#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 -0.20 0.00 3.17 -1.08 -1.26 -5.04 116.67 112.25 2kyi s ASP 21 Ca 0.00 -0.09 0.20 0.00 -0.52 0.00 0.00 52.55 52.15 2kyi s ASP 21 Cb 0.00 0.39 0.16 0.00 -1.46 0.00 0.00 42.92 42.00 2kyi s ASP 21 CO 0.00 -0.63 1.14 0.59 0.52 0.00 0.00 175.17 176.79 2kyi n ASN 22 N 0.58 2.67 -4.55 -0.34 3.02 -1.26 -4.88 115.26 110.50 2kyi n ASN 22 Ca -0.19 -1.84 -0.40 0.00 -0.03 0.00 0.00 54.58 52.13 2kyi n ASN 22 Cb 0.59 0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.74 2kyi n ASN 22 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2kyi s ARG 23 N -1.70 2.92 0.13 3.52 0.52 -1.25 -3.66 118.95 119.43 2kyi s ARG 23 Ca 0.23 0.15 0.05 0.00 -0.52 0.00 0.00 55.73 55.65 2kyi s ARG 23 Cb 0.17 -4.31 -0.04 0.00 0.52 0.00 0.00 34.95 31.29 2kyi s ARG 23 CO 0.26 -2.45 0.04 -0.65 0.02 0.00 0.00 175.30 172.53 2kyi s GLN 24 N 6.37 2.64 -0.36 3.54 -0.21 -0.51 -4.81 119.66 126.33 2kyi s GLN 24 Ca 0.51 -0.89 -0.11 0.00 0.02 0.00 0.00 55.36 54.89 2kyi s GLN 24 Cb -0.10 -2.55 0.01 0.00 1.00 0.00 0.00 33.01 31.38 2kyi s GLN 24 CO 0.17 0.51 0.20 -0.06 -2.12 0.00 0.00 175.29 173.99 2kyi s PHE 25 N -1.53 3.22 -0.30 0.91 0.40 -1.26 -2.32 117.98 117.10 2kyi s PHE 25 Ca 0.28 -0.75 -0.07 0.00 -0.60 0.00 0.00 56.93 55.78 2kyi s PHE 25 Cb -0.11 -2.43 0.01 0.00 0.51 0.00 0.00 43.02 41.00 2kyi s PHE 25 CO 0.20 -0.56 0.10 -1.17 0.70 0.00 0.00 175.22 174.49 2kyi s LEU 26 N 1.59 3.94 -0.22 -0.37 2.96 0.92 -4.98 118.68 122.54 2kyi s LEU 26 Ca 0.03 -0.71 0.01 0.00 -0.22 0.00 0.00 54.13 53.25 2kyi s LEU 26 Cb -0.18 -1.91 0.03 0.00 0.50 0.00 0.00 46.19 44.64 2kyi s LEU 26 CO 0.07 -0.20 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.19 2kyi s SER 27 N 1.52 3.74 -0.04 3.68 0.15 -1.26 -1.43 113.70 120.06 2kyi s SER 27 Ca 0.03 -0.94 0.02 0.00 0.70 0.00 0.00 55.95 55.75 2kyi s SER 27 Cb -0.17 -1.53 0.01 0.00 -1.71 0.00 0.00 66.02 62.62 2kyi s SER 27 CO 0.03 -0.08 -0.07 -0.22 1.20 0.00 0.00 173.24 174.10 2kyi s LEU 28 N 1.23 1.55 0.70 3.45 2.96 -0.54 -5.00 118.68 123.04 2kyi s LEU 28 Ca -0.01 -0.16 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 2kyi s LEU 28 Cb -0.16 -0.51 0.13 0.00 0.50 0.00 0.00 46.19 46.15 2kyi s LEU 28 CO -0.09 0.00 0.96 0.42 -1.32 0.00 0.00 176.35 176.32 2kyi s THR 29 N 0.59 2.06 -0.57 3.68 -4.23 -1.26 -0.25 115.64 115.67 2kyi s THR 29 Ca -0.09 -0.71 -0.02 0.00 -1.18 0.00 0.00 61.69 59.69 2kyi s THR 29 Cb -0.12 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.36 2kyi s THR 29 CO 0.01 0.00 0.33 0.61 -0.54 0.00 0.00 174.62 175.02 2kyi n GLY 30 N -2.73 0.29 3.74 3.99 0.00 -1.10 -4.89 105.19 