#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 -6.60 0.00 7.83 7.64 -1.26 -4.90 113.62 116.33 2k1f n SER 2 Ca 0.00 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.25 2k1f n SER 2 Cb 0.00 -4.76 0.00 0.00 -1.01 0.00 0.00 64.21 58.44 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 -2.76 0.00 0.00 6.43 2.03 -1.26 -5.18 116.55 115.81 2k1f n ASP 3 Ca -0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.24 2k1f n ASP 3 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 2k1f n ASP 3 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2k1f n GLU 4 N 0.00 0.00 0.00 -0.67 2.13 -1.26 -5.12 120.64 115.72 2k1f n GLU 4 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2k1f n GLU 4 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2k1f n GLU 4 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2k1f n LYS 5 N 1.99 0.00 -4.50 5.31 0.00 -1.26 -5.17 118.16 114.53 2k1f n LYS 5 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.07 2k1f n LYS 5 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 34.93 2k1f n LYS 5 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2k1f s LYS 6 N -1.48 1.76 0.00 -1.58 0.00 -1.26 -5.13 119.74 112.05 2k1f s LYS 6 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 55.97 53.98 2k1f s LYS 6 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 37.83 36.78 2k1f s LYS 6 CO 0.00 -0.18 0.00 0.41 0.00 0.00 0.00 175.35 175.58 2k1f n GLY 7 N -0.78 2.16 3.88 0.59 0.00 -1.26 -5.17 105.19 104.61 2k1f n GLY 7 Ca -0.04 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.11 5.00 -0.02 0.00 -1.26 -4.96 105.19 101.85 2k1f n GLY 8 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 2k1f n GLY 8 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k1f n GLU 9 N -0.70 0.00 -4.34 1.61 2.13 -1.26 -4.82 120.64 113.27 2k1f n GLU 9 Ca 0.00 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.62 2k1f n GLU 9 Cb 0.03 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.65 2k1f n GLU 9 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2k1f s THR 10 N 0.00 0.23 -0.29 6.31 -4.23 -1.26 -5.12 115.64 111.28 2k1f s THR 10 Ca 0.00 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.22 2k1f s THR 10 Cb 0.00 -2.48 0.01 0.00 1.34 0.00 0.00 72.50 71.38 2k1f s THR 10 CO 0.00 0.00 1.06 -0.70 -0.54 0.00 0.00 174.62 174.44 2k1f s GLU 11 N -3.70 4.13 0.11 3.99 2.12 -1.26 -5.00 118.70 119.09 2k1f s GLU 11 Ca 0.36 1.17 0.09 0.00 0.36 0.00 0.00 54.97 56.95 2k1f s GLU 11 Cb 0.04 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.69 2k1f s GLU 11 CO 0.20 -0.81 -0.20 -3.38 -0.54 0.00 0.00 175.26 170.53 2k1f s HIS 12 N 3.50 2.48 0.09 5.30 -3.43 -1.26 -0.61 115.29 121.36 2k1f s HIS 12 Ca 0.45 -0.29 0.04 0.00 -0.80 0.00 0.00 55.06 54.45 2k1f s HIS 12 Cb -0.13 -1.34 -0.03 0.00 -1.43 0.00 0.00 32.58 29.64 2k1f s HIS 12 CO 0.12 0.35 -0.11 0.96 -2.00 