#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 4.72 -0.87 0.00 -1.32 0.19 -4.79 115.64 113.56 1b4r s THR 9 Ca 0.00 1.26 -0.15 0.00 -1.21 0.00 0.00 61.69 61.59 1b4r s THR 9 Cb 0.00 -3.92 0.20 0.00 -1.51 0.00 0.00 72.50 67.27 1b4r s THR 9 CO 0.00 0.54 0.88 -0.76 -2.21 0.00 0.00 174.62 173.07 1b4r s LEU 10 N -1.05 6.30 -0.38 9.08 1.02 -1.26 -1.82 118.68 130.56 1b4r s LEU 10 Ca 0.30 -2.57 -0.15 0.00 0.02 0.00 0.00 54.13 51.73 1b4r s LEU 10 Cb -0.20 -2.26 0.00 0.00 0.02 0.00 0.00 46.19 43.76 1b4r s LEU 10 CO 0.20 -0.69 0.31 -0.69 0.02 0.00 0.00 176.35 175.50 1b4r s VAL 11 N 0.77 5.23 -0.60 -1.59 1.01 -0.23 -4.98 120.40 120.01 1b4r s VAL 11 Ca 0.22 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 61.89 1b4r s VAL 11 Cb -0.09 -3.87 0.24 0.00 0.00 0.00 0.00 36.38 32.67 1b4r s VAL 11 CO -0.09 -0.21 0.68 0.61 0.00 0.00 0.00 175.10 176.09 1b4r n GLY 12 N 5.11 4.33 3.79 4.51 0.00 -1.26 0.52 105.19 122.19 1b4r n GLY 12 Ca -0.11 -2.51 -0.34 0.00 0.00 0.00 0.00 46.02 43.06 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 3.65 0.00 1.61 0.04 -0.85 -4.75 135.00 132.60 1b4r s PRO 13 Ca 0.38 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1b4r s PRO 13 Cb 0.13 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1b4r s PRO 13 CO -0.05 -0.56 0.00 1.58 0.04 0.00 0.00 177.00 178.01 1b4r n HIS 14 N -1.13 0.00 0.00 0.56 -0.00 -1.26 -1.50 115.22 111.88 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 0.59 3.79 1.57 0.00 -1.26 -4.97 105.19 104.91 1b4r n GLY 15 Ca 0.00 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 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 4.25 -0.40 1.61 0.04 -1.26 -5.03 135.00 134.22 1b4r s PRO 16 Ca 0.00 1.35 0.01 0.00 0.04 0.00 0.00 61.00 62.40 1b4r s PRO 16 Cb 0.00 -2.47 0.11 0.00 0.04 0.00 0.00 34.50 32.18 1b4r s PRO 16 CO 0.00 -0.04 0.14 -0.51 0.04 0.00 0.00 177.00 176.64 1b4r s LEU 17 N -2.71 4.92 0.57 -3.56 1.43 -1.26 -5.04 118.68 113.03 1b4r s LEU 17 Ca 0.58 -2.23 -0.04 0.00 -1.03 0.00 0.00 54.13 51.40 1b4r s LEU 17 Cb -0.17 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.35 1b4r s LEU 17 CO 0.22 -0.42 0.86 0.00 0.23 0.00 0.00 176.35 177.24 1b4r s ALA 18 N 0.82 3.42 -0.11 4.21 0.00 -1.26 -1.14 121.76 127.70 1b4r s ALA 18 Ca 0.11 -0.84 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 1b4r s ALA 18 Cb -0.21 -2.47 -0.07 0.00 0.00 0.00 0.00 23.12 20.37 1b4r s ALA 18 CO -0.06 -0.77 2.07 0.45 0.00 0.00 0.00 175.76 177.45 1b4r s SER 19 N -4.32 5.95 0.00 0.00 0.15 