -1.09 0.00 0.00 33.01 31.86 2k3f s GLN 8 CO 0.09 -0.16 0.41 0.42 -1.32 0.00 0.00 175.29 174.72 2k3f s ILE 9 N 1.08 2.81 0.03 3.63 -1.09 0.15 -4.90 121.20 122.92 2k3f s ILE 9 Ca -0.09 -3.90 -0.30 0.00 -2.23 0.00 0.00 60.65 54.14 2k3f s ILE 9 Cb -0.12 -2.88 -0.04 0.00 -1.58 0.00 0.00 42.46 37.84 2k3f s ILE 9 CO -0.04 -0.93 1.07 -0.54 -1.23 0.00 0.00 174.94 173.27 2k3f s LYS 10 N -0.99 4.51 -0.26 2.79 1.02 -1.26 -1.29 119.74 124.25 2k3f s LYS 10 Ca 0.22 1.57 -0.12 0.00 0.02 0.00 0.00 55.97 57.66 2k3f s LYS 10 Cb -0.13 -3.41 0.10 0.00 -0.52 0.00 0.00 37.83 33.87 2k3f s LYS 10 CO -0.10 -0.12 0.60 -0.48 -0.92 0.00 0.00 175.35 174.33 2k3f s LEU 11 N 0.97 -0.88 -0.23 3.17 0.05 -0.57 -4.96 118.68 116.23 2k3f s LEU 11 Ca 0.54 1.39 -0.26 0.00 0.05 0.00 0.00 54.13 55.85 2k3f s LEU 11 Cb -0.25 2.09 0.00 0.00 -2.05 0.00 0.00 46.19 45.98 2k3f s LEU 11 CO 0.29 -0.23 0.92 -1.10 -0.55 0.00 0.00 176.35 175.68 2k3f s GLN 12 N 2.22 4.22 -0.01 1.48 -0.21 -1.26 -2.66 119.66 123.45 2k3f s GLN 12 Ca -0.07 1.12 0.01 0.00 0.02 0.00 0.00 55.36 56.44 2k3f s GLN 12 Cb -0.09 -3.64 0.00 0.00 1.00 0.00 0.00 33.01 30.28 2k3f s GLN 12 CO -0.18 -0.56 -0.03 -0.51 -2.12 0.00 0.00 175.29 171.90 2k3f s LEU 13 N 2.96 1.91 0.04 2.90 1.43 -0.05 -4.87 118.68 123.00 2k3f s LEU 13 Ca 0.39 -0.06 -0.34 0.00 -1.03 0.00 0.00 54.13 53.09 2k3f s LEU 13 Cb -0.15 -0.19 -0.13 0.00 0.03 0.00 0.00 46.19 45.76 2k3f s LEU 13 CO 0.07 0.03 1.75 -2.65 0.23 0.00 0.00 176.35 175.77 2k3f n PRO 14 N 3.13 2.23 -1.80 1.29 -0.02 -1.21 0.80 135.00 139.44 2k3f n PRO 14 Ca -0.14 0.81 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 2k3f n PRO 14 Cb 0.58 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 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 2.58 3.77 0.00 3.55 0.00 0.40 -0.52 121.76 131.54 2k3f s ALA 15 Ca 0.86 1.40 0.00 0.00 0.00 0.00 0.00 51.96 54.21 2k3f s ALA 15 Cb -0.66 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 18.74 2k3f s ALA 15 CO 0.44 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.51 2k3f n GLY 16 N 4.08 1.72 2.56 0.00 0.00 -1.24 -0.26 105.19 112.05 2k3f n GLY 16 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.16 0.16 -0.29 1.61 -0.14 0.32 -4.98 119.74 116.27 2k3f s LYS 17 Ca 0.00 -0.42 -0.17 0.00 -1.36 0.00 0.00 55.97 54.02 2k3f s LYS 17 Cb 0.00 -1.34 0.15 0.00 -1.68 0.00 0.00 37.83 34.96 2k3f s LYS 17 CO 0.00 -0.93 1.01 0.00 -0.76 0.00 0.00 175.35 174.67 2k3f s ALA 18 N 2.10 -2.29 0.31 5.17 0.00 -1.26 -3.29 121.76 122.50 2k3f s ALA 18 Ca 0.07 2.16 0.00 0.00 0.00 0.00 0.00 51.96 54.19 2k3f s ALA 18 Cb -0.16 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.24 2k3f s ALA 18 CO -0.30 -0.33 0.00 2.41 0.00 0.00 0.00 175.76 177.54 2k3f n THR 19 N 3.54 0.00 -4.41 0.00 -1.04 -1.26 -4.68 114.28 106.43 2k3f n THR 19 Ca -0.18 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.49 2k3f n THR 19 Cb 0.57 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.98 2k3f n THR 19 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2k3f s PRO 20 N -2.00 3.22 0.00 -2.82 0.04 -1.26 -4.53 135.00 127.65 2k3f s PRO 20 Ca 0.00 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 60.58 2k3f s PRO 20 Cb 0.00 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.72 2k3f s PRO 20 CO 0.00 0.53 0.00 0.00 0.04 0.00 0.00 177.00 177.57 2k3f n ALA 21 N 2.68 0.00 -0.23 8.56 0.00 -1.26 -3.37 120.51 126.88 2k3f n ALA 21 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.25 2k3f n ALA 21 Cb 0.53 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.15 -0.08 0.00 -0.02 -1.26 0.87 135.00 134.36 2k3f n PRO 22 Ca 0.00 0.93 -0.12 0.00 -2.02 0.00 0.00 63.50 62.29 2k3f n PRO 22 Cb 0.00 -1.38 -0.08 0.00 -0.02 0.00 0.00 33.50 32.02 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 0.00 0.52 0.13 -1.99 -3.45 132.00 127.22 2k3f h PRO 23 Ca 0.20 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.32 2k3f h PRO 23 Cb 0.36 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.48 2k3f h PRO 23 CO -0.60 0.64 -0.12 0.28 -0.23 0.00 0.00 178.00 177.96 2k3f h VAL 24 N -1.00 0.67 0.00 1.56 2.07 -0.62 -3.26 116.25 115.68 2k3f h VAL 24 Ca -0.10 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 65.89 2k3f h VAL 24 Cb 0.81 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2k3f h VAL 24 CO -0.06 0.23 0.00 0.61 0.02 0.00 0.00 177.57 178.36 2k3f n GLY 25 N 1.69 -3.44 0.32 2.17 0.00 0.25 -1.60 105.19 104.58 2k3f n GLY 25 Ca -0.06 0.62 