#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 -0.36 0.00 7.83 -1.08 -1.26 -5.02 116.67 116.78 2kyi s ASP 21 Ca 0.00 0.53 0.30 0.00 -0.52 0.00 0.00 52.55 52.86 2kyi s ASP 21 Cb 0.00 0.61 1.49 0.00 -1.46 0.00 0.00 42.92 43.56 2kyi s ASP 21 CO 0.00 -0.30 2.03 -3.20 0.52 0.00 0.00 175.17 174.22 2kyi n ASN 22 N 2.08 0.11 -4.65 -0.34 5.15 -1.26 -4.71 115.26 111.64 2kyi n ASN 22 Ca -0.17 -0.32 -0.43 0.00 -0.60 0.00 0.00 54.58 53.06 2kyi n ASN 22 Cb 0.57 -0.21 -0.02 0.00 -0.53 0.00 0.00 39.78 39.59 2kyi n ASN 22 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2kyi s ARG 23 N -2.50 4.10 0.08 1.20 0.52 -1.26 -4.56 118.95 116.53 2kyi s ARG 23 Ca 0.30 1.35 0.04 0.00 -0.52 0.00 0.00 55.73 56.90 2kyi s ARG 23 Cb 0.20 -3.78 -0.04 0.00 0.52 0.00 0.00 34.95 31.86 2kyi s ARG 23 CO 0.46 -0.87 0.03 -0.65 0.02 0.00 0.00 175.30 174.29 2kyi s GLN 24 N 3.70 2.69 -0.35 3.54 -0.21 0.44 -4.89 119.66 124.59 2kyi s GLN 24 Ca 0.51 -0.76 -0.15 0.00 0.02 0.00 0.00 55.36 54.98 2kyi s GLN 24 Cb -0.17 -2.62 -0.01 0.00 1.00 0.00 0.00 33.01 31.21 2kyi s GLN 24 CO 0.16 0.56 0.35 -0.06 -2.12 0.00 0.00 175.29 174.18 2kyi s PHE 25 N -1.33 3.21 -0.32 0.91 0.08 -1.26 -2.59 117.98 116.69 2kyi s PHE 25 Ca 0.27 -0.07 -0.06 0.00 0.12 0.00 0.00 56.93 57.18 2kyi s PHE 25 Cb -0.12 -2.66 0.03 0.00 -0.57 0.00 0.00 43.02 39.71 2kyi s PHE 25 CO 0.19 -0.44 0.08 -1.17 -0.10 0.00 0.00 175.22 173.78 2kyi s LEU 26 N 1.98 4.09 -0.24 -0.37 2.96 -0.28 -5.01 118.68 121.81 2kyi s LEU 26 Ca 0.11 -1.01 -0.04 0.00 -0.22 0.00 0.00 54.13 52.97 2kyi s LEU 26 Cb -0.17 -1.85 -0.00 0.00 0.50 0.00 0.00 46.19 44.67 2kyi s LEU 26 CO 0.12 -0.27 -0.01 -0.44 -1.32 0.00 0.00 176.35 174.42 2kyi s SER 27 N 1.42 4.52 -0.05 3.68 0.01 -1.26 -1.01 113.70 121.00 2kyi s SER 27 Ca -0.01 -0.47 0.04 0.00 1.31 0.00 0.00 55.95 56.83 2kyi s SER 27 Cb -0.19 -1.77 -0.00 0.00 0.21 0.00 0.00 66.02 64.27 2kyi s SER 27 CO 0.02 -0.06 -0.19 -0.22 0.41 0.00 0.00 173.24 173.20 2kyi s LEU 28 N 1.48 1.94 0.30 2.44 2.96 -0.28 -5.00 118.68 122.52 2kyi s LEU 28 Ca 0.05 -0.39 0.07 0.00 -0.22 0.00 0.00 54.13 53.64 2kyi s LEU 28 Cb -0.15 -1.07 -0.03 0.00 0.50 0.00 0.00 46.19 45.44 2kyi s LEU 28 CO -0.02 0.16 0.23 0.42 -1.32 0.00 0.00 176.35 175.83 2kyi s THR 29 N 0.07 3.91 0.00 3.68 -4.23 -1.26 -0.47 115.64 117.34 2kyi s THR 29 Ca -0.06 -1.