0.16 -2.60 113.70 113.03 1b4r s SER 19 Ca 0.54 2.21 0.00 0.00 0.70 0.00 0.00 55.95 59.40 1b4r s SER 19 Cb -0.10 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1b4r s SER 19 CO 0.43 -1.52 0.00 0.61 1.20 0.00 0.00 173.24 173.96 1b4r n GLY 20 N 5.16 1.05 3.13 9.45 0.00 -0.93 -4.96 105.19 118.09 1b4r n GLY 20 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.04 0.73 -0.14 1.61 1.11 0.35 -4.96 119.66 118.32 1b4r s GLN 21 Ca 0.00 -1.06 0.01 0.00 0.01 0.00 0.00 55.36 54.32 1b4r s GLN 21 Cb 0.00 -0.36 -0.01 0.00 -1.01 0.00 0.00 33.01 31.63 1b4r s GLN 21 CO 0.00 0.04 -0.15 -1.17 0.01 0.00 0.00 175.29 174.02 1b4r s LEU 22 N -2.28 2.53 0.17 2.90 2.96 -1.26 -0.71 118.68 122.99 1b4r s LEU 22 Ca 0.01 -0.42 -0.09 0.00 -0.22 0.00 0.00 54.13 53.42 1b4r s LEU 22 Cb -0.03 -1.56 -0.06 0.00 0.50 0.00 0.00 46.19 45.03 1b4r s LEU 22 CO -0.01 0.13 0.47 0.00 -1.32 0.00 0.00 176.35 175.62 1b4r s ALA 23 N 0.54 3.66 -0.24 5.97 0.00 0.49 -4.85 121.76 127.34 1b4r s ALA 23 Ca -0.10 -0.35 -0.08 0.00 0.00 0.00 0.00 51.96 51.43 1b4r s ALA 23 Cb -0.16 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.60 1b4r s ALA 23 CO 0.04 0.56 0.08 0.00 0.00 0.00 0.00 175.76 176.43 1b4r s ALA 24 N -1.65 3.23 0.43 0.00 0.00 -0.56 0.52 121.76 123.73 1b4r s ALA 24 Ca 0.42 -1.06 0.08 0.00 0.00 0.00 0.00 51.96 51.40 1b4r s ALA 24 Cb -0.12 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.91 1b4r s ALA 24 CO 0.21 -0.37 0.43 -0.06 0.00 0.00 0.00 175.76 175.97 1b4r s PHE 25 N 1.39 2.66 -0.28 0.00 0.40 0.89 -2.01 117.98 121.03 1b4r s PHE 25 Ca 0.05 -0.49 -0.25 0.00 -0.60 0.00 0.00 56.93 55.64 1b4r s PHE 25 Cb -0.15 -2.21 0.11 0.00 0.51 0.00 0.00 43.02 41.29 1b4r s PHE 25 CO 0.04 -0.22 0.98 -3.38 0.70 0.00 0.00 175.22 173.34 1b4r s HIS 26 N -2.46 -0.52 0.07 0.36 -3.43 0.18 -1.22 115.29 108.27 1b4r s HIS 26 Ca 0.49 1.27 0.04 0.00 -0.80 0.00 0.00 55.06 56.07 1b4r s HIS 26 Cb -0.05 0.35 -0.04 0.00 -1.43 0.00 0.00 32.58 31.41 1b4r s HIS 26 CO 0.29 -0.25 -0.02 0.42 -2.00 0.00 0.00 174.74 173.17 1b4r s ILE 27 N 0.23 3.91 -0.08 -5.38 -1.09 -0.05 -1.07 121.20 117.69 1b4r s ILE 27 Ca 0.03 -0.95 -0.00 0.00 -2.23 0.00 0.00 60.65 57.49 1b4r s ILE 27 Cb -0.05 -2.83 0.02 0.00 -1.58 0.00 0.00 42.46 38.03 1b4r s ILE 27 CO -0.05 0.18 -0.04 0.00 -1.23 0.00 0.00 174.94 173.81 1b4r s ALA 28 N -1.24 0.89 0.00 9.38 0.00 -0.75 -4.76 121.76 125.28 1b4r s ALA 28 Ca 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1b4r s ALA 28 Cb -0.12 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1b4r