104.49 2kyi n GLY 30 Ca 0.16 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.92 5.40 -0.23 1.61 1.01 0.02 -2.60 120.40 122.70 2kyi s VAL 31 Ca 0.16 0.24 -0.12 0.00 0.00 0.00 0.00 61.98 62.26 2kyi s VAL 31 Cb -0.07 -3.48 -0.18 0.00 0.00 0.00 0.00 36.38 32.65 2kyi s VAL 31 CO 0.20 0.45 -0.03 -0.24 0.00 0.00 0.00 175.10 175.48 2kyi n SER 32 N 3.39 1.96 -3.54 3.32 2.88 0.15 -4.48 113.62 117.31 2kyi n SER 32 Ca -0.16 0.26 -0.15 0.00 -1.33 0.00 0.00 58.87 57.49 2kyi n SER 32 Cb 0.52 -0.80 -0.05 0.00 -0.75 0.00 0.00 64.21 63.13 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 -2.48 0.88 -0.43 -1.46 2.20 -1.01 -5.00 119.74 112.44 2kyi s LYS 33 Ca -0.32 0.19 -0.22 0.00 -0.36 0.00 0.00 55.97 55.25 2kyi s LYS 33 Cb 0.10 0.41 0.02 0.00 -1.51 0.00 0.00 37.83 36.85 2kyi s LYS 33 CO 0.59 -0.28 0.75 0.08 -0.36 0.00 0.00 175.35 176.13 2kyi s VAL 34 N -1.26 4.71 -0.14 4.02 1.01 -1.26 0.30 120.40 127.77 2kyi s VAL 34 Ca -0.07 0.46 -0.27 0.00 0.00 0.00 0.00 61.98 62.10 2kyi s VAL 34 Cb -0.00 -4.26 -0.26 0.00 0.00 0.00 0.00 36.38 31.86 2kyi s VAL 34 CO 0.06 -0.62 0.70 1.56 0.00 0.00 0.00 175.10 176.80 2kyi h GLN 35 N 8.84 0.03 -4.65 2.72 4.20 -1.12 -3.44 115.11 121.68 2kyi h GLN 35 Ca -0.25 -0.06 -0.61 0.00 0.06 0.00 0.00 58.65 57.80 2kyi h GLN 35 Cb 1.09 0.02 -0.36 0.00 0.30 0.00 0.00 27.48 28.53 2kyi h GLN 35 CO 0.93 1.03 -0.83 0.45 -0.67 0.00 0.00 178.83 179.74 2kyi s SER 36 N -6.40 2.83 -0.45 1.46 0.15 -1.10 -4.96 113.70 105.23 2kyi s SER 36 Ca -0.20 -0.57 -0.10 0.00 0.70 0.00 0.00 55.95 55.79 2kyi s SER 36 Cb -0.01 -1.19 0.10 0.00 -1.71 0.00 0.00 66.02 63.20 2kyi s SER 36 CO 0.69 -0.07 0.31 0.12 1.20 0.00 0.00 173.24 175.49 2kyi s PHE 37 N 1.47 3.38 0.05 3.44 5.36 -1.26 -1.45 117.98 128.97 2kyi s PHE 37 Ca 0.04 -1.67 0.03 0.00 -0.96 0.00 0.00 56.93 54.37 2kyi s PHE 37 Cb -0.13 -3.26 -0.03 0.00 -0.34 0.00 0.00 43.02 39.26 2kyi s PHE 37 CO -0.10 -0.92 -0.09 -0.51 -1.46 0.00 0.00 175.22 172.13 2kyi s ASP 38 N 2.46 1.07 0.00 6.13 1.01 -1.20 -5.02 116.67 121.12 2kyi s ASP 38 Ca 0.04 -0.57 0.22 0.00 0.71 0.00 0.00 52.55 52.95 2kyi s ASP 38 Cb -0.25 0.01 1.17 0.00 1.01 0.00 0.00 42.92 44.87 2kyi s ASP 38 CO 0.01 -0.17 1.69 -0.81 0.21 0.00 0.00 175.17 176.09 2kyi n PRO 39 N 1.41 0.46 -0.01 8.23 -0.04 -1.26 -3.32 135.00 140.48 2kyi n PRO 39 Ca -0.22 0.05 -0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2kyi n PRO 39 Cb 0.54 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.17 2.14 -3.39 0.54 4.76 -1.26 -1.70 118.16 118.08 2kyi n LYS 40 Ca 0.13 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 2kyi n LYS 40 Cb 0.13 -1.06 -0.03 0.00 -1.84 0.00 0.00 35.03 32.23 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 -2.10 0.54 -0.16 1.97 2.12 -1.21 -1.36 118.70 118.50 2kyi s GLU 41 Ca -0.01 1.15 -0.03 0.00 0.36 0.00 0.00 54.97 56.44 2kyi s GLU 41 Cb 0.01 0.60 -0.02 0.00 0.26 0.00 0.00 34.13 34.97 2kyi s GLU 41 CO 0.09 -0.44 -0.05 0.42 -0.54 0.00 0.00 175.26 174.75 2kyi s ILE 42 N 2.84 3.76 -0.41 -3.70 1.01 -0.40 -3.24 121.20 121.06 2kyi s ILE 42 Ca 0.09 -0.40 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 2kyi s ILE 42 Cb -0.14 -2.65 0.04 0.00 0.01 0.00 0.00 42.46 39.73 2kyi s ILE 42 CO -0.19 0.49 0.27 -0.76 0.00 0.00 0.00 174.94 174.74 2kyi s LEU 43 N 0.47 5.03 -0.22 2.97 1.43 -0.52 -0.71 118.68 127.13 2kyi s LEU 43 Ca -0.04 -1.11 -0.13 0.00 -1.03 0.00 0.00 54.13 51.81 2kyi s LEU 43 Cb -0.14 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 2kyi s LEU 43 CO 0.03 -0.47 0.28 -0.76 0.23 0.00 0.00 176.35 175.66 2kyi s LEU 44 N 1.58 4.14 -0.41 1.79 1.43 0.57 -0.46 118.68 127.31 2kyi s LEU 44 Ca 0.03 0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 53.15 2kyi s LEU 44 Cb -0.21 -2.31 0.02 0.00 0.03 0.00 0.00 46.19 43.73 2kyi s LEU 44 CO 0.07 -0.00 1.12 -0.70 0.23 0.00 0.00 176.35 177.07 2kyi s GLU 45 N 1.17 3.86 0.55 1.70 2.12 0.15 0.05 118.70 128.31 2kyi s GLU 45 Ca 0.13 0.79 0.07 0.00 0.36 0.00 0.00 54.97 56.32 2kyi s GLU 45 Cb -0.14 -3.84 0.05 0.00 0.26 0.00 0.00 34.13 30.46 2kyi s GLU 45 CO 0.06 -1.19 0.54 0.95 -0.54 0.00 0.00 175.26 175.08 2kyi s THR 46 N 4.16 1.87 0.22 -1.70 -4.23 0.49 0.31 115.64 116.76 2kyi s THR 46 Ca 0.47 -1.31 -0.14 0.00 -1.18 0.00 0.00 61.69 59.53 2kyi s THR 46 Cb -0.09 -2.18 0.26 0.00 1.34 0.00 0.00 72.50 71.83 2kyi s THR 46 CO 0.25 0.00 1.43 -0.38 -0.54 0.00 0.00 174.62 175.39 2kyi n ILE 47 N -1.93 -0.47 -2.72 2.99 5.41 -1.07 -2.61 119.36 118.96 2kyi n ILE 47 Ca 0.05 2.15 0.01 0.00 1.00 0.00 0.00 62.75 65.96 2kyi n ILE 47 Cb 0.63 -2.87 0.04 0.00 -0.71 0.00 0.00 39.64 36.73 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 -5.39 1.18 -0.85 0.38 6.02 -1.26 -5.07 117.38 112.39 2kyi n GLN 48 Ca 0.10 -3.03 0.00 0.00 -0.01 0.00 0.00 57.00 54.07 2kyi n GLN 48 Cb 0.39 -1.10 0.00 0.00 1.02 0.00 0.00 30.24 30.55 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 -0.25 1.38 2.80 1.08 0.00 -1.07 -5.03 105.19 104.10 2kyi n GLY 49 Ca 0.07 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.44 0.26 -0.30 1.61 1.01 -1.26 -0.38 120.40 118.90 2kyi s VAL 50 Ca 0.00 0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.93 2kyi s VAL 50 Cb 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 2kyi s VAL 50 CO 0.00 0.19 0.36 -0.22 