#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 -3.80 0.00 7.83 -0.08 -1.26 -4.72 116.55 114.52 2kyi n ASP 21 Ca 0.00 0.26 0.00 0.00 -1.51 0.00 0.00 54.79 53.54 2kyi n ASP 21 Cb 0.00 -0.72 0.00 0.00 2.34 0.00 0.00 41.12 42.74 2kyi n ASP 21 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2kyi n ASN 22 N -1.70 1.10 -4.85 1.67 2.85 -1.26 -5.02 115.26 108.05 2kyi n ASN 22 Ca 0.00 -0.33 -0.36 0.00 -0.11 0.00 0.00 54.58 53.78 2kyi n ASN 22 Cb 0.11 0.87 -0.06 0.00 1.24 0.00 0.00 39.78 41.94 2kyi n ASN 22 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kyi s ARG 23 N -1.09 3.83 0.03 1.20 1.70 -1.26 -4.67 118.95 118.69 2kyi s ARG 23 Ca 0.00 0.29 0.08 0.00 -0.47 0.00 0.00 55.73 55.64 2kyi s ARG 23 Cb 0.00 -3.12 -0.03 0.00 -0.57 0.00 0.00 34.95 31.24 2kyi s ARG 23 CO 0.00 0.63 -0.25 -0.65 -1.08 0.00 0.00 175.30 173.96 2kyi s GLN 24 N -1.45 1.94 -0.38 3.89 -0.21 0.00 -4.92 119.66 118.53 2kyi s GLN 24 Ca 0.28 -1.04 -0.16 0.00 0.02 0.00 0.00 55.36 54.47 2kyi s GLN 24 Cb -0.15 -2.04 0.00 0.00 1.00 0.00 0.00 33.01 31.82 2kyi s GLN 24 CO 0.15 0.53 0.36 -0.06 -2.12 0.00 0.00 175.29 174.16 2kyi s PHE 25 N -0.78 3.20 -0.42 0.91 0.40 -1.26 -2.30 117.98 117.74 2kyi s PHE 25 Ca 0.12 -0.24 -0.15 0.00 -0.60 0.00 0.00 56.93 56.05 2kyi s PHE 25 Cb -0.10 -2.71 0.03 0.00 0.51 0.00 0.00 43.02 40.75 2kyi s PHE 25 CO 0.02 -0.54 0.32 -1.17 0.70 0.00 0.00 175.22 174.56 2kyi s LEU 26 N 1.98 5.16 -0.32 -0.37 2.96 0.86 -4.93 118.68 124.02 2kyi s LEU 26 Ca 0.10 -0.94 -0.06 0.00 -0.22 0.00 0.00 54.13 53.02 2kyi s LEU 26 Cb -0.17 -2.18 0.04 0.00 0.50 0.00 0.00 46.19 44.37 2kyi s LEU 26 CO 0.12 -0.49 0.08 -0.44 -1.32 0.00 0.00 176.35 174.30 2kyi s SER 27 N 1.81 5.20 -0.04 3.68 0.01 -1.26 -1.42 113.70 121.69 2kyi s SER 27 Ca 0.05 -1.09 0.04 0.00 1.31 0.00 0.00 55.95 56.27 2kyi s SER 27 Cb -0.20 -1.84 -0.00 0.00 0.21 0.00 0.00 66.02 64.19 2kyi s SER 27 CO 0.10 -0.29 -0.16 -0.22 0.41 0.00 0.00 173.24 173.07 2kyi s LEU 28 N 1.40 1.90 0.00 2.44 2.96 -0.35 -4.99 118.68 122.04 2kyi s LEU 28 Ca -0.01 -0.34 0.07 0.00 -0.22 0.00 0.00 54.13 53.63 2kyi s LEU 28 Cb -0.19 -0.93 0.10 0.00 0.50 0.00 0.00 46.19 45.68 2kyi s LEU 28 CO 0.02 0.14 0.80 0.35 -1.32 0.00 0.00 176.35 176.35 2kyi n THR 29 N 3.15 0.00 -2.53 3.68 -2.24 -1.26 -0.57 114.28 114.51 2kyi n THR 29 Ca -0.18 -1.71 -0.17 0.00 -2.27 0.00 0.00 64.05 59.72 2kyi n THR 29 Cb 0.53 -0.65 0.01 0.00 -2.10 0.00 0.00 70.33 68.12 2kyi n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kyi n GLY 30 N -1.76 -0.27 3.55 3.38 0.00 0.19 -4.85 105.19 105.44 2kyi n GLY 30 Ca 0.15 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.90 