#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 -0.37 0.00 6.12 -4.77 -1.26 -5.00 116.67 111.38 2kyi s ASP 21 Ca 0.00 0.69 0.00 0.00 -3.30 0.00 0.00 52.55 49.94 2kyi s ASP 21 Cb 0.00 0.72 0.00 0.00 -1.09 0.00 0.00 42.92 42.55 2kyi s ASP 21 CO 0.00 -0.16 0.04 -3.20 0.70 0.00 0.00 175.17 172.55 2kyi n ASN 22 N 2.72 0.03 -4.61 2.11 4.05 -1.26 -5.05 115.26 113.26 2kyi n ASN 22 Ca -0.14 -1.00 -0.43 0.00 0.45 0.00 0.00 54.58 53.46 2kyi n ASN 22 Cb 0.57 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.56 2kyi n ASN 22 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 2kyi s ARG 23 N -0.00 3.66 -0.08 1.20 0.52 -1.26 -4.33 118.95 118.66 2kyi s ARG 23 Ca 0.00 1.06 -0.06 0.00 -0.52 0.00 0.00 55.73 56.21 2kyi s ARG 23 Cb 0.00 -3.99 -0.04 0.00 0.52 0.00 0.00 34.95 31.43 2kyi s ARG 23 CO 0.00 -1.45 0.16 -0.65 0.02 0.00 0.00 175.30 173.38 2kyi s GLN 24 N 4.75 3.46 -0.39 3.54 -0.21 -0.05 -4.84 119.66 125.92 2kyi s GLN 24 Ca 0.61 -0.16 -0.15 0.00 0.02 0.00 0.00 55.36 55.69 2kyi s GLN 24 Cb -0.15 -3.16 0.01 0.00 1.00 0.00 0.00 33.01 30.70 2kyi s GLN 24 CO 0.30 0.75 0.30 -0.06 -2.12 0.00 0.00 175.29 174.46 2kyi s PHE 25 N -1.11 3.23 -0.27 0.91 0.40 -1.26 -2.61 117.98 117.26 2kyi s PHE 25 Ca 0.19 -0.45 -0.07 0.00 -0.60 0.00 0.00 56.93 56.00 2kyi s PHE 25 Cb -0.12 -2.60 -0.00 0.00 0.51 0.00 0.00 43.02 40.80 2kyi s PHE 25 CO 0.08 -0.54 0.06 -1.17 0.70 0.00 0.00 175.22 174.35 2kyi s LEU 26 N 1.76 3.63 -0.07 -0.37 2.96 0.39 -4.93 118.68 122.04 2kyi s LEU 26 Ca 0.06 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.47 2kyi s LEU 26 Cb -0.18 -1.88 0.00 0.00 0.50 0.00 0.00 46.19 44.64 2kyi s LEU 26 CO 0.11 -0.13 -0.17 -0.94 -1.32 0.00 0.00 176.35 173.89 2kyi s SER 27 N 1.53 2.29 0.06 3.68 1.04 -1.26 0.26 113.70 121.29 2kyi s SER 27 Ca 0.04 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 56.09 2kyi s SER 27 Cb -0.16 -0.95 -0.03 0.00 0.10 0.00 0.00 66.02 64.98 2kyi s SER 27 CO 0.02 0.10 -0.06 -0.22 0.98 0.00 0.00 173.24 174.06 2kyi s LEU 28 N 0.41 2.34 0.49 2.42 2.96 -0.67 -4.98 118.68 121.65 2kyi s LEU 28 Ca -0.13 -0.70 0.06 0.00 -0.22 0.00 0.00 54.13 53.13 2kyi s LEU 28 Cb -0.15 -0.08 -0.00 0.00 0.50 0.00 0.00 46.19 46.46 2kyi s LEU 28 CO 0.05 -0.32 0.30 0.42 -1.32 0.00 0.00 176.35 175.48 2kyi s THR 29 N -2.20 1.93 -1.13 3.68 -4.23 -1.25 -1.08 115.64 111.36 2kyi s THR 29 Ca -0.03 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 2kyi s THR 29 Cb -0.04 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.29 2kyi s THR 29 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 2kyi n GLY 30 N -1.53 0.95 3.72 3.99 0.00 -0.83 -4.92 105.19 106.56 2kyi n GLY 30 Ca -0.03 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.44 4.85 -0.17 1.61 1.01 -0.98 -2.89 120.40 121.39 2kyi s VAL 31 Ca 0.00 1.90 -0.15 0.00 0.00 0.00 0.00 61.98 63.73 2kyi s VAL 31 Cb 0.00 -4.