0.00 0.00 0.00 175.10 175.43 2kyi s LEU 51 N 1.39 4.22 -0.42 3.92 2.96 0.11 -4.14 118.68 126.70 2kyi s LEU 51 Ca -0.04 0.03 -0.16 0.00 -0.22 0.00 0.00 54.13 53.74 2kyi s LEU 51 Cb -0.13 -2.37 0.03 0.00 0.50 0.00 0.00 46.19 44.21 2kyi s LEU 51 CO -0.02 -0.25 0.36 -0.44 -1.32 0.00 0.00 176.35 174.67 2kyi s SER 52 N 1.70 6.14 -0.35 3.68 0.01 0.68 -0.31 113.70 125.24 2kyi s SER 52 Ca 0.13 -0.87 -0.14 0.00 1.31 0.00 0.00 55.95 56.38 2kyi s SER 52 Cb -0.16 -2.19 -0.01 0.00 0.21 0.00 0.00 66.02 63.87 2kyi s SER 52 CO 0.11 -0.52 0.28 -0.63 0.41 0.00 0.00 173.24 172.89 2kyi s ILE 53 N 1.84 5.25 0.06 1.44 1.01 0.12 -0.26 121.20 130.66 2kyi s ILE 53 Ca 0.07 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.51 2kyi s ILE 53 Cb -0.19 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 2kyi s ILE 53 CO 0.11 -0.08 0.11 -0.54 0.00 0.00 0.00 174.94 174.53 2kyi s LYS 54 N 1.79 3.03 0.00 2.79 1.02 0.42 -1.27 119.74 127.51 2kyi s LYS 54 Ca 0.07 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.46 2kyi s LYS 54 Cb -0.17 -2.82 0.00 0.00 -0.52 0.00 0.00 37.83 34.32 2kyi s LYS 54 CO 0.11 0.59 0.00 0.41 -0.92 0.00 0.00 175.35 175.54 2kyi n GLY 55 N 0.57 -0.20 3.13 -3.33 0.00 -0.47 0.35 105.19 105.25 2kyi n GLY 55 Ca -0.09 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.76 2kyi n GLY 55 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kyi s GLU 56 N -2.00 0.53 -1.26 1.61 -1.05 0.12 -4.41 118.70 112.25 2kyi s GLU 56 Ca 0.00 -0.39 -0.05 0.00 -0.15 0.00 0.00 54.97 54.38 2kyi s GLU 56 Cb 0.00 0.22 -0.01 0.00 -0.44 0.00 0.00 34.13 33.91 2kyi s GLU 56 CO 0.00 -0.13 0.71 1.63 0.95 0.00 0.00 175.26 178.41 2kyi n LYS 57 N 1.35 -3.75 -1.63 -4.83 5.02 -0.93 -1.45 118.16 111.95 2kyi n LYS 57 Ca -0.22 0.59 -0.39 0.00 -2.02 0.00 0.00 58.31 56.26 2kyi n LYS 57 Cb 0.56 -4.95 -0.04 0.00 -0.02 0.00 0.00 35.03 30.57 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 -4.17 4.28 -4.57 -0.35 4.32 -0.69 -3.94 117.00 111.88 2kyi n LEU 58 Ca -0.24 -3.25 -0.42 0.00 -0.02 0.00 0.00 56.01 52.08 2kyi n LEU 58 Cb 0.66 -1.43 -0.04 0.00 -1.62 0.00 0.00 43.42 40.99 2kyi n LEU 58 CO 0.68 -0.51 1.90 0.61 -1.22 0.00 0.00 177.39 178.85 2kyi n GLY 59 N 4.90 0.71 2.49 -0.72 0.00 -0.54 -4.81 105.19 107.23 2kyi n GLY 59 Ca 0.49 0.77 -0.13 0.00 0.00 0.00 0.00 46.02 47.14 2kyi n GLY 59 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2kyi n ILE 60 N 7.76 0.70 0.75 -0.61 3.06 -1.26 -1.34 119.36 128.42 2kyi n ILE 60 Ca 0.34 -3.75 0.02 0.00 -2.50 0.00 0.00 62.75 56.86 2kyi n ILE 60 Cb 0.44 0.20 0.10 0.00 0.54 0.00 0.00 39.64 40.92 2kyi n ILE 60 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 