#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1f n SER 2 N 0.00 0.00 -3.89 7.83 7.64 -1.26 -4.41 113.62 119.54 2k1f n SER 2 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 2k1f n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2k1f n SER 2 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2k1f n ASP 3 N 1.78 4.20 0.00 6.43 2.03 -1.26 -4.95 116.55 124.78 2k1f n ASP 3 Ca 0.00 -2.89 0.00 0.00 0.52 0.00 0.00 54.79 52.42 2k1f n ASP 3 Cb 0.00 -1.65 0.00 0.00 -0.72 0.00 0.00 41.12 38.75 2k1f n ASP 3 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2k1f n GLU 4 N 6.16 0.00 -3.00 -0.67 1.02 -1.26 -4.43 120.64 118.46 2k1f n GLU 4 Ca 0.50 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 57.22 2k1f n GLU 4 Cb 0.40 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.76 2k1f n GLU 4 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2k1f s LYS 5 N 0.00 3.86 0.16 3.49 -0.14 -1.26 0.03 119.74 125.89 2k1f s LYS 5 Ca 0.00 0.39 0.09 0.00 -1.36 0.00 0.00 55.97 55.09 2k1f s LYS 5 Cb 0.00 -3.76 -0.04 0.00 -1.68 0.00 0.00 37.83 32.35 2k1f s LYS 5 CO 0.00 -0.71 -0.12 0.15 -0.76 0.00 0.00 175.35 173.91 2k1f s LYS 6 N 2.89 1.98 0.00 1.68 1.02 -1.26 -4.86 119.74 121.18 2k1f s LYS 6 Ca 0.30 -1.25 0.00 0.00 0.02 0.00 0.00 55.97 55.03 2k1f s LYS 6 Cb -0.14 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 2k1f s LYS 6 CO 0.14 0.45 0.00 0.41 -0.92 0.00 0.00 175.35 175.42 2k1f n GLY 7 N 0.24 0.07 0.00 -3.33 0.00 -1.26 -4.64 105.19 96.27 2k1f n GLY 7 Ca -0.12 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2k1f n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1f n GLY 8 N 0.00 1.87 2.49 -0.02 0.00 -1.26 -5.13 105.19 103.14 2k1f n GLY 8 Ca 0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 46.02 45.54 2k1f n GLY 8 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k1f n GLU 9 N 0.00 -2.97 0.00 1.61 1.02 -1.26 -5.08 120.64 113.96 2k1f n GLU 9 Ca 0.00 2.44 0.00 0.00 -0.02 0.00 0.00 57.16 59.58 2k1f n GLU 9 Cb 0.00 -4.58 0.00 0.00 -0.02 0.00 0.00 31.44 26.84 2k1f n GLU 9 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2k1f n THR 10 N 0.65 0.00 -2.11 2.62 5.66 -1.26 -5.10 114.28 114.74 2k1f n THR 10 Ca -0.03 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.54 2k1f n THR 10 Cb 0.05 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.80 2k1f n THR 10 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2k1f s GLU 11 N 3.60 3.88 0.23 1.09 2.12 -1.26 -4.94 118.70 123.41 2k1f s GLU 11 Ca 0.00 1.75 -0.22 0.00 0.36 0.00 0.00 54.97 56.86 2k1f s GLU 11 Cb 0.00 -4.01 0.05 0.00 0.26 0.00 0.00 34.13 30.43 2k1f s GLU 11 CO 0.00 -1.19 0.88 -3.38 -0.54 0.00 0.00 175.26 171.03 2k1f s HIS 12 N 4.93 -0.08 0.09 5.30 -3.43 -1.26 -4.56 115.29 116.28 2k1f s HIS 12 Ca 0.71 -0.34 0.08 0.00 -0.80 0.00 0.00 55.06 54.71 2k1f s HIS 12 Cb -0.26 0.70 -0.03 0.00 -1.43 0.00 0.00 32.58 31.55 2k1f s HIS 12 CO 0.28 -1.06 -0.22 0.96 -2.00 0.00 0.00 174.74 172.70 2k1f s ILE 13 N -3.14 1.80 0.08 -5.38 -4.36 0.04 -4.95 121.20 105.28 2k1f s ILE 13 Ca 0.14 -1.48 0.01 0.00 -0.26 0.00 0.00 60.65 59.06 2k1f s ILE 13 Cb -0.03 -1.60 -0.04 0.00 1.25 0.00 0.00 42.46 42.03 2k1f s ILE 13 CO 0.05 0.05 0.20 0.20 0.24 0.00 0.00 174.94 175.69 2k1f s ASN 14 N -1.71 6.23 0.01 4.36 0.01 -1.26 -1.61 114.94 120.98 2k1f s ASN 14 Ca 0.08 0.21 0.05 0.00 -0.71 0.00 0.00 52.86 52.49 2k1f s ASN 14 Cb -0.10 -1.88 -0.02 0.00 0.41 0.00 0.00 41.25 39.67 2k1f s ASN 14 CO 0.04 0.15 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.87 2k1f s LEU 15 N -2.63 2.09 -0.09 0.60 1.02 -0.78 -0.89 118.68 118.01 2k1f s LEU 15 Ca 0.34 -0.35 -0.01 0.00 0.02 0.00 0.00 54.13 54.12 2k1f s LEU 15 Cb -0.13 -0.72 -0.03 0.00 0.02 0.00 0.00 46.19 45.33 2k1f s LEU 15 CO 0.27 0.13 -0.02 -0.54 0.02 0.00 0.00 176.35 176.21 2k1f s LYS 16 N -0.70 3.02 -0.19 1.70 -0.14 0.34 -1.01 119.74 122.75 2k1f s LYS 16 Ca 0.04 -0.45 -0.02 0.00 -1.36 0.00 0.00 55.97 54.18 2k1f s LYS 16 Cb -0.07 -2.76 -0.01 0.00 -1.68 0.00 0.00 37.83 33.31 2k1f s LYS 16 CO 0.00 0.64 -0.08 0.08 -0.76 0.00 0.00 175.35 175.23 2k1f s VAL 17 N -0.71 3.11 -0.23 3.17 1.01 0.71 -2.02 120.40 125.44 2k1f s VAL 17 Ca 0.11 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 2k1f s VAL 17 Cb -0.12 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 2k1f s VAL 17 CO 0.02 0.46 -0.00 -0.76 0.00 0.00 0.00 175.10 174.82 2k1f s LEU 18 N 1.20 3.09 0.18 3.92 1.02 -0.22 -1.76 118.68 126.11 2k1f s LEU 18 Ca 0.02 -0.32 -0.17 0.00 0.02 0.00 0.00 54.13 53.67 2k1f s LEU 18 Cb -0.14 -1.80 -0.08 0.00 0.02 0.00 0.00 46.19 44.19 2k1f s LEU 18 CO -0.03 -0.02 0.64 -0.83 0.02 0.00 0.00 176.35 176.13 2k1f s GLY 19 N 1.51 2.56 0.32 -3.19 0.00 0.07 -0.34 107.32 108.25 2k1f s GLY 19 Ca 0.06 0.04 0.14 0.00 0.00 0.00 0.00 44.72 44.96 2k1f s GLY 19 CO -0.01 0.37 1.66 -1.61 0.00 0.00 0.00 173.10 173.51 2k1f h GLN 20 N 3.56 0.00 -0.14 2.90 5.75 -1.13 -2.31 115.11 123.73 2k1f h GLN 20 Ca -0.48 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.06 2k1f h GLN 20 Cb 1.19 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.74 2k1f h GLN 20 CO 0.65 0.51 0.13 0.38 -2.65 0.00 0.00 178.83 177.86 2k1f h ASP 21 N 0.00 0.00 0.00 -0.69 3.04 -1.91 -3.47 116.42 113.39 2k1f h ASP 21 Ca -0.01 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 2k1f h ASP 21 Cb 1.03 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.32 2k1f h ASP 21 CO 0.07 0.00 0.00 -3.20 -2.04 0.00 0.00 179.24 174.07 2k1f n ASN 22 N -4.03 -0.67 -4.85 4.15 5.15 -0.87 -5.11 115.26 109.03 2k1f n ASN 22 Ca 0.01 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.67 2k1f n ASN 22 Cb 0.25 -0.16 -0.05 0.00 -0.53 0.00 0.00 39.78 39.29 2k1f n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k1f s ALA 23 N -2.00 3.26 -0.12 5.20 0.00 -1.26 -4.88 121.76 121.96 2k1f s ALA 23 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.00 