#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 4.68 -0.81 0.00 -1.32 0.18 -4.79 115.64 113.58 1b4r s THR 9 Ca 0.00 1.22 -0.15 0.00 -1.21 0.00 0.00 61.69 61.55 1b4r s THR 9 Cb 0.00 -3.89 0.19 0.00 -1.51 0.00 0.00 72.50 67.29 1b4r s THR 9 CO 0.00 0.43 0.81 -0.76 -2.21 0.00 0.00 174.62 172.89 1b4r s LEU 10 N -1.43 6.35 -0.30 9.08 1.02 -1.26 -1.80 118.68 130.35 1b4r s LEU 10 Ca 0.34 -2.45 -0.11 0.00 0.02 0.00 0.00 54.13 51.92 1b4r s LEU 10 Cb -0.19 -2.25 -0.03 0.00 0.02 0.00 0.00 46.19 43.74 1b4r s LEU 10 CO 0.20 -0.71 0.19 -0.69 0.02 0.00 0.00 176.35 175.37 1b4r s VAL 11 N 0.83 5.12 -0.59 -1.59 1.01 -0.31 -5.00 120.40 119.87 1b4r s VAL 11 Ca 0.19 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.15 1b4r s VAL 11 Cb -0.11 -3.52 0.23 0.00 0.00 0.00 0.00 36.38 32.97 1b4r s VAL 11 CO -0.07 0.14 0.63 0.61 0.00 0.00 0.00 175.10 176.41 1b4r n GLY 12 N 5.05 4.13 3.78 4.51 0.00 -1.26 0.40 105.19 121.81 1b4r n GLY 12 Ca -0.14 -2.42 -0.36 0.00 0.00 0.00 0.00 46.02 43.11 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 -1.88 3.83 0.00 1.61 0.04 -1.03 -4.62 135.00 132.95 1b4r s PRO 13 Ca 0.36 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1b4r s PRO 13 Cb 0.11 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1b4r s PRO 13 CO -0.07 -0.44 0.00 1.58 0.04 0.00 0.00 177.00 178.11 1b4r n HIS 14 N -0.64 0.00 0.00 0.56 -0.00 -1.26 -1.71 115.22 112.17 1b4r n HIS 14 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.80 1b4r n HIS 14 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.49 1b4r n HIS 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1b4r n GLY 15 N 0.00 0.58 3.80 1.57 0.00 -1.26 -4.95 105.19 104.92 1b4r n GLY 15 Ca 0.00 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 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 4.16 -0.31 1.61 0.04 -1.26 -5.03 135.00 134.20 1b4r s PRO 16 Ca 0.00 1.34 -0.04 0.00 0.04 0.00 0.00 61.00 62.34 1b4r s PRO 16 Cb 0.00 -2.38 0.04 0.00 0.04 0.00 0.00 34.50 32.21 1b4r s PRO 16 CO 0.00 -0.12 0.04 -0.51 0.04 0.00 0.00 177.00 176.45 1b4r s LEU 17 N -2.90 4.01 0.53 -3.56 1.43 -1.26 -5.06 118.68 111.87 1b4r s LEU 17 Ca 0.60 -1.16 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1b4r s LEU 17 Cb -0.17 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.30 1b4r s LEU 17 CO 0.21 -0.27 0.75 0.00 0.23 0.00 0.00 176.35 177.27 1b4r s ALA 18 N 1.33 3.85 0.07 4.21 0.00 -1.26 -1.18 121.76 128.78 1b4r s ALA 18 Ca -0.03 -1.25 -0.30 0.00 0.00 0.00 0.00 51.96 50.38 1b4r s ALA 18 Cb -0.19 -2.10 -0.09 0.00 0.00 0.00 