0.00 0.00 174.74 174.06 2k1f s ILE 13 N -1.09 0.95 0.29 -5.38 -4.36 0.24 -4.91 121.20 106.94 2k1f s ILE 13 Ca 0.16 -1.56 -0.04 0.00 -0.26 0.00 0.00 60.65 58.96 2k1f s ILE 13 Cb -0.10 -1.27 -0.05 0.00 1.25 0.00 0.00 42.46 42.29 2k1f s ILE 13 CO 0.08 -0.50 0.54 0.20 0.24 0.00 0.00 174.94 175.51 2k1f s ASN 14 N -2.29 6.41 0.02 4.36 -0.87 -1.26 -0.62 114.94 120.68 2k1f s ASN 14 Ca 0.03 0.64 0.04 0.00 -1.57 0.00 0.00 52.86 52.00 2k1f s ASN 14 Cb -0.04 -2.11 -0.01 0.00 -0.02 0.00 0.00 41.25 39.06 2k1f s ASN 14 CO 0.00 -0.21 -0.11 -0.76 -2.57 0.00 0.00 177.10 173.46 2k1f s LEU 15 N -3.68 2.10 -0.18 0.60 1.02 -0.44 -0.05 118.68 118.06 2k1f s LEU 15 Ca 0.43 -0.32 -0.00 0.00 0.02 0.00 0.00 54.13 54.25 2k1f s LEU 15 Cb -0.11 -0.49 0.00 0.00 0.02 0.00 0.00 46.19 45.61 2k1f s LEU 15 CO 0.31 0.05 -0.15 -0.54 0.02 0.00 0.00 176.35 176.04 2k1f s LYS 16 N -0.73 3.17 -0.22 1.70 1.02 0.53 -2.15 119.74 123.07 2k1f s LYS 16 Ca 0.01 -0.75 -0.05 0.00 0.02 0.00 0.00 55.97 55.20 2k1f s LYS 16 Cb -0.06 -2.68 -0.02 0.00 -0.52 0.00 0.00 37.83 34.56 2k1f s LYS 16 CO 0.00 -0.10 -0.01 0.08 -0.92 0.00 0.00 175.35 174.40 2k1f s VAL 17 N 1.10 3.72 -0.27 3.17 1.01 0.11 -1.43 120.40 127.80 2k1f s VAL 17 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.60 2k1f s VAL 17 Cb -0.14 -2.69 0.05 0.00 0.00 0.00 0.00 36.38 33.59 2k1f s VAL 17 CO -0.05 0.41 -0.06 -0.76 0.00 0.00 0.00 175.10 174.64 2k1f s LEU 18 N 1.31 3.50 0.75 3.92 1.02 -0.23 -0.74 118.68 128.23 2k1f s LEU 18 Ca 0.04 -1.21 -0.12 0.00 0.02 0.00 0.00 54.13 52.87 2k1f s LEU 18 Cb -0.15 -1.63 0.04 0.00 0.02 0.00 0.00 46.19 44.48 2k1f s LEU 18 CO -0.00 -0.19 1.12 -0.83 0.02 0.00 0.00 176.35 176.46 2k1f s GLY 19 N 1.21 1.62 0.00 -3.19 0.00 0.56 -0.50 107.32 107.03 2k1f s GLY 19 Ca -0.05 -0.40 0.25 0.00 0.00 0.00 0.00 44.72 44.51 2k1f s GLY 19 CO -0.04 0.01 1.36 0.61 0.00 0.00 0.00 173.10 175.05 2k1f n GLN 20 N -3.17 0.72 -0.04 2.90 -0.00 -1.13 -4.41 117.38 112.25 2k1f n GLN 20 Ca 0.07 -0.49 -0.02 0.00 -0.00 0.00 0.00 57.00 56.56 2k1f n GLN 20 Cb 0.58 -1.49 -0.01 0.00 -0.00 0.00 0.00 30.24 29.33 2k1f n GLN 20 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 2k1f h ASP 21 N 1.21 0.00 0.00 2.61 3.04 -1.95 -3.48 116.42 117.84 2k1f h ASP 21 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k1f h ASP 21 Cb 0.57 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.86 2k1f h ASP 21 CO 0.00 0.40 0.00 -3.20 -2.04 0.00 0.00 179.24 174.40 2k1f n ASN 22 N -3.73 0.00 -4.64 4.15 4.05 -1.26 -5.15 115.26 108.67 2k1f n ASN 22 Ca -0.02 -0.16 -0.43 0.00 0.45 0.00 0.00 54.58 54.42 2k1f n ASN 22 Cb 0.09 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.08 2k1f n ASN 22 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k1f s ALA 23 N 0.00 3.52 -0.21 5.20 0.00 -1.26 -4.87 121.76 124.14 2k1f s ALA 23 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 