2k1f s ALA 23 Cb 0.00 -2.84 0.03 0.00 0.00 0.00 0.00 23.12 20.31 2k1f s ALA 23 CO 0.00 0.18 -0.02 0.08 0.00 0.00 0.00 175.76 175.99 2k1f s VAL 24 N -2.16 0.71 0.15 0.00 1.01 -1.26 -0.75 120.40 118.11 2k1f s VAL 24 Ca 0.55 -0.23 0.11 0.00 0.00 0.00 0.00 61.98 62.41 2k1f s VAL 24 Cb -0.10 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 2k1f s VAL 24 CO 0.21 0.20 -0.25 -0.69 0.00 0.00 0.00 175.10 174.57 2k1f s VAL 25 N 1.82 2.17 -0.04 2.92 1.01 -0.72 -4.99 120.40 122.57 2k1f s VAL 25 Ca 0.03 -1.82 -0.06 0.00 0.00 0.00 0.00 61.98 60.13 2k1f s VAL 25 Cb -0.14 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.30 2k1f s VAL 25 CO -0.07 -0.02 0.15 0.00 0.00 0.00 0.00 175.10 175.16 2k1f s GLN 26 N -2.27 0.29 0.25 2.72 -2.07 -1.26 -0.21 119.66 117.12 2k1f s GLN 26 Ca 0.15 0.01 0.12 0.00 -1.82 0.00 0.00 55.36 53.82 2k1f s GLN 26 Cb -0.09 0.13 -0.05 0.00 -1.09 0.00 0.00 33.01 31.91 2k1f s GLN 26 CO 0.07 -0.05 -0.21 -0.06 -1.32 0.00 0.00 175.29 173.71 2k1f s PHE 27 N -0.42 2.28 -0.18 9.60 0.08 -0.18 -4.97 117.98 124.20 2k1f s PHE 27 Ca -0.05 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.66 2k1f s PHE 27 Cb -0.03 -1.03 0.04 0.00 -0.57 0.00 0.00 43.02 41.42 2k1f s PHE 27 CO 0.01 0.65 -0.12 0.15 -0.10 0.00 0.00 175.22 175.80 2k1f s LYS 28 N -3.25 2.17 -0.01 0.44 -0.14 -1.26 -1.87 119.74 115.81 2k1f s LYS 28 Ca 0.27 -0.76 -0.04 0.00 -1.36 0.00 0.00 55.97 54.08 2k1f s LYS 28 Cb -0.06 -2.33 0.00 0.00 -1.68 0.00 0.00 37.83 33.76 2k1f s LYS 28 CO 0.13 -0.36 0.09 -1.50 -0.76 0.00 0.00 175.35 172.95 2k1f s ILE 29 N 1.41 0.05 0.50 2.17 2.07 -0.63 -5.01 121.20 121.77 2k1f s ILE 29 Ca 0.01 -0.41 -0.17 0.00 -1.41 0.00 0.00 60.65 58.67 2k1f s ILE 29 Cb -0.15 -0.27 -0.08 0.00 0.13 0.00 0.00 42.46 42.09 2k1f s ILE 29 CO -0.09 -0.23 0.98 -0.54 -1.91 0.00 0.00 174.94 173.15 2k1f s LYS 30 N -0.73 3.97 0.49 3.50 1.02 -1.26 -0.78 119.74 125.95 2k1f s LYS 30 Ca -0.08 0.96 0.18 0.00 0.02 0.00 0.00 55.97 57.05 2k1f s LYS 30 Cb -0.05 -2.14 1.19 0.00 -0.52 0.00 0.00 37.83 36.31 2k1f s LYS 30 CO 0.00 -0.24 2.06 0.87 -0.92 0.00 0.00 175.35 177.12 2k1f h LYS 31 N 1.02 0.00 -0.00 1.68 1.57 -1.93 -1.94 116.57 116.97 2k1f h LYS 31 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2k1f h LYS 31 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2k1f h LYS 31 CO 0.61 0.12 -0.10 0.72 -0.57 0.00 0.00 179.45 180.24 2k1f n HIS 32 N -4.24 0.00 -3.51 -1.35 8.25 -1.26 -4.57 115.22 108.54 2k1f n HIS 32 Ca -0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.05 2k1f n HIS 32 Cb 0.19 -0.31 -0.10 0.00 1.12 0.00 0.00 29.99 30.89 2k1f n HIS 32 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2k1f s THR 33 N -2.72 5.25 0.65 1.59 2.01 -0.73 -5.08 115.64 116.61 2k1f s THR 33 Ca 0.22 0.29 -0.11 0.00 0.31 0.00 0.00 61.69 62.40 2k1f s THR 33 Cb 0.19 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.07 2k1f s THR 33 CO 0.52 0.19 1.04 -2.16 -0.69 0.00 