s ALA 28 CO 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 175.76 175.59 1b4r n ALA 29 N 4.79 0.00 -1.61 0.00 0.00 -1.26 0.55 120.51 122.97 1b4r n ALA 29 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 1b4r n ALA 29 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 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 2.86 0.00 0.00 -0.04 -1.26 -4.87 135.00 131.69 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 -3.18 0.00 0.00 -0.04 0.00 0.00 33.50 30.28 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 5.83 0.00 -4.01 1.53 4.32 -1.26 -1.84 117.00 121.57 1b4r n LEU 31 Ca 0.55 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 56.13 1b4r n LEU 31 Cb 0.37 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.16 1b4r n LEU 31 CO 0.90 0.00 2.37 -0.81 -1.22 0.00 0.00 177.39 178.63 1b4r n PRO 32 N -2.46 2.75 -3.63 3.23 -0.04 -1.26 -4.95 135.00 128.63 1b4r n PRO 32 Ca 0.00 -2.71 -0.37 0.00 -0.04 0.00 0.00 63.50 60.38 1b4r n PRO 32 Cb 0.00 -3.33 -0.06 0.00 -0.04 0.00 0.00 33.50 30.06 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 5.27 -0.10 0.52 1.01 -0.77 -4.64 120.40 125.77 1b4r s VAL 33 Ca 0.51 0.54 0.04 0.00 0.00 0.00 0.00 61.98 63.08 1b4r s VAL 33 Cb 0.10 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 1b4r s VAL 33 CO -0.01 0.53 0.14 1.07 0.00 0.00 0.00 175.10 176.83 1b4r n THR 34 N 2.46 0.00 -3.64 3.92 5.66 -1.22 -4.38 114.28 117.09 1b4r n THR 34 Ca -0.15 -0.24 -0.02 0.00 -3.05 0.00 0.00 64.05 60.59 1b4r n THR 34 Cb 0.53 0.68 -0.04 0.00 -1.55 0.00 0.00 70.33 69.95 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 -1.89 -2.12 -0.00 1.79 0.00 -1.23 -0.85 121.76 117.46 1b4r s ALA 35 Ca -0.00 1.88 0.01 0.00 0.00 0.00 0.00 51.96 53.85 1b4r s ALA 35 Cb 0.03 -1.52 -0.00 0.00 0.00 0.00 0.00 23.12 21.63 1b4r s ALA 35 CO 0.18 -0.23 -0.04 -0.08 0.00 0.00 0.00 175.76 175.59 1b4r s THR 36 N -0.95 0.31 -0.45 0.00 -1.32 -0.46 -0.84 115.64 111.93 1b4r s THR 36 Ca 0.08 -0.16 -0.20 0.00 -1.21 0.00 0.00 61.69 60.20 1b4r s THR 36 Cb -0.01 -0.27 0.03 0.00 -1.51 0.00 0.00 72.50 70.74 1b4r s THR 36 CO -0.08 0.09 0.60 -0.13 -2.21 0.00 0.00 174.62 172.89 1b4r s ARG 37 N -0.06 3.20 0.72 7.08 0.52 0.16 -1.04 118.95 129.54 1b4r s ARG 37 Ca 0.01 -0.56 0.02 0.00 -0.52 0.00 0.00 55.73 54.68 1b4r s ARG 37 Cb -0.02 -3.99 0.14 0.00 0.52 0.00 0.00 34.95 31.60 1b4r s ARG 37 CO -0.00 -1.02 0.99 -1.58 0.02 0.00 0.00 175.30 173.70 1b4r s TRP 38 N 2.65 1.23 -0.26 -0.53 0.52 0.46 0.35 118.94 