51.96 52.03 2k1f s ALA 23 Cb 0.00 -3.67 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 2k1f s ALA 23 CO 0.00 -1.44 -0.03 0.08 0.00 0.00 0.00 175.76 174.37 2k1f s VAL 24 N 3.74 3.51 0.03 0.00 1.01 -1.26 -0.32 120.40 127.11 2k1f s VAL 24 Ca 0.50 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 62.09 2k1f s VAL 24 Cb -0.15 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2k1f s VAL 24 CO 0.16 0.42 -0.18 -0.69 0.00 0.00 0.00 175.10 174.81 2k1f s VAL 25 N 1.33 2.78 0.00 2.92 1.01 0.09 -4.98 120.40 123.55 2k1f s VAL 25 Ca 0.04 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 60.88 2k1f s VAL 25 Cb -0.14 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 2k1f s VAL 25 CO -0.01 0.36 -0.06 -1.10 0.00 0.00 0.00 175.10 174.29 2k1f s GLN 26 N -1.37 0.44 0.27 2.72 -0.21 -1.26 0.07 119.66 120.33 2k1f s GLN 26 Ca 0.14 -0.27 -0.16 0.00 0.02 0.00 0.00 55.36 55.10 2k1f s GLN 26 Cb -0.10 -0.39 0.01 0.00 1.00 0.00 0.00 33.01 33.52 2k1f s GLN 26 CO 0.05 0.10 0.60 -0.59 -2.12 0.00 0.00 175.29 173.33 2k1f s PHE 27 N -0.29 0.14 0.05 0.91 -0.12 -0.91 -5.03 117.98 112.73 2k1f s PHE 27 Ca 0.00 -0.56 0.08 0.00 -0.05 0.00 0.00 56.93 56.40 2k1f s PHE 27 Cb -0.03 0.44 -0.03 0.00 -0.63 0.00 0.00 43.02 42.77 2k1f s PHE 27 CO -0.00 -1.14 -0.21 -1.59 -0.05 0.00 0.00 175.22 172.23 2k1f s LYS 28 N -3.85 1.38 0.15 1.99 -2.85 -1.26 -1.33 119.74 113.97 2k1f s LYS 28 Ca 0.17 -1.00 0.09 0.00 -1.00 0.00 0.00 55.97 54.23 2k1f s LYS 28 Cb -0.03 -1.53 -0.04 0.00 -2.06 0.00 0.00 37.83 34.17 2k1f s LYS 28 CO 0.09 0.39 -0.19 -1.50 0.10 0.00 0.00 175.35 174.23 2k1f s ILE 29 N -0.86 1.82 0.34 3.79 2.07 0.21 -4.95 121.20 123.61 2k1f s ILE 29 Ca 0.08 -1.82 -0.27 0.00 -1.41 0.00 0.00 60.65 57.23 2k1f s ILE 29 Cb -0.09 -1.78 -0.09 0.00 0.13 0.00 0.00 42.46 40.63 2k1f s ILE 29 CO 0.02 -0.23 1.09 -0.54 -1.91 0.00 0.00 174.94 173.38 2k1f s LYS 30 N -2.53 4.39 0.46 3.50 3.01 -1.26 -0.59 119.74 126.72 2k1f s LYS 30 Ca 0.13 1.71 0.30 0.00 -1.01 0.00 0.00 55.97 57.10 2k1f s LYS 30 Cb -0.07 -2.89 1.10 0.00 -1.01 0.00 0.00 37.83 34.96 2k1f s LYS 30 CO 0.06 0.01 1.86 0.87 0.51 0.00 0.00 175.35 178.67 2k1f h LYS 31 N 3.19 0.00 0.00 1.68 1.57 -1.21 -3.30 116.57 118.50 2k1f h LYS 31 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2k1f h LYS 31 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2k1f h LYS 31 CO 0.65 0.00 -0.24 0.72 -0.57 0.00 0.00 179.45 180.01 2k1f n HIS 32 N -2.89 0.17 -4.21 -1.35 8.25 -1.26 -4.30 115.22 109.63 2k1f n HIS 32 Ca 0.02 0.05 -0.26 0.00 -0.26 0.00 0.00 57.72 57.26 2k1f n HIS 32 Cb 0.34 -0.49 -0.08 0.00 1.12 0.00 0.00 29.99 30.88 2k1f n HIS 32 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2k1f s THR 33 N -3.03 3.68 0.73 1.59 -4.23 -1.24 -5.04 115.64 108.10 2k1f s THR 33 Ca 0.12 -1.45 -0.12 0.00 -1.18 0.00 0.00 61.69 59.06 2k1f s THR 33 Cb 0.17 -2.85 0.03 0.00 