2kyi n LYS 61 N 0.04 1.87 -3.25 9.51 4.81 -1.26 -4.45 118.16 125.43 2kyi n LYS 61 Ca 0.17 -0.80 -0.45 0.00 -0.87 0.00 0.00 58.31 56.36 2kyi n LYS 61 Cb 0.74 -1.55 -0.01 0.00 0.02 0.00 0.00 35.03 34.24 2kyi n LYS 61 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2kyi s HIS 62 N -1.54 3.95 -0.40 5.64 2.46 -1.26 -5.01 115.29 119.12 2kyi s HIS 62 Ca 0.14 -2.35 -0.15 0.00 0.47 0.00 0.00 55.06 53.17 2kyi s HIS 62 Cb 0.10 -3.94 0.02 0.00 -0.13 0.00 0.00 32.58 28.62 2kyi s HIS 62 CO 0.05 -1.07 0.30 -0.51 -2.47 0.00 0.00 174.74 171.05 2kyi s LEU 63 N -0.20 5.02 0.00 8.88 1.02 -1.26 -4.60 118.68 127.54 2kyi s LEU 63 Ca 0.30 -0.82 0.00 0.00 0.02 0.00 0.00 54.13 53.63 2kyi s LEU 63 Cb -0.08 -2.18 0.00 0.00 0.02 0.00 0.00 46.19 43.95 2kyi s LEU 63 CO -0.07 -0.44 0.00 -0.90 0.02 0.00 0.00 176.35 174.96 2kyi n ASP 64 N 5.19 0.00 -1.96 2.29 5.68 -1.26 -5.00 116.55 121.50 2kyi n ASP 64 Ca -0.11 0.00 -0.20 0.00 -0.50 0.00 0.00 54.79 53.98 2kyi n ASP 64 Cb 0.47 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.42 2kyi n ASP 64 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2kyi n LEU 65 N -0.81 -1.72 -0.04 -2.12 7.94 -1.26 -4.89 117.00 114.10 2kyi n LEU 65 Ca 0.00 0.18 -0.08 0.00 -1.11 0.00 0.00 56.01 54.99 2kyi n LEU 65 Cb 0.00 -2.77 -0.03 0.00 0.53 0.00 0.00 43.42 41.15 2kyi n LEU 65 CO 0.00 -0.53 0.84 0.50 -1.11 0.00 0.00 177.39 177.09 2kyi h LYS 66 N 0.00 0.02 -0.44 1.96 3.64 -1.94 -1.12 116.57 118.70 2kyi h LYS 66 Ca -0.44 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2kyi h LYS 66 Cb 1.32 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2kyi h LYS 66 CO 0.57 0.02 0.00 0.00 -2.27 0.00 0.00 179.45 177.76 2kyi n ALA 67 N -2.37 2.44 -3.54 5.00 0.00 -1.26 -4.93 120.51 115.84 2kyi n ALA 67 Ca -0.02 -0.89 -0.21 0.00 0.00 0.00 0.00 53.44 52.32 2kyi n ALA 67 Cb 0.12 -0.96 0.08 0.00 0.00 0.00 0.00 19.45 18.69 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 1.37 -0.44 3.14 0.00 0.00 -0.42 -4.80 105.19 104.03 2kyi n GLY 68 Ca 0.18 0.17 -0.09 0.00 0.00 0.00 0.00 46.02 46.28 2kyi n GLY 68 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kyi s GLN 69 N -5.84 0.76 -0.11 1.61 -2.07 -1.26 -0.80 119.66 111.95 2kyi s GLN 69 Ca 0.26 -1.31 -0.01 0.00 -1.82 0.00 0.00 55.36 52.49 2kyi s GLN 69 Cb -0.12 0.02 -0.03 0.00 -1.09 0.00 0.00 33.01 31.80 2kyi s GLN 69 CO 0.74 -0.09 -0.08 0.54 -1.32 0.00 0.00 175.29 175.08 2kyi s VAL 70 N -3.80 3.56 -0.24 3.63 0.11 0.66 -4.78 120.40 119.54 2kyi s VAL 70 Ca 0.12 -0.50 -0.01 0.00 -2.93 0.00 0.00 61.98 58.65 2kyi s VAL 70 Cb 0.07 -2.50 0.07 0.00 -1.53 0.00 0.00 36.38 