#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 0.32 0.55 7.83 2.15 -1.26 -5.01 116.67 121.25 2kyi s ASP 21 Ca 0.00 -1.20 0.27 0.00 0.43 0.00 0.00 52.55 52.05 2kyi s ASP 21 Cb 0.00 0.73 1.60 0.00 -0.30 0.00 0.00 42.92 44.94 2kyi s ASP 21 CO 0.00 -1.42 2.17 -1.13 -0.17 0.00 0.00 175.17 174.61 2kyi h ASN 22 N 2.08 0.00 -2.66 -0.34 -0.00 -1.99 -3.39 115.58 109.28 2kyi h ASN 22 Ca -0.29 0.00 -0.56 0.00 -0.00 0.00 0.00 56.30 55.45 2kyi h ASN 22 Cb 1.25 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 39.53 2kyi h ASN 22 CO 0.38 0.06 1.25 0.00 -0.00 0.00 0.00 177.43 179.12 2kyi s ARG 23 N -4.50 3.26 0.46 6.67 1.70 -1.26 -4.16 118.95 121.13 2kyi s ARG 23 Ca -0.04 1.21 0.07 0.00 -0.47 0.00 0.00 55.73 56.49 2kyi s ARG 23 Cb 0.15 -4.20 -0.01 0.00 -0.57 0.00 0.00 34.95 30.32 2kyi s ARG 23 CO 0.58 -1.95 0.35 -0.65 -1.08 0.00 0.00 175.30 172.55 2kyi s GLN 24 N 5.75 2.37 -0.33 3.89 -0.21 -0.19 -4.67 119.66 126.27 2kyi s GLN 24 Ca 0.74 -1.77 -0.09 0.00 0.02 0.00 0.00 55.36 54.26 2kyi s GLN 24 Cb -0.19 -2.20 0.01 0.00 1.00 0.00 0.00 33.01 31.63 2kyi s GLN 24 CO 0.31 -0.33 0.15 -0.06 -2.12 0.00 0.00 175.29 173.24 2kyi s PHE 25 N -2.60 3.20 -0.24 0.91 0.08 -1.26 -2.21 117.98 115.86 2kyi s PHE 25 Ca 0.42 -0.90 -0.05 0.00 0.12 0.00 0.00 56.93 56.51 2kyi s PHE 25 Cb -0.01 -2.35 -0.01 0.00 -0.57 0.00 0.00 43.02 40.08 2kyi s PHE 25 CO 0.25 -0.58 0.01 -1.17 -0.10 0.00 0.00 175.22 173.62 2kyi s LEU 26 N 1.54 3.20 -0.15 -0.37 2.96 -0.04 -4.98 118.68 120.84 2kyi s LEU 26 Ca 0.02 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 2kyi s LEU 26 Cb -0.18 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.72 2kyi s LEU 26 CO 0.05 -0.05 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.41 2kyi s SER 27 N 1.51 2.88 -0.01 3.68 0.01 -1.26 -1.28 113.70 119.23 2kyi s SER 27 Ca 0.05 -0.56 0.02 0.00 1.31 0.00 0.00 55.95 56.78 2kyi s SER 27 Cb -0.15 -1.32 -0.00 0.00 0.21 0.00 0.00 66.02 64.76 2kyi s SER 27 CO -0.01 -0.01 -0.08 -0.22 0.41 0.00 0.00 173.24 173.34 2kyi s LEU 28 N 1.25 1.91 0.27 2.44 2.96 -0.65 -4.97 118.68 121.89 2kyi s LEU 28 Ca 0.02 -0.15 0.07 0.00 -0.22 0.00 0.00 54.13 53.85 2kyi s LEU 28 Cb -0.14 -0.44 -0.04 0.00 0.50 0.00 0.00 46.19 46.08 2kyi s LEU 28 CO -0.09 0.08 0.19 0.42 -1.32 0.00 0.00 176.35 175.63 2kyi s THR 29 N -0.01 4.12 0.00 3.68 -4.23 -1.26 -0.78 115.64 117.16 2kyi s THR 29 Ca 0.00 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 2kyi s THR 29 Cb -0.05 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.50 2kyi s THR 29 CO -0.00 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 2kyi n GLY 30 N -1.19 0.93 3.65 