#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4r s THR 9 N 0.00 4.20 -0.53 0.00 -1.32 0.16 -4.78 115.64 113.36 1b4r s THR 9 Ca 0.00 1.92 -0.16 0.00 -1.21 0.00 0.00 61.69 62.24 1b4r s THR 9 Cb 0.00 -4.24 0.13 0.00 -1.51 0.00 0.00 72.50 66.88 1b4r s THR 9 CO 0.00 0.49 0.49 -0.76 -2.21 0.00 0.00 174.62 172.63 1b4r s LEU 10 N -1.21 6.14 -0.25 9.08 1.02 -1.26 -1.79 118.68 130.41 1b4r s LEU 10 Ca 0.39 -1.77 -0.03 0.00 0.02 0.00 0.00 54.13 52.75 1b4r s LEU 10 Cb -0.24 -2.20 0.02 0.00 0.02 0.00 0.00 46.19 43.78 1b4r s LEU 10 CO 0.29 -0.84 -0.04 -0.69 0.02 0.00 0.00 176.35 175.09 1b4r s VAL 11 N 1.59 3.09 -0.65 -1.59 1.01 -0.55 -5.01 120.40 118.29 1b4r s VAL 11 Ca 0.03 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.20 1b4r s VAL 11 Cb -0.30 -2.53 0.23 0.00 0.00 0.00 0.00 36.38 33.79 1b4r s VAL 11 CO 0.03 0.24 0.68 0.61 0.00 0.00 0.00 175.10 176.66 1b4r n GLY 12 N 4.72 4.54 3.78 4.51 0.00 -1.26 0.25 105.19 121.73 1b4r n GLY 12 Ca -0.17 -2.68 -0.36 0.00 0.00 0.00 0.00 46.02 42.81 1b4r n GLY 12 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b4r s PRO 13 N -2.17 3.75 0.00 1.61 0.04 -0.72 -4.80 135.00 132.71 1b4r s PRO 13 Ca 0.36 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1b4r s PRO 13 Cb 0.10 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1b4r s PRO 13 CO -0.05 -0.53 0.00 0.72 0.04 0.00 0.00 177.00 177.18 1b4r n HIS 14 N -0.63 0.00 0.00 0.56 8.25 -1.26 -1.86 115.22 120.27 1b4r n HIS 14 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1b4r n HIS 14 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1b4r n HIS 14 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b4r n GLY 15 N -1.42 0.09 3.81 -1.41 0.00 -1.26 -4.99 105.19 100.01 1b4r n GLY 15 Ca 0.00 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.42 1b4r n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b4r s PRO 16 N 0.00 3.80 -0.72 1.61 0.04 -1.26 -5.01 135.00 133.47 1b4r s PRO 16 Ca 0.00 1.20 -0.10 0.00 0.04 0.00 0.00 61.00 62.14 1b4r s PRO 16 Cb 0.00 -2.10 0.19 0.00 0.04 0.00 0.00 34.50 32.62 1b4r s PRO 16 CO 0.00 -0.41 0.61 -0.51 0.04 0.00 0.00 177.00 176.73 1b4r s LEU 17 N -3.77 6.14 0.62 -3.56 1.43 -1.26 -4.96 118.68 113.32 1b4r s LEU 17 Ca 0.64 -2.64 -0.03 0.00 -1.03 0.00 0.00 54.13 51.07 1b4r s LEU 17 Cb -0.14 -2.07 0.04 0.00 0.03 0.00 0.00 46.19 44.05 1b4r s LEU 17 CO 0.25 -0.53 0.89 0.00 0.23 0.00 0.00 176.35 177.19 1b4r s ALA 18 N 0.25 3.48 -0.22 4.21 0.00 -1.26 -1.19 121.76 127.03 1b4r s ALA 18 Ca 0.16 -1.06 -0.33 0.00 0.00 0.00 0.00 51.96 50.73 1b4r s ALA 18 Cb -0.16 -2.38 -0.10 0.00 0.00 0.00 0.00 23.12 20.49 1b4r s ALA 18 CO -0.06 -0.99 2.09 0.45 0.00 