#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kz0 n GLY 2 N 0.00 1.01 3.55 0.55 0.00 -1.26 -4.82 105.19 104.22 2kz0 n GLY 2 Ca 0.00 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.75 2kz0 n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kz0 s SER 3 N -4.00 6.13 0.21 1.61 0.01 -1.26 -4.78 113.70 111.62 2kz0 s SER 3 Ca 0.00 -0.80 0.03 0.00 1.31 0.00 0.00 55.95 56.48 2kz0 s SER 3 Cb 0.00 -2.56 0.16 0.00 0.21 0.00 0.00 66.02 63.83 2kz0 s SER 3 CO 0.00 -1.84 1.50 0.24 0.41 0.00 0.00 173.24 173.55 2kz0 h MET 4 N 10.50 0.27 -5.14 12.44 0.00 -2.07 -3.38 114.93 127.55 2kz0 h MET 4 Ca -0.05 -0.21 -0.67 0.00 0.00 0.00 0.00 59.70 58.76 2kz0 h MET 4 Cb 1.04 0.04 -0.17 0.00 0.00 0.00 0.00 31.60 32.51 2kz0 h MET 4 CO 1.33 0.85 -0.02 0.99 0.00 0.00 0.00 176.91 180.05 2kz0 s THR 5 N -3.63 4.94 0.14 2.22 2.01 -1.26 -5.05 115.64 115.00 2kz0 s THR 5 Ca -0.04 -0.13 -0.20 0.00 0.31 0.00 0.00 61.69 61.62 2kz0 s THR 5 Cb 0.11 -4.14 -0.07 0.00 0.01 0.00 0.00 72.50 68.41 2kz0 s THR 5 CO 0.81 -0.54 0.65 0.68 -0.69 0.00 0.00 174.62 175.54 2kz0 s VAL 6 N 2.51 4.62 0.53 3.82 -7.23 -1.26 -5.07 120.40 118.32 2kz0 s VAL 6 Ca 0.18 1.31 -0.09 0.00 -1.81 0.00 0.00 61.98 61.56 2kz0 s VAL 6 Cb -0.16 -3.93 -0.05 0.00 0.56 0.00 0.00 36.38 32.80 2kz0 s VAL 6 CO 0.16 0.44 0.90 -0.89 -0.31 0.00 0.00 175.10 175.40 2kz0 s THR 7 N -1.25 4.77 -1.79 5.32 2.01 -1.26 -3.72 115.64 119.72 2kz0 s THR 7 Ca 0.35 0.64 0.00 0.00 0.31 0.00 0.00 61.69 62.99 2kz0 s THR 7 Cb -0.19 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.48 2kz0 s THR 7 CO 0.21 -0.91 0.00 0.00 -0.69 0.00 0.00 174.62 173.24 2kz0 n GLN 8 N -2.25 -1.69 -0.32 4.92 6.02 -1.26 -4.87 117.38 117.94 2kz0 n GLN 8 Ca 0.04 1.01 -0.00 0.00 -0.01 0.00 0.00 57.00 58.03 2kz0 n GLN 8 Cb 0.54 -5.62 0.17 0.00 1.02 0.00 0.00 30.24 26.35 2kz0 n GLN 8 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2kz0 h SER 9 N 0.00 1.03 -0.21 1.08 4.64 -2.00 -0.82 113.55 117.27 2kz0 h SER 9 Ca -0.46 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 60.76 2kz0 h SER 9 Cb 1.34 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 2kz0 h SER 9 CO 0.57 0.74 -0.09 1.56 -0.87 0.00 0.00 176.83 178.74 2kz0 h GLN 10 N 1.21 0.58 -0.06 4.77 4.20 -1.90 0.15 115.11 124.05 2kz0 h GLN 10 Ca 0.34 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 2kz0 h GLN 10 Cb -0.10 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 2kz0 h GLN 10 CO -0.08 0.67 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.66 2kz0 h LEU 11 N 0.54 0.12 0.38 