#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 1.97 -0.54 3.04 0.00 -1.26 -5.11 121.76 119.86 2k3f s ALA 2 Ca 0.00 -1.76 -0.20 0.00 0.00 0.00 0.00 51.96 50.00 2k3f s ALA 2 Cb 0.00 1.18 0.07 0.00 0.00 0.00 0.00 23.12 24.37 2k3f s ALA 2 CO 0.00 -0.52 0.69 0.15 0.00 0.00 0.00 175.76 176.08 2k3f s LYS 3 N -3.78 3.12 -0.09 0.00 1.02 -1.26 -5.03 119.74 113.72 2k3f s LYS 3 Ca 0.36 -0.94 -0.27 0.00 0.02 0.00 0.00 55.97 55.14 2k3f s LYS 3 Cb 0.05 -4.15 -0.02 0.00 -0.52 0.00 0.00 37.83 33.19 2k3f s LYS 3 CO 0.18 -1.36 0.86 0.15 -0.92 0.00 0.00 175.35 174.26 2k3f s LYS 4 N 2.85 4.42 0.34 1.68 1.02 -1.26 -4.97 119.74 123.82 2k3f s LYS 4 Ca 0.16 1.14 -0.29 0.00 0.02 0.00 0.00 55.97 57.00 2k3f s LYS 4 Cb -0.20 -3.51 -0.11 0.00 -0.52 0.00 0.00 37.83 33.50 2k3f s LYS 4 CO 0.11 -0.16 1.43 0.08 -0.92 0.00 0.00 175.35 175.89 2k3f s VAL 5 N 1.50 2.33 -0.05 3.17 1.01 -1.26 -0.59 120.40 126.51 2k3f s VAL 5 Ca 0.43 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.77 2k3f s VAL 5 Cb -0.18 -3.21 -0.06 0.00 0.00 0.00 0.00 36.38 32.93 2k3f s VAL 5 CO 0.19 0.07 0.00 0.00 0.00 0.00 0.00 175.10 175.36 2k3f n ALA 6 N 0.87 1.87 -3.45 5.51 0.00 0.38 -4.63 120.51 121.06 2k3f n ALA 6 Ca 0.02 -0.33 -0.16 0.00 0.00 0.00 0.00 53.44 52.97 2k3f n ALA 6 Cb 0.40 0.18 -0.05 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 -2.13 -1.62 -0.17 0.00 0.00 0.04 -5.00 121.76 112.89 2k3f s ALA 7 Ca -0.04 0.98 -0.10 0.00 0.00 0.00 0.00 51.96 52.80 2k3f s ALA 7 Cb 0.02 0.26 -0.05 0.00 0.00 0.00 0.00 23.12 23.35 2k3f s ALA 7 CO 0.20 -0.48 0.15 -0.65 0.00 0.00 0.00 175.76 174.99 2k3f s GLN 8 N -1.97 3.97 -0.61 0.00 -1.52 -1.26 -0.00 119.66 118.28 2k3f s GLN 8 Ca -0.08 -0.15 0.04 0.00 -1.95 0.00 0.00 55.36 53.23 2k3f s GLN 8 Cb -0.01 -3.35 0.16 0.00 -0.22 0.00 0.00 33.01 29.60 2k3f s GLN 8 CO 0.03 0.44 0.42 0.42 -0.25 0.00 0.00 175.29 176.35 2k3f s ILE 9 N -0.07 2.25 -0.01 1.08 -1.09 0.18 -4.91 121.20 118.64 2k3f s ILE 9 Ca 0.11 -3.71 -0.30 0.00 -2.23 0.00 0.00 60.65 54.52 2k3f s ILE 9 Cb -0.12 -2.50 -0.03 0.00 -1.58 0.00 0.00 42.46 38.23 2k3f s ILE 9 CO 0.01 -1.01 1.05 -0.75 -1.23 0.00 0.00 174.94 173.01 2k3f s LYS 10 N -0.88 4.49 -0.26 2.79 2.20 -1.26 -0.67 119.74 126.15 2k3f s LYS 10 Ca 0.25 1.52 -0.16 0.00 -0.36 0.00 0.00 55.97 57.22 2k3f s LYS 10 Cb -0.07 -3.45 0.08 0.00 -1.51 0.00 0.00 37.83 32.87 2k3f s LYS 10 CO -0.14 -0.17 0.65 -1.17 -0.36 0.00 0.00 175.35 174.16 2k3f s LEU 11 N 1.28 -0.80 -0.15 5.43 2.96 -0.39 -4.95 118.68 122.06 2k3f s LEU 11 Ca 0.53 1.42 -0.21 0.00 -0.22 0.00 0.00 54.13 55.65 2k3f s LEU 11 Cb -0.23 2.25 -0.03 0.00 0.50 0.00 0.00 46.19 48.68 2k3f s LEU 11 CO 0.26 -0.23 0.64 -1.10 -1.32 0.00 0.00 176.35 174.60 2k3f s GLN 12 N 1.47 4.30 -0.02 1.98 -0.21 -1.26 -2.10 119.66 123.81 2k3f s GLN 12 Ca -0.09 0.68 -0.05 0.00 0.02 0.00 0.00 55.36 55.92 2k3f s GLN 12 Cb -0.05 -3.52 0.01 0.00 1.00 0.00 0.00 33.01 30.44 2k3f s GLN 12 CO -0.17 -0.10 0.12 -0.51 -2.12 0.00 0.00 175.29 172.51 2k3f s LEU 13 N 1.43 1.57 0.19 2.90 1.43 -0.31 -4.90 118.68 120.99 2k3f s LEU 13 Ca 0.31 0.01 -0.32 0.00 -1.03 0.00 0.00 54.13 53.10 2k3f s LEU 13 Cb -0.16 0.53 -0.11 0.00 0.03 0.00 0.00 46.19 46.47 2k3f s LEU 13 CO 0.12 -0.21 1.69 -2.84 0.23 0.00 0.00 176.35 175.35 2k3f s PRO 14 N -0.68 4.15 0.17 1.29 0.02 -1.20 0.10 135.00 138.85 2k3f s PRO 14 Ca -0.08 2.55 -0.32 0.00 0.02 0.00 0.00 61.00 63.18 2k3f s PRO 14 Cb -0.05 -3.13 -0.11 0.00 0.02 0.00 0.00 34.50 31.24 2k3f s PRO 14 CO 0.01 -0.73 1.67 0.00 -0.33 0.00 0.00 177.00 177.62 2k3f s ALA 15 N 1.27 3.84 0.00 -1.55 0.00 0.41 -0.63 121.76 125.10 2k3f s ALA 15 Ca 0.74 1.46 0.00 0.00 0.00 0.00 0.00 51.96 54.16 2k3f s ALA 15 Cb -0.48 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 18.97 2k3f s ALA 15 CO 0.32 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.58 2k3f n GLY 16 N 3.92 0.96 2.68 0.00 0.00 -1.25 -0.37 105.19 111.12 2k3f n GLY 16 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.01 0.28 -0.29 1.61 2.36 0.20 -4.96 119.74 118.93 2k3f s LYS 17 Ca 0.00 -0.30 -0.24 0.00 -2.55 0.00 0.00 55.97 52.88 2k3f s LYS 17 Cb 0.00 -0.85 0.14 0.00 -1.05 0.00 0.00 37.83 36.08 2k3f s LYS 17 CO 0.00 -1.03 1.15 0.00 1.55 0.00 0.00 175.35 177.02 2k3f s ALA 18 N 2.25 -2.07 0.07 3.13 0.00 -1.26 -3.26 121.76 120.63 2k3f s ALA 18 Ca 0.09 1.84 0.00 0.00 0.00 0.00 0.00 51.96 53.89 2k3f s ALA 18 Cb -0.15 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.42 2k3f s ALA 18 CO -0.34 -0.20 0.00 2.41 0.00 0.00 0.00 175.76 177.63 2k3f n THR 19 N 2.12 0.00 -4.14 0.00 -1.04 -1.26 -4.69 114.28 105.26 2k3f n THR 19 Ca -0.12 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.55 2k3f n THR 19 Cb 0.56 