5.19 -0.04 1.61 1.01 -0.91 -1.75 120.40 122.62 2kyi s VAL 31 Ca 0.10 0.11 -0.24 0.00 0.00 0.00 0.00 61.98 61.95 2kyi s VAL 31 Cb -0.04 -3.78 -0.23 0.00 0.00 0.00 0.00 36.38 32.33 2kyi s VAL 31 CO 0.12 -0.03 1.06 0.28 0.00 0.00 0.00 175.10 176.53 2kyi h SER 32 N 8.42 0.24 -4.07 3.32 0.02 -1.13 -3.37 113.55 116.99 2kyi h SER 32 Ca -0.30 -0.74 0.10 0.00 -0.84 0.00 0.00 61.79 60.00 2kyi h SER 32 Cb 1.15 -0.07 -0.23 0.00 0.14 0.00 0.00 62.40 63.39 2kyi h SER 32 CO 0.67 0.95 0.58 -0.75 -1.14 0.00 0.00 176.83 177.14 2kyi s LYS 33 N -3.26 0.56 -0.24 3.45 2.20 -0.91 -5.01 119.74 116.53 2kyi s LYS 33 Ca -0.16 0.11 -0.27 0.00 -0.36 0.00 0.00 55.97 55.30 2kyi s LYS 33 Cb 0.01 0.26 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 2kyi s LYS 33 CO 0.74 -0.18 0.95 0.08 -0.36 0.00 0.00 175.35 176.59 2kyi s VAL 34 N -1.20 4.73 0.01 4.02 1.01 -1.26 -0.86 120.40 126.86 2kyi s VAL 34 Ca -0.01 1.80 -0.20 0.00 0.00 0.00 0.00 61.98 63.57 2kyi s VAL 34 Cb -0.01 -4.24 -0.20 0.00 0.00 0.00 0.00 36.38 31.94 2kyi s VAL 34 CO 0.00 -0.16 1.17 1.56 0.00 0.00 0.00 175.10 177.68 2kyi h GLN 35 N 7.60 0.37 -3.62 2.72 4.20 -0.85 -3.45 115.11 122.08 2kyi h GLN 35 Ca -0.21 -0.32 -0.35 0.00 0.06 0.00 0.00 58.65 57.84 2kyi h GLN 35 Cb 1.07 0.07 -0.35 0.00 0.30 0.00 0.00 27.48 28.57 2kyi h GLN 35 CO 0.94 0.96 -0.74 0.45 -0.67 0.00 0.00 178.83 179.77 2kyi s SER 36 N -6.48 0.54 -0.30 1.46 0.15 -1.23 -4.97 113.70 102.86 2kyi s SER 36 Ca -0.14 -0.00 0.03 0.00 0.70 0.00 0.00 55.95 56.54 2kyi s SER 36 Cb 0.04 -0.19 0.08 0.00 -1.71 0.00 0.00 66.02 64.24 2kyi s SER 36 CO 0.79 -0.13 -0.01 0.12 1.20 0.00 0.00 173.24 175.20 2kyi s PHE 37 N 1.27 3.42 0.05 3.44 5.36 -1.26 -1.35 117.98 128.91 2kyi s PHE 37 Ca -0.06 -2.64 0.05 0.00 -0.96 0.00 0.00 56.93 53.32 2kyi s PHE 37 Cb -0.13 -2.44 -0.02 0.00 -0.34 0.00 0.00 43.02 40.08 2kyi s PHE 37 CO -0.02 -0.91 -0.14 0.34 -1.46 0.00 0.00 175.22 173.03 2kyi s ASP 38 N 1.03 1.63 0.19 6.13 2.15 0.14 -5.01 116.67 122.93 2kyi s ASP 38 Ca 0.03 -0.52 0.07 0.00 0.43 0.00 0.00 52.55 52.56 2kyi s ASP 38 Cb -0.19 -0.08 0.39 0.00 -0.30 0.00 0.00 42.92 42.74 2kyi s ASP 38 CO -0.08 -0.02 1.07 -0.81 -0.17 0.00 0.00 175.17 175.16 2kyi n PRO 39 N 1.64 0.05 -0.18 4.34 -0.04 -1.26 -1.49 135.00 138.05 2kyi n PRO 39 Ca -0.19 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2kyi n PRO 39 Cb 0.54 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 2kyi n PRO 39 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2kyi n LYS 40 N -1.72 0.00 -3.65 0.54 2.85 -1.26 0.24 118.16 115.16 2kyi n LYS 40 Ca -0.00 -0.68 -0.05 0.00 -1.05 0.00 0.00 58.31 56.53 2kyi n LYS 40 Cb 