0.19 0.00 0.00 0.00 0.00 46.02 46.78 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 0.28 0.00 1.61 0.11 -1.80 0.11 132.00 132.31 2k3f h PRO 26 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2k3f h PRO 26 Cb 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.05 2k3f h PRO 26 CO 0.00 0.18 0.00 0.00 -0.21 0.00 0.00 178.00 177.97 2k3f n ALA 27 N -2.46 0.00 0.18 -0.75 0.00 -0.63 -2.83 120.51 114.02 2k3f n ALA 27 Ca 0.28 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.77 2k3f n ALA 27 Cb 0.86 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.61 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 0.00 -0.24 0.00 -0.00 -1.45 -3.26 115.31 110.36 2k3f h LEU 28 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.70 2k3f h LEU 28 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2k3f h LEU 28 CO 0.00 0.39 -0.56 1.23 -0.00 0.00 0.00 178.44 179.50 2k3f h GLY 29 N 2.28 0.88 2.00 0.17 0.00 -0.89 -1.43 103.07 106.07 2k3f h GLY 29 Ca -0.00 -1.08 0.00 0.00 0.00 0.00 0.00 47.33 46.25 2k3f h GLY 29 CO 0.05 0.97 0.00 -1.61 0.00 0.00 0.00 176.54 175.95 2k3f h GLN 30 N 0.55 0.00 -0.61 4.80 4.15 -1.25 0.20 115.11 122.96 2k3f h GLN 30 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 2k3f h GLN 30 Cb 1.17 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.86 2k3f h GLN 30 CO 0.12 0.00 0.01 0.72 -1.93 0.00 0.00 178.83 177.75 2k3f n HIS 31 N -2.56 2.00 -0.36 3.99 8.25 -0.74 -4.89 115.22 120.92 2k3f n HIS 31 Ca -0.01 -0.70 0.00 0.00 -0.26 0.00 0.00 57.72 56.75 2k3f n HIS 31 Cb 0.11 -0.50 0.00 0.00 1.12 0.00 0.00 29.99 30.72 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 0.58 0.81 3.81 -1.41 0.00 0.71 -4.95 105.19 104.74 2k3f n GLY 32 Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.78 4.44 -0.64 1.61 1.01 -0.62 -4.93 120.40 118.49 2k3f s VAL 33 Ca 0.00 1.43 -0.26 0.00 0.00 0.00 0.00 61.98 63.15 2k3f s VAL 33 Cb 0.00 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 2k3f s VAL 33 CO 0.00 -0.04 1.88 0.20 0.00 0.00 0.00 175.10 177.14 2k3f s ASN 34 N -1.91 5.24 0.31 3.32 0.01 -1.26 -4.02 114.94 116.63 2k3f s ASN 34 Ca 0.53 0.23 0.06 0.00 -0.71 0.00 0.00 52.86 52.97 2k3f s ASN 34 Cb -0.14 -2.53 0.74 0.00 0.41 0.00 0.00 41.25 39.73 2k3f s ASN 34 CO 0.19 -2.43 1.81 0.40 -1.51 0.00 0.00 177.10 175.56 2k3f h ILE 35 N 6.94 0.76 0.16 0.60 1.08 -1.93 0.19 117.51 125.31 2k3f h ILE 35 Ca -0.22 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 63.97 2k3f h ILE 35 Cb 1.15 -0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 2k3f h ILE 35 CO 1.22 0.14 -0.08 0.24 -0.69 0.00 0.00 178.15 178.98 2k3f h MET 36 N 0.78 -0.21 -1.00 2.37 2.86 -1.88 0.61 114.93 118.46 2k3f h MET 36 Ca 0.54 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 58.24 2k3f h MET 36 Cb 0.82 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.47 2k3f h MET 36 CO -0.32 0.04 0.65 0.93 1.06 0.00 0.00 176.91 179.27 2k3f h GLU 37 N -0.45 1.21 0.83 1.72 5.08 -1.78 0.49 114.58 121.68 2k3f h GLU 37 Ca -0.02 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 2k3f h GLU 37 Cb 0.35 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2k3f h GLU 37 CO 0.04 0.80 -0.49 0.35 -1.00 0.00 0.00 179.01 178.72 2k3f h PHE 38 N 1.25 -1.29 -0.24 4.33 3.57 -0.42 -1.89 116.94 122.25 2k3f h PHE 38 Ca 0.40 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.90 2k3f h PHE 38 Cb 0.02 0.45 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 2k3f h PHE 38 CO -0.00 -0.74 0.12 0.00 -2.23 0.00 0.00 178.31 175.46 2k3f h LYS 40 N 0.25 0.00 0.05 0.00 3.64 -0.11 0.12 116.57 120.52 2k3f h LYS 40 Ca 0.10 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2k3f h LYS 40 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2k3f h LYS 40 CO -0.07 0.07 -0.03 0.00 -2.27 0.00 0.00 179.45 177.15 2k3f h ARG 41 N 0.00 -0.07 -0.73 1.90 3.08 -0.26 -3.14 114.38 115.15 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 0.32 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.31 2k3f h ARG 41 CO 0.01 -0.05 0.39 0.35 -1.07 0.00 0.00 179.97 179.60 2k3f h PHE 42 N -0.69 0.70 0.13 3.04 3.57 0.44 0.30 116.94 124.43 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 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.59 2k3f h PHE 42 CO 0.01 0.28 -0.07 -0.91 -2.23 0.00 0.00 178.31 175.38 2k3f h ASN 43 N 0.67 -0.17 -0.80 0.41 -0.26 -1.17 0.34 115.58 114.60 2k3f h ASN 43 Ca 0.35 0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 