0.00 0.00 175.76 177.25 1b4r n SER 19 N -2.63 2.92 -0.12 0.00 2.88 0.18 -1.45 113.62 115.41 1b4r n SER 19 Ca 0.07 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 1b4r n SER 19 Cb 0.60 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 1b4r n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1b4r n GLY 20 N 5.57 1.08 3.69 0.46 0.00 0.49 -4.92 105.19 111.57 1b4r n GLY 20 Ca 0.31 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1b4r n GLY 20 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1b4r s GLN 21 N -1.53 2.74 -0.59 1.61 2.00 0.68 -4.93 119.66 119.64 1b4r s GLN 21 Ca 0.00 -0.67 -0.07 0.00 -2.00 0.00 0.00 55.36 52.62 1b4r s GLN 21 Cb 0.00 -2.64 0.15 0.00 0.80 0.00 0.00 33.01 31.32 1b4r s GLN 21 CO 0.00 0.60 0.44 -1.17 -0.50 0.00 0.00 175.29 174.66 1b4r s LEU 22 N -1.79 5.65 0.63 3.68 1.98 -1.26 -0.99 118.68 126.57 1b4r s LEU 22 Ca 0.22 -2.45 -0.12 0.00 -2.89 0.00 0.00 54.13 48.89 1b4r s LEU 22 Cb -0.12 -1.96 -0.03 0.00 0.66 0.00 0.00 46.19 44.74 1b4r s LEU 22 CO 0.13 -0.52 1.04 0.00 -1.89 0.00 0.00 176.35 175.10 1b4r s ALA 23 N 0.55 2.91 -0.17 5.97 0.00 0.61 -4.79 121.76 126.84 1b4r s ALA 23 Ca 0.13 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.16 1b4r s ALA 23 Cb -0.21 -3.13 0.02 0.00 0.00 0.00 0.00 23.12 19.80 1b4r s ALA 23 CO -0.04 -0.82 -0.17 0.00 0.00 0.00 0.00 175.76 174.74 1b4r s ALA 24 N -2.97 2.14 0.42 0.00 0.00 -0.78 0.28 121.76 120.86 1b4r s ALA 24 Ca 0.58 -1.12 0.08 0.00 0.00 0.00 0.00 51.96 51.49 1b4r s ALA 24 Cb -0.12 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.83 1b4r s ALA 24 CO 0.49 -0.42 0.41 -0.06 0.00 0.00 0.00 175.76 176.18 1b4r s PHE 25 N 1.36 2.67 -0.22 0.00 0.40 0.91 -1.75 117.98 121.36 1b4r s PHE 25 Ca 0.04 -0.50 -0.27 0.00 -0.60 0.00 0.00 56.93 55.61 1b4r s PHE 25 Cb -0.13 -2.19 0.10 0.00 0.51 0.00 0.00 43.02 41.31 1b4r s PHE 25 CO -0.12 -0.18 0.88 -3.38 0.70 0.00 0.00 175.22 173.13 1b4r s HIS 26 N -2.47 -0.57 0.16 0.36 -3.43 0.14 -1.25 115.29 108.23 1b4r s HIS 26 Ca 0.49 1.26 0.06 0.00 -0.80 0.00 0.00 55.06 56.07 1b4r s HIS 26 Cb -0.04 0.36 -0.04 0.00 -1.43 0.00 0.00 32.58 31.43 1b4r s HIS 26 CO 0.28 -0.36 0.04 0.42 -2.00 0.00 0.00 174.74 173.13 1b4r s ILE 27 N -0.23 3.97 -0.14 -5.38 -1.09 0.68 -1.48 121.20 117.53 1b4r s ILE 27 Ca -0.01 -1.27 -0.03 0.00 -2.23 0.00 0.00 60.65 57.11 1b4r s ILE 27 Cb -0.03 -2.99 0.05 0.00 -1.58 0.00 0.00 42.46 37.90 1b4r s ILE 27 CO 0.00 -0.08 0.04 0.00 -1.23 0.00 0.00 174.94 173.68 1b4r s ALA 28 N -1.68 0.71 0.03 9.38 0.00 -0.74 -4.79 121.76 124.68 1b4r s ALA 28 Ca 0.28 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1b4r s ALA 28 Cb -0.10 