#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kyi s ASP 21 N 0.00 6.14 0.00 7.83 2.15 -1.26 -4.71 116.67 126.82 2kyi s ASP 21 Ca 0.00 -1.84 0.00 0.00 0.43 0.00 0.00 52.55 51.14 2kyi s ASP 21 Cb 0.00 -2.18 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 2kyi s ASP 21 CO 0.00 -0.83 0.00 -0.46 -0.17 0.00 0.00 175.17 173.71 2kyi n ASN 22 N 5.16 1.03 -4.74 -0.34 0.23 -1.26 -5.06 115.26 110.28 2kyi n ASN 22 Ca -0.12 -0.12 -0.40 0.00 -0.53 0.00 0.00 54.58 53.41 2kyi n ASN 22 Cb 0.40 0.45 -0.05 0.00 -2.08 0.00 0.00 39.78 38.50 2kyi n ASN 22 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kyi s ARG 23 N -0.65 4.45 -0.03 -3.83 1.70 -1.26 -4.75 118.95 114.57 2kyi s ARG 23 Ca 0.00 0.96 0.02 0.00 -0.47 0.00 0.00 55.73 56.24 2kyi s ARG 23 Cb 0.00 -3.39 -0.03 0.00 -0.57 0.00 0.00 34.95 30.96 2kyi s ARG 23 CO 0.00 0.23 -0.04 -0.65 -1.08 0.00 0.00 175.30 173.75 2kyi s GLN 24 N 0.20 2.71 -0.20 3.89 -0.21 0.15 -4.79 119.66 121.41 2kyi s GLN 24 Ca 0.37 -0.61 -0.13 0.00 0.02 0.00 0.00 55.36 55.01 2kyi s GLN 24 Cb -0.19 -2.60 -0.05 0.00 1.00 0.00 0.00 33.01 31.18 2kyi s GLN 24 CO 0.21 0.64 0.26 -0.06 -2.12 0.00 0.00 175.29 174.21 2kyi s PHE 25 N -0.95 3.39 -0.21 0.91 0.40 -1.26 -1.52 117.98 118.74 2kyi s PHE 25 Ca 0.16 0.46 0.01 0.00 -0.60 0.00 0.00 56.93 56.96 2kyi s PHE 25 Cb -0.11 -2.35 0.03 0.00 0.51 0.00 0.00 43.02 41.10 2kyi s PHE 25 CO 0.06 0.13 -0.15 -1.17 0.70 0.00 0.00 175.22 174.80 2kyi s LEU 26 N 0.83 2.65 -0.29 -0.37 2.96 0.76 -4.97 118.68 120.26 2kyi s LEU 26 Ca 0.14 -0.84 -0.02 0.00 -0.22 0.00 0.00 54.13 53.19 2kyi s LEU 26 Cb -0.13 -1.54 0.05 0.00 0.50 0.00 0.00 46.19 45.06 2kyi s LEU 26 CO 0.04 -0.06 -0.01 -0.44 -1.32 0.00 0.00 176.35 174.55 2kyi s SER 27 N 1.27 4.79 -0.17 3.68 0.01 -1.26 -1.02 113.70 121.01 2kyi s SER 27 Ca 0.01 -1.22 -0.02 0.00 1.31 0.00 0.00 55.95 56.03 2kyi s SER 27 Cb -0.15 -1.70 -0.01 0.00 0.21 0.00 0.00 66.02 64.37 2kyi s SER 27 CO -0.09 -0.24 -0.09 -0.22 0.41 0.00 0.00 173.24 173.01 2kyi s LEU 28 N 1.26 2.83 -0.16 2.44 2.96 0.34 -4.98 118.68 123.37 2kyi s LEU 28 Ca -0.05 -0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 53.48 2kyi s LEU 28 Cb -0.19 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 2kyi s LEU 28 CO -0.02 0.10 0.00 -0.89 -1.32 0.00 0.00 176.35 174.22 2kyi s THR 29 N 0.77 4.28 0.00 3.68 2.01 -1.26 -0.87 115.64 124.26 2kyi s THR 29 Ca -0.04 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 61.74 2kyi s THR 29 Cb -0.15 -2.89 0.00 0.00 0.01 0.00 0.00 72.50 69.47 2kyi s THR 29 CO 0.01 0.49 0.00 0.61 -0.69 0.00 0.00 174.62 175.05 2kyi n GLY 30 N 3.40 1.95 3.55 4.40 0.00 0.14 -5.00 105.19 113.63 2kyi n GLY 30 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 