56.06 2k3f h ASN 43 Cb 0.33 0.05 -0.04 0.00 -1.06 0.00 0.00 38.32 37.60 2k3f h ASN 43 CO -0.25 -0.12 0.34 0.00 -1.06 0.00 0.00 177.43 176.35 2k3f h ALA 44 N 0.68 1.04 -0.24 -0.83 0.00 -1.12 -1.49 119.26 117.29 2k3f h ALA 44 Ca -0.01 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2k3f h ALA 44 Cb 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2k3f h ALA 44 CO 0.02 0.65 -0.09 0.93 0.00 0.00 0.00 179.25 180.76 2k3f h GLU 45 N 1.15 0.49 -0.17 0.00 5.08 -0.08 -3.10 114.58 117.95 2k3f h GLU 45 Ca 0.27 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2k3f h GLU 45 Cb 0.19 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2k3f h GLU 45 CO -0.03 0.73 0.00 0.25 -1.00 0.00 0.00 179.01 178.97 2k3f n THR 46 N -4.53 0.21 -0.37 1.13 -2.24 0.12 -4.21 114.28 104.40 2k3f n THR 46 Ca -0.04 -0.28 0.30 0.00 -2.27 0.00 0.00 64.05 61.76 2k3f n THR 46 Cb 0.32 0.18 0.61 0.00 -2.10 0.00 0.00 70.33 69.34 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 3.77 2.62 0.20 6.98 0.00 -1.19 -0.54 119.26 131.10 2k3f h ALA 47 Ca 0.00 0.05 -0.31 0.00 0.00 0.00 0.00 54.91 54.64 2k3f h ALA 47 Cb 0.35 0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.26 2k3f h ALA 47 CO 0.00 -1.08 -1.38 0.38 0.00 0.00 0.00 179.25 177.17 2k3f h ASP 48 N 0.21 0.74 -0.43 0.00 2.03 -1.84 -3.24 116.42 113.89 2k3f h ASP 48 Ca 0.66 -0.77 0.00 0.00 -0.73 0.00 0.00 57.03 56.19 2k3f h ASP 48 Cb 2.03 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 40.30 2k3f h ASP 48 CO -0.25 1.60 0.00 0.29 -1.03 0.00 0.00 179.24 179.85 2k3f n LYS 49 N -3.68 3.58 -1.61 4.15 5.02 -0.32 -4.97 118.16 120.33 2k3f n LYS 49 Ca -0.14 -2.20 -0.48 0.00 -2.02 0.00 0.00 58.31 53.47 2k3f n LYS 49 Cb 1.07 -1.97 -0.04 0.00 -0.02 0.00 0.00 35.03 34.07 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 0.53 -0.18 0.00 7.82 0.00 -0.55 -3.22 120.51 124.90 2k3f n ALA 50 Ca 0.20 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.09 2k3f n ALA 50 Cb 0.86 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 2.17 1.29 2.80 0.00 0.00 0.64 -4.95 105.19 107.15 2k3f n GLY 51 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.04 0.34 -0.81 1.61 1.00 -1.20 -4.90 119.30 115.31 2k3f s MET 52 Ca 0.00 0.10 -0.25 0.00 0.00 0.00 0.00 55.69 55.54 2k3f s MET 52 Cb 0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 34.83 34.18 2k3f s MET 52 CO 0.00 -0.17 2.12 0.42 0.00 0.00 0.00 175.02 177.39 2k3f s ILE 53 N 1.26 3.26 0.18 2.53 -1.09 -1.26 0.15 121.20 126.23 2k3f s ILE 53 Ca -0.06 -0.17 -0.29 0.00 -2.23 0.00 0.00 60.65 57.90 2k3f s ILE 53 Cb -0.13 -3.60 -0.08 0.00 -1.58 0.00 0.00 42.46 37.07 2k3f s ILE 53 CO -0.02 -0.57 0.90 -0.76 -1.23 0.00 0.00 174.94 173.26 2k3f s LEU 54 N 11.70 4.58 -0.60 2.97 1.43 0.24 -4.75 118.68 134.25 2k3f s LEU 54 Ca 0.79 1.81 -0.28 0.00 -1.03 0.00 0.00 54.13 55.43 2k3f s LEU 54 Cb -0.10 -3.52 0.02 0.00 0.03 0.00 0.00 46.19 42.62 2k3f s LEU 54 CO 0.06 0.09 1.29 -2.84 0.23 0.00 0.00 176.35 175.18 2k3f s PRO 55 N -0.75 3.39 -0.04 1.29 0.02 -1.26 -0.87 135.00 136.77 2k3f s PRO 55 Ca 0.42 0.25 -0.03 0.00 0.02 0.00 0.00 61.00 61.65 2k3f s PRO 55 Cb -0.24 -4.08 -0.04 0.00 0.02 0.00 0.00 34.50 30.16 2k3f s PRO 55 CO 0.30 -1.85 0.15 0.54 -0.33 0.00 0.00 177.00 175.81 2k3f s VAL 56 N 5.48 5.29 -0.20 3.83 0.11 -1.09 -0.70 120.40 133.12 2k3f s VAL 56 Ca 0.45 -0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.40 2k3f s VAL 56 Cb -0.09 -3.41 0.02 0.00 -1.53 0.00 0.00 36.38 31.38 2k3f s VAL 56 CO 0.24 0.42 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.56 2k3f s VAL 57 N -1.21 2.17 -0.07 2.04 1.01 0.42 -1.52 120.40 123.25 2k3f s VAL 57 Ca 0.23 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 2k3f s VAL 57 Cb -0.12 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 2k3f s VAL 57 CO 0.13 0.45 0.05 -0.63 0.00 0.00 0.00 175.10 175.10 2k3f s ILE 58 N 1.28 4.65 -0.35 2.22 1.01 -0.41 -0.66 121.20 128.93 2k3f s ILE 58 Ca 0.03 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.50 2k3f s ILE 58 Cb -0.14 -3.01 0.11 0.00 0.01 0.00 0.00 42.46 39.42 2k3f s ILE 58 CO -0.11 0.55 0.11 -0.89 0.00 0.00 0.00 174.94 174.60 2k3f s THR 59 N -0.99 1.43 -0.02 2.92 2.01 0.49 0.33 115.64 121.81 2k3f s THR 59 Ca 0.16 -1.94 -0.18 0.00 0.31 0.00 0.00 61.69 60.04 2k3f s THR 59 Cb -0.12 -2.06 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 2k3f s THR 59 CO 0.05 -0.70 0.49 0.54 -0.69 0.00 0.00 174.62 174.32 2k3f s VAL 60 N 1.12 5.00 0.59 3.82 