#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 3.22 -0.60 0.00 -1.32 0.15 -4.60 115.64 112.50 1b4r s THR 9 Ca 0.00 0.82 -0.24 0.00 -1.21 0.00 0.00 61.69 61.06 1b4r s THR 9 Cb 0.00 -3.37 0.05 0.00 -1.51 0.00 0.00 72.50 67.67 1b4r s THR 9 CO 0.00 -0.10 1.00 -0.76 -2.21 0.00 0.00 174.62 172.55 1b4r s LEU 10 N -3.44 4.02 -0.33 9.08 1.02 -1.26 -1.76 118.68 126.01 1b4r s LEU 10 Ca 0.68 -0.48 0.01 0.00 0.02 0.00 0.00 54.13 54.36 1b4r s LEU 10 Cb -0.25 -2.73 0.08 0.00 0.02 0.00 0.00 46.19 43.31 1b4r s LEU 10 CO 0.29 -1.36 0.04 -0.69 0.02 0.00 0.00 176.35 174.65 1b4r s VAL 11 N 4.24 2.67 -0.72 -1.59 1.01 -0.11 -5.01 120.40 120.88 1b4r s VAL 11 Ca 0.30 -1.88 0.04 0.00 0.00 0.00 0.00 61.98 60.45 1b4r s VAL 11 Cb -0.13 -2.73 0.23 0.00 0.00 0.00 0.00 36.38 33.75 1b4r s VAL 11 CO 0.17 -0.37 0.73 0.61 0.00 0.00 0.00 175.10 176.24 1b4r n GLY 12 N 4.46 4.55 3.79 4.51 0.00 -1.26 0.67 105.19 121.91 1b4r n GLY 12 Ca -0.06 -2.70 -0.34 0.00 0.00 0.00 0.00 46.02 42.92 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 -2.11 3.46 0.00 1.61 0.04 -0.84 -4.68 135.00 132.49 1b4r s PRO 13 Ca 0.34 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1b4r s PRO 13 Cb 0.06 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1b4r s PRO 13 CO -0.06 -0.71 0.00 1.58 0.04 0.00 0.00 177.00 177.85 1b4r n HIS 14 N -1.51 0.00 0.00 0.56 -0.00 -1.26 -1.73 115.22 111.28 1b4r n HIS 14 Ca 0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.28 1b4r n HIS 14 Cb 0.52 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.39 1b4r n HIS 14 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1b4r n GLY 15 N 0.00 0.33 3.80 1.57 0.00 -1.26 -5.00 105.19 104.64 1b4r n GLY 15 Ca 0.00 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 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 4.18 -0.39 1.61 0.04 -1.26 -5.03 135.00 134.15 1b4r s PRO 16 Ca 0.00 1.27 -0.04 0.00 0.04 0.00 0.00 61.00 62.27 1b4r s PRO 16 Cb 0.00 -2.32 0.10 0.00 0.04 0.00 0.00 34.50 32.31 1b4r s PRO 16 CO 0.00 -0.08 0.18 -0.51 0.04 0.00 0.00 177.00 176.63 1b4r s LEU 17 N -2.97 5.03 0.55 -3.56 2.01 -1.26 -5.04 118.68 113.44 1b4r s LEU 17 Ca 0.61 -1.82 -0.04 0.00 0.01 0.00 0.00 54.13 52.89 1b4r s LEU 17 Cb -0.14 -1.84 0.01 0.00 0.01 0.00 0.00 46.19 44.22 1b4r s LEU 17 CO 0.19 -0.50 0.83 0.00 1.01 0.00 0.00 176.35 177.88 1b4r s ALA 18 N 1.21 3.45 -0.01 4.21 0.00 -1.26 -1.22 121.76 128.14 1b4r s ALA 18 Ca 0.05 -0.83 -0.33 0.00 0.00 0.00 0.00 51.96 50.85 1b4r s ALA 18 Cb -0.22 -2.45 -0.12 