0.00 174.62 173.51 2k1f s PRO 34 N 1.88 3.37 0.20 4.92 0.04 -1.26 -4.81 135.00 139.34 2k1f s PRO 34 Ca 0.10 0.83 0.04 0.00 0.04 0.00 0.00 61.00 62.00 2k1f s PRO 34 Cb -0.16 -2.05 0.11 0.00 0.04 0.00 0.00 34.50 32.44 2k1f s PRO 34 CO 0.11 -0.76 1.46 -0.07 0.04 0.00 0.00 177.00 177.78 2k1f h LEU 35 N -0.45 0.25 -0.82 -3.56 -0.00 -1.69 -3.24 115.31 105.81 2k1f h LEU 35 Ca -0.44 -0.17 0.20 0.00 -0.00 0.00 0.00 57.88 57.47 2k1f h LEU 35 Cb 1.20 -0.07 -0.13 0.00 -0.00 0.00 0.00 40.66 41.66 2k1f h LEU 35 CO 0.60 0.91 0.23 -0.09 -0.00 0.00 0.00 178.44 180.09 2k1f h ARG 36 N 0.13 0.26 -0.50 1.13 9.65 -1.26 -0.86 114.38 122.94 2k1f h ARG 36 Ca -0.03 -0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 58.73 2k1f h ARG 36 Cb 1.33 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.84 2k1f h ARG 36 CO 0.12 0.17 -0.12 -0.22 2.80 0.00 0.00 179.97 182.72 2k1f h LYS 37 N 0.27 0.93 -0.19 0.20 1.63 -1.86 -0.32 116.57 117.22 2k1f h LYS 37 Ca 0.49 -0.34 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 2k1f h LYS 37 Cb 0.92 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.48 2k1f h LYS 37 CO -0.57 0.99 0.08 1.25 -3.45 0.00 0.00 179.45 177.75 2k1f h LEU 38 N 0.83 0.26 0.35 5.20 6.46 -1.44 -0.08 115.31 126.88 2k1f h LEU 38 Ca 0.13 -0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2k1f h LEU 38 Cb 0.66 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.49 2k1f h LEU 38 CO 0.05 0.34 -0.41 0.24 -0.62 0.00 0.00 178.44 178.03 2k1f h MET 39 N 0.16 -0.77 -0.47 1.25 2.86 -1.08 -1.61 114.93 115.27 2k1f h MET 39 Ca 0.06 0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 2k1f h MET 39 Cb 0.16 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 2k1f h MET 39 CO -0.01 -0.51 0.11 -0.91 1.06 0.00 0.00 176.91 176.65 2k1f h ASN 40 N -0.80 0.65 -0.29 1.22 -0.26 -1.07 -1.07 115.58 113.97 2k1f h ASN 40 Ca -0.02 -0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.60 2k1f h ASN 40 Cb 0.73 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.81 2k1f h ASN 40 CO -0.10 0.65 0.13 0.00 -1.06 0.00 0.00 177.43 177.04 2k1f h ALA 41 N 1.44 0.37 -0.28 -0.83 0.00 -0.90 0.22 119.26 119.28 2k1f h ALA 41 Ca 0.15 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2k1f h ALA 41 Cb 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2k1f h ALA 41 CO -0.00 -0.06 -0.27 1.88 0.00 0.00 0.00 179.25 180.80 2k1f h TYR 42 N 0.32 0.62 0.20 0.00 0.05 -1.13 -0.47 116.97 116.56 2k1f h TYR 42 Ca 0.10 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.74 2k1f h TYR 42 Cb 0.14 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.71 2k1f h TYR 42 CO -0.02 0.77 -0.20 0.00 -1.05 0.00 0.00 178.16 177.66 2k1f h ASP 44 N -0.43 0.00 -0.02 0.00 3.32 -0.83 0.28 116.42 118.74 2k1f h ASP 44 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 2k1f h ASP 44 Cb 0.41 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.96 2k1f h ASP 44 CO -0.05 0.28 -0.46 0.03 -1.72 0.00 