2kyi n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kyi s VAL 31 N -2.00 4.71 0.10 1.61 1.01 -0.21 -2.45 120.40 123.16 2kyi s VAL 31 Ca 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 2kyi s VAL 31 Cb 0.00 -4.26 -0.25 0.00 0.00 0.00 0.00 36.38 31.87 2kyi s VAL 31 CO 0.00 -0.61 1.20 0.28 0.00 0.00 0.00 175.10 175.97 2kyi h SER 32 N 8.82 0.32 -4.24 3.32 0.02 -1.14 -3.34 113.55 117.32 2kyi h SER 32 Ca -0.25 -0.33 -0.09 0.00 -0.84 0.00 0.00 61.79 60.28 2kyi h SER 32 Cb 1.09 -0.10 -0.22 0.00 0.14 0.00 0.00 62.40 63.31 2kyi h SER 32 CO 0.93 1.24 -0.07 -0.75 -1.14 0.00 0.00 176.83 177.05 2kyi s LYS 33 N -2.74 0.70 -0.33 3.45 2.47 -0.33 -4.98 119.74 117.99 2kyi s LYS 33 Ca -0.03 0.55 -0.16 0.00 -1.56 0.00 0.00 55.97 54.77 2kyi s LYS 33 Cb 0.08 0.34 -0.02 0.00 -1.46 0.00 0.00 37.83 36.77 2kyi s LYS 33 CO 0.86 -0.13 0.42 0.08 0.16 0.00 0.00 175.35 176.75 2kyi s VAL 34 N -0.16 5.11 -0.05 4.02 1.01 -1.26 0.42 120.40 129.50 2kyi s VAL 34 Ca -0.04 0.29 -0.26 0.00 0.00 0.00 0.00 61.98 61.98 2kyi s VAL 34 Cb -0.03 -3.84 -0.22 0.00 0.00 0.00 0.00 36.38 32.29 2kyi s VAL 34 CO 0.03 -0.07 1.12 1.56 0.00 0.00 0.00 175.10 177.74 2kyi h GLN 35 N 8.38 0.04 -2.72 2.72 4.20 -0.95 -3.47 115.11 123.31 2kyi h GLN 35 Ca -0.29 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.27 2kyi h GLN 35 Cb 1.14 0.01 -0.23 0.00 0.30 0.00 0.00 27.48 28.70 2kyi h GLN 35 CO 0.71 0.67 -0.20 -1.12 -0.67 0.00 0.00 178.83 178.23 2kyi s SER 36 N -5.91 -0.41 -0.28 1.46 0.01 -1.21 -4.99 113.70 102.37 2kyi s SER 36 Ca -0.17 0.71 0.02 0.00 1.31 0.00 0.00 55.95 57.82 2kyi s SER 36 Cb 0.01 0.75 0.08 0.00 0.21 0.00 0.00 66.02 67.07 2kyi s SER 36 CO 0.69 -0.24 -0.01 0.12 0.41 0.00 0.00 173.24 174.21 2kyi s PHE 37 N -0.16 2.93 0.12 2.43 5.36 -1.26 -1.39 117.98 126.00 2kyi s PHE 37 Ca -0.03 -2.28 0.09 0.00 -0.96 0.00 0.00 56.93 53.74 2kyi s PHE 37 Cb -0.03 -2.11 -0.04 0.00 -0.34 0.00 0.00 43.02 40.50 2kyi s PHE 37 CO 0.02 -0.87 -0.22 -0.51 -1.46 0.00 0.00 175.22 172.18 2kyi s ASP 38 N 1.20 2.76 0.35 6.13 1.01 -0.17 -5.02 116.67 122.94 2kyi s ASP 38 Ca 0.01 -0.73 0.24 0.00 0.71 0.00 0.00 52.55 52.78 2kyi s ASP 38 Cb -0.19 -0.16 1.28 0.00 1.01 0.00 0.00 42.92 44.86 2kyi s ASP 38 CO -0.09 0.08 1.73 -0.65 0.21 0.00 0.00 175.17 176.45 2kyi h PRO 39 N 3.91 0.00 0.00 8.23 0.11 -1.98 -2.26 132.00 140.01 2kyi h PRO 39 Ca -0.47 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.33 2kyi h PRO 39 Cb 1.18 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 2kyi h PRO 39 CO 0.41 0.00 -2.17 1.63 -0.21 0.00 0.00 178.00 177.66 2kyi n LYS 40 N -2.34 1.21 -3.71 1.05 5.02 -1.26 -1.19 118.16 116.93 2kyi n LYS 40 Ca -0.01 -0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.16 