#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 -2.22 3.04 0.00 -1.26 -5.03 120.51 115.04 2k3f n ALA 2 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2k3f n ALA 2 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 2.74 2.93 -0.08 0.00 3.01 -1.26 -4.24 119.74 122.84 2k3f s LYS 3 Ca 0.00 -1.40 0.04 0.00 -1.01 0.00 0.00 55.97 53.60 2k3f s LYS 3 Cb 0.00 -5.33 -0.01 0.00 -1.01 0.00 0.00 37.83 31.48 2k3f s LYS 3 CO 0.00 -3.47 -0.21 0.21 0.51 0.00 0.00 175.35 172.39 2k3f s LYS 4 N 5.82 2.85 0.10 1.68 2.20 -1.26 -4.98 119.74 126.15 2k3f s LYS 4 Ca 0.64 -0.83 -0.31 0.00 -0.36 0.00 0.00 55.97 55.11 2k3f s LYS 4 Cb 0.01 -2.32 -0.09 0.00 -1.51 0.00 0.00 37.83 33.91 2k3f s LYS 4 CO 0.11 0.32 1.77 0.08 -0.36 0.00 0.00 175.35 177.27 2k3f s VAL 5 N 0.01 2.75 -0.17 4.02 1.01 -1.26 -0.43 120.40 126.33 2k3f s VAL 5 Ca -0.08 0.22 0.18 0.00 0.00 0.00 0.00 61.98 62.31 2k3f s VAL 5 Cb -0.15 -3.14 -0.26 0.00 0.00 0.00 0.00 36.38 32.83 2k3f s VAL 5 CO 0.05 -0.00 0.14 0.00 0.00 0.00 0.00 175.10 175.29 2k3f n ALA 6 N 5.73 1.67 -3.00 5.51 0.00 0.26 -4.78 120.51 125.90 2k3f n ALA 6 Ca 0.17 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.39 2k3f n ALA 6 Cb 0.39 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 -2.68 0.00 -3.41 0.00 0.00 -0.27 -5.01 120.51 109.14 2k3f n ALA 7 Ca -0.29 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.03 2k3f n ALA 7 Cb 1.08 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.42 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 -1.28 0.31 -0.69 0.00 -2.07 -1.26 -1.98 119.66 112.70 2k3f s GLN 8 Ca 0.00 0.50 0.05 0.00 -1.82 0.00 0.00 55.36 54.09 2k3f s GLN 8 Cb 0.00 0.06 0.17 0.00 -1.09 0.00 0.00 33.01 32.15 2k3f s GLN 8 CO 0.00 -0.09 0.48 0.42 -1.32 0.00 0.00 175.29 174.78 2k3f s ILE 9 N 0.64 2.78 -0.11 3.63 -1.09 0.20 -4.91 121.20 122.35 2k3f s ILE 9 Ca -0.04 -4.18 -0.30 0.00 -2.23 0.00 0.00 60.65 53.90 2k3f s ILE 9 Cb -0.05 -2.83 -0.01 0.00 -1.58 0.00 0.00 42.46 37.98 2k3f s ILE 9 CO -0.04 -1.01 1.03 -0.75 -1.23 0.00 0.00 174.94 172.94 2k3f s LYS 10 N -1.35 4.41 -0.25 2.79 2.20 -1.26 -1.39 119.74 124.88 2k3f s LYS 10 Ca 0.25 1.42 -0.15 0.00 -0.36 0.00 0.00 55.97 57.13 2k3f s LYS 10 Cb -0.05 -3.55 0.07 0.00 -1.51 0.00 0.00 37.83 32.80 2k3f s LYS 10 CO -0.16 -0.34 0.62 -0.48 -0.36 0.00 0.00 175.35 174.63 2k3f s LEU 11 N 2.08 -0.71 -0.22 5.43 0.05 -0.54 -4.95 118.68 119.81 2k3f s LEU 11 Ca 0.49 1.35 -0.26 0.00 0.05 0.00 0.00 54.13 55.76 2k3f s LEU 11 Cb -0.19 2.12 -0.00 0.00 -2.05 0.00 0.00 46.19 46.08 2k3f s LEU 11 CO 0.18 -0.23 0.91 -1.10 -0.55 0.00 0.00 176.35 175.56 2k3f s GLN 12 N 1.52 4.24 -0.01 1.48 -0.21 -1.26 -2.55 119.66 122.87 2k3f s GLN 12 Ca -0.09 1.12 0.01 0.00 0.02 0.00 0.00 55.36 56.42 2k3f s GLN 12 Cb -0.06 -3.63 0.00 0.00 1.00 0.00 0.00 33.01 30.33 2k3f s GLN 12 CO -0.17 -0.52 -0.04 -0.51 -2.12 0.00 0.00 175.29 171.93 2k3f s LEU 13 N 2.82 1.83 0.06 2.90 1.43 0.14 -4.86 118.68 123.01 2k3f s LEU 13 Ca 0.39 -0.08 -0.31 0.00 -1.03 0.00 0.00 54.13 53.10 2k3f s LEU 13 Cb -0.15 -0.25 -0.10 0.00 0.03 0.00 0.00 46.19 45.71 2k3f s LEU 13 CO 0.08 0.02 1.88 -2.65 0.23 0.00 0.00 176.35 175.92 2k3f n PRO 14 N 3.23 2.71 -1.82 1.29 -0.02 -1.23 0.86 135.00 140.01 2k3f n PRO 14 Ca -0.16 0.99 -0.42 0.00 -2.02 0.00 0.00 63.50 61.89 2k3f n PRO 14 Cb 0.57 -2.89 -0.03 0.00 -0.02 0.00 0.00 33.50 31.12 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 3.47 3.84 0.00 3.55 0.00 0.36 -0.41 121.76 132.57 2k3f s ALA 15 Ca 0.86 1.46 0.00 0.00 0.00 0.00 0.00 51.96 54.28 2k3f s ALA 15 Cb -0.50 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 18.94 2k3f s ALA 15 CO 0.41 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.65 2k3f n GLY 16 N 3.93 0.90 2.55 0.00 0.00 -1.24 -0.40 105.19 110.93 2k3f n GLY 16 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 2k3f n GLY 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k3f s LYS 17 N -0.07 0.51 -0.28 1.61 2.36 0.45 -4.97 119.74 119.36 2k3f s LYS 17 Ca 0.00 -1.09 -0.21 0.00 -2.55 0.00 0.00 55.97 52.12 2k3f s LYS 17 Cb 0.00 -1.13 0.10 0.00 -1.05 0.00 0.00 37.83 35.75 2k3f s LYS 17 CO 0.00 -1.18 0.83 0.00 1.55 0.00 0.00 175.35 176.55 2k3f s ALA 18 N 1.32 -1.93 0.00 3.13 0.00 -1.26 -3.52 121.76 119.50 2k3f s ALA 18 Ca 0.16 2.14 0.00 0.00 0.00 0.00 0.00 51.96 54.26 2k3f s ALA 18 Cb -0.20 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.52 2k3f s ALA 18 CO -0.06 -0.33 0.00 -2.37 0.00 0.00 0.00 175.76 173.01 2k3f n THR 19 N 3.20 0.00 -3.74 0.00 5.66 -1.26 -4.77 114.28 113.37 2k3f n THR 19 Ca -0.16 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.48 2k3f n THR 19 Cb 0.57 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.25 2k3f n THR 19 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2k3f s PRO 20 N -2.00 4.01 0.00 1.09 0.04 -1.26 -4.52 135.00 132.36 2k3f s PRO 20 Ca 0.00 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.73 2k3f s PRO 20 Cb 0.00 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.09 2k3f s PRO 20 CO 0.00 0.08 0.00 0.00 0.04 0.00 0.00 177.00 177.12 2k3f n ALA 21 N 4.19 0.00 -0.13 8.56 0.00 -1.26 -3.71 120.51 128.15 2k3f n ALA 21 Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 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 -0.11 0.00 0.00 -0.02 -1.26 0.17 135.00 133.78 2k3f n PRO 22 Ca 0.00 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2k3f n PRO 22 Cb 0.00 -0.