0.00 23.12 20.73 1b4r s ALA 18 CO 0.01 -0.67 1.89 0.45 0.00 0.00 0.00 175.76 177.43 1b4r s SER 19 N -4.38 6.46 0.00 0.00 0.15 0.62 -2.70 113.70 113.85 1b4r s SER 19 Ca 0.55 2.68 0.00 0.00 0.70 0.00 0.00 55.95 59.88 1b4r s SER 19 Cb -0.10 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1b4r s SER 19 CO 0.38 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.41 1b4r n GLY 20 N 4.39 0.59 3.34 9.45 0.00 -0.24 -4.94 105.19 117.79 1b4r n GLY 20 Ca 0.19 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 1b4r n GLY 20 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b4r s GLN 21 N -2.53 1.32 -0.37 1.61 -1.52 0.33 -4.96 119.66 113.54 1b4r s GLN 21 Ca 0.00 -1.52 -0.03 0.00 -1.95 0.00 0.00 55.36 51.87 1b4r s GLN 21 Cb 0.00 -1.24 0.09 0.00 -0.22 0.00 0.00 33.01 31.64 1b4r s GLN 21 CO 0.00 0.23 0.14 -1.17 -0.25 0.00 0.00 175.29 174.24 1b4r s LEU 22 N -3.04 4.80 0.44 2.90 1.98 -1.26 -1.39 118.68 123.12 1b4r s LEU 22 Ca 0.20 -1.75 -0.10 0.00 -2.89 0.00 0.00 54.13 49.59 1b4r s LEU 22 Cb -0.03 -1.80 -0.06 0.00 0.66 0.00 0.00 46.19 44.96 1b4r s LEU 22 CO 0.07 -0.45 0.80 0.00 -1.89 0.00 0.00 176.35 174.89 1b4r s ALA 23 N 1.19 3.33 -0.28 5.97 0.00 0.21 -4.84 121.76 127.34 1b4r s ALA 23 Ca 0.04 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 51.79 1b4r s ALA 23 Cb -0.22 -2.73 0.07 0.00 0.00 0.00 0.00 23.12 20.24 1b4r s ALA 23 CO -0.03 -0.14 -0.07 0.00 0.00 0.00 0.00 175.76 175.52 1b4r s ALA 24 N -2.52 2.59 0.49 0.00 0.00 -0.69 0.20 121.76 121.83 1b4r s ALA 24 Ca 0.51 -1.91 0.03 0.00 0.00 0.00 0.00 51.96 50.59 1b4r s ALA 24 Cb -0.10 -1.66 0.02 0.00 0.00 0.00 0.00 23.12 21.37 1b4r s ALA 24 CO 0.36 -1.31 0.69 -0.06 0.00 0.00 0.00 175.76 175.43 1b4r s PHE 25 N 1.08 2.92 -0.25 0.00 0.40 0.19 -2.45 117.98 119.87 1b4r s PHE 25 Ca -0.04 -0.08 -0.26 0.00 -0.60 0.00 0.00 56.93 55.95 1b4r s PHE 25 Cb -0.20 -2.54 0.09 0.00 0.51 0.00 0.00 43.02 40.89 1b4r s PHE 25 CO -0.06 -0.62 0.86 -3.38 0.70 0.00 0.00 175.22 172.72 1b4r s HIS 26 N -2.59 -0.63 0.13 0.36 -3.43 0.16 -1.57 115.29 107.72 1b4r s HIS 26 Ca 0.54 1.49 0.05 0.00 -0.80 0.00 0.00 55.06 56.35 1b4r s HIS 26 Cb -0.10 0.33 -0.04 0.00 -1.43 0.00 0.00 32.58 31.34 1b4r s HIS 26 CO 0.36 -0.33 0.05 0.42 -2.00 0.00 0.00 174.74 173.24 1b4r s ILE 27 N 0.13 4.14 -0.07 -5.38 -1.09 0.36 -1.16 121.20 118.13 1b4r s ILE 27 Ca 0.00 -1.09 -0.01 0.00 -2.23 0.00 0.00 60.65 57.32 1b4r s ILE 27 Cb -0.04 -3.04 0.03 0.00 -1.58 0.00 0.00 42.46 37.82 1b4r s ILE 27 CO -0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 174.94 173.69 1b4r