123.36 1b4r s TRP 38 Ca 0.19 -0.47 -0.01 0.00 0.02 0.00 0.00 56.10 55.83 1b4r s TRP 38 Cb -0.16 -2.82 0.14 0.00 -1.15 0.00 0.00 33.47 29.48 1b4r s TRP 38 CO 0.16 -1.75 0.37 -0.51 0.02 0.00 0.00 176.95 175.24 1b4r s ASP 39 N -4.79 0.48 -0.04 2.95 1.01 0.10 0.61 116.67 116.99 1b4r s ASP 39 Ca 0.67 -0.04 -0.00 0.00 0.71 0.00 0.00 52.55 53.89 1b4r s ASP 39 Cb -0.04 1.02 -0.00 0.00 1.01 0.00 0.00 42.92 44.90 1b4r s ASP 39 CO 0.44 -0.32 -0.01 -0.26 0.21 0.00 0.00 175.17 175.23 1b4r h PHE 40 N 8.19 0.00 0.00 4.23 0.04 -0.91 -2.69 116.94 125.80 1b4r h PHE 40 Ca -0.16 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.61 1b4r h PHE 40 Cb 1.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.29 1b4r h PHE 40 CO 0.17 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.29 1b4r n GLY 41 N 1.89 0.33 1.38 -1.45 0.00 -0.61 -4.31 105.19 102.42 1b4r n GLY 41 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 3.45 0.00 1.61 5.68 -1.26 -4.72 116.55 121.31 1b4r n ASP 42 Ca 0.00 -2.62 0.00 0.00 -0.50 0.00 0.00 54.79 51.67 1b4r n ASP 42 Cb 0.00 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.35 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 0.07 2.76 3.35 6.12 0.00 -1.26 -4.77 105.19 111.46 1b4r n GLY 43 Ca 0.21 -0.90 -0.45 0.00 0.00 0.00 0.00 46.02 44.88 1b4r n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b4r s SER 44 N -0.16 6.18 0.00 1.61 0.01 -1.26 -5.00 113.70 115.08 1b4r s SER 44 Ca 0.00 -1.57 0.00 0.00 1.31 0.00 0.00 55.95 55.69 1b4r s SER 44 Cb 0.00 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 64.01 1b4r s SER 44 CO 0.00 -0.86 0.00 0.00 0.41 0.00 0.00 173.24 172.79 1b4r n ALA 45 N 5.48 0.00 -1.65 1.44 0.00 -1.26 -1.57 120.51 122.94 1b4r n ALA 45 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 1b4r n ALA 45 Cb 0.42 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 0.93 -3.88 0.00 -0.58 -1.26 -1.58 120.64 114.27 1b4r n GLU 46 Ca 0.00 0.37 -0.15 0.00 -0.42 0.00 0.00 57.16 56.96 1b4r n GLU 46 Cb 0.00 -2.30 -0.15 0.00 -0.57 0.00 0.00 31.44 28.41 1b4r n GLU 46 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1b4r s VAL 47 N -1.49 0.07 -0.63 2.62 1.01 0.20 -4.79 120.40 117.39 1b4r s VAL 47 Ca 0.79 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.83 1b4r s VAL 47 Cb -0.40 -0.15 0.16 0.00 0.00 0.00 0.00 36.38 35.99 1b4r s VAL 47 CO 0.44 0.09 0.45 -1.81 0.00 0.00 0.00 175.10 174.27 1b4r s ASP 48 N 0.72 5.20 0.24 3.32 1.01 -1.26 -0.40 116.67 125.49 1b4r s ASP 48 Ca -0.07 -2.92 -0.06 0.00 