0.11 -0.67 -1.94 120.40 128.43 2k3f s VAL 60 Ca 0.12 1.02 0.00 0.00 -2.93 0.00 0.00 61.98 60.19 2k3f s VAL 60 Cb -0.19 -3.82 0.05 0.00 -1.53 0.00 0.00 36.38 30.89 2k3f s VAL 60 CO -0.15 0.47 0.83 -0.31 -3.33 0.00 0.00 175.10 172.60 2k3f s TYR 61 N -0.41 2.67 0.62 1.54 2.02 0.11 0.13 117.35 124.04 2k3f s TYR 61 Ca 0.27 -0.02 0.33 0.00 -0.37 0.00 0.00 57.07 57.28 2k3f s TYR 61 Cb -0.17 -2.82 1.92 0.00 -0.40 0.00 0.00 41.96 40.49 2k3f s TYR 61 CO 0.14 -1.04 2.21 0.93 -1.57 0.00 0.00 175.55 176.22 2k3f h GLU 62 N -0.07 0.00 -0.00 -0.62 5.08 -0.99 -1.25 114.58 116.73 2k3f h GLU 62 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 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 0.51 0.00 -0.04 -0.25 -1.00 0.00 0.00 179.01 178.23 2k3f n ASP 63 N -3.54 0.11 0.00 1.42 9.92 -1.26 -4.83 116.55 118.36 2k3f n ASP 63 Ca -0.01 -0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.12 2k3f n ASP 63 Cb 0.18 -0.26 0.00 0.00 -0.64 0.00 0.00 41.12 40.40 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 -1.27 0.00 -1.31 -1.24 5.02 -0.47 -5.05 118.16 113.85 2k3f n LYS 64 Ca 0.13 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.13 2k3f n LYS 64 Cb 0.27 -2.06 0.18 0.00 -0.02 0.00 0.00 35.03 33.40 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 -2.87 2.49 0.16 4.39 0.15 -1.25 -4.56 113.70 112.21 2k3f s SER 65 Ca 0.00 0.92 -0.16 0.00 0.70 0.00 0.00 55.95 57.42 2k3f s SER 65 Cb 0.00 -1.43 0.06 0.00 -1.71 0.00 0.00 66.02 62.94 2k3f s SER 65 CO 0.00 -3.18 0.76 2.22 1.20 0.00 0.00 173.24 174.24 2k3f n PHE 66 N -4.17 -1.26 -3.90 3.44 -1.74 -1.26 0.08 117.46 108.65 2k3f n PHE 66 Ca 0.08 -1.01 -0.08 0.00 -0.56 0.00 0.00 57.45 55.88 2k3f n PHE 66 Cb 0.59 0.50 -0.03 0.00 1.52 0.00 0.00 39.48 42.05 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 -2.20 0.00 -0.04 1.97 -4.23 -0.82 -4.93 115.64 105.40 2k3f s THR 67 Ca 0.17 -1.10 -0.29 0.00 -1.18 0.00 0.00 61.69 59.28 2k3f s THR 67 Cb -0.02 -2.05 0.09 0.00 1.34 0.00 0.00 72.50 71.86 2k3f s THR 67 CO 0.05 -0.00 0.81 0.72 -0.54 0.00 0.00 174.62 175.65 2k3f s PHE 68 N -3.95 -0.49 0.09 3.99 -0.71 -1.26 -0.38 117.98 115.28 2k3f s PHE 68 Ca 0.14 0.65 0.04 0.00 -1.04 0.00 0.00 56.93 56.72 2k3f s PHE 68 Cb -0.05 0.47 -0.03 0.00 -1.21 0.00 0.00 43.02 42.21 2k3f s PHE 68 CO 0.07 -0.56 -0.12 0.96 -1.34 0.00 0.00 175.22 174.24 2k3f s ILE 69 N -2.01 1.03 -0.15 -4.49 -4.36 0.16 -4.95 121.20 106.44 2k3f s ILE 69 Ca -0.03 -1.51 -0.04 0.00 -0.26 0.00 0.00 60.65 58.81 2k3f s ILE 69 Cb -0.01 -1.25 -0.03 0.00 1.25 0.00 0.00 42.46 42.43 2k3f s ILE 69 CO -0.00 -0.42 -0.01 -0.63 0.24 0.00 0.00 174.94 174.12 2k3f s ILE 70 N -1.96 4.18 -0.99 8.37 -1.09 -1.26 -0.43 121.20 128.02 2k3f s ILE 70 Ca 0.03 -0.26 -0.23 0.00 -2.23 0.00 0.00 60.65 57.95 2k3f s ILE 70 Cb -0.06 -2.83 0.03 0.00 -1.58 0.00 0.00 42.46 38.02 2k3f s ILE 70 CO 0.01 0.51 1.56 -0.54 -1.23 0.00 0.00 174.94 175.25 2k3f s LYS 71 N 0.14 3.35 0.43 2.79 -0.14 0.12 -4.81 119.74 121.61 2k3f s LYS 71 Ca 0.01 -0.92 0.09 0.00 -1.36 0.00 0.00 55.97 53.79 2k3f s LYS 71 Cb -0.13 -5.27 0.93 0.00 -1.68 0.00 0.00 37.83 31.68 2k3f s LYS 71 CO 0.02 -2.47 2.06 1.79 -0.76 0.00 0.00 175.35 175.99 2k3f h THR 72 N 6.89 1.09 -0.85 2.17 1.35 -1.95 -3.37 112.91 118.25 2k3f h THR 72 Ca 0.17 -0.23 0.13 0.00 -0.55 0.00 0.00 66.41 65.92 2k3f h THR 72 Cb 1.01 0.71 -0.06 0.00 -1.73 0.00 0.00 68.15 68.08 2k3f h THR 72 CO 1.38 0.10 0.55 1.55 -0.25 0.00 0.00 175.52 178.85 2k3f h PRO 73 N 0.39 0.66 -1.19 4.72 0.13 -1.87 -2.43 132.00 132.41 2k3f h PRO 73 Ca 0.10 -0.04 0.34 0.00 -0.87 0.00 0.00 66.00 65.54 2k3f h PRO 73 Cb 0.01 -0.15 -0.05 0.00 0.13 0.00 0.00 31.00 30.95 2k3f h PRO 73 CO -0.02 0.44 0.90 -1.35 -0.23 0.00 0.00 178.00 177.74 2k3f h PRO 74 N 0.68 0.00 0.00 1.56 0.11 -2.00 -3.44 132.00 128.90 2k3f h PRO 74 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 2k3f h PRO 74 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 2k3f h PRO 74 CO -0.17 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.62 2k3f n ALA 75 N -2.71 0.00 -0.39 -0.75 0.00 -0.92 -4.66 120.51 111.09 2k3f n ALA 75 Ca 0.26 0.00 0.31 0.00 0.00 0.00 0.00 53.44 54.01 2k3f n ALA 75 Cb 1.29 0.00 0.60 0.00 0.00 0.00 0.00 19.45 21.34 2k3f n ALA 75 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2k3f h SER 76 N 0.00 0.31 -0.22 0.00 4.64 -1.88 0.16 113.55 116.56 2k3f h SER 76 Ca 0.00 0.10 0.05 0.00 -0.47 0.00 0.00 61.79 61.47 2k3f h SER 76 Cb 0.00 