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.96 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 -1.31 3.85 0.00 -2.82 0.04 -1.24 -4.53 135.00 128.99 2k3f s PRO 20 Ca 0.00 -0.42 0.00 0.00 0.04 0.00 0.00 61.00 60.62 2k3f s PRO 20 Cb 0.00 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.43 2k3f s PRO 20 CO 0.00 0.24 0.00 0.00 0.04 0.00 0.00 177.00 177.28 2k3f n ALA 21 N 3.59 0.00 -0.38 8.56 0.00 -1.26 -2.37 120.51 128.65 2k3f n ALA 21 Ca -0.17 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.23 2k3f n ALA 21 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.29 -3.13 0.00 -0.02 -1.26 -0.30 135.00 130.00 2k3f n PRO 22 Ca 0.00 1.48 -0.41 0.00 -2.02 0.00 0.00 63.50 62.55 2k3f n PRO 22 Cb 0.00 -2.20 -0.07 0.00 -0.02 0.00 0.00 33.50 31.22 2k3f n PRO 22 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2k3f s PRO 23 N -5.79 3.78 0.00 0.52 0.04 -1.00 -4.73 135.00 127.83 2k3f s PRO 23 Ca -0.13 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.06 2k3f s PRO 23 Cb 0.17 -3.77 0.00 0.00 0.04 0.00 0.00 34.50 30.94 2k3f s PRO 23 CO 0.67 -0.64 0.00 0.28 0.04 0.00 0.00 177.00 177.35 2k3f n VAL 24 N 5.47 0.00 0.00 -0.36 0.31 -0.76 -3.60 118.33 119.38 2k3f n VAL 24 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2k3f n VAL 24 Cb 0.49 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 2k3f n VAL 24 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k3f n GLY 25 N 0.00 -3.07 0.37 2.92 0.00 0.59 -1.45 105.19 104.56 2k3f n GLY 25 Ca 0.00 0.35 0.15 0.00 0.00 0.00 0.00 46.02 46.52 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 0.39 0.00 1.61 0.11 -1.89 0.05 132.00 132.28 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 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 2k3f h PRO 26 CO 0.00 0.26 0.00 0.00 -0.21 0.00 0.00 178.00 178.05 2k3f n ALA 27 N -2.53 0.00 0.16 -0.75 0.00 -0.90 -2.77 120.51 113.71 2k3f n ALA 27 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.59 2k3f n ALA 27 Cb 0.50 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.17 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 -0.51 0.00 -0.00 -1.35 -3.27 115.31 110.18 2k3f h LEU 28 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.74 2k3f h LEU 28 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 2k3f h LEU 28 CO 0.00 0.52 -0.27 1.23 -0.00 0.00 0.00 178.44 179.92 2k3f h GLY 29 N 2.06 1.01 2.00 0.17 0.00 -1.06 -0.28 103.07 106.96 2k3f h GLY 29 Ca -0.01 -0.93 0.00 0.00 0.00 0.00 0.00 47.33 46.40 2k3f h GLY 29 CO 0.07 0.84 0.00 -1.06 0.00 0.00 0.00 176.54 176.39 2k3f n GLN 30 N -4.09 0.09 -0.80 4.80 6.02 -1.12 0.07 117.38 122.36 2k3f n GLN 30 Ca -0.01 0.45 0.08 0.00 -0.01 0.00 0.00 57.00 57.52 2k3f n GLN 30 Cb 0.48 -1.73 0.39 0.00 1.02 0.00 0.00 30.24 30.40 2k3f n GLN 30 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2k3f n HIS 31 N -1.91 1.87 -0.42 1.08 8.25 -0.20 -4.90 115.22 118.99 2k3f n HIS 31 Ca 0.01 -0.70 0.00 0.00 -0.26 0.00 0.00 57.72 56.78 2k3f n HIS 31 Cb 0.12 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 30.80 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 0.77 0.73 3.83 -1.41 0.00 0.11 -4.80 105.19 104.41 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 -2.68 4.59 -0.57 1.61 1.01 -0.72 -4.82 120.40 118.82 2k3f s VAL 33 Ca 0.00 1.18 -0.27 0.00 0.00 0.00 0.00 61.98 62.90 2k3f s VAL 33 Cb 0.00 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2k3f s VAL 33 CO 0.00 0.05 1.91 0.20 0.00 0.00 0.00 175.10 177.26 2k3f s ASN 34 N -1.89 5.24 0.29 3.32 0.01 -1.26 -3.96 114.94 116.69 2k3f s ASN 34 Ca 0.48 0.50 0.03 0.00 -0.71 0.00 0.00 52.86 53.17 2k3f s ASN 34 Cb -0.14 -2.53 0.64 0.00 0.41 0.00 0.00 41.25 39.63 2k3f s ASN 34 CO 0.20 -2.37 1.81 0.40 -1.51 0.00 0.00 177.10 175.63 2k3f h ILE 35 N 6.96 0.83 -0.20 0.60 1.08 -1.93 0.11 117.51 124.96 2k3f h ILE 35 Ca -0.26 -0.31 -0.02 0.00 -0.39 0.00 0.00 64.86 63.88 2k3f h ILE 35 Cb 1.17 -0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.77 2k3f h ILE 35 CO 1.19 0.16 0.06 0.24 -0.69 0.00 0.00 178.15 179.12 2k3f h MET 36 N 0.90 0.31 -0.58 2.37 2.86 -1.88 0.60 114.93 119.50 2k3f h MET 36 Ca 0.53 -0.07 0.05 0.00 -2.06 0.00 0.00 59.70 58.16 2k3f h MET 36 Cb 0.67 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.23 2k3f h MET 36 CO -0.31 0.41 0.30 1.49 1.06 0.00 0.00 176.91 179.86 2k3f h GLU 37 N 0.15 0.56 0.59 1.72 4.57 -1.75 0.23 114.58 120.65 2k3f h GLU 37 Ca 0.06 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 2k3f h GLU 37 Cb 0.23 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 2k3f h GLU 37 CO -0.00 0.37 -0.51 0.35 -1.18 0.00 0.00 179.01 178.04 2k3f h PHE 38 N 0.57 -1.39 -0.07 0.92 3.57 -0.23 -1.50 116.94 