0.00 0.00 0.00 0.00 23.12 20.33 1b4r s ALA 18 CO -0.03 -0.69 1.85 0.45 0.00 0.00 0.00 175.76 177.34 1b4r n SER 19 N -2.44 3.58 -0.74 0.00 2.88 0.12 -2.17 113.62 114.85 1b4r n SER 19 Ca 0.04 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 1b4r n SER 19 Cb 0.58 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 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 4.26 0.57 3.39 0.46 0.00 -0.47 -4.93 105.19 108.47 1b4r n GLY 20 Ca 0.21 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.42 1.40 -0.55 1.61 2.00 0.65 -4.95 119.66 116.39 1b4r s GLN 21 Ca 0.00 -1.37 -0.08 0.00 -2.00 0.00 0.00 55.36 51.91 1b4r s GLN 21 Cb 0.00 -1.87 0.14 0.00 0.80 0.00 0.00 33.01 32.09 1b4r s GLN 21 CO 0.00 0.44 0.42 -1.17 -0.50 0.00 0.00 175.29 174.47 1b4r s LEU 22 N -2.15 5.74 0.56 3.68 1.98 -1.26 -1.18 118.68 126.06 1b4r s LEU 22 Ca 0.15 -2.22 -0.14 0.00 -2.89 0.00 0.00 54.13 49.02 1b4r s LEU 22 Cb -0.10 -2.00 -0.06 0.00 0.66 0.00 0.00 46.19 44.69 1b4r s LEU 22 CO 0.06 -0.61 1.01 0.00 -1.89 0.00 0.00 176.35 174.93 1b4r s ALA 23 N 0.89 3.03 -0.19 5.97 0.00 0.96 -4.84 121.76 127.59 1b4r s ALA 23 Ca 0.10 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.17 1b4r s ALA 23 Cb -0.23 -3.12 0.03 0.00 0.00 0.00 0.00 23.12 19.81 1b4r s ALA 23 CO -0.03 -0.48 -0.17 0.00 0.00 0.00 0.00 175.76 175.09 1b4r s ALA 24 N -2.82 2.29 0.53 0.00 0.00 -0.71 0.35 121.76 121.41 1b4r s ALA 24 Ca 0.58 -1.29 0.09 0.00 0.00 0.00 0.00 51.96 51.34 1b4r s ALA 24 Cb -0.11 -1.26 0.06 0.00 0.00 0.00 0.00 23.12 21.81 1b4r s ALA 24 CO 0.40 -0.57 0.67 -0.06 0.00 0.00 0.00 175.76 176.20 1b4r s PHE 25 N 1.29 1.76 -0.27 0.00 0.40 0.15 -1.98 117.98 119.33 1b4r s PHE 25 Ca 0.02 -0.67 -0.27 0.00 -0.60 0.00 0.00 56.93 55.41 1b4r s PHE 25 Cb -0.15 -2.19 0.16 0.00 0.51 0.00 0.00 43.02 41.36 1b4r s PHE 25 CO -0.11 -0.86 1.25 -3.38 0.70 0.00 0.00 175.22 172.82 1b4r s HIS 26 N -2.62 -0.21 0.16 0.36 -3.43 0.21 -1.42 115.29 108.34 1b4r s HIS 26 Ca 0.56 0.47 0.07 0.00 -0.80 0.00 0.00 55.06 55.36 1b4r s HIS 26 Cb -0.06 0.45 -0.04 0.00 -1.43 0.00 0.00 32.58 31.50 1b4r s HIS 26 CO 0.35 -0.13 -0.03 0.42 -2.00 0.00 0.00 174.74 173.34 1b4r s ILE 27 N -0.29 3.58 -0.08 -5.38 -1.09 0.49 -0.94 121.20 117.49 1b4r s ILE 27 Ca 0.05 -1.42 0.00 0.00 -2.23 0.00 0.00 60.65 57.06 1b4r s ILE 27 Cb -0.04 -2.77 0.02 0.00 -1.58 0.00 0.00 42.46 38.10 1b4r s ILE 27 CO -0.09 -0.06 -0.06 0.00 -1.23 0.00 0.00 174.94 173.50 1b4r s ALA 28 N -1.62 1.06 0.00 9.38 0.00 -0.72 -4.76 121.76 125.09 1b4r s ALA 28 Ca 