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.04 1b4r s ALA 28 CO 0.20 -0.94 0.00 0.00 0.00 0.00 0.00 175.76 175.02 1b4r n ALA 29 N 5.16 0.00 -1.45 0.00 0.00 -1.26 0.38 120.51 123.33 1b4r n ALA 29 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.97 1b4r n ALA 29 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 1b4r n ALA 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1b4r n PRO 30 N -2.79 3.46 0.00 0.00 -0.04 -1.26 -4.86 135.00 129.51 1b4r n PRO 30 Ca 0.00 -2.34 0.00 0.00 -0.04 0.00 0.00 63.50 61.12 1b4r n PRO 30 Cb 0.00 -2.95 0.00 0.00 -0.04 0.00 0.00 33.50 30.51 1b4r n PRO 30 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1b4r n LEU 31 N 4.31 0.00 -3.84 1.53 4.32 -1.26 -1.58 117.00 120.49 1b4r n LEU 31 Ca 0.70 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 56.28 1b4r n LEU 31 Cb 0.28 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.06 1b4r n LEU 31 CO 0.87 0.00 2.42 -0.81 -1.22 0.00 0.00 177.39 178.65 1b4r n PRO 32 N -2.03 2.52 -3.63 3.23 -0.04 -1.26 -4.94 135.00 128.84 1b4r n PRO 32 Ca 0.00 -2.50 -0.37 0.00 -0.04 0.00 0.00 63.50 60.60 1b4r n PRO 32 Cb 0.00 -3.24 -0.07 0.00 -0.04 0.00 0.00 33.50 30.15 1b4r n PRO 32 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1b4r s VAL 33 N 4.07 5.30 -0.15 0.52 1.01 -0.61 -4.65 120.40 125.88 1b4r s VAL 33 Ca 0.51 0.51 0.09 0.00 0.00 0.00 0.00 61.98 63.09 1b4r s VAL 33 Cb 0.12 -3.58 -0.13 0.00 0.00 0.00 0.00 36.38 32.79 1b4r s VAL 33 CO -0.01 0.50 0.26 1.07 0.00 0.00 0.00 175.10 176.92 1b4r n THR 34 N 2.72 0.00 -3.64 3.92 5.66 -1.20 -4.35 114.28 117.39 1b4r n THR 34 Ca -0.15 -0.24 -0.02 0.00 -3.05 0.00 0.00 64.05 60.60 1b4r n THR 34 Cb 0.53 0.52 -0.04 0.00 -1.55 0.00 0.00 70.33 69.79 1b4r n THR 34 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1b4r s ALA 35 N -2.38 -2.12 -0.01 1.79 0.00 -1.22 -0.67 121.76 117.15 1b4r s ALA 35 Ca -0.01 1.89 0.01 0.00 0.00 0.00 0.00 51.96 53.85 1b4r s ALA 35 Cb 0.06 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.72 1b4r s ALA 35 CO 0.38 -0.26 -0.02 -0.08 0.00 0.00 0.00 175.76 175.78 1b4r s THR 36 N -1.07 0.19 -0.56 0.00 -1.32 -0.43 -0.66 115.64 111.80 1b4r s THR 36 Ca 0.09 -0.06 -0.22 0.00 -1.21 0.00 0.00 61.69 60.29 1b4r s THR 36 Cb -0.01 -0.20 0.06 0.00 -1.51 0.00 0.00 72.50 70.84 1b4r s THR 36 CO -0.08 0.08 0.83 -0.13 -2.21 0.00 0.00 174.62 173.11 1b4r s ARG 37 N 0.19 3.21 0.82 7.08 3.00 0.18 -1.13 118.95 132.30 1b4r s ARG 37 Ca -0.02 -0.63 -0.06 0.00 0.00 0.00 0.00 55.73 55.02 1b4r s ARG 37 Cb -0.04 -4.11 0.16 0.00 0.00 0.00 0.00 34.95 30.96 1b4r s ARG 37 CO -0.00 -1.47 1.13 -1.58 0.00 0.00 0.00 175.30 173.38 1b4r s TRP 38 N 3.49 1.44 -0.28 -0.53 0.52 0.84 0.30 118.94 124.71 1b4r s TRP 38 Ca 0.23 -0.11 0.00 0.00 0.02 0.00 0.00 56.10 56.24 1b4r s TRP 38 Cb -0.16 -3.43 0.14 0.00 -1.15 0.00 0.00 33.47 28.88 1b4r s TRP 38 CO 0.14 -2.13 0.35 -0.51 0.02 0.00 0.00 176.95 174.82 1b4r s ASP 39 N -4.83 0.89 -0.11 2.95 1.01 0.83 0.45 116.67 117.88 1b4r s ASP 39 Ca 0.70 -0.41 -0.04 0.00 0.71 0.00 0.00 52.55 53.51 1b4r s ASP 39 Cb -0.04 0.85 -0.04 0.00 1.01 0.00 0.00 42.92 44.70 1b4r s ASP 39 CO 0.48 -0.36 0.10 -0.26 0.21 0.00 0.00 175.17 175.34 1b4r h PHE 40 N 8.21 0.00 0.00 4.23 0.04 -1.15 -2.58 116.94 125.70 1b4r h PHE 40 Ca -0.13 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.64 1b4r h PHE 40 Cb 1.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.26 1b4r h PHE 40 CO 0.24 0.15 0.00 0.41 -0.60 0.00 0.00 178.31 178.51 1b4r n GLY 41 N 1.75 0.71 0.00 -1.45 0.00 -0.54 -4.28 105.19 101.38 1b4r n GLY 41 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1b4r n GLY 41 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b4r n ASP 42 N 0.59 0.00 0.14 1.61 5.68 -1.26 -4.85 116.55 118.45 1b4r n ASP 42 Ca 0.00 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.41 1b4r n ASP 42 Cb 0.00 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.20 1b4r n ASP 42 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1b4r h GLY 43 N 0.00 0.00 -6.63 6.12 0.00 -1.96 -3.43 103.07 97.17 1b4r h GLY 43 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 1b4r h GLY 43 CO 0.00 0.00 -0.76 -0.56 0.00 0.00 0.00 176.54 175.22 1b4r s SER 44 N -5.18 1.08 0.00 0.19 0.01 -1.26 -5.09 113.70 103.45 1b4r s SER 44 Ca 0.07 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.25 1b4r s SER 44 Cb 0.10 -0.38 0.00 0.00 0.21 0.00 0.00 66.02 65.95 1b4r s SER 44 CO 0.68 -0.13 0.00 0.00 0.41 0.00 0.00 173.24 174.20 1b4r n ALA 45 N 4.56 0.00 -1.69 1.44 0.00 -1.26 -1.47 120.51 122.09 1b4r n ALA 45 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.89 1b4r n ALA 45 Cb 0.50 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.02 1b4r n ALA 45 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1b4r n GLU 46 N -0.30 1.06 -3.78 0.00 1.02 -1.26 -1.08 120.64 116.29 1b4r n GLU 46 Ca 0.00 0.42 -0.16 0.00 -0.02 0.00 0.00 57.16 57.40 1b4r n GLU 46 Cb 0.00 -2.42 -0.16 0.00 -0.02 0.00 0.00 31.44 28.84 1b4r n GLU 46 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1b4r s VAL 47 N -1.42 -0.03 -0.67 2.62 1.01 0.17 -4.76 120.40 117.32 1b4r s VAL 47 Ca 0.80 0.22 -0.07 0.00 0.00 0.00 0.00 61.98 62.94 1b4r s VAL 47 Cb -0.39 -0.11 0.17 0.00 0.00 0.00 0.00 36.38 36.05 1b4r s VAL 47 CO 0.43 0.11 0.53 -1.81 0.00 0.00 0.00 175.10 174.35 1b4r s ASP 48 