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.03 2kyi s VAL 31 CO 0.00 0.22 -0.01 -1.20 0.00 0.00 0.00 175.10 174.10 2kyi n SER 32 N 3.65 1.83 -3.64 3.32 7.64 -0.03 -4.60 113.62 121.79 2kyi n SER 32 Ca 0.03 0.54 -0.06 0.00 1.01 0.00 0.00 58.87 60.39 2kyi n SER 32 Cb 0.51 -0.91 -0.02 0.00 -1.01 0.00 0.00 64.21 62.78 2kyi n SER 32 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2kyi s LYS 33 N -2.30 1.12 -0.10 1.43 -2.85 -1.01 -4.93 119.74 111.11 2kyi s LYS 33 Ca -0.21 -0.54 -0.10 0.00 -1.00 0.00 0.00 55.97 54.12 2kyi s LYS 33 Cb 0.04 0.44 -0.05 0.00 -2.06 0.00 0.00 37.83 36.20 2kyi s LYS 33 CO 0.38 -0.50 0.22 0.54 0.10 0.00 0.00 175.35 176.09 2kyi s VAL 34 N -3.33 5.36 -0.19 1.79 0.11 -1.26 -0.36 120.40 122.52 2kyi s VAL 34 Ca 0.08 0.40 -0.21 0.00 -2.93 0.00 0.00 61.98 59.32 2kyi s VAL 34 Cb -0.02 -3.50 -0.21 0.00 -1.53 0.00 0.00 36.38 31.12 2kyi s VAL 34 CO -0.03 0.58 0.30 1.56 -3.33 0.00 0.00 175.10 174.19 2kyi h GLN 35 N 5.11 0.04 -3.74 1.54 4.20 -1.18 -3.47 115.11 117.60 2kyi h GLN 35 Ca -0.52 -0.07 -0.46 0.00 0.06 0.00 0.00 58.65 57.66 2kyi h GLN 35 Cb 1.22 0.02 -0.38 0.00 0.30 0.00 0.00 27.48 28.64 2kyi h GLN 35 CO 0.61 1.03 -0.77 -1.54 -0.67 0.00 0.00 178.83 177.49 2kyi s SER 36 N -6.82 1.88 -0.54 1.46 1.04 -1.23 -4.99 113.70 104.49 2kyi s SER 36 Ca -0.27 -0.23 -0.18 0.00 0.48 0.00 0.00 55.95 55.75 2kyi s SER 36 Cb 0.05 -0.52 0.09 0.00 0.10 0.00 0.00 66.02 65.74 2kyi s SER 36 CO 0.63 -0.20 0.61 0.12 0.98 0.00 0.00 173.24 175.37 2kyi s PHE 37 N 1.92 3.08 -0.02 5.02 5.36 -1.26 -2.59 117.98 129.49 2kyi s PHE 37 Ca 0.04 -0.87 0.02 0.00 -0.96 0.00 0.00 56.93 55.16 2kyi s PHE 37 Cb -0.13 -3.71 0.00 0.00 -0.34 0.00 0.00 43.02 38.84 2kyi s PHE 37 CO -0.06 -1.10 -0.06 -0.51 -1.46 0.00 0.00 175.22 172.02 2kyi s ASP 38 N 3.18 0.89 0.00 6.13 1.11 -1.25 -5.03 116.67 121.70 2kyi s ASP 38 Ca 0.10 -0.13 0.00 0.00 0.18 0.00 0.00 52.55 52.70 2kyi s ASP 38 Cb -0.23 -0.22 0.00 0.00 1.07 0.00 0.00 42.92 43.53 2kyi s ASP 38 CO 0.08 0.04 0.36 -2.65 1.18 0.00 0.00 175.17 174.17 2kyi n PRO 39 N 3.30 0.55 0.00 8.23 -0.02 -1.26 -2.62 135.00 143.17 2kyi n PRO 39 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2kyi n PRO 39 Cb 0.55 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.84 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 0.01 0.76 -3.45 -0.52 5.02 -1.26 -0.30 118.16 118.42 2kyi n LYS 40 