0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 62.11 2k3f h SER 76 CO 0.00 -0.05 -0.07 -0.26 -0.87 0.00 0.00 176.83 175.57 2k3f h PHE 77 N 0.21 -0.17 0.00 4.77 -1.00 -1.93 -1.71 116.94 117.11 2k3f h PHE 77 Ca 0.71 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.51 2k3f h PHE 77 Cb 2.11 0.11 0.00 0.00 3.61 0.00 0.00 35.95 41.78 2k3f h PHE 77 CO -0.00 -0.12 -0.83 1.28 -1.61 0.00 0.00 178.31 177.02 2k3f n LEU 78 N -5.23 0.64 -0.17 1.54 4.32 0.41 -2.78 117.00 115.73 2k3f n LEU 78 Ca -0.02 -0.06 -0.01 0.00 -0.02 0.00 0.00 56.01 55.89 2k3f n LEU 78 Cb 0.15 -0.14 0.21 0.00 -1.62 0.00 0.00 43.42 42.03 2k3f n LEU 78 CO 0.22 0.09 1.09 -0.07 -1.22 0.00 0.00 177.39 177.50 2k3f h LEU 79 N 0.00 0.82 -0.74 2.23 -0.00 -0.92 -1.58 115.31 115.12 2k3f h LEU 79 Ca 0.00 -0.09 0.06 0.00 -0.00 0.00 0.00 57.88 57.85 2k3f h LEU 79 Cb 0.63 -0.21 -0.06 0.00 -0.00 0.00 0.00 40.66 41.02 2k3f h LEU 79 CO 0.00 0.71 0.43 0.50 -0.00 0.00 0.00 178.44 180.08 2k3f h LYS 80 N 0.90 0.76 -0.50 1.13 1.63 -1.13 0.77 116.57 120.13 2k3f h LYS 80 Ca 0.22 -0.05 0.07 0.00 -0.85 0.00 0.00 60.65 60.05 2k3f h LYS 80 Cb 0.12 -0.17 -0.06 0.00 -0.60 0.00 0.00 32.23 31.51 2k3f h LYS 80 CO -0.03 0.50 0.17 -0.22 -3.45 0.00 0.00 179.45 176.42 2k3f h LYS 81 N 0.78 0.33 -0.03 1.90 1.63 -1.23 0.96 116.57 120.91 2k3f h LYS 81 Ca 0.33 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.10 2k3f h LYS 81 Cb 0.20 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.75 2k3f h LYS 81 CO -0.18 0.22 -0.04 0.00 -3.45 0.00 0.00 179.45 175.99 2k3f h ALA 82 N 1.34 0.04 -0.07 5.00 0.00 -1.32 -3.35 119.26 120.91 2k3f h ALA 82 Ca 0.24 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2k3f h ALA 82 Cb 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2k3f h ALA 82 CO -0.26 -0.16 -0.19 0.00 0.00 0.00 0.00 179.25 178.64 2k3f h ALA 83 N 0.50 1.56 0.00 0.00 0.00 -0.49 -3.46 119.26 117.37 2k3f h ALA 83 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2k3f h ALA 83 Cb 0.57 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k3f h ALA 83 CO 0.01 0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.99 2k3f n GLY 84 N -0.86 2.76 0.36 0.00 0.00 0.30 -4.48 105.19 103.28 2k3f n GLY 84 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2k3f n GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2k3f n ILE 85 N 0.00 0.00 -0.99 -0.61 -5.35 -1.26 -4.27 119.36 106.89 2k3f n ILE 85 Ca 0.00 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.19 2k3f n ILE 85 Cb 0.00 -0.14 -0.02 0.00 -1.74 0.00 0.00 39.64 37.73 2k3f n ILE 85 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2k3f n GLU 86 N 0.08 2.78 0.00 6.28 2.13 -1.25 -2.26 120.64 128.40 2k3f n GLU 86 Ca 0.00 -1.78 0.00 0.00 0.66 0.00 0.00 57.16 56.04 2k3f n GLU 86 Cb 0.00 -2.60 0.00 0.00 0.27 0.00 0.00 31.44 29.11 2k3f n GLU 86 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2k3f n LYS 87 N 3.95 0.00 0.00 5.31 4.81 -1.26 -5.08 118.16 125.89 2k3f n LYS 87 Ca 0.59 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 2k3f n LYS 87 Cb 0.17 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.22 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 -0.70 1.70 1.88 3.14 0.00 -0.96 -5.08 105.19 105.17 2k3f n GLY 88 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2k3f n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k3f n SER 89 N 0.00 -7.53 -2.67 1.61 7.64 -1.26 -4.90 113.62 106.50 2k3f n SER 89 Ca 0.00 1.25 -0.04 0.00 1.01 0.00 0.00 58.87 61.09 2k3f n SER 89 Cb 0.00 -4.14 0.13 0.00 -1.01 0.00 0.00 64.21 59.19 2k3f n SER 89 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2k3f n SER 90 N 1.41 -1.62 0.00 6.43 2.88 -1.26 -4.93 113.62 116.53 2k3f n SER 90 Ca 0.00 -2.30 0.00 0.00 -1.33 0.00 0.00 58.87 55.24 2k3f n SER 90 Cb 0.00 0.80 0.00 0.00 -0.75 0.00 0.00 64.21 64.26 2k3f n SER 90 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k3f n GLU 91 N -1.21 0.00 -2.36 -1.46 1.02 -1.26 -5.05 120.64 110.33 2k3f n GLU 91 Ca -0.13 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.59 2k3f n GLU 91 Cb 0.87 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 32.26 2k3f n GLU 91 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 2k3f s PRO 92 N -2.00 3.46 1.53 3.49 0.02 -1.26 -4.84 135.00 135.39 2k3f s PRO 92 Ca 0.00 0.76 0.00 0.00 0.02 0.00 0.00 61.00 61.78 2k3f s PRO 92 Cb 0.00 -4.07 0.00 0.00 0.02 0.00 0.00 34.50 30.45 2k3f s PRO 92 CO 0.00 -1.72 0.00 1.63 -0.33 0.00 0.00 