3.99 0.00 0.29 -4.96 105.19 107.90 2kyi n GLY 30 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.01 4.07 -0.07 1.61 1.01 -0.43 -3.08 120.40 121.50 2kyi s VAL 31 Ca 0.00 1.28 0.12 0.00 0.00 0.00 0.00 61.98 63.38 2kyi s VAL 31 Cb 0.00 -3.88 -0.23 0.00 0.00 0.00 0.00 36.38 32.27 2kyi s VAL 31 CO 0.00 -0.17 0.57 -0.24 0.00 0.00 0.00 175.10 175.25 2kyi n SER 32 N 6.98 0.82 -3.56 3.32 2.88 0.15 -4.19 113.62 120.02 2kyi n SER 32 Ca 0.15 0.35 -0.13 0.00 -1.33 0.00 0.00 58.87 57.91 2kyi n SER 32 Cb 0.45 0.04 -0.06 0.00 -0.75 0.00 0.00 64.21 63.89 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 -2.58 0.77 -0.25 -1.46 2.20 -0.86 -5.03 119.74 112.53 2kyi s LYS 33 Ca -0.06 0.26 -0.12 0.00 -0.36 0.00 0.00 55.97 55.69 2kyi s LYS 33 Cb 0.08 0.36 -0.05 0.00 -1.51 0.00 0.00 37.83 36.71 2kyi s LYS 33 CO 0.82 -0.22 0.22 0.54 -0.36 0.00 0.00 175.35 176.35 2kyi s VAL 34 N -0.96 5.31 -0.13 4.02 0.11 -1.26 -0.14 120.40 127.35 2kyi s VAL 34 Ca -0.05 0.29 -0.12 0.00 -2.93 0.00 0.00 61.98 59.17 2kyi s VAL 34 Cb -0.01 -3.56 -0.10 0.00 -1.53 0.00 0.00 36.38 31.18 2kyi s VAL 34 CO 0.04 0.29 0.25 1.56 -3.33 0.00 0.00 175.10 173.91 2kyi h GLN 35 N 7.77 0.00 -2.92 1.54 1.08 -0.86 -3.47 115.11 118.24 2kyi h GLN 35 Ca -0.36 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 56.65 2kyi h GLN 35 Cb 1.17 0.00 -0.30 0.00 -0.05 0.00 0.00 27.48 28.30 2kyi h GLN 35 CO 0.64 0.40 -0.47 0.45 -0.95 0.00 0.00 178.83 178.90 2kyi s SER 36 N -5.88 -0.15 -0.44 1.46 0.15 -1.19 -5.00 113.70 102.65 2kyi s SER 36 Ca -0.10 0.61 -0.11 0.00 0.70 0.00 0.00 55.95 57.05 2kyi s SER 36 Cb -0.00 0.56 0.08 0.00 -1.71 0.00 0.00 66.02 64.94 2kyi s SER 36 CO 0.29 -0.19 0.31 0.12 1.20 0.00 0.00 173.24 174.97 2kyi s PHE 37 N 1.60 3.32 -0.01 3.44 5.36 -1.26 -1.55 117.98 128.87 2kyi s PHE 37 Ca -0.07 -1.38 0.03 0.00 -0.96 0.00 0.00 56.93 54.55 2kyi s PHE 37 Cb -0.11 -3.08 -0.00 0.00 -0.34 0.00 0.00 43.02 39.49 2kyi s PHE 37 CO -0.09 -0.85 -0.09 -0.51 -1.46 0.00 0.00 175.22 172.21 2kyi s ASP 38 N 2.34 1.13 0.00 6.13 1.01 -1.06 -5.01 116.67 121.21 2kyi s ASP 38 Ca 0.03 -0.17 0.01 0.00 0.71 0.00 0.00 52.55 53.13 2kyi s ASP 38 Cb -0.24 -0.17 0.07 0.00 1.01 0.00 0.00 42.92 43.58 2kyi s ASP 38 CO 0.03 0.10 0.52 -2.65 0.21 0.00 0.00 175.17 173.39 2kyi n PRO 39 N 2.96 0.46 -0.00 8.23 -0.02 -1.26 -1.31 135.00 144.06 2kyi n PRO 39 Ca -0.15 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.34 2kyi n PRO 39 Cb 0.56 -1.04 -0.01 0.00 -0.02 0.00 0.00 33.50 32.99 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 -0.54 2.51 -3.20 -0.52 4.76 -1.25 -1.93 118.16 117.99 2kyi n LYS 40 Ca 0.01 -0.01 0.04 