0.26 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1b4r s ALA 28 Cb -0.10 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.30 1b4r s ALA 28 CO 0.17 -0.26 0.00 0.00 0.00 0.00 0.00 175.76 175.67 1b4r n ALA 29 N 4.64 0.00 -2.25 0.00 0.00 -1.26 0.31 120.51 121.95 1b4r n ALA 29 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.91 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 0.00 2.56 -0.25 0.00 -0.04 -1.26 -4.84 135.00 131.17 1b4r n PRO 30 Ca 0.00 -2.87 -0.02 0.00 -0.04 0.00 0.00 63.50 60.57 1b4r n PRO 30 Cb 0.00 -3.52 0.01 0.00 -0.04 0.00 0.00 33.50 29.95 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 10.02 -0.46 -3.35 1.53 4.32 -1.26 -1.65 117.00 126.16 1b4r n LEU 31 Ca 0.48 1.13 -0.38 0.00 -0.02 0.00 0.00 56.01 57.21 1b4r n LEU 31 Cb 0.45 -0.24 -0.03 0.00 -1.62 0.00 0.00 43.42 41.99 1b4r n LEU 31 CO 0.77 -1.00 3.25 -0.81 -1.22 0.00 0.00 177.39 178.39 1b4r n PRO 32 N -4.92 3.48 -3.00 3.23 -0.04 -1.26 -4.95 135.00 127.53 1b4r n PRO 32 Ca 0.06 -2.18 -0.31 0.00 -0.04 0.00 0.00 63.50 61.02 1b4r n PRO 32 Cb 0.24 -2.83 -0.05 0.00 -0.04 0.00 0.00 33.50 30.83 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 2.39 4.72 0.00 0.52 1.01 -0.66 -4.86 120.40 123.54 1b4r s VAL 33 Ca 0.65 0.80 0.00 0.00 0.00 0.00 0.00 61.98 63.44 1b4r s VAL 33 Cb 0.17 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1b4r s VAL 33 CO -0.06 -0.35 0.00 1.07 0.00 0.00 0.00 175.10 175.77 1b4r n THR 34 N -0.81 0.00 -3.65 3.92 5.66 -1.26 -4.55 114.28 113.59 1b4r n THR 34 Ca 0.03 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.89 1b4r n THR 34 Cb 0.54 -0.59 -0.08 0.00 -1.55 0.00 0.00 70.33 68.65 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 -1.70 -1.56 0.10 1.79 0.00 -1.25 -1.25 121.76 117.89 1b4r s ALA 35 Ca 0.00 1.73 0.07 0.00 0.00 0.00 0.00 51.96 53.76 1b4r s ALA 35 Cb 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 1b4r s ALA 35 CO 0.00 -0.30 -0.18 -0.08 0.00 0.00 0.00 175.76 175.20 1b4r s THR 36 N 0.23 1.47 -0.34 0.00 -1.32 -0.45 -1.52 115.64 113.71 1b4r s THR 36 Ca -0.01 -1.50 0.01 0.00 -1.21 0.00 0.00 61.69 58.98 1b4r s THR 36 Cb -0.04 -1.40 0.08 0.00 -1.51 0.00 0.00 72.50 69.63 1b4r s THR 36 CO 0.01 -0.17 0.05 -0.60 -2.21 0.00 0.00 174.62 171.71 1b4r s ARG 37 N -1.98 1.96 0.80 7.08 6.06 0.73 -0.56 118.95 133.04 1b4r s ARG 37 Ca 0.04 -1.64 -0.05 0.00 -2.50 0.00 0.00 55.73 51.59 1b4r s ARG 37 Cb -0.09 -3.25 0.17 0.00 0.06 0.00 0.00 34.95 31.83 1b4r s ARG 37 CO 0.04 -0.84 1.09 0.91 -2.50 0.00 0.00 