0.28 -0.50 -0.07 0.00 -0.65 0.00 0.00 35.03 34.10 2kyi n LYS 40 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2kyi s GLU 41 N 0.00 0.47 -0.10 -1.58 -6.30 -0.56 -2.90 118.70 107.73 2kyi s GLU 41 Ca 0.00 1.25 -0.02 0.00 -2.50 0.00 0.00 54.97 53.71 2kyi s GLU 41 Cb 0.00 0.60 0.04 0.00 0.00 0.00 0.00 34.13 34.76 2kyi s GLU 41 CO 0.00 -0.22 0.00 0.42 0.02 0.00 0.00 175.26 175.48 2kyi s ILE 42 N 2.68 0.48 -0.44 -3.70 1.01 -0.42 0.27 121.20 121.08 2kyi s ILE 42 Ca -0.04 -0.08 -0.13 0.00 0.00 0.00 0.00 60.65 60.39 2kyi s ILE 42 Cb -0.12 -0.70 0.06 0.00 0.01 0.00 0.00 42.46 41.71 2kyi s ILE 42 CO -0.16 0.16 0.33 -0.76 0.00 0.00 0.00 174.94 174.51 2kyi s LEU 43 N 1.92 5.36 -0.43 2.97 1.43 -0.46 -0.26 118.68 129.22 2kyi s LEU 43 Ca 0.04 -1.28 -0.19 0.00 -1.03 0.00 0.00 54.13 51.66 2kyi s LEU 43 Cb -0.13 -2.12 0.02 0.00 0.03 0.00 0.00 46.19 43.99 2kyi s LEU 43 CO -0.06 -0.57 0.56 -0.76 0.23 0.00 0.00 176.35 175.75 2kyi s LEU 44 N 1.59 4.62 -0.57 1.79 1.43 0.09 -0.07 118.68 127.55 2kyi s LEU 44 Ca 0.04 -0.44 -0.28 0.00 -1.03 0.00 0.00 54.13 52.42 2kyi s LEU 44 Cb -0.23 -2.60 0.03 0.00 0.03 0.00 0.00 46.19 43.43 2kyi s LEU 44 CO 0.06 -0.69 1.15 -0.70 0.23 0.00 0.00 176.35 176.40 2kyi s GLU 45 N 2.54 3.49 0.46 1.70 -6.30 -0.04 0.19 118.70 120.73 2kyi s GLU 45 Ca 0.19 0.17 0.03 0.00 -2.50 0.00 0.00 54.97 52.85 2kyi s GLU 45 Cb -0.15 -4.02 0.03 0.00 0.00 0.00 0.00 34.13 29.99 2kyi s GLU 45 CO 0.17 -1.64 0.28 0.25 0.02 0.00 0.00 175.26 174.33 2kyi n THR 46 N 6.59 0.00 -0.26 -1.70 -2.24 0.62 -0.55 114.28 116.74 2kyi n THR 46 Ca 0.07 -1.87 -0.03 0.00 -2.27 0.00 0.00 64.05 59.96 2kyi n THR 46 Cb 0.49 -0.01 -0.00 0.00 -2.10 0.00 0.00 70.33 68.71 2kyi n THR 46 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2kyi n ILE 47 N -1.49 -0.38 -2.74 2.28 5.41 -0.72 -2.60 119.36 119.13 2kyi n ILE 47 Ca -0.05 1.54 0.01 0.00 1.00 0.00 0.00 62.75 65.26 2kyi n ILE 47 Cb 0.53 -1.99 0.04 0.00 -0.71 0.00 0.00 39.64 37.51 2kyi n ILE 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2kyi n GLN 48 N -4.91 1.24 0.00 0.38 10.64 -1.26 -5.09 117.38 118.38 2kyi n GLN 48 Ca 0.05 -3.07 0.00 0.00 -1.83 0.00 0.00 57.00 52.15 2kyi n GLN 48 Cb 0.23 -1.14 0.00 0.00 -0.86 0.00 0.00 30.24 28.47 2kyi n GLN 48 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2kyi n GLY 49 N -0.30 1.71 3.60 2.61 0.00 -1.07 -4.99 105.19 106.75 2kyi n GLY 49 Ca 0.07 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 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 4.56 -0.31 1.61 1.01 -1.26 -0.27 120.40 123.74 2kyi s VAL 50 Ca 0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.70 2kyi s VAL 