#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kyi n ASP 21 N 0.00 0.00 -0.69 6.12 8.00 -1.26 -4.97 116.55 123.75 2kyi n ASP 21 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.54 2kyi n ASP 21 Cb 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.23 2kyi n ASP 21 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2kyi n ASN 22 N 0.00 1.94 -4.44 -2.24 6.94 -1.26 -4.71 115.26 111.49 2kyi n ASN 22 Ca 0.00 -2.13 -0.44 0.00 -0.02 0.00 0.00 54.58 52.00 2kyi n ASN 22 Cb 0.00 -0.33 -0.06 0.00 -2.36 0.00 0.00 39.78 37.04 2kyi n ASN 22 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2kyi s ARG 23 N -1.64 3.13 0.67 -3.83 0.52 -1.26 -4.56 118.95 111.97 2kyi s ARG 23 Ca 0.19 -0.92 -0.02 0.00 -0.52 0.00 0.00 55.73 54.47 2kyi s ARG 23 Cb 0.12 -4.14 0.08 0.00 0.52 0.00 0.00 34.95 31.53 2kyi s ARG 23 CO 0.10 -1.34 0.93 -0.65 0.02 0.00 0.00 175.30 174.36 2kyi s GLN 24 N 2.84 2.05 -0.11 3.54 -0.21 -0.00 -4.58 119.66 123.19 2kyi s GLN 24 Ca 0.16 -0.78 0.04 0.00 0.02 0.00 0.00 55.36 54.79 2kyi s GLN 24 Cb -0.19 -2.33 0.00 0.00 1.00 0.00 0.00 33.01 31.49 2kyi s GLN 24 CO 0.11 -1.18 -0.23 0.12 -2.12 0.00 0.00 175.29 171.99 2kyi s PHE 25 N -3.06 2.55 -0.05 0.91 5.36 -1.26 -1.09 117.98 121.35 2kyi s PHE 25 Ca 0.62 -1.09 0.03 0.00 -0.96 0.00 0.00 56.93 55.53 2kyi s PHE 25 Cb -0.08 -1.71 0.01 0.00 -0.34 0.00 0.00 43.02 40.89 2kyi s PHE 25 CO 0.43 -0.45 -0.13 -1.17 -1.46 0.00 0.00 175.22 172.44 2kyi s LEU 26 N 0.44 1.76 -0.02 6.12 2.96 -0.30 -4.98 118.68 124.66 2kyi s LEU 26 Ca -0.17 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.50 2kyi s LEU 26 Cb -0.17 -0.78 -0.00 0.00 0.50 0.00 0.00 46.19 45.74 2kyi s LEU 26 CO 0.07 0.08 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.53 2kyi s SER 27 N 0.34 1.24 0.02 3.68 0.15 -1.26 -0.97 113.70 116.89 2kyi s SER 27 Ca -0.08 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.38 2kyi s SER 27 Cb -0.12 -0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 63.91 2kyi s SER 27 CO 0.02 0.09 -0.03 -0.22 1.20 0.00 0.00 173.24 174.30 2kyi s LEU 28 N 0.02 2.22 0.27 3.45 2.96 -0.59 -5.00 118.68 122.00 2kyi s LEU 28 Ca -0.00 -0.45 0.10 0.00 -0.22 0.00 0.00 54.13 53.55 2kyi s LEU 28 Cb -0.07 0.08 -0.04 0.00 0.50 0.00 0.00 46.19 46.65 2kyi s LEU 28 CO 0.00 -0.27 -0.01 0.42 -1.32 0.00 0.00 176.35 175.17 2kyi s THR 29 N -1.31 3.41 0.00 3.68 -4.23 -1.26 -1.71 115.64 114.21 2kyi s THR 29 Ca -0.14 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 2kyi s THR 29 Cb -0.09 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.93 2kyi s THR 29 CO -0.01 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 2kyi n GLY 30 N -0.87 0.75 3.71 3.99 