0.71 0.00 0.00 52.55 50.21 1b4r s ASP 48 Cb -0.09 -1.84 -0.06 0.00 1.01 0.00 0.00 42.92 41.94 1b4r s ASP 48 CO -0.02 -0.35 0.51 0.00 0.21 0.00 0.00 175.17 175.52 1b4r s ALA 49 N -0.17 3.66 0.29 5.23 0.00 -0.20 -4.95 121.76 125.61 1b4r s ALA 49 Ca 0.18 -0.50 -0.13 0.00 0.00 0.00 0.00 51.96 51.50 1b4r s ALA 49 Cb -0.20 -2.28 -0.08 0.00 0.00 0.00 0.00 23.12 20.56 1b4r s ALA 49 CO -0.03 0.41 0.67 0.00 0.00 0.00 0.00 175.76 176.80 1b4r s ALA 50 N -1.92 3.41 0.00 0.00 0.00 -1.22 -1.35 121.76 120.68 1b4r s ALA 50 Ca 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.31 1b4r s ALA 50 Cb -0.11 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.37 1b4r s ALA 50 CO 0.27 0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.82 1b4r n GLY 51 N -0.32 0.73 1.99 0.00 0.00 -0.03 -1.89 105.19 105.68 1b4r n GLY 51 Ca 0.02 -0.77 -0.17 0.00 0.00 0.00 0.00 46.02 45.10 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 1.87 -3.80 1.61 -0.04 -1.26 -2.95 135.00 130.43 1b4r n PRO 52 Ca 0.00 -1.56 -0.12 0.00 -0.04 0.00 0.00 63.50 61.77 1b4r n PRO 52 Cb 0.00 -1.69 -0.11 0.00 -0.04 0.00 0.00 33.50 31.66 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 -1.49 -0.58 0.00 0.55 0.00 -0.79 -0.87 121.76 118.58 1b4r s ALA 53 Ca 0.36 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1b4r s ALA 53 Cb 0.26 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1b4r s ALA 53 CO -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 175.76 175.54 1b4r n ALA 54 N 2.25 0.00 -3.39 0.00 0.00 -0.36 -3.46 120.51 115.56 1b4r n ALA 54 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.14 1b4r n ALA 54 Cb 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 1b4r n ALA 54 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1b4r s SER 55 N -0.90 -0.49 -0.14 0.00 0.01 -1.26 -0.08 113.70 110.84 1b4r s SER 55 Ca 0.00 0.92 -0.06 0.00 1.31 0.00 0.00 55.95 58.12 1b4r s SER 55 Cb 0.00 0.92 -0.04 0.00 0.21 0.00 0.00 66.02 67.11 1b4r s SER 55 CO 0.00 -0.16 0.08 -1.00 0.41 0.00 0.00 173.24 172.57 1b4r s HIS 56 N 0.38 3.36 -0.68 2.43 3.76 0.18 -4.90 115.29 119.83 1b4r s HIS 56 Ca -0.01 0.27 -0.15 0.00 -0.15 0.00 0.00 55.06 55.02 1b4r s HIS 56 Cb -0.04 -1.98 0.17 0.00 1.11 0.00 0.00 32.58 31.85 1b4r s HIS 56 CO -0.01 0.43 0.62 -0.98 -0.85 0.00 0.00 174.74 173.95 1b4r s ARG 57 N -0.37 3.26 -0.27 1.40 1.70 -1.26 -0.38 118.95 123.04 1b4r s ARG 57 Ca 0.10 -2.09 -0.15 0.00 -0.47 0.00 0.00 55.73 53.12 1b4r s ARG 57 Cb -0.12 -4.34 -0.04 0.00 -0.57 0.00 0.00 34.95 