1.46 -0.00 -1.59 0.12 115.31 116.34 2kz0 h LEU 11 Ca 0.10 -0.37 -0.01 0.00 -0.00 0.00 0.00 57.88 57.60 2kz0 h LEU 11 Cb 0.48 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.11 2kz0 h LEU 11 CO 0.03 0.46 -0.22 -0.08 -0.00 0.00 0.00 178.44 178.63 2kz0 h GLU 12 N -0.22 -0.55 -0.64 1.13 4.22 -1.05 -2.75 114.58 114.73 2kz0 h GLU 12 Ca 0.02 0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.49 2kz0 h GLU 12 Cb 0.41 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 2kz0 h GLU 12 CO 0.01 -0.36 0.38 1.25 -2.18 0.00 0.00 179.01 178.10 2kz0 h LEU 13 N -0.57 0.78 0.08 1.64 6.46 -0.71 -0.65 115.31 122.34 2kz0 h LEU 13 Ca -0.04 -0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.64 2kz0 h LEU 13 Cb 0.46 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 2kz0 h LEU 13 CO 0.05 0.62 -0.04 0.25 -0.62 0.00 0.00 178.44 178.70 2kz0 h LEU 14 N 0.87 -0.09 -0.47 2.25 5.85 -0.70 -0.22 115.31 122.79 2kz0 h LEU 14 Ca 0.23 -0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.74 2kz0 h LEU 14 Cb -0.01 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2kz0 h LEU 14 CO -0.04 -0.03 -0.64 0.40 -0.34 0.00 0.00 178.44 177.80 2kz0 h ILE 15 N -0.15 1.35 -0.62 4.05 2.04 -1.41 0.80 117.51 123.56 2kz0 h ILE 15 Ca -0.01 -1.96 -0.05 0.00 1.00 0.00 0.00 64.86 63.83 2kz0 h ILE 15 Cb 0.12 1.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 2kz0 h ILE 15 CO 0.02 0.60 0.17 -0.09 0.00 0.00 0.00 178.15 178.85 2kz0 h ARG 16 N 0.34 0.96 0.06 2.37 9.65 -0.92 0.26 114.38 127.10 2kz0 h ARG 16 Ca -0.01 -0.20 -0.27 0.00 -1.10 0.00 0.00 59.98 58.40 2kz0 h ARG 16 Cb 1.19 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.61 2kz0 h ARG 16 CO 0.11 0.84 -1.36 -0.91 2.80 0.00 0.00 179.97 181.46 2kz0 h ASN 17 N 0.93 0.19 -0.13 -3.80 2.35 -0.91 -3.15 115.58 111.05 2kz0 h ASN 17 Ca 0.20 -0.25 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 2kz0 h ASN 17 Cb 0.30 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 2kz0 h ASN 17 CO -0.00 1.20 -0.08 0.00 -1.65 0.00 0.00 177.43 176.90 2kz0 h ALA 18 N 0.77 0.18 -3.51 -0.83 0.00 -0.65 -3.40 119.26 111.82 2kz0 h ALA 18 Ca -0.16 -0.28 -0.63 0.00 0.00 0.00 0.00 54.91 53.84 2kz0 h ALA 18 Cb 1.93 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 19.28 2kz0 h ALA 18 CO 0.14 -0.01 -0.74 -0.06 0.00 0.00 0.00 179.25 178.58 2kz0 s PHE 19 N -4.46 2.85 0.51 0.00 0.08 0.91 -4.99 117.98 112.88 2kz0 s PHE 19 Ca -0.14 -2.37 0.25 0.00 0.12 0.00 0.00 56.93 54.79 2kz0 s PHE 19 Cb 0.05 -2.28 1.53 0.00 -0.57 0.00 0.00 43.02 41.75 