118.81 2k3f h PHE 38 Ca 0.26 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 2k3f h PHE 38 Cb 0.18 0.53 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 2k3f h PHE 38 CO -0.10 -0.70 0.04 0.00 -2.23 0.00 0.00 178.31 175.33 2k3f h LYS 40 N 0.03 0.00 0.20 0.00 1.79 -0.63 0.14 116.57 118.10 2k3f h LYS 40 Ca 0.03 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2k3f h LYS 40 Cb 0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 2k3f h LYS 40 CO -0.00 0.04 -0.10 0.00 -1.08 0.00 0.00 179.45 178.31 2k3f h ARG 41 N 0.00 -0.26 -0.55 3.15 3.08 -0.17 -3.19 114.38 116.44 2k3f h ARG 41 Ca -0.00 0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.16 2k3f h ARG 41 Cb 0.31 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.34 2k3f h ARG 41 CO 0.00 -0.17 0.12 0.35 -1.07 0.00 0.00 179.97 179.21 2k3f h PHE 42 N -0.54 0.20 0.28 3.04 3.57 0.60 0.39 116.94 124.49 2k3f h PHE 42 Ca -0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2k3f h PHE 42 Cb 0.21 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.94 2k3f h PHE 42 CO 0.05 -0.01 -0.14 -0.91 -2.23 0.00 0.00 178.31 175.08 2k3f h ASN 43 N 0.26 -0.32 -0.81 0.41 -0.26 -0.92 0.39 115.58 114.33 2k3f h ASN 43 Ca 0.28 0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.99 2k3f h ASN 43 Cb 0.40 0.08 -0.04 0.00 -1.06 0.00 0.00 38.32 37.70 2k3f h ASN 43 CO -0.36 -0.23 0.33 0.00 -1.06 0.00 0.00 177.43 176.12 2k3f h ALA 44 N 0.34 1.06 -0.33 -0.83 0.00 -1.28 -1.35 119.26 116.88 2k3f h ALA 44 Ca -0.04 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 2k3f h ALA 44 Cb 0.29 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2k3f h ALA 44 CO 0.06 0.67 -0.32 0.93 0.00 0.00 0.00 179.25 180.59 2k3f h GLU 45 N 1.17 0.71 -0.02 0.00 5.08 -0.56 -3.08 114.58 117.89 2k3f h GLU 45 Ca 0.27 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2k3f h GLU 45 Cb 0.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2k3f h GLU 45 CO -0.02 0.94 0.00 0.25 -1.00 0.00 0.00 179.01 179.17 2k3f n THR 46 N -4.07 0.01 -0.35 1.13 -2.24 0.13 -4.35 114.28 104.54 2k3f n THR 46 Ca -0.01 -0.23 0.25 0.00 -2.27 0.00 0.00 64.05 61.79 2k3f n THR 46 Cb 0.48 0.41 0.50 0.00 -2.10 0.00 0.00 70.33 69.62 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 4.31 2.14 0.01 6.98 0.00 -1.15 -0.14 119.26 131.41 2k3f h ALA 47 Ca 0.00 0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.81 2k3f h ALA 47 Cb 0.46 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.36 2k3f h ALA 47 CO 0.00 -0.68 -0.97 -0.44 0.00 0.00 0.00 179.25 177.15 2k3f h ASP 48 N 0.34 0.60 -0.68 0.00 3.32 -1.84 -3.16 116.42 115.00 2k3f h ASP 48 Ca 0.70 -0.49 -0.15 0.00 0.02 0.00 0.00 57.03 57.11 2k3f h ASP 48 Cb 1.72 -0.19 -0.09 0.00 0.22 0.00 0.00 39.33 41.00 2k3f h ASP 48 CO -0.47 1.29 0.19 0.29 -1.72 0.00 0.00 179.24 178.82 2k3f n LYS 49 N -3.76 3.99 -1.60 3.56 5.02 -0.16 -5.00 118.16 120.21 2k3f n LYS 49 Ca -0.08 -3.11 -0.41 0.00 -2.02 0.00 0.00 58.31 52.69 2k3f n LYS 49 Cb 0.85 -2.22 0.01 0.00 -0.02 0.00 0.00 35.03 33.65 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 0.02 0.07 -0.16 7.82 0.00 -0.61 -3.43 120.51 124.22 2k3f n ALA 50 Ca 0.37 0.23 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2k3f n ALA 50 Cb 1.33 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 1.22 0.91 2.74 0.00 0.00 0.50 -4.93 105.19 105.63 2k3f n GLY 51 Ca 0.10 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.32 0.18 -0.80 1.61 1.00 -1.22 -4.89 119.30 114.85 2k3f s MET 52 Ca 0.00 0.22 -0.25 0.00 0.00 0.00 0.00 55.69 55.66 2k3f s MET 52 Cb 0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 34.83 34.17 2k3f s MET 52 CO 0.00 -0.26 2.14 0.42 0.00 0.00 0.00 175.02 177.32 2k3f s ILE 53 N 1.73 3.25 0.02 2.53 -1.09 -1.26 0.16 121.20 126.54 2k3f s ILE 53 Ca -0.00 -0.15 -0.29 0.00 -2.23 0.00 0.00 60.65 57.98 2k3f s ILE 53 Cb -0.13 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 2k3f s ILE 53 CO -0.03 -0.55 0.93 -0.76 -1.23 0.00 0.00 174.94 173.30 2k3f s LEU 54 N 11.80 4.40 -0.47 2.97 1.43 0.28 -4.74 118.68 134.35 2k3f s LEU 54 Ca 0.80 1.63 -0.28 0.00 -1.03 0.00 0.00 54.13 55.25 2k3f s LEU 54 Cb -0.10 -3.50 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 2k3f s LEU 54 CO 0.07 -0.18 1.64 -2.84 0.23 0.00 0.00 176.35 175.27 2k3f s PRO 55 N 0.66 3.22 0.10 1.29 0.02 -1.26 -1.17 135.00 137.85 2k3f s PRO 55 Ca 0.48 0.91 0.02 0.00 0.02 0.00 0.00 61.00 62.43 2k3f s PRO 55 Cb -0.21 -4.19 -0.04 0.00 0.02 0.00 0.00 34.50 30.08 2k3f s PRO 55 CO 0.27 -2.01 0.18 0.54 -0.33 0.00 0.00 177.00 175.64 2k3f s VAL 56 N 6.89 5.00 -0.12 3.83 0.11 -0.89 -0.67 120.40 134.55 2k3f s VAL 56 Ca 0.67 -0.65 -0.02 0.00 -2.93 0.00 0.00 61.98 59.05 2k3f