1.34 0.00 0.00 72.50 71.19 2k1f s THR 33 CO 0.62 -0.12 1.11 -2.16 -0.54 0.00 0.00 174.62 173.53 2k1f s PRO 34 N -2.96 2.64 0.43 3.99 0.04 -1.26 -4.58 135.00 133.30 2k1f s PRO 34 Ca 0.27 0.43 0.09 0.00 0.04 0.00 0.00 61.00 61.83 2k1f s PRO 34 Cb -0.09 -2.00 0.92 0.00 0.04 0.00 0.00 34.50 33.37 2k1f s PRO 34 CO 0.18 -1.18 2.05 -0.07 0.04 0.00 0.00 177.00 178.02 2k1f h LEU 35 N -0.76 0.35 -1.05 -3.56 -0.00 -1.26 -2.97 115.31 106.06 2k1f h LEU 35 Ca -0.45 -0.02 0.26 0.00 -0.00 0.00 0.00 57.88 57.67 2k1f h LEU 35 Cb 1.27 -0.09 -0.12 0.00 -0.00 0.00 0.00 40.66 41.71 2k1f h LEU 35 CO 0.64 0.29 0.60 -0.09 -0.00 0.00 0.00 178.44 179.88 2k1f h ARG 36 N 0.41 0.51 0.07 1.13 1.12 -1.29 -0.24 114.38 116.09 2k1f h ARG 36 Ca 0.11 -0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 58.94 2k1f h ARG 36 Cb 0.01 -0.12 -0.00 0.00 -0.01 0.00 0.00 29.97 29.86 2k1f h ARG 36 CO -0.02 0.34 -0.04 -0.22 -3.11 0.00 0.00 179.97 176.92 2k1f h LYS 37 N 0.53 -0.10 -0.11 0.20 3.11 -1.82 -0.77 116.57 117.61 2k1f h LYS 37 Ca 0.65 0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 58.45 2k1f h LYS 37 Cb 1.32 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 32.58 2k1f h LYS 37 CO -0.47 -0.06 -0.14 1.25 -2.81 0.00 0.00 179.45 177.21 2k1f h LEU 38 N -0.10 0.31 -0.21 5.20 6.46 -1.60 -2.82 115.31 122.55 2k1f h LEU 38 Ca -0.01 -0.51 0.05 0.00 -0.12 0.00 0.00 57.88 57.29 2k1f h LEU 38 Cb 0.08 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 39.87 2k1f h LEU 38 CO 0.01 0.76 -0.10 0.24 -0.62 0.00 0.00 178.44 178.73 2k1f h MET 39 N -0.13 -0.08 -0.39 1.25 2.86 -1.00 0.94 114.93 118.38 2k1f h MET 39 Ca 0.01 0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.55 2k1f h MET 39 Cb 0.68 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 2k1f h MET 39 CO 0.03 -0.05 -0.19 -0.97 1.06 0.00 0.00 176.91 176.79 2k1f h ASN 40 N -0.08 0.75 -0.48 1.22 -0.00 -1.26 -1.12 115.58 114.61 2k1f h ASN 40 Ca 0.11 -0.25 -0.03 0.00 -0.00 0.00 0.00 56.30 56.13 2k1f h ASN 40 Cb 0.25 -0.20 -0.02 0.00 -0.00 0.00 0.00 38.32 38.34 2k1f h ASN 40 CO -0.26 0.94 0.19 0.00 -0.00 0.00 0.00 177.43 178.29 2k1f h ALA 41 N 1.13 0.63 -0.43 1.57 0.00 -1.17 -0.90 119.26 120.07 2k1f h ALA 41 Ca 0.10 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2k1f h ALA 41 Cb 0.69 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2k1f h ALA 41 CO 0.05 0.24 0.02 -0.92 0.00 0.00 0.00 179.25 178.64 2k1f h TYR 42 N 0.64 0.82 0.43 0.00 5.03 -0.74 -1.43 116.97 121.73 2k1f h TYR 42 Ca 0.16 -0.14 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 2k1f h TYR 42 Cb 0.21 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.25 2k1f h TYR 42 CO 0.01 0.80 -0.45 0.00 -1.32 0.00 0.00 178.16 177.20 2k1f h ASP 44 N -0.90 0.00 0.01 0.00 5.19 -1.19 0.26 116.42 119.79 2k1f h ASP 44 Ca -0.04 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.30 2k1f h