#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 -0.80 -0.17 7.83 -4.77 -1.26 -5.06 116.67 112.44 2kyi s ASP 21 Ca 0.00 1.32 0.02 0.00 -3.30 0.00 0.00 52.55 50.59 2kyi s ASP 21 Cb 0.00 1.50 -0.12 0.00 -1.09 0.00 0.00 42.92 43.22 2kyi s ASP 21 CO 0.00 -0.22 -0.14 0.59 0.70 0.00 0.00 175.17 176.10 2kyi n ASN 22 N 4.79 2.61 -4.79 2.11 4.13 -1.26 -4.98 115.26 117.88 2kyi n ASN 22 Ca -0.17 -0.09 -0.39 0.00 1.68 0.00 0.00 54.58 55.62 2kyi n ASN 22 Cb 0.54 -0.20 -0.06 0.00 -1.54 0.00 0.00 39.78 38.52 2kyi n ASN 22 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kyi s ARG 23 N -2.34 4.27 0.11 3.52 1.70 -1.26 -4.74 118.95 120.21 2kyi s ARG 23 Ca -0.22 0.76 0.10 0.00 -0.47 0.00 0.00 55.73 55.91 2kyi s ARG 23 Cb 0.06 -3.28 -0.04 0.00 -0.57 0.00 0.00 34.95 31.12 2kyi s ARG 23 CO 0.40 0.52 -0.26 -1.14 -1.08 0.00 0.00 175.30 173.74 2kyi s GLN 24 N -0.71 1.43 -0.19 3.89 0.74 0.57 -4.84 119.66 120.55 2kyi s GLN 24 Ca 0.30 -1.29 -0.12 0.00 0.05 0.00 0.00 55.36 54.30 2kyi s GLN 24 Cb -0.19 -1.86 -0.05 0.00 1.10 0.00 0.00 33.01 32.01 2kyi s GLN 24 CO 0.19 0.45 0.24 -0.06 -0.55 0.00 0.00 175.29 175.55 2kyi s PHE 25 N -1.03 3.40 -0.24 1.67 0.40 -1.26 -1.62 117.98 119.31 2kyi s PHE 25 Ca 0.13 0.45 -0.01 0.00 -0.60 0.00 0.00 56.93 56.89 2kyi s PHE 25 Cb -0.10 -2.31 0.02 0.00 0.51 0.00 0.00 43.02 41.15 2kyi s PHE 25 CO 0.05 0.17 -0.08 -1.17 0.70 0.00 0.00 175.22 174.90 2kyi s LEU 26 N 0.71 3.07 -0.19 -0.37 2.96 0.59 -4.99 118.68 120.46 2kyi s LEU 26 Ca 0.13 -0.84 -0.02 0.00 -0.22 0.00 0.00 54.13 53.18 2kyi s LEU 26 Cb -0.13 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 2kyi s LEU 26 CO 0.03 -0.11 -0.09 -0.55 -1.32 0.00 0.00 176.35 174.31 2kyi s SER 27 N 1.32 4.05 0.01 3.68 0.15 -1.26 -1.48 113.70 120.16 2kyi s SER 27 Ca 0.01 -0.42 0.04 0.00 0.70 0.00 0.00 55.95 56.28 2kyi s SER 27 Cb -0.16 -1.67 -0.01 0.00 -1.71 0.00 0.00 66.02 62.47 2kyi s SER 27 CO -0.05 0.03 -0.11 -0.22 1.20 0.00 0.00 173.24 174.08 2kyi s LEU 28 N 1.19 2.08 0.12 3.45 2.96 -0.09 -5.01 118.68 123.38 2kyi s LEU 28 Ca 0.02 -0.29 0.08 0.00 -0.22 0.00 0.00 54.13 53.72 2kyi s LEU 28 Cb -0.14 -0.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.97 2kyi s LEU 28 CO -0.03 0.08 -0.11 0.42 -1.32 0.00 0.00 176.35 175.39 2kyi s THR 29 N -0.49 3.25 0.00 3.68 -4.23 -1.26 -1.62 115.64 114.97 2kyi s THR 29 Ca 0.02 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 2kyi s THR 29 Cb -0.05 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.25 2kyi s THR 29 CO 0.00 0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 2kyi n GLY 30 N 0.59 0.98 3.69 3.99 0.00 