2kyi n LYS 40 Cb 0.05 -1.44 -0.12 0.00 -0.02 0.00 0.00 35.03 33.51 2kyi n LYS 40 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2kyi s GLU 41 N -2.41 0.31 -0.12 1.97 2.12 -0.85 -0.97 118.70 118.75 2kyi s GLU 41 Ca -0.09 0.65 0.03 0.00 0.36 0.00 0.00 54.97 55.92 2kyi s GLU 41 Cb 0.05 -0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.39 2kyi s GLU 41 CO 0.69 -0.15 -0.23 0.42 -0.54 0.00 0.00 175.26 175.45 2kyi s ILE 42 N 1.26 2.11 -0.29 -3.70 1.01 -0.25 -1.00 121.20 120.34 2kyi s ILE 42 Ca -0.09 -0.99 -0.07 0.00 0.00 0.00 0.00 60.65 59.51 2kyi s ILE 42 Cb -0.09 -1.82 0.01 0.00 0.01 0.00 0.00 42.46 40.57 2kyi s ILE 42 CO -0.10 0.55 0.08 -0.76 0.00 0.00 0.00 174.94 174.72 2kyi s LEU 43 N 0.52 3.85 -0.25 2.97 1.43 -0.49 -0.66 118.68 126.04 2kyi s LEU 43 Ca -0.14 -0.69 -0.05 0.00 -1.03 0.00 0.00 54.13 52.21 2kyi s LEU 43 Cb -0.17 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 2kyi s LEU 43 CO 0.05 -0.19 0.02 -0.76 0.23 0.00 0.00 176.35 175.70 2kyi s LEU 44 N 1.51 3.34 -0.52 1.79 1.43 0.59 -0.21 118.68 126.60 2kyi s LEU 44 Ca 0.03 -0.46 -0.24 0.00 -1.03 0.00 0.00 54.13 52.42 2kyi s LEU 44 Cb -0.17 -1.83 0.04 0.00 0.03 0.00 0.00 46.19 44.26 2kyi s LEU 44 CO 0.03 -0.08 0.90 -0.70 0.23 0.00 0.00 176.35 176.72 2kyi s GLU 45 N 1.51 3.36 0.50 1.70 -6.30 0.17 0.12 118.70 119.76 2kyi s GLU 45 Ca 0.05 -0.22 0.06 0.00 -2.50 0.00 0.00 54.97 52.36 2kyi s GLU 45 Cb -0.15 -4.02 0.02 0.00 0.00 0.00 0.00 34.13 29.97 2kyi s GLU 45 CO 0.00 -1.38 0.39 0.95 0.02 0.00 0.00 175.26 175.25 2kyi s THR 46 N 3.74 1.97 0.08 -1.70 -4.23 0.12 -0.57 115.64 115.06 2kyi s THR 46 Ca 0.30 -1.46 -0.16 0.00 -1.18 0.00 0.00 61.69 59.20 2kyi s THR 46 Cb -0.13 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 2kyi s THR 46 CO 0.20 0.00 0.90 -0.38 -0.54 0.00 0.00 174.62 174.80 2kyi n ILE 47 N -1.68 -0.36 -3.18 2.99 5.41 -1.03 -2.58 119.36 118.93 2kyi n ILE 47 Ca 0.00 1.41 -0.18 0.00 1.00 0.00 0.00 62.75 64.98 2kyi n ILE 47 Cb 0.64 -1.76 -0.03 0.00 -0.71 0.00 0.00 39.64 37.78 2kyi n ILE 47 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 2kyi n GLN 48 N -4.44 0.95 0.00 0.38 7.27 -1.26 -5.08 117.38 115.21 2kyi n GLN 48 Ca 0.01 -3.34 0.00 0.00 0.07 0.00 0.00 57.00 53.74 2kyi n GLN 48 Cb 0.14 -1.66 0.00 0.00 2.41 0.00 0.00 30.24 31.12 2kyi n GLN 48 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kyi n GLY 49 N 0.36 0.13 3.21 1.69 0.00 -1.07 -4.95 105.19 104.56 2kyi n GLY 49 Ca 0.24 -1.14 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 2kyi n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kyi s VAL 50 N -2.00 1.53 -0.20 1.61 1.01 -1.25 0.13 120.40 121.23 2kyi s VAL 50 Ca 0.00 