N 1.18 5.75 0.21 3.32 1.01 -1.26 -0.11 116.67 126.76 1b4r s ASP 48 Ca -0.08 -2.71 0.00 0.00 0.71 0.00 0.00 52.55 50.48 1b4r s ASP 48 Cb -0.13 -1.98 -0.04 0.00 1.01 0.00 0.00 42.92 41.78 1b4r s ASP 48 CO -0.03 -0.46 0.39 0.00 0.21 0.00 0.00 175.17 175.28 1b4r s ALA 49 N 0.16 3.85 0.22 5.23 0.00 -0.29 -4.97 121.76 125.96 1b4r s ALA 49 Ca 0.16 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 51.14 1b4r s ALA 49 Cb -0.18 -1.95 -0.06 0.00 0.00 0.00 0.00 23.12 20.93 1b4r s ALA 49 CO -0.05 0.39 0.50 0.00 0.00 0.00 0.00 175.76 176.60 1b4r s ALA 50 N -1.91 3.65 0.00 0.00 0.00 -1.23 -1.31 121.76 120.96 1b4r s ALA 50 Ca 0.38 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.91 1b4r s ALA 50 Cb -0.11 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1b4r s ALA 50 CO 0.30 0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.97 1b4r n GLY 51 N -0.24 0.70 1.87 0.00 0.00 0.16 -1.94 105.19 105.74 1b4r n GLY 51 Ca -0.01 -0.84 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 1b4r n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b4r n PRO 52 N 0.00 1.71 -3.90 1.61 -0.04 -1.26 -2.83 135.00 130.28 1b4r n PRO 52 Ca 0.00 -1.31 -0.10 0.00 -0.04 0.00 0.00 63.50 62.05 1b4r n PRO 52 Cb 0.00 -1.55 -0.10 0.00 -0.04 0.00 0.00 33.50 31.81 1b4r n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1b4r s ALA 53 N -1.36 -0.19 0.00 0.55 0.00 -0.82 -0.23 121.76 119.72 1b4r s ALA 53 Ca 0.29 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1b4r s ALA 53 Cb 0.21 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.47 1b4r s ALA 53 CO -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 175.76 175.53 1b4r n ALA 54 N 1.42 0.00 -3.15 0.00 0.00 -0.38 -3.53 120.51 114.87 1b4r n ALA 54 Ca -0.23 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 1b4r n ALA 54 Cb 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.94 1b4r n ALA 54 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1b4r s SER 55 N -0.50 -0.27 -0.10 0.00 1.04 -1.26 -0.06 113.70 112.56 1b4r s SER 55 Ca 0.00 -0.00 0.01 0.00 0.48 0.00 0.00 55.95 56.44 1b4r s SER 55 Cb 0.00 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.51 1b4r s SER 55 CO 0.00 -0.64 -0.13 -1.00 0.98 0.00 0.00 173.24 172.45 1b4r s HIS 56 N -2.38 2.79 -0.83 5.02 3.76 0.14 -4.86 115.29 118.94 1b4r s HIS 56 Ca -0.06 -0.43 -0.09 0.00 -0.15 0.00 0.00 55.06 54.34 1b4r s HIS 56 Cb -0.01 -1.77 0.21 0.00 1.11 0.00 0.00 32.58 32.12 1b4r s HIS 56 CO -0.02 -0.04 0.74 -0.98 -0.85 0.00 0.00 174.74 173.59 1b4r s ARG 57 N -0.07 3.39 -0.17 1.40 3.03 -1.26 -0.28 118.95 124.98 1b4r s ARG 57 Ca -0.02 -2.72 -0.21 0.00 2.03 0.00 0.00 55.73 54.81 1b4r s