0.00 0.56 -4.89 105.19 108.43 2kyi n GLY 30 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.40 2.81 -0.25 1.61 1.01 -0.58 -0.99 120.40 121.61 2kyi s VAL 31 Ca 0.00 0.52 -0.11 0.00 0.00 0.00 0.00 61.98 62.40 2kyi s VAL 31 Cb 0.00 -3.34 -0.11 0.00 0.00 0.00 0.00 36.38 32.93 2kyi s VAL 31 CO 0.00 0.03 -0.31 -0.24 0.00 0.00 0.00 175.10 174.58 2kyi n SER 32 N 4.34 1.83 -3.74 3.32 2.88 0.16 -4.75 113.62 117.66 2kyi n SER 32 Ca 0.14 0.25 -0.14 0.00 -1.33 0.00 0.00 58.87 57.79 2kyi n SER 32 Cb 0.39 -0.69 -0.09 0.00 -0.75 0.00 0.00 64.21 63.07 2kyi n SER 32 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2kyi s LYS 33 N -2.46 0.64 -0.48 -1.46 2.20 -0.58 -5.03 119.74 112.57 2kyi s LYS 33 Ca -0.35 0.04 -0.22 0.00 -0.36 0.00 0.00 55.97 55.08 2kyi s LYS 33 Cb 0.13 0.29 0.03 0.00 -1.51 0.00 0.00 37.83 36.77 2kyi s LYS 33 CO 0.46 -0.16 0.76 0.08 -0.36 0.00 0.00 175.35 176.13 2kyi s VAL 34 N -0.89 4.67 0.00 4.02 1.01 -1.26 -0.17 120.40 127.78 2kyi s VAL 34 Ca -0.10 0.20 -0.24 0.00 0.00 0.00 0.00 61.98 61.84 2kyi s VAL 34 Cb -0.04 -4.34 -0.13 0.00 0.00 0.00 0.00 36.38 31.87 2kyi s VAL 34 CO 0.04 -0.78 1.01 1.56 0.00 0.00 0.00 175.10 176.92 2kyi h GLN 35 N 9.03 -0.80 -4.43 2.72 1.08 -0.92 -3.45 115.11 118.35 2kyi h GLN 35 Ca -0.26 0.05 -0.49 0.00 -1.45 0.00 0.00 58.65 56.51 2kyi h GLN 35 Cb 1.09 0.18 -0.33 0.00 -0.05 0.00 0.00 27.48 28.36 2kyi h GLN 35 CO 0.97 -0.51 -0.80 0.45 -0.95 0.00 0.00 178.83 177.98 2kyi s SER 36 N -4.61 1.56 -0.33 1.46 0.15 -1.23 -4.97 113.70 105.73 2kyi s SER 36 Ca -0.13 -0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.28 2kyi s SER 36 Cb 0.01 -0.73 0.08 0.00 -1.71 0.00 0.00 66.02 63.68 2kyi s SER 36 CO 0.39 0.02 0.03 0.12 1.20 0.00 0.00 173.24 175.00 2kyi s PHE 37 N 0.70 3.51 0.00 3.44 5.36 -1.26 -0.98 117.98 128.76 2kyi s PHE 37 Ca -0.14 -2.50 0.03 0.00 -0.96 0.00 0.00 56.93 53.36 2kyi s PHE 37 Cb -0.15 -2.59 -0.01 0.00 -0.34 0.00 0.00 43.02 39.93 2kyi s PHE 37 CO 0.03 -0.91 -0.09 0.34 -1.46 0.00 0.00 175.22 173.13 2kyi s ASP 38 N 1.21 1.06 0.23 6.13 2.15 -0.64 -5.03 116.67 121.78 2kyi s ASP 38 Ca 0.02 -0.23 0.13 0.00 0.43 0.00 0.00 52.55 52.91 2kyi s ASP 38 Cb -0.20 -0.09 0.73 0.00 -0.30 0.00 0.00 42.92 43.05 2kyi s ASP 38 CO -0.05 0.06 1.37 -2.65 -0.17 0.00 0.00 175.17 173.73 2kyi n PRO 39 N 2.60 0.09 -0.00 4.34 -0.02 -1.26 -1.09 135.00 139.66 2kyi n PRO 39 Ca -0.15 0.56 0.06 0.00 -2.02 0.00 0.00 63.50 61.95 2kyi n PRO 39 Cb 0.57 -1.87 -0.07 0.00 -0.02 0.00 0.00 33.50 32.10 2kyi n PRO 39 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2kyi n LYS 40 N -1.97 2.54 -3.60 -0.52 5.02 -1.26 -2.00 118.16 116.37 2kyi n LYS 40 Ca -0.01 -0.02 -0.01 