#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 4.82 -0.70 0.00 -1.32 0.19 -4.79 115.64 113.83 1b4r s THR 9 Ca 0.00 1.02 -0.17 0.00 -1.21 0.00 0.00 61.69 61.33 1b4r s THR 9 Cb 0.00 -3.81 0.15 0.00 -1.51 0.00 0.00 72.50 67.33 1b4r s THR 9 CO 0.00 0.44 0.73 -0.76 -2.21 0.00 0.00 174.62 172.82 1b4r s LEU 10 N -1.44 6.00 -0.27 9.08 1.02 -1.26 -1.85 118.68 129.96 1b4r s LEU 10 Ca 0.32 -2.02 -0.08 0.00 0.02 0.00 0.00 54.13 52.36 1b4r s LEU 10 Cb -0.17 -2.26 -0.02 0.00 0.02 0.00 0.00 46.19 43.76 1b4r s LEU 10 CO 0.18 -0.87 0.10 -0.69 0.02 0.00 0.00 176.35 175.10 1b4r s VAL 11 N 1.58 4.39 -0.60 -1.59 1.01 -0.28 -5.00 120.40 119.91 1b4r s VAL 11 Ca 0.14 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.89 1b4r s VAL 11 Cb -0.18 -3.13 0.24 0.00 0.00 0.00 0.00 36.38 33.30 1b4r s VAL 11 CO -0.02 0.23 0.67 0.61 0.00 0.00 0.00 175.10 176.59 1b4r n GLY 12 N 4.94 4.35 3.79 4.51 0.00 -1.26 0.51 105.19 122.02 1b4r n GLY 12 Ca -0.15 -2.53 -0.34 0.00 0.00 0.00 0.00 46.02 43.00 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 -2.10 3.54 0.00 1.61 0.04 -0.70 -4.82 135.00 132.58 1b4r s PRO 13 Ca 0.37 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1b4r s PRO 13 Cb 0.13 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1b4r s PRO 13 CO -0.05 -0.66 0.00 0.72 0.04 0.00 0.00 177.00 177.05 1b4r n HIS 14 N -1.28 0.00 -0.04 0.56 8.25 -1.26 -1.89 115.22 119.56 1b4r n HIS 14 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1b4r n HIS 14 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 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 -1.71 0.99 3.80 -1.41 0.00 -1.26 -5.01 105.19 100.58 1b4r n GLY 15 Ca 0.00 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 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 0.41 3.81 -1.01 1.61 0.04 -1.26 -4.99 135.00 133.61 1b4r s PRO 16 Ca 0.00 1.27 -0.09 0.00 0.04 0.00 0.00 61.00 62.23 1b4r s PRO 16 Cb 0.00 -2.10 0.25 0.00 0.04 0.00 0.00 34.50 32.69 1b4r s PRO 16 CO 0.00 -0.41 0.97 -0.51 0.04 0.00 0.00 177.00 177.09 1b4r s LEU 17 N -3.62 6.27 0.81 -3.56 1.43 -1.26 -4.97 118.68 113.78 1b4r s LEU 17 Ca 0.65 -3.41 -0.12 0.00 -1.03 0.00 0.00 54.13 50.22 1b4r s LEU 17 Cb -0.15 -2.15 0.08 0.00 0.03 0.00 0.00 46.19 44.00 1b4r s LEU 17 CO 0.22 -0.33 1.10 0.00 0.23 0.00 0.00 176.35 177.57 1b4r s ALA 18 N -0.96 2.23 -0.14 4.21 0.00 -1.26 -1.33 121.76 124.51 1b4r s ALA 18 Ca 0.27 -0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.67 1b4r s ALA 18 Cb -0.10 -3.09 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 