2kz0 s PHE 19 CO 0.73 -0.90 2.15 -1.00 -0.10 0.00 0.00 175.22 176.10 2kz0 h PRO 20 N 7.83 0.00 -0.64 0.24 0.13 -1.77 -1.25 132.00 136.54 2kz0 h PRO 20 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2kz0 h PRO 20 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2kz0 h PRO 20 CO 0.48 0.07 0.00 0.39 -0.23 0.00 0.00 178.00 178.71 2kz0 n GLU 21 N -3.92 3.53 -3.80 0.86 1.02 -1.26 -4.89 120.64 112.18 2kz0 n GLU 21 Ca -0.03 -2.47 -0.35 0.00 -0.02 0.00 0.00 57.16 54.29 2kz0 n GLU 21 Cb 0.16 -1.88 -0.08 0.00 -0.02 0.00 0.00 31.44 29.62 2kz0 n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kz0 s ALA 22 N -1.95 3.68 -0.35 0.62 0.00 -0.47 -4.19 121.76 119.10 2kz0 s ALA 22 Ca 0.44 -0.69 -0.15 0.00 0.00 0.00 0.00 51.96 51.56 2kz0 s ALA 22 Cb 0.29 -2.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.31 2kz0 s ALA 22 CO 0.19 0.25 0.33 -2.00 0.00 0.00 0.00 175.76 174.53 2kz0 s GLU 23 N 0.11 3.50 -0.42 0.00 2.56 0.12 -4.74 118.70 119.82 2kz0 s GLU 23 Ca 0.09 -0.51 -0.23 0.00 0.00 0.00 0.00 54.97 54.31 2kz0 s GLU 23 Cb -0.11 -3.82 0.02 0.00 2.00 0.00 0.00 34.13 32.22 2kz0 s GLU 23 CO -0.01 -0.53 0.78 0.42 -0.56 0.00 0.00 175.26 175.36 2kz0 s ILE 24 N 1.94 4.68 -0.19 -3.70 1.09 -1.26 -0.99 121.20 122.76 2kz0 s ILE 24 Ca 0.10 0.55 -0.04 0.00 -1.10 0.00 0.00 60.65 60.16 2kz0 s ILE 24 Cb -0.17 -4.28 -0.02 0.00 -1.06 0.00 0.00 42.46 36.93 2kz0 s ILE 24 CO 0.11 -0.63 -0.03 -0.89 -0.10 0.00 0.00 174.94 173.40 2kz0 s THR 25 N 3.22 3.65 -0.22 2.92 2.01 0.12 -4.99 115.64 122.34 2kz0 s THR 25 Ca 0.30 -0.42 -0.26 0.00 0.31 0.00 0.00 61.69 61.62 2kz0 s THR 25 Cb -0.12 -2.64 -0.00 0.00 0.01 0.00 0.00 72.50 69.75 2kz0 s THR 25 CO 0.21 0.44 0.90 0.68 -0.69 0.00 0.00 174.62 176.16 2kz0 s VAL 26 N 1.03 4.79 -0.52 3.82 -7.23 -1.26 0.34 120.40 121.37 2kz0 s VAL 26 Ca 0.01 1.74 -0.20 0.00 -1.81 0.00 0.00 61.98 61.73 2kz0 s VAL 26 Cb -0.15 -4.19 0.06 0.00 0.56 0.00 0.00 36.38 32.67 2kz0 s VAL 26 CO 0.01 -0.09 0.66 -0.89 -0.31 0.00 0.00 175.10 174.48 2kz0 s THR 27 N 2.82 4.82 -0.26 5.32 2.01 0.10 -4.93 115.64 125.53 2kz0 s THR 27 Ca 0.39 -0.45 -0.06 0.00 0.31 0.00 0.00 61.69 61.88 2kz0 s THR 27 Cb -0.15 -4.33 -0.01 0.00 0.01 0.00 0.00 72.50 68.01 2kz0 s THR 27 CO 0.08 -0.86 0.04 -0.94 -0.69 0.00 0.00 174.62 172.26 2kz0 s SER 28 N 2.76 4.91 0.20 3.53 1.04 -1.26 -0.43 113.70 124.45 2kz0 s SER 28 Ca 0.16 -0.46 -0.30 0.00 0.48 0.00 0.00 55.95 55.84 2kz0 s SER 28 Cb -0.19 -1.86 -0.08 0.00 0.10 0.00 0.00 66.02 63.99 2kz0 s SER 28 CO 0.12 -0.09 1.17 -0.76 0.98 0.00 0.00 