177.00 176.58 2k3f n LYS 93 N 8.30 -0.19 0.00 5.54 4.76 -1.26 -4.60 118.16 130.71 2k3f n LYS 93 Ca 0.15 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 2k3f n LYS 93 Cb 0.49 -0.23 0.00 0.00 -1.84 0.00 0.00 35.03 33.44 2k3f n LYS 93 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2k3f n ARG 94 N -1.52 0.00 0.17 1.97 0.63 -1.26 -4.75 116.66 111.90 2k3f n ARG 94 Ca 0.00 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.95 2k3f n ARG 94 Cb 0.04 0.00 0.36 0.00 0.45 0.00 0.00 32.46 33.31 2k3f n ARG 94 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 2k3f h LYS 95 N 0.00 0.07 0.00 -0.14 -0.00 -1.94 -3.25 116.57 111.30 2k3f h LYS 95 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.63 2k3f h LYS 95 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 2k3f h LYS 95 CO 0.00 0.39 0.00 0.44 -0.00 0.00 0.00 179.45 180.28 2k3f n ILE 96 N -4.14 0.01 0.00 0.07 -6.64 -1.26 -4.76 119.36 102.65 2k3f n ILE 96 Ca -0.02 -0.05 0.00 0.00 -1.77 0.00 0.00 62.75 60.92 2k3f n ILE 96 Cb 0.38 1.75 0.00 0.00 -1.44 0.00 0.00 39.64 40.33 2k3f n ILE 96 CO 0.00 0.00 0.00 0.55 -1.77 0.00 0.00 176.55 175.33 2k3f n VAL 97 N -0.01 0.00 -3.74 7.28 3.14 -1.23 -4.23 118.33 119.54 2k3f n VAL 97 Ca 0.00 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.28 2k3f n VAL 97 Cb 0.28 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.00 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 0.00 -0.06 0.18 7.55 0.00 -1.26 -4.48 107.32 109.24 2k3f s GLY 98 Ca 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 44.72 44.41 2k3f s GLY 98 CO 0.00 -0.44 0.11 -1.59 0.00 0.00 0.00 173.10 171.17 2k3f s LYS 99 N -3.85 1.12 0.00 2.90 0.00 -1.26 -3.31 119.74 115.33 2k3f s LYS 99 Ca 0.07 -1.57 0.00 0.00 0.00 0.00 0.00 55.97 54.47 2k3f s LYS 99 Cb 0.02 0.25 0.00 0.00 0.00 0.00 0.00 37.83 38.10 2k3f s LYS 99 CO -0.08 -0.35 0.00 1.33 0.00 0.00 0.00 175.35 176.26 2k3f n VAL 100 N -0.22 0.00 -3.50 1.79 0.24 -0.65 -4.77 118.33 111.23 2k3f n VAL 100 Ca -0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.18 2k3f n VAL 100 Cb 0.65 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.99 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 -0.30 0.00 0.33 3.34 -1.32 -1.26 0.10 115.64 116.53 2k3f s THR 101 Ca 0.00 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.58 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 1.60 -0.09 -2.21 0.00 0.00 174.62 173.92 2k3f h ARG 102 N 2.24 0.08 -0.60 7.08 1.12 -1.89 0.36 114.38 122.77 2k3f h ARG 102 Ca -0.25 -0.01 0.02 0.00 -1.11 0.00 0.00 59.98 58.63 2k3f h ARG 102 Cb 1.23 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 31.14 2k3f h ARG 102 CO 0.34 0.06 0.38 -0.22 -3.11 0.00 0.00 179.97 177.42 2k3f h LYS 103 N 0.09 0.74 0.17 0.20 1.63 -1.95 -1.35 116.57 116.10 2k3f h LYS 103 Ca 0.70 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.45 2k3f h LYS 103 Cb 1.63 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 33.10 2k3f h LYS 103 CO -0.78 0.49 -0.08 1.96 -3.45 0.00 0.00 179.45 177.59 2k3f h GLN 104 N 0.76 -0.22 -0.85 1.90 7.50 -0.73 -1.22 115.11 122.25 2k3f h GLN 104 Ca 0.23 0.02 0.14 0.00 0.50 0.00 0.00 58.65 59.54 2k3f h GLN 104 Cb -0.03 0.05 -0.14 0.00 0.05 0.00 0.00 27.48 27.41 2k3f h GLN 104 CO -0.08 -0.12 -0.31 -0.89 -1.50 0.00 0.00 178.83 175.94 2k3f n ILE 105 N -5.17 -0.43 0.10 2.54 2.08 -0.68 -2.09 119.36 115.70 2k3f n ILE 105 Ca -0.09 1.98 -0.16 0.00 0.56 0.00 0.00 62.75 65.04 2k3f n ILE 105 Cb 0.13 -2.64 -0.10 0.00 -0.75 0.00 0.00 39.64 36.29 2k3f n ILE 105 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 2k3f h GLU 106 N 0.00 -0.70 -0.28 0.38 4.81 -0.06 0.58 114.58 119.30 2k3f h GLU 106 Ca 0.32 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.64 2k3f h GLU 106 Cb 0.53 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 2k3f h GLU 106 CO -0.85 -0.46 0.02 0.93 -0.73 0.00 0.00 179.01 177.92 2k3f h GLU 107 N -0.72 0.11 -0.02 1.92 5.08 -1.03 0.50 114.58 120.42 2k3f h GLU 107 Ca -0.00 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2k3f h GLU 107 Cb 0.74 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 2k3f h GLU 107 CO -0.30 0.07 -0.38 0.82 -1.00 0.00 0.00 179.01 178.22 2k3f h ILE 108 N 0.11 0.20 -0.96 3.13 1.08 -1.18 0.24 117.51 120.14 2k3f h ILE 108 Ca 0.13 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.84 2k3f h ILE 108 Cb 0.17 0.20 -0.07 0.00 -3.07 0.00 0.00 36.82 34.04 2k3f h ILE 108 CO -0.21 0.00 0.63 0.00 -0.69 0.00 