ASP 44 Cb 0.79 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.31 2k1f h ASP 44 CO -0.07 0.00 -0.26 -0.09 -3.12 0.00 0.00 179.24 175.69 2k1f h ARG 45 N 0.00 0.15 -0.29 3.56 1.12 -1.20 -3.37 114.38 114.35 2k1f h ARG 45 Ca 0.00 -0.18 -0.19 0.00 -1.11 0.00 0.00 59.98 58.50 2k1f h ARG 45 Cb 0.58 0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.60 2k1f h ARG 45 CO 0.00 0.96 -0.56 0.00 -3.11 0.00 0.00 179.97 177.27 2k1f h ALA 46 N 0.20 0.46 0.00 2.80 0.00 -1.10 -3.48 119.26 118.14 2k1f h ALA 46 Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2k1f h ALA 46 Cb 1.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2k1f h ALA 46 CO 0.05 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.39 2k1f n GLY 47 N 0.38 1.31 3.94 0.00 0.00 0.82 -5.10 105.19 106.54 2k1f n GLY 47 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 0.99 -0.00 -0.68 -4.99 117.00 112.32 2k1f n LEU 48 Ca 0.00 -2.75 -0.12 0.00 -0.00 0.00 0.00 56.01 53.14 2k1f n LEU 48 Cb 0.00 -0.23 -0.01 0.00 -0.00 0.00 0.00 43.42 43.18 2k1f n LEU 48 CO 0.00 -0.65 0.28 -1.20 -0.00 0.00 0.00 177.39 175.82 2k1f n SER 49 N -2.06 -1.61 0.00 1.45 7.64 -1.26 -4.44 113.62 113.34 2k1f n SER 49 Ca 0.07 -2.72 0.13 0.00 1.01 0.00 0.00 58.87 57.36 2k1f n SER 49 Cb 0.63 2.85 0.65 0.00 -1.01 0.00 0.00 64.21 67.33 2k1f n SER 49 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2k1f n MET 50 N -0.54 0.36 0.17 1.43 1.56 -1.26 -2.00 117.12 116.83 2k1f n MET 50 Ca -0.02 0.04 0.05 0.00 -0.27 0.00 0.00 57.70 57.49 2k1f n MET 50 Cb 0.56 -1.50 0.49 0.00 2.15 0.00 0.00 33.22 34.92 2k1f n MET 50 CO 0.00 0.00 0.00 1.96 -0.73 0.00 0.00 175.97 177.20 2k1f h GLN 51 N 0.00 0.15 0.00 2.12 1.08 -2.01 -3.37 115.11 113.07 2k1f h GLN 51 Ca 0.00 -0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 57.07 2k1f h GLN 51 Cb 0.25 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 2k1f h GLN 51 CO 0.00 0.23 -1.19 1.33 -0.95 0.00 0.00 178.83 178.25 2k1f n VAL 52 N -4.37 1.37 -2.91 -0.54 0.24 -0.97 -4.88 118.33 106.27 2k1f n VAL 52 Ca -0.01 0.06 -0.42 0.00 -2.04 0.00 0.00 64.34 61.92 2k1f n VAL 52 Cb 0.20 -2.07 -0.05 0.00 -1.47 0.00 0.00 33.84 30.45 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 -2.62 4.66 -0.15 3.34 1.01 -0.85 -4.02 120.40 121.78 2k1f s VAL 53 Ca -0.25 0.90 -0.02 0.00 0.00 0.00 0.00 61.98 62.61 2k1f s VAL 53 Cb 0.06 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 2k1f s VAL 53 CO 0.35 -0.53 -0.08 -0.13 0.00 0.00 0.00 175.10 174.71 2k1f s ARG 54 N 3.28 3.51 0.02 2.72 3.00 -0.00 -4.46 118.95 127.02 2k1f s ARG 54 Ca 0.33 -0.60 -0.00 0.00 0.00 0.00 0.00 55.73 55.46 2k1f s ARG 54 Cb -0.12 -2.80 -0.04 0.00 0.00 0.00 0.00 34.95 31.99 2k1f s ARG 54 CO 0.19 0.18 0.11 -0.06 0.00 0.00 0.00 175.30 175.72 2k1f s PHE 55 N 0.48 3.34 -0.01 -0.53 0.08 -1.26 -0.60 117.98 119.49 2k1f s PHE 55 Ca -0.06 0.21 0.02 0.00 0.12 