173.24 174.66 2kz0 s LEU 29 N 1.53 4.47 -1.03 2.42 1.02 -1.26 -4.92 118.68 120.91 2kz0 s LEU 29 Ca 0.05 2.23 -0.23 0.00 0.02 0.00 0.00 54.13 56.20 2kz0 s LEU 29 Cb -0.16 -3.61 0.00 0.00 0.02 0.00 0.00 46.19 42.45 2kz0 s LEU 29 CO 0.01 -0.33 1.71 -0.69 0.02 0.00 0.00 176.35 177.08 2kz0 s VAL 30 N -0.26 3.74 0.00 -1.59 1.01 -1.26 -4.64 120.40 117.40 2kz0 s VAL 30 Ca 0.51 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.72 2kz0 s VAL 30 Cb -0.32 -4.65 0.00 0.00 0.00 0.00 0.00 36.38 31.41 2kz0 s VAL 30 CO 0.37 -1.50 0.00 0.61 0.00 0.00 0.00 175.10 174.59 2kz0 n GLY 31 N 6.60 2.93 3.35 4.51 0.00 -1.26 -5.03 105.19 116.28 2kz0 n GLY 31 Ca 0.39 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.97 2kz0 n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kz0 n ASP 32 N 0.00 3.52 0.00 1.61 8.00 -1.26 -3.56 116.55 124.85 2kz0 n ASP 32 Ca 0.00 -2.77 0.00 0.00 0.71 0.00 0.00 54.79 52.73 2kz0 n ASP 32 Cb 0.00 -1.58 0.00 0.00 -0.02 0.00 0.00 41.12 39.52 2kz0 n ASP 32 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2kz0 n ASN 33 N 10.09 0.00 -4.91 -2.24 3.02 -1.26 -5.12 115.26 114.84 2kz0 n ASN 33 Ca 0.48 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.75 2kz0 n ASN 33 Cb 0.44 0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.64 2kz0 n ASN 33 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2kz0 s ASN 34 N -3.09 6.37 0.58 6.41 0.02 -1.23 -5.07 114.94 118.92 2kz0 s ASN 34 Ca 0.00 0.83 -0.16 0.00 -1.02 0.00 0.00 52.86 52.51 2kz0 s ASN 34 Cb 0.00 -2.20 -0.04 0.00 0.02 0.00 0.00 41.25 39.03 2kz0 s ASN 34 CO 0.00 -0.39 1.04 -1.00 0.02 0.00 0.00 177.10 176.77 2kz0 s HIS 35 N -2.42 3.08 -0.14 2.20 3.76 -1.26 -4.91 115.29 115.60 2kz0 s HIS 35 Ca 0.46 1.50 -0.06 0.00 -0.15 0.00 0.00 55.06 56.81 2kz0 s HIS 35 Cb -0.10 -2.96 -0.04 0.00 1.11 0.00 0.00 32.58 30.59 2kz0 s HIS 35 CO 0.37 -0.98 0.06 0.71 -0.85 0.00 0.00 174.74 174.04 2kz0 s TYR 36 N -2.51 3.31 0.50 1.40 2.02 -1.26 -4.72 117.35 116.08 2kz0 s TYR 36 Ca 0.62 0.21 -0.01 0.00 -0.37 0.00 0.00 57.07 57.52 2kz0 s TYR 36 Cb -0.15 -1.97 0.01 0.00 -0.40 0.00 0.00 41.96 39.45 2kz0 s TYR 36 CO 0.37 0.37 0.74 -1.12 -1.57 0.00 0.00 175.55 174.34 2kz0 s SER 37 N -0.29 5.67 -0.14 2.29 0.01 0.43 -4.90 113.70 116.78 2kz0 s SER 37 Ca 0.08 0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.69 2kz0 s SER 37 Cb -0.12 -1.45 0.00 0.00 0.21 0.00 0.00 66.02 64.66 2kz0 s SER 37 CO 0.02 -0.86 -0.19 -0.51 0.41 0.00 0.00 173.24 172.10 2kz0 s ILE 38 N -2.69 2.35 -0.27 1.44 2.07 -0.15 0.01 121.20 