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 2kyi s VAL 50 Cb 0.00 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 2kyi s VAL 50 CO 0.00 0.33 -0.00 -0.22 0.00 0.00 0.00 175.10 175.20 2kyi s LEU 51 N -0.73 3.23 -0.44 3.92 2.96 0.12 -3.38 118.68 124.37 2kyi s LEU 51 Ca 0.07 -0.21 -0.09 0.00 -0.22 0.00 0.00 54.13 53.68 2kyi s LEU 51 Cb -0.08 -1.82 0.10 0.00 0.50 0.00 0.00 46.19 44.89 2kyi s LEU 51 CO 0.00 0.06 0.28 -0.55 -1.32 0.00 0.00 176.35 174.83 2kyi s SER 52 N 1.01 5.62 -0.39 3.68 0.15 0.33 -0.30 113.70 123.79 2kyi s SER 52 Ca 0.02 -1.69 -0.22 0.00 0.70 0.00 0.00 55.95 54.76 2kyi s SER 52 Cb -0.14 -1.98 0.01 0.00 -1.71 0.00 0.00 66.02 62.20 2kyi s SER 52 CO 0.02 -0.59 0.70 -0.63 1.20 0.00 0.00 173.24 173.93 2kyi s ILE 53 N 1.38 4.79 -0.02 6.45 1.01 0.16 -1.87 121.20 133.10 2kyi s ILE 53 Ca 0.04 0.52 0.04 0.00 0.00 0.00 0.00 60.65 61.26 2kyi s ILE 53 Cb -0.24 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.02 2kyi s ILE 53 CO 0.01 -0.48 -0.14 -0.54 0.00 0.00 0.00 174.94 173.78 2kyi s LYS 54 N 2.94 2.41 0.00 2.79 1.02 -0.10 -1.09 119.74 127.70 2kyi s LYS 54 Ca 0.27 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.49 2kyi s LYS 54 Cb -0.14 -2.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.82 2kyi s LYS 54 CO 0.18 0.60 0.00 0.41 -0.92 0.00 0.00 175.35 175.62 2kyi n GLY 55 N 2.01 -0.49 3.19 -3.33 0.00 -0.14 0.47 105.19 106.90 2kyi n GLY 55 Ca -0.17 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 44.82 2kyi n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kyi s GLU 56 N -1.98 1.71 -0.28 1.61 2.02 0.27 -4.48 118.70 117.57 2kyi s GLU 56 Ca 0.00 -0.70 -0.02 0.00 0.02 0.00 0.00 54.97 54.27 2kyi s GLU 56 Cb 0.00 -1.59 0.00 0.00 0.10 0.00 0.00 34.13 32.64 2kyi s GLU 56 CO 0.00 0.38 0.09 1.17 0.02 0.00 0.00 175.26 176.92 2kyi n LYS 57 N 2.75 -2.86 -3.48 1.61 3.00 -1.00 -0.41 118.16 117.76 2kyi n LYS 57 Ca -0.16 2.39 -0.27 0.00 -0.00 0.00 0.00 58.31 60.26 2kyi n LYS 57 Cb 0.53 -4.83 -0.08 0.00 0.00 0.00 0.00 35.03 30.64 2kyi n LYS 57 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2kyi n LEU 58 N 0.45 3.70 -4.61 3.14 4.32 -0.33 -2.65 117.00 121.02 2kyi n LEU 58 Ca 0.02 -5.42 -0.34 0.00 -0.02 0.00 0.00 56.01 50.24 2kyi n LEU 58 Cb 0.07 -0.69 -0.10 0.00 -1.62 0.00 0.00 43.42 41.08 2kyi n LEU 58 CO 0.39 2.02 -0.28 -0.83 -1.22 0.00 0.00 177.39 177.47 2kyi s GLY 59 N -2.36 1.86 0.03 -0.72 0.00 -1.00 -4.67 107.32 100.45 2kyi s GLY 59 Ca 0.38 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.33 2kyi s GLY 59 CO -0.03 -0.08 0.00 4.51 0.00 0.00 0.00 173.10 177.50 2kyi n ILE 60 N 3.28 0.14 0.00 0.90 0.13 -1.26 -2.56 119.36 119.98 2kyi n ILE 60 Ca -0.17 0.05 0.00 0.00 -1.10 0.00 0.00 62.75 61.52 