1b4r s ALA 18 CO -0.09 -1.77 2.11 0.45 0.00 0.00 0.00 175.76 176.46 1b4r n SER 19 N -3.45 3.44 -0.12 0.00 2.88 0.12 -2.30 113.62 114.18 1b4r n SER 19 Ca 0.07 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 1b4r n SER 19 Cb 0.57 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 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 5.34 0.78 3.42 0.46 0.00 -0.03 -4.92 105.19 110.23 1b4r n GLY 20 Ca 0.27 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.44 1.51 -0.47 1.61 -1.52 0.91 -4.94 119.66 116.32 1b4r s GLN 21 Ca 0.00 -1.55 -0.03 0.00 -1.95 0.00 0.00 55.36 51.82 1b4r s GLN 21 Cb 0.00 -1.76 0.12 0.00 -0.22 0.00 0.00 33.01 31.15 1b4r s GLN 21 CO 0.00 0.37 0.28 -1.17 -0.25 0.00 0.00 175.29 174.52 1b4r s LEU 22 N -2.82 5.30 0.58 2.90 1.98 -1.26 -0.93 118.68 124.43 1b4r s LEU 22 Ca 0.22 -2.22 -0.13 0.00 -2.89 0.00 0.00 54.13 49.10 1b4r s LEU 22 Cb -0.07 -1.85 -0.05 0.00 0.66 0.00 0.00 46.19 44.87 1b4r s LEU 22 CO 0.10 -0.52 1.02 0.00 -1.89 0.00 0.00 176.35 175.06 1b4r s ALA 23 N 0.87 3.05 -0.18 5.97 0.00 0.83 -4.82 121.76 127.48 1b4r s ALA 23 Ca 0.10 0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.12 1b4r s ALA 23 Cb -0.22 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 19.81 1b4r s ALA 23 CO -0.04 -0.55 -0.20 0.00 0.00 0.00 0.00 175.76 174.98 1b4r s ALA 24 N -2.92 2.34 0.48 0.00 0.00 -0.79 0.20 121.76 121.06 1b4r s ALA 24 Ca 0.57 -1.21 0.08 0.00 0.00 0.00 0.00 51.96 51.40 1b4r s ALA 24 Cb -0.11 -1.19 0.02 0.00 0.00 0.00 0.00 23.12 21.84 1b4r s ALA 24 CO 0.44 -0.34 0.49 -0.06 0.00 0.00 0.00 175.76 176.30 1b4r s PHE 25 N 1.27 2.23 -0.28 0.00 0.40 0.11 -1.72 117.98 119.99 1b4r s PHE 25 Ca 0.04 -0.60 -0.24 0.00 -0.60 0.00 0.00 56.93 55.54 1b4r s PHE 25 Cb -0.13 -2.15 0.13 0.00 0.51 0.00 0.00 43.02 41.37 1b4r s PHE 25 CO -0.12 -0.45 1.03 -3.38 0.70 0.00 0.00 175.22 173.00 1b4r s HIS 26 N -2.56 -0.49 0.08 0.36 -3.43 0.18 -1.35 115.29 108.08 1b4r s HIS 26 Ca 0.49 1.15 0.04 0.00 -0.80 0.00 0.00 55.06 55.93 1b4r s HIS 26 Cb -0.04 0.37 -0.04 0.00 -1.43 0.00 0.00 32.58 31.43 1b4r s HIS 26 CO 0.29 -0.23 0.03 0.42 -2.00 0.00 0.00 174.74 173.25 1b4r s ILE 27 N 0.37 4.23 -0.06 -5.38 -1.09 0.25 -1.13 121.20 118.38 1b4r s ILE 27 Ca 0.02 -0.87 -0.00 0.00 -2.23 0.00 0.00 60.65 57.57 1b4r s ILE 27 Cb -0.05 -3.01 0.02 0.00 -1.58 0.00 0.00 42.46 37.84 1b4r s ILE 27 CO -0.08 0.14 -0.03 0.00 -1.23 0.00 0.00 174.94 173.75 1b4r s ALA 28 N -1.32 0.75 0.01 9.38 0.00 -0.77 -4.77 121.76 125.04 1b4r s ALA 28 Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.09 