0.31 -4.97 105.19 109.77 2kyi n GLY 30 Ca -0.13 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.54 5.35 -0.09 1.61 1.01 0.29 -2.85 120.40 123.18 2kyi s VAL 31 Ca 0.00 0.28 -0.25 0.00 0.00 0.00 0.00 61.98 62.01 2kyi s VAL 31 Cb 0.00 -3.53 -0.21 0.00 0.00 0.00 0.00 36.38 32.64 2kyi s VAL 31 CO 0.00 0.37 0.90 -1.28 0.00 0.00 0.00 175.10 175.08 2kyi h SER 32 N 7.19 -0.04 -5.65 3.32 0.87 -0.09 -3.39 113.55 115.77 2kyi h SER 32 Ca -0.39 -0.66 0.28 0.00 -1.23 0.00 0.00 61.79 59.79 2kyi h SER 32 Cb 1.16 0.01 -0.10 0.00 -0.44 0.00 0.00 62.40 63.03 2kyi h SER 32 CO 0.70 0.69 0.73 -1.59 -0.53 0.00 0.00 176.83 176.84 2kyi s LYS 33 N -3.03 0.65 -0.31 2.24 -2.85 -1.04 -5.00 119.74 110.40 2kyi s LYS 33 Ca -0.16 -0.37 -0.11 0.00 -1.00 0.00 0.00 55.97 54.33 2kyi s LYS 33 Cb -0.01 0.22 -0.03 0.00 -2.06 0.00 0.00 37.83 35.95 2kyi s LYS 33 CO 0.60 -0.30 0.19 0.54 0.10 0.00 0.00 175.35 176.49 2kyi s VAL 34 N -2.62 5.06 -0.05 1.79 0.11 -1.26 -0.18 120.40 123.26 2kyi s VAL 34 Ca 0.15 -0.15 -0.14 0.00 -2.93 0.00 0.00 61.98 58.91 2kyi s VAL 34 Cb 0.03 -3.52 -0.08 0.00 -1.53 0.00 0.00 36.38 31.27 2kyi s VAL 34 CO -0.02 0.11 0.57 1.56 -3.33 0.00 0.00 175.10 174.00 2kyi h GLN 35 N 8.40 -0.41 -4.50 1.54 4.20 -1.45 -3.44 115.11 119.45 2kyi h GLN 35 Ca -0.33 0.03 -0.59 0.00 0.06 0.00 0.00 58.65 57.82 2kyi h GLN 35 Cb 1.17 0.09 -0.37 0.00 0.30 0.00 0.00 27.48 28.67 2kyi h GLN 35 CO 0.60 -0.22 -0.82 -1.12 -0.67 0.00 0.00 178.83 176.61 2kyi s SER 36 N -5.09 2.88 -0.40 1.46 0.01 -1.21 -5.01 113.70 106.34 2kyi s SER 36 Ca -0.08 -0.62 -0.09 0.00 1.31 0.00 0.00 55.95 56.47 2kyi s SER 36 Cb 0.01 -1.11 0.07 0.00 0.21 0.00 0.00 66.02 65.19 2kyi s SER 36 CO 0.24 -0.11 0.22 0.12 0.41 0.00 0.00 173.24 174.12 2kyi s PHE 37 N 1.51 3.32 -0.01 2.43 5.36 -1.26 -0.31 117.98 129.02 2kyi s PHE 37 Ca 0.02 -1.47 0.04 0.00 -0.96 0.00 0.00 56.93 54.56 2kyi s PHE 37 Cb -0.14 -2.78 -0.01 0.00 -0.34 0.00 0.00 43.02 39.75 2kyi s PHE 37 CO -0.09 -0.81 -0.12 0.34 -1.46 0.00 0.00 175.22 173.08 2kyi s ASP 38 N 1.91 1.47 0.00 6.13 2.15 -0.48 -4.99 116.67 122.86 2kyi s ASP 38 Ca 0.02 -0.23 0.01 0.00 0.43 0.00 0.00 52.55 52.79 2kyi s ASP 38 Cb -0.22 -0.18 0.08 0.00 -0.30 0.00 0.00 42.92 42.31 2kyi s ASP 38 CO 0.03 0.15 0.67 -0.81 -0.17 0.00 0.00 175.17 175.03 2kyi n PRO 39 N 2.80 0.04 0.00 4.34 -0.04 -1.26 -0.90 135.00 139.97 2kyi n PRO 39 Ca -0.14 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2kyi n PRO 39 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2kyi n PRO 39 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2kyi n LYS 40 N -1.09 -0.09 -3.15 0.54 5.02 -1.26 0.19 118.16 118.32 2kyi n LYS 40 Ca 0.01 -0.34 0.04 0.00 -2.02 0.00 0.00 58.31 56.00 2kyi n LYS 40 Cb 0.01 -0.70 -0.00 0.00 -0.02 0.00 0.00 35.03 34.31 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 -0.08 0.50 -0.27 1.97 2.12 -0.08 -2.20 118.70 120.67 2kyi s GLU 41 Ca 0.00 0.60 -0.07 0.00 0.36 0.00 0.00 54.97 55.86 2kyi s GLU 41 Cb 0.00 0.30 -0.01 0.00 0.26 0.00 0.00 34.13 34.68 2kyi s GLU 41 CO 0.00 -0.84 0.07 0.42 -0.54 0.00 0.00 175.26 174.38 2kyi s ILE 42 N 2.86 4.14 -0.54 -3.70 1.01 0.15 -1.38 121.20 123.73 2kyi s ILE 42 Ca 0.14 -0.40 -0.15 0.00 0.00 0.00 0.00 60.65 60.25 2kyi s ILE 42 Cb -0.10 -3.01 0.13 0.00 0.01 0.00 0.00 42.46 39.49 2kyi s ILE 42 CO -0.24 0.23 0.48 -0.76 0.00 0.00 0.00 174.94 174.66 2kyi s LEU 43 N 1.56 6.12 -0.20 2.97 1.43 0.58 -0.82 118.68 130.33 2kyi s LEU 43 Ca 0.05 -1.86 -0.15 0.00 -1.03 0.00 0.00 54.13 51.14 2kyi s LEU 43 Cb -0.16 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 2kyi s LEU 43 CO 0.03 -0.81 0.36 -0.76 0.23 0.00 0.00 176.35 175.40 2kyi s LEU 44 N 1.48 4.16 -0.33 1.79 1.43 -0.40 -1.03 118.68 125.77 2kyi s LEU 44 Ca 0.04 0.47 -0.22 0.00 -1.03 0.00 0.00 54.13 53.39 2kyi s LEU 44 Cb -0.28 -2.46 -0.00 0.00 0.03 0.00 0.00 46.19 43.48 2kyi s LEU 44 CO 0.02 -0.05 0.70 -0.70 0.23 0.00 0.00 176.35 176.55 2kyi s GLU 45 N 1.23 3.83 0.14 1.70 2.12 0.75 0.03 118.70 128.50 2kyi s GLU 45 Ca 0.17 0.31 0.01 0.00 0.36 0.00 0.00 54.97 55.82 2kyi s GLU 45 Cb -0.14 -3.76 0.01 0.00 0.26 0.00 0.00 34.13 30.49 2kyi s GLU 45 CO 0.07 -0.69 0.05 -2.37 -0.54 0.00 0.00 175.26 171.79 2kyi n THR 46 N 5.55 0.00 -0.26 -1.70 5.66 0.98 0.63 114.28 125.14 2kyi n THR 46 Ca 0.01 -0.62 -0.06 0.00 -3.05 0.00 0.00 64.05 60.34 2kyi n THR 46 Cb 0.48 -0.12 -0.05 0.00 -1.55 0.00 0.00 70.33 69.09 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 -0.59 -0.41 -2.21 1.09 5.41 -1.13 -2.50 119.36 119.02 2kyi n ILE 47 Ca -0.03 1.51 0.02 0.00 1.00 0.00 0.00 62.75 65.25 2kyi n ILE 47 Cb 0.17 -1.89 0.02 0.00 -0.71 0.00 0.00 39.64 37.23 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 -4.81 0.05 -3.85 0.38 10.64 -1.26 -5.05 117.38 113.49 2kyi n GLN 48 Ca 0.02 -1.53 -0.09 0.00 -1.83 0.00 0.00 57.00 53.57 2kyi n GLN 48 Cb 0.18 -0.31 0.01 0.00 -0.86 0.00 0.00 30.24 29.26 2kyi n GLN 48 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 2kyi s GLY 49 N -1.53 0.46 -0.10 2.61 0.00 -1.04 -5.01 107.32 102.71 2kyi s GLY 49 Ca 0.17 -0.80 0.02 0.00 0.00 0.00 0.00 44.72 44.11 2kyi s GLY 49 CO -0.08 -0.38 -0.16 0.14 0.00 0.00 0.00 173.10 172.62 2kyi s VAL 50 N -2.55 1.54 -0.27 1.40 1.01 -1.26 -0.01 120.40 120.26 