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 2k3f n PRO 22 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2k3f n PRO 23 N -4.46 0.00 0.27 0.52 -0.04 -1.24 -4.55 135.00 125.49 2k3f n PRO 23 Ca 0.02 0.36 -0.16 0.00 -0.04 0.00 0.00 63.50 63.69 2k3f n PRO 23 Cb 0.12 -0.92 -0.08 0.00 -0.04 0.00 0.00 33.50 32.57 2k3f n PRO 23 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2k3f h VAL 24 N 0.00 0.50 0.00 0.52 2.07 -1.14 -2.89 116.25 115.31 2k3f h VAL 24 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2k3f h VAL 24 Cb 0.00 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2k3f h VAL 24 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 2k3f n GLY 25 N -1.38 -2.93 0.27 2.17 0.00 0.45 -0.54 105.19 103.23 2k3f n GLY 25 Ca -0.11 0.40 0.06 0.00 0.00 0.00 0.00 46.02 46.37 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 0.17 0.00 1.61 0.11 -1.68 0.74 132.00 132.94 2k3f h PRO 26 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2k3f h PRO 26 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 2k3f h PRO 26 CO 0.00 0.11 0.00 0.00 -0.21 0.00 0.00 178.00 177.90 2k3f n ALA 27 N -2.79 -0.07 0.04 -0.75 0.00 -0.82 -2.65 120.51 113.47 2k3f n ALA 27 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.45 2k3f n ALA 27 Cb 0.47 0.16 -0.09 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.13 -1.00 0.00 3.38 -0.77 -3.34 115.31 113.45 2k3f h LEU 28 Ca 0.00 -0.37 0.09 0.00 0.09 0.00 0.00 57.88 57.69 2k3f h LEU 28 Cb 0.00 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 2k3f h LEU 28 CO 0.00 0.33 0.64 1.23 0.09 0.00 0.00 178.44 180.73 2k3f h GLY 29 N -0.62 1.56 2.00 0.83 0.00 0.37 0.29 103.07 107.51 2k3f h GLY 29 Ca -0.02 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 2k3f h GLY 29 CO 0.03 0.26 -0.00 -1.61 0.00 0.00 0.00 176.54 175.21 2k3f h GLN 30 N 1.10 0.00 -0.63 4.80 4.15 -1.52 0.23 115.11 123.24 2k3f h GLN 30 Ca 0.46 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.88 2k3f h GLN 30 Cb 0.30 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.99 2k3f h GLN 30 CO -0.21 0.00 0.00 0.72 -1.93 0.00 0.00 178.83 177.41 2k3f n HIS 31 N -4.00 1.78 -0.85 3.99 8.25 0.96 -4.90 115.22 120.46 2k3f n HIS 31 Ca -0.03 -0.66 0.00 0.00 -0.26 0.00 0.00 57.72 56.77 2k3f n HIS 31 Cb 0.09 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 30.83 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 0.94 0.66 3.81 -1.41 0.00 0.82 -4.88 105.19 105.13 2k3f n GLY 32 Ca 0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.41 4.44 -0.61 1.61 1.01 -0.86 -4.86 120.40 118.72 2k3f s VAL 33 Ca 0.00 1.45 -0.27 0.00 0.00 0.00 0.00 61.98 63.17 2k3f s VAL 33 Cb 0.00 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 2k3f s VAL 33 CO 0.00 0.08 1.81 0.21 0.00 0.00 0.00 175.10 177.20 2k3f s ASN 34 N -1.78 5.36 0.28 3.32 3.84 -1.26 -3.96 114.94 120.74 2k3f s ASN 34 Ca 0.49 0.30 0.02 0.00 0.21 0.00 0.00 52.86 53.88 2k3f s ASN 34 Cb -0.16 -2.53 0.59 0.00 -0.55 0.00 0.00 41.25 38.60 2k3f s ASN 34 CO 0.21 -2.32 1.81 0.40 -2.79 0.00 0.00 177.10 174.41 2k3f h ILE 35 N 6.82 0.85 0.22 -5.21 1.08 -1.93 -0.91 117.51 118.42 2k3f h ILE 35 Ca -0.26 -0.31 -0.01 0.00 -0.39 0.00 0.00 64.86 63.89 2k3f h ILE 35 Cb 1.15 -0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.78 2k3f h ILE 35 CO 1.22 0.16 -0.11 0.24 -0.69 0.00 0.00 178.15 178.97 2k3f h MET 36 N 0.90 -0.29 -0.11 2.37 2.86 -1.88 0.51 114.93 119.29 2k3f h MET 36 Ca 0.51 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 58.16 2k3f h MET 36 Cb 0.60 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 2k3f h MET 36 CO -0.30 -0.00 -0.01 1.05 1.06 0.00 0.00 176.91 178.71 2k3f h GLU 37 N -0.57 0.15 0.87 1.72 4.11 -1.89 0.83 114.58 119.79 2k3f h GLU 37 Ca -0.03 -0.02 -0.04 0.00 0.07 0.00 0.00 59.36 59.34 2k3f h GLU 37 Cb 0.42 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.65 2k3f h GLU 37 CO 0.05 0.18 -0.44 0.35 0.07 0.00 0.00 179.01 179.21 2k3f h PHE 38 N 0.15 -1.15 -0.19 2.06 3.57 -0.92 -2.50 116.94 117.96 2k3f h PHE 38 Ca 0.04 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.55 2k3f h PHE 38 Cb 0.12 0.39 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 2k3f h PHE 38 CO 0.00 -0.70 -0.05 0.00 -2.23 0.00 0.00 178.31 175.33 2k3f h LYS 40 N -0.00 0.00 0.09 0.00 1.57 0.55 0.69 116.57 119.47 2k3f h LYS 40 Ca 0.09 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2k3f h LYS 40 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2k3f h LYS 40 CO -0.19 0.06 -0.04 0.00 -0.57 0.00 0.00 179.45 178.70 2k3f h ARG 41 N 0.00 -0.11 -0.39 3.15 3.08 -0.67 -3.13 114.38 116.31 2k3f h ARG 41 Ca -0.00 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.13 2k3f h ARG 41 Cb 0.29 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.30 2k3f h ARG 41 CO 0.01 -0.08 0.02 0.35 -1.07 0.00 0.00 179.97 179.20 2k3f h PHE 42 N -0.60 0.02 0.18 3.04 3.57 0.88 0.40 116.94 124.43 2k3f h PHE 42 Ca -0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2k3f h PHE 42 Cb 0.09 0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.88 2k3f h PHE 42 CO 0.01 -0.05 -0.08 -0.91 -2.23 0.00 0.00 178.31 175.05 2k3f h ASN 43 N 0.13 -0.20 -0.57 0.41 2.35 -1.09 0.50 115.58 117.12 2k3f h ASN 43 Ca 0.19 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.90 2k3f h ASN 43 Cb 0.26 0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 2k3f h ASN 43 CO -0.30 -0.13 0.22 0.00 -1.65 0.00 0.00 177.43 175.57 2k3f h ALA 44 N 0.58 1.23 -0.37 -0.83 0.00 -1.25 -0.93 119.26 117.69 2k3f h ALA 44 Ca -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2k3f h ALA 44 Cb 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2k3f h ALA 44 CO 0.04 0.55 0.14 0.93 0.00 0.00 0.00 179.25 180.91 2k3f h GLU 45 N 0.89 0.56 -0.16 0.00 4.39 0.32 -3.17 114.58 117.41 2k3f h GLU 45 Ca 0.20 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2k3f h GLU 45 Cb 0.22 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2k3f h GLU 45 CO -0.01 0.55 0.00 0.25 -1.16 0.00 0.00 179.01 178.63 2k3f n THR 46 N -4.66 0.20 -0.34 1.13 -2.24 0.17 -4.13 114.28 104.40 2k3f n THR 46 Ca -0.01 -0.35 0.22 0.00 -2.27 0.00 0.00 64.05 61.64 2k3f n THR 46 Cb 0.15 0.41 0.45 0.00 -2.10 0.00 0.00 70.33 69.24 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 4.10 1.99 -0.15 6.98 0.00 -1.15 0.48 119.26 131.51 2k3f h ALA 47 Ca 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2k3f h ALA 47 Cb 0.51 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2k3f h ALA 47 CO 0.00 -0.50 0.05 0.22 0.00 0.00 0.00 179.25 179.02 2k3f h ASP 48 N 0.44 0.21 -0.62 0.00 3.58 -1.84 -3.15 116.42 115.03 2k3f h ASP 48 Ca 0.67 -0.20 -0.10 0.00 0.42 0.00 0.00 57.03 57.83 2k3f h ASP 48 Cb 1.50 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 42.44 2k3f h ASP 48 CO -0.48 0.35 0.12 0.29 -2.88 0.00 0.00 179.24 176.65 2k3f n LYS 49 N -4.85 4.22 -1.63 0.28 5.02 -0.01 -4.98 118.16 116.21 2k3f n LYS 49 Ca -0.05 -2.96 -0.47 0.00 -2.02 0.00 0.00 58.31 52.80 2k3f n LYS 49 Cb 0.14 -2.21 -0.04 0.00 -0.02 0.00 0.00 35.03 32.90 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 0.27 0.28 0.00 7.82 0.00 -0.23 -3.16 120.51 125.48 2k3f n ALA 50 Ca 0.32 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.21 2k3f n ALA 50 Cb 1.24 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 2.40 1.31 2.75 0.00 0.00 0.46 -4.94 105.19 107.17 2k3f n GLY 51 Ca 0.15 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 -0.05 0.14 -0.87 1.61 1.00 -1.19 -4.90 119.30 115.03 2k3f s MET 52 Ca 0.00 0.20 -0.25 0.00 0.00 0.00 0.00 55.69 55.64 2k3f s MET 52 Cb 0.00 -0.50 -0.08 0.00 0.00 0.00 0.00 34.83 34.25 2k3f s MET 52 CO 0.00 -0.23 2.12 0.42 0.00 0.00 0.00 175.02 177.33 2k3f s ILE 53 N 1.52 3.29 0.18 2.53 -1.09 -1.26 0.14 121.20 126.51 2k3f s ILE 53 Ca -0.03 -0.25 -0.30 0.00 -2.23 0.00 0.00 60.65 57.84 2k3f s ILE 53 Cb -0.13 -3.66 -0.08 0.00 -1.58 0.00 0.00 42.46 37.01 2k3f s ILE 53 CO -0.03 -0.60 0.97 -0.76 -1.23 0.00 0.00 174.94 173.30 2k3f s LEU 54 N 11.93 4.57 -0.53 2.97 1.43 0.25 -4.72 118.68 134.57 2k3f s LEU 54 Ca 0.78 1.92 -0.28 0.00 -1.03 0.00 0.00 54.13 55.52 2k3f s LEU 54 Cb -0.09 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.54 2k3f s LEU 54 CO 0.03 0.01 1.40 -2.84 0.23 0.00 0.00 176.35 175.19 2k3f s PRO 55 N -0.65 3.36 0.14 1.29 0.02 -1.26 -0.68 135.00 137.23 2k3f s PRO 55 Ca 0.44 0.54 0.05 0.00 0.02 0.00 0.00 61.00 62.05 2k3f s PRO 55 Cb -0.26 -4.10 -0.04 0.00 0.02 0.00 0.00 34.50 30.13 2k3f s PRO 55 CO 0.32 -1.85 0.12 0.54 -0.33 0.00 0.00 177.00 175.80 2k3f s VAL 56 N 5.88 4.48 -0.09 3.83 0.11 -1.06 -0.82 120.40 132.74 2k3f s VAL 56 Ca 0.54 -1.00 -0.01 0.00 -2.93 0.00 0.00 61.98 58.57 2k3f s VAL 56 Cb -0.11 -3.25 0.03 0.00 -1.53 0.00 0.00 36.38 31.52 2k3f s VAL 56 CO 0.27 -0.05 -0.00 -0.69 -3.33 0.00 0.00 175.10 171.30 2k3f s VAL 57 N -1.65 0.46 -0.06 2.04 1.01 -0.25 -1.46 120.40 120.48 2k3f s VAL 57 Ca 0.30 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.30 2k3f s VAL 57 Cb -0.11 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 2k3f s VAL 57 CO 0.23 0.23 -0.02 -0.63 0.00 0.00 0.00 175.10 174.91 2k3f s ILE 58 N 1.93 4.13 -0.32 2.22 1.01 -0.49 -0.66 121.20 129.03 2k3f s ILE 58 Ca 0.04 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.34 2k3f s ILE 58 Cb -0.13 -2.74 0.10 0.00 0.01 0.00 0.00 42.46 39.69 2k3f s ILE 58 CO -0.06 0.56 0.06 -0.89 0.00 0.00 0.00 174.94 174.61 2k3f s THR 59 N -0.91 1.69 -0.01 2.92 2.01 0.11 0.59 115.64 122.05 2k3f s THR 59 Ca 0.14 -1.89 -0.19 0.00 0.31 0.00 0.00 61.69 60.06 2k3f s THR 59 Cb -0.11 -2.23 -0.05 0.00 0.01 0.00 0.00 72.50 70.12 2k3f s THR 59 CO 0.04 -0.58 0.55 0.54 -0.69 0.00 0.00 174.62 174.48 2k3f s VAL 60 N 1.21 4.94 0.47 3.82 0.11 -0.84 -1.90 120.40 128.21 2k3f s VAL 60 Ca 0.09 1.14 0.04 0.00 -2.93 0.00 0.00 61.98 60.32 2k3f s VAL 60 Cb -0.18 -3.88 0.09 0.00 -1.53 0.00 0.00 36.38 30.87 2k3f s VAL 60 CO -0.14 0.45 0.65 -1.22 -3.33 0.00 0.00 175.10 171.51 2k3f n TYR 61 N 2.57 -2.74 -0.07 1.54 4.02 0.33 0.92 117.16 123.73 2k3f n TYR 61 Ca -0.08 -1.43 0.16 0.00 -0.01 0.00 0.00 57.90 56.54 2k3f n TYR 61 Cb 0.51 -0.46 0.58 0.00 -0.02 0.00 0.00 39.34 39.95 2k3f n TYR 61 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2k3f h GLU 62 N 0.00 0.24 0.00 -0.72 5.08 -0.92 -2.30 114.58 115.95 2k3f h GLU 62 Ca -0.22 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2k3f h GLU 62 Cb 0.90 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2k3f h GLU 62 CO 0.27 0.16 0.00 -0.25 -1.00 0.00 0.00 179.01 178.19 2k3f n ASP 63 N -4.44 0.21 0.00 1.42 9.92 -1.26 -4.79 116.55 117.61 2k3f n ASP 63 Ca 0.11 0.53 0.00 0.00 -0.53 0.00 0.00 54.79 54.90 2k3f n ASP 63 Cb 0.51 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 40.41 2k3f n ASP 63 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2k3f n LYS 64 N -1.70 0.00 -1.28 -1.24 4.76 -0.87 -5.05 118.16 112.79 2k3f n LYS 64 Ca 0.06 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.20 2k3f n LYS 64 Cb 0.33 -2.12 0.20 0.00 -1.84 0.00 0.00 35.03 31.59 2k3f n LYS 64 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2k3f s SER 65 N -2.62 2.02 0.10 4.39 0.01 -1.26 -4.35 113.70 111.99 2k3f s SER 65 Ca 0.00 0.78 -0.12 0.00 1.31 0.00 0.00 55.95 57.92 2k3f s SER 65 Cb 0.00 -1.17 0.04 0.00 0.21 0.00 0.00 66.02 65.10 2k3f s SER 65 CO 0.00 -3.46 0.58 2.22 0.41 0.00 0.00 173.24 172.99 2k3f n PHE 66 N -4.34 -0.97 -3.71 2.43 -1.74 -1.26 -0.51 117.46 107.35 2k3f n PHE 66 Ca 0.10 -0.69 -0.09 0.00 -0.56 0.00 0.00 57.45 56.21 2k3f n PHE 66 Cb 0.59 0.33 -0.02 0.00 1.52 0.00 0.00 39.48 41.90 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 -2.28 0.00 -0.00 1.97 -4.23 -0.80 -4.94 115.64 105.36 2k3f s THR 67 Ca 0.13 -0.66 -0.28 0.00 -1.18 0.00 0.00 61.69 59.69 2k3f s THR 67 Cb -0.02 -1.65 0.09 0.00 1.34 0.00 0.00 72.50 72.26 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 -3.86 -0.50 0.35 3.99 -0.71 -1.26 0.07 117.98 116.06 2k3f s PHE 68 Ca 0.08 0.60 0.09 0.00 -1.04 0.00 0.00 56.93 56.66 2k3f s PHE 68 Cb -0.04 0.49 -0.07 0.00 -1.21 0.00 0.00 43.02 42.19 2k3f s PHE 68 CO -0.00 -0.61 -0.07 0.96 -1.34 0.00 0.00 175.22 174.15 2k3f s ILE 69 N -2.33 2.15 -0.14 -4.49 -4.36 0.17 -4.93 121.20 107.27 2k3f s ILE 69 Ca -0.02 -2.16 -0.04 0.00 -0.26 0.00 0.00 60.65 58.17 2k3f s ILE 69 Cb -0.01 -2.70 0.05 0.00 1.25 0.00 0.00 42.46 41.05 2k3f s ILE 69 CO -0.02 -0.17 0.06 -0.63 0.24 0.00 0.00 174.94 174.42 2k3f s ILE 70 N -2.66 0.08 -0.57 8.37 1.01 -1.26 -1.09 121.20 125.07 2k3f s ILE 70 Ca 0.33 -0.09 -0.28 0.00 0.00 0.00 0.00 60.65 60.61 2k3f s ILE 70 Cb 0.04 -0.57 0.01 0.00 0.01 0.00 0.00 42.46 41.95 2k3f s ILE 70 CO 0.17 -0.11 1.45 -0.54 0.00 0.00 0.00 174.94 175.91 2k3f s LYS 71 N 2.07 3.23 0.52 2.79 -0.14 -0.00 -4.87 119.74 123.34 2k3f s LYS 71 Ca 0.02 0.44 0.27 0.00 -1.36 0.00 0.00 55.97 55.35 2k3f s LYS 71 Cb -0.15 -4.15 1.46 0.00 -1.68 0.00 0.00 37.83 33.31 2k3f s LYS 71 CO -0.07 -2.02 2.08 1.79 -0.76 0.00 0.00 175.35 176.37 2k3f h THR 72 N 6.41 0.58 -0.94 2.17 1.35 -1.93 -3.38 112.91 117.16 2k3f h THR 72 Ca -0.27 -0.50 0.15 0.00 -0.55 0.00 0.00 66.41 65.25 2k3f h THR 72 Cb 1.10 1.32 -0.16 0.00 -1.73 0.00 0.00 68.15 68.68 2k3f h THR 72 CO 1.18 0.11 -0.34 -2.65 -0.25 0.00 0.00 175.52 173.57 2k3f n PRO 73 N -3.67 -0.19 -1.55 4.72 -0.02 -1.26 -3.91 135.00 129.11 2k3f n PRO 73 Ca -0.02 1.45 -0.35 0.00 -2.02 0.00 0.00 63.50 62.57 2k3f n PRO 73 Cb 0.23 