0.00 -2.87 0.00 0.00 58.31 55.48 2kyi n LYS 40 Cb 0.00 -0.86 -0.03 0.00 -1.84 0.00 0.00 35.03 32.30 2kyi n LYS 40 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2kyi s GLU 41 N -1.75 0.13 -0.19 1.97 2.56 -0.43 -2.08 118.70 118.91 2kyi s GLU 41 Ca -0.00 0.28 -0.02 0.00 0.00 0.00 0.00 54.97 55.23 2kyi s GLU 41 Cb 0.01 0.16 -0.00 0.00 2.00 0.00 0.00 34.13 36.30 2kyi s GLU 41 CO 0.07 -0.10 -0.10 0.42 -0.56 0.00 0.00 175.26 174.99 2kyi s ILE 42 N 2.65 3.03 -0.45 -3.70 1.01 0.74 -2.57 121.20 121.91 2kyi s ILE 42 Ca -0.03 -0.62 -0.13 0.00 0.00 0.00 0.00 60.65 59.86 2kyi s ILE 42 Cb -0.07 -2.34 0.07 0.00 0.01 0.00 0.00 42.46 40.14 2kyi s ILE 42 CO -0.12 0.47 0.35 -0.76 0.00 0.00 0.00 174.94 174.87 2kyi s LEU 43 N 1.18 5.46 -0.24 2.97 1.43 -0.60 -0.86 118.68 128.02 2kyi s LEU 43 Ca 0.02 -1.38 -0.04 0.00 -1.03 0.00 0.00 54.13 51.70 2kyi s LEU 43 Cb -0.14 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.96 2kyi s LEU 43 CO -0.03 -0.61 -0.03 -0.76 0.23 0.00 0.00 176.35 175.15 2kyi s LEU 44 N 1.57 3.11 -0.40 1.79 1.43 -0.41 -0.08 118.68 125.69 2kyi s LEU 44 Ca 0.04 -0.56 -0.22 0.00 -1.03 0.00 0.00 54.13 52.35 2kyi s LEU 44 Cb -0.24 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.26 2kyi s LEU 44 CO 0.05 -0.07 0.75 -0.70 0.23 0.00 0.00 176.35 176.60 2kyi s GLU 45 N 1.44 3.57 0.00 1.70 2.12 0.80 0.24 118.70 128.58 2kyi s GLU 45 Ca 0.04 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.42 2kyi s GLU 45 Cb -0.15 -3.87 0.00 0.00 0.26 0.00 0.00 34.13 30.37 2kyi s GLU 45 CO -0.03 -0.94 0.00 -2.37 -0.54 0.00 0.00 175.26 171.38 2kyi n THR 46 N 5.89 0.00 -1.53 -1.70 5.66 0.16 0.30 114.28 123.06 2kyi n THR 46 Ca 0.02 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.84 2kyi n THR 46 Cb 0.48 -1.36 -0.14 0.00 -1.55 0.00 0.00 70.33 67.76 2kyi n THR 46 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 2kyi n ILE 47 N -0.20 -0.00 -2.19 1.09 2.08 -1.18 -2.04 119.36 116.93 2kyi n ILE 47 Ca 0.00 -0.50 -0.19 0.00 0.56 0.00 0.00 62.75 62.62 2kyi n ILE 47 Cb 0.00 -1.11 -0.03 0.00 -0.75 0.00 0.00 39.64 37.76 2kyi n ILE 47 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 2kyi n GLN 48 N 7.34 -1.72 -3.70 0.38 7.27 -1.26 -4.94 117.38 120.75 2kyi n GLN 48 Ca 0.56 0.96 -0.12 0.00 0.07 0.00 0.00 57.00 58.48 2kyi n GLN 48 Cb 0.30 -5.53 -0.10 0.00 2.41 0.00 0.00 30.24 27.32 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 -2.18 -0.36 -0.19 1.69 0.00 -0.86 -4.46 107.32 100.96 2kyi s GLY 49 Ca 0.00 1.47 -0.14 0.00 0.00 0.00 0.00 44.72 46.04 2kyi s GLY 49 CO 0.00 1.42 0.33 0.14 0.00 0.00 0.00 173.10 174.99 2kyi s VAL 50 N 0.77 5.26 -0.25 1.40 