#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 0.00 -2.55 -5.12 0.00 -1.26 -5.17 120.51 106.41 2k3f n ALA 2 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2k3f n ALA 2 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.28 3.16 -0.34 0.00 1.02 -1.26 -5.08 119.74 115.96 2k3f s LYS 3 Ca 0.00 -0.98 -0.13 0.00 0.02 0.00 0.00 55.97 54.89 2k3f s LYS 3 Cb 0.00 -2.82 -0.02 0.00 -0.52 0.00 0.00 37.83 34.47 2k3f s LYS 3 CO 0.00 0.13 0.23 0.15 -0.92 0.00 0.00 175.35 174.94 2k3f s LYS 4 N -4.14 3.47 0.30 1.68 -0.14 -1.26 -5.05 119.74 114.60 2k3f s LYS 4 Ca 0.43 -0.66 -0.29 0.00 -1.36 0.00 0.00 55.97 54.09 2k3f s LYS 4 Cb -0.09 -3.79 -0.10 0.00 -1.68 0.00 0.00 37.83 32.17 2k3f s LYS 4 CO 0.31 -0.45 1.34 0.08 -0.76 0.00 0.00 175.35 175.87 2k3f s VAL 5 N 1.71 2.76 -0.15 3.17 1.01 -1.26 0.21 120.40 127.85 2k3f s VAL 5 Ca 0.06 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.76 2k3f s VAL 5 Cb -0.17 -3.45 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 2k3f s VAL 5 CO 0.10 0.15 -0.13 0.00 0.00 0.00 0.00 175.10 175.22 2k3f n ALA 6 N 1.38 1.72 -3.41 5.51 0.00 0.31 -4.50 120.51 121.52 2k3f n ALA 6 Ca 0.02 -0.62 -0.16 0.00 0.00 0.00 0.00 53.44 52.69 2k3f n ALA 6 Cb 0.42 0.18 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.29 -1.44 -0.10 0.00 0.00 -0.29 -5.00 121.76 112.65 2k3f s ALA 7 Ca -0.20 0.93 -0.14 0.00 0.00 0.00 0.00 51.96 52.55 2k3f s ALA 7 Cb 0.05 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 2k3f s ALA 7 CO 0.33 -0.37 0.33 -0.65 0.00 0.00 0.00 175.76 175.39 2k3f s GLN 8 N -1.49 4.04 -0.68 0.00 -1.52 -1.26 -0.22 119.66 118.53 2k3f s GLN 8 Ca -0.10 0.21 0.05 0.00 -1.95 0.00 0.00 55.36 53.56 2k3f s GLN 8 Cb -0.01 -3.33 0.16 0.00 -0.22 0.00 0.00 33.01 29.61 2k3f s GLN 8 CO 0.06 0.45 0.46 0.42 -0.25 0.00 0.00 175.29 176.43 2k3f s ILE 9 N -0.22 2.86 -0.07 1.08 -1.09 0.22 -4.93 121.20 119.05 2k3f s ILE 9 Ca 0.20 -4.13 -0.30 0.00 -2.23 0.00 0.00 60.65 54.18 2k3f s ILE 9 Cb -0.14 -2.89 -0.02 0.00 -1.58 0.00 0.00 42.46 37.82 2k3f s ILE 9 CO 0.08 -0.97 1.04 -0.54 -1.23 0.00 0.00 174.94 173.31 2k3f s LYS 10 N -1.28 4.44 -0.25 2.79 1.02 -1.26 -1.31 119.74 123.89 2k3f s LYS 10 Ca 0.24 1.46 -0.13 0.00 0.02 0.00 0.00 55.97 57.55 2k3f s LYS 10 Cb -0.08 -3.52 0.08 0.00 -0.52 0.00 0.00 37.83 33.79 2k3f s LYS 10 CO -0.14 -0.27 0.60 -0.48 -0.92 0.00 0.00 175.35 174.14 2k3f s LEU 11 N 1.77 -0.73 -0.26 3.17 0.05 -0.32 -4.97 118.68 117.39 2k3f s LEU 11 Ca 0.51 1.34 -0.26 0.00 0.05 0.00 0.00 54.13 55.76 2k3f s LEU 11 Cb -0.20 2.06 0.00 0.00 -2.05 0.00 0.00 46.19 46.00 2k3f s LEU 11 CO 0.21 -0.23 0.92 -1.10 -0.55 0.00 0.00 176.35 175.61 2k3f s GLN 12 N 1.75 4.16 -0.01 1.48 -0.21 -1.26 -2.08 119.66 123.48 2k3f s GLN 12 Ca -0.09 1.03 0.01 0.00 0.02 0.00 0.00 55.36 56.33 2k3f s GLN 12 Cb -0.07 -3.67 0.00 0.00 1.00 0.00 0.00 33.01 30.28 2k3f s GLN 12 CO -0.18 -0.63 -0.02 -0.51 -2.12 0.00 0.00 175.29 171.83 2k3f s LEU 13 N 3.08 1.83 0.02 2.90 1.43 0.33 -4.86 118.68 123.41 2k3f s LEU 13 Ca 0.39 -0.05 -0.33 0.00 -1.03 0.00 0.00 54.13 53.10 2k3f s LEU 13 Cb -0.15 -0.17 -0.12 0.00 0.03 0.00 0.00 46.19 45.79 2k3f s LEU 13 CO 0.09 0.01 1.79 -2.65 0.23 0.00 0.00 176.35 175.81 2k3f n PRO 14 N 3.25 2.29 -1.79 1.29 -0.02 -1.23 0.81 135.00 139.59 2k3f n PRO 14 Ca -0.16 0.84 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 2k3f n PRO 14 Cb 0.57 -2.67 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 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 2.96 3.79 0.00 3.55 0.00 0.40 -0.45 121.76 132.00 2k3f s ALA 15 Ca 0.87 1.42 0.00 0.00 0.00 0.00 0.00 51.96 54.25 2k3f s ALA 15 Cb -0.65 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 18.76 2k3f s ALA 15 CO 0.45 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.55 2k3f n GLY 16 N 4.06 1.65 2.61 0.00 0.00 -1.24 -0.57 105.19 111.70 2k3f n GLY 16 Ca 0.16 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 -0.26 0.26 -0.29 1.61 -0.14 0.40 -4.96 119.74 116.37 2k3f s LYS 17 Ca 0.00 -0.42 -0.19 0.00 -1.36 0.00 0.00 55.97 54.00 2k3f s LYS 17 Cb 0.00 -1.59 0.13 0.00 -1.68 0.00 0.00 37.83 34.69 2k3f s LYS 17 CO 0.00 -0.85 0.96 0.00 -0.76 0.00 0.00 175.35 174.70 2k3f s ALA 18 N 2.03 -2.13 0.00 5.17 0.00 -1.26 -3.62 121.76 121.95 2k3f s ALA 18 Ca 0.05 2.12 0.00 0.00 0.00 0.00 0.00 51.96 54.14 2k3f s ALA 18 Cb -0.16 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.37 2k3f s ALA 18 CO -0.23 -0.32 0.00 -2.37 0.00 0.00 0.00 175.76 172.85 2k3f n THR 19 N 3.29 0.00 -3.93 0.00 5.66 -1.26 -4.63 114.28 113.41 2k3f n THR 19 Ca -0.17 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.48 2k3f n THR 19 Cb 0.57 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.24 