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 2k3f n PRO 73 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2k3f n PRO 74 N -5.42 0.96 0.00 0.52 -0.04 -1.26 -4.76 135.00 125.00 2k3f n PRO 74 Ca 0.11 -0.06 0.09 0.00 -0.04 0.00 0.00 63.50 63.59 2k3f n PRO 74 Cb 0.40 -3.39 0.42 0.00 -0.04 0.00 0.00 33.50 30.88 2k3f n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k3f n ALA 75 N 15.94 1.89 -0.33 0.55 0.00 -1.25 -3.65 120.51 133.65 2k3f n ALA 75 Ca 0.39 -0.07 0.16 0.00 0.00 0.00 0.00 53.44 53.92 2k3f n ALA 75 Cb 0.52 -1.30 0.39 0.00 0.00 0.00 0.00 19.45 19.06 2k3f n ALA 75 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2k3f h SER 76 N 0.00 0.66 0.23 0.00 0.02 -1.90 0.46 113.55 113.02 2k3f h SER 76 Ca 0.00 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2k3f h SER 76 Cb 0.26 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2k3f h SER 76 CO 0.00 0.21 -0.11 -0.26 -1.14 0.00 0.00 176.83 175.52 2k3f h PHE 77 N 0.62 -0.29 -0.00 3.45 0.04 -1.95 -2.51 116.94 116.31 2k3f h PHE 77 Ca 0.57 -0.01 -0.16 0.00 2.80 0.00 0.00 57.97 61.18 2k3f h PHE 77 Cb 1.09 0.10 -0.02 0.00 2.20 0.00 0.00 35.95 39.31 2k3f h PHE 77 CO -0.00 0.09 -0.75 -0.07 -0.60 0.00 0.00 178.31 176.98 2k3f h LEU 78 N -0.85 0.05 -0.96 1.54 -0.00 -1.68 -2.26 115.31 111.15 2k3f h LEU 78 Ca -0.03 -0.04 -0.03 0.00 -0.00 0.00 0.00 57.88 57.79 2k3f h LEU 78 Cb 0.51 -0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 41.12 2k3f h LEU 78 CO 0.05 0.78 0.40 0.25 -0.00 0.00 0.00 178.44 179.92 2k3f h LEU 79 N 0.02 1.02 -2.63 1.67 6.46 -0.18 0.15 115.31 121.83 2k3f h LEU 79 Ca -0.01 -0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.64 2k3f h LEU 79 Cb 1.33 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 41.00 2k3f h LEU 79 CO 0.10 0.85 -0.00 0.11 -0.62 0.00 0.00 178.44 178.88 2k3f h LYS 80 N 1.13 0.00 -0.47 1.25 1.57 -0.94 0.57 116.57 119.68 2k3f h LYS 80 Ca 0.28 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 2k3f h LYS 80 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2k3f h LYS 80 CO -0.04 0.00 0.20 -0.22 -0.57 0.00 0.00 179.45 178.83 2k3f h LYS 81 N 0.00 0.69 0.05 3.15 1.63 -0.43 -3.29 116.57 118.37 2k3f h LYS 81 Ca -0.00 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 59.68 2k3f h LYS 81 Cb 0.12 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2k3f h LYS 81 CO 0.00 0.61 -0.02 0.00 -3.45 0.00 0.00 179.45 176.59 2k3f h ALA 82 N 1.05 -0.07 -2.05 5.00 0.00 -1.36 -3.45 119.26 118.39 2k3f h ALA 82 Ca 0.16 -0.31 -0.57 0.00 0.00 0.00 0.00 54.91 54.20 2k3f h ALA 82 Cb 0.16 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2k3f h ALA 82 CO -0.02 -0.12 1.00 0.00 0.00 0.00 0.00 179.25 180.12 2k3f s ALA 83 N -2.92 3.44 -1.23 0.00 0.00 0.19 -4.86 121.76 116.39 2k3f s ALA 83 Ca -0.13 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.21 2k3f s ALA 83 Cb -0.01 -3.75 0.11 0.00 0.00 0.00 0.00 23.12 19.47 2k3f s ALA 83 CO 0.50 -1.64 0.80 0.41 0.00 0.00 0.00 175.76 175.84 2k3f n GLY 84 N 4.21 1.05 3.56 0.00 0.00 -1.26 -4.26 105.19 108.48 2k3f n GLY 84 Ca 0.16 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 2k3f n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k3f s ILE 85 N -1.44 3.38 -0.39 -0.61 -4.36 -1.26 -4.63 121.20 111.88 2k3f s ILE 85 Ca 0.08 -0.27 0.10 0.00 -0.26 0.00 0.00 60.65 60.29 2k3f s ILE 85 Cb 0.05 -3.85 0.40 0.00 1.25 0.00 0.00 42.46 40.31 2k3f s ILE 85 CO 0.03 -0.81 1.32 -1.84 0.24 0.00 0.00 174.94 173.89 2k3f n GLU 86 N 8.88 1.20 -0.54 0.37 0.28 -1.26 -4.91 120.64 124.65 2k3f n GLU 86 Ca 0.39 -1.95 -0.02 0.00 -0.16 0.00 0.00 57.16 55.43 2k3f n GLU 86 Cb 0.47 -0.15 -0.02 0.00 1.43 0.00 0.00 31.44 33.17 2k3f n GLU 86 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2k3f n LYS 87 N -0.56 0.00 -1.34 3.44 2.85 -1.26 -5.03 118.16 116.26 2k3f n LYS 87 Ca -0.02 -0.24 0.00 0.00 -1.05 0.00 0.00 58.31 57.00 2k3f n LYS 87 Cb 0.85 0.15 0.00 0.00 -0.65 0.00 0.00 35.03 35.38 2k3f n LYS 87 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2k3f n GLY 88 N 0.00 0.50 3.86 2.58 0.00 -1.26 -4.57 105.19 106.30 2k3f n GLY 88 Ca -0.07 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.54 -4.73 -4.65 1.61 7.64 -1.26 -4.89 113.62 106.80 2k3f n SER 89 Ca 0.00 -1.05 -0.43 0.00 1.01 0.00 0.00 58.87 58.40 2k3f n SER 89 Cb 0.33 -1.87 -0.02 0.00 -1.01 0.00 0.00 64.21 61.64 2k3f n SER 89 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2k3f s SER 90 N -3.19 7.00 0.00 6.43 1.04 -1.26 -4.69 113.70 119.03 2k3f s SER 90 Ca 0.19 1.20 0.00 0.00 0.48 0.00 0.00 55.95 57.82 2k3f s SER 90 Cb -0.10 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.49 2k3f s SER 90 CO 0.92 -0.75 0.00 1.21 0.98 0.00 0.00 173.24 175.60 2k3f n GLU 91 N 6.53 