0.00 0.00 56.93 57.23 2k1f s PHE 55 Cb -0.15 -1.73 -0.01 0.00 -0.57 0.00 0.00 43.02 40.56 2k1f s PHE 55 CO 0.04 0.57 -0.07 1.03 -0.10 0.00 0.00 175.22 176.68 2k1f s ARG 56 N -1.98 0.61 -0.32 0.44 0.52 -0.73 -4.59 118.95 112.91 2k1f s ARG 56 Ca 0.26 -0.27 -0.10 0.00 -0.52 0.00 0.00 55.73 55.11 2k1f s ARG 56 Cb -0.12 -0.59 0.00 0.00 0.52 0.00 0.00 34.95 34.76 2k1f s ARG 56 CO 0.18 0.16 0.15 0.12 0.02 0.00 0.00 175.30 175.93 2k1f s PHE 57 N -0.17 3.19 0.00 -0.53 5.36 0.26 -2.19 117.98 123.90 2k1f s PHE 57 Ca 0.03 -0.67 0.00 0.00 -0.96 0.00 0.00 56.93 55.32 2k1f s PHE 57 Cb -0.03 -2.36 0.00 0.00 -0.34 0.00 0.00 43.02 40.29 2k1f s PHE 57 CO -0.00 -0.50 0.00 -3.47 -1.46 0.00 0.00 175.22 169.79 2k1f n ASP 58 N 4.97 0.00 0.00 6.13 2.03 -1.26 -1.79 116.55 126.63 2k1f n ASP 58 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 2k1f n ASP 58 Cb 0.48 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 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 -0.76 0.40 3.85 0.27 0.00 -1.26 -5.16 105.19 102.53 2k1f n GLY 59 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 2.75 0.59 1.61 -1.52 -0.74 -5.01 119.66 117.34 2k1f s GLN 60 Ca 0.00 -1.26 -0.16 0.00 -1.95 0.00 0.00 55.36 51.99 2k1f s GLN 60 Cb 0.00 -2.49 -0.04 0.00 -0.22 0.00 0.00 33.01 30.26 2k1f s GLN 60 CO 0.00 0.15 1.06 -1.25 -0.25 0.00 0.00 175.29 175.00 2k1f s PRO 61 N -3.97 3.32 0.30 2.91 0.04 -1.26 -0.57 135.00 135.77 2k1f s PRO 61 Ca 0.39 1.25 0.06 0.00 0.04 0.00 0.00 61.00 62.75 2k1f s PRO 61 Cb -0.06 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 2k1f s PRO 61 CO 0.26 -0.81 -0.03 -1.50 0.04 0.00 0.00 177.00 174.96 2k1f s ILE 62 N -2.37 1.58 0.40 0.56 2.07 -1.26 -4.81 121.20 117.38 2k1f s ILE 62 Ca 0.65 -2.09 0.08 0.00 -1.41 0.00 0.00 60.65 57.87 2k1f s ILE 62 Cb -0.17 -2.56 -0.05 0.00 0.13 0.00 0.00 42.46 39.81 2k1f s ILE 62 CO 0.35 -0.22 0.17 0.20 -1.91 0.00 0.00 174.94 173.54 2k1f s ASN 63 N -3.47 4.46 -0.03 4.50 0.01 -1.26 -5.05 114.94 114.10 2k1f s ASN 63 Ca 0.31 -1.03 0.20 0.00 -0.71 0.00 0.00 52.86 51.63 2k1f s ASN 63 Cb 0.05 -0.51 -0.23 0.00 0.41 0.00 0.00 41.25 40.97 2k1f s ASN 63 CO 0.13 -0.51 0.52 -1.84 -1.51 0.00 0.00 177.10 173.89 2k1f n GLU 64 N -1.23 0.65 0.27 -0.60 0.00 -1.26 -4.15 120.64 114.33 2k1f n GLU 64 Ca -0.01 -0.01 0.17 0.00 0.00 0.00 0.00 57.16 57.30 2k1f n GLU 64 Cb 0.64 -1.62 0.65 0.00 0.00 0.00 0.00 31.44 31.11 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 -3.48 -1.84 -1.24 -1.95 0.16 115.58 107.22 2k1f h ASN 65 Ca -0.19 0.00 -0.52 0.00 0.71 0.00 0.00 56.30 56.30 2k1f h ASN 65 Cb 1.47 0.00 0.04 0.00 0.73 0.00 0.00 38.32 40.57 2k1f h ASN 65 CO 0.02 0.01 0.67 -1.81 -1.29 0.00 0.00 177.43 175.04 2k1f s ASP 66 N -5.75 6.82 -0.10 1.15 1.01 -1.26 -4.72 116.67 113.82 2k1f s ASP 66 Ca 0.01 2.52 -0.14 0.00 0.71 0.00 0.00 52.55 55.65 2k1f s ASP 66 Cb 0.09 