1b4r s ALA 28 Cb -0.12 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.39 1b4r s ALA 28 CO 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 175.76 175.71 1b4r n ALA 29 N 4.61 0.00 -1.66 0.00 0.00 -1.26 0.52 120.51 122.72 1b4r n ALA 29 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 1b4r n ALA 29 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.15 3.22 0.00 0.00 -0.04 -1.26 -4.88 135.00 129.89 1b4r n PRO 30 Ca 0.00 -2.58 0.00 0.00 -0.04 0.00 0.00 63.50 60.88 1b4r n PRO 30 Cb 0.00 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 30.36 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 5.05 0.00 -4.56 1.53 4.77 -1.26 -2.64 117.00 119.89 1b4r n LEU 31 Ca 0.59 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 56.17 1b4r n LEU 31 Cb 0.34 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 1b4r n LEU 31 CO 0.88 0.00 1.46 -2.16 -1.33 0.00 0.00 177.39 176.23 1b4r s PRO 32 N -1.83 3.51 0.03 3.23 0.04 -1.26 -4.98 135.00 133.73 1b4r s PRO 32 Ca 0.00 -1.02 0.05 0.00 0.04 0.00 0.00 61.00 60.07 1b4r s PRO 32 Cb 0.00 -5.28 -0.03 0.00 0.04 0.00 0.00 34.50 29.22 1b4r s PRO 32 CO 0.00 -2.28 -0.10 0.08 0.04 0.00 0.00 177.00 174.74 1b4r s VAL 33 N 5.34 3.38 -0.04 -0.36 1.01 -1.08 -4.89 120.40 123.75 1b4r s VAL 33 Ca 0.47 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.54 1b4r s VAL 33 Cb -0.01 -2.48 -0.10 0.00 0.00 0.00 0.00 36.38 33.78 1b4r s VAL 33 CO -0.08 0.32 0.16 1.07 0.00 0.00 0.00 175.10 176.57 1b4r n THR 34 N 1.38 0.00 -3.63 3.92 5.66 -1.26 -4.36 114.28 115.99 1b4r n THR 34 Ca -0.15 -0.17 -0.03 0.00 -3.05 0.00 0.00 64.05 60.64 1b4r n THR 34 Cb 0.52 0.40 -0.04 0.00 -1.55 0.00 0.00 70.33 69.67 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 -2.40 -2.09 -0.01 1.79 0.00 -1.21 -0.20 121.76 117.64 1b4r s ALA 35 Ca -0.02 1.83 0.00 0.00 0.00 0.00 0.00 51.96 53.77 1b4r s ALA 35 Cb 0.04 -1.25 0.01 0.00 0.00 0.00 0.00 23.12 21.92 1b4r s ALA 35 CO 0.29 -0.29 -0.01 -0.08 0.00 0.00 0.00 175.76 175.67 1b4r s THR 36 N -1.18 0.08 -0.39 0.00 -1.32 -0.51 -1.11 115.64 111.21 1b4r s THR 36 Ca 0.07 -0.01 -0.19 0.00 -1.21 0.00 0.00 61.69 60.35 1b4r s THR 36 Cb -0.01 -0.10 0.01 0.00 -1.51 0.00 0.00 72.50 70.89 1b4r s THR 36 CO -0.06 0.04 0.58 -0.60 -2.21 0.00 0.00 174.62 172.38 1b4r s ARG 37 N 0.19 3.46 0.61 7.08 3.52 0.92 -1.14 118.95 133.59 1b4r s ARG 37 Ca -0.02 -0.24 0.04 0.00 -0.13 0.00 0.00 55.73 55.38 1b4r s ARG 37 Cb -0.03 -3.87 0.11 0.00 -1.56 0.00 0.00 34.95 29.60 1b4r s ARG 37 CO -0.01 -0.82 0.85 0.91 -0.81 0.00 0.00 