1.01 -1.26 0.39 120.40 127.72 2kyi s VAL 50 Ca -0.04 0.57 -0.14 0.00 0.00 0.00 0.00 61.98 62.37 2kyi s VAL 50 Cb -0.05 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2kyi s VAL 50 CO -0.06 0.32 0.32 -0.22 0.00 0.00 0.00 175.10 175.46 2kyi s LEU 51 N 0.95 4.08 -0.36 3.92 2.96 0.14 -4.01 118.68 126.36 2kyi s LEU 51 Ca 0.16 0.28 -0.13 0.00 -0.22 0.00 0.00 54.13 54.23 2kyi s LEU 51 Cb -0.14 -2.36 0.00 0.00 0.50 0.00 0.00 46.19 44.19 2kyi s LEU 51 CO 0.06 -0.10 0.23 -0.55 -1.32 0.00 0.00 176.35 174.68 2kyi s SER 52 N 1.39 5.93 -0.34 3.68 0.15 0.12 -1.28 113.70 123.35 2kyi s SER 52 Ca 0.14 -0.64 -0.06 0.00 0.70 0.00 0.00 55.95 56.09 2kyi s SER 52 Cb -0.15 -2.10 0.04 0.00 -1.71 0.00 0.00 66.02 62.10 2kyi s SER 52 CO 0.09 -0.30 0.10 -0.63 1.20 0.00 0.00 173.24 173.70 2kyi s ILE 53 N 1.67 3.73 -0.10 6.45 1.01 -0.04 -0.39 121.20 133.53 2kyi s ILE 53 Ca 0.05 -1.17 -0.03 0.00 0.00 0.00 0.00 60.65 59.49 2kyi s ILE 53 Cb -0.18 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 2kyi s ILE 53 CO 0.09 -0.19 0.04 -0.75 0.00 0.00 0.00 174.94 174.13 2kyi s LYS 54 N 1.39 3.14 0.00 2.79 2.36 0.71 -0.18 119.74 129.94 2kyi s LYS 54 Ca -0.02 -0.34 0.00 0.00 -2.55 0.00 0.00 55.97 53.07 2kyi s LYS 54 Cb -0.20 -2.91 0.00 0.00 -1.05 0.00 0.00 37.83 33.68 2kyi s LYS 54 CO 0.02 0.70 0.00 0.41 1.55 0.00 0.00 175.35 178.04 2kyi n GLY 55 N 2.16 -0.66 3.04 5.54 0.00 -0.88 -0.26 105.19 114.13 2kyi n GLY 55 Ca -0.19 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.80 0.42 -1.74 1.61 2.02 -0.09 -3.94 118.70 116.18 2kyi s GLU 56 Ca 0.00 -0.58 -0.00 0.00 0.02 0.00 0.00 54.97 54.41 2kyi s GLU 56 Cb 0.00 0.16 0.00 0.00 0.10 0.00 0.00 34.13 34.39 2kyi s GLU 56 CO 0.00 -0.09 0.01 1.63 0.02 0.00 0.00 175.26 176.83 2kyi n LYS 57 N 1.38 -1.68 -1.92 1.61 5.02 -0.81 -0.18 118.16 121.59 2kyi n LYS 57 Ca -0.23 0.99 -0.42 0.00 -2.02 0.00 0.00 58.31 56.63 2kyi n LYS 57 Cb 0.56 -5.62 -0.00 0.00 -0.02 0.00 0.00 35.03 29.94 2kyi n LYS 57 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2kyi n LEU 58 N -2.94 6.19 -4.71 -0.35 7.94 -1.09 -4.01 117.00 118.03 2kyi n LEU 58 Ca -0.24 -4.01 -0.37 0.00 -1.11 0.00 0.00 56.01 50.28 2kyi n LEU 58 Cb 0.68 -1.66 -0.07 0.00 0.53 0.00 0.00 43.42 42.91 2kyi n LEU 58 CO 0.28 0.75 0.09 -0.83 -1.11 0.00 0.00 177.39 176.57 2kyi s GLY 59 N 3.60 2.26 0.42 -3.96 0.00 0.04 -4.27 107.32 105.40 2kyi s GLY 59 Ca 0.50 -0.36 -0.22 0.00 0.00 0.00 0.00 44.72 44.64 2kyi s GLY 59 CO -0.03 0.66 0.95 -1.50 0.00 0.00 0.00 173.10 173.18 2kyi s ILE 60 N 0.72 4.33 -0.00 0.90 2.07 -1.26 -0.92 121.20 127.03 2kyi s ILE 60 Ca 0.21 1.51 -0.00 0.00 -1.41 0.00 0.00 60.65 