s ALA 28 N -1.55 0.70 0.02 9.38 0.00 -0.74 -4.78 121.76 124.79 1b4r s ALA 28 Ca 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1b4r s ALA 28 Cb -0.11 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.32 1b4r s ALA 28 CO 0.20 -0.38 0.00 0.00 0.00 0.00 0.00 175.76 175.58 1b4r n ALA 29 N 4.95 0.00 -1.49 0.00 0.00 -1.26 0.47 120.51 123.17 1b4r n ALA 29 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.94 1b4r n ALA 29 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.14 3.71 0.00 0.00 -0.04 -1.26 -4.87 135.00 130.40 1b4r n PRO 30 Ca 0.00 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 60.99 1b4r n PRO 30 Cb 0.00 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 30.61 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 3.68 0.00 -3.64 1.53 4.32 -1.26 -1.40 117.00 120.23 1b4r n LEU 31 Ca 0.72 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 56.30 1b4r n LEU 31 Cb 0.26 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.04 1b4r n LEU 31 CO 0.84 0.00 2.65 -0.81 -1.22 0.00 0.00 177.39 178.85 1b4r n PRO 32 N -1.14 2.65 -3.43 3.23 -0.04 -1.26 -4.95 135.00 130.06 1b4r n PRO 32 Ca 0.00 -2.35 -0.33 0.00 -0.04 0.00 0.00 63.50 60.78 1b4r n PRO 32 Cb 0.00 -3.12 -0.05 0.00 -0.04 0.00 0.00 33.50 30.28 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 3.45 4.94 -0.06 0.52 1.01 -0.49 -4.87 120.40 124.90 1b4r s VAL 33 Ca 0.51 0.55 0.06 0.00 0.00 0.00 0.00 61.98 63.11 1b4r s VAL 33 Cb 0.14 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.78 1b4r s VAL 33 CO -0.04 0.06 0.16 0.35 0.00 0.00 0.00 175.10 175.63 1b4r n THR 34 N 0.25 0.00 -3.63 3.92 -2.24 -1.24 -4.36 114.28 106.97 1b4r n THR 34 Ca -0.02 -0.18 -0.03 0.00 -2.27 0.00 0.00 64.05 61.55 1b4r n THR 34 Cb 0.52 0.48 -0.04 0.00 -2.10 0.00 0.00 70.33 69.19 1b4r n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b4r s ALA 35 N -2.27 -2.12 -0.01 6.98 0.00 -1.20 -0.12 121.76 123.03 1b4r s ALA 35 Ca -0.01 1.85 -0.01 0.00 0.00 0.00 0.00 51.96 53.79 1b4r s ALA 35 Cb 0.04 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 22.00 1b4r s ALA 35 CO 0.26 -0.33 0.02 -0.08 0.00 0.00 0.00 175.76 175.64 1b4r s THR 36 N -1.31 0.01 -0.48 0.00 -1.32 -0.48 -0.69 115.64 111.37 1b4r s THR 36 Ca 0.09 -0.06 -0.19 0.00 -1.21 0.00 0.00 61.69 60.31 1b4r s THR 36 Cb -0.01 -0.06 0.04 0.00 -1.51 0.00 0.00 72.50 70.96 1b4r s THR 36 CO -0.06 -0.03 0.61 -0.13 -2.21 0.00 0.00 174.62 172.80 1b4r s ARG 37 N -0.08 3.16 0.78 7.08 0.52 0.18 -0.96 118.95 129.62 1b4r s ARG 37 Ca -0.01 -0.72 -0.02 0.00 -0.52 0.00 0.00 55.73 