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 2kyi n LYS 40 Cb 0.10 -0.62 -0.11 0.00 -0.02 0.00 0.00 35.03 34.38 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 -1.23 0.24 -0.17 1.97 2.12 -1.08 -0.55 118.70 120.00 2kyi s GLU 41 Ca 0.00 0.23 -0.05 0.00 0.36 0.00 0.00 54.97 55.51 2kyi s GLU 41 Cb 0.00 -0.98 -0.03 0.00 0.26 0.00 0.00 34.13 33.38 2kyi s GLU 41 CO 0.00 -0.70 -0.00 0.42 -0.54 0.00 0.00 175.26 174.43 2kyi s ILE 42 N 2.38 4.12 -0.49 -3.70 1.01 0.76 -3.77 121.20 121.51 2kyi s ILE 42 Ca 0.09 -0.27 -0.13 0.00 0.00 0.00 0.00 60.65 60.34 2kyi s ILE 42 Cb -0.15 -2.83 0.11 0.00 0.01 0.00 0.00 42.46 39.59 2kyi s ILE 42 CO -0.16 0.47 0.39 -0.76 0.00 0.00 0.00 174.94 174.89 2kyi s LEU 43 N 0.51 5.76 -0.22 2.97 1.43 -1.07 -0.29 118.68 127.78 2kyi s LEU 43 Ca -0.01 -1.69 -0.17 0.00 -1.03 0.00 0.00 54.13 51.22 2kyi s LEU 43 Cb -0.14 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 2kyi s LEU 43 CO 0.02 -0.72 0.46 -0.76 0.23 0.00 0.00 176.35 175.59 2kyi s LEU 44 N 1.50 4.12 -0.19 1.79 1.43 -0.05 -0.54 118.68 126.74 2kyi s LEU 44 Ca 0.04 0.55 -0.18 0.00 -1.03 0.00 0.00 54.13 53.51 2kyi s LEU 44 Cb -0.27 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 2kyi s LEU 44 CO 0.02 -0.17 0.51 -0.70 0.23 0.00 0.00 176.35 176.24 2kyi s GLU 45 N 1.72 4.21 0.00 1.70 2.12 0.51 0.04 118.70 129.01 2kyi s GLU 45 Ca 0.21 0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.95 2kyi s GLU 45 Cb -0.15 -3.54 0.00 0.00 0.26 0.00 0.00 34.13 30.69 2kyi s GLU 45 CO 0.09 -0.10 0.00 -2.37 -0.54 0.00 0.00 175.26 172.34 2kyi n THR 46 N 4.41 0.00 -1.55 -1.70 5.66 0.88 -0.85 114.28 121.13 2kyi n THR 46 Ca -0.05 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.74 2kyi n THR 46 Cb 0.51 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.21 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 0.00 -0.03 -1.34 1.09 5.41 -1.14 -2.52 119.36 120.84 2kyi n ILE 47 Ca 0.00 -0.57 -0.12 0.00 1.00 0.00 0.00 62.75 63.06 2kyi n ILE 47 Cb 0.00 -2.03 -0.05 0.00 -0.71 0.00 0.00 39.64 36.85 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 8.61 -1.20 -4.04 0.38 7.27 -1.26 -4.92 117.38 122.21 2kyi n GLN 48 Ca 0.46 0.87 -0.11 0.00 0.07 0.00 0.00 57.00 58.30 2kyi n GLN 48 Cb 0.43 -5.03 -0.05 0.00 2.41 0.00 0.00 30.24 27.99 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 -2.61 0.92 -0.05 1.69 0.00 -1.05 -4.91 107.32 101.30 2kyi s GLY 49 Ca 0.00 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.57 2kyi s GLY 49 CO 0.00 -0.82 -0.07 0.14 0.00 0.00 0.00 173.10 172.35 2kyi s VAL 50 N -3.71 0.71 -0.23 1.40 1.01 -1.26 -0.08 120.40 118.23 2kyi s VAL 50 Ca 0.27 