0.00 179.24 177.32 2k1f h ARG 45 N 0.00 0.35 0.03 3.56 3.08 -1.05 -3.40 114.38 116.95 2k1f h ARG 45 Ca -0.00 -0.35 -0.11 0.00 0.07 0.00 0.00 59.98 59.59 2k1f h ARG 45 Cb 0.57 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 2k1f h ARG 45 CO 0.04 1.02 -0.54 0.00 -1.07 0.00 0.00 179.97 179.41 2k1f h ALA 46 N 0.34 0.06 0.00 0.04 0.00 -1.02 -3.49 119.26 115.18 2k1f h ALA 46 Ca -0.05 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2k1f h ALA 46 Cb 1.17 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2k1f h ALA 46 CO 0.09 0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.05 2k1f n GLY 47 N 1.60 0.93 0.00 0.00 0.00 0.99 -5.08 105.19 103.62 2k1f n GLY 47 Ca -0.17 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2k1f n GLY 47 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2k1f n LEU 48 N 0.00 0.00 -3.68 0.99 -0.00 -1.25 -5.06 117.00 107.99 2k1f n LEU 48 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 2k1f n LEU 48 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 2k1f n LEU 48 CO 0.00 -0.71 0.12 -0.44 -0.00 0.00 0.00 177.39 176.36 2k1f s SER 49 N -1.25 -0.22 0.24 1.45 0.01 -1.26 -4.98 113.70 107.70 2k1f s SER 49 Ca 0.00 -0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.13 2k1f s SER 49 Cb 0.00 0.42 0.27 0.00 0.21 0.00 0.00 66.02 66.92 2k1f s SER 49 CO 0.00 -0.71 1.60 -0.03 0.41 0.00 0.00 173.24 174.52 2k1f h MET 50 N 2.88 0.41 0.00 12.44 4.05 -2.00 -3.16 114.93 129.55 2k1f h MET 50 Ca -0.32 -0.23 0.00 0.00 -0.28 0.00 0.00 59.70 58.87 2k1f h MET 50 Cb 1.22 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.03 2k1f h MET 50 CO 0.45 0.79 0.00 1.04 0.23 0.00 0.00 176.91 179.43 2k1f n GLN 51 N -3.99 0.02 0.00 0.39 1.13 -1.26 -1.41 117.38 112.26 2k1f n GLN 51 Ca -0.02 0.34 0.06 0.00 -1.94 0.00 0.00 57.00 55.44 2k1f n GLN 51 Cb 0.54 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.37 2k1f n GLN 51 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2k1f n VAL 52 N -1.45 0.00 -3.71 5.09 0.24 -1.20 -4.89 118.33 112.40 2k1f n VAL 52 Ca 0.02 -0.33 -0.38 0.00 -2.04 0.00 0.00 64.34 61.61 2k1f n VAL 52 Cb 0.08 1.11 -0.11 0.00 -1.47 0.00 0.00 33.84 33.45 2k1f n VAL 52 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2k1f s VAL 53 N -1.73 3.69 -0.51 3.34 1.01 -0.50 -2.75 120.40 122.95 2k1f s VAL 53 Ca 0.09 -1.63 -0.18 0.00 0.00 0.00 0.00 61.98 60.27 2k1f s VAL 53 Cb 0.10 -3.33 0.08 0.00 0.00 0.00 0.00 36.38 33.23 2k1f s VAL 53 CO 0.36 -0.51 0.55 -0.13 0.00 0.00 0.00 175.10 175.38 2k1f s ARG 54 N 1.30 3.05 -0.10 2.72 3.00 -0.39 -4.87 118.95 123.65 2k1f s ARG 54 Ca 0.03 -1.20 -0.03 0.00 0.00 0.00 0.00 55.73 54.53 2k1f s ARG 54 Cb -0.22 -4.16 -0.03 0.00 0.00 0.00 0.00 34.95 30.53 2k1f s ARG 54 CO -0.01 -1.23 0.02 -0.59 0.00 0.00 0.00 175.30 173.50 2k1f s PHE 55 N 2.21 3.21 -0.01 -0.53 -0.71 -1.26 -0.31 117.98 120.59 2k1f s PHE 55 Ca 0.10 0.19 -0.04 0.00 -1.04 0.00 0.00 56.93 56.14 2k1f s PHE 55 