50 Cb 0.00 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 2kyi s VAL 50 CO 0.00 0.47 0.44 -0.22 0.00 0.00 0.00 175.10 175.79 2kyi s LEU 51 N 0.35 4.24 -0.51 3.92 2.96 0.13 -4.10 118.68 125.66 2kyi s LEU 51 Ca 0.01 0.09 -0.20 0.00 -0.22 0.00 0.00 54.13 53.81 2kyi s LEU 51 Cb -0.13 -2.49 0.05 0.00 0.50 0.00 0.00 46.19 44.12 2kyi s LEU 51 CO 0.01 -0.33 0.70 -0.44 -1.32 0.00 0.00 176.35 174.96 2kyi s SER 52 N 1.69 6.26 -0.27 3.68 0.01 -0.19 -0.73 113.70 124.16 2kyi s SER 52 Ca 0.16 -0.71 -0.14 0.00 1.31 0.00 0.00 55.95 56.58 2kyi s SER 52 Cb -0.16 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 2kyi s SER 52 CO 0.11 -0.95 0.31 -0.63 0.41 0.00 0.00 173.24 172.49 2kyi s ILE 53 N 2.96 5.22 -0.05 1.44 1.01 0.65 -1.64 121.20 130.79 2kyi s ILE 53 Ca 0.20 0.44 0.05 0.00 0.00 0.00 0.00 60.65 61.34 2kyi s ILE 53 Cb -0.17 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 2kyi s ILE 53 CO 0.15 0.19 -0.21 -0.75 0.00 0.00 0.00 174.94 174.32 2kyi s LYS 54 N 1.93 2.07 0.00 2.79 2.20 0.14 -1.31 119.74 127.56 2kyi s LYS 54 Ca 0.12 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 2kyi s LYS 54 Cb -0.16 -1.80 0.00 0.00 -1.51 0.00 0.00 37.83 34.36 2kyi s LYS 54 CO 0.10 0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.83 2kyi n GLY 55 N 2.99 -0.70 3.02 5.54 0.00 -1.14 0.47 105.19 115.37 2kyi n GLY 55 Ca -0.17 -0.44 -0.15 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.74 0.51 -1.18 1.61 0.41 0.68 -4.47 118.70 115.52 2kyi s GLU 56 Ca 0.00 -0.52 -0.05 0.00 -0.41 0.00 0.00 54.97 54.00 2kyi s GLU 56 Cb 0.00 -0.39 0.01 0.00 -1.78 0.00 0.00 34.13 31.97 2kyi s GLU 56 CO 0.00 0.09 1.01 1.63 -0.49 0.00 0.00 175.26 177.50 2kyi n LYS 57 N 2.12 -6.77 -1.81 1.61 5.02 -0.57 -0.39 118.16 117.38 2kyi n LYS 57 Ca -0.18 0.76 -0.41 0.00 -2.02 0.00 0.00 58.31 56.46 2kyi n LYS 57 Cb 0.56 -5.58 -0.02 0.00 -0.02 0.00 0.00 35.03 29.97 2kyi n LYS 57 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kyi n LEU 58 N -4.29 5.43 -4.85 -0.35 4.32 0.14 -4.01 117.00 113.38 2kyi n LEU 58 Ca -0.11 -3.70 -0.29 0.00 -0.02 0.00 0.00 56.01 51.89 2kyi n LEU 58 Cb 0.60 -1.56 -0.03 0.00 -1.62 0.00 0.00 43.42 40.81 2kyi n LEU 58 CO 0.58 0.27 -0.07 -0.83 -1.22 0.00 0.00 177.39 176.12 2kyi s GLY 59 N 4.17 2.63 0.08 -0.72 0.00 -0.52 -4.50 107.32 108.46 2kyi s GLY 59 Ca 0.53 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 44.36 2kyi s GLY 59 CO 0.02 -2.04 0.00 1.39 0.00 0.00 0.00 173.10 172.47 2kyi n ILE 60 N -1.58 -6.64 0.00 0.90 -0.00 -1.26 -1.12 119.36 109.66 2kyi n ILE 60 Ca -0.09 1.37 0.00 0.00 -0.00 0.00 0.00 62.75 64.03 2kyi n ILE 60 Cb 0.65 -3.49 0.00 0.00 -0.00 