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.95 2kyi s VAL 50 Cb 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 2kyi s VAL 50 CO 0.13 0.26 0.07 -0.22 0.00 0.00 0.00 175.10 175.35 2kyi s LEU 51 N 0.88 3.56 -0.35 3.92 2.96 0.11 -4.32 118.68 125.44 2kyi s LEU 51 Ca -0.11 -0.13 -0.15 0.00 -0.22 0.00 0.00 54.13 53.52 2kyi s LEU 51 Cb -0.15 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 2kyi s LEU 51 CO 0.01 0.01 0.34 -0.44 -1.32 0.00 0.00 176.35 174.95 2kyi s SER 52 N 1.32 6.15 -0.33 3.68 0.01 0.53 -0.88 113.70 124.20 2kyi s SER 52 Ca 0.05 -0.33 -0.12 0.00 1.31 0.00 0.00 55.95 56.87 2kyi s SER 52 Cb -0.15 -2.18 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 2kyi s SER 52 CO 0.04 -0.34 0.21 -0.63 0.41 0.00 0.00 173.24 172.93 2kyi s ILE 53 N 1.95 5.06 -0.05 1.44 -1.09 0.61 -1.40 121.20 127.71 2kyi s ILE 53 Ca 0.10 -0.25 0.05 0.00 -2.23 0.00 0.00 60.65 58.32 2kyi s ILE 53 Cb -0.17 -3.57 -0.01 0.00 -1.58 0.00 0.00 42.46 37.13 2kyi s ILE 53 CO 0.11 0.04 -0.21 -0.75 -1.23 0.00 0.00 174.94 172.91 2kyi s LYS 54 N 1.69 2.16 0.00 2.79 2.20 0.02 -0.17 119.74 128.42 2kyi s LYS 54 Ca 0.06 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 54.93 2kyi s LYS 54 Cb -0.17 -1.83 0.00 0.00 -1.51 0.00 0.00 37.83 34.31 2kyi s LYS 54 CO 0.09 0.29 0.00 0.41 -0.36 0.00 0.00 175.35 175.78 2kyi n GLY 55 N 3.10 -0.61 3.32 5.54 0.00 0.28 -0.00 105.19 116.83 2kyi n GLY 55 Ca -0.18 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.09 2.71 -0.95 1.61 0.41 0.77 -4.39 118.70 117.77 2kyi s GLU 56 Ca 0.00 -0.83 -0.06 0.00 -0.41 0.00 0.00 54.97 53.67 2kyi s GLU 56 Cb 0.00 -2.28 -0.03 0.00 -1.78 0.00 0.00 34.13 30.03 2kyi s GLU 56 CO 0.00 0.39 0.81 1.63 -0.49 0.00 0.00 175.26 177.60 2kyi n LYS 57 N 2.96 -1.75 -2.27 1.61 5.02 -0.63 -0.71 118.16 122.39 2kyi n LYS 57 Ca -0.18 1.01 -0.43 0.00 -2.02 0.00 0.00 58.31 56.69 2kyi n LYS 57 Cb 0.52 -5.37 0.00 0.00 -0.02 0.00 0.00 35.03 30.16 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 -2.87 6.21 -4.78 -0.35 4.32 0.59 -3.75 117.00 116.37 2kyi n LEU 58 Ca -0.06 -4.32 -0.35 0.00 -0.02 0.00 0.00 56.01 51.25 2kyi n LEU 58 Cb 0.58 -1.61 -0.00 0.00 -1.62 0.00 0.00 43.42 40.77 2kyi n LEU 58 CO 0.59 0.98 0.78 -0.83 -1.22 0.00 0.00 177.39 177.68 2kyi s GLY 59 N 2.52 2.63 -0.05 -0.72 0.00 0.00 -4.61 107.32 107.10 2kyi s GLY 59 Ca 0.45 0.80 0.05 0.00 0.00 0.00 0.00 44.72 46.02 2kyi s GLY 59 CO -0.01 1.16 -0.22 -0.42 0.00 0.00 0.00 173.10 173.60 2kyi s ILE 60 N -1.79 1.80 -0.23 0.90 1.01 -1.26 -0.14 121.20 121.50 2kyi s ILE 60 Ca 0.71 -0.93 -0.29 0.00 0.00 0.00 0.00 60.65 60.14 2kyi s ILE 60 Cb -0.23 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 