54.46 1b4r s ARG 37 Cb -0.01 -4.04 0.16 0.00 0.52 0.00 0.00 34.95 31.58 1b4r s ARG 37 CO -0.00 -1.12 1.07 -1.58 0.02 0.00 0.00 175.30 173.69 1b4r s TRP 38 N 2.64 1.28 -0.28 -0.53 0.52 0.64 0.16 118.94 123.38 1b4r s TRP 38 Ca 0.17 -0.30 0.00 0.00 0.02 0.00 0.00 56.10 55.99 1b4r s TRP 38 Cb -0.17 -3.14 0.15 0.00 -1.15 0.00 0.00 33.47 29.15 1b4r s TRP 38 CO 0.14 -1.97 0.38 0.34 0.02 0.00 0.00 176.95 175.86 1b4r s ASP 39 N -4.82 0.61 -0.10 2.95 -1.08 0.12 0.52 116.67 114.86 1b4r s ASP 39 Ca 0.69 -0.32 -0.01 0.00 -0.52 0.00 0.00 52.55 52.39 1b4r s ASP 39 Cb -0.04 0.99 -0.01 0.00 -1.46 0.00 0.00 42.92 42.40 1b4r s ASP 39 CO 0.46 -0.35 0.02 -0.26 0.52 0.00 0.00 175.17 175.56 1b4r h PHE 40 N 8.19 0.00 0.00 -5.34 0.04 -1.20 -2.69 116.94 115.94 1b4r h PHE 40 Ca -0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.65 1b4r h PHE 40 Cb 1.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.27 1b4r h PHE 40 CO 0.24 0.03 0.00 0.41 -0.60 0.00 0.00 178.31 178.39 1b4r n GLY 41 N 1.77 0.73 0.00 -1.45 0.00 -0.54 -4.36 105.19 101.33 1b4r n GLY 41 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 0.90 0.00 0.18 1.61 5.68 -1.26 -4.86 116.55 118.79 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 0.13 0.00 -1.14 0.00 0.00 41.12 40.11 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 -6.20 6.12 0.00 -1.96 -3.44 103.07 97.59 1b4r h GLY 43 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.94 1b4r h GLY 43 CO 0.00 0.00 -0.77 -1.35 0.00 0.00 0.00 176.54 174.42 1b4r s SER 44 N -5.87 0.79 0.00 0.19 1.04 -1.26 -5.09 113.70 103.49 1b4r s SER 44 Ca 0.05 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1b4r s SER 44 Cb 0.07 -0.38 0.00 0.00 0.10 0.00 0.00 66.02 65.81 1b4r s SER 44 CO 0.70 -0.06 0.00 0.00 0.98 0.00 0.00 173.24 174.87 1b4r n ALA 45 N 3.99 0.00 -1.40 5.32 0.00 -1.26 -1.47 120.51 125.68 1b4r n ALA 45 Ca -0.25 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.83 1b4r n ALA 45 Cb 0.51 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.05 1b4r n ALA 45 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1b4r n GLU 46 N -0.19 0.59 -3.73 0.00 0.28 -1.26 -1.13 120.64 115.19 1b4r n GLU 46 Ca 0.00 0.26 -0.16 0.00 -0.16 0.00 0.00 57.16 57.10 1b4r n GLU 46 Cb 0.00 -2.32 -0.16 0.00 1.43 0.00 0.00 31.44 30.39 1b4r n GLU 46 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1b4r s VAL 47 N -1.77 -0.09 -0.70 3.84 1.01 0.18 -4.75 120.40 118.13 1b4r s VAL 47 Ca 0.75 0.27 -0.09 0.00 0.00 0.00 0.00 61.98 62.91 1b4r s VAL 47 Cb -0.35 -0.15 0.18 0.00 0.00 0.00 0.00 