2kyi s VAL 50 Ca 0.17 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.32 2kyi s VAL 50 Cb -0.05 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2kyi s VAL 50 CO 0.12 0.45 0.35 -0.22 0.00 0.00 0.00 175.10 175.79 2kyi s LEU 51 N 0.82 4.05 -0.52 3.92 2.96 0.10 -4.37 118.68 125.64 2kyi s LEU 51 Ca -0.10 0.23 -0.18 0.00 -0.22 0.00 0.00 54.13 53.86 2kyi s LEU 51 Cb -0.16 -2.38 0.07 0.00 0.50 0.00 0.00 46.19 44.23 2kyi s LEU 51 CO 0.01 -0.17 0.59 -0.44 -1.32 0.00 0.00 176.35 175.02 2kyi s SER 52 N 1.66 6.20 -0.31 3.68 0.01 0.84 -1.28 113.70 124.50 2kyi s SER 52 Ca 0.14 -1.16 -0.11 0.00 1.31 0.00 0.00 55.95 56.13 2kyi s SER 52 Cb -0.16 -2.27 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 2kyi s SER 52 CO 0.10 -0.88 0.20 -0.63 0.41 0.00 0.00 173.24 172.44 2kyi s ILE 53 N 2.38 5.10 0.12 1.44 1.01 0.00 -0.46 121.20 130.79 2kyi s ILE 53 Ca 0.11 -0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.68 2kyi s ILE 53 Cb -0.22 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 2kyi s ILE 53 CO 0.09 0.10 -0.16 -0.54 0.00 0.00 0.00 174.94 174.43 2kyi s LYS 54 N 1.71 1.05 0.00 2.79 1.02 -0.71 0.31 119.74 125.90 2kyi s LYS 54 Ca 0.06 -1.21 0.00 0.00 0.02 0.00 0.00 55.97 54.84 2kyi s LYS 54 Cb -0.17 -1.04 0.00 0.00 -0.52 0.00 0.00 37.83 36.11 2kyi s LYS 54 CO 0.09 0.21 0.00 0.41 -0.92 0.00 0.00 175.35 175.15 2kyi n GLY 55 N 0.68 -0.41 3.32 -3.33 0.00 -0.94 0.30 105.19 104.82 2kyi n GLY 55 Ca -0.16 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.00 2.67 -1.25 1.61 0.41 0.85 -4.40 118.70 116.60 2kyi s GLU 56 Ca 0.00 -0.84 -0.04 0.00 -0.41 0.00 0.00 54.97 53.69 2kyi s GLU 56 Cb 0.00 -2.27 0.00 0.00 -1.78 0.00 0.00 34.13 30.08 2kyi s GLU 56 CO 0.00 0.40 1.06 1.63 -0.49 0.00 0.00 175.26 177.86 2kyi n LYS 57 N 2.93 -7.10 -1.66 1.61 5.02 -0.98 0.43 118.16 118.41 2kyi n LYS 57 Ca -0.17 0.83 -0.41 0.00 -2.02 0.00 0.00 58.31 56.54 2kyi n LYS 57 Cb 0.52 -5.83 -0.03 0.00 -0.02 0.00 0.00 35.03 29.67 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 -4.44 4.90 0.00 -0.35 4.32 0.13 -3.87 117.00 117.68 2kyi n LEU 58 Ca -0.16 -3.46 0.00 0.00 -0.02 0.00 0.00 56.01 52.37 2kyi n LEU 58 Cb 0.62 -1.46 0.00 0.00 -1.62 0.00 0.00 43.42 40.96 2kyi n LEU 58 CO 0.62 -0.07 0.00 0.61 -1.22 0.00 0.00 177.39 177.33 2kyi n GLY 59 N 4.71 1.13 1.86 -0.72 0.00 -0.04 -4.39 105.19 107.73 2kyi n GLY 59 Ca 0.50 -2.00 -0.01 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.08 -4.57 -3.26 -0.61 2.08 -1.26 -2.63 119.36 108.03 2kyi n ILE 60 Ca 0.00 0.33 -0.44 0.00 0.56 0.00 0.00 62.75 63.20 2kyi n ILE 60 Cb 0.00 -4.87 -0.00 0.00 -0.75 0.00 