0.00 178.15 177.89 2k3f h ALA 109 N 0.09 2.26 0.03 1.87 0.00 0.18 -2.50 119.26 121.18 2k3f h ALA 109 Ca 0.06 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2k3f h ALA 109 Cb 0.62 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2k3f h ALA 109 CO -0.31 -0.58 -0.01 0.87 0.00 0.00 0.00 179.25 179.21 2k3f h LYS 110 N 0.39 -0.03 0.00 0.00 1.57 0.76 -1.54 116.57 117.72 2k3f h LYS 110 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 2k3f h LYS 110 Cb 1.33 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.65 2k3f h LYS 110 CO -0.21 0.69 0.12 0.00 -0.57 0.00 0.00 179.45 179.48 2k3f h THR 111 N -0.88 0.00 0.00 -0.16 1.03 -0.12 -0.94 112.91 111.84 2k3f h THR 111 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2k3f h THR 111 Cb 0.74 0.67 0.00 0.00 -1.07 0.00 0.00 68.15 68.48 2k3f h THR 111 CO 0.01 0.00 -0.27 2.29 -0.01 0.00 0.00 175.52 177.54 2k3f n LYS 112 N -2.64 0.58 -0.26 0.00 2.85 -1.04 -4.83 118.16 112.82 2k3f n LYS 112 Ca -0.02 -1.53 0.07 0.00 -1.05 0.00 0.00 58.31 55.78 2k3f n LYS 112 Cb 0.17 -0.87 0.20 0.00 -0.65 0.00 0.00 35.03 33.88 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 0.25 -0.15 -1.58 4.05 -0.08 -0.45 114.93 116.97 2k3f h MET 113 Ca 0.00 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.45 2k3f h MET 113 Cb 1.19 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.93 2k3f h MET 113 CO 0.00 0.16 0.24 -1.00 0.23 0.00 0.00 176.91 176.55 2k3f h PRO 114 N 0.25 0.00 0.01 0.39 0.13 -1.88 -2.93 132.00 127.99 2k3f h PRO 114 Ca 0.44 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 65.18 2k3f h PRO 114 Cb 0.77 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.84 2k3f h PRO 114 CO -0.54 0.00 -2.21 -0.25 -0.23 0.00 0.00 178.00 174.77 2k3f n ASP 115 N -3.48 1.96 -1.62 1.44 8.00 -0.28 -4.50 116.55 118.07 2k3f n ASP 115 Ca 0.01 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.74 2k3f n ASP 115 Cb 0.35 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 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 -3.96 0.91 -2.72 0.64 4.32 -0.62 -4.72 117.00 110.85 2k3f n LEU 116 Ca -0.46 -0.42 0.00 0.00 -0.02 0.00 0.00 56.01 55.12 2k3f n LEU 116 Cb 0.89 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 42.51 2k3f n LEU 116 CO 0.16 0.17 0.00 -3.20 -1.22 0.00 0.00 177.39 173.30 2k3f n ASN 117 N 1.59 0.00 -4.56 -1.43 4.05 -1.26 -4.73 115.26 108.93 2k3f n ASN 117 Ca 0.00 0.00 -0.36 0.00 0.45 0.00 0.00 54.58 54.67 2k3f n ASN 117 Cb 0.10 0.00 -0.11 0.00 1.23 0.00 0.00 39.78 41.00 2k3f n ASN 117 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k3f s ALA 118 N -3.47 3.37 0.30 5.20 0.00 -1.25 -4.94 121.76 120.96 2k3f s ALA 118 Ca 0.00 -0.99 0.05 0.00 0.00 0.00 0.00 51.96 51.02 2k3f s ALA 118 Cb 0.00 -2.17 0.46 0.00 0.00 0.00 0.00 23.12 21.42 2k3f s ALA 118 CO 0.00 -0.29 1.73 -0.97 0.00 0.00 0.00 175.76 176.23 2k3f h ASN 119 N 7.77 0.37 -4.46 0.00 -0.73 -1.93 -3.46 115.58 113.14 2k3f h ASN 119 Ca -0.37 -0.13 -0.14 0.00 1.87 0.00 0.00 56.30 57.53 2k3f h ASN 119 Cb 1.18 -0.10 -0.22 0.00 0.27 0.00 0.00 38.32 39.44 2k3f h ASN 119 CO 0.61 0.66 -0.34 -0.94 -0.37 0.00 0.00 177.43 177.06 2k3f s SER 120 N -6.84 -0.22 0.34 1.15 1.04 -1.26 -5.06 113.70 102.84 2k3f s SER 120 Ca -0.06 0.29 0.09 0.00 0.48 0.00 0.00 55.95 56.75 2k3f s SER 120 Cb 0.14 0.44 0.82 0.00 0.10 0.00 0.00 66.02 67.52 2k3f s SER 120 CO 0.78 -0.28 1.81 0.25 0.98 0.00 0.00 173.24 176.77 2k3f h LEU 121 N 4.74 0.69 -1.29 2.42 5.85 -1.95 0.33 115.31 126.10 2k3f h LEU 121 Ca -0.28 0.07 0.24 0.00 0.84 0.00 0.00 57.88 58.76 2k3f h LEU 121 Cb 1.18 -0.05 -0.10 0.00 0.37 0.00 0.00 40.66 42.07 2k3f h LEU 121 CO 0.36 0.27 0.64 -0.33 -0.34 0.00 0.00 178.44 179.04 2k3f h GLU 122 N 0.69 0.46 -0.12 1.25 4.39 -1.98 0.63 114.58 119.88 2k3f h GLU 122 Ca 0.54 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 60.19 2k3f h GLU 122 Cb 0.94 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2k3f h GLU 122 CO -0.31 0.30 -0.02 0.00 -1.16 0.00 0.00 179.01 177.83 2k3f h ALA 123 N 1.63 0.17 -0.18 3.43 0.00 -1.35 -2.81 119.26 120.14 2k3f h ALA 123 Ca 0.58 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.31 2k3f h ALA 123 Cb 1.34 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2k3f h ALA 123 CO -0.31 -0.10 0.13 0.00 0.00 0.00 0.00 179.25 178.96 2k3f h ALA 124 N 0.71 2.01 -0.90 0.00 0.00 -0.47 -1.15 119.26 119.46 2k3f h ALA 124 Ca 0.03 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2k3f h ALA 