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 -1.07 3.76 0.00 1.09 0.04 -1.26 -4.69 135.00 132.87 2k3f s PRO 20 Ca 0.00 -0.44 0.00 0.00 0.04 0.00 0.00 61.00 60.60 2k3f s PRO 20 Cb 0.00 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.30 2k3f s PRO 20 CO 0.00 0.01 0.00 0.00 0.04 0.00 0.00 177.00 177.05 2k3f n ALA 21 N 4.31 0.00 -0.18 8.56 0.00 -1.26 -3.57 120.51 128.37 2k3f n ALA 21 Ca -0.16 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.25 2k3f n ALA 21 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.06 0.00 -0.02 -1.26 0.18 135.00 133.69 2k3f n PRO 22 Ca 0.00 0.67 -0.08 0.00 -2.02 0.00 0.00 63.50 62.07 2k3f n PRO 22 Cb 0.00 -0.98 -0.06 0.00 -0.02 0.00 0.00 33.50 32.43 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 -2.00 -3.43 132.00 127.20 2k3f h PRO 23 Ca 0.11 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 2k3f h PRO 23 Cb 0.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 2k3f h PRO 23 CO -0.42 0.49 -0.11 0.28 -0.21 0.00 0.00 178.00 178.03 2k3f h VAL 24 N -1.00 1.28 0.00 3.15 2.07 -0.56 -3.25 116.25 117.94 2k3f h VAL 24 Ca -0.02 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.49 2k3f h VAL 24 Cb 0.55 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 2k3f h VAL 24 CO -0.01 0.44 0.00 0.61 0.02 0.00 0.00 177.57 178.62 2k3f n GLY 25 N 1.63 -3.08 0.31 2.17 0.00 0.49 -0.62 105.19 106.10 2k3f n GLY 25 Ca -0.09 0.40 0.14 0.00 0.00 0.00 0.00 46.02 46.47 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 0.33 0.00 1.61 0.11 -1.78 1.00 132.00 133.27 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 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.04 2k3f h PRO 26 CO 0.00 0.22 0.00 0.00 -0.21 0.00 0.00 178.00 178.01 2k3f n ALA 27 N -2.53 -0.00 -0.05 -0.75 0.00 -0.97 -2.63 120.51 113.57 2k3f n ALA 27 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.55 2k3f n ALA 27 Cb 0.70 0.10 -0.06 0.00 0.00 0.00 0.00 19.45 20.19 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 0.30 -1.28 0.00 3.38 -0.72 -3.31 115.31 113.68 2k3f h LEU 28 Ca 0.00 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.60 2k3f h LEU 28 Cb 0.00 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2k3f h LEU 28 CO 0.00 0.61 0.49 1.23 0.09 0.00 0.00 178.44 180.86 2k3f h GLY 29 N -0.01 1.04 2.00 0.83 0.00 0.90 0.19 103.07 108.02 2k3f h GLY 29 Ca 0.04 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 2k3f h GLY 29 CO 0.02 0.37 -0.02 -1.61 0.00 0.00 0.00 176.54 175.29 2k3f h GLN 30 N 0.98 0.00 -0.64 4.80 -0.00 -1.55 0.20 115.11 118.91 2k3f h GLN 30 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.92 2k3f h GLN 30 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.39 2k3f h GLN 30 CO -0.06 0.02 0.00 0.72 0.00 0.00 0.00 178.83 179.50 2k3f n HIS 31 N -4.04 1.73 -0.91 3.99 8.25 0.62 -4.90 115.22 119.95 2k3f n HIS 31 Ca -0.03 -0.65 0.00 0.00 -0.26 0.00 0.00 57.72 56.78 2k3f n HIS 31 Cb 0.10 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 30.87 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 0.98 0.58 3.81 -1.41 0.00 0.71 -4.92 105.19 104.94 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 -2.14 4.40 -0.69 1.61 1.01 -0.79 -4.94 120.40 118.85 2k3f s VAL 33 Ca 0.00 1.50 -0.26 0.00 0.00 0.00 0.00 61.98 63.22 2k3f s VAL 33 Cb 0.00 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 2k3f s VAL 33 CO 0.00 -0.05 1.93 0.20 0.00 0.00 0.00 175.10 177.17 2k3f s ASN 34 N -1.91 5.15 0.32 3.32 0.01 -1.26 -4.16 114.94 116.41 2k3f s ASN 34 Ca 0.54 0.08 0.04 0.00 -0.71 0.00 0.00 52.86 52.81 2k3f s ASN 34 Cb -0.14 -2.54 0.64 0.00 0.41 0.00 0.00 41.25 39.63 2k3f s ASN 34 CO 0.19 -2.55 1.88 0.40 -1.51 0.00 0.00 177.10 175.51 2k3f h ILE 35 N 7.06 0.95 -0.18 0.60 1.08 -1.93 0.16 117.51 125.24 2k3f h ILE 35 Ca -0.15 -0.31 -0.03 0.00 -0.39 0.00 0.00 64.86 63.98 2k3f h ILE 35 Cb 1.12 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 2k3f h ILE 35 CO 1.21 0.16 -0.01 0.00 -0.69 0.00 0.00 178.15 178.82 2k3f h MET 36 N 0.89 0.33 -0.65 2.37 -0.00 -1.88 0.54 114.93 116.53 2k3f h MET 36 Ca 0.44 -0.11 0.03 0.00 -0.00 0.00 0.00 59.70 60.05 2k3f h MET 36 Cb 0.46 -0.03 -0.04 0.00 -0.00 0.00 0.00 31.60 31.99 2k3f h MET 36 CO -0.20 0.55 0.41 0.93 -0.00 0.00 0.00 176.91 178.61 2k3f h GLU 37 N 0.07 0.78 0.25 -0.10 5.08 -1.79 0.55 114.58 119.42 2k3f h GLU 37 Ca 0.05 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2k3f h GLU 37 Cb 0.42 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2k3f h GLU 37 CO 0.01 0.52 -0.37 0.35 -1.00 0.00 0.00 179.01 178.52 2k3f h PHE 38 N 0.81 -1.02 -0.01 4.33 3.57 -0.46 -1.22 116.94 122.93 2k3f h PHE 38 Ca 0.26 