0.00 -2.02 0.00 0.00 58.31 56.24 2kyi n LYS 40 Cb 0.11 -1.10 -0.05 0.00 -0.02 0.00 0.00 35.03 33.97 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 -2.26 0.53 -0.10 1.97 2.12 -0.25 -0.02 118.70 120.70 2kyi s GLU 41 Ca 0.02 1.23 0.03 0.00 0.36 0.00 0.00 54.97 56.62 2kyi s GLU 41 Cb 0.09 0.63 0.00 0.00 0.26 0.00 0.00 34.13 35.11 2kyi s GLU 41 CO 0.48 -0.17 -0.21 0.42 -0.54 0.00 0.00 175.26 175.25 2kyi s ILE 42 N 2.53 1.85 -0.47 -3.70 1.01 0.67 -1.62 121.20 121.46 2kyi s ILE 42 Ca -0.06 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.54 2kyi s ILE 42 Cb -0.09 -1.62 0.06 0.00 0.01 0.00 0.00 42.46 40.83 2kyi s ILE 42 CO -0.19 0.51 0.42 -0.76 0.00 0.00 0.00 174.94 174.93 2kyi s LEU 43 N 0.47 5.46 -0.44 2.97 1.43 -0.15 -0.52 118.68 127.89 2kyi s LEU 43 Ca -0.17 -1.21 -0.16 0.00 -1.03 0.00 0.00 54.13 51.56 2kyi s LEU 43 Cb -0.17 -2.22 0.04 0.00 0.03 0.00 0.00 46.19 43.87 2kyi s LEU 43 CO 0.07 -0.66 0.41 -0.76 0.23 0.00 0.00 176.35 175.63 2kyi s LEU 44 N 1.80 5.19 -0.45 1.79 1.43 0.56 -0.15 118.68 128.85 2kyi s LEU 44 Ca 0.06 -0.98 -0.26 0.00 -1.03 0.00 0.00 54.13 51.93 2kyi s LEU 44 Cb -0.23 -2.26 0.03 0.00 0.03 0.00 0.00 46.19 43.75 2kyi s LEU 44 CO 0.08 -0.60 0.95 -0.70 0.23 0.00 0.00 176.35 176.30 2kyi s GLU 45 N 1.91 3.59 0.05 1.70 -6.30 0.77 0.31 118.70 120.72 2kyi s GLU 45 Ca 0.08 0.25 0.07 0.00 -2.50 0.00 0.00 54.97 52.87 2kyi s GLU 45 Cb -0.20 -3.91 -0.03 0.00 0.00 0.00 0.00 34.13 29.99 2kyi s GLU 45 CO 0.10 -1.20 -0.17 -0.08 0.02 0.00 0.00 175.26 173.93 2kyi s THR 46 N 3.79 2.87 0.00 -1.70 -1.32 0.83 0.37 115.64 120.47 2kyi s THR 46 Ca 0.38 -1.19 0.00 0.00 -1.21 0.00 0.00 61.69 59.67 2kyi s THR 46 Cb -0.10 -2.22 0.00 0.00 -1.51 0.00 0.00 72.50 68.67 2kyi s THR 46 CO 0.26 0.31 0.00 -0.38 -2.21 0.00 0.00 174.62 172.60 2kyi n ILE 47 N 1.46 0.00 -2.09 5.08 5.41 -0.16 0.14 119.36 129.20 2kyi n ILE 47 Ca -0.16 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.58 2kyi n ILE 47 Cb 0.52 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.44 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 0.00 0.00 -3.92 0.38 7.27 -1.26 -4.91 117.38 114.94 2kyi n GLN 48 Ca 0.00 -0.83 -0.12 0.00 0.07 0.00 0.00 57.00 56.12 2kyi n GLN 48 Cb 0.00 -0.03 -0.14 0.00 2.41 0.00 0.00 30.24 32.49 2kyi n GLN 48 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 2kyi s GLY 49 N -0.83 0.06 -0.24 1.69 0.00 0.12 -5.13 107.32 102.99 2kyi s GLY 49 Ca 0.06 -0.10 -0.16 0.00 0.00 0.00 0.00 44.72 44.53 2kyi s GLY 49 CO -0.03 -0.10 0.40 0.14 0.00 0.00 0.00 173.10 173.51 2kyi s VAL 50 N -0.18 5.17 -0.15 1.40 1.01 -1.26 -0.12 120.40 126.27 2kyi s VAL 50 Ca -0.02 0.67 -0.13 0.00 0.00 0.00 0.00 61.98 