Cb -0.23 -1.85 -0.00 0.00 -1.21 0.00 0.00 43.02 39.73 2k1f s PHE 55 CO 0.08 0.44 0.08 1.03 -1.34 0.00 0.00 175.22 175.51 2k1f s ARG 56 N -0.69 0.29 -0.18 1.99 0.52 -0.50 -4.79 118.95 115.60 2k1f s ARG 56 Ca 0.11 -0.22 -0.03 0.00 -0.52 0.00 0.00 55.73 55.07 2k1f s ARG 56 Cb -0.12 0.12 -0.02 0.00 0.52 0.00 0.00 34.95 35.46 2k1f s ARG 56 CO 0.02 -0.06 -0.06 0.12 0.02 0.00 0.00 175.30 175.34 2k1f s PHE 57 N -0.80 2.94 -1.61 -0.53 5.36 -0.13 -1.93 117.98 121.28 2k1f s PHE 57 Ca -0.09 -0.66 -0.16 0.00 -0.96 0.00 0.00 56.93 55.06 2k1f s PHE 57 Cb -0.05 -1.99 0.12 0.00 -0.34 0.00 0.00 43.02 40.76 2k1f s PHE 57 CO 0.00 -0.30 0.87 -3.47 -1.46 0.00 0.00 175.22 170.86 2k1f n ASP 58 N 4.07 -3.87 0.00 6.13 2.03 -1.26 -0.47 116.55 123.18 2k1f n ASP 58 Ca -0.18 -0.90 0.00 0.00 0.52 0.00 0.00 54.79 54.23 2k1f n ASP 58 Cb 0.52 -3.29 0.00 0.00 -0.72 0.00 0.00 41.12 37.62 2k1f n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k1f n GLY 59 N -1.55 2.04 3.42 0.27 0.00 -1.26 -5.01 105.19 103.10 2k1f n GLY 59 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 2k1f n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k1f s GLN 60 N -0.03 1.53 0.72 1.61 -0.21 0.39 -5.04 119.66 118.62 2k1f s GLN 60 Ca 0.00 -1.74 -0.11 0.00 0.02 0.00 0.00 55.36 53.53 2k1f s GLN 60 Cb 0.00 -1.29 0.02 0.00 1.00 0.00 0.00 33.01 32.74 2k1f s GLN 60 CO 0.00 0.13 1.08 -1.25 -2.12 0.00 0.00 175.29 173.13 2k1f s PRO 61 N -3.66 2.77 0.04 2.91 0.04 -1.26 -0.95 135.00 134.89 2k1f s PRO 61 Ca 0.28 0.69 -0.11 0.00 0.04 0.00 0.00 61.00 61.90 2k1f s PRO 61 Cb 0.01 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.57 2k1f s PRO 61 CO 0.11 -1.15 0.24 -1.50 0.04 0.00 0.00 177.00 174.75 2k1f s ILE 62 N -3.19 0.10 0.09 0.56 2.07 -1.26 -4.80 121.20 114.77 2k1f s ILE 62 Ca 0.58 -0.79 0.03 0.00 -1.41 0.00 0.00 60.65 59.06 2k1f s ILE 62 Cb -0.13 -0.90 -0.04 0.00 0.13 0.00 0.00 42.46 41.52 2k1f s ILE 62 CO 0.54 -0.43 0.13 0.20 -1.91 0.00 0.00 174.94 173.47 2k1f s ASN 63 N -2.03 5.79 -0.01 4.50 0.01 -1.26 -5.04 114.94 116.90 2k1f s ASN 63 Ca -0.06 0.06 0.06 0.00 -0.71 0.00 0.00 52.86 52.21 2k1f s ASN 63 Cb -0.01 -1.63 -0.10 0.00 0.41 0.00 0.00 41.25 39.92 2k1f s ASN 63 CO -0.03 0.15 0.15 -1.84 -1.51 0.00 0.00 177.10 174.02 2k1f n GLU 64 N 0.23 0.53 0.25 -0.60 -0.00 -1.26 -4.49 120.64 115.30 2k1f n GLU 64 Ca -0.08 -0.05 0.13 0.00 -0.00 0.00 0.00 57.16 57.16 2k1f n GLU 64 Cb 0.52 -1.13 0.64 0.00 -0.00 0.00 0.00 31.44 31.47 2k1f n GLU 64 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 2k1f h ASN 65 N 0.00 0.00 -4.05 -1.84 -1.24 -1.96 0.34 115.58 106.84 2k1f h ASN 65 Ca 0.00 0.00 -0.45 0.00 0.71 0.00 0.00 56.30 56.56 2k1f h ASN 65 Cb 0.28 0.00 0.15 0.00 0.73 0.00 0.00 38.32 39.48 2k1f h ASN 65 CO 0.00 0.14 0.28 -0.62 -1.29 0.00 0.00 177.43 175.94 2k1f s ASP 66 N -6.05 2.90 0.16 1.15 -1.08 -1.26 -4.85 116.67 107.64 2k1f s ASP 66 Ca -0.01 0.81 -0.15 0.00 -0.52 0.00 0.00 52.55 52.68 