123.97 2kz0 s ILE 38 Ca 0.51 -0.89 -0.06 0.00 -1.41 0.00 0.00 60.65 58.80 2kz0 s ILE 38 Cb -0.10 -1.96 -0.00 0.00 0.13 0.00 0.00 42.46 40.53 2kz0 s ILE 38 CO 0.40 0.54 0.06 -0.75 -1.91 0.00 0.00 174.94 173.27 2kz0 s LYS 39 N 0.67 3.28 -0.47 3.50 2.20 0.15 -0.36 119.74 128.70 2kz0 s LYS 39 Ca -0.09 -0.72 -0.15 0.00 -0.36 0.00 0.00 55.97 54.64 2kz0 s LYS 39 Cb -0.16 -3.30 0.08 0.00 -1.51 0.00 0.00 37.83 32.94 2kz0 s LYS 39 CO 0.02 -0.34 0.40 0.08 -0.36 0.00 0.00 175.35 175.15 2kz0 s VAL 40 N 1.52 5.22 -0.67 4.02 1.01 0.39 -0.70 120.40 131.20 2kz0 s VAL 40 Ca 0.04 -1.09 -0.16 0.00 0.00 0.00 0.00 61.98 60.77 2kz0 s VAL 40 Cb -0.16 -4.13 0.15 0.00 0.00 0.00 0.00 36.38 32.24 2kz0 s VAL 40 CO 0.02 -0.59 0.67 -0.63 0.00 0.00 0.00 175.10 174.56 2kz0 s ILE 41 N 1.64 5.23 -0.01 2.22 -1.09 -0.16 -2.05 121.20 126.98 2kz0 s ILE 41 Ca 0.04 -1.71 -0.00 0.00 -2.23 0.00 0.00 60.65 56.75 2kz0 s ILE 41 Cb -0.25 -4.44 0.02 0.00 -1.58 0.00 0.00 42.46 36.21 2kz0 s ILE 41 CO 0.06 -1.01 0.02 -0.55 -1.23 0.00 0.00 174.94 172.23 2kz0 s SER 42 N 3.15 0.03 0.55 3.58 0.15 -1.26 0.12 113.70 120.02 2kz0 s SER 42 Ca 0.11 0.03 0.37 0.00 0.70 0.00 0.00 55.95 57.16 2kz0 s SER 42 Cb -0.21 -0.03 1.88 0.00 -1.71 0.00 0.00 66.02 65.95 2kz0 s SER 42 CO -0.01 -0.07 2.12 0.77 1.20 0.00 0.00 173.24 177.25 2kz0 h SER 43 N 6.75 0.00 0.37 5.45 4.64 -1.95 -0.91 113.55 127.90 2kz0 h SER 43 Ca -0.36 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.95 2kz0 h SER 43 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2kz0 h SER 43 CO 0.49 0.00 -0.07 1.56 -0.87 0.00 0.00 176.83 177.95 2kz0 h GLN 44 N 0.00 0.00 -0.02 4.77 7.50 -1.95 -1.65 115.11 123.76 2kz0 h GLN 44 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2kz0 h GLN 44 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.67 2kz0 h GLN 44 CO 0.00 0.07 -0.39 1.19 -1.50 0.00 0.00 178.83 178.20 2kz0 n PHE 45 N -3.45 0.00 -3.00 2.96 3.72 -0.35 -4.90 117.46 112.43 2kz0 n PHE 45 Ca -0.02 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.99 2kz0 n PHE 45 Cb 0.20 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.69 2kz0 n PHE 45 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 2kz0 s GLN 46 N -2.28 4.50 0.00 -1.08 0.74 -0.62 -3.10 119.66 117.82 2kz0 s GLN 46 Ca 0.18 1.07 0.00 0.00 0.05 0.00 0.00 55.36 56.67 2kz0 s GLN 46 Cb 0.17 -3.32 0.00 0.00 1.10 0.00 0.00 33.01 30.96 2kz0 s GLN 46 CO 0.50 0.39 0.00 0.41 -0.55 0.00 0.00 175.29 176.04 2kz0 n GLY 47 N 2.10 3.04 3.76 2.59 0.00 -1.26 -5.00 105.19 110.42 2kz0 n GLY 47 