0.00 -2.79 4.02 2.13 -1.26 -5.00 120.64 124.27 2k3f n GLU 91 Ca 0.11 0.37 -0.43 0.00 0.66 0.00 0.00 57.16 57.87 2k3f n GLU 91 Cb 0.47 -0.74 -0.04 0.00 0.27 0.00 0.00 31.44 31.40 2k3f n GLU 91 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2k3f s PRO 92 N -0.73 3.64 0.00 5.31 0.05 -1.26 -4.85 135.00 137.16 2k3f s PRO 92 Ca 0.00 0.32 0.00 0.00 0.05 0.00 0.00 61.00 61.37 2k3f s PRO 92 Cb 0.00 -3.89 0.00 0.00 0.05 0.00 0.00 34.50 30.66 2k3f s PRO 92 CO 0.00 -1.16 0.00 1.63 0.05 0.00 0.00 177.00 177.52 2k3f n LYS 93 N 7.13 2.01 -0.04 4.56 4.76 -1.15 -4.94 118.16 130.48 2k3f n LYS 93 Ca 0.07 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.49 2k3f n LYS 93 Cb 0.48 0.00 0.22 0.00 -1.84 0.00 0.00 35.03 33.90 2k3f n LYS 93 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k3f h ARG 94 N 0.00 0.62 0.00 1.97 2.47 -2.02 -3.39 114.38 114.03 2k3f h ARG 94 Ca 0.00 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 2k3f h ARG 94 Cb 0.00 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 2k3f h ARG 94 CO 0.00 0.68 0.00 0.36 0.56 0.00 0.00 179.97 181.57 2k3f n LYS 95 N -4.22 0.00 -3.26 0.04 2.85 -1.26 -5.16 118.16 107.15 2k3f n LYS 95 Ca 0.02 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.16 2k3f n LYS 95 Cb 0.30 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.64 2k3f n LYS 95 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 2k3f n ILE 96 N 0.00 0.00 0.01 0.58 -5.35 -1.26 -4.72 119.36 108.62 2k3f n ILE 96 Ca 0.00 -1.34 0.00 0.00 -0.27 0.00 0.00 62.75 61.14 2k3f n ILE 96 Cb 0.21 0.63 0.00 0.00 -1.74 0.00 0.00 39.64 38.74 2k3f n ILE 96 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 2k3f n VAL 97 N -0.38 0.00 -3.70 7.28 3.14 0.13 -2.95 118.33 121.84 2k3f n VAL 97 Ca 0.03 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.09 2k3f n VAL 97 Cb 0.34 -0.10 -0.05 0.00 -1.06 0.00 0.00 33.84 32.97 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 -2.59 2.23 -0.04 7.55 0.00 -0.99 -4.83 107.32 108.65 2k3f s GLY 98 Ca 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 44.72 44.08 2k3f s GLY 98 CO 0.00 -0.52 0.13 1.25 0.00 0.00 0.00 173.10 173.96 2k3f s LYS 99 N -2.61 0.20 0.00 2.90 2.20 -1.26 -1.07 119.74 120.09 2k3f s LYS 99 Ca 0.40 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 56.10 2k3f s LYS 99 Cb -0.12 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 2k3f s LYS 99 CO 0.25 -0.03 0.00 1.33 -0.36 0.00 0.00 175.35 176.54 2k3f n VAL 100 N 2.78 0.00 -3.62 4.02 0.24 -0.73 -4.76 118.33 116.27 2k3f n VAL 100 Ca -0.14 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.04 2k3f n VAL 100 Cb 0.59 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.89 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 -0.48 0.00 0.55 3.34 -1.32 -1.26 0.63 115.64 117.10 2k3f s THR 101 Ca 0.00 0.00 0.43 0.00 -1.21 0.00 0.00 61.69 60.91 2k3f s THR 101 Cb 0.00 -1.00 0.64 0.00 -1.51 0.00 0.00 72.50 70.63 2k3f s THR 101 CO 0.00 0.00 1.68 0.08 -2.21 0.00 0.00 174.62 174.17 2k3f h ARG 102 N 4.29 0.00 -0.49 7.08 -0.00 -1.85 0.46 114.38 123.88 2k3f h ARG 102 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.71 2k3f h ARG 102 Cb 1.16 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.11 2k3f h ARG 102 CO 0.13 0.00 0.32 -0.22 -0.00 0.00 0.00 179.97 180.19 2k3f h LYS 103 N 0.00 0.64 -0.41 0.08 1.63 -1.96 -1.49 116.57 115.06 2k3f h LYS 103 Ca 0.74 -0.04 0.05 0.00 -0.85 0.00 0.00 60.65 60.55 2k3f h LYS 103 Cb 3.02 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 34.46 2k3f h LYS 103 CO -0.01 0.43 0.15 -0.56 -3.45 0.00 0.00 179.45 176.02 2k3f h GLN 104 N 0.66 0.32 -0.79 1.90 -0.00 -0.49 -0.13 115.11 116.56 2k3f h GLN 104 Ca 0.18 -0.02 0.15 0.00 -0.00 0.00 0.00 58.65 58.96 2k3f h GLN 104 Cb -0.07 -0.07 -0.15 0.00 -0.00 0.00 0.00 27.48 27.19 2k3f h GLN 104 CO -0.04 0.21 -0.25 0.82 -0.00 0.00 0.00 178.83 179.57 2k3f h ILE 105 N 0.32 0.16 -0.02 1.86 5.03 -1.36 -1.58 117.51 121.93 2k3f h ILE 105 Ca 0.19 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.96 2k3f h ILE 105 Cb 0.16 0.16 -0.05 0.00 -3.03 0.00 0.00 36.82 34.06 2k3f h ILE 105 CO -0.18 0.00 -0.34 -0.08 -0.68 0.00 0.00 178.15 176.87 2k3f h GLU 106 N -0.03 -0.46 0.09 2.37 4.81 0.01 0.76 114.58 122.13 2k3f h GLU 106 Ca 0.36 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.64 2k3f h GLU 106 Cb 0.59 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.03 2k3f h GLU 106 CO -0.83 -0.31 -0.41 0.93 -0.73 0.00 0.00 179.01 177.67 2k3f h GLU 107 N -0.48 -0.60 -0.38 1.92 4.39 -0.80 0.56 114.58 119.20 2k3f h GLU 107 Ca 0.06 0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.88 2k3f h GLU 107 Cb 0.57 0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 