175.30 175.42 1b4r n TRP 38 N 5.99 -2.69 -3.34 5.12 7.02 0.32 0.02 117.44 129.87 1b4r n TRP 38 Ca -0.03 -1.78 -0.11 0.00 -1.02 0.00 0.00 57.50 54.56 1b4r n TRP 38 Cb 0.48 -0.60 -0.08 0.00 -2.42 0.00 0.00 31.31 28.70 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 -4.57 0.67 -0.05 -0.99 1.01 0.13 0.35 116.67 113.21 1b4r s ASP 39 Ca 0.59 -0.30 -0.00 0.00 0.71 0.00 0.00 52.55 53.55 1b4r s ASP 39 Cb -0.04 0.95 -0.00 0.00 1.01 0.00 0.00 42.92 44.84 1b4r s ASP 39 CO 0.39 -0.35 -0.01 -0.26 0.21 0.00 0.00 175.17 175.15 1b4r h PHE 40 N 8.19 0.00 0.00 4.23 0.04 -1.19 -2.72 116.94 125.49 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 1.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.27 1b4r h PHE 40 CO 0.23 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.35 1b4r n GLY 41 N 1.88 0.81 2.13 -1.45 0.00 -0.64 -4.41 105.19 103.50 1b4r n GLY 41 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 4.23 0.00 1.61 5.68 -1.26 -4.75 116.55 122.07 1b4r n ASP 42 Ca 0.00 -3.48 0.00 0.00 -0.50 0.00 0.00 54.79 50.81 1b4r n ASP 42 Cb 0.00 -0.83 0.00 0.00 -1.14 0.00 0.00 41.12 39.15 1b4r n ASP 42 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b4r n GLY 43 N -0.94 3.05 3.27 6.12 0.00 -1.26 -4.69 105.19 110.73 1b4r n GLY 43 Ca 0.54 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 1b4r n GLY 43 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b4r s SER 44 N -0.00 5.71 0.00 1.61 1.04 -1.26 -5.00 113.70 115.79 1b4r s SER 44 Ca 0.00 -1.60 0.00 0.00 0.48 0.00 0.00 55.95 54.83 1b4r s SER 44 Cb 0.00 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 64.10 1b4r s SER 44 CO 0.00 -0.59 0.01 0.00 0.98 0.00 0.00 173.24 173.63 1b4r n ALA 45 N 4.95 0.00 -1.62 5.32 0.00 -1.26 -1.63 120.51 126.28 1b4r n ALA 45 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 1b4r n ALA 45 Cb 0.42 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.05 1.43 -4.11 0.00 1.02 -1.26 -1.45 120.64 116.21 1b4r n GLU 46 Ca 0.00 0.51 -0.18 0.00 -0.02 0.00 0.00 57.16 57.47 1b4r n GLU 46 Cb 0.00 -2.04 -0.16 0.00 -0.02 0.00 0.00 31.44 29.22 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 -1.23 0.41 -0.59 2.62 1.01 0.15 -4.80 120.40 117.97 1b4r s VAL 47 Ca 0.62 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.46 1b4r s VAL 47 Cb -0.58 -0.43 0.15 0.00 0.00 0.00 0.00 36.38 35.53 1b4r s VAL 47 CO 0.58 0.17 0.41 -1.81 0.00 0.00 0.00 175.10 174.45 1b4r s ASP 48 N 0.65 5.34 0.14 3.32 1.11 -1.26 -0.52 116.67 125.44 1b4r s ASP 48 Ca -0.08 -2.65 -0.02 0.00 0.18 0.00 0.00 52.55 