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 2kyi s THR 29 Cb -0.13 -3.26 0.00 0.00 1.34 0.00 0.00 72.50 70.45 2kyi s THR 29 CO 0.03 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 2kyi n GLY 30 N -1.26 0.57 3.65 3.99 0.00 0.07 -4.93 105.19 107.28 2kyi n GLY 30 Ca -0.05 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 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 4.96 -0.13 1.61 1.01 -0.38 -2.78 120.40 122.68 2kyi s VAL 31 Ca 0.00 1.30 -0.16 0.00 0.00 0.00 0.00 61.98 63.12 2kyi s VAL 31 Cb 0.00 -4.00 -0.25 0.00 0.00 0.00 0.00 36.38 32.13 2kyi s VAL 31 CO 0.00 0.04 0.46 -1.28 0.00 0.00 0.00 175.10 174.33 2kyi h SER 32 N 7.61 0.28 -4.78 3.32 0.87 -1.06 -3.40 113.55 116.39 2kyi h SER 32 Ca -0.28 -0.80 -0.05 0.00 -1.23 0.00 0.00 61.79 59.42 2kyi h SER 32 Cb 1.13 -0.09 -0.19 0.00 -0.44 0.00 0.00 62.40 62.80 2kyi h SER 32 CO 0.80 1.59 0.18 -0.75 -0.53 0.00 0.00 176.83 178.13 2kyi s LYS 33 N -2.45 1.01 -0.24 2.24 2.47 -1.03 -5.04 119.74 116.71 2kyi s LYS 33 Ca -0.22 0.42 -0.17 0.00 -1.56 0.00 0.00 55.97 54.43 2kyi s LYS 33 Cb 0.05 0.48 -0.03 0.00 -1.46 0.00 0.00 37.83 36.86 2kyi s LYS 33 CO 0.72 -0.28 0.48 0.54 0.16 0.00 0.00 175.35 176.97 2kyi s VAL 34 N -0.86 5.11 -0.05 4.02 0.11 -1.26 -0.02 120.40 127.45 2kyi s VAL 34 Ca -0.09 0.83 -0.23 0.00 -2.93 0.00 0.00 61.98 59.57 2kyi s VAL 34 Cb -0.01 -3.80 -0.29 0.00 -1.53 0.00 0.00 36.38 30.75 2kyi s VAL 34 CO 0.08 0.14 0.91 1.56 -3.33 0.00 0.00 175.10 174.47 2kyi h GLN 35 N 7.79 0.26 -2.86 1.54 4.20 -1.26 -3.46 115.11 121.32 2kyi h GLN 35 Ca -0.32 -0.41 -0.17 0.00 0.06 0.00 0.00 58.65 57.81 2kyi h GLN 35 Cb 1.15 0.15 -0.29 0.00 0.30 0.00 0.00 27.48 28.78 2kyi h GLN 35 CO 0.71 1.17 -0.44 0.45 -0.67 0.00 0.00 178.83 180.05 2kyi s SER 36 N -6.79 -0.20 -0.34 1.46 0.15 -1.20 -5.01 113.70 101.77 2kyi s SER 36 Ca -0.14 0.66 -0.03 0.00 0.70 0.00 0.00 55.95 57.14 2kyi s SER 36 Cb 0.01 0.62 0.07 0.00 -1.71 0.00 0.00 66.02 65.00 2kyi s SER 36 CO 0.80 -0.19 0.09 0.12 1.20 0.00 0.00 173.24 175.26 2kyi s PHE 37 N 1.62 3.37 -0.01 3.44 2.19 -1.26 -0.72 117.98 126.61 2kyi s PHE 37 Ca -0.07 -1.98 0.04 0.00 0.33 0.00 0.00 56.93 55.25 2kyi s PHE 37 Cb -0.10 -2.52 -0.01 0.00 -1.31 0.00 0.00 43.02 39.08 2kyi s PHE 37 CO -0.10 -0.85 -0.13 0.34 1.83 0.00 0.00 175.22 176.31 2kyi s ASP 38 N 1.47 1.58 0.61 6.13 -1.08 -0.76 -5.01 116.67 119.61 2kyi s ASP 38 Ca -0.00 -0.24 0.28 0.00 -0.52 0.00 0.00 52.55 52.06 2kyi s ASP 38 Cb -0.21 -0.20 1.40 0.00 -1.46 0.00 0.00 42.92 42.45 2kyi s ASP 38 CO -0.01 0.16 1.81 -0.65 0.52 0.00 0.00 175.17 176.99 2kyi h PRO 39 N 5.86 0.00 -0.01 4.34 0.11 -1.94 0.40 132.00 140.76 2kyi h PRO 39 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2kyi h PRO 39 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2kyi h PRO 39 CO 0.49 0.00 -0.43 1.63 -0.21 0.00 0.00 178.00 179.48 2kyi n LYS 40 N -3.43 1.75 -3.22 1.05 5.02 -1.26 -2.34 118.16 115.73 2kyi n LYS 40 