s VAL 56 Cb -0.16 -3.48 0.04 0.00 -1.53 0.00 0.00 36.38 31.26 2k3f s VAL 56 CO 0.28 0.06 0.00 -0.69 -3.33 0.00 0.00 175.10 171.42 2k3f s VAL 57 N -1.55 0.52 -0.05 2.04 1.01 -0.29 -1.26 120.40 120.81 2k3f s VAL 57 Ca 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 2k3f s VAL 57 Cb -0.12 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 2k3f s VAL 57 CO 0.26 0.12 0.07 -0.63 0.00 0.00 0.00 175.10 174.92 2k3f s ILE 58 N 1.90 4.77 -0.39 2.22 1.01 0.15 -0.27 121.20 130.59 2k3f s ILE 58 Ca 0.03 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.47 2k3f s ILE 58 Cb -0.14 -3.11 0.11 0.00 0.01 0.00 0.00 42.46 39.34 2k3f s ILE 58 CO -0.06 0.49 0.15 -0.89 0.00 0.00 0.00 174.94 174.62 2k3f s THR 59 N -1.07 1.63 0.02 2.92 2.01 0.15 0.52 115.64 121.81 2k3f s THR 59 Ca 0.18 -2.25 -0.19 0.00 0.31 0.00 0.00 61.69 59.74 2k3f s THR 59 Cb -0.12 -2.18 -0.06 0.00 0.01 0.00 0.00 72.50 70.16 2k3f s THR 59 CO 0.08 -0.74 0.55 0.54 -0.69 0.00 0.00 174.62 174.36 2k3f s VAL 60 N 0.79 4.87 0.68 3.82 0.11 0.99 -1.99 120.40 129.68 2k3f s VAL 60 Ca 0.13 1.15 0.04 0.00 -2.93 0.00 0.00 61.98 60.37 2k3f s VAL 60 Cb -0.21 -3.87 0.12 0.00 -1.53 0.00 0.00 36.38 30.89 2k3f s VAL 60 CO -0.10 0.49 0.94 -0.31 -3.33 0.00 0.00 175.10 172.79 2k3f s TYR 61 N -0.66 1.27 0.46 1.54 2.02 0.51 0.14 117.35 122.63 2k3f s TYR 61 Ca 0.29 -0.54 0.20 0.00 -0.37 0.00 0.00 57.07 56.65 2k3f s TYR 61 Cb -0.18 -2.64 1.18 0.00 -0.40 0.00 0.00 41.96 39.92 2k3f s TYR 61 CO 0.17 -1.59 1.91 0.93 -1.57 0.00 0.00 175.55 175.40 2k3f h GLU 62 N -0.29 0.28 -0.00 -0.62 4.39 -1.11 -1.98 114.58 115.25 2k3f h GLU 62 Ca -0.32 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2k3f h GLU 62 Cb 1.27 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2k3f h GLU 62 CO 0.39 0.18 -0.04 -3.47 -1.16 0.00 0.00 179.01 174.91 2k3f n ASP 63 N -4.44 0.05 0.00 1.42 2.03 -1.26 -4.81 116.55 109.54 2k3f n ASP 63 Ca 0.16 0.37 0.00 0.00 0.52 0.00 0.00 54.79 55.84 2k3f n ASP 63 Cb 0.66 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 2k3f n ASP 63 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k3f n LYS 64 N -1.47 0.00 -1.26 -0.67 4.01 -0.74 -5.05 118.16 112.97 2k3f n LYS 64 Ca 0.08 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.59 2k3f n LYS 64 Cb 0.33 -2.65 0.18 0.00 -0.51 0.00 0.00 35.03 32.39 2k3f n LYS 64 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2k3f s SER 65 N -2.34 2.41 0.11 4.39 0.01 -1.26 -4.33 113.70 112.70 2k3f s SER 65 Ca 0.00 0.96 -0.14 0.00 1.31 0.00 0.00 55.95 58.08 2k3f s SER 65 Cb 0.00 -1.49 0.05 0.00 0.21 0.00 0.00 66.02 64.79 2k3f s SER 65 CO 0.00 -3.24 0.66 2.22 0.41 0.00 0.00 173.24 173.29 2k3f n PHE 66 N -4.22 -1.06 -3.74 2.43 -1.74 -1.26 -0.36 117.46 107.51 2k3f n PHE 66 Ca 0.07 -0.80 -0.09 0.00 -0.56 0.00 0.00 57.45 56.08 2k3f n PHE 66 Cb 0.58 0.39 -0.03 0.00 1.52 0.00 0.00 39.48 41.95 2k3f n PHE 66 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 2k3f s THR 67 N -2.24 0.00 0.07 1.97 -4.23 -0.84 -4.93 115.64 105.44 2k3f s THR 67 Ca 0.15 -0.75 -0.26 0.00 -1.18 0.00 0.00 61.69 59.64 2k3f s THR 67 Cb -0.02 -1.70 0.08 0.00 1.34 0.00 0.00 72.50 72.20 2k3f s THR 67 CO 0.03 -0.02 0.67 0.72 -0.54 0.00 0.00 174.62 175.48 2k3f s PHE 68 N -3.88 -0.55 0.37 3.99 -0.71 -1.26 0.29 117.98 116.24 2k3f s PHE 68 Ca 0.09 0.55 0.08 0.00 -1.04 0.00 0.00 56.93 56.61 2k3f s PHE 68 Cb -0.04 0.51 -0.06 0.00 -1.21 0.00 0.00 43.02 42.23 2k3f s PHE 68 CO 0.01 -0.73 0.05 0.42 -1.34 0.00 0.00 175.22 173.62 2k3f s ILE 69 N -2.88 2.40 -0.14 -4.49 1.01 0.62 -4.90 121.20 112.81 2k3f s ILE 69 Ca -0.02 -1.92 -0.04 0.00 0.00 0.00 0.00 60.65 58.67 2k3f s ILE 69 Cb -0.01 -2.88 0.06 0.00 0.01 0.00 0.00 42.46 39.64 2k3f s ILE 69 CO -0.06 -0.11 0.14 -0.63 0.00 0.00 0.00 174.94 174.28 2k3f s ILE 70 N -2.58 -0.20 -0.67 2.92 1.01 -1.26 -1.14 121.20 119.28 2k3f s ILE 70 Ca 0.36 0.08 -0.26 0.00 0.00 0.00 0.00 60.65 60.83 2k3f s ILE 70 Cb 0.03 -0.46 -0.01 0.00 0.01 0.00 0.00 42.46 42.03 2k3f s ILE 70 CO 0.20 -0.08 1.72 -0.54 0.00 0.00 0.00 174.94 176.24 2k3f s LYS 71 N 2.23 2.77 0.37 2.79 -0.14 0.15 -4.82 119.74 123.10 2k3f s LYS 71 Ca 0.04 0.32 0.06 0.00 -1.36 0.00 0.00 55.97 55.03 2k3f s LYS 71 Cb -0.14 -4.40 0.72 0.00 -1.68 0.00 0.00 37.83 32.33 2k3f s LYS 71 CO -0.08 -2.63 1.95 0.00 -0.76 0.00 0.00 175.35 173.83 2k3f h THR 72 N 6.71 1.16 -1.00 2.17 1.03 -1.92 -3.37 112.91 117.69 2k3f h THR 72 Ca -0.23 -0.57 0.33 0.00 -0.01 0.00 0.00 66.41 65.93 2k3f h THR 72 Cb 1.12 0.83 -0.18 0.00 -1.07 0.00 0.00 68.15 68.85 2k3f h THR 72 CO 1.24 0.21 0.24 1.55 -0.01 0.00 0.00 175.52 178.74 2k3f h PRO 73 N 0.48 0.01 -1.69 0.00 0.13 -1.88 -2.72 132.00 126.34 2k3f h PRO 73 Ca 0.11 -0.00 