2k1f s ASP 66 Cb 0.11 -1.25 -0.07 0.00 -1.46 0.00 0.00 42.92 40.25 2k1f s ASP 66 CO 0.59 -2.91 0.58 0.42 0.52 0.00 0.00 175.17 174.36 2k1f s THR 67 N -3.30 4.81 -1.32 1.71 -4.23 -1.26 -4.23 115.64 107.82 2k1f s THR 67 Ca 0.67 0.90 0.17 0.00 -1.18 0.00 0.00 61.69 62.25 2k1f s THR 67 Cb -0.12 -3.75 0.26 0.00 1.34 0.00 0.00 72.50 70.23 2k1f s THR 67 CO 0.54 0.23 1.52 -0.81 -0.54 0.00 0.00 174.62 175.57 2k1f n PRO 68 N 0.78 0.19 0.18 3.99 -0.04 -1.26 -2.05 135.00 136.79 2k1f n PRO 68 Ca -0.05 0.14 0.05 0.00 -0.04 0.00 0.00 63.50 63.60 2k1f n PRO 68 Cb 0.52 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.74 2k1f n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k1f h THR 69 N 0.00 0.89 0.00 0.52 1.03 -1.94 -3.35 112.91 110.05 2k1f h THR 69 Ca 0.00 -1.70 0.00 0.00 -0.01 0.00 0.00 66.41 64.70 2k1f h THR 69 Cb 0.19 2.05 0.00 0.00 -1.07 0.00 0.00 68.15 69.32 2k1f h THR 69 CO 0.00 0.40 0.00 0.28 -0.01 0.00 0.00 175.52 176.19 2k1f h SER 70 N 0.00 0.00 0.87 0.00 0.02 -1.83 -2.39 113.55 110.23 2k1f h SER 70 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k1f h SER 70 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2k1f h SER 70 CO 0.05 0.00 -1.08 -0.11 -1.14 0.00 0.00 176.83 174.56 2k1f n LEU 71 N -2.82 0.76 -2.17 5.07 7.94 -1.26 -5.01 117.00 119.50 2k1f n LEU 71 Ca 0.00 0.28 -0.19 0.00 -1.11 0.00 0.00 56.01 54.99 2k1f n LEU 71 Cb 0.24 -0.06 -0.01 0.00 0.53 0.00 0.00 43.42 44.11 2k1f n LEU 71 CO 0.23 -0.15 -0.24 -0.62 -1.11 0.00 0.00 177.39 175.49 2k1f n GLU 72 N -2.58 -1.53 0.00 1.96 1.02 -0.90 -4.99 120.64 113.62 2k1f n GLU 72 Ca -0.00 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 58.08 2k1f n GLU 72 Cb 0.54 -5.51 0.00 0.00 -0.02 0.00 0.00 31.44 26.46 2k1f n GLU 72 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2k1f n MET 73 N -2.83 0.00 0.00 3.49 2.81 -1.26 -5.09 117.12 114.23 2k1f n MET 73 Ca -0.23 0.40 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 2k1f n MET 73 Cb 0.67 -0.97 0.00 0.00 -0.71 0.00 0.00 33.22 32.21 2k1f n MET 73 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2k1f n GLU 74 N -1.70 0.00 -4.53 0.03 2.13 -1.26 -5.07 120.64 110.24 2k1f n GLU 74 Ca 0.00 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.57 2k1f n GLU 74 Cb 0.00 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.60 2k1f n GLU 74 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2k1f s GLU 75 N 0.00 1.77 0.00 5.31 -1.05 -1.26 -4.97 118.70 118.50 2k1f s GLU 75 Ca 0.00 -1.96 0.00 0.00 -0.15 0.00 0.00 54.97 52.86 2k1f s GLU 75 Cb 0.00 -1.39 0.00 0.00 -0.44 0.00 0.00 34.13 32.30 2k1f s GLU 75 CO 0.00 -0.02 0.00 0.41 0.95 0.00 0.00 175.26 176.60 2k1f n GLY 76 N -0.79 0.35 3.78 -3.83 0.00 -0.06 -4.96 105.19 99.68 2k1f n GLY 76 Ca -0.05 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 2k1f n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k1f s ASP 77 N -2.37 5.32 -0.38 1.61 2.15 -1.23 -4.88 116.67 116.89 