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.80 2k3f h PHE 38 Cb 0.00 0.42 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 2k3f h PHE 38 CO -0.05 -0.50 -0.16 0.00 -2.23 0.00 0.00 178.31 175.38 2k3f h LYS 40 N -0.26 0.00 0.06 0.00 3.64 0.13 0.14 116.57 120.28 2k3f h LYS 40 Ca 0.06 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2k3f h LYS 40 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2k3f h LYS 40 CO -0.16 0.05 -0.03 0.00 -2.27 0.00 0.00 179.45 177.03 2k3f h ARG 41 N 0.00 -0.08 -0.67 1.90 3.08 -0.15 -3.14 114.38 115.32 2k3f h ARG 41 Ca -0.00 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.14 2k3f h ARG 41 Cb 0.33 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.33 2k3f h ARG 41 CO 0.01 -0.05 0.33 0.35 -1.07 0.00 0.00 179.97 179.54 2k3f h PHE 42 N -0.67 0.60 -0.07 3.04 3.57 0.69 0.34 116.94 124.44 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 0.06 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.63 2k3f h PHE 42 CO 0.01 0.23 0.05 -0.91 -2.23 0.00 0.00 178.31 175.45 2k3f h ASN 43 N 0.58 0.09 -0.79 0.41 -0.26 -1.17 0.43 115.58 114.87 2k3f h ASN 43 Ca 0.32 -0.03 -0.04 0.00 -0.56 0.00 0.00 56.30 55.99 2k3f h ASN 43 Cb 0.32 -0.02 -0.04 0.00 -1.06 0.00 0.00 38.32 37.52 2k3f h ASN 43 CO -0.25 0.09 0.32 0.00 -1.06 0.00 0.00 177.43 176.53 2k3f h ALA 44 N 1.00 1.03 -0.44 -0.83 0.00 -1.10 -0.63 119.26 118.29 2k3f h ALA 44 Ca 0.03 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2k3f h ALA 44 Cb 0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2k3f h ALA 44 CO -0.01 0.65 0.06 0.93 0.00 0.00 0.00 179.25 180.88 2k3f h GLU 45 N 1.15 0.74 -0.23 0.00 4.39 0.13 -3.08 114.58 117.69 2k3f h GLU 45 Ca 0.27 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2k3f h GLU 45 Cb 0.21 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2k3f h GLU 45 CO -0.02 0.78 0.00 0.25 -1.16 0.00 0.00 179.01 178.86 2k3f n THR 46 N -4.46 0.29 -0.35 1.13 -2.24 0.15 -4.29 114.28 104.51 2k3f n THR 46 Ca 0.00 -0.46 0.25 0.00 -2.27 0.00 0.00 64.05 61.57 2k3f n THR 46 Cb 0.26 0.55 0.52 0.00 -2.10 0.00 0.00 70.33 69.56 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 4.17 2.27 0.23 6.98 0.00 -1.02 -0.24 119.26 131.65 2k3f h ALA 47 Ca 0.00 0.09 -0.32 0.00 0.00 0.00 0.00 54.91 54.68 2k3f h ALA 47 Cb 0.63 0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.52 2k3f h ALA 47 CO 0.00 -0.75 -1.46 0.38 0.00 0.00 0.00 179.25 177.42 2k3f h ASP 48 N 0.34 0.75 -0.36 0.00 2.03 -1.83 -3.27 116.42 114.07 2k3f h ASP 48 Ca 0.66 -0.93 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 2k3f h ASP 48 Cb 1.71 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 39.97 2k3f h ASP 48 CO -0.36 1.69 0.00 0.29 -1.03 0.00 0.00 179.24 179.83 2k3f n LYS 49 N -3.75 3.18 -1.57 4.15 5.02 -0.64 -4.96 118.16 119.59 2k3f n LYS 49 Ca -0.19 -1.87 -0.39 0.00 -2.02 0.00 0.00 58.31 53.85 2k3f n LYS 49 Cb 1.06 -1.88 0.03 0.00 -0.02 0.00 0.00 35.03 34.23 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 0.44 -0.23 -0.23 7.82 0.00 -0.20 -3.61 120.51 124.51 2k3f n ALA 50 Ca 0.17 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2k3f n ALA 50 Cb 0.76 -2.01 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 1.40 0.86 2.78 0.00 0.00 0.26 -4.94 105.19 105.56 2k3f n GLY 51 Ca 0.12 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.49 0.21 -0.80 1.61 1.00 -1.24 -4.89 119.30 114.70 2k3f s MET 52 Ca 0.00 0.14 -0.25 0.00 0.00 0.00 0.00 55.69 55.58 2k3f s MET 52 Cb 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 34.83 34.27 2k3f s MET 52 CO 0.00 -0.18 2.16 0.42 0.00 0.00 0.00 175.02 177.42 2k3f s ILE 53 N 1.27 3.23 -0.03 2.53 -1.09 -1.26 0.15 121.20 126.00 2k3f s ILE 53 Ca -0.06 -0.15 -0.25 0.00 -2.23 0.00 0.00 60.65 57.96 2k3f s ILE 53 Cb -0.13 -3.53 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 2k3f s ILE 53 CO -0.02 -0.50 0.78 -0.76 -1.23 0.00 0.00 174.94 173.20 2k3f s LEU 54 N 12.04 4.35 -0.48 2.97 1.43 0.24 -4.75 118.68 134.48 2k3f s LEU 54 Ca 0.81 1.35 -0.28 0.00 -1.03 0.00 0.00 54.13 54.98 2k3f s LEU 54 Cb -0.10 -3.23 -0.01 0.00 0.03 0.00 0.00 46.19 42.88 2k3f s LEU 54 CO 0.07 -0.13 1.65 -2.84 0.23 0.00 0.00 176.35 175.33 2k3f s PRO 55 N 0.73 3.17 -0.02 1.29 0.02 -1.26 -0.51 135.00 138.41 2k3f s PRO 55 Ca 0.41 0.87 -0.08 0.00 0.02 0.00 0.00 61.00 62.22 2k3f s PRO 55 Cb -0.19 -4.20 -0.05 0.00 0.02 0.00 0.00 34.50 30.08 2k3f s PRO 55 CO 0.21 -2.07 0.27 0.54 -0.33 0.00 0.00 177.00 175.62 2k3f s VAL 56 N 7.04 5.29 -0.25 3.83 0.11 -0.88 -1.04 120.40 134.51 2k3f s VAL 56 Ca 0.66 0.30 0.02 0.00 -2.93 0.00 0.00 61.98 60.04 2k3f s VAL 56 Cb -0.15 -3.56 0.05 0.00 -1.53 0.00 0.00 36.38 31.19 2k3f s VAL 56 CO 0.28 0.46 