29.29 2k3f h GLU 107 CO -0.29 -0.40 -0.12 0.82 -1.16 0.00 0.00 179.01 177.87 2k3f h ILE 108 N -0.62 0.58 -0.97 3.13 1.08 -1.02 0.17 117.51 119.84 2k3f h ILE 108 Ca 0.03 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.65 2k3f h ILE 108 Cb 0.66 0.58 -0.09 0.00 -3.07 0.00 0.00 36.82 34.90 2k3f h ILE 108 CO -0.25 0.00 0.61 0.00 -0.69 0.00 0.00 178.15 177.82 2k3f h ALA 109 N 1.32 1.68 0.01 1.87 0.00 0.17 -1.94 119.26 122.37 2k3f h ALA 109 Ca 0.18 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2k3f h ALA 109 Cb 0.31 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2k3f h ALA 109 CO -0.41 0.04 -0.01 0.87 0.00 0.00 0.00 179.25 179.75 2k3f h LYS 110 N 0.83 -0.02 -0.92 0.00 1.57 0.13 -2.25 116.57 115.90 2k3f h LYS 110 Ca 0.51 0.00 0.23 0.00 -1.87 0.00 0.00 60.65 59.52 2k3f h LYS 110 Cb 0.70 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.95 2k3f h LYS 110 CO -0.28 0.58 0.62 1.15 -0.57 0.00 0.00 179.45 180.95 2k3f h THR 111 N -0.64 0.63 -0.03 -0.16 2.02 -0.32 -1.76 112.91 112.65 2k3f h THR 111 Ca -0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2k3f h THR 111 Cb 0.61 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 2k3f h THR 111 CO 0.00 0.06 0.00 0.29 0.37 0.00 0.00 175.52 176.24 2k3f n LYS 112 N -4.47 1.87 -0.21 6.66 5.02 -0.77 -4.72 118.16 121.54 2k3f n LYS 112 Ca 0.20 -2.31 0.02 0.00 -2.02 0.00 0.00 58.31 54.20 2k3f n LYS 112 Cb 0.79 -1.39 0.12 0.00 -0.02 0.00 0.00 35.03 34.53 2k3f n LYS 112 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 2k3f h MET 113 N 0.17 0.21 -0.09 1.97 4.05 -0.68 -0.09 114.93 120.47 2k3f h MET 113 Ca 0.00 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.43 2k3f h MET 113 Cb 0.90 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.64 2k3f h MET 113 CO 0.02 0.14 0.13 -1.00 0.23 0.00 0.00 176.91 176.42 2k3f h PRO 114 N 0.22 0.00 0.00 0.39 0.13 -1.84 -2.92 132.00 127.98 2k3f h PRO 114 Ca 0.33 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 65.13 2k3f h PRO 114 Cb 0.53 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.61 2k3f h PRO 114 CO -0.46 0.00 -1.83 -0.25 -0.23 0.00 0.00 178.00 175.23 2k3f n ASP 115 N -3.67 1.91 -1.71 1.44 8.00 -0.64 -4.48 116.55 117.40 2k3f n ASP 115 Ca -0.01 0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.87 2k3f n ASP 115 Cb 0.22 -0.90 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 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 -4.34 1.38 -2.58 0.64 4.32 -0.14 -4.71 117.00 111.58 2k3f n LEU 116 Ca -0.42 -0.63 0.00 0.00 -0.02 0.00 0.00 56.01 54.94 2k3f n LEU 116 Cb 0.78 -0.29 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 2k3f n LEU 116 CO 0.12 0.26 0.00 -3.20 -1.22 0.00 0.00 177.39 173.35 2k3f n ASN 117 N 1.69 0.00 -4.58 -1.43 5.15 -1.25 -4.72 115.26 110.11 2k3f n ASN 117 Ca 0.00 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.55 2k3f n ASN 117 Cb 0.14 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.36 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 -3.16 3.07 0.23 5.20 0.00 -1.15 -4.84 121.76 121.12 2k3f s ALA 118 Ca 0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.17 2k3f s ALA 118 Cb 0.00 -3.94 0.24 0.00 0.00 0.00 0.00 23.12 19.41 2k3f s ALA 118 CO 0.00 -2.48 1.69 -0.91 0.00 0.00 0.00 175.76 174.06 2k3f h ASN 119 N 9.40 0.81 -4.36 0.00 -0.26 -1.91 -3.45 115.58 115.80 2k3f h ASN 119 Ca -0.24 -0.24 -0.11 0.00 -0.56 0.00 0.00 56.30 55.14 2k3f h ASN 119 Cb 1.06 -0.22 -0.22 0.00 -1.06 0.00 0.00 38.32 37.88 2k3f h ASN 119 CO 1.15 0.93 -0.20 -0.94 -1.06 0.00 0.00 177.43 177.31 2k3f s SER 120 N -6.68 -0.38 0.49 5.81 1.04 -1.26 -5.06 113.70 107.66 2k3f s SER 120 Ca -0.10 0.59 0.26 0.00 0.48 0.00 0.00 55.95 57.18 2k3f s SER 120 Cb 0.14 0.66 1.33 0.00 0.10 0.00 0.00 66.02 68.24 2k3f s SER 120 CO 0.83 -0.29 1.89 0.25 0.98 0.00 0.00 173.24 176.90 2k3f h LEU 121 N 4.70 0.14 -1.03 2.42 5.85 -1.95 0.13 115.31 125.58 2k3f h LEU 121 Ca -0.28 0.02 0.22 0.00 0.84 0.00 0.00 57.88 58.68 2k3f h LEU 121 Cb 1.18 -0.01 -0.11 0.00 0.37 0.00 0.00 40.66 42.08 2k3f h LEU 121 CO 0.31 0.06 0.61 -0.33 -0.34 0.00 0.00 178.44 178.74 2k3f h GLU 122 N 0.14 0.64 -0.03 1.25 5.08 -1.99 0.19 114.58 119.87 2k3f h GLU 122 Ca 0.41 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.73 2k3f h GLU 122 Cb 1.41 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 2k3f h GLU 122 CO -0.07 0.42 -0.00 0.00 -1.00 0.00 0.00 179.01 178.36 2k3f h ALA 123 N 1.68 0.04 -0.69 3.43 0.00 -1.15 -2.91 119.26 119.67 2k3f h ALA 123 Ca 0.61 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.44 2k3f h ALA 123 Cb 1.08 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 2k3f h ALA 123 CO -0.42 -0.27 0.46 0.00 0.00 0.00 0.00 