0.49 0.00 -0.87 0.00 0.00 66.00 65.73 2k3f h PRO 73 Cb 0.20 -0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.26 2k3f h PRO 73 CO -0.00 0.00 1.24 -2.30 -0.23 0.00 0.00 178.00 176.72 2k3f n PRO 74 N -5.39 0.00 0.00 1.56 -0.02 -1.26 -4.73 135.00 125.16 2k3f n PRO 74 Ca 0.29 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.72 2k3f n PRO 74 Cb 0.98 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 2k3f n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k3f n ALA 75 N -2.77 0.00 -0.35 3.55 0.00 -1.03 -4.64 120.51 115.28 2k3f n ALA 75 Ca 0.38 0.00 0.25 0.00 0.00 0.00 0.00 53.44 54.07 2k3f n ALA 75 Cb 1.75 0.00 0.52 0.00 0.00 0.00 0.00 19.45 21.72 2k3f n ALA 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k3f h SER 76 N 0.00 0.44 -0.40 0.00 0.87 -1.88 0.13 113.55 112.70 2k3f h SER 76 Ca 0.00 0.11 0.07 0.00 -1.23 0.00 0.00 61.79 60.74 2k3f h SER 76 Cb 0.00 0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 61.92 2k3f h SER 76 CO 0.00 0.01 -0.42 -0.26 -0.53 0.00 0.00 176.83 175.63 2k3f h PHE 77 N 0.35 -1.21 0.00 2.24 0.04 -1.91 0.39 116.94 116.84 2k3f h PHE 77 Ca 0.66 0.07 0.00 0.00 2.80 0.00 0.00 57.97 61.50 2k3f h PHE 77 Cb 1.70 0.59 0.00 0.00 2.20 0.00 0.00 35.95 40.44 2k3f h PHE 77 CO -0.00 -0.44 -1.74 1.28 -0.60 0.00 0.00 178.31 176.81 2k3f n LEU 78 N -5.42 0.23 -0.09 1.54 4.32 -0.45 -3.22 117.00 113.90 2k3f n LEU 78 Ca -0.01 -0.01 -0.03 0.00 -0.02 0.00 0.00 56.01 55.94 2k3f n LEU 78 Cb 0.35 -0.01 0.19 0.00 -1.62 0.00 0.00 43.42 42.32 2k3f n LEU 78 CO 0.05 0.01 0.90 0.25 -1.22 0.00 0.00 177.39 177.37 2k3f h LEU 79 N 0.00 0.72 -0.73 2.23 5.85 -0.62 -0.55 115.31 122.21 2k3f h LEU 79 Ca 0.00 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 2k3f h LEU 79 Cb 0.94 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 2k3f h LEU 79 CO 0.00 0.78 0.22 0.11 -0.34 0.00 0.00 178.44 179.21 2k3f h LYS 80 N 0.71 1.14 -1.94 1.25 1.57 -0.98 0.56 116.57 118.87 2k3f h LYS 80 Ca 0.14 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2k3f h LYS 80 Cb 0.41 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2k3f h LYS 80 CO 0.02 0.98 0.00 1.63 -0.57 0.00 0.00 179.45 181.50 2k3f n LYS 81 N -4.27 0.10 0.00 3.15 4.76 -0.22 0.47 118.16 122.16 2k3f n LYS 81 Ca 0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 2k3f n LYS 81 Cb 0.23 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 2k3f n LYS 81 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k3f n ALA 82 N 1.31 0.00 -0.25 7.82 0.00 -1.15 -4.88 120.51 123.35 2k3f n ALA 82 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2k3f n ALA 82 Cb 0.05 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.55 2k3f n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k3f h ALA 83 N 0.00 0.90 0.00 0.00 0.00 0.35 -3.40 119.26 117.11 2k3f h ALA 83 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k3f h ALA 83 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2k3f h ALA 83 CO 0.00 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.12 2k3f n GLY 84 N -0.98 3.45 3.76 0.00 0.00 0.18 -3.60 105.19 108.00 2k3f n GLY 84 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.80 2.07 0.00 -0.61 -4.36 -1.26 -4.90 121.20 109.35 2k3f s ILE 85 Ca 0.00 0.06 0.00 0.00 -0.26 0.00 0.00 60.65 60.45 2k3f s ILE 85 Cb 0.00 -3.04 0.00 0.00 1.25 0.00 0.00 42.46 40.67 2k3f s ILE 85 CO 0.00 0.01 0.66 -0.62 0.24 0.00 0.00 174.94 175.23 2k3f n GLU 86 N -0.28 0.00 0.13 0.37 -0.58 -1.26 -4.74 120.64 114.28 2k3f n GLU 86 Ca 0.06 -0.35 0.00 0.00 -0.42 0.00 0.00 57.16 56.44 2k3f n GLU 86 Cb 0.42 0.18 0.00 0.00 -0.57 0.00 0.00 31.44 31.47 2k3f n GLU 86 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2k3f n LYS 87 N 0.00 0.00 -1.71 3.49 3.00 -1.26 -5.18 118.16 116.50 2k3f n LYS 87 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 2k3f n LYS 87 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.59 2k3f n LYS 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k3f n GLY 88 N -1.27 -0.35 3.85 3.14 0.00 -1.26 -5.17 105.19 104.13 2k3f n GLY 88 Ca 0.00 -1.65 -0.07 0.00 0.00 0.00 0.00 46.02 44.30 2k3f n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3f s SER 89 N -1.98 -0.25 0.00 1.61 0.01 -1.26 -5.03 113.70 106.80 2k3f s SER 89 Ca 0.00 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.66 2k3f s SER 89 Cb 0.00 0.72 0.00 0.00 0.21 0.00 0.00 66.02 66.95 2k3f s SER 89 CO 0.00 -1.32 1.07 -1.54 0.41 0.00 0.00 173.24 171.86 2k3f n SER 90 N -0.46 3.02 -3.17 2.44 3.41 -1.26 -4.83 113.62 112.76 2k3f n SER 90 Ca -0.04 -1.76 -0.18 0.00 -0.26 0.00 0.00 58.87 56.63 2k3f n SER 90 Cb 0.59 -0.57 0.01 0.00 -0.26 0.00 0.00 64.21 63.97 2k3f n SER 90 