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.69 2k3f s VAL 57 N -1.21 2.20 -0.10 2.04 1.01 -0.59 -1.17 120.40 122.57 2k3f s VAL 57 Ca 0.24 -1.50 -0.03 0.00 0.00 0.00 0.00 61.98 60.70 2k3f s VAL 57 Cb -0.14 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 2k3f s VAL 57 CO 0.13 0.07 0.02 -0.63 0.00 0.00 0.00 175.10 174.69 2k3f s ILE 58 N 1.14 4.50 -0.38 2.22 1.01 -0.43 -0.26 121.20 129.01 2k3f s ILE 58 Ca -0.06 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.44 2k3f s ILE 58 Cb -0.19 -2.91 0.11 0.00 0.01 0.00 0.00 42.46 39.48 2k3f s ILE 58 CO -0.06 0.60 0.11 -0.89 0.00 0.00 0.00 174.94 174.70 2k3f s THR 59 N -0.81 1.98 0.07 2.92 2.01 0.83 0.69 115.64 123.33 2k3f s THR 59 Ca 0.13 -2.35 -0.23 0.00 0.31 0.00 0.00 61.69 59.54 2k3f s THR 59 Cb -0.12 -2.44 -0.06 0.00 0.01 0.00 0.00 72.50 69.89 2k3f s THR 59 CO 0.02 -0.68 0.68 0.54 -0.69 0.00 0.00 174.62 174.50 2k3f s VAL 60 N 0.78 4.68 0.54 3.82 0.11 0.69 -2.30 120.40 128.72 2k3f s VAL 60 Ca 0.12 1.46 0.04 0.00 -2.93 0.00 0.00 61.98 60.67 2k3f s VAL 60 Cb -0.20 -4.02 0.05 0.00 -1.53 0.00 0.00 36.38 30.67 2k3f s VAL 60 CO -0.09 0.46 0.75 -0.31 -3.33 0.00 0.00 175.10 172.58 2k3f s TYR 61 N -0.62 2.49 0.61 1.54 2.02 0.12 0.11 117.35 123.62 2k3f s TYR 61 Ca 0.34 -0.25 0.36 0.00 -0.37 0.00 0.00 57.07 57.15 2k3f s TYR 61 Cb -0.20 -2.62 2.06 0.00 -0.40 0.00 0.00 41.96 40.80 2k3f s TYR 61 CO 0.21 -0.90 2.30 0.93 -1.57 0.00 0.00 175.55 176.52 2k3f h GLU 62 N 0.16 0.00 0.00 -0.62 5.08 -0.47 -0.71 114.58 118.02 2k3f h GLU 62 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2k3f h GLU 62 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2k3f h GLU 62 CO 0.47 0.01 0.00 -0.25 -1.00 0.00 0.00 179.01 178.24 2k3f n ASP 63 N -3.51 0.08 0.00 1.42 8.00 -1.26 -4.82 116.55 116.46 2k3f n ASP 63 Ca -0.03 0.51 0.00 0.00 0.71 0.00 0.00 54.79 55.98 2k3f n ASP 63 Cb 0.09 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 2k3f n ASP 63 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2k3f n LYS 64 N -1.57 0.00 -1.44 -1.24 5.02 -0.27 -5.05 118.16 113.61 2k3f n LYS 64 Ca 0.06 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.06 2k3f n LYS 64 Cb 0.31 -2.12 0.17 0.00 -0.02 0.00 0.00 35.03 33.37 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 -2.75 2.86 0.14 4.39 0.15 -1.25 -4.54 113.70 112.70 2k3f s SER 65 Ca 0.00 0.87 -0.20 0.00 0.70 0.00 0.00 55.95 57.32 2k3f s SER 65 Cb 0.00 -1.35 0.07 0.00 -1.71 0.00 0.00 66.02 63.03 2k3f s SER 65 CO 0.00 -2.95 0.95 2.22 1.20 0.00 0.00 173.24 174.67 2k3f n PHE 66 N -4.01 -1.14 -3.81 3.44 -1.74 -1.26 0.13 117.46 109.07 2k3f n PHE 66 Ca 0.08 -1.06 -0.06 0.00 -0.56 0.00 0.00 57.45 55.84 2k3f n PHE 66 Cb 0.59 0.52 -0.02 0.00 1.52 0.00 0.00 39.48 42.09 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 -2.10 0.00 0.09 1.97 -4.23 -0.97 -4.95 115.64 105.45 2k3f s THR 67 Ca 0.21 -0.85 -0.25 0.00 -1.18 0.00 0.00 61.69 59.62 2k3f s THR 67 Cb -0.02 -1.94 0.08 0.00 1.34 0.00 0.00 72.50 71.96 2k3f s THR 67 CO 0.04 0.00 0.70 0.72 -0.54 0.00 0.00 174.62 175.55 2k3f s PHE 68 N -3.73 -0.48 0.37 3.99 -0.71 -1.26 -0.12 117.98 116.03 2k3f s PHE 68 Ca 0.11 0.34 0.09 0.00 -1.04 0.00 0.00 56.93 56.42 2k3f s PHE 68 Cb -0.04 0.54 -0.07 0.00 -1.21 0.00 0.00 43.02 42.24 2k3f s PHE 68 CO 0.05 -0.73 -0.05 0.42 -1.34 0.00 0.00 175.22 173.57 2k3f s ILE 69 N -3.36 2.19 -0.12 -4.49 1.01 0.64 -4.93 121.20 112.13 2k3f s ILE 69 Ca 0.02 -2.12 0.01 0.00 0.00 0.00 0.00 60.65 58.56 2k3f s ILE 69 Cb -0.01 -2.78 0.02 0.00 0.01 0.00 0.00 42.46 39.70 2k3f s ILE 69 CO -0.10 -0.13 -0.12 -0.63 0.00 0.00 0.00 174.94 173.95 2k3f s ILE 70 N -2.64 1.37 -0.79 2.92 -1.09 -1.26 -1.55 121.20 118.16 2k3f s ILE 70 Ca 0.34 -0.53 -0.26 0.00 -2.23 0.00 0.00 60.65 57.97 2k3f s ILE 70 Cb 0.05 -1.29 0.01 0.00 -1.58 0.00 0.00 42.46 39.65 2k3f s ILE 70 CO 0.17 0.42 1.52 -0.54 -1.23 0.00 0.00 174.94 175.28 2k3f s LYS 71 N 1.36 3.08 0.39 2.79 -0.14 -0.20 -4.82 119.74 122.19 2k3f s LYS 71 Ca 0.00 -0.24 0.06 0.00 -1.36 0.00 0.00 55.97 54.43 2k3f s LYS 71 Cb -0.13 -4.57 0.78 0.00 -1.68 0.00 0.00 37.83 32.22 2k3f s LYS 71 CO -0.07 -2.42 2.03 0.00 -0.76 0.00 0.00 175.35 174.13 2k3f h THR 72 N 6.52 1.10 -0.98 2.17 1.03 -1.89 -3.37 112.91 117.48 2k3f h THR 72 Ca -0.13 -0.23 0.26 0.00 -0.01 0.00 0.00 66.41 66.29 2k3f h THR 72 Cb 1.06 0.37 -0.18 0.00 -1.07 0.00 0.00 68.15 68.32 2k3f h THR 72 CO 1.29 0.12 -0.02 -0.81 -0.01 0.00 0.00 175.52 176.09 2k3f n PRO 73 N -4.46 -0.08 -1.64 0.00 -0.04 -1.26 -3.91 135.00 123.60 2k3f n PRO 73 Ca 0.06 1.48 -0.15 0.00 -0.04 0.00 0.00 63.50 64.85 2k3f n PRO 73 Cb 0.09 -2.34 -0.07 0.00 -0.04 0.00 0.00 33.50 31.14 2k3f n PRO 73 