36.38 36.07 1b4r s VAL 47 CO 0.48 0.11 0.59 -1.81 0.00 0.00 0.00 175.10 174.47 1b4r s ASP 48 N 1.44 6.05 0.22 3.32 1.01 -1.26 -0.26 116.67 127.19 1b4r s ASP 48 Ca -0.05 -2.63 -0.01 0.00 0.71 0.00 0.00 52.55 50.57 1b4r s ASP 48 Cb -0.12 -2.05 -0.04 0.00 1.01 0.00 0.00 42.92 41.71 1b4r s ASP 48 CO -0.04 -0.52 0.42 0.00 0.21 0.00 0.00 175.17 175.24 1b4r s ALA 49 N 0.27 3.79 0.25 5.23 0.00 -0.14 -4.97 121.76 126.20 1b4r s ALA 49 Ca 0.15 -0.80 -0.05 0.00 0.00 0.00 0.00 51.96 51.26 1b4r s ALA 49 Cb -0.17 -2.05 -0.06 0.00 0.00 0.00 0.00 23.12 20.85 1b4r s ALA 49 CO -0.05 0.38 0.51 0.00 0.00 0.00 0.00 175.76 176.60 1b4r s ALA 50 N -1.93 3.65 0.00 0.00 0.00 -1.23 -1.38 121.76 120.88 1b4r s ALA 50 Ca 0.39 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1b4r s ALA 50 Cb -0.11 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.74 1b4r s ALA 50 CO 0.29 0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.83 1b4r n GLY 51 N -0.63 0.71 1.85 0.00 0.00 0.83 -1.95 105.19 106.00 1b4r n GLY 51 Ca -0.02 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.87 1.61 -0.04 -1.26 -2.70 135.00 130.45 1b4r n PRO 52 Ca 0.00 -1.38 -0.11 0.00 -0.04 0.00 0.00 63.50 61.97 1b4r n PRO 52 Cb 0.00 -1.54 -0.09 0.00 -0.04 0.00 0.00 33.50 31.83 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 -1.60 -0.31 -0.02 0.55 0.00 -0.82 -0.49 121.76 119.07 1b4r s ALA 53 Ca 0.27 -0.22 -0.28 0.00 0.00 0.00 0.00 51.96 51.73 1b4r s ALA 53 Cb 0.21 0.18 0.10 0.00 0.00 0.00 0.00 23.12 23.61 1b4r s ALA 53 CO -0.00 -0.27 0.83 0.00 0.00 0.00 0.00 175.76 176.32 1b4r s ALA 54 N -1.89 -1.80 0.28 0.00 0.00 -0.61 -3.50 121.76 114.23 1b4r s ALA 54 Ca -0.11 1.11 0.10 0.00 0.00 0.00 0.00 51.96 53.07 1b4r s ALA 54 Cb -0.05 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 1b4r s ALA 54 CO -0.01 -0.56 -0.03 -1.12 0.00 0.00 0.00 175.76 174.05 1b4r s SER 55 N -1.98 4.36 -0.05 0.00 0.01 -1.26 0.53 113.70 115.30 1b4r s SER 55 Ca -0.00 -0.75 0.04 0.00 1.31 0.00 0.00 55.95 56.55 1b4r s SER 55 Cb -0.01 -0.72 -0.02 0.00 0.21 0.00 0.00 66.02 65.48 1b4r s SER 55 CO -0.04 -0.03 -0.15 -1.00 0.41 0.00 0.00 173.24 172.43 1b4r s HIS 56 N -2.38 2.68 -0.52 2.43 3.76 0.13 -4.85 115.29 116.54 1b4r s HIS 56 Ca 0.32 -0.21 -0.04 0.00 -0.15 0.00 0.00 55.06 54.98 1b4r s HIS 56 Cb -0.05 -1.63 0.14 0.00 1.11 0.00 0.00 32.58 32.14 1b4r s HIS 56 CO 0.19 0.15 0.33 -0.98 -0.85 0.00 0.00 174.74 173.58 1b4r s ARG 57 N -0.65 2.33 -0.19 1.40 1.70 -1.26 -0.62 118.95 121.66 1b4r s ARG 57 Ca 0.10 -2.14 -0.11 0.00 -0.47 0.00 0.00 55.73 53.11 1b4r