175.30 173.99 1b4r n TRP 38 N 4.46 -3.22 -3.34 5.12 7.02 0.70 -0.20 117.44 127.97 1b4r n TRP 38 Ca -0.04 -1.61 -0.11 0.00 -1.02 0.00 0.00 57.50 54.71 1b4r n TRP 38 Cb 0.42 -0.81 -0.07 0.00 -2.42 0.00 0.00 31.31 28.43 1b4r n TRP 38 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1b4r s ASP 39 N -5.28 0.74 -0.07 -0.99 1.01 0.16 0.41 116.67 112.65 1b4r s ASP 39 Ca 0.69 -0.39 -0.00 0.00 0.71 0.00 0.00 52.55 53.56 1b4r s ASP 39 Cb -0.03 0.92 -0.00 0.00 1.01 0.00 0.00 42.92 44.82 1b4r s ASP 39 CO 0.46 -0.35 0.01 -0.26 0.21 0.00 0.00 175.17 175.24 1b4r h PHE 40 N 8.20 -0.00 0.00 4.23 0.04 -1.10 -2.53 116.94 125.77 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 1.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.27 1b4r h PHE 40 CO 0.25 -0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.36 1b4r n GLY 41 N 1.82 0.81 0.00 -1.45 0.00 -0.56 -4.31 105.19 101.50 1b4r n GLY 41 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 0.45 0.00 0.13 1.61 5.68 -1.26 -4.86 116.55 118.30 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 -6.53 6.12 0.00 -1.96 -3.44 103.07 97.26 1b4r h GLY 43 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.92 1b4r h GLY 43 CO 0.00 0.00 -0.77 -0.56 0.00 0.00 0.00 176.54 175.21 1b4r s SER 44 N -5.29 1.11 0.00 0.19 0.01 -1.26 -5.09 113.70 103.37 1b4r s SER 44 Ca 0.04 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.20 1b4r s SER 44 Cb 0.09 -0.42 0.00 0.00 0.21 0.00 0.00 66.02 65.90 1b4r s SER 44 CO 0.72 -0.11 0.00 0.00 0.41 0.00 0.00 173.24 174.26 1b4r n ALA 45 N 4.44 0.00 -1.39 1.44 0.00 -1.26 -1.50 120.51 122.24 1b4r n ALA 45 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.90 1b4r n ALA 45 Cb 0.50 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 -0.21 0.59 -3.68 0.00 0.28 -1.26 -0.96 120.64 115.39 1b4r n GLU 46 Ca 0.00 0.26 -0.21 0.00 -0.16 0.00 0.00 57.16 57.05 1b4r n GLU 46 Cb 0.00 -2.34 -0.18 0.00 1.43 0.00 0.00 31.44 30.35 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 -1.78 -0.02 -0.51 3.84 1.01 0.17 -4.73 120.40 118.38 1b4r s VAL 47 Ca 0.76 0.28 -0.14 0.00 0.00 0.00 0.00 61.98 62.88 1b4r s VAL 47 Cb -0.34 -0.28 0.11 0.00 0.00 0.00 0.00 36.38 35.87 1b4r s VAL 47 CO 0.48 0.12 0.44 -1.81 0.00 0.00 0.00 175.10 174.33 1b4r s ASP 48 N 2.13 6.07 0.39 3.32 1.01 -1.26 -0.21 116.67 128.12 1b4r s ASP 48 Ca 0.04 -1.71 0.08 0.00 0.71 0.00 0.00 52.55 51.68 1b4r s ASP 48 Cb -0.13 -2.16 -0.05 0.00 1.01 0.00 0.00 42.92 41.60 1b4r s ASP 48 CO -0.04 -0.77 0.17 0.00 0.21 