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2k3f s PRO 74 N -6.02 1.67 0.48 0.54 0.02 -1.26 -4.72 135.00 125.71 2k3f s PRO 74 Ca -0.13 0.24 0.33 0.00 0.02 0.00 0.00 61.00 61.45 2k3f s PRO 74 Cb 0.29 -4.85 1.68 0.00 0.02 0.00 0.00 34.50 31.64 2k3f s PRO 74 CO 0.77 -4.46 2.00 0.00 -0.33 0.00 0.00 177.00 174.97 2k3f h ALA 75 N 12.31 1.00 -0.92 -1.55 0.00 -1.95 -2.64 119.26 125.51 2k3f h ALA 75 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.07 2k3f h ALA 75 Cb 1.00 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 2k3f h ALA 75 CO 1.04 0.00 0.59 0.77 0.00 0.00 0.00 179.25 181.64 2k3f h SER 76 N 0.00 0.72 0.01 0.00 0.02 -1.91 0.42 113.55 112.81 2k3f h SER 76 Ca 0.00 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2k3f h SER 76 Cb 0.11 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2k3f h SER 76 CO 0.00 0.36 -0.00 -0.26 -1.14 0.00 0.00 176.83 175.79 2k3f h PHE 77 N 0.76 -0.01 0.00 3.45 0.04 -1.84 -2.52 116.94 116.82 2k3f h PHE 77 Ca 0.46 -0.00 -0.09 0.00 2.80 0.00 0.00 57.97 61.15 2k3f h PHE 77 Cb 0.68 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.82 2k3f h PHE 77 CO -0.00 0.73 -0.41 -0.07 -0.60 0.00 0.00 178.31 177.95 2k3f h LEU 78 N -0.76 0.00 -0.69 1.54 -0.00 -1.62 -1.33 115.31 112.45 2k3f h LEU 78 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 2k3f h LEU 78 Cb 0.74 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.40 2k3f h LEU 78 CO 0.00 0.41 -0.13 -0.07 -0.00 0.00 0.00 178.44 178.66 2k3f h LEU 79 N 0.00 0.00 -1.19 1.67 3.38 -0.24 -2.51 115.31 116.43 2k3f h LEU 79 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2k3f h LEU 79 Cb 0.86 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 2k3f h LEU 79 CO 0.05 0.13 0.29 0.11 0.09 0.00 0.00 178.44 179.11 2k3f h LYS 80 N 0.00 0.86 0.11 1.13 1.79 -0.78 0.62 116.57 120.30 2k3f h LYS 80 Ca -0.00 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 2k3f h LYS 80 Cb 0.85 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 2k3f h LYS 80 CO 0.02 0.67 -0.05 0.87 -1.08 0.00 0.00 179.45 179.87 2k3f h LYS 81 N 0.86 -0.14 0.13 3.15 1.57 -1.39 -3.35 116.57 117.39 2k3f h LYS 81 Ca 0.21 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 2k3f h LYS 81 Cb 0.09 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2k3f h LYS 81 CO -0.03 -0.06 -0.06 0.00 -0.57 0.00 0.00 179.45 178.73 2k3f h ALA 82 N 0.70 -0.29 -2.02 3.86 0.00 -1.45 -3.43 119.26 116.63 2k3f h ALA 82 Ca -0.02 -0.04 -0.57 0.00 0.00 0.00 0.00 54.91 54.29 2k3f h ALA 82 Cb 0.15 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2k3f h ALA 82 CO 0.02 -0.28 0.95 0.00 0.00 0.00 0.00 179.25 179.95 2k3f s ALA 83 N -3.20 3.46 -0.42 0.00 0.00 0.22 -4.87 121.76 116.95 2k3f s ALA 83 Ca -0.02 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.18 2k3f s ALA 83 Cb 0.00 -3.73 0.51 0.00 0.00 0.00 0.00 23.12 19.90 2k3f s ALA 83 CO 0.07 -1.58 1.83 0.41 0.00 0.00 0.00 175.76 176.50 2k3f n GLY 84 N 4.09 4.38 2.93 0.00 0.00 -1.26 -3.79 105.19 111.54 2k3f n GLY 84 Ca 0.15 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.77 1.99 -1.77 -0.61 -5.35 -1.26 -4.83 119.36 106.77 2k3f n ILE 85 Ca 0.50 -1.52 -0.37 0.00 -0.27 0.00 0.00 62.75 61.10 2k3f n ILE 85 Cb 1.26 -2.24 -0.05 0.00 -1.74 0.00 0.00 39.64 36.87 2k3f n ILE 85 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2k3f n GLU 86 N 6.03 1.86 0.00 6.28 1.02 -1.26 -2.78 120.64 131.79 2k3f n GLU 86 Ca 0.47 -2.35 0.00 0.00 -0.02 0.00 0.00 57.16 55.26 2k3f n GLU 86 Cb 0.31 -3.37 0.00 0.00 -0.02 0.00 0.00 31.44 28.36 2k3f n GLU 86 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2k3f n LYS 87 N 7.65 0.00 0.00 3.49 5.02 -1.26 -5.06 118.16 128.00 2k3f n LYS 87 Ca 0.48 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 2k3f n LYS 87 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 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 -1.22 3.30 0.93 0.72 0.00 -1.12 -4.94 105.19 102.87 2k3f n GLY 88 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2k3f n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k3f n SER 89 N 0.33 -2.42 -2.34 1.61 2.88 -1.26 -4.94 113.62 107.48 2k3f n SER 89 Ca 0.00 0.10 -0.03 0.00 -1.33 0.00 0.00 58.87 57.61 2k3f n SER 89 Cb 0.00 -1.24 0.09 0.00 -0.75 0.00 0.00 64.21 62.31 2k3f n SER 89 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k3f n SER 90 N 0.11 -1.33 0.09 -3.46 7.64 -1.26 -4.95 113.62 110.46 2k3f n SER 90 Ca 0.00 -2.17 0.00 0.00 1.01 0.00 0.00 58.87 57.71 2k3f n SER 90 Cb 0.00 0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 2k3f n SER 90 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k3f n GLU 91 N -1.23 0.00 -0.17 1.43 4.07 -1.26 -4.98 120.64 118.50 2k3f n GLU 91 Ca -0.20 