2kyi n ILE 60 Cb 0.53 -0.79 0.00 0.00 -0.84 0.00 0.00 39.64 38.54 2kyi n ILE 60 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 2kyi n LYS 61 N -2.66 0.00 0.00 9.51 3.00 -1.26 -5.05 118.16 121.70 2kyi n LYS 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2kyi n LYS 61 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2kyi n LYS 61 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2kyi n HIS 62 N 0.00 0.00 -3.88 5.64 -0.00 -1.26 -5.04 115.22 110.68 2kyi n HIS 62 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.39 2kyi n HIS 62 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 29.86 2kyi n HIS 62 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 2kyi s LEU 63 N 0.00 4.76 0.00 0.27 2.96 -1.26 -4.96 118.68 120.45 2kyi s LEU 63 Ca 0.00 -2.72 0.00 0.00 -0.22 0.00 0.00 54.13 51.19 2kyi s LEU 63 Cb 0.00 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 44.97 2kyi s LEU 63 CO 0.00 -0.33 0.00 -0.90 -1.32 0.00 0.00 176.35 173.80 2kyi n ASP 64 N 3.57 0.00 0.00 3.68 5.75 -1.26 -4.97 116.55 123.32 2kyi n ASP 64 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 2kyi n ASP 64 Cb 0.36 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 2kyi n ASP 64 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2kyi n LEU 65 N 0.00 0.00 0.00 -2.12 0.00 -1.26 -4.79 117.00 108.82 2kyi n LEU 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2kyi n LEU 65 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2kyi n LEU 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.39 178.56 2kyi n LYS 66 N 0.00 0.00 -2.69 1.96 0.00 -1.26 -2.56 118.16 113.61 2kyi n LYS 66 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.25 2kyi n LYS 66 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.12 2kyi n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kyi n ALA 67 N 0.74 -1.80 -0.84 3.14 0.00 -1.26 -4.93 120.51 115.55 2kyi n ALA 67 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.56 2kyi n ALA 67 Cb 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.46 2kyi n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kyi n GLY 68 N 0.24 0.54 3.12 0.00 0.00 -1.13 -4.85 105.19 103.11 2kyi n GLY 68 Ca -0.03 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 2kyi n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kyi s GLN 69 N -0.76 2.37 -0.32 1.61 -0.21 -1.06 0.27 119.66 121.56 2kyi s GLN 69 Ca 0.00 -1.28 -0.07 0.00 0.02 0.00 0.00 55.36 54.03 2kyi s GLN 69 Cb 0.00 -2.98 0.02 0.00 1.00 0.00 0.00 33.01 31.05 2kyi s GLN 69 CO 0.00 -0.56 0.11 0.08 -2.12 0.00 0.00 175.29 172.80 2kyi s VAL 70 N 1.17 4.00 -0.27 1.09 1.01 -0.05 -4.49 120.40 122.87 2kyi s VAL 70 Ca -0.07 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.05 