62.50 2kyi s VAL 50 Cb -0.01 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 2kyi s VAL 50 CO -0.00 0.19 0.28 -0.22 0.00 0.00 0.00 175.10 175.35 2kyi s LEU 51 N 1.80 4.27 -0.38 3.92 2.96 0.15 -4.59 118.68 126.80 2kyi s LEU 51 Ca 0.17 0.52 -0.15 0.00 -0.22 0.00 0.00 54.13 54.46 2kyi s LEU 51 Cb -0.15 -2.36 0.01 0.00 0.50 0.00 0.00 46.19 44.18 2kyi s LEU 51 CO 0.09 0.14 0.30 -0.55 -1.32 0.00 0.00 176.35 175.00 2kyi s SER 52 N 0.27 6.11 -0.35 3.68 0.15 -0.62 -0.32 113.70 122.61 2kyi s SER 52 Ca 0.17 -0.68 -0.13 0.00 0.70 0.00 0.00 55.95 56.01 2kyi s SER 52 Cb -0.13 -2.16 -0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2kyi s SER 52 CO 0.04 -0.38 0.24 -0.63 1.20 0.00 0.00 173.24 173.71 2kyi s ILE 53 N 1.76 5.11 -0.05 6.45 -1.09 0.32 -1.80 121.20 131.89 2kyi s ILE 53 Ca 0.06 -0.41 0.03 0.00 -2.23 0.00 0.00 60.65 58.11 2kyi s ILE 53 Cb -0.18 -3.69 -0.02 0.00 -1.58 0.00 0.00 42.46 36.98 2kyi s ILE 53 CO 0.11 -0.09 -0.14 -0.75 -1.23 0.00 0.00 174.94 172.83 2kyi s LYS 54 N 1.68 2.55 0.00 2.79 2.20 -0.39 -0.24 119.74 128.34 2kyi s LYS 54 Ca 0.05 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 54.96 2kyi s LYS 54 Cb -0.18 -2.39 0.00 0.00 -1.51 0.00 0.00 37.83 33.75 2kyi s LYS 54 CO 0.09 0.59 0.00 0.41 -0.36 0.00 0.00 175.35 176.09 2kyi n GLY 55 N 2.40 -0.92 3.44 5.54 0.00 0.97 0.14 105.19 116.76 2kyi n GLY 55 Ca -0.17 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 2kyi n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kyi s GLU 56 N -0.38 0.83 -1.30 1.61 -6.30 0.92 -4.40 118.70 109.68 2kyi s GLU 56 Ca 0.00 0.34 -0.07 0.00 -2.50 0.00 0.00 54.97 52.74 2kyi s GLU 56 Cb 0.00 0.39 0.01 0.00 0.00 0.00 0.00 34.13 34.53 2kyi s GLU 56 CO 0.00 -0.21 0.98 1.17 0.02 0.00 0.00 175.26 177.22 2kyi n LYS 57 N 1.63 -6.74 -1.71 4.30 4.81 -1.00 -0.58 118.16 118.88 2kyi n LYS 57 Ca -0.18 0.78 -0.35 0.00 -0.87 0.00 0.00 58.31 57.70 2kyi n LYS 57 Cb 0.56 -5.61 -0.06 0.00 0.02 0.00 0.00 35.03 29.94 2kyi n LYS 57 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2kyi n LEU 58 N -4.46 3.55 -4.66 3.14 4.32 -0.85 -4.27 117.00 113.76 2kyi n LEU 58 Ca -0.02 -3.09 -0.49 0.00 -0.02 0.00 0.00 56.01 52.40 2kyi n LEU 58 Cb 0.57 -1.49 -0.05 0.00 -1.62 0.00 0.00 43.42 40.83 2kyi n LEU 58 CO 0.56 -1.17 1.53 0.61 -1.22 0.00 0.00 177.39 177.70 2kyi n GLY 59 N 5.26 1.34 3.47 -0.72 0.00 0.44 -4.87 105.19 110.11 2kyi n GLY 59 Ca 0.47 0.87 -0.40 0.00 0.00 0.00 0.00 46.02 46.96 2kyi n GLY 59 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kyi s ILE 60 N 4.51 4.93 -0.31 -0.61 1.10 -1.26 -2.50 121.20 127.06 2kyi s ILE 60 Ca 0.95 -0.44 -0.29 0.00 -0.51 0.00 0.00 60.65 60.36 2kyi s ILE 60 Cb -0.71 -3.58 0.01 0.00 0.15 0.00 0.00 42.46 38.32 2kyi s ILE 60 CO 0.52 -0.05 1.21 -0.54 -2.11 0.00 0.00 174.94 173.97 2kyi s LYS 61 N 1.65 3.97 -0.70 3.50 1.02 -1.26 -4.95 119.74 122.97 2kyi s LYS 61 Ca 0.05 1.16 -0.26 0.00 0.02 0.00 0.00 55.97 56.94 2kyi s LYS 61 Cb -0.18 -3.83 0.04 0.00 -0.52 0.00 0.00 37.83 33.34 2kyi s LYS 61 CO 0.08 -1.05 1.19 -1.58 -0.92 0.00 0.00 175.35 173.07 2kyi s HIS 62 N 4.10 2.42 -0.05 3.18 5.65 -1.26 -4.83 115.29 124.50 2kyi s HIS 62 Ca 0.52 -0.13 0.01 0.00 0.25 0.00 0.00 55.06 55.71 2kyi s HIS 62 Cb -0.15 -4.52 0.02 0.00 -1.18 0.00 0.00 32.58 26.75 2kyi s HIS 62 CO 0.21 -1.91 -0.05 -0.51 -0.65 0.00 0.00 174.74 171.82 2kyi s LEU 63 N 5.21 1.31 0.00 8.88 1.43 -1.26 -5.04 118.68 129.21 2kyi s LEU 63 Ca 0.32 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 53.24 2kyi s LEU 63 Cb -0.10 -0.50 -0.15 0.00 0.03 0.00 0.00 46.19 45.47 2kyi s LEU 63 CO 0.15 -0.06 2.79 0.47 0.23 0.00 0.00 176.35 179.93 2kyi n ASP 64 N 4.12 4.92 -2.97 2.29 8.00 -1.26 -4.66 116.55 126.99 2kyi n ASP 64 Ca -0.23 -2.37 -0.22 0.00 0.71 0.00 0.00 54.79 52.68 2kyi n ASP 64 Cb 0.51 -1.21 0.02 0.00 -0.02 0.00 0.00 41.12 40.41 2kyi n ASP 64 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2kyi n LEU 65 N 2.13 -2.23 -0.17 0.64 4.77 -1.26 -4.88 117.00 116.01 2kyi n LEU 65 Ca 0.24 -0.24 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 2kyi n LEU 65 Cb 0.70 -2.73 0.05 0.00 -2.33 0.00 0.00 43.42 39.11 2kyi n LEU 65 CO 0.08 0.13 1.02 0.11 -1.33 0.00 0.00 177.39 177.40 2kyi h LYS 66 N -1.02 0.47 -0.36 3.23 1.79 -1.88 -1.62 116.57 117.18 2kyi h LYS 66 Ca -0.49 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 2kyi h LYS 66 Cb 1.34 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 2kyi h LYS 66 CO 0.55 0.31 0.00 0.00 -1.08 0.00 0.00 179.45 179.23 2kyi n ALA 67 N -2.34 2.45 -0.90 3.86 0.00 -1.26 -4.90 120.51 117.42 2kyi n ALA 67 Ca 0.04 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.66 2kyi n ALA 67 Cb 0.14 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 1.34 0.24 3.28 0.00 0.00 -0.61 -4.81 105.19 104.63 2kyi n GLY 68 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2kyi n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kyi s GLN 69 N -1.06 1.87 -0.00 1.61 0.74 -1.26 -0.33 119.66 121.23 2kyi s GLN 69 Ca 0.00 -0.89 0.02 0.00 0.05 0.00 0.00 55.36 54.54 2kyi s GLN 69 Cb 0.00 -1.85 -0.01 0.00 1.10 0.00 0.00 33.01 32.25 2kyi s GLN 69 CO 0.00 0.50 -0.06 0.54 -0.55 0.00 0.00 175.29 175.73 2kyi s VAL 70 N -0.61 0.44 -0.03 1.34 0.11 -0.69 -4.75 120.40 116.21 2kyi s VAL 70 Ca 0.09 -0.27 0.01 0.00 -2.93 0.00 0.00 61.98 58.88 2kyi s VAL 70 Cb -0.09 -0.38 0.02 