49.98 1b4r s ASP 48 Cb -0.11 -1.88 -0.05 0.00 1.07 0.00 0.00 42.92 41.96 1b4r s ASP 48 CO -0.00 -0.43 0.33 0.00 1.18 0.00 0.00 175.17 176.25 1b4r s ALA 49 N 0.23 3.87 0.31 5.23 0.00 -0.30 -4.97 121.76 126.13 1b4r s ALA 49 Ca 0.15 -0.73 -0.13 0.00 0.00 0.00 0.00 51.96 51.25 1b4r s ALA 49 Cb -0.20 -2.00 -0.08 0.00 0.00 0.00 0.00 23.12 20.84 1b4r s ALA 49 CO -0.04 0.64 0.69 0.00 0.00 0.00 0.00 175.76 177.05 1b4r s ALA 50 N -1.68 3.39 0.00 0.00 0.00 -1.22 -1.43 121.76 120.82 1b4r s ALA 50 Ca 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1b4r s ALA 50 Cb -0.12 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.33 1b4r s ALA 50 CO 0.27 0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.78 1b4r n GLY 51 N -0.40 0.73 1.82 0.00 0.00 0.73 -1.90 105.19 106.17 1b4r n GLY 51 Ca 0.03 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 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 1.66 -3.86 1.61 -0.04 -1.26 -2.72 135.00 130.40 1b4r n PRO 52 Ca 0.00 -1.30 -0.11 0.00 -0.04 0.00 0.00 63.50 62.05 1b4r n PRO 52 Cb 0.00 -1.51 -0.10 0.00 -0.04 0.00 0.00 33.50 31.85 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 -1.51 -0.37 0.00 0.55 0.00 -0.80 -0.59 121.76 119.05 1b4r s ALA 53 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1b4r s ALA 53 Cb 0.20 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.41 1b4r s ALA 53 CO -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 175.76 175.55 1b4r n ALA 54 N 1.52 0.00 -3.37 0.00 0.00 -0.46 -3.41 120.51 114.78 1b4r n ALA 54 Ca -0.22 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.08 1b4r n ALA 54 Cb 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.23 -0.45 -0.10 0.00 1.04 -1.26 0.06 113.70 112.76 1b4r s SER 55 Ca 0.00 0.65 -0.04 0.00 0.48 0.00 0.00 55.95 57.04 1b4r s SER 55 Cb 0.00 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.77 1b4r s SER 55 CO 0.00 -0.36 0.04 -1.00 0.98 0.00 0.00 173.24 172.90 1b4r s HIS 56 N -0.58 3.27 -0.67 5.02 3.76 0.13 -4.86 115.29 121.37 1b4r s HIS 56 Ca -0.07 0.26 -0.05 0.00 -0.15 0.00 0.00 55.06 55.05 1b4r s HIS 56 Cb -0.03 -1.85 0.17 0.00 1.11 0.00 0.00 32.58 31.98 1b4r s HIS 56 CO 0.04 0.50 0.51 -0.98 -0.85 0.00 0.00 174.74 173.96 1b4r s ARG 57 N -0.79 2.78 -0.20 1.40 1.70 -1.26 -0.12 118.95 122.46 1b4r s ARG 57 Ca 0.12 -2.54 -0.18 0.00 -0.47 0.00 0.00 55.73 52.67 1b4r s ARG 57 Cb -0.12 -3.87 -0.03 0.00 -0.57 0.00 0.00 34.95 30.36 1b4r s ARG 57 CO 0.03 -1.20 0.48 0.71 -1.08 0.00 0.00 175.30 174.24 1b4r s TYR 58 N -0.05 3.37 -0.03 5.89 2.02 -0.11 -4.80 