0.00 0.00 175.17 174.74 1b4r s ALA 49 N 1.56 3.57 0.15 5.23 0.00 0.28 -4.99 121.76 127.55 1b4r s ALA 49 Ca 0.04 -2.03 0.03 0.00 0.00 0.00 0.00 51.96 50.00 1b4r s ALA 49 Cb -0.28 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 1b4r s ALA 49 CO 0.03 -0.11 0.24 0.00 0.00 0.00 0.00 175.76 175.92 1b4r s ALA 50 N -2.55 3.85 0.00 0.00 0.00 -1.24 -1.34 121.76 120.48 1b4r s ALA 50 Ca 0.40 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1b4r s ALA 50 Cb 0.02 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.48 1b4r s ALA 50 CO 0.23 0.52 0.00 0.41 0.00 0.00 0.00 175.76 176.92 1b4r n GLY 51 N -0.50 0.74 1.89 0.00 0.00 -0.38 -1.99 105.19 104.95 1b4r n GLY 51 Ca -0.07 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.02 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 1.78 -3.99 1.61 -0.04 -1.26 -2.94 135.00 130.15 1b4r n PRO 52 Ca 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 63.50 61.88 1b4r n PRO 52 Cb 0.00 -1.60 -0.10 0.00 -0.04 0.00 0.00 33.50 31.76 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 -1.69 0.17 0.00 0.55 0.00 -0.84 -0.38 121.76 119.56 1b4r s ALA 53 Ca 0.30 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1b4r s ALA 53 Cb 0.23 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.62 1b4r s ALA 53 CO -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 175.76 175.41 1b4r n ALA 54 N 0.55 0.00 -3.48 0.00 0.00 -0.51 -3.73 120.51 113.35 1b4r n ALA 54 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 1b4r n ALA 54 Cb 0.59 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.59 -0.03 0.00 1.04 -1.26 0.31 113.70 112.67 1b4r s SER 55 Ca 0.00 1.07 -0.05 0.00 0.48 0.00 0.00 55.95 57.44 1b4r s SER 55 Cb 0.00 1.07 -0.04 0.00 0.10 0.00 0.00 66.02 67.15 1b4r s SER 55 CO 0.00 -0.26 0.21 -1.00 0.98 0.00 0.00 173.24 173.17 1b4r s HIS 56 N 0.06 3.58 -0.59 5.02 3.76 0.16 -4.85 115.29 122.42 1b4r s HIS 56 Ca -0.02 0.49 -0.01 0.00 -0.15 0.00 0.00 55.06 55.37 1b4r s HIS 56 Cb -0.04 -1.92 0.15 0.00 1.11 0.00 0.00 32.58 31.88 1b4r s HIS 56 CO 0.02 0.66 0.38 -0.98 -0.85 0.00 0.00 174.74 173.97 1b4r s ARG 57 N -1.62 2.39 -0.04 1.40 1.70 -1.26 -0.03 118.95 121.48 1b4r s ARG 57 Ca 0.24 -2.54 -0.15 0.00 -0.47 0.00 0.00 55.73 52.81 1b4r s ARG 57 Cb -0.13 -3.61 -0.05 0.00 -0.57 0.00 0.00 34.95 30.59 1b4r s ARG 57 CO 0.14 -1.15 0.40 0.71 -1.08 0.00 0.00 175.30 174.31 1b4r s TYR 58 N -0.10 3.65 0.00 5.89 2.02 -0.32 -4.01 117.35 124.49 1b4r s TYR 58 Ca 0.17 0.91 0.00 0.00 -0.37 0.00 0.00 57.07 57.78 1b4r