0.00 -1.53 0.00 0.00 36.38 34.40 2kyi s VAL 70 CO -0.00 0.10 -0.01 -1.83 -3.33 0.00 0.00 175.10 170.03 2kyi s GLU 71 N -0.18 0.42 0.26 1.54 4.04 -1.26 -1.55 118.70 121.97 2kyi s GLU 71 Ca 0.02 0.01 0.03 0.00 0.04 0.00 0.00 54.97 55.07 2kyi s GLU 71 Cb -0.02 -0.54 -0.05 0.00 0.02 0.00 0.00 34.13 33.53 2kyi s GLU 71 CO -0.00 -0.10 0.05 0.14 -1.84 0.00 0.00 175.26 173.51 2kyi s VAL 72 N 0.89 0.89 -0.01 1.83 -7.23 -0.15 -4.24 120.40 112.38 2kyi s VAL 72 Ca -0.10 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 58.10 2kyi s VAL 72 Cb -0.13 -2.56 -0.01 0.00 0.56 0.00 0.00 36.38 34.24 2kyi s VAL 72 CO -0.01 -0.13 -0.13 -1.83 -0.31 0.00 0.00 175.10 172.69 2kyi s GLU 73 N -3.93 1.10 0.00 4.82 4.04 -1.04 -1.16 118.70 122.52 2kyi s GLU 73 Ca 0.34 -0.48 0.00 0.00 0.04 0.00 0.00 54.97 54.87 2kyi s GLU 73 Cb 0.07 -1.05 0.00 0.00 0.02 0.00 0.00 34.13 33.17 2kyi s GLU 73 CO 0.12 0.28 0.00 0.41 -1.84 0.00 0.00 175.26 174.23 2kyi n GLY 74 N 2.77 -1.52 3.58 -3.83 0.00 -0.25 -0.42 105.19 105.53 2kyi n GLY 74 Ca -0.14 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 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 3.91 -0.42 0.99 1.43 0.26 -0.82 118.68 124.03 2kyi s LEU 75 Ca 0.00 0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 53.28 2kyi s LEU 75 Cb 0.00 -3.31 0.02 0.00 0.03 0.00 0.00 46.19 42.93 2kyi s LEU 75 CO 0.00 -1.05 0.34 0.27 0.23 0.00 0.00 176.35 176.14 2kyi s ILE 76 N 3.87 5.21 -0.14 -0.59 -4.36 -1.26 -0.06 121.20 123.88 2kyi s ILE 76 Ca 0.40 -0.59 -0.24 0.00 -0.26 0.00 0.00 60.65 59.97 2kyi s ILE 76 Cb -0.10 -3.97 -0.21 0.00 1.25 0.00 0.00 42.46 39.43 2kyi s ILE 76 CO 0.26 -0.35 0.62 0.44 0.24 0.00 0.00 174.94 176.14 2kyi h ASP 77 N 8.66 0.00 -4.62 4.36 5.19 -0.63 -3.48 116.42 125.91 2kyi h ASP 77 Ca -0.27 -0.81 -0.26 0.00 -0.62 0.00 0.00 57.03 55.07 2kyi h ASP 77 Cb 1.12 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 40.40 2kyi h ASP 77 CO 0.75 0.93 -0.73 0.00 -3.12 0.00 0.00 179.24 177.07 2kyi s ALA 78 N -2.28 0.42 -0.18 3.45 0.00 -0.28 -4.99 121.76 117.90 2kyi s ALA 78 Ca -0.16 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 2kyi s ALA 78 Cb -0.02 0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.19 2kyi s ALA 78 CO 0.57 -0.03 0.00 -1.17 0.00 0.00 0.00 175.76 175.13 2kyi s LEU 79 N -1.24 1.35 -0.21 0.00 1.98 -1.26 -1.26 118.68 118.04 2kyi s LEU 79 Ca -0.09 -0.73 0.01 0.00 -2.89 0.00 0.00 54.13 50.43 2kyi s LEU 79 Cb -0.08 -0.71 0.05 0.00 0.66 0.00 0.00 46.19 46.11 2kyi s LEU 79 CO -0.00 -0.26 -0.08 -0.69 -1.89 0.00 0.00 176.35 173.43 2kyi s VAL 80 N 1.77 1.58 -0.37 1.68 1.01 -0.74 -5.02 120.40 120.31 2kyi s VAL 80 Ca -0.00 