117.35 123.64 1b4r s TYR 58 Ca 0.17 0.73 0.01 0.00 -0.37 0.00 0.00 57.07 57.61 1b4r s TYR 58 Cb -0.18 -2.63 -0.01 0.00 -0.40 0.00 0.00 41.96 38.74 1b4r s TYR 58 CO -0.04 -0.07 0.03 1.33 -1.57 0.00 0.00 175.55 175.22 1b4r n VAL 59 N 4.49 0.00 -4.00 0.71 0.24 -1.26 -0.07 118.33 118.44 1b4r n VAL 59 Ca -0.06 -0.30 -0.32 0.00 -2.04 0.00 0.00 64.34 61.63 1b4r n VAL 59 Cb 0.51 0.79 -0.06 0.00 -1.47 0.00 0.00 33.84 33.62 1b4r n VAL 59 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1b4r s LEU 60 N -2.45 4.08 -0.29 1.34 0.20 -1.26 -3.62 118.68 116.68 1b4r s LEU 60 Ca 0.00 0.17 -0.29 0.00 0.69 0.00 0.00 54.13 54.70 1b4r s LEU 60 Cb 0.01 -2.60 0.01 0.00 -0.43 0.00 0.00 46.19 43.17 1b4r s LEU 60 CO 0.04 0.21 1.16 -2.16 -0.29 0.00 0.00 176.35 175.31 1b4r s PRO 61 N -2.21 4.04 0.00 0.98 0.04 -1.26 -4.79 135.00 131.80 1b4r s PRO 61 Ca 0.29 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1b4r s PRO 61 Cb -0.12 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.63 1b4r s PRO 61 CO 0.22 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 176.72 1b4r n GLY 62 N 3.97 -0.19 3.66 0.56 0.00 0.04 -4.95 105.19 108.27 1b4r n GLY 62 Ca 0.13 -1.18 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 1b4r n GLY 62 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1b4r s ARG 63 N -2.00 2.34 0.09 1.61 1.70 -1.26 0.43 118.95 121.86 1b4r s ARG 63 Ca 0.00 -1.38 0.02 0.00 -0.47 0.00 0.00 55.73 53.90 1b4r s ARG 63 Cb 0.00 -2.19 -0.04 0.00 -0.57 0.00 0.00 34.95 32.14 1b4r s ARG 63 CO 0.00 0.37 -0.06 0.71 -1.08 0.00 0.00 175.30 175.24 1b4r s TYR 64 N -2.28 0.86 -0.23 5.89 1.51 -0.17 -4.94 117.35 118.00 1b4r s TYR 64 Ca 0.31 -0.91 -0.01 0.00 -1.01 0.00 0.00 57.07 55.45 1b4r s TYR 64 Cb -0.07 -0.51 0.03 0.00 -0.11 0.00 0.00 41.96 41.30 1b4r s TYR 64 CO 0.20 -0.16 -0.09 -1.58 -1.11 0.00 0.00 175.55 172.81 1b4r s HIS 65 N -3.58 3.02 0.07 2.71 2.46 -1.26 -1.53 115.29 117.18 1b4r s HIS 65 Ca 0.11 -1.62 -0.03 0.00 0.47 0.00 0.00 55.06 53.99 1b4r s HIS 65 Cb 0.05 -2.02 -0.05 0.00 -0.13 0.00 0.00 32.58 30.43 1b4r s HIS 65 CO -0.05 -0.75 0.28 0.08 -2.47 0.00 0.00 174.74 171.83 1b4r s VAL 66 N 1.30 5.29 0.05 0.89 1.01 0.15 -4.70 120.40 124.39 1b4r s VAL 66 Ca 0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 1b4r s VAL 66 Cb -0.16 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 1b4r s VAL 66 CO -0.06 0.17 0.15 0.42 0.00 0.00 0.00 175.10 175.77 1b4r s THR 67 N -1.50 0.13 0.18 3.92 -4.23 -1.03 0.33 115.64 113.44 1b4r s THR 67 Ca 0.35 -1.06 -0.14 0.00 -1.18 0.00 0.00 61.69 