179.25 179.02 2k3f h ALA 124 N 0.67 1.91 -0.57 0.00 0.00 -1.01 -2.14 119.26 118.12 2k3f h ALA 124 Ca 0.01 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 2k3f h ALA 124 Cb 0.36 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2k3f h ALA 124 CO 0.00 -0.06 0.29 0.52 0.00 0.00 0.00 179.25 180.00 2k3f h MET 125 N 0.55 0.53 -0.43 0.00 2.07 -0.53 -2.24 114.93 114.87 2k3f h MET 125 Ca 0.32 -0.03 -0.07 0.00 -2.07 0.00 0.00 59.70 57.85 2k3f h MET 125 Cb 0.52 -0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 30.11 2k3f h MET 125 CO -0.11 0.35 -0.02 1.57 1.07 0.00 0.00 176.91 179.77 2k3f h LYS 126 N 0.54 0.72 0.22 1.72 5.09 -1.23 -0.80 116.57 122.84 2k3f h LYS 126 Ca 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 60.65 60.80 2k3f h LYS 126 Cb 0.18 -0.08 -0.01 0.00 0.10 0.00 0.00 32.23 32.41 2k3f h LYS 126 CO -0.18 0.75 -0.26 0.82 -2.09 0.00 0.00 179.45 178.49 2k3f h ILE 127 N 0.67 0.00 -0.21 0.07 2.04 -1.28 -0.99 117.51 117.81 2k3f h ILE 127 Ca 0.13 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.05 2k3f h ILE 127 Cb 0.45 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.46 2k3f h ILE 127 CO 0.02 0.00 -0.29 0.40 0.00 0.00 0.00 178.15 178.28 2k3f h ILE 128 N -0.49 0.32 -0.63 -0.67 1.08 -1.21 0.81 117.51 116.72 2k3f h ILE 128 Ca -0.03 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.50 2k3f h ILE 128 Cb 0.43 0.32 -0.06 0.00 -3.07 0.00 0.00 36.82 34.44 2k3f h ILE 128 CO -0.05 0.00 0.33 1.05 -0.69 0.00 0.00 178.15 178.79 2k3f h GLU 129 N -0.32 0.59 -0.13 2.37 4.11 -1.20 0.28 114.58 120.28 2k3f h GLU 129 Ca 0.12 -0.04 -0.05 0.00 0.07 0.00 0.00 59.36 59.47 2k3f h GLU 129 Cb 0.51 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2k3f h GLU 129 CO -0.39 0.39 -0.10 0.78 0.07 0.00 0.00 179.01 179.76 2k3f h GLY 130 N 0.61 0.33 -0.43 1.06 0.00 0.03 0.42 103.07 105.09 2k3f h GLY 130 Ca 0.29 -0.32 0.05 0.00 0.00 0.00 0.00 47.33 47.34 2k3f h GLY 130 CO -0.19 0.29 -0.49 -0.84 0.00 0.00 0.00 176.54 175.30 2k3f h THR 131 N -0.07 0.00 -0.72 4.70 2.02 0.80 -0.59 112.91 119.04 2k3f h THR 131 Ca 0.02 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.36 2k3f h THR 131 Cb 0.61 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.91 2k3f h THR 131 CO 0.03 0.00 0.14 0.00 0.37 0.00 0.00 175.52 176.06 2k3f h ALA 132 N -0.13 0.89 -0.32 6.16 0.00 -0.13 0.19 119.26 125.92 2k3f h ALA 132 Ca 0.07 0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.23 2k3f h ALA 132 Cb 0.50 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 2k3f h ALA 132 CO -0.56 -0.35 -0.28 0.87 0.00 0.00 0.00 179.25 178.92 2k3f h LYS 133 N 0.23 -0.24 -0.10 0.00 1.57 0.70 0.25 116.57 118.99 2k3f h LYS 133 Ca 0.40 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 59.12 2k3f h LYS 133 Cb 0.69 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 2k3f h LYS 133 CO -0.52 -0.16 -0.32 0.77 -0.57 0.00 0.00 179.45 178.65 2k3f h SER 134 N -0.25 0.19 0.10 0.86 0.02 -0.02 -2.90 113.55 111.55 2k3f h SER 134 Ca 0.16 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2k3f h SER 134 Cb 0.50 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2k3f h SER 134 CO -0.46 0.50 0.00 0.23 -1.14 0.00 0.00 176.83 175.96 2k3f n MET 135 N -4.12 0.78 -1.93 3.45 2.81 0.57 -4.88 117.12 113.81 2k3f n MET 135 Ca -0.01 0.01 -0.02 0.00 -1.81 0.00 0.00 57.70 55.86 2k3f n MET 135 Cb 0.40 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.41 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 0.81 0.30 3.48 3.03 0.00 -0.53 -4.77 105.19 107.52 2k3f n GLY 136 Ca 0.19 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.12 4.19 0.29 -0.61 1.09 0.74 0.17 121.20 124.95 2k3f s ILE 137 Ca 0.00 -0.23 -0.13 0.00 -1.10 0.00 0.00 60.65 59.19 2k3f s ILE 137 Cb 0.00 -2.90 -0.08 0.00 -1.06 0.00 0.00 42.46 38.41 2k3f s ILE 137 CO 0.00 0.41 0.68 -1.83 -0.10 0.00 0.00 174.94 174.10 2k3f s GLU 138 N 1.00 3.94 -0.05 2.79 -1.05 -0.23 -3.90 118.70 121.21 2k3f s GLU 138 Ca 0.03 0.55 0.06 0.00 -0.15 0.00 0.00 54.97 55.45 2k3f s GLU 138 Cb -0.14 -2.51 -0.02 0.00 -0.44 0.00 0.00 34.13 31.03 2k3f s GLU 138 CO 0.02 0.21 -0.23 0.14 0.95 0.00 0.00 175.26 176.35 2k3f s VAL 139 N -1.92 2.25 -0.45 1.83 -7.23 -1.26 -1.78 120.40 111.84 2k3f s VAL 139 Ca 0.52 -1.01 0.07 0.00 -1.81 0.00 0.00 61.98 59.75 2k3f s VAL 139 Cb -0.11 -1.82 0.24 0.00 0.56 0.00 0.00 36.38 35.25 2k3f s VAL 139 CO 0.19 0.57 0.54 1.33 -0.31 0.00 0.00 175.10 177.42 2k3f n VAL 140 N 2.75 -0.11 0.00 1.32 0.24 0.20 -4.86 118.33 117.88 2k3f n VAL 140 Ca -0.17 -4.20 0.00 0.00 -2.04 0.00 0.00 64.34 57.93 2k3f n VAL 140 Cb 0.52 -1.96 0.00 0.00 -1.47 0.00 0.00 33.84 30.93 2k3f n VAL 140 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02