2kyi s ILE 60 CO 0.26 0.51 1.45 -0.75 0.00 0.00 0.00 174.94 176.41 2kyi s LYS 61 N -0.08 3.93 -0.62 2.79 2.47 0.86 -4.95 119.74 124.14 2kyi s LYS 61 Ca -0.04 1.55 -0.23 0.00 -1.56 0.00 0.00 55.97 55.70 2kyi s LYS 61 Cb -0.13 -3.93 0.06 0.00 -1.46 0.00 0.00 37.83 32.37 2kyi s LYS 61 CO 0.03 -1.11 0.93 -3.38 0.16 0.00 0.00 175.35 171.98 2kyi s HIS 62 N 4.56 2.73 0.26 4.03 -3.43 -1.26 -4.30 115.29 117.88 2kyi s HIS 62 Ca 0.64 -0.43 0.03 0.00 -0.80 0.00 0.00 55.06 54.50 2kyi s HIS 62 Cb -0.22 -4.18 -0.01 0.00 -1.43 0.00 0.00 32.58 26.74 2kyi s HIS 62 CO 0.25 -1.53 0.12 1.47 -2.00 0.00 0.00 174.74 173.05 2kyi n LEU 63 N 7.52 0.00 -4.82 5.38 -0.00 -1.26 -5.15 117.00 118.67 2kyi n LEU 63 Ca -0.03 -2.09 -0.34 0.00 -0.00 0.00 0.00 56.01 53.55 2kyi n LEU 63 Cb 0.46 0.80 -0.06 0.00 -0.00 0.00 0.00 43.42 44.61 2kyi n LEU 63 CO 0.63 -0.33 0.52 1.51 -0.00 0.00 0.00 177.39 179.73 2kyi s ASP 64 N -2.64 6.99 0.00 1.45 -4.77 -1.26 -4.95 116.67 111.49 2kyi s ASP 64 Ca 0.17 1.53 0.25 0.00 -3.30 0.00 0.00 52.55 51.19 2kyi s ASP 64 Cb 0.01 -2.47 0.74 0.00 -1.09 0.00 0.00 42.92 40.11 2kyi s ASP 64 CO 0.12 -0.16 1.56 0.18 0.70 0.00 0.00 175.17 177.57 2kyi n LEU 65 N -0.01 2.04 -0.09 2.11 4.77 -1.26 -3.85 117.00 120.71 2kyi n LEU 65 Ca 0.03 -0.76 -0.12 0.00 -0.03 0.00 0.00 56.01 55.13 2kyi n LEU 65 Cb 0.52 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 2kyi n LEU 65 CO 0.41 0.38 0.72 0.50 -1.33 0.00 0.00 177.39 178.07 2kyi h LYS 66 N 2.98 0.52 -0.78 3.23 3.11 -1.92 -2.49 116.57 121.22 2kyi h LYS 66 Ca 0.00 -0.19 -0.05 0.00 -2.81 0.00 0.00 60.65 57.59 2kyi h LYS 66 Cb 0.64 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.81 2kyi h LYS 66 CO 0.00 0.72 0.29 0.00 -2.81 0.00 0.00 179.45 177.65 2kyi h ALA 67 N 0.78 1.01 0.00 5.00 0.00 -1.95 -3.47 119.26 120.63 2kyi h ALA 67 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2kyi h ALA 67 Cb 0.53 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2kyi h ALA 67 CO 0.03 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.34 2kyi n GLY 68 N -0.84 0.36 3.70 0.00 0.00 -0.94 -4.67 105.19 102.80 2kyi n GLY 68 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.86 4.37 0.03 1.61 2.00 -1.26 -1.97 119.66 123.58 2kyi s GLN 69 Ca 0.00 0.83 0.04 0.00 -2.00 0.00 0.00 55.36 54.24 2kyi s GLN 69 Cb 0.00 -3.49 -0.02 0.00 0.80 0.00 0.00 33.01 30.30 2kyi s GLN 69 CO 0.00 -0.04 -0.13 0.54 -0.50 0.00 0.00 175.29 175.15 2kyi s VAL 70 N 1.19 1.04 -0.13 1.34 0.11 -0.24 -4.72 120.40 119.00 2kyi s VAL 70 Ca 0.36 -0.88 0.01 0.00 -2.93 0.00 0.00 61.98 58.53 2kyi s VAL 70 Cb -0.17 -0.93 0.02 0.00 -1.53 0.00 