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 2kz0 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kz0 s LYS 48 N -0.16 4.56 0.84 1.61 -0.14 -1.18 -5.04 119.74 120.23 2kz0 s LYS 48 Ca 0.00 1.90 -0.12 0.00 -1.36 0.00 0.00 55.97 56.39 2kz0 s LYS 48 Cb 0.00 -3.17 0.10 0.00 -1.68 0.00 0.00 37.83 33.07 2kz0 s LYS 48 CO 0.00 0.09 1.11 -1.12 -0.76 0.00 0.00 175.35 174.67 2kz0 s SER 49 N -0.66 4.11 0.39 2.83 0.01 -1.26 -4.74 113.70 114.37 2kz0 s SER 49 Ca 0.46 1.18 0.09 0.00 1.31 0.00 0.00 55.95 59.00 2kz0 s SER 49 Cb -0.34 -1.86 0.87 0.00 0.21 0.00 0.00 66.02 64.90 2kz0 s SER 49 CO 0.43 -2.20 1.95 0.07 0.41 0.00 0.00 173.24 173.91 2kz0 h LYS 50 N -1.25 0.59 -0.36 12.44 2.10 -1.96 -0.52 116.57 127.62 2kz0 h LYS 50 Ca -0.48 -0.04 -0.03 0.00 -2.00 0.00 0.00 60.65 58.10 2kz0 h LYS 50 Cb 1.29 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 32.47 2kz0 h LYS 50 CO 0.60 0.39 0.10 -0.07 -2.00 0.00 0.00 179.45 178.48 2kz0 h LEU 51 N 0.61 0.53 -0.40 7.07 -0.00 -1.99 0.28 115.31 121.41 2kz0 h LEU 51 Ca 0.32 -0.22 -0.01 0.00 -0.00 0.00 0.00 57.88 57.97 2kz0 h LEU 51 Cb 0.44 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.94 2kz0 h LEU 51 CO -0.11 0.61 0.21 -0.33 -0.00 0.00 0.00 178.44 178.82 2kz0 h GLU 52 N 0.43 0.56 -0.59 1.13 5.08 -1.63 -1.08 114.58 118.48 2kz0 h GLU 52 Ca 0.11 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2kz0 h GLU 52 Cb 0.27 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 2kz0 h GLU 52 CO -0.00 0.45 0.32 1.96 -1.00 0.00 0.00 179.01 180.74 2kz0 h GLN 53 N 0.51 0.82 -0.40 2.33 4.20 -0.82 0.25 115.11 122.00 2kz0 h GLN 53 Ca 0.14 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 58.77 2kz0 h GLN 53 Cb 0.06 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 2kz0 h GLN 53 CO -0.02 0.63 0.23 0.45 -0.67 0.00 0.00 178.83 179.45 2kz0 h HIS 54 N 0.79 0.42 -0.84 2.96 3.86 -0.18 0.10 115.15 122.28 2kz0 h HIS 54 Ca 0.21 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 2kz0 h HIS 54 Cb 0.05 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.35 2kz0 h HIS 54 CO -0.01 0.24 0.54 0.00 0.86 0.00 0.00 177.93 179.56 2kz0 h ARG 55 N 0.46 1.12 -0.27 2.45 3.08 -0.84 -0.76 114.38 119.62 2kz0 h ARG 55 Ca 0.16 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 2kz0 h ARG 55 Cb 0.02 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 2kz0 h ARG 55 CO -0.08 0.76 -0.20 0.52 -1.07 0.00 0.00 179.97 179.89 2kz0 h MET 56 N 1.14 0.48 -0.63 0.04 2.86 -0.22 0.11 114.93 118.71 2kz0 h MET 56 Ca 0.30 