59.66 1b4r s THR 67 Cb -0.13 -1.01 0.01 0.00 1.34 0.00 0.00 72.50 72.72 1b4r s THR 67 CO 0.23 -0.58 0.43 0.00 -0.54 0.00 0.00 174.62 174.16 1b4r s ALA 68 N -2.88 -0.57 -0.02 3.99 0.00 -0.55 0.18 121.76 121.91 1b4r s ALA 68 Ca -0.03 -0.48 -0.00 0.00 0.00 0.00 0.00 51.96 51.45 1b4r s ALA 68 Cb 0.00 0.85 0.03 0.00 0.00 0.00 0.00 23.12 24.00 1b4r s ALA 68 CO -0.06 -0.74 0.03 0.54 0.00 0.00 0.00 175.76 175.53 1b4r s VAL 69 N -3.91 -0.03 0.13 0.00 0.11 0.10 0.25 120.40 117.05 1b4r s VAL 69 Ca 0.12 0.22 -0.19 0.00 -2.93 0.00 0.00 61.98 59.20 1b4r s VAL 69 Cb 0.01 -0.11 -0.07 0.00 -1.53 0.00 0.00 36.38 34.67 1b4r s VAL 69 CO -0.02 0.10 0.63 -0.76 -3.33 0.00 0.00 175.10 171.72 1b4r s LEU 70 N 1.15 4.46 -0.24 2.54 2.01 -0.35 -0.06 118.68 128.19 1b4r s LEU 70 Ca -0.08 1.31 -0.01 0.00 0.01 0.00 0.00 54.13 55.36 1b4r s LEU 70 Cb -0.13 -3.18 0.07 0.00 0.01 0.00 0.00 46.19 42.96 1b4r s LEU 70 CO -0.03 0.18 0.02 0.00 1.01 0.00 0.00 176.35 177.53 1b4r s ALA 71 N -1.28 1.50 -0.73 4.21 0.00 -0.27 -3.32 121.76 121.87 1b4r s ALA 71 Ca 0.35 -1.19 0.15 0.00 0.00 0.00 0.00 51.96 51.27 1b4r s ALA 71 Cb -0.18 -1.39 -0.17 0.00 0.00 0.00 0.00 23.12 21.38 1b4r s ALA 71 CO 0.20 -1.31 0.66 -0.11 0.00 0.00 0.00 175.76 175.20 1b4r n LEU 72 N 4.86 0.73 0.00 0.00 0.00 -0.07 -3.77 117.00 118.74 1b4r n LEU 72 Ca -0.08 -0.50 0.00 0.00 0.00 0.00 0.00 56.01 55.43 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 0.14 0.18 0.00 0.61 0.00 0.00 0.00 177.39 178.33 1b4r n GLY 73 N 1.36 3.09 0.05 -3.96 0.00 -1.26 -4.57 105.19 99.90 1b4r n GLY 73 Ca 0.03 -0.84 0.01 0.00 0.00 0.00 0.00 46.02 45.22 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 2.41 -2.56 4.61 0.00 -1.26 -5.03 120.51 118.68 1b4r n ALA 74 Ca 0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 53.44 53.10 1b4r n ALA 74 Cb 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 19.45 19.25 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 -0.84 0.37 0.36 0.00 0.00 -1.26 -5.17 107.32 100.79 1b4r s GLY 75 Ca 0.02 -0.90 -0.03 0.00 0.00 0.00 0.00 44.72 43.81 1b4r s GLY 75 CO 0.08 -0.98 0.53 -1.14 0.00 0.00 0.00 173.10 171.58 1b4r n SER 76 N 0.88 -1.47 -3.70 1.64 3.41 -1.26 -0.89 113.62 112.23 1b4r n SER 76 Ca -0.19 -2.92 -0.10 0.00 -0.26 0.00 0.00 58.87 55.40 1b4r n SER 76 Cb 0.58 2.71 -0.04 0.00 -0.26 0.00 0.00 64.21 67.20 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 -2.75 -0.92 -0.11 7.33 0.00 -1.21 -4.81 121.76 119.29 1b4r s ALA 77 Ca 0.29 -0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.11 1b4r s ALA 77 