0.00 39.64 34.02 2kyi n ILE 60 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 2kyi n LYS 61 N -0.24 3.76 -3.53 0.38 2.85 -1.26 -4.70 118.16 115.42 2kyi n LYS 61 Ca 0.02 -4.49 -0.39 0.00 -1.05 0.00 0.00 58.31 52.40 2kyi n LYS 61 Cb 0.08 -2.53 -0.04 0.00 -0.65 0.00 0.00 35.03 31.89 2kyi n LYS 61 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2kyi s HIS 62 N -1.74 4.03 -1.02 5.58 2.46 -1.26 -4.99 115.29 118.35 2kyi s HIS 62 Ca 0.31 -2.90 -0.13 0.00 0.47 0.00 0.00 55.06 52.81 2kyi s HIS 62 Cb -0.05 -3.46 0.21 0.00 -0.13 0.00 0.00 32.58 29.14 2kyi s HIS 62 CO -0.03 -0.82 1.09 -0.51 -2.47 0.00 0.00 174.74 172.00 2kyi s LEU 63 N -1.30 5.95 -0.16 8.88 2.01 -1.26 -4.63 118.68 128.16 2kyi s LEU 63 Ca 0.28 -2.93 -0.01 0.00 0.01 0.00 0.00 54.13 51.48 2kyi s LEU 63 Cb -0.08 -2.29 -0.10 0.00 0.01 0.00 0.00 46.19 43.73 2kyi s LEU 63 CO -0.11 -0.61 -0.16 -0.90 1.01 0.00 0.00 176.35 175.59 2kyi n ASP 64 N 4.39 2.47 -3.02 2.29 5.75 -1.26 -5.08 116.55 122.09 2kyi n ASP 64 Ca 0.24 -0.03 -0.07 0.00 -0.01 0.00 0.00 54.79 54.92 2kyi n ASP 64 Cb 0.44 -0.30 0.01 0.00 -1.03 0.00 0.00 41.12 40.24 2kyi n ASP 64 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2kyi n LEU 65 N -3.12 -6.91 0.00 -2.12 4.77 -1.26 -5.00 117.00 103.37 2kyi n LEU 65 Ca -0.29 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2kyi n LEU 65 Cb 0.79 -3.19 0.00 0.00 -2.33 0.00 0.00 43.42 38.68 2kyi n LEU 65 CO 0.13 -1.60 0.30 0.29 -1.33 0.00 0.00 177.39 175.18 2kyi n LYS 66 N -1.01 0.00 -0.35 3.23 4.76 -1.26 -4.35 118.16 119.17 2kyi n LYS 66 Ca 0.04 0.35 0.08 0.00 -2.87 0.00 0.00 58.31 55.91 2kyi n LYS 66 Cb 0.50 -1.20 0.22 0.00 -1.84 0.00 0.00 35.03 32.71 2kyi n LYS 66 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kyi n ALA 67 N -1.56 2.76 -1.08 7.82 0.00 -1.26 -4.96 120.51 122.23 2kyi n ALA 67 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 53.44 51.31 2kyi n ALA 67 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.46 0.78 3.14 0.00 0.00 -1.26 -4.63 105.19 102.76 2kyi n GLY 68 Ca 0.19 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.72 0.96 -0.01 1.61 -0.21 -1.26 -0.53 119.66 117.49 2kyi s GLN 69 Ca 0.00 -0.72 -0.03 0.00 0.02 0.00 0.00 55.36 54.63 2kyi s GLN 69 Cb 0.00 -0.96 0.00 0.00 1.00 0.00 0.00 33.01 33.05 2kyi s GLN 69 CO 0.00 0.24 0.06 0.54 -2.12 0.00 0.00 175.29 174.01 2kyi s VAL 70 N -0.78 0.03 -0.24 1.09 0.11 -0.64 -4.59 120.40 115.38 2kyi s VAL 70 Ca 0.02 -0.26 -0.03 0.00 -2.93 0.00 0.00 61.98 58.79 2kyi s VAL 70 Cb -0.07 -0.18 0.11 0.00 -1.53 0.00 0.00 36.38 34.71 2kyi s VAL 70 CO 0.01 -0.14 0.24 -0.70 -3.33 0.00 0.00 