2k1f s ASP 77 Ca 0.00 1.95 0.10 0.00 0.43 0.00 0.00 52.55 55.03 2k1f s ASP 77 Cb 0.00 -2.55 0.30 0.00 -0.30 0.00 0.00 42.92 40.37 2k1f s ASP 77 CO 0.00 -1.49 0.63 0.35 -0.17 0.00 0.00 175.17 174.49 2k1f n THR 78 N -2.28 -0.43 -2.72 1.71 -2.24 -1.24 -0.51 114.28 106.57 2k1f n THR 78 Ca 0.10 -4.29 -0.42 0.00 -2.27 0.00 0.00 64.05 57.17 2k1f n THR 78 Cb 0.52 -1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 67.64 2k1f n THR 78 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2k1f s ILE 79 N -1.80 4.84 -0.12 2.28 2.07 -0.86 -4.83 121.20 122.79 2k1f s ILE 79 Ca 0.37 2.01 -0.15 0.00 -1.41 0.00 0.00 60.65 61.48 2k1f s ILE 79 Cb 0.26 -4.30 -0.05 0.00 0.13 0.00 0.00 42.46 38.51 2k1f s ILE 79 CO -0.10 0.10 0.36 -1.83 -1.91 0.00 0.00 174.94 171.56 2k1f s GLU 80 N 1.45 4.18 -0.16 3.50 -1.05 -0.81 -1.06 118.70 124.75 2k1f s GLU 80 Ca 0.49 0.25 0.00 0.00 -0.15 0.00 0.00 54.97 55.56 2k1f s GLU 80 Cb -0.20 -3.38 0.00 0.00 -0.44 0.00 0.00 34.13 30.11 2k1f s GLU 80 CO 0.23 0.32 -0.15 0.08 0.95 0.00 0.00 175.26 176.69 2k1f s VAL 81 N 0.17 2.63 -0.47 1.83 1.01 0.54 -1.40 120.40 124.70 2k1f s VAL 81 Ca 0.21 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 2k1f s VAL 81 Cb -0.14 -2.11 0.09 0.00 0.00 0.00 0.00 36.38 34.21 2k1f s VAL 81 CO 0.07 0.51 0.37 -0.31 0.00 0.00 0.00 175.10 175.74 2k1f s TYR 82 N 0.93 3.28 0.31 5.22 1.51 0.58 -0.53 117.35 128.65 2k1f s TYR 82 Ca -0.03 -1.21 -0.25 0.00 -1.01 0.00 0.00 57.07 54.57 2k1f s TYR 82 Cb -0.15 -3.22 -0.10 0.00 -0.11 0.00 0.00 41.96 38.38 2k1f s TYR 82 CO -0.02 -0.86 0.91 -0.65 -1.11 0.00 0.00 175.55 173.83 2k1f s GLN 83 N 1.56 4.52 0.01 -0.62 -1.52 -1.26 -1.26 119.66 121.08 2k1f s GLN 83 Ca 0.04 1.25 0.03 0.00 -1.95 0.00 0.00 55.36 54.73 2k1f s GLN 83 Cb -0.25 -2.78 -0.01 0.00 -0.22 0.00 0.00 33.01 29.75 2k1f s GLN 83 CO 0.04 0.28 -0.09 -1.14 -0.25 0.00 0.00 175.29 174.13 2k1f s GLN 84 N -2.10 0.70 5.11 2.91 2.00 -1.11 -4.91 119.66 122.27 2k1f s GLN 84 Ca 0.50 -0.47 0.00 0.00 -2.00 0.00 0.00 55.36 53.39 2k1f s GLN 84 Cb -0.18 -0.66 0.00 0.00 0.80 0.00 0.00 33.01 32.98 2k1f s GLN 84 CO 0.23 0.17 0.00 0.94 -0.50 0.00 0.00 175.29 176.13 2k1f n GLN 85 N 2.44 0.00 -3.91 1.67 0.00 -1.26 -4.78 117.38 111.55 2k1f n GLN 85 Ca -0.16 0.00 -0.30 0.00 -0.00 0.00 0.00 57.00 56.54 2k1f n GLN 85 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.76 2k1f n GLN 85 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 2k1f s THR 86 N 0.00 5.36 0.00 1.69 -1.32 -1.26 -5.12 115.64 114.99 2k1f s THR 86 Ca 0.00 -0.42 0.00 0.00 -1.21 0.00 0.00 61.69 60.06 2k1f s THR 86 Cb 0.00 -3.65 0.00 0.00 -1.51 0.00 0.00 72.50 67.34 2k1f s THR 86 CO 0.00 0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.10 2k1f n GLY 87 N 0.09 4.30 0.00 6.08 0.00 -1.26 -5.13 105.19 109.28 2k1f n GLY 87 Ca -0.05 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.24 2k1f n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93