Cb -0.01 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 1b4r s ALA 77 CO 0.21 -0.74 -0.18 -0.51 0.00 0.00 0.00 175.76 174.54 1b4r s LEU 78 N -2.85 2.44 0.23 0.00 1.02 -1.26 -1.22 118.68 117.05 1b4r s LEU 78 Ca 0.07 -0.41 0.10 0.00 0.02 0.00 0.00 54.13 53.91 1b4r s LEU 78 Cb 0.00 -1.51 -0.04 0.00 0.02 0.00 0.00 46.19 44.65 1b4r s LEU 78 CO -0.06 0.19 -0.09 -0.22 0.02 0.00 0.00 176.35 176.18 1b4r s LEU 79 N 0.20 2.93 -0.36 1.79 1.98 0.14 -3.95 118.68 121.41 1b4r s LEU 79 Ca -0.11 -0.72 -0.02 0.00 -2.89 0.00 0.00 54.13 50.39 1b4r s LEU 79 Cb -0.16 -1.52 0.19 0.00 0.66 0.00 0.00 46.19 45.35 1b4r s LEU 79 CO 0.06 0.05 0.88 -0.83 -1.89 0.00 0.00 176.35 174.63 1b4r s GLY 80 N -3.28 -1.45 0.10 7.98 0.00 -1.25 -1.48 107.32 107.94 1b4r s GLY 80 Ca 0.28 0.80 0.01 0.00 0.00 0.00 0.00 44.72 45.81 1b4r s GLY 80 CO 0.16 4.05 0.08 -1.30 0.00 0.00 0.00 173.10 176.09 1b4r n THR 81 N 3.90 0.00 -3.73 0.90 -2.24 0.15 -4.89 114.28 108.37 1b4r n THR 81 Ca 0.08 -0.38 -0.11 0.00 -2.27 0.00 0.00 64.05 61.37 1b4r n THR 81 Cb 0.61 -0.46 -0.07 0.00 -2.10 0.00 0.00 70.33 68.31 1b4r n THR 81 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1b4r s ASP 82 N -1.57 -0.15 0.04 3.42 -4.77 -1.26 0.32 116.67 112.69 1b4r s ASP 82 Ca 0.06 -0.19 0.01 0.00 -3.30 0.00 0.00 52.55 49.12 1b4r s ASP 82 Cb -0.00 0.38 -0.02 0.00 -1.09 0.00 0.00 42.92 42.18 1b4r s ASP 82 CO 0.04 -0.66 -0.05 0.54 0.70 0.00 0.00 175.17 175.74 1b4r s VAL 83 N -2.75 0.32 -0.65 2.11 0.11 -0.58 -4.91 120.40 114.06 1b4r s VAL 83 Ca -0.04 -1.13 0.02 0.00 -2.93 0.00 0.00 61.98 57.90 1b4r s VAL 83 Cb -0.00 -0.61 0.16 0.00 -1.53 0.00 0.00 36.38 34.40 1b4r s VAL 83 CO -0.04 -0.53 0.44 -1.10 -3.33 0.00 0.00 175.10 170.53 1b4r s GLN 84 N -1.90 2.43 0.18 1.54 -0.21 -1.26 -1.00 119.66 119.44 1b4r s GLN 84 Ca -0.10 -2.91 -0.30 0.00 0.02 0.00 0.00 55.36 52.08 1b4r s GLN 84 Cb -0.07 -3.53 -0.08 0.00 1.00 0.00 0.00 33.01 30.33 1b4r s GLN 84 CO -0.02 -1.20 1.03 0.08 -2.12 0.00 0.00 175.29 173.07 1b4r s VAL 85 N -0.73 4.04 -0.00 1.09 1.01 0.17 -4.71 120.40 121.27 1b4r s VAL 85 Ca 0.21 1.82 0.07 0.00 0.00 0.00 0.00 61.98 64.08 1b4r s VAL 85 Cb -0.16 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 1b4r s VAL 85 CO -0.07 0.34 -0.22 -1.61 0.00 0.00 0.00 175.10 173.54 1b4r s GLU 86 N -0.53 1.71 0.00 2.72 2.02 -0.44 -0.78 118.70 123.39 1b4r s GLU 86 Ca 0.47 -0.83 0.27 0.00 0.02 0.00 0.00 54.97 54.90 1b4r s GLU 86 Cb -0.27 -1.69 0.78 0.00 0.10 0.00 0.00 34.13 33.04 1b4r s GLU 86 CO 0.34 0.46 1.59 0.00 0.02 0.00 0.00 175.26 177.67