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.90 2k3f n GLU 91 Cb 0.84 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.22 2k3f n GLU 91 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2k3f n PRO 92 N -3.10 0.97 -1.48 5.31 -0.04 -1.26 -4.65 135.00 130.75 2k3f n PRO 92 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 2k3f n PRO 92 Cb 0.00 -1.02 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 2k3f n PRO 92 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k3f n LYS 93 N 0.87 2.48 0.20 0.54 5.02 -1.26 -2.96 118.16 123.05 2k3f n LYS 93 Ca 0.00 -2.29 0.00 0.00 -2.02 0.00 0.00 58.31 54.00 2k3f n LYS 93 Cb 0.48 -3.10 0.00 0.00 -0.02 0.00 0.00 35.03 32.39 2k3f n LYS 93 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2k3f n ARG 94 N 6.09 0.00 0.10 1.97 3.00 -1.26 -4.86 116.66 121.70 2k3f n ARG 94 Ca 0.53 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 58.51 2k3f n ARG 94 Cb 0.37 0.00 0.44 0.00 0.00 0.00 0.00 32.46 33.27 2k3f n ARG 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2k3f n LYS 95 N -3.36 0.22 -1.41 -0.14 4.76 -1.22 -4.99 118.16 112.02 2k3f n LYS 95 Ca 0.00 0.25 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 2k3f n LYS 95 Cb 0.00 -1.79 0.00 0.00 -1.84 0.00 0.00 35.03 31.40 2k3f n LYS 95 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2k3f n ILE 96 N -2.17 -5.96 -0.00 -0.18 2.08 -1.16 -4.93 119.36 107.04 2k3f n ILE 96 Ca 0.05 1.11 -0.10 0.00 0.56 0.00 0.00 62.75 64.36 2k3f n ILE 96 Cb 0.36 -3.96 -0.05 0.00 -0.75 0.00 0.00 39.64 35.24 2k3f n ILE 96 CO 0.00 0.00 0.00 1.62 0.56 0.00 0.00 176.55 178.73 2k3f h VAL 97 N 1.47 0.91 -2.27 1.39 3.04 -1.66 -3.47 116.25 115.66 2k3f h VAL 97 Ca 0.00 -0.00 0.20 0.00 -1.01 0.00 0.00 66.70 65.89 2k3f h VAL 97 Cb 0.00 0.89 -0.07 0.00 -2.01 0.00 0.00 31.29 30.10 2k3f h VAL 97 CO 0.00 0.00 0.59 -0.83 -1.01 0.00 0.00 177.57 176.32 2k3f s GLY 98 N -2.40 -0.13 0.34 3.17 0.00 -1.26 -4.97 107.32 102.08 2k3f s GLY 98 Ca -0.13 0.04 -0.04 0.00 0.00 0.00 0.00 44.72 44.58 2k3f s GLY 98 CO 0.67 1.10 0.50 0.54 0.00 0.00 0.00 173.10 175.91 2k3f s LYS 99 N -2.70 1.91 -0.30 2.90 1.02 -1.26 -2.86 119.74 118.45 2k3f s LYS 99 Ca 0.17 -1.70 -0.08 0.00 0.02 0.00 0.00 55.97 54.38 2k3f s LYS 99 Cb -0.01 0.46 0.18 0.00 -0.52 0.00 0.00 37.83 37.94 2k3f s LYS 99 CO 0.02 -0.80 0.83 0.14 -0.92 0.00 0.00 175.35 174.62 2k3f s VAL 100 N -3.07 -0.67 0.43 3.17 -7.23 -0.47 -4.06 120.40 108.50 2k3f s VAL 100 Ca 0.29 0.00 -0.21 0.00 -1.81 0.00 0.00 61.98 60.25 2k3f s VAL 100 Cb -0.01 -1.00 -0.15 0.00 0.56 0.00 0.00 36.38 35.79 2k3f s VAL 100 CO 0.19 0.00 0.16 1.07 -0.31 0.00 0.00 175.10 176.20 2k3f n THR 101 N 5.40 0.83 -0.39 5.32 5.66 -1.24 -3.31 114.28 126.55 2k3f n THR 101 Ca -0.05 -0.50 0.35 0.00 -3.05 0.00 0.00 64.05 60.81 2k3f n THR 101 Cb 0.52 -0.13 0.62 0.00 -1.55 0.00 0.00 70.33 69.79 2k3f n THR 101 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2k3f n ARG 102 N 1.16 -0.04 -0.07 1.09 5.12 -0.50 -0.76 116.66 122.65 2k3f n ARG 102 Ca 0.11 1.26 -0.08 0.00 -1.93 0.00 0.00 57.85 57.21 2k3f n ARG 102 Cb 0.41 -2.39 -0.01 0.00 -1.16 0.00 0.00 32.46 29.31 2k3f n ARG 102 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2k3f h LYS 103 N 0.00 0.19 -0.42 5.56 1.63 -1.86 -1.86 116.57 119.80 2k3f h LYS 103 Ca 0.84 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 60.64 2k3f h LYS 103 Cb 2.50 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 34.06 2k3f h LYS 103 CO -0.58 0.12 0.26 1.96 -3.45 0.00 0.00 179.45 177.77 2k3f h GLN 104 N 0.19 0.51 -0.96 1.90 7.50 -1.25 -0.95 115.11 122.06 2k3f h GLN 104 Ca 0.12 -0.03 0.12 0.00 0.50 0.00 0.00 58.65 59.36 2k3f h GLN 104 Cb 0.10 -0.12 -0.14 0.00 0.05 0.00 0.00 27.48 27.38 2k3f h GLN 104 CO -0.14 0.34 -0.48 0.82 -1.50 0.00 0.00 178.83 177.87 2k3f h ILE 105 N 0.53 0.01 -0.54 2.54 1.08 -1.46 -2.78 117.51 116.89 2k3f h ILE 105 Ca 0.17 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.69 2k3f h ILE 105 Cb -0.01 0.01 -0.09 0.00 -3.07 0.00 0.00 36.82 33.65 2k3f h ILE 105 CO -0.06 0.00 -0.56 -0.08 -0.69 0.00 0.00 178.15 176.76 2k3f h GLU 106 N -0.02 -0.29 -0.22 2.37 4.81 -0.34 0.48 114.58 121.36 2k3f h GLU 106 Ca 0.25 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.54 2k3f h GLU 106 Cb 0.51 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 2k3f h GLU 106 CO -0.94 -0.20 -0.03 0.93 -0.73 0.00 0.00 179.01 178.05 2k3f h GLU 107 N -0.30 0.04 -0.16 1.92 5.08 -1.36 0.56 114.58 120.35 2k3f h GLU 107 Ca 0.09 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 2k3f h GLU 107 Cb 0.55 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.72 2k3f h GLU 107 CO -0.67 0.02 -0.36 0.82 -1.00 