ARG 57 Cb -0.14 -4.20 -0.03 0.00 -1.03 0.00 0.00 34.95 29.55 1b4r s ARG 57 CO 0.04 -1.25 0.61 0.71 -1.13 0.00 0.00 175.30 174.27 1b4r s TYR 58 N -0.35 3.42 -0.06 5.89 2.02 -0.16 -4.00 117.35 124.10 1b4r s TYR 58 Ca 0.21 0.95 0.03 0.00 -0.37 0.00 0.00 57.07 57.89 1b4r s TYR 58 Cb -0.12 -2.75 -0.06 0.00 -0.40 0.00 0.00 41.96 38.63 1b4r s TYR 58 CO -0.08 -0.08 -0.02 0.28 -1.57 0.00 0.00 175.55 174.08 1b4r n VAL 59 N 4.40 0.39 -3.39 0.71 0.31 -1.26 -0.23 118.33 119.26 1b4r n VAL 59 Ca -0.02 -0.20 -0.35 0.00 -0.01 0.00 0.00 64.34 63.76 1b4r n VAL 59 Cb 0.50 -0.81 -0.06 0.00 -0.91 0.00 0.00 33.84 32.57 1b4r n VAL 59 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1b4r s LEU 60 N -4.86 4.31 -0.08 7.52 0.20 -1.26 -3.05 118.68 121.46 1b4r s LEU 60 Ca -0.06 1.02 -0.30 0.00 0.69 0.00 0.00 54.13 55.48 1b4r s LEU 60 Cb 0.02 -3.32 -0.02 0.00 -0.43 0.00 0.00 46.19 42.44 1b4r s LEU 60 CO 0.20 0.08 1.10 -2.16 -0.29 0.00 0.00 176.35 175.28 1b4r s PRO 61 N -2.12 4.39 0.00 0.98 0.04 -1.26 -4.78 135.00 132.25 1b4r s PRO 61 Ca 0.39 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1b4r s PRO 61 Cb -0.14 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 30.86 1b4r s PRO 61 CO 0.19 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.27 1b4r n GLY 62 N 3.22 -0.21 3.40 0.56 0.00 0.43 -4.95 105.19 107.63 1b4r n GLY 62 Ca 0.10 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 1b4r n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b4r s ARG 63 N -2.00 3.01 0.12 1.61 3.00 -1.26 0.26 118.95 123.69 1b4r s ARG 63 Ca 0.00 -0.71 0.09 0.00 0.00 0.00 0.00 55.73 55.11 1b4r s ARG 63 Cb 0.00 -2.50 -0.04 0.00 0.00 0.00 0.00 34.95 32.41 1b4r s ARG 63 CO 0.00 0.37 -0.17 0.71 0.00 0.00 0.00 175.30 176.21 1b4r s TYR 64 N -0.07 2.56 -0.18 -0.53 1.51 -0.33 -4.93 117.35 115.38 1b4r s TYR 64 Ca -0.03 -0.25 -0.07 0.00 -1.01 0.00 0.00 57.07 55.71 1b4r s TYR 64 Cb -0.14 -1.35 -0.04 0.00 -0.11 0.00 0.00 41.96 40.32 1b4r s TYR 64 CO 0.04 0.39 0.06 -1.58 -1.11 0.00 0.00 175.55 173.35 1b4r s HIS 65 N -1.17 3.24 0.18 2.71 5.65 -1.26 -1.35 115.29 123.29 1b4r s HIS 65 Ca 0.18 0.05 0.08 0.00 0.25 0.00 0.00 55.06 55.62 1b4r s HIS 65 Cb -0.11 -2.08 -0.04 0.00 -1.18 0.00 0.00 32.58 29.17 1b4r s HIS 65 CO 0.11 0.13 0.00 0.08 -0.65 0.00 0.00 174.74 174.41 1b4r s VAL 66 N 0.41 3.70 0.09 0.89 1.01 0.63 -4.52 120.40 122.60 1b4r s VAL 66 Ca 0.03 -1.47 -0.12 0.00 0.00 0.00 0.00 61.98 60.41 1b4r s VAL 66 Cb -0.12 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.40 1b4r s VAL 66 CO 0.00 -0.14 0.29 0.42 0.00 0.00 0.00 175.10 175.67 1b4r s THR 67 N -1.79 0.10 -0.22 3.92 -4.23 -0.97 -0.39 115.64 112.07 1b4r