2kyi s VAL 70 Cb -0.19 -3.16 0.08 0.00 0.00 0.00 0.00 36.38 33.10 2kyi s VAL 70 CO -0.04 -0.06 -0.00 -0.70 0.00 0.00 0.00 175.10 174.29 2kyi s GLU 71 N 1.47 1.43 0.31 2.72 2.12 -1.26 -0.51 118.70 124.99 2kyi s GLU 71 Ca 0.01 -1.20 0.10 0.00 0.36 0.00 0.00 54.97 54.23 2kyi s GLU 71 Cb -0.18 -2.61 -0.06 0.00 0.26 0.00 0.00 34.13 31.53 2kyi s GLU 71 CO 0.03 -0.74 -0.12 0.14 -0.54 0.00 0.00 175.26 174.02 2kyi s VAL 72 N 1.33 2.21 0.02 3.70 -7.23 -0.19 -4.81 120.40 115.42 2kyi s VAL 72 Ca 0.01 -2.26 0.06 0.00 -1.81 0.00 0.00 61.98 57.98 2kyi s VAL 72 Cb -0.19 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 2kyi s VAL 72 CO -0.10 -0.29 -0.19 -1.83 -0.31 0.00 0.00 175.10 172.38 2kyi s GLU 73 N -3.60 1.38 0.00 4.82 -1.05 -1.06 -0.17 118.70 119.02 2kyi s GLU 73 Ca 0.31 -0.78 0.00 0.00 -0.15 0.00 0.00 54.97 54.35 2kyi s GLU 73 Cb 0.00 -1.40 0.00 0.00 -0.44 0.00 0.00 34.13 32.29 2kyi s GLU 73 CO 0.15 0.37 0.00 0.41 0.95 0.00 0.00 175.26 177.14 2kyi n GLY 74 N 2.23 -0.70 3.26 -3.83 0.00 -0.57 -2.37 105.19 103.20 2kyi n GLY 74 Ca -0.16 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 2kyi n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kyi s LEU 75 N 0.00 6.26 0.15 0.99 1.43 0.45 0.35 118.68 128.31 2kyi s LEU 75 Ca 0.00 -2.95 -0.30 0.00 -1.03 0.00 0.00 54.13 49.85 2kyi s LEU 75 Cb 0.00 -2.10 -0.08 0.00 0.03 0.00 0.00 46.19 44.04 2kyi s LEU 75 CO 0.00 -0.45 1.29 0.27 0.23 0.00 0.00 176.35 177.69 2kyi s ILE 76 N -0.22 3.44 -0.25 -0.59 -4.36 -1.26 -0.57 121.20 117.40 2kyi s ILE 76 Ca 0.20 1.12 -0.15 0.00 -0.26 0.00 0.00 60.65 61.56 2kyi s ILE 76 Cb -0.12 -3.72 -0.11 0.00 1.25 0.00 0.00 42.46 39.76 2kyi s ILE 76 CO -0.08 0.13 -0.31 -0.67 0.24 0.00 0.00 174.94 174.26 2kyi n ASP 77 N 3.19 1.94 -3.81 4.36 -0.08 0.18 -4.91 116.55 117.42 2kyi n ASP 77 Ca 0.08 0.35 -0.12 0.00 -1.51 0.00 0.00 54.79 53.59 2kyi n ASP 77 Cb 0.44 -0.81 -0.11 0.00 2.34 0.00 0.00 41.12 42.97 2kyi n ASP 77 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kyi s ALA 78 N -2.61 -0.52 -0.20 -1.67 0.00 -0.71 -4.99 121.76 111.07 2kyi s ALA 78 Ca -0.35 0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.04 2kyi s ALA 78 Cb 0.11 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.05 2kyi s ALA 78 CO 0.47 -0.14 -0.18 -0.51 0.00 0.00 0.00 175.76 175.40 2kyi s LEU 79 N -0.37 2.41 -0.08 0.00 1.43 -1.26 -0.92 118.68 119.89 2kyi s LEU 79 Ca -0.05 -0.80 0.05 0.00 -1.03 0.00 0.00 54.13 52.30 2kyi s LEU 79 Cb -0.03 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 2kyi s LEU 79 CO 0.01 -0.04 -0.23 -0.69 0.23 0.00 0.00 176.35 175.63 2kyi s VAL 80 N 1.25 2.23 -0.38 -1.59 1.01 -0.78 -4.99 120.40 117.15 2kyi s VAL 80 Ca 0.02 