s ARG 57 Cb -0.11 -3.70 -0.05 0.00 -0.57 0.00 0.00 34.95 30.52 1b4r s ARG 57 CO 0.01 -1.14 0.17 0.71 -1.08 0.00 0.00 175.30 173.97 1b4r s TYR 58 N 0.62 3.42 -0.02 5.89 2.02 -0.49 -4.12 117.35 124.68 1b4r s TYR 58 Ca 0.12 0.39 0.02 0.00 -0.37 0.00 0.00 57.07 57.23 1b4r s TYR 58 Cb -0.22 -2.21 -0.03 0.00 -0.40 0.00 0.00 41.96 39.10 1b4r s TYR 58 CO -0.04 0.27 0.02 0.28 -1.57 0.00 0.00 175.55 174.51 1b4r n VAL 59 N 3.56 0.11 -3.88 0.71 0.31 -1.26 -0.51 118.33 117.37 1b4r n VAL 59 Ca -0.15 -0.08 -0.33 0.00 -0.01 0.00 0.00 64.34 63.77 1b4r n VAL 59 Cb 0.52 -0.65 -0.05 0.00 -0.91 0.00 0.00 33.84 32.75 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 -3.95 4.37 -0.10 7.52 0.20 -1.26 -3.10 118.68 122.36 1b4r s LEU 60 Ca -0.01 0.38 -0.30 0.00 0.69 0.00 0.00 54.13 54.89 1b4r s LEU 60 Cb 0.01 -2.68 -0.02 0.00 -0.43 0.00 0.00 46.19 43.07 1b4r s LEU 60 CO 0.09 0.25 1.11 -2.16 -0.29 0.00 0.00 176.35 175.35 1b4r s PRO 61 N -1.99 4.36 0.00 0.98 0.04 -1.26 -4.76 135.00 132.38 1b4r s PRO 61 Ca 0.28 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1b4r s PRO 61 Cb -0.13 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.84 1b4r s PRO 61 CO 0.19 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.21 1b4r n GLY 62 N 3.27 -0.50 3.07 0.56 0.00 0.53 -4.96 105.19 107.16 1b4r n GLY 62 Ca 0.10 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.92 2.66 0.14 1.61 0.52 -1.26 0.25 118.95 120.95 1b4r s ARG 63 Ca 0.00 -0.70 0.04 0.00 -0.52 0.00 0.00 55.73 54.55 1b4r s ARG 63 Cb 0.00 -2.34 -0.04 0.00 0.52 0.00 0.00 34.95 33.09 1b4r s ARG 63 CO 0.00 -0.22 0.17 0.71 0.02 0.00 0.00 175.30 175.98 1b4r s TYR 64 N 1.37 3.28 -0.14 -0.53 1.51 -0.13 -4.91 117.35 117.80 1b4r s TYR 64 Ca 0.05 0.06 -0.04 0.00 -1.01 0.00 0.00 57.07 56.13 1b4r s TYR 64 Cb -0.13 -1.59 -0.03 0.00 -0.11 0.00 0.00 41.96 40.10 1b4r s TYR 64 CO -0.12 0.53 -0.02 -1.58 -1.11 0.00 0.00 175.55 173.25 1b4r s HIS 65 N -1.66 3.08 0.12 2.71 2.46 -1.26 -1.30 115.29 119.43 1b4r s HIS 65 Ca 0.32 -0.12 0.08 0.00 0.47 0.00 0.00 55.06 55.80 1b4r s HIS 65 Cb -0.11 -1.93 -0.04 0.00 -0.13 0.00 0.00 32.58 30.37 1b4r s HIS 65 CO 0.25 0.12 -0.10 0.08 -2.47 0.00 0.00 174.74 172.61 1b4r s VAL 66 N 0.05 3.30 0.06 0.89 1.01 0.12 -4.57 120.40 121.25 1b4r s VAL 66 Ca 0.01 -1.36 -0.10 0.00 0.00 0.00 0.00 61.98 60.53 1b4r s VAL 66 Cb -0.13 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.70 1b4r s VAL 66 CO 0.02 0.07 0.22 0.42 0.00 0.00 0.00 175.10 175.83 1b4r s THR 67 N -1.30 0.11 0.06 3.92 -4.23 -1.01 -0.14 115.64 113.05 1b4r s THR 