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 2kz0 h MET 56 Cb -0.10 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 2kz0 h MET 56 CO -0.06 0.66 0.30 0.82 1.06 0.00 0.00 176.91 179.69 2kz0 h ILE 57 N 0.43 1.22 -0.16 -1.22 2.04 -0.26 -0.99 117.51 118.57 2kz0 h ILE 57 Ca 0.07 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 2kz0 h ILE 57 Cb 0.60 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 2kz0 h ILE 57 CO 0.04 0.25 0.02 1.88 0.00 0.00 0.00 178.15 180.34 2kz0 h TYR 58 N 0.87 0.22 0.53 1.37 0.05 -0.12 0.22 116.97 120.11 2kz0 h TYR 58 Ca 0.22 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.96 2kz0 h TYR 58 Cb 0.12 -0.07 0.01 0.00 1.01 0.00 0.00 36.73 37.80 2kz0 h TYR 58 CO 0.00 0.22 -0.25 0.87 -1.05 0.00 0.00 178.16 177.95 2kz0 h LYS 59 N 0.23 -0.69 -0.33 4.88 1.79 0.01 -1.63 116.57 120.82 2kz0 h LYS 59 Ca 0.06 0.05 -0.16 0.00 -2.18 0.00 0.00 60.65 58.42 2kz0 h LYS 59 Cb 0.13 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 2kz0 h LYS 59 CO 0.00 -0.38 -0.41 -0.24 -1.08 0.00 0.00 179.45 177.34 2kz0 h VAL 60 N -0.99 1.28 -0.96 0.50 3.04 -1.02 -3.02 116.25 115.08 2kz0 h VAL 60 Ca -0.07 -1.59 -0.62 0.00 -1.01 0.00 0.00 66.70 63.41 2kz0 h VAL 60 Cb 0.62 1.46 -0.30 0.00 -2.01 0.00 0.00 31.29 31.07 2kz0 h VAL 60 CO 0.12 0.52 0.69 0.18 -1.01 0.00 0.00 177.57 178.08 2kz0 n LEU 61 N -4.04 7.22 0.14 3.16 7.99 0.75 -4.67 117.00 127.54 2kz0 n LEU 61 Ca -0.02 -4.15 0.10 0.00 -0.01 0.00 0.00 56.01 51.93 2kz0 n LEU 61 Cb 0.55 -0.90 0.50 0.00 -0.11 0.00 0.00 43.42 43.46 2kz0 n LEU 61 CO 0.48 1.41 0.80 -0.67 -1.51 0.00 0.00 177.39 177.90 2kz0 n ASP 62 N -0.97 0.52 0.17 -1.43 2.03 -0.61 -1.57 116.55 114.69 2kz0 n ASP 62 Ca 0.60 0.71 0.13 0.00 0.52 0.00 0.00 54.79 56.76 2kz0 n ASP 62 Cb 0.92 -0.79 0.51 0.00 -0.72 0.00 0.00 41.12 41.04 2kz0 n ASP 62 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2kz0 h GLY 63 N 0.56 0.00 -4.98 0.27 0.00 -1.85 -3.44 103.07 93.64 2kz0 h GLY 63 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 2kz0 h GLY 63 CO 0.00 0.00 -0.73 1.08 0.00 0.00 0.00 176.54 176.89 2kz0 s LEU 64 N -5.00 2.19 -0.88 3.11 1.43 -0.61 -5.09 118.68 113.83 2kz0 s LEU 64 Ca 0.04 -0.42 -0.25 0.00 -1.03 0.00 0.00 54.13 52.48 2kz0 s LEU 64 Cb 0.09 -0.11 0.03 0.00 0.03 0.00 0.00 46.19 46.24 2kz0 s LEU 64 CO 0.47 -0.16 1.42 0.20 0.23 0.00 0.00 176.35 178.51 2kz0 s ASN 65 N -1.17 6.25 -0.71 2.29 0.02 -1.26 -4.93 114.94 115.42 2kz0 s ASN 65 Ca -0.08 -0.93 -0.26 0.00 -1.02 0.00 0.00 52.86 50.56 2kz0 s ASN 65 Cb -0.08 -2.56 -0.01 0.00 