0.00 0.00 39.64 36.80 2kyi n ILE 60 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 2kyi n LYS 61 N 0.76 0.00 -0.89 0.38 4.81 -1.24 -3.49 118.16 118.49 2kyi n LYS 61 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2kyi n LYS 61 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2kyi n LYS 61 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2kyi n HIS 62 N -0.82 -1.68 -0.27 5.64 -0.00 -1.26 -4.76 115.22 112.07 2kyi n HIS 62 Ca 0.00 0.97 -0.01 0.00 -0.00 0.00 0.00 57.72 58.68 2kyi n HIS 62 Cb 0.00 -2.46 0.12 0.00 -0.00 0.00 0.00 29.99 27.64 2kyi n HIS 62 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kyi h LEU 63 N 1.32 0.71-10.11 0.27 5.85 -2.02 -3.44 115.31 107.89 2kyi h LEU 63 Ca 0.00 0.02 -0.53 0.00 0.84 0.00 0.00 57.88 58.21 2kyi h LEU 63 Cb 0.00 -0.13 0.20 0.00 0.37 0.00 0.00 40.66 41.10 2kyi h LEU 63 CO 0.00 0.46 0.07 -0.90 -0.34 0.00 0.00 178.44 177.73 2kyi n ASP 64 N -4.69 0.05 -4.21 1.25 5.75 -1.26 -4.99 116.55 108.45 2kyi n ASP 64 Ca 0.10 0.48 -0.38 0.00 -0.01 0.00 0.00 54.79 54.99 2kyi n ASP 64 Cb 0.16 -1.42 -0.11 0.00 -1.03 0.00 0.00 41.12 38.72 2kyi n ASP 64 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2kyi s LEU 65 N -4.75 4.84 0.17 -2.12 2.96 -1.26 -4.98 118.68 113.54 2kyi s LEU 65 Ca 0.68 -1.57 -0.14 0.00 -0.22 0.00 0.00 54.13 52.88 2kyi s LEU 65 Cb -0.26 -1.87 0.13 0.00 0.50 0.00 0.00 46.19 44.69 2kyi s LEU 65 CO 0.57 -0.46 1.74 0.11 -1.32 0.00 0.00 176.35 176.99 2kyi h LYS 66 N 8.20 0.29 0.00 1.98 1.79 -1.94 -3.45 116.57 123.44 2kyi h LYS 66 Ca -0.20 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 2kyi h LYS 66 Cb 1.07 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 2kyi h LYS 66 CO 0.68 0.19 0.00 0.00 -1.08 0.00 0.00 179.45 179.24 2kyi n ALA 67 N -2.41 0.03 -2.72 3.86 0.00 -1.26 -5.04 120.51 112.96 2kyi n ALA 67 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.41 2kyi n ALA 67 Cb 0.18 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.47 -0.26 3.37 0.00 0.00 -1.26 -4.91 105.19 100.66 2kyi n GLY 68 Ca 0.00 0.33 -0.14 0.00 0.00 0.00 0.00 46.02 46.21 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 0.40 0.61 -0.07 1.61 0.74 -1.26 0.56 119.66 122.26 2kyi s GLN 69 Ca 0.27 0.53 0.04 0.00 0.05 0.00 0.00 55.36 56.25 2kyi s GLN 69 Cb 0.25 0.29 0.00 0.00 1.10 0.00 0.00 33.01 34.66 2kyi s GLN 69 CO -0.16 -0.10 -0.19 0.08 -0.55 0.00 0.00 175.29 174.37 2kyi s VAL 70 N -0.05 1.63 -0.25 1.34 1.01 0.26 -4.73 120.40 119.62 2kyi s VAL 70 Ca -0.03 -0.80 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 2kyi s VAL 70 Cb -0.03 -1.41 0.07 0.00 0.00 0.00 0.00 36.38 35.01 2kyi s VAL 70 CO 