67 Ca 0.22 -0.93 -0.13 0.00 -1.18 0.00 0.00 61.69 59.67 1b4r s THR 67 Cb -0.11 -1.04 0.02 0.00 1.34 0.00 0.00 72.50 72.71 1b4r s THR 67 CO 0.14 -0.51 0.30 0.00 -0.54 0.00 0.00 174.62 174.00 1b4r s ALA 68 N -2.97 -0.65 -0.09 3.99 0.00 -0.57 0.10 121.76 121.58 1b4r s ALA 68 Ca -0.02 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1b4r s ALA 68 Cb 0.01 0.38 0.02 0.00 0.00 0.00 0.00 23.12 23.53 1b4r s ALA 68 CO -0.06 -0.45 -0.11 0.08 0.00 0.00 0.00 175.76 175.22 1b4r s VAL 69 N -2.86 1.15 0.19 0.00 1.01 0.12 0.32 120.40 120.34 1b4r s VAL 69 Ca -0.03 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.34 1b4r s VAL 69 Cb 0.00 -1.09 -0.08 0.00 0.00 0.00 0.00 36.38 35.22 1b4r s VAL 69 CO -0.05 0.37 0.65 -0.76 0.00 0.00 0.00 175.10 175.30 1b4r s LEU 70 N 1.08 4.34 -0.24 3.92 2.01 -0.35 0.49 118.68 129.94 1b4r s LEU 70 Ca -0.07 1.27 -0.02 0.00 0.01 0.00 0.00 54.13 55.32 1b4r s LEU 70 Cb -0.14 -3.43 0.07 0.00 0.01 0.00 0.00 46.19 42.70 1b4r s LEU 70 CO -0.01 0.07 0.05 0.00 1.01 0.00 0.00 176.35 177.46 1b4r s ALA 71 N -1.49 1.23 -0.77 4.21 0.00 0.14 -3.41 121.76 121.67 1b4r s ALA 71 Ca 0.40 -1.06 0.17 0.00 0.00 0.00 0.00 51.96 51.48 1b4r s ALA 71 Cb -0.16 -1.34 -0.19 0.00 0.00 0.00 0.00 23.12 21.43 1b4r s ALA 71 CO 0.20 -1.34 0.72 -0.11 0.00 0.00 0.00 175.76 175.23 1b4r n LEU 72 N 4.96 0.77 0.00 0.00 0.00 -0.04 -3.53 117.00 119.16 1b4r n LEU 72 Ca -0.07 -0.47 0.00 0.00 0.00 0.00 0.00 56.01 55.47 1b4r n LEU 72 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.87 1b4r n LEU 72 CO 0.13 0.19 0.00 0.61 0.00 0.00 0.00 177.39 178.32 1b4r n GLY 73 N 1.41 3.08 0.06 -3.96 0.00 -1.26 -4.59 105.19 99.94 1b4r n GLY 73 Ca 0.03 -0.86 0.01 0.00 0.00 0.00 0.00 46.02 45.20 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 2.43 -2.51 4.61 0.00 -1.26 -5.04 120.51 118.75 1b4r n ALA 74 Ca 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 53.44 53.05 1b4r n ALA 74 Cb 0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 19.45 19.26 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 -0.78 0.20 0.28 0.00 0.00 -1.26 -5.17 107.32 100.58 1b4r s GLY 75 Ca 0.02 -0.72 -0.01 0.00 0.00 0.00 0.00 44.72 44.02 1b4r s GLY 75 CO 0.08 -0.87 0.38 -1.14 0.00 0.00 0.00 173.10 171.55 1b4r n SER 76 N 0.23 -1.06 -3.64 1.64 3.41 -1.26 -0.86 113.62 112.08 1b4r n SER 76 Ca -0.16 -2.54 -0.10 0.00 -0.26 0.00 0.00 58.87 55.81 1b4r n SER 76 Cb 0.61 2.00 -0.03 0.00 -0.26 0.00 0.00 64.21 66.52 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 -2.58 -1.12 -0.10 7.33 0.00 -1.22 -4.82 121.76 119.26 