0.02 0.00 0.00 41.25 38.62 2kz0 s ASN 65 CO -0.00 -1.74 1.73 -0.63 0.02 0.00 0.00 177.10 176.48 2kz0 s ILE 66 N 5.69 3.48 -0.11 0.60 -1.09 -1.26 -4.68 121.20 123.84 2kz0 s ILE 66 Ca 0.43 0.10 0.15 0.00 -2.23 0.00 0.00 60.65 59.11 2kz0 s ILE 66 Cb -0.04 -4.23 0.24 0.00 -1.58 0.00 0.00 42.46 36.85 2kz0 s ILE 66 CO 0.02 -1.18 1.12 1.41 -1.23 0.00 0.00 174.94 175.08 2kz0 n HIS 67 N 12.00 0.00 -4.10 3.97 8.25 -1.26 -5.04 115.22 129.04 2kz0 n HIS 67 Ca 0.21 -0.82 -0.15 0.00 -0.26 0.00 0.00 57.72 56.70 2kz0 n HIS 67 Cb 0.51 -0.13 -0.12 0.00 1.12 0.00 0.00 29.99 31.37 2kz0 n HIS 67 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kz0 s ALA 68 N -2.34 0.73 -0.66 -1.41 0.00 -1.26 -5.09 121.76 111.72 2kz0 s ALA 68 Ca 0.26 -0.80 -0.27 0.00 0.00 0.00 0.00 51.96 51.15 2kz0 s ALA 68 Cb 0.23 -0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.35 2kz0 s ALA 68 CO 0.02 0.04 1.51 0.42 0.00 0.00 0.00 175.76 177.75 2kz0 s ILE 69 N -1.28 3.60 0.00 0.00 -1.09 -1.26 -4.58 121.20 116.59 2kz0 s ILE 69 Ca -0.07 0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.73 2kz0 s ILE 69 Cb -0.10 -4.49 0.00 0.00 -1.58 0.00 0.00 42.46 36.30 2kz0 s ILE 69 CO 0.01 -1.40 0.00 1.67 -1.23 0.00 0.00 174.94 173.99 2kz0 n GLN 70 N 9.18 0.00 -4.06 2.79 -0.06 -1.26 -4.92 117.38 119.05 2kz0 n GLN 70 Ca 0.11 0.00 -0.34 0.00 -2.00 0.00 0.00 57.00 54.76 2kz0 n GLN 70 Cb 0.50 -0.68 -0.14 0.00 -4.06 0.00 0.00 30.24 25.86 2kz0 n GLN 70 CO 0.00 0.00 0.00 -1.50 -0.20 0.00 0.00 177.06 175.36 2kz0 s ILE 71 N -1.59 3.13 -0.18 1.69 2.07 -1.26 -0.97 121.20 124.09 2kz0 s ILE 71 Ca 0.00 -0.58 -0.03 0.00 -1.41 0.00 0.00 60.65 58.63 2kz0 s ILE 71 Cb 0.00 -2.40 -0.02 0.00 0.13 0.00 0.00 42.46 40.18 2kz0 s ILE 71 CO 0.00 0.46 -0.06 -1.10 -1.91 0.00 0.00 174.94 172.32 2kz0 s GLN 72 N 1.28 3.47 0.29 3.50 -0.21 0.51 -4.96 119.66 123.54 2kz0 s GLN 72 Ca 0.03 -0.61 0.06 0.00 0.02 0.00 0.00 55.36 54.86 2kz0 s GLN 72 Cb -0.14 -2.88 -0.02 0.00 1.00 0.00 0.00 33.01 30.96 2kz0 s GLN 72 CO -0.04 0.05 0.41 0.99 -2.12 0.00 0.00 175.29 174.59 2kz0 s THR 73 N 0.84 4.67 -1.01 -0.19 2.01 -1.26 -0.46 115.64 120.23 2kz0 s THR 73 Ca -0.02 -1.00 -0.24 0.00 0.31 0.00 0.00 61.69 60.75 2kz0 s THR 73 Cb -0.15 -3.63 -0.07 0.00 0.01 0.00 0.00 72.50 68.65 2kz0 s THR 73 CO 0.01 -0.25 1.97 -0.83 -0.69 0.00 0.00 174.62 174.84 2kz0 s GLY 74 N -4.07 0.08 -0.27 4.40 0.00 -0.87 -4.86 107.32 101.73 2kz0 s GLY 74 Ca 0.39 -1.72 -0.28 0.00 0.00 0.00 0.00 44.72 43.11 2kz0 s GLY 74 CO 0.30 3.58 1.02 0.00 0.00 0.00 0.00 173.10 177.99