Ca 0.07 -0.60 0.04 0.00 -2.02 0.00 0.00 58.31 55.80 2kyi n LYS 40 Cb 0.70 -1.26 -0.02 0.00 -0.02 0.00 0.00 35.03 34.43 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 -2.04 0.31 -0.18 1.97 2.12 0.13 -1.15 118.70 119.87 2kyi s GLU 41 Ca 0.11 0.62 -0.02 0.00 0.36 0.00 0.00 54.97 56.04 2kyi s GLU 41 Cb 0.13 0.35 -0.01 0.00 0.26 0.00 0.00 34.13 34.86 2kyi s GLU 41 CO 0.46 -0.28 -0.08 0.42 -0.54 0.00 0.00 175.26 175.24 2kyi s ILE 42 N 2.81 3.24 -0.52 -3.70 1.01 0.11 -1.82 121.20 122.32 2kyi s ILE 42 Ca 0.04 -0.56 -0.16 0.00 0.00 0.00 0.00 60.65 59.96 2kyi s ILE 42 Cb -0.10 -2.42 0.10 0.00 0.01 0.00 0.00 42.46 40.05 2kyi s ILE 42 CO -0.15 0.47 0.50 -0.76 0.00 0.00 0.00 174.94 175.00 2kyi s LEU 43 N 0.94 5.85 -0.27 2.97 1.43 0.10 -1.20 118.68 128.50 2kyi s LEU 43 Ca -0.01 -1.55 -0.13 0.00 -1.03 0.00 0.00 54.13 51.40 2kyi s LEU 43 Cb -0.15 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 2kyi s LEU 43 CO -0.00 -0.83 0.29 -0.76 0.23 0.00 0.00 176.35 175.29 2kyi s LEU 44 N 1.80 4.03 -0.37 1.79 1.43 -0.75 -0.68 118.68 125.95 2kyi s LEU 44 Ca 0.05 0.17 -0.27 0.00 -1.03 0.00 0.00 54.13 53.05 2kyi s LEU 44 Cb -0.27 -2.29 0.02 0.00 0.03 0.00 0.00 46.19 43.68 2kyi s LEU 44 CO 0.05 -0.12 1.00 -0.70 0.23 0.00 0.00 176.35 176.81 2kyi s GLU 45 N 1.90 3.90 0.00 1.70 2.12 0.97 -0.74 118.70 128.55 2kyi s GLU 45 Ca 0.12 0.73 0.00 0.00 0.36 0.00 0.00 54.97 56.18 2kyi s GLU 45 Cb -0.16 -3.79 0.00 0.00 0.26 0.00 0.00 34.13 30.44 2kyi s GLU 45 CO 0.10 -0.98 0.00 -2.37 -0.54 0.00 0.00 175.26 171.47 2kyi n THR 46 N 6.05 0.00 -1.56 -1.70 5.66 0.13 -0.46 114.28 122.40 2kyi n THR 46 Ca 0.09 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.65 2kyi n THR 46 Cb 0.48 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.22 2kyi n THR 46 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 2kyi n ILE 47 N 0.00 0.25 -0.69 1.09 -5.35 -1.12 -2.41 119.36 111.14 2kyi n ILE 47 Ca 0.00 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 2kyi n ILE 47 Cb 0.00 -2.37 0.00 0.00 -1.74 0.00 0.00 39.64 35.53 2kyi n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2kyi n GLN 48 N 8.67 -0.13 -2.02 6.28 6.02 -1.26 -4.84 117.38 130.11 2kyi n GLN 48 Ca 0.34 0.03 -0.03 0.00 -0.01 0.00 0.00 57.00 57.33 2kyi n GLN 48 Cb 0.41 -3.92 0.01 0.00 1.02 0.00 0.00 30.24 27.76 2kyi n GLN 48 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kyi n GLY 49 N -1.84 1.52 3.16 1.08 0.00 -1.01 -5.17 105.19 102.93 2kyi n GLY 49 Ca 0.00 -1.08 -0.24 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.63 1.35 -0.17 1.61 1.01 -1.26 0.19 120.40 120.49 2kyi s VAL 50 Ca 0.06 