0.02 0.46 0.01 -0.70 0.00 0.00 0.00 175.10 174.89 2kyi s GLU 71 N 0.22 1.17 0.06 2.72 -6.30 -1.25 -1.21 118.70 114.11 2kyi s GLU 71 Ca -0.10 -0.92 0.05 0.00 -2.50 0.00 0.00 54.97 51.50 2kyi s GLU 71 Cb -0.14 -2.39 -0.03 0.00 0.00 0.00 0.00 34.13 31.57 2kyi s GLU 71 CO 0.05 -0.71 -0.15 0.54 0.02 0.00 0.00 175.26 175.00 2kyi s VAL 72 N 1.53 1.15 0.02 3.70 0.11 -0.51 -3.63 120.40 122.77 2kyi s VAL 72 Ca -0.00 -1.17 0.06 0.00 -2.93 0.00 0.00 61.98 57.94 2kyi s VAL 72 Cb -0.18 -1.07 -0.03 0.00 -1.53 0.00 0.00 36.38 33.57 2kyi s VAL 72 CO -0.11 -0.10 -0.16 -0.70 -3.33 0.00 0.00 175.10 170.70 2kyi s GLU 73 N -1.45 2.19 0.00 1.54 2.12 -0.27 -0.10 118.70 122.73 2kyi s GLU 73 Ca 0.00 -0.91 0.00 0.00 0.36 0.00 0.00 54.97 54.42 2kyi s GLU 73 Cb -0.09 -2.24 0.00 0.00 0.26 0.00 0.00 34.13 32.06 2kyi s GLU 73 CO 0.02 0.56 0.00 0.41 -0.54 0.00 0.00 175.26 175.71 2kyi n GLY 74 N 1.67 -2.00 3.07 -1.50 0.00 -0.97 -1.43 105.19 104.03 2kyi n GLY 74 Ca -0.16 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 2kyi n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kyi n LEU 75 N 0.00 6.21 -4.72 0.99 4.77 0.47 -0.82 117.00 123.91 2kyi n LEU 75 Ca 0.00 -4.95 -0.42 0.00 -0.03 0.00 0.00 56.01 50.61 2kyi n LEU 75 Cb 0.00 -1.40 -0.03 0.00 -2.33 0.00 0.00 43.42 39.66 2kyi n LEU 75 CO 0.00 1.45 0.72 0.27 -1.33 0.00 0.00 177.39 178.50 2kyi s ILE 76 N -1.22 4.53 -0.22 -0.08 -4.36 -1.26 -0.23 121.20 118.35 2kyi s ILE 76 Ca 0.35 1.91 -0.01 0.00 -0.26 0.00 0.00 60.65 62.64 2kyi s ILE 76 Cb 0.03 -4.22 -0.20 0.00 1.25 0.00 0.00 42.46 39.32 2kyi s ILE 76 CO 0.04 0.20 -0.05 0.47 0.24 0.00 0.00 174.94 175.84 2kyi n ASP 77 N 3.46 2.02 -3.87 4.36 8.00 0.18 -4.92 116.55 125.78 2kyi n ASP 77 Ca 0.05 -0.03 -0.16 0.00 0.71 0.00 0.00 54.79 55.36 2kyi n ASP 77 Cb 0.49 -0.55 -0.15 0.00 -0.02 0.00 0.00 41.12 40.89 2kyi n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kyi s ALA 78 N -2.53 0.33 -0.22 2.24 0.00 0.06 -5.01 121.76 116.64 2kyi s ALA 78 Ca -0.31 0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.68 2kyi s ALA 78 Cb 0.08 -0.22 0.04 0.00 0.00 0.00 0.00 23.12 23.03 2kyi s ALA 78 CO 0.65 -0.00 -0.13 -0.51 0.00 0.00 0.00 175.76 175.77 2kyi s LEU 79 N 0.54 2.74 -0.23 0.00 1.43 -1.26 -0.69 118.68 121.21 2kyi s LEU 79 Ca -0.05 -1.05 -0.00 0.00 -1.03 0.00 0.00 54.13 51.99 2kyi s LEU 79 Cb -0.09 -1.43 0.03 0.00 0.03 0.00 0.00 46.19 44.73 2kyi s LEU 79 CO -0.01 -0.13 -0.11 -0.69 0.23 0.00 0.00 176.35 175.65 2kyi s VAL 80 N 1.24 2.54 -0.08 -1.59 1.01 -0.65 -4.98 120.40 117.89 2kyi s VAL 80 Ca -0.03 -1.11 -0.04 0.00 0.00 0.00 0.00 61.98 60.80 2kyi s VAL 80 Cb -0.17 