s TYR 58 Cb -0.22 -2.33 0.00 0.00 -0.40 0.00 0.00 41.96 39.01 1b4r s TYR 58 CO -0.03 0.51 0.00 1.55 -1.57 0.00 0.00 175.55 176.02 1b4r n VAL 59 N 2.38 0.00 -3.63 0.71 3.14 -1.26 -0.25 118.33 119.41 1b4r n VAL 59 Ca -0.13 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 60.92 1b4r n VAL 59 Cb 0.52 -0.69 -0.05 0.00 -1.06 0.00 0.00 33.84 32.56 1b4r n VAL 59 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1b4r s LEU 60 N -3.83 4.31 -0.30 6.55 2.96 -1.26 -2.84 118.68 124.27 1b4r s LEU 60 Ca 0.00 0.68 -0.29 0.00 -0.22 0.00 0.00 54.13 54.30 1b4r s LEU 60 Cb 0.00 -3.11 0.01 0.00 0.50 0.00 0.00 46.19 43.59 1b4r s LEU 60 CO 0.00 0.12 1.14 -2.16 -1.32 0.00 0.00 176.35 174.13 1b4r s PRO 61 N -2.25 4.06 0.00 0.98 0.04 -1.26 -4.75 135.00 131.81 1b4r s PRO 61 Ca 0.36 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1b4r s PRO 61 Cb -0.13 -3.76 0.00 0.00 0.04 0.00 0.00 34.50 30.65 1b4r s PRO 61 CO 0.21 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.74 1b4r n GLY 62 N 3.92 -0.56 3.27 0.56 0.00 0.13 -4.91 105.19 107.60 1b4r n GLY 62 Ca 0.13 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.33 3.26 0.21 1.61 0.52 -1.26 0.16 118.95 122.12 1b4r s ARG 63 Ca 0.00 -0.71 0.06 0.00 -0.52 0.00 0.00 55.73 54.56 1b4r s ARG 63 Cb 0.00 -2.76 -0.04 0.00 0.52 0.00 0.00 34.95 32.68 1b4r s ARG 63 CO 0.00 -0.08 0.15 0.71 0.02 0.00 0.00 175.30 176.10 1b4r s TYR 64 N 1.08 3.09 -0.16 -0.53 1.51 -0.25 -4.90 117.35 117.19 1b4r s TYR 64 Ca -0.00 -0.08 -0.03 0.00 -1.01 0.00 0.00 57.07 55.95 1b4r s TYR 64 Cb -0.15 -1.43 -0.02 0.00 -0.11 0.00 0.00 41.96 40.25 1b4r s TYR 64 CO -0.03 0.53 -0.05 -1.58 -1.11 0.00 0.00 175.55 173.31 1b4r s HIS 65 N -1.96 2.99 0.12 2.71 5.65 -1.26 -1.35 115.29 122.19 1b4r s HIS 65 Ca 0.32 -0.37 0.06 0.00 0.25 0.00 0.00 55.06 55.31 1b4r s HIS 65 Cb -0.09 -1.95 -0.04 0.00 -1.18 0.00 0.00 32.58 29.32 1b4r s HIS 65 CO 0.24 -0.09 -0.02 0.08 -0.65 0.00 0.00 174.74 174.30 1b4r s VAL 66 N 0.42 3.78 0.07 0.89 1.01 0.13 -4.53 120.40 122.16 1b4r s VAL 66 Ca -0.05 -1.19 -0.14 0.00 0.00 0.00 0.00 61.98 60.61 1b4r s VAL 66 Cb -0.14 -2.83 0.02 0.00 0.00 0.00 0.00 36.38 33.43 1b4r s VAL 66 CO 0.03 0.04 0.31 0.28 0.00 0.00 0.00 175.10 175.77 1b4r s THR 67 N -1.42 0.09 0.06 3.92 -1.32 -0.95 -0.09 115.64 115.92 1b4r s THR 67 Ca 0.25 -0.74 -0.14 0.00 -1.21 0.00 0.00 61.69 59.86 1b4r s THR 67 Cb -0.11 -1.07 0.02 0.00 -1.51 0.00 0.00 72.50 69.83 1b4r s THR 67 CO 0.17 -0.41 0.31 0.00 -2.21 0.00 0.00 174.62 172.49 1b4r s ALA 68 N -3.11 -0.69 -0.23 11.08 0.00 -0.54 0.39 121.76 128.66 1b4r s ALA 68 Ca -0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 51.96 51.86 1b4r s ALA 68 Cb 0.01 0.41 0.11 0.00 0.00 0.00 0.00 23.12 23.65 1b4r s ALA 68 CO -0.07 -0.47 0.28 0.54 0.00 0.00 0.00 175.76 176.05 1b4r s VAL 69 N -2.93 -0.42 0.30 0.00 0.11 0.72 0.35 120.40 118.53 1b4r s VAL 69 Ca -0.02 -0.19 -0.08 0.00 -2.93 0.00 0.00 61.98 58.76 1b4r s VAL 69 Cb 0.00 -0.79 -0.06 0.00 -1.53 0.00 0.00 36.38 34.00 1b4r s VAL 69 CO -0.06 -0.24 0.61 -0.76 -3.33 0.00 0.00 175.10 171.32 1b4r s LEU 70 N 2.40 4.04 -0.12 2.54 1.43 0.19 -0.19 118.68 128.96 1b4r s LEU 70 Ca 0.09 0.89 -0.01 0.00 -1.03 0.00 0.00 54.13 54.07 1b4r s LEU 70 Cb -0.15 -3.71 0.03 0.00 0.03 0.00 0.00 46.19 42.39 1b4r s LEU 70 CO -0.18 -0.21 -0.04 0.00 0.23 0.00 0.00 176.35 176.15 1b4r s ALA 71 N -2.07 1.21 -0.50 4.21 0.00 -0.57 -3.00 121.76 121.02 1b4r s ALA 71 Ca 0.47 -0.54 0.15 0.00 0.00 0.00 0.00 51.96 52.03 1b4r s ALA 71 Cb -0.11 -0.95 -0.18 0.00 0.00 0.00 0.00 23.12 21.88 1b4r s ALA 71 CO 0.27 -0.59 0.54 1.28 0.00 0.00 0.00 175.76 177.27 1b4r n LEU 72 N 4.98 0.50 0.00 0.00 4.32 -0.19 -3.95 117.00 122.66 1b4r n LEU 72 Ca -0.11 -0.36 0.00 0.00 -0.02 0.00 0.00 56.01 55.52 1b4r n LEU 72 Cb 0.49 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 1b4r n LEU 72 CO 0.15 0.12 0.00 0.61 -1.22 0.00 0.00 177.39 177.05 1b4r n GLY 73 N 1.43 3.10 0.08 -0.72 0.00 -1.26 -4.63 105.19 103.19 1b4r n GLY 73 Ca 0.01 -0.90 0.03 0.00 0.00 0.00 0.00 46.02 45.16 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 2.62 -2.90 4.61 0.00 -1.26 -5.04 120.51 118.53 1b4r n ALA 74 Ca 0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 53.44 53.07 1b4r n ALA 74 Cb 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 19.45 19.20 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 -1.16 0.32 0.23 0.00 0.00 -1.26 -5.18 107.32 100.26 1b4r s GLY 75 Ca 0.04 -0.70 -0.12 0.00 0.00 0.00 0.00 44.72 43.94 1b4r s GLY 75 CO 0.17 -0.66 0.45 -1.35 0.00 0.00 0.00 173.10 171.70 1b4r s SER 76 N -2.94 -0.09 -0.06 1.64 1.04 -1.26 -1.02 113.70 111.01 1b4r s SER 76 Ca 0.15 -0.88 -0.07 0.00 0.48 0.00 0.00 55.95 55.63 1b4r s SER 76 Cb 0.02 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.72 1b4r s SER 76 CO -0.01 -1.09 0.18 0.00 0.98 0.00 0.00 173.24 173.31 1b4r s ALA 77 N -4.00 -0.45 0.10 5.32 0.00 -1.16 -4.83 121.76 116.73 1b4r s ALA 77 Ca 0.21 0.48 0.04 0.00 0.00 0.00 0.00 51.96 52.69 1b4r s ALA 77 Cb 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 