124 Cb 0.42 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 2k3f h ALA 124 CO 0.01 -0.05 0.59 0.52 0.00 0.00 0.00 179.25 180.32 2k3f h MET 125 N 0.13 1.05 0.15 0.00 2.07 0.31 -2.15 114.93 116.50 2k3f h MET 125 Ca 0.08 -0.06 -0.01 0.00 -2.07 0.00 0.00 59.70 57.64 2k3f h MET 125 Cb 0.16 -0.24 0.00 0.00 -1.87 0.00 0.00 31.60 29.65 2k3f h MET 125 CO -0.01 0.70 -0.07 0.87 1.07 0.00 0.00 176.91 179.46 2k3f h LYS 126 N 1.09 -0.20 0.17 1.72 6.56 -1.04 -1.13 116.57 123.75 2k3f h LYS 126 Ca 0.37 0.01 0.01 0.00 -1.06 0.00 0.00 60.65 59.99 2k3f h LYS 126 Cb 0.09 0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 31.75 2k3f h LYS 126 CO -0.12 0.07 -0.48 0.97 -2.06 0.00 0.00 179.45 177.83 2k3f h ILE 127 N -0.46 0.07 0.03 1.86 -0.00 -1.29 0.19 117.51 117.91 2k3f h ILE 127 Ca -0.02 0.00 0.02 0.00 -0.00 0.00 0.00 64.86 64.86 2k3f h ILE 127 Cb 0.36 0.07 -0.05 0.00 -0.00 0.00 0.00 36.82 37.20 2k3f h ILE 127 CO 0.03 0.00 -0.49 0.40 -0.00 0.00 0.00 178.15 178.09 2k3f h ILE 128 N -0.75 0.06 -0.77 2.19 1.08 -1.44 1.20 117.51 119.07 2k3f h ILE 128 Ca -0.00 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.60 2k3f h ILE 128 Cb 0.74 0.06 -0.09 0.00 -3.07 0.00 0.00 36.82 34.46 2k3f h ILE 128 CO -0.24 0.00 0.36 -0.33 -0.69 0.00 0.00 178.15 177.25 2k3f h GLU 129 N -0.66 0.54 -0.09 2.37 5.08 -1.13 0.19 114.58 120.87 2k3f h GLU 129 Ca 0.02 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2k3f h GLU 129 Cb 0.71 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2k3f h GLU 129 CO -0.33 0.36 -0.19 0.78 -1.00 0.00 0.00 179.01 178.63 2k3f h GLY 130 N 0.55 0.32 -0.25 -3.84 0.00 0.46 0.15 103.07 100.47 2k3f h GLY 130 Ca 0.41 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 47.39 2k3f h GLY 130 CO -0.35 0.34 -0.42 -0.84 0.00 0.00 0.00 176.54 175.28 2k3f h THR 131 N -0.16 0.00 -0.53 4.70 2.02 0.19 0.26 112.91 119.39 2k3f h THR 131 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 2k3f h THR 131 Cb 0.78 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.10 2k3f h THR 131 CO 0.04 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.92 2k3f h ALA 132 N -0.41 0.49 -0.45 6.16 0.00 -0.64 -0.13 119.26 124.28 2k3f h ALA 132 Ca 0.05 0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.20 2k3f h ALA 132 Cb 0.47 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.45 2k3f h ALA 132 CO -0.42 -0.39 -0.36 -0.22 0.00 0.00 0.00 179.25 177.86 2k3f h LYS 133 N 0.10 -0.24 0.00 0.00 3.64 0.18 0.14 116.57 120.39 2k3f h LYS 133 Ca 0.27 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.61 2k3f h LYS 133 Cb 0.41 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2k3f h LYS 133 CO -0.46 -0.16 -0.25 0.77 -2.27 0.00 0.00 179.45 177.08 2k3f h SER 134 N -0.25 0.00 0.21 4.20 0.02 0.06 -2.33 113.55 115.46 2k3f h SER 134 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2k3f h SER 134 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2k3f h SER 134 CO -0.58 0.25 -0.01 0.23 -1.14 0.00 0.00 176.83 175.58 2k3f n MET 135 N -4.03 0.84 -2.17 3.45 2.81 0.29 -4.92 117.12 113.39 2k3f n MET 135 Ca -0.02 -0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 2k3f n MET 135 Cb 0.32 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 1.13 0.72 3.19 3.03 0.00 -0.20 -5.03 105.19 108.04 2k3f n GLY 136 Ca 0.20 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.94 2.08 0.21 -0.61 -1.09 0.03 -4.04 121.20 114.85 2k3f s ILE 137 Ca 0.00 -0.99 -0.17 0.00 -2.23 0.00 0.00 60.65 57.27 2k3f s ILE 137 Cb 0.00 -1.81 -0.08 0.00 -1.58 0.00 0.00 42.46 38.99 2k3f s ILE 137 CO 0.00 0.55 0.66 -0.70 -1.23 0.00 0.00 174.94 174.22 2k3f s GLU 138 N 0.61 4.10 -0.10 2.79 2.12 -1.21 -3.97 118.70 123.05 2k3f s GLU 138 Ca -0.12 0.68 0.01 0.00 0.36 0.00 0.00 54.97 55.90 2k3f s GLU 138 Cb -0.17 -2.82 -0.02 0.00 0.26 0.00 0.00 34.13 31.39 2k3f s GLU 138 CO 0.03 0.38 -0.12 0.14 -0.54 0.00 0.00 175.26 175.15 2k3f s VAL 139 N -1.59 3.17 -0.53 3.70 -7.23 -1.26 -1.64 120.40 115.02 2k3f s VAL 139 Ca 0.43 -0.65 0.06 0.00 -1.81 0.00 0.00 61.98 60.02 2k3f s VAL 139 Cb -0.15 -2.30 0.23 0.00 0.56 0.00 0.00 36.38 34.73 2k3f s VAL 139 CO 0.20 0.55 0.59 1.33 -0.31 0.00 0.00 175.10 177.46 2k3f n VAL 140 N 2.95 0.75 0.00 1.32 0.24 0.28 -4.86 118.33 119.01 2k3f n VAL 140 Ca -0.18 -4.54 0.00 0.00 -2.04 0.00 0.00 64.34 57.59 2k3f n VAL 140 Cb 0.53 -2.01 0.00 0.00 -1.47 0.00 0.00 33.84 30.89 2k3f n VAL 140 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02