60.96 2kyi s ILE 60 Cb -0.14 -3.64 -0.00 0.00 0.13 0.00 0.00 42.46 38.80 2kyi s ILE 60 CO 0.07 -0.25 -0.00 0.29 -1.91 0.00 0.00 174.94 173.13 2kyi n LYS 61 N -0.50 0.01 -2.81 3.50 5.02 0.48 -4.86 118.16 118.99 2kyi n LYS 61 Ca 0.06 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.93 2kyi n LYS 61 Cb 0.53 -0.44 -0.04 0.00 -0.02 0.00 0.00 35.03 35.07 2kyi n LYS 61 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2kyi s HIS 62 N -1.02 2.68 -2.25 2.13 3.76 -1.22 -4.84 115.29 114.52 2kyi s HIS 62 Ca -0.00 -0.23 0.21 0.00 -0.15 0.00 0.00 55.06 54.88 2kyi s HIS 62 Cb 0.00 -4.23 0.53 0.00 1.11 0.00 0.00 32.58 29.99 2kyi s HIS 62 CO 0.00 -1.56 1.45 1.47 -0.85 0.00 0.00 174.74 175.25 2kyi n LEU 63 N 7.80 2.99 -4.66 0.89 -0.00 -1.26 -3.89 117.00 118.86 2kyi n LEU 63 Ca -0.00 -1.37 -0.43 0.00 -0.00 0.00 0.00 56.01 54.21 2kyi n LEU 63 Cb 0.47 -0.28 -0.02 0.00 -0.00 0.00 0.00 43.42 43.59 2kyi n LEU 63 CO 0.65 0.68 0.98 -1.81 -0.00 0.00 0.00 177.39 177.90 2kyi s ASP 64 N -1.31 7.04 0.02 1.45 1.11 -1.26 -4.95 116.67 118.77 2kyi s ASP 64 Ca 0.38 1.56 -0.20 0.00 0.18 0.00 0.00 52.55 54.48 2kyi s ASP 64 Cb 0.21 -2.54 -0.11 0.00 1.07 0.00 0.00 42.92 41.55 2kyi s ASP 64 CO 0.29 -0.69 1.18 0.25 1.18 0.00 0.00 175.17 177.38 2kyi h LEU 65 N 9.35 -0.60 0.00 1.23 5.85 -1.89 -3.42 115.31 125.83 2kyi h LEU 65 Ca -0.24 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2kyi h LEU 65 Cb 1.09 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2kyi h LEU 65 CO 0.96 -0.39 0.00 1.17 -0.34 0.00 0.00 178.44 179.83 2kyi n LYS 66 N -4.08 0.00 0.00 1.25 4.81 -1.26 0.06 118.16 118.94 2kyi n LYS 66 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 2kyi n LYS 66 Cb 0.28 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.33 2kyi n LYS 66 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kyi n ALA 67 N 0.56 1.62 -0.75 3.14 0.00 -1.26 -5.00 120.51 118.82 2kyi n ALA 67 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2kyi n ALA 67 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.07 0.95 3.18 0.00 0.00 0.11 -4.49 105.19 104.86 2kyi n GLY 68 Ca 0.00 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.45 2.87 -0.10 1.61 0.74 -1.18 -0.55 119.66 121.60 2kyi s GLN 69 Ca 0.00 -0.94 -0.02 0.00 0.05 0.00 0.00 55.36 54.45 2kyi s GLN 69 Cb 0.00 -2.89 -0.03 0.00 1.10 0.00 0.00 33.01 31.19 2kyi s GLN 69 CO 0.00 -0.35 -0.02 0.54 -0.55 0.00 0.00 175.29 174.90 2kyi s VAL 70 N 1.31 4.06 -0.22 1.34 0.11 0.04 -4.80 120.40 122.24 2kyi s VAL 70 Ca 0.01 -0.33 0.01 0.00 -2.93 0.00 0.00 61.98 58.74 2kyi s VAL 70 Cb -0.16 -2.72 0.05 0.00 -1.53 0.00 0.00 36.38 32.02 2kyi