175.10 171.18 2kyi s GLU 71 N -0.42 0.24 0.45 1.54 2.12 -1.26 -0.91 118.70 120.46 2kyi s GLU 71 Ca -0.05 0.04 0.05 0.00 0.36 0.00 0.00 54.97 55.38 2kyi s GLU 71 Cb -0.03 -1.01 -0.04 0.00 0.26 0.00 0.00 34.13 33.31 2kyi s GLU 71 CO 0.00 -0.80 0.12 0.14 -0.54 0.00 0.00 175.26 174.18 2kyi s VAL 72 N 2.32 1.85 0.07 3.70 -7.23 -0.55 -4.92 120.40 115.64 2kyi s VAL 72 Ca 0.08 -1.82 -0.01 0.00 -1.81 0.00 0.00 61.98 58.42 2kyi s VAL 72 Cb -0.15 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 2kyi s VAL 72 CO -0.21 0.00 -0.01 -1.83 -0.31 0.00 0.00 175.10 172.74 2kyi s GLU 73 N -3.90 0.69 0.00 4.82 4.04 -1.08 -0.30 118.70 122.97 2kyi s GLU 73 Ca 0.30 -1.27 0.00 0.00 0.04 0.00 0.00 54.97 54.03 2kyi s GLU 73 Cb 0.04 0.20 0.00 0.00 0.02 0.00 0.00 34.13 34.39 2kyi s GLU 73 CO 0.16 -0.14 0.00 0.41 -1.84 0.00 0.00 175.26 173.85 2kyi n GLY 74 N 0.06 -1.32 3.23 -3.83 0.00 -0.64 -0.86 105.19 101.83 2kyi n GLY 74 Ca -0.12 -1.45 -0.44 0.00 0.00 0.00 0.00 46.02 44.01 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 5.81 -4.74 0.99 4.77 0.17 -0.31 117.00 123.69 2kyi n LEU 75 Ca 0.00 -4.86 -0.41 0.00 -0.03 0.00 0.00 56.01 50.70 2kyi n LEU 75 Cb 0.00 -1.47 -0.03 0.00 -2.33 0.00 0.00 43.42 39.59 2kyi n LEU 75 CO 0.00 1.26 1.07 0.27 -1.33 0.00 0.00 177.39 178.66 2kyi s ILE 76 N -0.59 2.90 -0.25 -0.08 -4.36 -1.26 -0.11 121.20 117.45 2kyi s ILE 76 Ca 0.35 0.73 -0.05 0.00 -0.26 0.00 0.00 60.65 61.43 2kyi s ILE 76 Cb -0.02 -3.47 -0.17 0.00 1.25 0.00 0.00 42.46 40.06 2kyi s ILE 76 CO -0.00 0.11 -0.18 -0.67 0.24 0.00 0.00 174.94 174.43 2kyi n ASP 77 N 2.65 1.98 -3.67 4.36 2.03 0.15 -4.89 116.55 119.15 2kyi n ASP 77 Ca 0.07 0.08 -0.15 0.00 0.52 0.00 0.00 54.79 55.31 2kyi n ASP 77 Cb 0.41 -0.62 -0.08 0.00 -0.72 0.00 0.00 41.12 40.12 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 -2.51 -1.19 -0.22 -1.67 0.00 -0.85 -5.00 121.76 110.32 2kyi s ALA 78 Ca -0.34 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 52.52 2kyi s ALA 78 Cb 0.10 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.05 2kyi s ALA 78 CO 0.58 -0.28 -0.11 -0.51 0.00 0.00 0.00 175.76 175.44 2kyi s LEU 79 N -0.85 2.76 -0.22 0.00 1.43 -1.26 -1.75 118.68 118.80 2kyi s LEU 79 Ca -0.09 -0.70 -0.02 0.00 -1.03 0.00 0.00 54.13 52.29 2kyi s LEU 79 Cb -0.03 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.58 2kyi s LEU 79 CO 0.05 -0.06 -0.08 -0.69 0.23 0.00 0.00 176.35 175.80 2kyi s VAL 80 N 1.34 2.98 -0.29 -1.59 1.01 0.39 -4.97 120.40 119.27 2kyi s VAL 80 Ca 0.03 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.31 2kyi s VAL 80 Cb -0.15 -2.38 0.08 0.00 0.00 0.00 