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 2k1f s ASP 66 CO 0.55 -0.56 0.35 0.42 0.21 0.00 0.00 175.17 176.14 2k1f s THR 67 N -0.18 5.22 -0.70 -1.27 -4.23 -1.26 -2.67 115.64 110.55 2k1f s THR 67 Ca 0.56 0.68 0.23 0.00 -1.18 0.00 0.00 61.69 61.98 2k1f s THR 67 Cb -0.38 -3.67 0.23 0.00 1.34 0.00 0.00 72.50 70.02 2k1f s THR 67 CO 0.42 0.46 1.71 -0.81 -0.54 0.00 0.00 174.62 175.85 2k1f n PRO 68 N 2.92 0.15 0.25 3.99 -0.04 -1.26 -2.01 135.00 139.01 2k1f n PRO 68 Ca -0.12 0.29 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 2k1f n PRO 68 Cb 0.52 -1.74 0.66 0.00 -0.04 0.00 0.00 33.50 32.90 2k1f n PRO 68 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2k1f h THR 69 N 0.00 0.66 0.00 0.52 1.35 -1.95 -2.78 112.91 110.70 2k1f h THR 69 Ca 0.00 -0.65 -0.17 0.00 -0.55 0.00 0.00 66.41 65.04 2k1f h THR 69 Cb 0.45 1.41 -0.02 0.00 -1.73 0.00 0.00 68.15 68.26 2k1f h THR 69 CO 0.00 0.15 -0.80 0.28 -0.25 0.00 0.00 175.52 174.90 2k1f h SER 70 N 0.00 0.00 0.50 5.36 0.02 -1.80 -3.38 113.55 114.25 2k1f h SER 70 Ca -0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 2k1f h SER 70 Cb 0.40 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 2k1f h SER 70 CO 0.02 0.80 -1.67 0.25 -1.14 0.00 0.00 176.83 175.09 2k1f h LEU 71 N 0.00 0.06 -2.64 5.07 5.85 -1.60 -3.49 115.31 118.55 2k1f h LEU 71 Ca -0.01 -0.12 -0.16 0.00 0.84 0.00 0.00 57.88 58.43 2k1f h LEU 71 Cb 1.58 -0.02 0.13 0.00 0.37 0.00 0.00 40.66 42.72 2k1f h LEU 71 CO 0.10 1.11 -0.56 -0.62 -0.34 0.00 0.00 178.44 178.13 2k1f n GLU 72 N -3.13 -1.48 -4.08 1.25 1.02 -1.15 -5.07 120.64 108.00 2k1f n GLU 72 Ca -0.17 0.57 -0.32 0.00 -0.02 0.00 0.00 57.16 57.23 2k1f n GLU 72 Cb 1.04 -4.36 -0.07 0.00 -0.02 0.00 0.00 31.44 28.04 2k1f n GLU 72 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k1f s MET 73 N -3.91 2.97 0.79 3.49 0.23 -1.26 -5.13 119.30 116.49 2k1f s MET 73 Ca 0.30 -0.59 -0.10 0.00 -1.03 0.00 0.00 55.69 54.27 2k1f s MET 73 Cb -0.04 -2.79 0.10 0.00 -1.53 0.00 0.00 34.83 30.57 2k1f s MET 73 CO 0.49 0.60 1.13 -1.21 -2.03 0.00 0.00 175.02 174.00 2k1f s GLU 74 N -2.08 1.81 0.18 3.16 2.02 -1.26 -5.04 118.70 117.48 2k1f s GLU 74 Ca 0.26 -0.20 -0.30 0.00 0.02 0.00 0.00 54.97 54.75 2k1f s GLU 74 Cb -0.12 -2.04 -0.08 0.00 0.10 0.00 0.00 34.13 31.98 2k1f s GLU 74 CO 0.18 -1.59 1.27 -1.83 0.02 0.00 0.00 175.26 173.31 2k1f s GLU 75 N -5.47 4.42 0.00 1.61 -1.05 -1.26 -4.35 118.70 112.60 2k1f s GLU 75 Ca 0.64 1.97 0.00 0.00 -0.15 0.00 0.00 54.97 57.43 2k1f s GLU 75 Cb -0.09 -3.22 0.00 0.00 -0.44 0.00 0.00 34.13 30.37 2k1f s GLU 75 CO 0.48 -0.21 0.00 0.41 0.95 0.00 0.00 175.26 176.89 2k1f n GLY 76 N 2.42 0.55 3.76 -3.83 0.00 0.93 -4.80 105.19 104.20 2k1f n GLY 76 Ca 0.06 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.89 4.29 -0.76 1.61 2.15 -1.20 -4.72 116.67 116.16 2k1f s ASP 77 Ca 0.00 1.87 0.01 0.00 0.43 0.00 0.00 52.55 