s THR 67 Ca 0.28 -0.86 -0.09 0.00 -1.18 0.00 0.00 61.69 59.84 1b4r s THR 67 Cb -0.09 -1.17 0.09 0.00 1.34 0.00 0.00 72.50 72.66 1b4r s THR 67 CO 0.19 -0.47 0.48 0.00 -0.54 0.00 0.00 174.62 174.28 1b4r s ALA 68 N -3.48 -1.34 -0.20 3.99 0.00 -0.59 -0.12 121.76 120.02 1b4r s ALA 68 Ca 0.02 1.74 -0.14 0.00 0.00 0.00 0.00 51.96 53.57 1b4r s ALA 68 Cb 0.02 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 1b4r s ALA 68 CO -0.09 -0.63 0.33 0.08 0.00 0.00 0.00 175.76 175.45 1b4r s VAL 69 N 2.26 5.26 0.13 0.00 1.01 0.15 0.61 120.40 129.82 1b4r s VAL 69 Ca -0.05 0.57 -0.18 0.00 0.00 0.00 0.00 61.98 62.31 1b4r s VAL 69 Cb -0.10 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 1b4r s VAL 69 CO -0.14 0.31 0.60 -0.76 0.00 0.00 0.00 175.10 175.11 1b4r s LEU 70 N 1.03 4.44 -0.21 3.92 2.01 -0.50 0.50 118.68 129.87 1b4r s LEU 70 Ca 0.16 1.26 -0.01 0.00 0.01 0.00 0.00 54.13 55.55 1b4r s LEU 70 Cb -0.14 -3.16 0.06 0.00 0.01 0.00 0.00 46.19 42.96 1b4r s LEU 70 CO 0.06 0.17 -0.00 0.00 1.01 0.00 0.00 176.35 177.59 1b4r s ALA 71 N -1.30 1.41 -0.67 4.21 0.00 0.17 -3.31 121.76 122.26 1b4r s ALA 71 Ca 0.35 -0.96 0.15 0.00 0.00 0.00 0.00 51.96 51.50 1b4r s ALA 71 Cb -0.18 -1.27 -0.17 0.00 0.00 0.00 0.00 23.12 21.49 1b4r s ALA 71 CO 0.20 -1.15 0.63 1.28 0.00 0.00 0.00 175.76 176.72 1b4r n LEU 72 N 4.89 0.67 0.00 0.00 4.32 -0.42 -3.25 117.00 123.21 1b4r n LEU 72 Ca -0.10 -0.46 0.00 0.00 -0.02 0.00 0.00 56.01 55.43 1b4r n LEU 72 Cb 0.46 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 1b4r n LEU 72 CO 0.15 0.17 0.00 0.61 -1.22 0.00 0.00 177.39 177.10 1b4r n GLY 73 N 1.38 3.12 0.00 -0.72 0.00 -1.26 -4.63 105.19 103.09 1b4r n GLY 73 Ca 0.02 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1b4r n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b4r n ALA 74 N 0.00 2.25 -2.46 4.61 0.00 -1.26 -5.06 120.51 118.59 1b4r n ALA 74 Ca 0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 53.44 53.10 1b4r n ALA 74 Cb 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.36 1b4r n ALA 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1b4r s GLY 75 N -0.53 0.74 0.26 0.00 0.00 -1.26 -5.18 107.32 101.35 1b4r s GLY 75 Ca 0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 44.72 43.52 1b4r s GLY 75 CO 0.00 -1.08 0.39 -1.14 0.00 0.00 0.00 173.10 171.28 1b4r n SER 76 N -0.17 -1.11 -3.74 1.64 3.41 -1.26 -1.30 113.62 111.09 1b4r n SER 76 Ca -0.06 -2.30 -0.10 0.00 -0.26 0.00 0.00 58.87 56.15 1b4r n SER 76 Cb 0.63 2.01 -0.04 0.00 -0.26 0.00 0.00 64.21 66.55 1b4r n SER 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b4r s ALA 77 N -2.29 -0.90 -0.18 7.33 0.00 -1.21 -4.82 121.76 119.71 1b4r s ALA 77 Ca 0.19 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.92 1b4r s ALA 77 Cb -0.01 0.84 0.02 0.00 0.00 0.00 0.00 23.12 23.97 1b4r s ALA 77 CO 0.13 -0.79 -0.19 -1.17 0.00 0.00 0.00 175.76 173.75 1b4r s LEU 78 N -2.87 2.07 0.18 0.00 2.96 -1.26 -1.41 118.68 118.36 1b4r s LEU 78 Ca 0.09 -0.63 0.05 0.00 -0.22 0.00 0.00 54.13 53.42 1b4r s LEU 78 Cb -0.01 -1.