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 2kyi s VAL 50 Cb -0.02 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 2kyi s VAL 50 CO 0.04 0.38 -0.05 -0.22 0.00 0.00 0.00 175.10 175.24 2kyi s LEU 51 N -0.42 3.04 -0.46 3.92 2.96 0.08 -4.18 118.68 123.62 2kyi s LEU 51 Ca 0.07 -0.25 -0.18 0.00 -0.22 0.00 0.00 54.13 53.54 2kyi s LEU 51 Cb -0.07 -1.74 0.04 0.00 0.50 0.00 0.00 46.19 44.92 2kyi s LEU 51 CO -0.01 0.10 0.50 -0.55 -1.32 0.00 0.00 176.35 175.08 2kyi s SER 52 N 0.76 6.20 -0.37 3.68 0.15 -0.27 -1.80 113.70 122.05 2kyi s SER 52 Ca -0.02 -0.84 -0.11 0.00 0.70 0.00 0.00 55.95 55.68 2kyi s SER 52 Cb -0.15 -2.24 0.03 0.00 -1.71 0.00 0.00 66.02 61.95 2kyi s SER 52 CO 0.02 -0.70 0.20 -0.63 1.20 0.00 0.00 173.24 173.32 2kyi s ILE 53 N 2.25 4.54 0.09 6.45 1.01 -0.34 -1.62 121.20 133.58 2kyi s ILE 53 Ca 0.12 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.97 2kyi s ILE 53 Cb -0.19 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 2kyi s ILE 53 CO 0.12 -0.21 0.05 -0.54 0.00 0.00 0.00 174.94 174.36 2kyi s LYS 54 N 1.55 2.74 0.00 2.79 1.02 -0.58 0.07 119.74 127.33 2kyi s LYS 54 Ca 0.02 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.26 2kyi s LYS 54 Cb -0.19 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.47 2kyi s LYS 54 CO 0.06 0.55 0.00 0.41 -0.92 0.00 0.00 175.35 175.46 2kyi n GLY 55 N 0.49 -0.61 3.31 -3.33 0.00 -0.30 0.44 105.19 105.18 2kyi n GLY 55 Ca -0.09 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.14 2.83 -0.98 1.61 0.41 0.13 -4.00 118.70 117.55 2kyi s GLU 56 Ca 0.00 -0.83 -0.11 0.00 -0.41 0.00 0.00 54.97 53.62 2kyi s GLU 56 Cb 0.00 -2.32 -0.01 0.00 -1.78 0.00 0.00 34.13 30.02 2kyi s GLU 56 CO 0.00 0.34 0.74 1.63 -0.49 0.00 0.00 175.26 177.47 2kyi n LYS 57 N 3.11 -1.34 -2.51 1.61 4.01 -0.99 -0.68 118.16 121.36 2kyi n LYS 57 Ca -0.18 0.78 -0.43 0.00 -0.51 0.00 0.00 58.31 57.97 2kyi n LYS 57 Cb 0.52 -4.17 0.00 0.00 -0.51 0.00 0.00 35.03 30.87 2kyi n LYS 57 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2kyi n LEU 58 N -3.26 6.18 0.00 -0.35 4.32 -1.03 -3.90 117.00 118.97 2kyi n LEU 58 Ca -0.12 -4.56 0.00 0.00 -0.02 0.00 0.00 56.01 51.32 2kyi n LEU 58 Cb 0.59 -1.53 0.00 0.00 -1.62 0.00 0.00 43.42 40.86 2kyi n LEU 58 CO 0.63 1.14 0.00 0.61 -1.22 0.00 0.00 177.39 178.55 2kyi n GLY 59 N 3.29 5.68 1.31 -0.72 0.00 -0.73 -4.80 105.19 109.22 2kyi n GLY 59 Ca 0.39 -1.59 -0.00 0.00 0.00 0.00 0.00 46.02 44.83 2kyi n GLY 59 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2kyi n ILE 60 N 0.00 -4.47 -2.88 -0.61 5.41 -1.26 -1.13 119.36 114.42 2kyi n ILE 60 Ca 0.00 0.67 -0.00 0.00 1.00 0.00 0.00 62.75 64.42 2kyi n