0.00 36.38 33.77 2kyi s VAL 70 CO 0.16 0.05 -0.13 -1.61 -3.33 0.00 0.00 175.10 170.24 2kyi s GLU 71 N -0.94 2.10 -0.19 1.54 2.02 -1.26 -1.67 118.70 120.29 2kyi s GLU 71 Ca 0.02 -0.49 -0.05 0.00 0.02 0.00 0.00 54.97 54.46 2kyi s GLU 71 Cb -0.07 -1.91 -0.03 0.00 0.10 0.00 0.00 34.13 32.22 2kyi s GLU 71 CO 0.01 -0.18 0.01 0.08 0.02 0.00 0.00 175.26 175.20 2kyi s VAL 72 N 1.35 4.15 -0.17 2.63 1.01 0.14 -0.10 120.40 129.41 2kyi s VAL 72 Ca 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 2kyi s VAL 72 Cb -0.13 -2.87 -0.00 0.00 0.00 0.00 0.00 36.38 33.37 2kyi s VAL 72 CO -0.07 0.44 -0.13 -1.61 0.00 0.00 0.00 175.10 173.73 2kyi s GLU 73 N 0.78 3.26 0.00 2.72 2.02 0.80 -0.46 118.70 127.81 2kyi s GLU 73 Ca 0.01 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.28 2kyi s GLU 73 Cb -0.14 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.39 2kyi s GLU 73 CO 0.02 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.69 2kyi n GLY 74 N 4.18 -1.56 2.80 -1.39 0.00 -1.07 -0.82 105.19 107.33 2kyi n GLY 74 Ca -0.19 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 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 6.93 -4.77 0.99 4.77 0.11 -0.87 117.00 124.17 2kyi n LEU 75 Ca 0.00 -4.79 -0.39 0.00 -0.03 0.00 0.00 56.01 50.79 2kyi n LEU 75 Cb 0.00 -1.42 -0.03 0.00 -2.33 0.00 0.00 43.42 39.65 2kyi n LEU 75 CO 0.00 1.58 0.87 0.27 -1.33 0.00 0.00 177.39 178.78 2kyi s ILE 76 N -0.49 3.11 -0.02 -0.08 -4.36 -1.26 -0.16 121.20 117.95 2kyi s ILE 76 Ca 0.41 1.03 0.00 0.00 -0.26 0.00 0.00 60.65 61.83 2kyi s ILE 76 Cb 0.11 -3.61 -0.01 0.00 1.25 0.00 0.00 42.46 40.19 2kyi s ILE 76 CO -0.00 0.17 -0.02 -0.67 0.24 0.00 0.00 174.94 174.66 2kyi n ASP 77 N 0.52 3.84 -3.94 4.36 2.03 1.00 -4.87 116.55 119.49 2kyi n ASP 77 Ca 0.02 -0.01 -0.18 0.00 0.52 0.00 0.00 54.79 55.13 2kyi n ASP 77 Cb 0.45 -0.03 -0.15 0.00 -0.72 0.00 0.00 41.12 40.67 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 -2.04 0.63 -0.16 -1.67 0.00 0.45 -4.99 121.76 113.97 2kyi s ALA 78 Ca -0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 51.96 51.75 2kyi s ALA 78 Cb 0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.85 2kyi s ALA 78 CO 0.05 0.07 -0.15 -0.51 0.00 0.00 0.00 175.76 175.23 2kyi s LEU 79 N 0.34 2.49 -0.05 0.00 2.01 -1.26 -0.80 118.68 121.41 2kyi s LEU 79 Ca -0.04 -0.47 0.04 0.00 0.01 0.00 0.00 54.13 53.66 2kyi s LEU 79 Cb -0.08 -1.57 0.00 0.00 0.01 0.00 0.00 46.19 44.54 2kyi s LEU 79 CO 0.00 0.07 -0.16 -0.69 1.01 0.00 0.00 176.35 176.58 2kyi s VAL 80 N 0.88 1.37 -0.17 -1.59 1.01 -0.49 -5.02 120.40 116.39 2kyi s VAL 80 Ca -0.04 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 