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.22 1b4r s LEU 78 CO -0.03 -0.01 0.16 -0.22 -1.32 0.00 0.00 176.35 174.92 1b4r s LEU 79 N 1.32 3.82 -0.30 -0.68 1.98 0.20 -4.34 118.68 120.69 1b4r s LEU 79 Ca 0.05 -0.15 -0.01 0.00 -2.89 0.00 0.00 54.13 51.13 1b4r s LEU 79 Cb -0.13 -2.41 0.19 0.00 0.66 0.00 0.00 46.19 44.50 1b4r s LEU 79 CO -0.12 0.04 0.78 -0.83 -1.89 0.00 0.00 176.35 174.33 1b4r s GLY 80 N -3.28 -1.15 0.19 7.98 0.00 -1.25 -1.53 107.32 108.27 1b4r s GLY 80 Ca 0.31 1.43 0.01 0.00 0.00 0.00 0.00 44.72 46.48 1b4r s GLY 80 CO 0.24 3.87 0.06 -1.30 0.00 0.00 0.00 173.10 175.97 1b4r n THR 81 N 5.22 0.00 -3.75 0.90 -2.24 0.47 -4.90 114.28 109.98 1b4r n THR 81 Ca 0.07 -0.82 -0.13 0.00 -2.27 0.00 0.00 64.05 60.90 1b4r n THR 81 Cb 0.56 -0.05 -0.11 0.00 -2.10 0.00 0.00 70.33 68.64 1b4r n THR 81 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1b4r s ASP 82 N -2.06 -0.37 0.12 3.42 2.15 -1.26 -0.27 116.67 118.41 1b4r s ASP 82 Ca 0.05 0.71 0.08 0.00 0.43 0.00 0.00 52.55 53.81 1b4r s ASP 82 Cb -0.00 0.72 -0.04 0.00 -0.30 0.00 0.00 42.92 43.30 1b4r s ASP 82 CO 0.03 -0.12 -0.19 0.54 -0.17 0.00 0.00 175.17 175.25 1b4r s VAL 83 N 0.17 1.68 -0.63 1.11 0.11 -0.46 -4.94 120.40 117.45 1b4r s VAL 83 Ca -0.00 -1.66 0.02 0.00 -2.93 0.00 0.00 61.98 57.41 1b4r s VAL 83 Cb -0.02 -1.62 0.16 0.00 -1.53 0.00 0.00 36.38 33.37 1b4r s VAL 83 CO 0.01 -0.18 0.41 0.00 -3.33 0.00 0.00 175.10 172.00 1b4r s GLN 84 N -2.24 2.35 0.27 1.54 -2.07 -1.26 -1.19 119.66 117.05 1b4r s GLN 84 Ca 0.09 -2.88 -0.29 0.00 -1.82 0.00 0.00 55.36 50.46 1b4r s GLN 84 Cb -0.08 -3.49 -0.09 0.00 -1.09 0.00 0.00 33.01 28.26 1b4r s GLN 84 CO 0.05 -1.19 1.00 0.08 -1.32 0.00 0.00 175.29 173.91 1b4r s VAL 85 N -0.68 3.87 0.22 3.63 1.01 0.14 -4.70 120.40 123.88 1b4r s VAL 85 Ca 0.20 1.82 0.01 0.00 0.00 0.00 0.00 61.98 64.01 1b4r s VAL 85 Cb -0.17 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.08 1b4r s VAL 85 CO -0.06 0.39 0.08 -0.62 0.00 0.00 0.00 175.10 174.89 1b4r n GLU 86 N 1.21 1.33 0.00 2.72 1.02 -0.34 -0.43 120.64 126.15 1b4r n GLU 86 Ca -0.01 -1.46 0.00 0.00 -0.02 0.00 0.00 57.16 55.68 1b4r n GLU 86 Cb 0.47 0.28 0.00 0.00 -0.02 0.00 0.00 31.44 32.17 1b4r n GLU 86 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31