0.00 36.38 33.93 2kyi s VAL 80 CO -0.07 0.39 -0.01 -0.47 0.00 0.00 0.00 175.10 174.93 2kyi s TYR 81 N 1.40 3.15 0.69 5.22 6.14 -1.26 -0.11 117.35 132.58 2kyi s TYR 81 Ca 0.04 -2.44 -0.11 0.00 0.64 0.00 0.00 57.07 55.21 2kyi s TYR 81 Cb -0.15 -2.25 0.01 0.00 0.42 0.00 0.00 41.96 39.99 2kyi s TYR 81 CO -0.06 -0.89 1.07 -1.25 0.64 0.00 0.00 175.55 175.07 2kyi s PRO 82 N 1.13 2.98 0.25 4.97 0.04 -1.26 -4.97 135.00 138.13 2kyi s PRO 82 Ca 0.02 0.63 0.02 0.00 0.04 0.00 0.00 61.00 61.71 2kyi s PRO 82 Cb -0.19 -2.02 0.30 0.00 0.04 0.00 0.00 34.50 32.63 2kyi s PRO 82 CO -0.08 -0.98 1.62 -0.07 0.04 0.00 0.00 177.00 177.52 2kyi h LEU 83 N -0.62 0.41 0.00 -3.56 4.07 -2.00 -3.46 115.31 110.14 2kyi h LEU 83 Ca -0.45 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.32 2kyi h LEU 83 Cb 1.23 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.86 2kyi h LEU 83 CO 0.62 0.81 0.00 1.21 -1.08 0.00 0.00 178.44 180.00 2kyi n GLU 84 N -3.99 0.00 0.00 1.13 0.00 -1.26 -4.67 120.64 111.86 2kyi n GLU 84 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.14 2kyi n GLU 84 Cb 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 31.44 31.85 2kyi n GLU 84 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2kyi n HIS 85 N 0.00 0.00 -3.62 4.31 8.25 -1.26 -4.00 115.22 118.90 2kyi n HIS 85 Ca 0.00 -0.25 -0.29 0.00 -0.26 0.00 0.00 57.72 56.92 2kyi n HIS 85 Cb 0.00 -0.17 -0.12 0.00 1.12 0.00 0.00 29.99 30.81 2kyi n HIS 85 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kyi s HIS 86 N -0.48 1.56 0.00 4.41 3.76 -1.26 -4.88 115.29 118.40 2kyi s HIS 86 Ca 0.00 -2.18 0.00 0.00 -0.15 0.00 0.00 55.06 52.73 2kyi s HIS 86 Cb 0.00 -1.54 0.00 0.00 1.11 0.00 0.00 32.58 32.15 2kyi s HIS 86 CO 0.00 -0.79 0.00 -2.39 -0.85 0.00 0.00 174.74 170.71 2kyi n HIS 87 N 3.62 0.00 -3.03 1.40 -0.00 -1.26 -5.07 115.22 110.89 2kyi n HIS 87 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 2kyi n HIS 87 Cb 0.36 0.11 -0.00 0.00 -0.00 0.00 0.00 29.99 30.46 2kyi n HIS 87 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kyi s HIS 88 N 0.00 -1.39 -0.06 -1.40 5.04 -1.26 -4.97 115.29 111.26 2kyi s HIS 88 Ca 0.00 0.08 0.13 0.00 -1.54 0.00 0.00 55.06 53.73 2kyi s HIS 88 Cb 0.00 0.26 -0.09 0.00 0.04 0.00 0.00 32.58 32.79 2kyi s HIS 88 CO 0.00 -0.97 1.18 1.25 -2.34 0.00 0.00 174.74 173.86 2kyi h HIS 89 N 6.28 0.00 0.00 3.88 2.76 -1.98 -3.54 115.15 122.54 2kyi h HIS 89 Ca 0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2kyi h HIS 89 Cb 1.18 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.14 2kyi h HIS 89 CO 0.08 0.72 0.00 1.58 -1.30 0.00 0.00 177.93 179.01