2kyi s VAL 80 Cb -0.15 -1.19 0.06 0.00 0.00 0.00 0.00 36.38 35.10 2kyi s VAL 80 CO -0.01 0.40 0.05 -0.47 0.00 0.00 0.00 175.10 175.07 2kyi s TYR 81 N 0.19 0.70 0.51 5.22 6.14 -1.26 -0.34 117.35 128.50 2kyi s TYR 81 Ca -0.07 -0.59 -0.19 0.00 0.64 0.00 0.00 57.07 56.86 2kyi s TYR 81 Cb -0.13 -0.88 -0.07 0.00 0.42 0.00 0.00 41.96 41.30 2kyi s TYR 81 CO 0.03 -0.54 1.05 -1.25 0.64 0.00 0.00 175.55 175.48 2kyi s PRO 82 N 1.97 3.69 0.30 4.97 0.04 -1.26 -5.00 135.00 139.70 2kyi s PRO 82 Ca 0.01 1.35 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 2kyi s PRO 82 Cb -0.16 -2.08 -0.11 0.00 0.04 0.00 0.00 34.50 32.20 2kyi s PRO 82 CO -0.08 -0.53 1.45 -0.51 0.04 0.00 0.00 177.00 177.37 2kyi s LEU 83 N -3.68 4.37 0.89 -3.56 1.02 -1.26 -4.88 118.68 111.59 2kyi s LEU 83 Ca 0.67 2.81 -0.12 0.00 0.02 0.00 0.00 54.13 57.51 2kyi s LEU 83 Cb -0.17 -3.64 0.13 0.00 0.02 0.00 0.00 46.19 42.53 2kyi s LEU 83 CO 0.23 -0.74 1.11 -1.83 0.02 0.00 0.00 176.35 175.14 2kyi s GLU 84 N -1.06 1.28 -0.36 1.70 4.04 -1.26 -5.02 118.70 118.02 2kyi s GLU 84 Ca 0.56 0.54 0.14 0.00 0.04 0.00 0.00 54.97 56.25 2kyi s GLU 84 Cb -0.43 -1.83 0.40 0.00 0.02 0.00 0.00 34.13 32.28 2kyi s GLU 84 CO 0.50 -2.15 0.93 1.58 -1.84 0.00 0.00 175.26 174.28 2kyi n HIS 85 N -3.78 0.03 -1.88 4.83 -0.00 -1.26 -5.11 115.22 108.04 2kyi n HIS 85 Ca 0.06 -3.01 -0.31 0.00 0.46 0.00 0.00 57.72 54.92 2kyi n HIS 85 Cb 0.57 0.01 0.01 0.00 -0.12 0.00 0.00 29.99 30.47 2kyi n HIS 85 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kyi s HIS 86 N -2.19 3.42 0.09 1.57 -3.43 -1.26 -4.94 115.29 108.55 2kyi s HIS 86 Ca 0.31 1.37 0.00 0.00 -0.80 0.00 0.00 55.06 55.94 2kyi s HIS 86 Cb 0.40 -2.80 0.00 0.00 -1.43 0.00 0.00 32.58 28.75 2kyi s HIS 86 CO -0.03 -0.82 0.00 1.58 -2.00 0.00 0.00 174.74 173.47 2kyi n HIS 87 N -2.62 -2.67 -3.70 0.38 -0.00 -1.26 -5.13 115.22 100.21 2kyi n HIS 87 Ca 0.07 0.31 -0.12 0.00 0.46 0.00 0.00 57.72 58.44 2kyi n HIS 87 Cb 0.54 1.13 -0.10 0.00 -0.12 0.00 0.00 29.99 31.44 2kyi n HIS 87 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kyi s HIS 88 N -1.21 -0.58 0.27 1.57 2.46 -1.26 -5.04 115.29 111.50 2kyi s HIS 88 Ca 0.00 1.31 -0.02 0.00 0.47 0.00 0.00 55.06 56.82 2kyi s HIS 88 Cb 0.00 0.24 0.43 0.00 -0.13 0.00 0.00 32.58 33.12 2kyi s HIS 88 CO 0.00 -0.30 1.88 0.45 -2.47 0.00 0.00 174.74 174.30 2kyi h HIS 89 N 6.20 1.19 0.00 3.88 -0.00 -2.02 -3.55 115.15 120.85 2kyi h HIS 89 Ca -0.31 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.09 2kyi h HIS 89 Cb 1.18 -0.39 0.00 0.00 -0.00 0.00 0.00 27.41 28.20 2kyi h HIS 89 CO 0.31 0.60 0.00 -2.39 -0.00 0.00 0.00 177.93 176.46