1b4r s ALA 77 CO 0.07 -0.10 0.05 -0.51 0.00 0.00 0.00 175.76 175.27 1b4r s LEU 78 N -0.00 3.64 0.10 0.00 2.01 -1.26 -0.64 118.68 122.53 1b4r s LEU 78 Ca -0.01 -0.12 0.02 0.00 0.01 0.00 0.00 54.13 54.04 1b4r s LEU 78 Cb -0.02 -2.33 -0.04 0.00 0.01 0.00 0.00 46.19 43.82 1b4r s LEU 78 CO 0.00 0.16 -0.08 -0.22 1.01 0.00 0.00 176.35 177.22 1b4r s LEU 79 N -2.48 2.48 -0.36 1.79 1.98 0.16 -3.29 118.68 118.96 1b4r s LEU 79 Ca 0.28 -0.94 -0.01 0.00 -2.89 0.00 0.00 54.13 50.57 1b4r s LEU 79 Cb -0.12 -0.14 0.19 0.00 0.66 0.00 0.00 46.19 46.78 1b4r s LEU 79 CO 0.20 -0.40 0.83 -0.83 -1.89 0.00 0.00 176.35 174.27 1b4r s GLY 80 N -2.85 -1.36 0.09 7.98 0.00 -1.25 -1.46 107.32 108.46 1b4r s GLY 80 Ca 0.10 0.87 0.00 0.00 0.00 0.00 0.00 44.72 45.69 1b4r s GLY 80 CO -0.03 3.97 0.04 -1.30 0.00 0.00 0.00 173.10 175.78 1b4r n THR 81 N 4.24 0.00 -3.75 0.90 -2.24 0.87 -4.90 114.28 109.40 1b4r n THR 81 Ca 0.08 -0.37 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 1b4r n THR 81 Cb 0.59 -0.21 -0.09 0.00 -2.10 0.00 0.00 70.33 68.53 1b4r n THR 81 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1b4r s ASP 82 N -1.49 -0.25 -0.00 3.42 1.01 -1.26 0.18 116.67 118.27 1b4r s ASP 82 Ca 0.03 0.25 0.04 0.00 0.71 0.00 0.00 52.55 53.58 1b4r s ASP 82 Cb -0.00 0.41 -0.01 0.00 1.01 0.00 0.00 42.92 44.33 1b4r s ASP 82 CO 0.02 -0.39 -0.13 0.54 0.21 0.00 0.00 175.17 175.41 1b4r s VAL 83 N -1.01 1.05 -0.89 -1.27 0.11 -0.45 -4.94 120.40 113.00 1b4r s VAL 83 Ca -0.11 -0.63 -0.08 0.00 -2.93 0.00 0.00 61.98 58.23 1b4r s VAL 83 Cb -0.04 -0.89 0.23 0.00 -1.53 0.00 0.00 36.38 34.14 1b4r s VAL 83 CO 0.04 0.25 0.81 -1.10 -3.33 0.00 0.00 175.10 171.77 1b4r s GLN 84 N -0.43 3.54 0.19 1.54 -0.21 -1.26 -1.09 119.66 121.94 1b4r s GLN 84 Ca 0.05 -2.84 -0.30 0.00 0.02 0.00 0.00 55.36 52.28 1b4r s GLN 84 Cb -0.05 -4.26 -0.08 0.00 1.00 0.00 0.00 33.01 29.62 1b4r s GLN 84 CO -0.00 -1.25 1.02 0.08 -2.12 0.00 0.00 175.29 173.02 1b4r s VAL 85 N -0.56 4.05 0.02 1.09 1.01 0.12 -4.61 120.40 121.52 1b4r s VAL 85 Ca 0.23 1.85 0.07 0.00 0.00 0.00 0.00 61.98 64.13 1b4r s VAL 85 Cb -0.11 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 1b4r s VAL 85 CO -0.08 0.35 -0.21 -1.61 0.00 0.00 0.00 175.10 173.55 1b4r s GLU 86 N -0.59 1.55 0.00 2.72 0.41 -0.36 0.21 118.70 122.64 1b4r s GLU 86 Ca 0.46 -0.86 0.25 0.00 -0.41 0.00 0.00 54.97 54.41 1b4r s GLU 86 Cb -0.27 -1.59 1.50 0.00 -1.78 0.00 0.00 34.13 31.99 1b4r s GLU 86 CO 0.33 0.42 1.86 0.00 -0.49 0.00 0.00 175.26 177.39