1b4r s ALA 77 Ca 0.24 -0.00 0.03 0.00 0.00 0.00 0.00 51.96 52.22 1b4r s ALA 77 Cb -0.01 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 1b4r s ALA 77 CO 0.17 -0.77 -0.18 -0.51 0.00 0.00 0.00 175.76 174.47 1b4r s LEU 78 N -2.83 2.43 0.23 0.00 1.02 -1.26 -1.21 118.68 117.06 1b4r s LEU 78 Ca 0.06 -0.41 0.10 0.00 0.02 0.00 0.00 54.13 53.90 1b4r s LEU 78 Cb -0.01 -1.50 -0.04 0.00 0.02 0.00 0.00 46.19 44.66 1b4r s LEU 78 CO -0.07 0.20 -0.12 -0.22 0.02 0.00 0.00 176.35 176.16 1b4r s LEU 79 N 0.10 2.84 -0.32 1.79 1.98 0.15 -3.94 118.68 121.28 1b4r s LEU 79 Ca -0.09 -0.76 -0.03 0.00 -2.89 0.00 0.00 54.13 50.36 1b4r s LEU 79 Cb -0.15 -1.44 0.19 0.00 0.66 0.00 0.00 46.19 45.44 1b4r s LEU 79 CO 0.05 0.06 0.84 -0.83 -1.89 0.00 0.00 176.35 174.59 1b4r s GLY 80 N -3.21 -1.21 0.09 7.98 0.00 -1.25 -1.52 107.32 108.21 1b4r s GLY 80 Ca 0.27 1.32 0.00 0.00 0.00 0.00 0.00 44.72 46.31 1b4r s GLY 80 CO 0.15 3.95 0.03 -1.30 0.00 0.00 0.00 173.10 175.93 1b4r n THR 81 N 4.80 0.00 -3.72 0.90 -2.24 0.81 -4.91 114.28 109.92 1b4r n THR 81 Ca 0.08 -0.42 -0.14 0.00 -2.27 0.00 0.00 64.05 61.30 1b4r n THR 81 Cb 0.58 -0.10 -0.09 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.53 -0.32 -0.02 3.42 2.15 -1.26 0.10 116.67 119.22 1b4r s ASP 82 Ca 0.02 0.35 0.03 0.00 0.43 0.00 0.00 52.55 53.39 1b4r s ASP 82 Cb -0.00 0.47 -0.00 0.00 -0.30 0.00 0.00 42.92 43.09 1b4r s ASP 82 CO 0.01 -0.40 -0.10 0.54 -0.17 0.00 0.00 175.17 175.05 1b4r s VAL 83 N -0.94 0.84 -0.74 1.11 0.11 -0.42 -4.94 120.40 115.42 1b4r s VAL 83 Ca -0.10 -0.43 -0.09 0.00 -2.93 0.00 0.00 61.98 58.43 1b4r s VAL 83 Cb -0.04 -0.72 0.19 0.00 -1.53 0.00 0.00 36.38 34.29 1b4r s VAL 83 CO 0.04 0.25 0.62 -1.58 -3.33 0.00 0.00 175.10 171.10 1b4r s GLN 84 N -0.09 3.16 0.06 1.54 0.74 -1.26 -0.96 119.66 122.85 1b4r s GLN 84 Ca 0.01 -2.48 -0.30 0.00 0.05 0.00 0.00 55.36 52.65 1b4r s GLN 84 Cb -0.06 -4.13 -0.05 0.00 1.10 0.00 0.00 33.01 29.87 1b4r s GLN 84 CO -0.00 -1.24 1.10 0.08 -0.55 0.00 0.00 175.29 174.68 1b4r s VAL 85 N 0.10 4.31 0.02 1.34 1.01 0.14 -4.57 120.40 122.75 1b4r s VAL 85 Ca 0.17 1.71 0.06 0.00 0.00 0.00 0.00 61.98 63.91 1b4r s VAL 85 Cb -0.15 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 1b4r s VAL 85 CO -0.06 0.16 -0.14 -1.61 0.00 0.00 0.00 175.10 173.44 1b4r s GLU 86 N 0.82 2.26 0.00 2.72 2.02 -0.32 -0.34 118.70 125.85 1b4r s GLU 86 Ca 0.55 -0.87 0.28 0.00 0.02 0.00 0.00 54.97 54.94 1b4r s GLU 86 Cb -0.26 -2.30 0.96 0.00 0.10 0.00 0.00 34.13 32.62 1b4r s GLU 86 CO 0.30 0.57 1.69 0.00 0.02 0.00 0.00 175.26 177.83