0.00 0.00 179.01 177.83 2k3f h ILE 108 N 0.04 0.23 -0.65 3.13 1.08 -1.16 -1.20 117.51 118.97 2k3f h ILE 108 Ca 0.11 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.71 2k3f h ILE 108 Cb 0.15 0.23 -0.10 0.00 -3.07 0.00 0.00 36.82 34.02 2k3f h ILE 108 CO -0.20 0.00 0.08 0.00 -0.69 0.00 0.00 178.15 177.34 2k3f h ALA 109 N 0.35 0.73 -0.04 1.87 0.00 0.18 -1.07 119.26 121.28 2k3f h ALA 109 Ca 0.10 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2k3f h ALA 109 Cb 0.57 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2k3f h ALA 109 CO -0.39 -0.36 -0.01 0.87 0.00 0.00 0.00 179.25 179.37 2k3f h LYS 110 N 0.19 0.07 -0.17 0.00 1.57 0.53 0.39 116.57 119.15 2k3f h LYS 110 Ca 0.35 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.15 2k3f h LYS 110 Cb 0.56 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2k3f h LYS 110 CO -0.49 0.41 0.12 1.15 -0.57 0.00 0.00 179.45 180.06 2k3f h THR 111 N -0.27 0.91 0.00 -0.16 2.02 -1.09 -1.89 112.91 112.43 2k3f h THR 111 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 2k3f h THR 111 Cb 0.38 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2k3f h THR 111 CO 0.00 0.00 -1.08 1.17 0.37 0.00 0.00 175.52 175.99 2k3f n LYS 112 N -4.48 0.39 -0.27 6.66 4.81 -0.42 -4.46 118.16 120.39 2k3f n LYS 112 Ca 0.01 0.01 0.09 0.00 -0.87 0.00 0.00 58.31 57.55 2k3f n LYS 112 Cb 0.25 -1.64 0.23 0.00 0.02 0.00 0.00 35.03 33.89 2k3f n LYS 112 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 2k3f h MET 113 N 0.00 0.32 -0.41 1.64 4.05 0.63 0.47 114.93 121.64 2k3f h MET 113 Ca 0.00 -0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.51 2k3f h MET 113 Cb 0.81 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.52 2k3f h MET 113 CO 0.00 0.21 0.29 -1.00 0.23 0.00 0.00 176.91 176.65 2k3f h PRO 114 N 0.33 0.03 0.04 0.39 0.13 -1.78 -2.60 132.00 128.54 2k3f h PRO 114 Ca 0.48 -0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 65.27 2k3f h PRO 114 Cb 0.85 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.93 2k3f h PRO 114 CO -0.52 0.02 -1.89 -0.25 -0.23 0.00 0.00 178.00 175.13 2k3f n ASP 115 N -4.42 1.97 0.00 1.44 8.00 0.64 -4.17 116.55 120.01 2k3f n ASP 115 Ca 0.07 0.27 0.03 0.00 0.71 0.00 0.00 54.79 55.87 2k3f n ASP 115 Cb 0.47 -0.84 0.15 0.00 -0.02 0.00 0.00 41.12 40.88 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 -3.97 0.00 -3.28 0.64 4.32 0.13 -4.79 117.00 110.05 2k3f n LEU 116 Ca -0.38 0.15 -0.18 0.00 -0.02 0.00 0.00 56.01 55.57 2k3f n LEU 116 Cb 0.87 -0.15 0.08 0.00 -1.62 0.00 0.00 43.42 42.60 2k3f n LEU 116 CO 0.23 -0.12 0.16 -3.20 -1.22 0.00 0.00 177.39 173.24 2k3f n ASN 117 N -1.15 -3.87 -4.65 -1.43 5.15 -1.01 -4.94 115.26 103.37 2k3f n ASN 117 Ca 0.03 -0.53 -0.41 0.00 -0.60 0.00 0.00 54.58 53.07 2k3f n ASN 117 Cb 0.03 -4.70 -0.05 0.00 -0.53 0.00 0.00 39.78 34.53 2k3f n ASN 117 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k3f s ALA 118 N -3.31 3.61 0.30 5.20 0.00 -1.03 -4.91 121.76 121.62 2k3f s ALA 118 Ca 0.25 -0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.07 2k3f s ALA 118 Cb -0.11 -3.19 0.49 0.00 0.00 0.00 0.00 23.12 20.31 2k3f s ALA 118 CO 0.67 -0.81 1.74 -0.97 0.00 0.00 0.00 175.76 176.39 2k3f h ASN 119 N 7.64 0.34 -4.34 0.00 -1.24 -1.92 -3.45 115.58 112.61 2k3f h ASN 119 Ca -0.26 -0.12 -0.09 0.00 0.71 0.00 0.00 56.30 56.55 2k3f h ASN 119 Cb 1.11 -0.09 -0.22 0.00 0.73 0.00 0.00 38.32 39.85 2k3f h ASN 119 CO 0.83 0.64 -0.07 -0.55 -1.29 0.00 0.00 177.43 177.00 2k3f s SER 120 N -6.85 -0.51 0.51 1.15 0.15 -1.26 -5.07 113.70 101.81 2k3f s SER 120 Ca -0.06 0.82 0.25 0.00 0.70 0.00 0.00 55.95 57.67 2k3f s SER 120 Cb 0.14 0.84 1.34 0.00 -1.71 0.00 0.00 66.02 66.63 2k3f s SER 120 CO 0.77 -0.32 1.94 0.25 1.20 0.00 0.00 173.24 177.09 2k3f h LEU 121 N 4.57 0.10 -1.00 3.45 5.85 -1.97 -0.18 115.31 126.13 2k3f h LEU 121 Ca -0.28 0.01 0.24 0.00 0.84 0.00 0.00 57.88 58.68 2k3f h LEU 121 Cb 1.17 -0.01 -0.12 0.00 0.37 0.00 0.00 40.66 42.06 2k3f h LEU 121 CO 0.25 0.05 0.59 -0.33 -0.34 0.00 0.00 178.44 178.66 2k3f h GLU 122 N 0.10 0.58 -0.10 1.25 3.07 -1.98 0.50 114.58 118.00 2k3f h GLU 122 Ca 0.34 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.13 2k3f h GLU 122 Cb 1.18 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.96 2k3f h GLU 122 CO -0.04 0.38 -0.05 0.00 -1.40 0.00 0.00 179.01 177.91 2k3f h ALA 123 N 1.72 0.15 -0.74 3.43 0.00 -1.46 -2.53 119.26 119.83 2k3f h ALA 123 Ca 0.63 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 55.34 2k3f h ALA 123 Cb 1.17 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2k3f h ALA 123 CO -0.47 -0.08 0.48 0.00 0.00 0.00 0.00 179.25 179.19 2k3f h ALA 124 N 0.64 1.65 -0.43 0.00 0.00 -1.02 -1.17 