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 60.84 2kyi s VAL 80 Cb -0.16 -1.74 0.07 0.00 0.00 0.00 0.00 36.38 34.55 2kyi s VAL 80 CO -0.07 0.06 0.15 -0.47 0.00 0.00 0.00 175.10 174.76 2kyi s TYR 81 N 1.40 3.36 -0.15 5.22 6.14 -1.26 -1.58 117.35 130.47 2kyi s TYR 81 Ca -0.03 -1.77 -0.29 0.00 0.64 0.00 0.00 57.07 55.61 2kyi s TYR 81 Cb -0.17 -2.65 -0.03 0.00 0.42 0.00 0.00 41.96 39.53 2kyi s TYR 81 CO -0.07 -0.83 1.45 -2.14 0.64 0.00 0.00 175.55 174.59 2kyi s PRO 82 N 1.32 4.12 0.57 4.97 0.02 -1.26 -5.00 135.00 139.74 2kyi s PRO 82 Ca 0.01 1.80 -0.19 0.00 0.02 0.00 0.00 61.00 62.64 2kyi s PRO 82 Cb -0.21 -3.89 -0.04 0.00 0.02 0.00 0.00 34.50 30.37 2kyi s PRO 82 CO 0.00 -0.88 1.15 -0.48 -0.33 0.00 0.00 177.00 176.46 2kyi s LEU 83 N 4.02 3.68 -0.82 -5.54 0.05 -1.26 -4.91 118.68 113.91 2kyi s LEU 83 Ca 0.64 2.22 -0.25 0.00 0.05 0.00 0.00 54.13 56.78 2kyi s LEU 83 Cb -0.26 -4.58 -0.00 0.00 -2.05 0.00 0.00 46.19 39.30 2kyi s LEU 83 CO 0.22 -1.38 1.68 -1.83 -0.55 0.00 0.00 176.35 174.50 2kyi s GLU 84 N -3.39 2.93 -0.55 1.48 -1.05 -1.26 -4.93 118.70 111.94 2kyi s GLU 84 Ca 0.73 -0.23 -0.15 0.00 -0.15 0.00 0.00 54.97 55.18 2kyi s GLU 84 Cb -0.25 -4.78 0.13 0.00 -0.44 0.00 0.00 34.13 28.79 2kyi s GLU 84 CO 0.30 -2.70 0.49 -3.38 0.95 0.00 0.00 175.26 170.92 2kyi s HIS 85 N 7.81 3.31 -0.44 4.83 -3.43 -1.26 -4.90 115.29 121.21 2kyi s HIS 85 Ca 0.57 -1.44 0.10 0.00 -0.80 0.00 0.00 55.06 53.49 2kyi s HIS 85 Cb -0.07 -3.75 0.35 0.00 -1.43 0.00 0.00 32.58 27.68 2kyi s HIS 85 CO 0.06 -1.01 0.81 -2.39 -2.00 0.00 0.00 174.74 170.21 2kyi n HIS 86 N 5.11 1.50 -0.22 0.38 1.44 -1.26 -4.76 115.22 117.40 2kyi n HIS 86 Ca -0.11 -3.85 0.04 0.00 -2.01 0.00 0.00 57.72 51.80 2kyi n HIS 86 Cb 0.40 -0.44 0.12 0.00 0.12 0.00 0.00 29.99 30.19 2kyi n HIS 86 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kyi n HIS 87 N 0.09 0.35 0.00 -1.40 -0.00 -1.26 -5.04 115.22 107.96 2kyi n HIS 87 Ca 0.27 -0.55 0.00 0.00 0.46 0.00 0.00 57.72 57.90 2kyi n HIS 87 Cb 0.58 -0.06 0.00 0.00 -0.12 0.00 0.00 29.99 30.38 2kyi n HIS 87 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kyi n HIS 88 N 0.06 0.00 -1.51 1.57 8.25 -1.26 -2.88 115.22 119.45 2kyi n HIS 88 Ca 0.09 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.54 2kyi n HIS 88 Cb 0.42 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.52 2kyi n HIS 88 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2kyi n HIS 89 N 0.00 0.00 0.57 4.41 1.44 -1.26 -5.19 115.22 115.19 2kyi n HIS 89 Ca 0.00 -0.09 0.07 0.00 -2.01 0.00 0.00 57.72 55.69 2kyi n HIS 89 Cb 0.00 0.26 0.06 0.00 0.12 0.00 0.00 29.99 30.43 2kyi n HIS 89 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11