54.86 2k1f s ASP 77 Cb 0.00 -2.53 0.19 0.00 -0.30 0.00 0.00 42.92 40.28 2k1f s ASP 77 CO 0.00 -2.18 0.59 0.42 -0.17 0.00 0.00 175.17 173.82 2k1f s THR 78 N -2.87 3.61 -0.15 1.71 -4.23 -1.26 -0.34 115.64 112.11 2k1f s THR 78 Ca 0.62 -3.83 -0.12 0.00 -1.18 0.00 0.00 61.69 57.18 2k1f s THR 78 Cb -0.18 -3.31 -0.05 0.00 1.34 0.00 0.00 72.50 70.30 2k1f s THR 78 CO 0.56 -1.00 0.26 -0.51 -0.54 0.00 0.00 174.62 173.39 2k1f s ILE 79 N -1.10 5.32 0.04 2.99 2.07 -0.52 -4.61 121.20 125.40 2k1f s ILE 79 Ca 0.24 0.47 -0.07 0.00 -1.41 0.00 0.00 60.65 59.88 2k1f s ILE 79 Cb -0.10 -3.58 -0.05 0.00 0.13 0.00 0.00 42.46 38.86 2k1f s ILE 79 CO -0.11 0.44 0.31 -1.83 -1.91 0.00 0.00 174.94 171.84 2k1f s GLU 80 N 0.13 3.62 -0.10 3.50 -1.05 -0.93 -1.06 118.70 122.80 2k1f s GLU 80 Ca 0.15 -0.03 0.03 0.00 -0.15 0.00 0.00 54.97 54.97 2k1f s GLU 80 Cb -0.13 -3.04 -0.01 0.00 -0.44 0.00 0.00 34.13 30.52 2k1f s GLU 80 CO 0.04 0.61 -0.20 0.08 0.95 0.00 0.00 175.26 176.74 2k1f s VAL 81 N -1.36 2.46 0.01 1.83 1.01 0.35 -1.77 120.40 122.93 2k1f s VAL 81 Ca 0.30 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.43 2k1f s VAL 81 Cb -0.13 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2k1f s VAL 81 CO 0.18 0.55 -0.04 -0.47 0.00 0.00 0.00 175.10 175.32 2k1f s TYR 82 N 0.23 2.95 0.00 5.22 5.04 0.23 -2.84 117.35 128.18 2k1f s TYR 82 Ca -0.13 -0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.50 2k1f s TYR 82 Cb -0.16 -1.61 0.00 0.00 0.35 0.00 0.00 41.96 40.53 2k1f s TYR 82 CO 0.07 0.41 0.00 0.00 -1.34 0.00 0.00 175.55 174.69 2k1f n GLN 83 N 1.37 3.17 -2.79 4.97 10.64 -1.26 -0.82 117.38 132.66 2k1f n GLN 83 Ca -0.15 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 54.88 2k1f n GLN 83 Cb 0.52 0.00 -0.00 0.00 -0.86 0.00 0.00 30.24 29.90 2k1f n GLN 83 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k1f n GLN 84 N 0.00 1.10 -2.94 2.61 10.64 -1.26 -4.78 117.38 122.75 2k1f n GLN 84 Ca 0.00 -1.81 -0.42 0.00 -1.83 0.00 0.00 57.00 52.94 2k1f n GLN 84 Cb 0.00 0.23 -0.05 0.00 -0.86 0.00 0.00 30.24 29.56 2k1f n GLN 84 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 2k1f s GLN 85 N -3.15 4.03 -1.25 2.61 -0.21 -1.26 -4.99 119.66 115.44 2k1f s GLN 85 Ca 0.14 0.68 -0.18 0.00 0.02 0.00 0.00 55.36 56.03 2k1f s GLN 85 Cb -0.01 -3.70 0.09 0.00 1.00 0.00 0.00 33.01 30.39 2k1f s GLN 85 CO 0.09 -0.62 1.64 0.95 -2.12 0.00 0.00 175.29 175.23 2k1f s THR 86 N 2.91 4.28 -0.41 -0.19 -4.23 -1.26 -4.61 115.64 112.12 2k1f s THR 86 Ca 0.33 -1.94 0.07 0.00 -1.18 0.00 0.00 61.69 58.97 2k1f s THR 86 Cb -0.14 -5.13 0.35 0.00 1.34 0.00 0.00 72.50 68.92 2k1f s THR 86 CO 0.11 -1.94 1.26 0.61 -0.54 0.00 0.00 174.62 174.13 2k1f n GLY 87 N 5.30 0.88 0.00 3.99 0.00 -1.26 -5.34 105.19 108.76 2k1f n GLY 87 Ca 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2k1f n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93