29.88 1b4r s ARG 57 CO 0.02 -1.30 0.38 0.71 -1.08 0.00 0.00 175.30 174.02 1b4r s TYR 58 N 0.87 3.25 -0.02 5.89 2.02 0.12 -4.82 117.35 124.66 1b4r s TYR 58 Ca 0.10 0.43 0.02 0.00 -0.37 0.00 0.00 57.07 57.25 1b4r s TYR 58 Cb -0.20 -2.58 -0.02 0.00 -0.40 0.00 0.00 41.96 38.76 1b4r s TYR 58 CO -0.03 -0.22 0.01 1.55 -1.57 0.00 0.00 175.55 175.29 1b4r n VAL 59 N 5.08 0.12 -3.37 0.71 3.14 -1.26 -0.49 118.33 122.26 1b4r n VAL 59 Ca -0.08 -0.08 -0.36 0.00 -2.96 0.00 0.00 64.34 60.86 1b4r n VAL 59 Cb 0.51 -0.91 -0.06 0.00 -1.06 0.00 0.00 33.84 32.32 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 -4.11 4.39 0.11 6.55 0.20 -1.26 -3.05 118.68 121.52 1b4r s LEU 60 Ca -0.01 1.08 -0.30 0.00 0.69 0.00 0.00 54.13 55.59 1b4r s LEU 60 Cb 0.01 -3.09 -0.06 0.00 -0.43 0.00 0.00 46.19 42.61 1b4r s LEU 60 CO 0.08 0.17 1.10 -2.16 -0.29 0.00 0.00 176.35 175.24 1b4r s PRO 61 N -1.68 4.55 0.00 0.98 0.04 -1.26 -4.77 135.00 132.86 1b4r s PRO 61 Ca 0.34 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1b4r s PRO 61 Cb -0.16 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1b4r s PRO 61 CO 0.18 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.60 1b4r n GLY 62 N 2.55 0.29 3.39 0.56 0.00 0.13 -4.97 105.19 107.15 1b4r n GLY 62 Ca 0.05 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.01 1.47 0.03 1.61 1.04 -1.26 0.21 118.95 121.03 1b4r s ARG 63 Ca 0.00 -1.73 -0.05 0.00 -1.04 0.00 0.00 55.73 52.91 1b4r s ARG 63 Cb 0.00 -1.00 -0.01 0.00 -2.04 0.00 0.00 34.95 31.90 1b4r s ARG 63 CO 0.00 0.02 0.07 0.71 -0.04 0.00 0.00 175.30 176.06 1b4r s TYR 64 N -3.12 0.19 -0.13 5.89 2.02 0.20 -4.92 117.35 117.48 1b4r s TYR 64 Ca 0.28 -0.45 -0.01 0.00 -0.37 0.00 0.00 57.07 56.53 1b4r s TYR 64 Cb 0.04 -0.14 -0.02 0.00 -0.40 0.00 0.00 41.96 41.44 1b4r s TYR 64 CO 0.10 -0.31 -0.11 -1.58 -1.57 0.00 0.00 175.55 172.08 1b4r s HIS 65 N -2.12 2.85 0.13 2.71 5.65 -1.26 -1.31 115.29 121.94 1b4r s HIS 65 Ca -0.09 -0.55 0.09 0.00 0.25 0.00 0.00 55.06 54.76 1b4r s HIS 65 Cb -0.04 -1.86 -0.04 0.00 -1.18 0.00 0.00 32.58 29.46 1b4r s HIS 65 CO -0.03 -0.16 -0.17 0.08 -0.65 0.00 0.00 174.74 173.82 1b4r s VAL 66 N 0.31 2.89 0.05 0.89 1.01 0.10 -4.52 120.40 121.13 1b4r s VAL 66 Ca -0.09 -1.52 -0.09 0.00 0.00 0.00 0.00 61.98 60.28 1b4r s VAL 66 Cb -0.15 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1b4r s VAL 66 CO 0.05 0.07 0.20 0.42 0.00 0.00 0.00 175.10 175.84 1b4r s THR 67 N -1.22 0.11 0.09 3.92 -4.23 -1.01 -0.15 115.64 113.14 1b4r s THR 67 Ca 0.19 -0.93 -0.13 0.00 -1.18 0.00 0.00 61.69 59.64 1b4r s THR 67 Cb -0.10 -0.97 0.02 0.00 1.34 0.00 0.00 72.50 72.79 1b4r s THR 67 CO 0.11 -0.51 0.31 0.00 -0.54 0.00 0.00 174.62 173.98 1b4r s ALA 68 N -2.74 -0.64 -0.07 3.99 0.00 -0.57 0.02 121.76 121.74 1b4r s ALA 68 Ca -0.04 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.73 1b4r s ALA 68 Cb -0.00 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.66 1b4r s ALA 68 CO -0.05 -0.54 -0.10 0.08 0.00 0.00 0.00 175.76 175.16 1b4r s VAL 69 N -3.47 1.01 0.11 0.00 1.01 0.16 0.30 120.40 119.51 1b4r s VAL 69 Ca 0.01 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 1b4r s VAL 69 Cb 0.02 -0.97 -0.07 0.00 0.00 0.00 0.00 36.38 35.37 1b4r s VAL 69 CO -0.09 0.34 0.58 -0.76 0.00 0.00 0.00 175.10 175.17 1b4r s LEU 70 N 0.99 4.46 -0.21 3.92 2.01 -0.46 0.38 118.68 129.76 1b4r s LEU 70 Ca -0.09 1.23 -0.01 0.00 0.01 0.00 0.00 54.13 55.28 1b4r s LEU 70 Cb -0.15 -3.08 0.06 0.00 0.01 0.00 0.00 46.19 43.03 1b4r s LEU 70 CO -0.00 0.20 -0.01 0.00 1.01 0.00 0.00 176.35 177.55 1b4r s ALA 71 N -1.26 1.45 -0.65 4.21 0.00 -0.02 -3.25 121.76 122.25 1b4r s ALA 71 Ca 0.33 -0.99 0.15 0.00 0.00 0.00 0.00 51.96 51.46 1b4r s ALA 71 Cb -0.18 -1.28 -0.18 0.00 0.00 0.00 0.00 23.12 21.48 1b4r s ALA 71 CO 0.19 -1.15 0.62 1.28 0.00 0.00 0.00 175.76 176.71 1b4r n LEU 72 N 4.87 0.65 0.00 0.00 4.32 -0.31 -3.38 117.00 123.15 1b4r n LEU 72 Ca -0.10 -0.44 0.00 0.00 -0.02 0.00 0.00 56.01 55.44 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 0.16 0.00 0.61 -1.22 0.00 0.00 177.39 177.09 1b4r n GLY 73 N 1.39 3.18 0.05 -0.72 0.00 -1.26 -4.62 105.19 103.21 1b4r n GLY 73 Ca 0.02 -0.88 0.01 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.12 4.61 0.00 -1.26 -5.04 120.51 119.11 1b4r n ALA 74 Ca 0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.09 1b4r n ALA 74 Cb 0.00 -0.10 -0.10 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 -0.83 0.71 0.35 0.00 0.00 -1.26 -5.17 107.32 101.11 1b4r s GLY 75 Ca 0.02 -1.33 -0.05 0.00 0.00 0.00 0.00 44.72 43.36 1b4r s GLY 75 CO 0.08 -1.34 0.54 -1.14 0.00 0.00 0.00 173.10 171.24 1b4r n SER 76 N 0.01 -1.52 -3.84 1.64 3.41 -1.26 -1.16 113.62 110.91 1b4r n SER 76 Ca -0.10 -2.74 -0.09 0.00 -0.26 0.00 0.00 58.87 55.68 1b4r n SER 76 Cb 0.62 2.73 -0.04 0.00 -0.26 0.00 0.00 64.21 67.26 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 -2.55 -0.69 -0.08 7.33 0.00 -1.20 -4.82 121.76 119.75 1b4r s ALA 77 Ca 0.25 -0.46 0.05 0.00 0.00 0.00 0.00 51.96 51.80 1b4r s ALA 77 Cb -0.02 0.90 -0.01 0.00 0.00 0.00 0.00 23.12 24.00 1b4r s ALA 77 CO 0.18 -0.82 -0.24 -0.51 0.00 0.00 0.00 175.76 174.37 1b4r s LEU 78 N -2.92 2.09 0.23 0.00 1.43 -1.26 -1.36 118.68 116.89 1b4r s LEU 78 Ca 0.13 -0.53 0.11 0.00 -1.03 0.00 0.00 54.13 52.81 1b4r s LEU 78 Cb -0.01 -1.39 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 1b4r s LEU 78 CO 0.01 0.20 -0.15 -0.22 0.23 0.00 0.00 176.35 176.42 1b4r s LEU 79 N 0.08 2.75 -0.33 1.79 1.98 0.15 -4.00 118.68 121.10 1b4r s LEU 79 Ca -0.11 -0.81 -0.04 0.00 -2.89 0.00 0.00 54.13 50.28 1b4r s LEU 79 Cb -0.16 -1.36 0.19 0.00 0.66 0.00 0.00 46.19 45.52 1b4r s LEU 79 CO 0.06 0.07 0.89 -0.83 -1.89 0.00 0.00 176.35 174.65 1b4r s GLY 80 N -3.16 -1.24 0.18 7.98 0.00 -1.25 -1.52 107.32 108.31 1b4r s GLY 80 Ca 0.27 1.31 0.01 0.00 0.00 0.00 0.00 44.72 46.31 1b4r s GLY 80 CO 0.15 4.01 0.05 -1.30 0.00 0.00 0.00 173.10 176.00 1b4r n THR 81 N 4.61 0.00 -3.73 0.90 -2.24 0.78 -4.91 114.28 109.69 1b4r n THR 81 Ca 0.08 -0.80 -0.12 0.00 -2.27 0.00 0.00 64.05 60.93 1b4r n THR 81 Cb 0.59 -0.01 -0.07 0.00 -2.10 0.00 0.00 70.33 68.73 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 -2.02 -0.18 0.05 3.42 -4.77 -1.26 0.03 116.67 111.94 1b4r s ASP 82 Ca 0.04 -0.07 0.01 0.00 -3.30 0.00 0.00 52.55 49.22 1b4r s ASP 82 Cb -0.00 0.37 -0.03 0.00 -1.09 0.00 0.00 42.92 42.16 1b4r s ASP 82 CO 0.02 -0.59 -0.05 0.54 0.70 0.00 0.00 175.17 175.79 1b4r s VAL 83 N -2.25 0.38 -0.34 2.11 0.11 -0.42 -4.94 120.40 115.05 1b4r s VAL 83 Ca -0.07 -1.37 0.03 0.00 -2.93 0.00 0.00 61.98 57.64 1b4r s VAL 83 Cb -0.02 -0.93 0.10 0.00 -1.53 0.00 0.00 36.38 34.00 1b4r s VAL 83 CO -0.01 -0.65 0.07 -1.58 -3.33 0.00 0.00 175.10 169.59 1b4r s GLN 84 N -2.52 1.29 0.09 1.54 0.74 -1.26 -0.63 119.66 118.90 1b4r s GLN 84 Ca -0.04 -1.69 -0.23 0.00 0.05 0.00 0.00 55.36 53.46 1b4r s GLN 84 Cb -0.03 -2.90 -0.07 0.00 1.10 0.00 0.00 33.01 31.12 1b4r s GLN 84 CO -0.03 -0.96 0.70 0.08 -0.55 0.00 0.00 175.29 174.53 1b4r s VAL 85 N 1.06 4.63 0.18 1.34 1.01 0.13 -4.66 120.40 124.10 1b4r s VAL 85 Ca 0.11 1.51 0.08 0.00 0.00 0.00 0.00 61.98 63.68 1b4r s VAL 85 Cb -0.19 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1b4r s VAL 85 CO -0.12 0.47 -0.06 -1.61 0.00 0.00 0.00 175.10 173.78 1b4r s GLU 86 N -0.69 2.18 0.00 2.72 0.41 -0.30 -0.69 118.70 122.33 1b4r s GLU 86 Ca 0.34 -1.21 0.24 0.00 -0.41 0.00 0.00 54.97 53.94 1b4r s GLU 86 Cb -0.21 -2.23 0.26 0.00 -1.78 0.00 0.00 34.13 30.17 1b4r s GLU 86 CO 0.22 0.44 1.30 0.00 -0.49 0.00 0.00 175.26 176.73