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k3f n GLU 91 N 0.98 -1.04 -0.07 4.33 1.02 -1.26 -4.99 120.64 119.61 2k3f n GLU 91 Ca 0.00 0.57 -0.01 0.00 -0.02 0.00 0.00 57.16 57.70 2k3f n GLU 91 Cb 0.39 -1.38 0.01 0.00 -0.02 0.00 0.00 31.44 30.44 2k3f n GLU 91 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2k3f n PRO 92 N -1.48 -0.10 0.00 3.49 -0.02 -1.08 -4.47 135.00 131.35 2k3f n PRO 92 Ca -0.18 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.23 2k3f n PRO 92 Cb 0.45 -0.05 0.00 0.00 -0.02 0.00 0.00 33.50 33.87 2k3f n PRO 92 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2k3f n LYS 93 N -1.13 0.00 -1.40 -0.52 4.76 -1.26 -0.15 118.16 118.46 2k3f n LYS 93 Ca 0.01 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.05 2k3f n LYS 93 Cb 0.02 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.19 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 0.00 3.46 -2.21 1.97 0.63 -1.26 -4.38 116.66 114.87 2k3f n ARG 94 Ca 0.00 -2.28 -0.14 0.00 -0.92 0.00 0.00 57.85 54.52 2k3f n ARG 94 Cb 0.00 -2.91 -0.01 0.00 0.45 0.00 0.00 32.46 29.99 2k3f n ARG 94 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2k3f n LYS 95 N 4.22 -1.07 -2.55 -0.14 4.76 -1.05 -5.00 118.16 117.32 2k3f n LYS 95 Ca 0.72 0.68 -0.24 0.00 -2.87 0.00 0.00 58.31 56.60 2k3f n LYS 95 Cb 0.27 -4.92 0.10 0.00 -1.84 0.00 0.00 35.03 28.64 2k3f n LYS 95 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2k3f s ILE 96 N -2.67 2.21 0.00 -0.18 1.01 0.79 -4.73 121.20 117.62 2k3f s ILE 96 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2k3f s ILE 96 Cb 0.00 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.83 2k3f s ILE 96 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 174.94 175.49 2k3f n VAL 97 N -2.80 0.00 -3.86 2.92 3.14 0.09 -2.63 118.33 115.19 2k3f n VAL 97 Ca 0.14 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.44 2k3f n VAL 97 Cb 0.60 -0.40 -0.01 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 -4.45 0.08 0.18 7.55 0.00 -1.22 -4.88 107.32 104.58 2k3f s GLY 98 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 44.72 44.21 2k3f s GLY 98 CO 0.00 -0.19 0.18 -1.59 0.00 0.00 0.00 173.10 171.51 2k3f s LYS 99 N -3.55 1.15 0.00 2.90 0.00 -1.24 -2.88 119.74 116.12 2k3f s LYS 99 Ca 0.13 -1.42 0.00 0.00 0.00 0.00 0.00 55.97 54.68 2k3f s LYS 99 Cb -0.05 0.31 0.00 0.00 0.00 0.00 0.00 37.83 38.09 2k3f s LYS 99 CO 0.08 -0.39 0.00 0.28 0.00 0.00 0.00 175.35 175.32 2k3f n VAL 100 N -0.22 0.00 -3.64 1.79 0.31 0.15 -3.76 118.33 112.96 2k3f n VAL 100 Ca -0.03 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.24 2k3f n VAL 100 Cb 0.64 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.50 2k3f n VAL 100 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2k3f s THR 101 N 1.34 0.00 0.32 2.52 -1.32 -1.25 0.40 115.64 117.65 2k3f s THR 101 Ca 0.00 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 2k3f s THR 101 Cb 0.00 -1.00 0.39 0.00 -1.51 0.00 0.00 72.50 70.38 2k3f s THR 101 CO 0.00 0.00 1.58 -0.09 -2.21 0.00 0.00 174.62 173.90 2k3f h ARG 102 N 5.46 0.02 -0.74 7.08 9.65 -1.86 0.23 114.38 134.23 2k3f h ARG 102 Ca -0.28 -0.00 0.04 0.00 -1.10 0.00 0.00 59.98 58.64 2k3f h ARG 102 Cb 1.19 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 29.72 2k3f h ARG 102 CO 0.15 0.02 0.46 -0.22 2.80 0.00 0.00 179.97 183.18 2k3f h LYS 103 N 0.02 0.85 0.13 0.20 1.63 -1.97 0.14 116.57 117.58 2k3f h LYS 103 Ca 0.65 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 60.39 2k3f h LYS 103 Cb 1.45 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 2k3f h LYS 103 CO -0.87 0.56 -0.06 1.96 -3.45 0.00 0.00 179.45 177.59 2k3f h GLN 104 N 0.87 -0.17 -0.76 1.90 1.08 -0.98 -0.22 115.11 116.84 2k3f h GLN 104 Ca 0.31 0.01 0.11 0.00 -1.45 0.00 0.00 58.65 57.63 2k3f h GLN 104 Cb 0.07 0.04 -0.12 0.00 -0.05 0.00 0.00 27.48 27.43 2k3f h GLN 104 CO -0.13 0.16 -0.33 -0.89 -0.95 0.00 0.00 178.83 176.69 2k3f n ILE 105 N -5.01 -0.42 -0.00 2.54 2.08 -0.78 -0.85 119.36 116.91 2k3f n ILE 105 Ca -0.09 1.79 -0.12 0.00 0.56 0.00 0.00 62.75 64.90 2k3f n ILE 105 Cb 0.22 -2.34 -0.05 0.00 -0.75 0.00 0.00 39.64 36.72 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 -0.44 0.30 0.38 4.81 -0.11 0.58 114.58 120.09 2k3f h GLU 106 Ca 0.24 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2k3f h GLU 106 Cb 0.43 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 2k3f h GLU 106 CO -0.75 -0.30 -0.41 0.93 -0.73 0.00 0.00 179.01 177.76 2k3f h GLU 107 N -0.46 -0.74 -0.42 1.92 4.39 0.27 0.47 114.58 120.01 2k3f h GLU 107 Ca 0.08 0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.92 2k3f h GLU 107 Cb 0.60 0.17 -0.09 0.00 -0.10 0.00 0.00 28.75 29.33 2k3f h GLU 107 CO -0.39 -0.49 -0.18 0.82 -1.16 0.00 0.00 179.01 177.61 2k3f h ILE 108 N -0.76 0.44 -0.82 3.13 2.04 -0.90 0.83 117.51 121.47 2k3f h ILE 108 Ca -0.01 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.02 2k3f h ILE 108 Cb 0.72 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 2k3f h ILE 108 CO -0.13 0.00 0.55 0.00 0.00 0.00 0.00 178.15 178.56 2k3f h ALA 109 N 1.21 2.19 0.12 1.87 0.00 0.11 -2.63 119.26 122.12 2k3f h ALA 109 Ca 0.20 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2k3f h ALA 109 Cb 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2k3f h ALA 109 CO -0.48 -0.43 -0.06 0.87 0.00 0.00 0.00 179.25 179.15 2k3f h LYS 110 N 0.39 -0.16 -0.35 0.00 1.57 0.23 0.14 116.57 118.38 2k3f h LYS 110 Ca 0.41 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.30 2k3f h LYS 110 Cb 1.02 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 2k3f h LYS 110 CO -0.14 0.27 0.27 0.00 -0.57 0.00 0.00 179.45 179.29 2k3f h THR 111 N -0.65 0.73 -0.01 -0.16 1.03 -1.07 -2.18 112.91 110.61 2k3f h THR 111 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.38 2k3f h THR 111 Cb 0.50 0.81 0.00 0.00 -1.07 0.00 0.00 68.15 68.38 2k3f h THR 111 CO 0.03 0.00 -0.41 0.29 -0.01 0.00 0.00 175.52 175.41 2k3f n LYS 112 N -4.29 1.52 -0.14 0.00 5.02 -1.01 -4.51 118.16 114.74 2k3f n LYS 112 Ca 0.06 -0.80 0.19 0.00 -2.02 0.00 0.00 58.31 55.73 2k3f n LYS 112 Cb 0.45 -1.34 0.57 0.00 -0.02 0.00 0.00 35.03 34.70 2k3f n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k3f h MET 113 N 1.84 0.26 -0.09 1.97 -0.00 -0.04 0.73 114.93 119.61 2k3f h MET 113 Ca 0.00 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.70 59.65 2k3f h MET 113 Cb 0.60 -0.06 -0.01 0.00 -0.00 0.00 0.00 31.60 32.13 2k3f h MET 113 CO 0.00 0.17 -0.09 -1.00 -0.00 0.00 0.00 176.91 175.99 2k3f h PRO 114 N 0.27 0.13 0.00 -0.10 0.13 -1.79 -3.33 132.00 127.31 2k3f h PRO 114 Ca 0.36 -0.02 -0.34 0.00 -0.87 0.00 0.00 66.00 65.14 2k3f h PRO 114 Cb 1.04 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.08 2k3f h PRO 114 CO -0.09 0.23 -2.28 -3.47 -0.23 0.00 0.00 178.00 172.16 2k3f n ASP 115 N -4.36 2.25 -1.78 1.44 -0.08 0.57 -4.64 116.55 109.94 2k3f n ASP 115 Ca -0.01 -0.11 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 2k3f n ASP 115 Cb 0.21 -0.36 0.00 0.00 2.34 0.00 0.00 41.12 43.30 2k3f n ASP 115 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2k3f n LEU 116 N -3.18 0.95 -2.36 -2.67 4.32 0.22 -4.63 117.00 109.66 2k3f n LEU 116 Ca -0.40 -0.43 -0.06 0.00 -0.02 0.00 0.00 56.01 55.10 2k3f n LEU 116 Cb 0.92 -0.20 -0.01 0.00 -1.62 0.00 0.00 43.42 42.51 2k3f n LEU 116 CO 0.22 0.18 -0.05 -3.20 -1.22 0.00 0.00 177.39 173.32 2k3f n ASN 117 N 1.77 -0.07 0.00 -1.43 5.15 -1.26 -4.82 115.26 114.60 2k3f n ASN 117 Ca 0.00 -0.19 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 2k3f n ASN 117 Cb 0.09 -0.24 0.00 0.00 -0.53 0.00 0.00 39.78 39.11 2k3f n ASN 117 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k3f n ALA 118 N -1.28 0.00 0.00 5.20 0.00 -1.25 -4.96 120.51 118.22 2k3f n ALA 118 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2k3f n ALA 118 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 2k3f n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k3f n ASN 119 N -0.39 0.00 -3.68 0.00 4.13 -1.26 -4.84 115.26 109.21 2k3f n ASN 119 Ca 0.00 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.12 2k3f n ASN 119 Cb 0.00 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.15 2k3f n ASN 119 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2k3f s SER 120 N 0.86 -0.56 0.23 6.41 1.04 -1.26 -5.07 113.70 115.35 2k3f s SER 120 Ca 0.00 1.04 -0.06 0.00 0.48 0.00 0.00 55.95 57.41 2k3f s SER 120 Cb 0.00 1.05 0.38 0.00 0.10 0.00 0.00 66.02 67.55 2k3f s SER 120 CO 0.00 -0.23 1.76 0.25 0.98 0.00 0.00 173.24 176.01 2k3f h LEU 121 N 5.08 0.41 -1.30 2.42 7.12 -1.93 0.16 115.31 127.28 2k3f h LEU 121 Ca -0.28 0.08 0.15 0.00 0.13 0.00 0.00 57.88 57.96 2k3f h LEU 121 Cb 1.17 0.01 -0.07 0.00 -0.53 0.00 0.00 40.66 41.24 2k3f h LEU 121 CO 0.18 0.21 0.58 -0.33 -0.13 0.00 0.00 178.44 178.96 2k3f h GLU 122 N 0.55 0.64 -0.15 1.25 5.08 -1.97 0.45 114.58 120.43 2k3f h GLU 122 Ca 0.37 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.66 2k3f h GLU 122 Cb 0.46 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2k3f h GLU 122 CO -0.31 0.43 -0.03 0.00 -1.00 0.00 0.00 179.01 178.10 2k3f h ALA 123 N 1.60 0.21 -0.67 3.43 0.00 -1.35 -2.66 119.26 119.83 2k3f h ALA 123 Ca 0.46 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 55.25 2k3f h ALA 123 Cb 0.78 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2k3f h ALA 123 CO -0.21 -0.05 0.44 0.00 0.00 0.00 0.00 179.25 179.43 2k3f h ALA 