119.26 118.93 2k3f h ALA 124 Ca 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2k3f h ALA 124 Cb 0.51 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2k3f h ALA 124 CO 0.02 0.25 0.18 0.52 0.00 0.00 0.00 179.25 180.21 2k3f h MET 125 N 0.81 0.60 0.10 0.00 2.86 0.07 -1.60 114.93 117.77 2k3f h MET 125 Ca 0.31 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 2k3f h MET 125 Cb 0.19 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2k3f h MET 125 CO -0.10 0.49 -0.05 0.87 1.06 0.00 0.00 176.91 179.18 2k3f h LYS 126 N 0.60 -0.13 0.08 1.72 6.56 -0.80 -0.60 116.57 124.00 2k3f h LYS 126 Ca 0.15 0.01 0.01 0.00 -1.06 0.00 0.00 60.65 59.76 2k3f h LYS 126 Cb 0.11 0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 31.76 2k3f h LYS 126 CO -0.02 0.09 -0.41 0.82 -2.06 0.00 0.00 179.45 177.88 2k3f h ILE 127 N -0.34 0.00 -0.24 1.86 2.04 -0.80 0.15 117.51 120.17 2k3f h ILE 127 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.91 2k3f h ILE 127 Cb 0.28 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.29 2k3f h ILE 127 CO 0.02 0.00 -0.31 0.40 0.00 0.00 0.00 178.15 178.26 2k3f h ILE 128 N -0.58 0.28 -0.68 -0.67 1.08 -1.31 0.82 117.51 116.47 2k3f h ILE 128 Ca -0.00 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.57 2k3f h ILE 128 Cb 0.58 0.28 -0.08 0.00 -3.07 0.00 0.00 36.82 34.54 2k3f h ILE 128 CO -0.23 0.00 0.29 -0.08 -0.69 0.00 0.00 178.15 177.44 2k3f h GLU 129 N -0.32 0.47 -0.09 2.37 4.81 -0.97 0.24 114.58 121.09 2k3f h GLU 129 Ca 0.13 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 2k3f h GLU 129 Cb 0.53 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2k3f h GLU 129 CO -0.42 0.31 -0.27 0.78 -0.73 0.00 0.00 179.01 178.67 2k3f h GLY 130 N 0.48 0.38 -0.34 1.92 0.00 0.93 0.83 103.07 107.26 2k3f h GLY 130 Ca 0.35 -0.49 0.04 0.00 0.00 0.00 0.00 47.33 47.23 2k3f h GLY 130 CO -0.32 0.44 -0.55 -0.84 0.00 0.00 0.00 176.54 175.27 2k3f h THR 131 N -0.12 0.00 -0.67 4.70 2.02 0.91 -0.91 112.91 118.84 2k3f h THR 131 Ca -0.01 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.31 2k3f h THR 131 Cb 0.90 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.19 2k3f h THR 131 CO 0.06 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.94 2k3f h ALA 132 N -0.12 0.65 -0.45 6.16 0.00 -0.42 -1.72 119.26 123.37 2k3f h ALA 132 Ca 0.06 0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.27 2k3f h ALA 132 Cb 0.61 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.67 2k3f h ALA 132 CO -0.56 -0.40 -0.32 0.87 0.00 0.00 0.00 179.25 178.84 2k3f h LYS 133 N 0.10 -0.21 -0.06 0.00 1.57 0.21 -0.07 116.57 118.11 2k3f h LYS 133 Ca 0.35 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.10 2k3f h LYS 133 Cb 0.58 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 2k3f h LYS 133 CO -0.58 -0.14 -0.20 0.77 -0.57 0.00 0.00 179.45 178.73 2k3f h SER 134 N -0.22 0.09 0.00 0.86 0.02 -0.44 -2.50 113.55 111.36 2k3f h SER 134 Ca 0.19 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2k3f h SER 134 Cb 0.54 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2k3f h SER 134 CO -0.58 0.30 0.00 0.23 -1.14 0.00 0.00 176.83 175.64 2k3f n MET 135 N -4.26 0.98 -0.61 3.45 2.81 -0.22 -4.83 117.12 114.43 2k3f n MET 135 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 2k3f n MET 135 Cb 0.28 -1.10 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 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 0.58 0.76 3.80 3.03 0.00 -0.94 -4.82 105.19 107.61 2k3f n GLY 136 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.77 5.42 0.30 -0.61 1.01 -0.21 -3.11 121.20 121.24 2k3f s ILE 137 Ca 0.00 0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.94 2k3f s ILE 137 Cb 0.00 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 2k3f s ILE 137 CO 0.00 0.52 0.46 -0.70 0.00 0.00 0.00 174.94 175.23 2k3f s GLU 138 N -0.32 3.46 -0.15 2.79 2.12 -1.13 -2.97 118.70 122.50 2k3f s GLU 138 Ca 0.13 -0.53 -0.04 0.00 0.36 0.00 0.00 54.97 54.89 2k3f s GLU 138 Cb -0.12 -2.76 -0.03 0.00 0.26 0.00 0.00 34.13 31.48 2k3f s GLU 138 CO 0.02 0.27 -0.01 0.14 -0.54 0.00 0.00 175.26 175.14 2k3f s VAL 139 N -2.17 4.14 0.48 3.70 -7.23 -1.26 -1.36 120.40 116.70 2k3f s VAL 139 Ca 0.37 -0.28 0.01 0.00 -1.81 0.00 0.00 61.98 60.28 2k3f s VAL 139 Cb -0.09 -2.81 0.01 0.00 0.56 0.00 0.00 36.38 34.05 2k3f s VAL 139 CO 0.33 0.51 0.10 1.33 -0.31 0.00 0.00 175.10 177.06 2k3f n VAL 140 N 3.30 0.00 -0.20 1.32 0.24 -1.21 -4.84 118.33 116.94 2k3f n VAL 140 Ca -0.17 -2.16 0.00 0.00 -2.04 0.00 0.00 64.34 59.96 2k3f n VAL 140 Cb 0.53 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 2k3f n VAL 140 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02