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 2kyi s VAL 80 CO -0.08 0.24 0.08 -0.47 0.00 0.00 0.00 175.10 174.88 2kyi s TYR 81 N 1.28 3.39 -0.41 5.22 6.14 -1.26 -1.02 117.35 130.68 2kyi s TYR 81 Ca -0.00 0.35 -0.32 0.00 0.64 0.00 0.00 57.07 57.73 2kyi s TYR 81 Cb -0.16 -1.85 -0.11 0.00 0.42 0.00 0.00 41.96 40.26 2kyi s TYR 81 CO -0.07 0.61 2.28 -2.30 0.64 0.00 0.00 175.55 176.71 2kyi n PRO 82 N 1.84 1.09 0.03 4.97 -0.02 -1.26 -4.53 135.00 137.12 2kyi n PRO 82 Ca -0.18 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2kyi n PRO 82 Cb 0.54 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2kyi n PRO 82 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2kyi n LEU 83 N 11.13 -0.14 0.00 2.45 7.94 -1.26 -5.07 117.00 132.06 2kyi n LEU 83 Ca 0.41 0.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.41 2kyi n LEU 83 Cb 0.29 0.23 0.00 0.00 0.53 0.00 0.00 43.42 44.47 2kyi n LEU 83 CO 0.75 -0.52 0.00 -0.62 -1.11 0.00 0.00 177.39 175.90 2kyi n GLU 84 N -2.66 0.00 0.00 1.96 4.71 -1.26 -4.84 120.64 118.55 2kyi n GLU 84 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2kyi n GLU 84 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 2kyi n GLU 84 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 2kyi n HIS 85 N 7.79 0.00 0.31 -0.32 -0.00 -1.26 -3.34 115.22 118.39 2kyi n HIS 85 Ca 0.00 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.25 2kyi n HIS 85 Cb 0.00 0.00 0.11 0.00 -0.12 0.00 0.00 29.99 29.98 2kyi n HIS 85 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kyi n HIS 86 N 0.00 0.20 -2.43 1.57 -0.00 -1.26 -4.95 115.22 108.35 2kyi n HIS 86 Ca 0.00 -0.17 -0.43 0.00 -0.00 0.00 0.00 57.72 57.12 2kyi n HIS 86 Cb 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 29.99 29.96 2kyi n HIS 86 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kyi s HIS 87 N -1.12 2.82 0.49 1.57 4.02 -1.21 -5.00 115.29 116.85 2kyi s HIS 87 Ca 0.21 0.98 -0.19 0.00 1.02 0.00 0.00 55.06 57.08 2kyi s HIS 87 Cb 0.13 -3.61 -0.09 0.00 -1.02 0.00 0.00 32.58 27.99 2kyi s HIS 87 CO 0.19 -1.66 1.00 -3.38 1.02 0.00 0.00 174.74 171.91 2kyi s HIS 88 N 3.76 3.20 0.53 1.40 -3.43 -1.26 -5.02 115.29 114.46 2kyi s HIS 88 Ca 0.55 1.56 -0.09 0.00 -0.80 0.00 0.00 55.06 56.27 2kyi s HIS 88 Cb -0.20 -2.92 0.13 0.00 -1.43 0.00 0.00 32.58 28.16 2kyi s HIS 88 CO 0.17 -0.52 0.44 -2.39 -2.00 0.00 0.00 174.74 170.44 2kyi n HIS 89 N -1.13 -3.26 0.64 0.38 1.44 -1.26 -5.18 115.22 106.85 2kyi n HIS 89 Ca 0.08 -0.40 0.08 0.00 -2.01 0.00 0.00 57.72 55.47 2kyi n HIS 89 Cb 0.53 -0.48 0.06 0.00 0.12 0.00 0.00 29.99 30.23 2kyi n HIS 89 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25