124 N 0.73 1.98 -0.58 0.00 0.00 -0.22 -2.50 119.26 118.67 2k3f h ALA 124 Ca 0.04 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.01 2k3f h ALA 124 Cb 0.44 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 2k3f h ALA 124 CO 0.01 -0.13 0.27 0.52 0.00 0.00 0.00 179.25 179.93 2k3f h MET 125 N 0.48 0.49 -0.57 0.00 2.07 0.16 -1.92 114.93 115.64 2k3f h MET 125 Ca 0.31 -0.03 -0.05 0.00 -2.07 0.00 0.00 59.70 57.86 2k3f h MET 125 Cb 0.57 -0.11 -0.03 0.00 -1.87 0.00 0.00 31.60 30.17 2k3f h MET 125 CO -0.10 0.32 0.16 1.57 1.07 0.00 0.00 176.91 179.93 2k3f h LYS 126 N 0.50 0.87 0.35 1.72 5.09 -1.30 0.05 116.57 123.86 2k3f h LYS 126 Ca 0.27 -0.17 -0.01 0.00 0.09 0.00 0.00 60.65 60.83 2k3f h LYS 126 Cb 0.23 -0.13 -0.01 0.00 0.10 0.00 0.00 32.23 32.42 2k3f h LYS 126 CO -0.22 0.77 -0.30 0.82 -2.09 0.00 0.00 179.45 178.43 2k3f h ILE 127 N 0.84 0.00 0.02 0.07 2.04 -1.34 -0.62 117.51 118.52 2k3f h ILE 127 Ca 0.19 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.07 2k3f h ILE 127 Cb 0.28 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.30 2k3f h ILE 127 CO -0.00 0.00 -0.53 0.40 0.00 0.00 0.00 178.15 178.02 2k3f h ILE 128 N -0.64 0.02 -0.98 -0.67 1.08 -1.13 0.73 117.51 115.92 2k3f h ILE 128 Ca -0.05 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.57 2k3f h ILE 128 Cb 0.54 0.02 -0.09 0.00 -3.07 0.00 0.00 36.82 34.22 2k3f h ILE 128 CO -0.01 0.00 0.60 -0.33 -0.69 0.00 0.00 178.15 177.72 2k3f h GLU 129 N -0.68 0.84 -0.14 2.37 5.08 -1.07 0.46 114.58 121.44 2k3f h GLU 129 Ca 0.01 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 2k3f h GLU 129 Cb 0.72 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2k3f h GLU 129 CO -0.35 0.56 -0.27 0.78 -1.00 0.00 0.00 179.01 178.73 2k3f h GLY 130 N 0.87 0.47 -0.30 -3.84 0.00 0.20 0.36 103.07 100.82 2k3f h GLY 130 Ca 0.52 -0.55 0.04 0.00 0.00 0.00 0.00 47.33 47.34 2k3f h GLY 130 CO -0.32 0.50 -0.49 -0.84 0.00 0.00 0.00 176.54 175.39 2k3f h THR 131 N 0.03 0.00 -0.57 4.70 2.02 0.11 -1.00 112.91 118.20 2k3f h THR 131 Ca 0.01 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.30 2k3f h THR 131 Cb 0.86 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.18 2k3f h THR 131 CO 0.06 0.00 0.03 0.00 0.37 0.00 0.00 175.52 175.98 2k3f h ALA 132 N -0.25 0.58 -0.63 6.16 0.00 0.04 -1.12 119.26 124.05 2k3f h ALA 132 Ca 0.06 0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.22 2k3f h ALA 132 Cb 0.55 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 18.49 2k3f h ALA 132 CO -0.49 -0.37 -0.43 -0.22 0.00 0.00 0.00 179.25 177.73 2k3f h LYS 133 N 0.15 -0.19 0.00 0.00 3.64 0.26 0.11 116.57 120.55 2k3f h LYS 133 Ca 0.30 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.64 2k3f h LYS 133 Cb 0.46 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2k3f h LYS 133 CO -0.46 -0.13 -0.23 0.77 -2.27 0.00 0.00 179.45 177.14 2k3f h SER 134 N -0.20 0.00 -0.02 4.20 0.02 -0.32 -2.85 113.55 114.39 2k3f h SER 134 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2k3f h SER 134 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2k3f h SER 134 CO -0.72 0.23 0.00 0.23 -1.14 0.00 0.00 176.83 175.42 2k3f n MET 135 N -4.27 1.10 -0.80 3.45 2.81 0.19 -4.86 117.12 114.74 2k3f n MET 135 Ca -0.02 -0.15 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 2k3f n MET 135 Cb 0.28 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 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 0.87 0.51 3.50 3.03 0.00 -0.99 -4.80 105.19 107.31 2k3f n GLY 136 Ca 0.16 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.00 4.18 0.40 -0.61 1.09 -0.02 -0.73 121.20 123.52 2k3f s ILE 137 Ca 0.00 -0.24 -0.04 0.00 -1.10 0.00 0.00 60.65 59.28 2k3f s ILE 137 Cb 0.00 -2.89 -0.04 0.00 -1.06 0.00 0.00 42.46 38.47 2k3f s ILE 137 CO 0.00 0.43 0.67 -1.83 -0.10 0.00 0.00 174.94 174.12 2k3f s GLU 138 N 0.82 3.55 -0.17 2.79 -1.05 -1.14 -3.60 118.70 119.90 2k3f s GLU 138 Ca 0.01 0.01 -0.01 0.00 -0.15 0.00 0.00 54.97 54.83 2k3f s GLU 138 Cb -0.14 -2.51 -0.00 0.00 -0.44 0.00 0.00 34.13 31.03 2k3f s GLU 138 CO 0.02 -0.01 -0.12 0.14 0.95 0.00 0.00 175.26 176.24 2k3f s VAL 139 N -2.48 2.93 0.21 1.83 -7.23 -1.26 0.30 120.40 114.70 2k3f s VAL 139 Ca 0.45 -0.67 0.07 0.00 -1.81 0.00 0.00 61.98 60.02 2k3f s VAL 139 Cb -0.10 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 2k3f s VAL 139 CO 0.39 0.49 0.09 0.68 -0.31 0.00 0.00 175.10 176.44 2k3f s VAL 140 N 0.95 4.07 0.00 1.32 -7.23 0.16 -4.84 120.40 114.84 2k3f s VAL 140 Ca -0.02 -1.42 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 2k3f s VAL 140 Cb -0.15 -3.12 0.00 0.00 0.56 0.00 0.00 36.38 33.67 2k3f s VAL 140 CO -0.01 -0.23 0.00 -0.67 -0.31 0.00 0.00 175.10 173.88