32.50 2kyi s VAL 70 CO -0.06 0.55 0.03 -0.70 -3.33 0.00 0.00 175.10 171.59 2kyi s GLU 71 N -0.16 0.91 0.05 1.54 2.56 -1.26 -1.46 118.70 120.88 2kyi s GLU 71 Ca 0.01 -0.79 0.05 0.00 0.00 0.00 0.00 54.97 54.25 2kyi s GLU 71 Cb -0.13 -2.21 -0.02 0.00 2.00 0.00 0.00 34.13 33.77 2kyi s GLU 71 CO 0.03 -0.74 -0.14 0.14 -0.56 0.00 0.00 175.26 173.98 2kyi s VAL 72 N 1.66 1.10 -0.03 3.70 -7.23 -0.51 -4.57 120.40 114.51 2kyi s VAL 72 Ca 0.01 -1.06 0.01 0.00 -1.81 0.00 0.00 61.98 59.13 2kyi s VAL 72 Cb -0.18 -1.01 0.02 0.00 0.56 0.00 0.00 36.38 35.78 2kyi s VAL 72 CO -0.13 -0.05 -0.01 -1.83 -0.31 0.00 0.00 175.10 172.77 2kyi s GLU 73 N -1.26 0.34 0.00 4.82 1.03 -0.45 -0.06 118.70 123.13 2kyi s GLU 73 Ca 0.01 0.02 0.00 0.00 0.03 0.00 0.00 54.97 55.03 2kyi s GLU 73 Cb -0.08 -0.47 0.00 0.00 -0.80 0.00 0.00 34.13 32.78 2kyi s GLU 73 CO 0.01 -0.09 0.00 0.41 -1.33 0.00 0.00 175.26 174.27 2kyi n GLY 74 N 3.90 -1.24 3.50 -3.83 0.00 -0.98 -1.47 105.19 105.07 2kyi n GLY 74 Ca -0.24 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 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 4.51 0.31 0.99 1.43 -0.53 -1.43 118.68 123.96 2kyi s LEU 75 Ca 0.00 -2.22 -0.25 0.00 -1.03 0.00 0.00 54.13 50.64 2kyi s LEU 75 Cb 0.00 -2.47 -0.10 0.00 0.03 0.00 0.00 46.19 43.66 2kyi s LEU 75 CO 0.00 -1.10 0.90 0.27 0.23 0.00 0.00 176.35 176.65 2kyi s ILE 76 N 3.17 4.28 -0.18 -0.59 -4.36 -1.24 0.16 121.20 122.44 2kyi s ILE 76 Ca 0.42 1.72 -0.11 0.00 -0.26 0.00 0.00 60.65 62.41 2kyi s ILE 76 Cb -0.02 -3.97 -0.08 0.00 1.25 0.00 0.00 42.46 39.64 2kyi s ILE 76 CO -0.04 0.14 -0.27 -0.67 0.24 0.00 0.00 174.94 174.34 2kyi n ASP 77 N 0.56 1.54 -3.58 4.36 2.03 0.15 -4.89 116.55 116.73 2kyi n ASP 77 Ca 0.01 0.26 -0.15 0.00 0.52 0.00 0.00 54.79 55.44 2kyi n ASP 77 Cb 0.50 -0.62 -0.06 0.00 -0.72 0.00 0.00 41.12 40.22 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 -2.46 -1.38 -0.07 -1.67 0.00 -1.02 -4.99 121.76 110.17 2kyi s ALA 78 Ca -0.27 0.73 0.03 0.00 0.00 0.00 0.00 51.96 52.45 2kyi s ALA 78 Cb 0.09 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 2kyi s ALA 78 CO 0.36 -0.46 -0.18 -0.51 0.00 0.00 0.00 175.76 174.97 2kyi s LEU 79 N -1.76 2.50 -0.15 0.00 1.43 -1.26 -0.44 118.68 119.01 2kyi s LEU 79 Ca -0.07 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2kyi s LEU 79 Cb -0.01 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.72 2kyi s LEU 79 CO 0.01 0.26 -0.18 -0.69 0.23 0.00 0.00 176.35 175.98 2kyi s VAL 80 N -0.25 1.82 -0.28 -1.59 1.01 0.64 -4.97 120.40 116.78 2kyi s VAL 80 Ca 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.18 2kyi s VAL 80 Cb -0.13 -1.65 0.08 0.00 0.00 0.00 0.00 36.38 34.68 2kyi s VAL 80 CO 0.03 0.50 0.03 -0.47 0.00 0.00 0.00 175.10 175.19 2kyi s TYR 81 N 1.15 2.40 0.46 5.22 6.14 -1.26 -0.23 117.35 131.23 2kyi s TYR 81 Ca -0.01 -1.98 -0.23 0.00 0.64 0.00 0.00 57.07 55.49 2kyi s TYR 81 Cb -0.14 -1.90 -0.07 0.00 0.42 0.00 0.00 41.96 40.26 2kyi s TYR 81 CO -0.07 -0.84 1.20 -2.14 0.64 0.00 0.00 175.55 174.34 2kyi s PRO 82 N 1.38 3.72 0.00 4.97 0.02 -1.26 -5.03 135.00 138.81 2kyi s PRO 82 Ca 0.04 1.88 0.00 0.00 0.02 0.00 0.00 61.00 62.93 2kyi s PRO 82 Cb -0.18 -2.44 0.00 0.00 0.02 0.00 0.00 34.50 31.90 2kyi s PRO 82 CO -0.13 -0.61 0.00 1.28 -0.33 0.00 0.00 177.00 177.21 2kyi n LEU 83 N -0.46 0.08 -2.22 -5.54 4.77 -1.26 -4.76 117.00 107.61 2kyi n LEU 83 Ca 0.07 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.80 2kyi n LEU 83 Cb 0.47 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.73 2kyi n LEU 83 CO 0.49 0.00 1.30 -0.62 -1.33 0.00 0.00 177.39 177.23 2kyi n GLU 84 N -0.42 2.30 -2.36 3.23 1.02 -1.26 -4.73 120.64 118.42 2kyi n GLU 84 Ca 0.00 -3.06 -0.42 0.00 -0.02 0.00 0.00 57.16 53.66 2kyi n GLU 84 Cb 0.00 -2.19 -0.00 0.00 -0.02 0.00 0.00 31.44 29.23 2kyi n GLU 84 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2kyi n HIS 85 N -1.12 4.33 -1.43 -0.32 -0.00 -1.26 -4.93 115.22 110.50 2kyi n HIS 85 Ca 0.60 -2.82 -0.61 0.00 0.46 0.00 0.00 57.72 55.35 2kyi n HIS 85 Cb 1.52 -2.61 -0.11 0.00 -0.12 0.00 0.00 29.99 28.67 2kyi n HIS 85 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2kyi n HIS 86 N 8.05 1.43 -3.10 1.57 1.44 -1.26 -4.83 115.22 118.53 2kyi n HIS 86 Ca 0.50 0.79 -0.44 0.00 -2.01 0.00 0.00 57.72 56.55 2kyi n HIS 86 Cb 0.44 -2.32 0.00 0.00 0.12 0.00 0.00 29.99 28.24 2kyi n HIS 86 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kyi n HIS 87 N 6.75 4.40 0.00 -1.40 -0.00 -1.26 -4.59 115.22 119.13 2kyi n HIS 87 Ca 0.45 -3.43 0.00 0.00 -0.00 0.00 0.00 57.72 54.75 2kyi n HIS 87 Cb -0.00 -1.74 0.00 0.00 -0.00 0.00 0.00 29.99 28.25 2kyi n HIS 87 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kyi n HIS 88 N 3.15 0.00 0.00 1.57 8.25 -1.26 -5.13 115.22 121.80 2kyi n HIS 88 Ca 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 2kyi n HIS 88 Cb 0.38 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.49 2kyi n HIS 88 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kyi n HIS 89 N -0.54 0.00 1.48 4.41 -0.00 -1.26 -5.33 115.22 113.98 2kyi n HIS 89 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.86 2kyi n HIS 89 Cb 0.00 0.00 0.51 0.00 -0.00 0.00 0.00 29.99 30.50 2kyi n HIS 89 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92