ILE 60 Cb 0.00 -3.69 -0.00 0.00 -0.71 0.00 0.00 39.64 35.24 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 0.39 -2.42 -2.94 0.38 3.00 -1.26 -4.29 118.16 111.01 2kyi n LYS 61 Ca -0.00 2.12 0.03 0.00 -0.00 0.00 0.00 58.31 60.45 2kyi n LYS 61 Cb 0.01 -3.85 0.00 0.00 0.00 0.00 0.00 35.03 31.19 2kyi n LYS 61 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.40 174.02 2kyi s HIS 62 N -1.38 -0.52 0.00 5.64 -3.43 -1.26 -4.51 115.29 109.83 2kyi s HIS 62 Ca -0.01 0.17 0.00 0.00 -0.80 0.00 0.00 55.06 54.42 2kyi s HIS 62 Cb 0.00 0.09 0.00 0.00 -1.43 0.00 0.00 32.58 31.24 2kyi s HIS 62 CO 0.51 -0.33 0.28 1.47 -2.00 0.00 0.00 174.74 174.67 2kyi n LEU 63 N 4.28 0.00 0.00 5.38 -0.00 -1.26 -4.98 117.00 120.43 2kyi n LEU 63 Ca 0.07 -0.09 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 2kyi n LEU 63 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.03 2kyi n LEU 63 CO -0.12 0.10 0.00 0.47 -0.00 0.00 0.00 177.39 177.84 2kyi n ASP 64 N 0.00 0.00 -2.37 1.45 9.92 -1.26 -4.94 116.55 119.35 2kyi n ASP 64 Ca 0.00 0.32 -0.21 0.00 -0.53 0.00 0.00 54.79 54.37 2kyi n ASP 64 Cb 0.43 -0.37 -0.01 0.00 -0.64 0.00 0.00 41.12 40.53 2kyi n ASP 64 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2kyi n LEU 65 N -1.71 -1.95 0.09 0.64 7.94 -1.26 -4.88 117.00 115.87 2kyi n LEU 65 Ca 0.00 -0.01 -0.04 0.00 -1.11 0.00 0.00 56.01 54.85 2kyi n LEU 65 Cb 0.00 -2.95 -0.06 0.00 0.53 0.00 0.00 43.42 40.94 2kyi n LEU 65 CO 0.00 -0.24 0.26 0.07 -1.11 0.00 0.00 177.39 176.37 2kyi h LYS 66 N 0.00 0.00 0.00 1.96 2.10 -1.92 -3.32 116.57 115.39 2kyi h LYS 66 Ca -0.50 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.11 2kyi h LYS 66 Cb 1.37 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 32.60 2kyi h LYS 66 CO 0.59 0.83 -0.51 0.00 -2.00 0.00 0.00 179.45 178.36 2kyi n ALA 67 N -2.32 2.56 -1.02 0.07 0.00 -1.26 -4.94 120.51 113.60 2kyi n ALA 67 Ca 0.01 -2.30 -0.01 0.00 0.00 0.00 0.00 53.44 51.14 2kyi n ALA 67 Cb 0.86 -0.49 -0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.50 0.36 3.66 0.00 0.00 -1.25 -4.57 105.19 102.89 2kyi n GLY 68 Ca 0.10 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.95 4.17 -0.11 1.61 0.74 -1.26 -0.75 119.66 123.10 2kyi s GLN 69 Ca 0.00 0.33 0.01 0.00 0.05 0.00 0.00 55.36 55.75 2kyi s GLN 69 Cb 0.00 -3.56 0.02 0.00 1.10 0.00 0.00 33.01 30.56 2kyi s GLN 69 CO 0.00 -0.13 -0.13 0.08 -0.55 0.00 0.00 175.29 174.55 2kyi s VAL 70 N 1.60 1.40 -0.21 1.34 1.01 0.38 -4.09 120.40 121.83 2kyi s VAL 70 Ca 0.22 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 2kyi s VAL 70 Cb -0.15 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 