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.04 2kyi s VAL 80 Cb -0.14 -1.84 0.11 0.00 0.00 0.00 0.00 36.38 34.50 2kyi s VAL 80 CO -0.11 0.56 0.12 -0.47 0.00 0.00 0.00 175.10 175.20 2kyi s TYR 81 N 0.04 2.96 0.12 5.22 6.14 -1.26 -0.52 117.35 130.05 2kyi s TYR 81 Ca -0.09 -2.67 -0.31 0.00 0.64 0.00 0.00 57.07 54.64 2kyi s TYR 81 Cb -0.15 -2.50 -0.07 0.00 0.42 0.00 0.00 41.96 39.66 2kyi s TYR 81 CO 0.06 -0.87 1.29 -1.25 0.64 0.00 0.00 175.55 175.42 2kyi s PRO 82 N 0.77 4.39 0.36 4.97 0.04 -1.22 -4.95 135.00 139.36 2kyi s PRO 82 Ca 0.13 1.96 0.09 0.00 0.04 0.00 0.00 61.00 63.21 2kyi s PRO 82 Cb -0.21 -3.27 -0.07 0.00 0.04 0.00 0.00 34.50 31.00 2kyi s PRO 82 CO -0.09 -0.30 -0.07 -0.51 0.04 0.00 0.00 177.00 176.06 2kyi s LEU 83 N 0.69 2.76 0.12 -3.56 1.43 -1.26 -3.85 118.68 115.01 2kyi s LEU 83 Ca 0.60 -1.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 2kyi s LEU 83 Cb -0.34 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 44.89 2kyi s LEU 83 CO 0.32 -0.25 0.00 -0.62 0.23 0.00 0.00 176.35 176.03 2kyi n GLU 84 N -0.83 -3.86 -2.91 1.70 1.02 -1.26 -4.85 120.64 109.64 2kyi n GLU 84 Ca -0.05 2.90 -0.44 0.00 -0.02 0.00 0.00 57.16 59.55 2kyi n GLU 84 Cb 0.64 -3.07 -0.02 0.00 -0.02 0.00 0.00 31.44 28.97 2kyi n GLU 84 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2kyi s HIS 85 N -0.37 3.13 -0.07 -0.32 3.76 -1.26 -5.00 115.29 115.16 2kyi s HIS 85 Ca 0.00 -1.45 -0.30 0.00 -0.15 0.00 0.00 55.06 53.17 2kyi s HIS 85 Cb 0.00 -4.31 -0.03 0.00 1.11 0.00 0.00 32.58 29.35 2kyi s HIS 85 CO 0.00 -1.50 1.24 -1.58 -0.85 0.00 0.00 174.74 172.05 2kyi s HIS 86 N 2.68 3.07 -0.01 1.40 2.46 -1.26 -5.01 115.29 118.62 2kyi s HIS 86 Ca 0.34 1.12 -0.09 0.00 0.47 0.00 0.00 55.06 56.90 2kyi s HIS 86 Cb -0.04 -3.47 -0.05 0.00 -0.13 0.00 0.00 32.58 28.89 2kyi s HIS 86 CO -0.08 -1.54 0.30 -1.01 -2.47 0.00 0.00 174.74 169.93 2kyi s HIS 87 N 2.52 3.62 0.17 3.88 3.76 -1.26 -5.09 115.29 122.88 2kyi s HIS 87 Ca 0.57 0.69 -0.11 0.00 -0.15 0.00 0.00 55.06 56.06 2kyi s HIS 87 Cb -0.25 -2.07 -0.07 0.00 1.11 0.00 0.00 32.58 31.30 2kyi s HIS 87 CO 0.21 0.63 0.52 -1.01 -0.85 0.00 0.00 174.74 174.24 2kyi s HIS 88 N -1.22 3.52 -2.68 1.40 3.76 -1.26 -4.98 115.29 113.83 2kyi s HIS 88 Ca 0.25 0.92 0.24 0.00 -0.15 0.00 0.00 55.06 56.32 2kyi s HIS 88 Cb -0.14 -2.28 0.38 0.00 1.11 0.00 0.00 32.58 31.66 2kyi s HIS 88 CO 0.14 0.38 1.37 0.72 -0.85 0.00 0.00 174.74 176.50 2kyi n HIS 89 N 0.41 0.26 -1.38 1.40 8.25 -1.26 -5.34 115.22 117.57 2kyi n HIS 89 Ca -0.03 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2kyi n HIS 89 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 2kyi n HIS 89 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70