s VAL 70 CO -0.06 0.57 -0.08 -1.61 -3.33 0.00 0.00 175.10 170.58 2kyi s GLU 71 N -0.47 1.88 0.03 1.54 2.02 -1.25 -1.64 118.70 120.82 2kyi s GLU 71 Ca 0.08 -0.96 0.05 0.00 0.02 0.00 0.00 54.97 54.17 2kyi s GLU 71 Cb -0.12 -2.53 -0.02 0.00 0.10 0.00 0.00 34.13 31.55 2kyi s GLU 71 CO 0.02 -0.51 -0.16 0.54 0.02 0.00 0.00 175.26 175.17 2kyi s VAL 72 N 1.37 1.26 0.17 2.63 0.11 -0.41 -0.39 120.40 125.14 2kyi s VAL 72 Ca -0.04 -1.00 0.08 0.00 -2.93 0.00 0.00 61.98 58.08 2kyi s VAL 72 Cb -0.18 -1.12 -0.04 0.00 -1.53 0.00 0.00 36.38 33.52 2kyi s VAL 72 CO -0.07 0.10 -0.03 -1.61 -3.33 0.00 0.00 175.10 170.15 2kyi s GLU 73 N -1.05 2.29 0.00 1.54 2.02 -0.10 -0.86 118.70 122.55 2kyi s GLU 73 Ca 0.04 -1.14 0.00 0.00 0.02 0.00 0.00 54.97 53.88 2kyi s GLU 73 Cb -0.08 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 31.85 2kyi s GLU 73 CO 0.01 0.45 0.00 0.41 0.02 0.00 0.00 175.26 176.16 2kyi n GLY 74 N -0.01 0.91 3.57 -1.39 0.00 -0.94 -0.78 105.19 106.54 2kyi n GLY 74 Ca -0.10 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 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 3.60 -0.17 0.99 1.43 0.75 -1.02 118.68 124.26 2kyi s LEU 75 Ca 0.00 -1.76 -0.29 0.00 -1.03 0.00 0.00 54.13 51.05 2kyi s LEU 75 Cb 0.00 -2.57 -0.01 0.00 0.03 0.00 0.00 46.19 43.64 2kyi s LEU 75 CO 0.00 -1.45 1.17 0.27 0.23 0.00 0.00 176.35 176.57 2kyi s ILE 76 N 4.95 4.43 -0.19 -0.59 -4.36 -1.26 -0.91 121.20 123.26 2kyi s ILE 76 Ca 0.50 1.73 -0.04 0.00 -0.26 0.00 0.00 60.65 62.58 2kyi s ILE 76 Cb 0.01 -4.11 -0.10 0.00 1.25 0.00 0.00 42.46 39.50 2kyi s ILE 76 CO -0.04 -0.12 -0.21 -0.67 0.24 0.00 0.00 174.94 174.14 2kyi n ASP 77 N 6.23 2.02 -3.91 4.36 2.03 0.64 -4.97 116.55 122.96 2kyi n ASP 77 Ca 0.13 0.06 -0.17 0.00 0.52 0.00 0.00 54.79 55.33 2kyi n ASP 77 Cb 0.46 -0.43 -0.15 0.00 -0.72 0.00 0.00 41.12 40.28 2kyi n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kyi s ALA 78 N -2.37 0.44 -0.21 -1.67 0.00 -0.23 -5.00 121.76 112.72 2kyi s ALA 78 Ca -0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 2kyi s ALA 78 Cb 0.08 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.99 2kyi s ALA 78 CO 0.39 0.04 -0.11 -0.51 0.00 0.00 0.00 175.76 175.57 2kyi s LEU 79 N 0.38 2.63 -0.10 0.00 2.01 -1.26 -0.21 118.68 122.13 2kyi s LEU 79 Ca -0.04 -0.59 0.02 0.00 0.01 0.00 0.00 54.13 53.53 2kyi s LEU 79 Cb -0.07 -1.62 0.01 0.00 0.01 0.00 0.00 46.19 44.52 2kyi s LEU 79 CO -0.00 -0.03 -0.15 -0.69 1.01 0.00 0.00 176.35 176.49 2kyi s VAL 80 N 1.37 1.42 -0.31 -1.59 1.01 0.48 -4.99 120.40 117.79 2kyi s VAL 80 Ca 0.04 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.43 2kyi s VAL 