2kyi s VAL 70 CO 0.09 0.43 -0.00 -1.61 0.00 0.00 0.00 175.10 174.01 2kyi s GLU 71 N 1.20 3.56 -0.07 2.72 2.02 -1.26 -1.13 118.70 125.74 2kyi s GLU 71 Ca -0.03 -0.54 0.04 0.00 0.02 0.00 0.00 54.97 54.46 2kyi s GLU 71 Cb -0.14 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 30.99 2kyi s GLU 71 CO -0.04 -0.07 -0.19 0.14 0.02 0.00 0.00 175.26 175.11 2kyi s VAL 72 N 1.22 1.65 -0.16 2.63 -7.23 -0.18 -4.46 120.40 113.87 2kyi s VAL 72 Ca 0.03 -0.80 -0.01 0.00 -1.81 0.00 0.00 61.98 59.39 2kyi s VAL 72 Cb -0.15 -1.43 -0.01 0.00 0.56 0.00 0.00 36.38 35.36 2kyi s VAL 72 CO 0.01 0.47 -0.13 -0.70 -0.31 0.00 0.00 175.10 174.44 2kyi s GLU 73 N 0.28 3.29 0.00 4.82 2.12 -0.28 -1.13 118.70 127.79 2kyi s GLU 73 Ca -0.12 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 54.50 2kyi s GLU 73 Cb -0.15 -2.69 0.00 0.00 0.26 0.00 0.00 34.13 31.55 2kyi s GLU 73 CO 0.05 0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.21 2kyi n GLY 74 N 4.05 -1.25 3.23 -1.50 0.00 -1.07 -1.77 105.19 106.88 2kyi n GLY 74 Ca -0.19 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 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 6.10 0.40 0.99 1.02 0.14 -0.42 118.68 126.91 2kyi s LEU 75 Ca 0.00 -2.77 -0.26 0.00 0.02 0.00 0.00 54.13 51.12 2kyi s LEU 75 Cb 0.00 -2.06 -0.09 0.00 0.02 0.00 0.00 46.19 44.07 2kyi s LEU 75 CO 0.00 -0.48 1.27 0.27 0.02 0.00 0.00 176.35 177.43 2kyi s ILE 76 N 0.05 2.73 -0.26 -0.59 -4.36 -1.26 0.19 121.20 117.70 2kyi s ILE 76 Ca 0.18 0.65 -0.12 0.00 -0.26 0.00 0.00 60.65 61.10 2kyi s ILE 76 Cb -0.15 -3.38 -0.12 0.00 1.25 0.00 0.00 42.46 40.06 2kyi s ILE 76 CO -0.06 0.09 -0.33 -0.67 0.24 0.00 0.00 174.94 174.21 2kyi n ASP 77 N 0.16 1.87 -3.57 4.36 2.03 0.17 -4.84 116.55 116.73 2kyi n ASP 77 Ca 0.04 0.27 -0.16 0.00 0.52 0.00 0.00 54.79 55.46 2kyi n ASP 77 Cb 0.44 -0.73 -0.06 0.00 -0.72 0.00 0.00 41.12 40.04 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 -2.48 -1.79 -0.20 -1.67 0.00 -1.03 -4.98 121.76 109.60 2kyi s ALA 78 Ca -0.36 1.61 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 2kyi s ALA 78 Cb 0.14 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.75 2kyi s ALA 78 CO 0.47 -0.35 -0.12 -0.51 0.00 0.00 0.00 175.76 175.25 2kyi s LEU 79 N -0.58 2.55 -0.15 0.00 1.43 -1.26 -1.53 118.68 119.13 2kyi s LEU 79 Ca -0.06 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 2kyi s LEU 79 Cb -0.02 -1.60 0.03 0.00 0.03 0.00 0.00 46.19 44.63 2kyi s LEU 79 CO 0.06 -0.02 -0.10 -0.69 0.23 0.00 0.00 176.35 175.82 2kyi s VAL 80 N 1.37 1.38 -0.31 -1.59 1.01 -0.64 -5.02 120.40 116.60 2kyi s VAL 80 Ca 0.05 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 