80 Cb -0.14 -1.30 0.09 0.00 0.00 0.00 0.00 36.38 35.03 2kyi s VAL 80 CO -0.08 0.42 0.05 -0.47 0.00 0.00 0.00 175.10 175.02 2kyi s TYR 81 N 0.91 2.73 -0.08 5.22 6.14 -1.26 0.13 117.35 131.15 2kyi s TYR 81 Ca -0.09 -2.29 -0.29 0.00 0.64 0.00 0.00 57.07 55.05 2kyi s TYR 81 Cb -0.15 -2.21 -0.02 0.00 0.42 0.00 0.00 41.96 40.00 2kyi s TYR 81 CO -0.00 -0.89 0.96 -1.25 0.64 0.00 0.00 175.55 175.01 2kyi s PRO 82 N 1.26 4.44 -0.23 4.97 0.04 -1.26 -5.00 135.00 139.23 2kyi s PRO 82 Ca 0.07 1.31 -0.29 0.00 0.04 0.00 0.00 61.00 62.14 2kyi s PRO 82 Cb -0.18 -3.52 -0.03 0.00 0.04 0.00 0.00 34.50 30.81 2kyi s PRO 82 CO -0.14 -0.22 1.62 -0.51 0.04 0.00 0.00 177.00 177.79 2kyi s LEU 83 N 1.69 3.88 0.32 -3.56 1.43 -1.26 -4.47 118.68 116.71 2kyi s LEU 83 Ca 0.47 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 2kyi s LEU 83 Cb -0.19 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.50 2kyi s LEU 83 CO 0.20 -1.28 0.00 -0.62 0.23 0.00 0.00 176.35 174.88 2kyi n GLU 84 N 7.69 -2.48 -1.93 1.70 -0.58 -1.26 -4.68 120.64 119.10 2kyi n GLU 84 Ca 0.19 1.89 -0.43 0.00 -0.42 0.00 0.00 57.16 58.39 2kyi n GLU 84 Cb 0.45 -2.26 -0.03 0.00 -0.57 0.00 0.00 31.44 29.03 2kyi n GLU 84 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2kyi s HIS 85 N -4.00 1.71 0.00 -0.32 3.76 -1.26 -4.92 115.29 110.26 2kyi s HIS 85 Ca 0.00 0.53 0.00 0.00 -0.15 0.00 0.00 55.06 55.44 2kyi s HIS 85 Cb 0.00 -4.07 0.00 0.00 1.11 0.00 0.00 32.58 29.62 2kyi s HIS 85 CO 0.00 -3.32 0.89 1.58 -0.85 0.00 0.00 174.74 173.04 2kyi n HIS 86 N 10.04 0.00 -2.87 1.40 -0.00 -1.26 -4.75 115.22 117.78 2kyi n HIS 86 Ca 0.23 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.26 2kyi n HIS 86 Cb 0.46 -0.39 -0.01 0.00 -0.12 0.00 0.00 29.99 29.93 2kyi n HIS 86 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kyi n HIS 87 N -2.16 -1.65 0.07 1.57 -0.00 -1.26 -4.77 115.22 107.02 2kyi n HIS 87 Ca 0.00 0.21 -0.03 0.00 -0.00 0.00 0.00 57.72 57.91 2kyi n HIS 87 Cb 0.00 -2.60 -0.06 0.00 -0.00 0.00 0.00 29.99 27.33 2kyi n HIS 87 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kyi h HIS 88 N -0.43 0.00 -3.90 1.57 2.76 -2.03 -3.42 115.15 109.70 2kyi h HIS 88 Ca -0.32 0.00 -0.68 0.00 -2.20 0.00 0.00 60.37 57.17 2kyi h HIS 88 Cb 1.22 0.00 -0.27 0.00 1.55 0.00 0.00 27.41 29.91 2kyi h HIS 88 CO 0.71 0.74 -0.81 -1.58 -1.30 0.00 0.00 177.93 175.69 2kyi s HIS 89 N -2.82 2.62 -2.34 5.26 5.65 -1.26 -5.33 115.29 117.06 2kyi s HIS 89 Ca 0.01 -0.47 0.29 0.00 0.25 0.00 0.00 55.06 55.14 2kyi s HIS 89 Cb 0.09 -1.66 1.32 0.00 -1.18 0.00 0.00 32.58 31.15 2kyi s HIS 89 CO 0.79 -0.05 1.90 1.58 -0.65 0.00 0.00 174.74 178.31