2kyi s VAL 80 Cb -0.14 -1.38 0.05 0.00 0.00 0.00 0.00 36.38 34.91 2kyi s VAL 80 CO -0.08 0.33 0.03 -0.47 0.00 0.00 0.00 175.10 174.91 2kyi s TYR 81 N 1.55 3.27 -0.47 5.22 6.14 -1.26 -1.12 117.35 130.68 2kyi s TYR 81 Ca 0.03 -1.80 -0.28 0.00 0.64 0.00 0.00 57.07 55.67 2kyi s TYR 81 Cb -0.14 -2.18 -0.00 0.00 0.42 0.00 0.00 41.96 40.06 2kyi s TYR 81 CO -0.09 -0.79 1.59 -2.14 0.64 0.00 0.00 175.55 174.76 2kyi s PRO 82 N 1.28 3.27 0.00 4.97 0.02 -1.26 -4.76 135.00 138.52 2kyi s PRO 82 Ca -0.04 0.88 0.00 0.00 0.02 0.00 0.00 61.00 61.86 2kyi s PRO 82 Cb -0.20 -4.16 0.00 0.00 0.02 0.00 0.00 34.50 30.16 2kyi s PRO 82 CO -0.00 -1.95 0.00 1.47 -0.33 0.00 0.00 177.00 176.19 2kyi n LEU 83 N 10.09 0.00 -4.65 -5.54 -0.00 -1.26 -4.80 117.00 110.85 2kyi n LEU 83 Ca 0.18 -0.40 -0.49 0.00 -0.00 0.00 0.00 56.01 55.29 2kyi n LEU 83 Cb 0.49 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.86 2kyi n LEU 83 CO 0.70 0.00 1.14 -0.62 -0.00 0.00 0.00 177.39 178.61 2kyi n GLU 84 N -0.99 1.74 -3.25 1.47 -0.58 -1.26 -4.94 120.64 112.82 2kyi n GLU 84 Ca 0.00 0.63 -0.34 0.00 -0.42 0.00 0.00 57.16 57.03 2kyi n GLU 84 Cb 0.00 -2.36 -0.06 0.00 -0.57 0.00 0.00 31.44 28.45 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 1.36 3.52 -1.07 -0.32 3.76 -1.26 -5.00 115.29 116.27 2kyi s HIS 85 Ca 0.84 1.14 -0.15 0.00 -0.15 0.00 0.00 55.06 56.74 2kyi s HIS 85 Cb -0.80 -2.45 0.18 0.00 1.11 0.00 0.00 32.58 30.61 2kyi s HIS 85 CO 0.45 0.29 1.23 -3.38 -0.85 0.00 0.00 174.74 172.48 2kyi s HIS 86 N -1.69 3.50 -0.13 1.40 -3.43 -1.26 -4.46 115.29 109.22 2kyi s HIS 86 Ca 0.45 -1.95 -0.01 0.00 -0.80 0.00 0.00 55.06 52.75 2kyi s HIS 86 Cb -0.13 -4.20 -0.08 0.00 -1.43 0.00 0.00 32.58 26.74 2kyi s HIS 86 CO 0.20 -1.33 -0.13 0.72 -2.00 0.00 0.00 174.74 172.19 2kyi n HIS 87 N 5.41 0.00 -4.10 0.38 8.25 -1.26 -5.00 115.22 118.90 2kyi n HIS 87 Ca 0.29 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.57 2kyi n HIS 87 Cb 0.45 -0.50 -0.16 0.00 1.12 0.00 0.00 29.99 30.90 2kyi n HIS 87 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kyi s HIS 88 N -2.26 0.57 -0.62 4.41 3.76 -1.26 -5.10 115.29 114.78 2kyi s HIS 88 Ca -0.18 -0.12 -0.21 0.00 -0.15 0.00 0.00 55.06 54.39 2kyi s HIS 88 Cb 0.05 -0.52 0.08 0.00 1.11 0.00 0.00 32.58 33.30 2kyi s HIS 88 CO 0.29 -0.14 0.86 -1.58 -0.85 0.00 0.00 174.74 173.32 2kyi s HIS 89 N 0.74 2.81 -0.97 1.40 2.46 -1.26 -5.02 115.29 115.45 2kyi s HIS 89 Ca -0.09 -0.67 0.08 0.00 0.47 0.00 0.00 55.06 54.85 2kyi s HIS 89 Cb -0.12 -4.15 0.06 0.00 -0.13 0.00 0.00 32.58 28.24 2kyi s HIS 89 CO -0.00 -1.48 0.75 -2.39 -2.47 0.00 0.00 174.74 169.14