#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 3.37 -0.67 0.00 -1.32 0.15 -4.66 115.64 112.51 1b4r s THR 9 Ca 0.00 0.86 -0.20 0.00 -1.21 0.00 0.00 61.69 61.14 1b4r s THR 9 Cb 0.00 -3.35 0.10 0.00 -1.51 0.00 0.00 72.50 67.74 1b4r s THR 9 CO 0.00 -0.18 0.84 -0.76 -2.21 0.00 0.00 174.62 172.31 1b4r s LEU 10 N -3.66 5.11 -0.44 9.08 1.02 -1.26 -1.77 118.68 126.75 1b4r s LEU 10 Ca 0.71 -1.44 -0.07 0.00 0.02 0.00 0.00 54.13 53.35 1b4r s LEU 10 Cb -0.22 -2.35 0.11 0.00 0.02 0.00 0.00 46.19 43.76 1b4r s LEU 10 CO 0.25 -1.19 0.28 -0.69 0.02 0.00 0.00 176.35 175.02 1b4r s VAL 11 N 2.99 3.92 -0.77 -1.59 1.01 -0.21 -4.99 120.40 120.76 1b4r s VAL 11 Ca 0.18 -1.77 0.03 0.00 0.00 0.00 0.00 61.98 60.41 1b4r s VAL 11 Cb -0.19 -3.56 0.23 0.00 0.00 0.00 0.00 36.38 32.86 1b4r s VAL 11 CO 0.05 -0.68 0.76 0.61 0.00 0.00 0.00 175.10 175.84 1b4r n GLY 12 N 4.81 4.45 3.78 4.51 0.00 -1.26 0.56 105.19 122.05 1b4r n GLY 12 Ca -0.07 -2.67 -0.35 0.00 0.00 0.00 0.00 46.02 42.93 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 -1.95 3.73 0.00 1.61 0.04 -1.01 -4.64 135.00 132.78 1b4r s PRO 13 Ca 0.32 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1b4r s PRO 13 Cb 0.03 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1b4r s PRO 13 CO -0.08 -0.52 0.00 1.58 0.04 0.00 0.00 177.00 178.02 1b4r n HIS 14 N -0.83 0.00 0.00 0.56 -0.00 -1.26 -1.66 115.22 112.04 1b4r n HIS 14 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 1b4r n HIS 14 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.50 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 0.81 3.80 1.57 0.00 -1.26 -4.95 105.19 105.17 1b4r n GLY 15 Ca 0.00 -1.69 -0.34 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 4.05 -0.21 1.61 0.04 -1.26 -5.05 135.00 134.18 1b4r s PRO 16 Ca 0.00 1.29 -0.00 0.00 0.04 0.00 0.00 61.00 62.33 1b4r s PRO 16 Cb 0.00 -2.22 0.02 0.00 0.04 0.00 0.00 34.50 32.34 1b4r s PRO 16 CO 0.00 -0.20 -0.13 -0.51 0.04 0.00 0.00 177.00 176.19 1b4r s LEU 17 N -3.18 2.67 0.51 -3.56 1.43 -1.26 -5.04 118.68 110.24 1b4r s LEU 17 Ca 0.63 -0.77 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 1b4r s LEU 17 Cb -0.14 -1.57 0.02 0.00 0.03 0.00 0.00 46.19 44.53 1b4r s LEU 17 CO 0.18 -0.06 0.73 0.00 0.23 0.00 0.00 176.35 177.43 1b4r s ALA 18 N 1.30 3.94 -0.07 4.21 0.00 -1.26 -0.73 121.76 129.14 1b4r s ALA 18 Ca 0.02 -1.31 -0.32 0.00 0.00 0.00 0.00 51.96 50.35 1b4r s ALA 18 Cb -0.15 -2.04 -0.10 0.00 0.00 0.00 0.00 23.12 20.83 1b4r s ALA 18 CO -0.09 -0.61 1.96 0.45 0.00 0.00 0.00 175.76 177.47 1b4r n SER 19 N -2.23 3.60 -0.44 0.00 2.88 0.20 -1.68 113.62 115.95 1b4r n SER 19 Ca 0.06 0.86 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 1b4r n SER 19 Cb 0.59 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 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 4.67 0.81 3.62 0.46 0.00 -0.06 -4.92 105.19 109.77 1b4r n GLY 20 Ca 0.23 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.02 2.27 -0.40 1.61 2.00 0.67 -4.94 119.66 117.84 1b4r s GLN 21 Ca 0.00 -1.00 -0.05 0.00 -2.00 0.00 0.00 55.36 52.32 1b4r s GLN 21 Cb 0.00 -2.37 0.09 0.00 0.80 0.00 0.00 33.01 31.54 1b4r s GLN 21 CO 0.00 0.51 0.19 -1.17 -0.50 0.00 0.00 175.29 174.32 1b4r s LEU 22 N -2.36 5.05 0.42 3.68 1.98 -1.26 -1.24 118.68 124.95 1b4r s LEU 22 Ca 0.24 -1.79 -0.09 0.00 -2.89 0.00 0.00 54.13 49.60 1b4r s LEU 22 Cb -0.11 -1.86 -0.05 0.00 0.66 0.00 0.00 46.19 44.83 1b4r s LEU 22 CO 0.16 -0.51 0.77 0.00 -1.89 0.00 0.00 176.35 174.88 1b4r s ALA 23 N 1.24 3.37 -0.28 5.97 0.00 0.31 -4.85 121.76 127.52 1b4r s ALA 23 Ca 0.05 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.73 1b4r s ALA 23 Cb -0.23 -2.66 0.06 0.00 0.00 0.00 0.00 23.12 20.30 1b4r s ALA 23 CO -0.02 -0.11 -0.07 0.00 0.00 0.00 0.00 175.76 175.56 1b4r s ALA 24 N -2.48 2.66 0.46 0.00 0.00 -0.66 0.29 121.76 122.03 1b4r s ALA 24 Ca 0.50 -1.86 0.04 0.00 0.00 0.00 0.00 51.96 50.63 1b4r s ALA 24 Cb -0.10 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.33 1b4r s ALA 24 CO 0.36 -1.27 0.66 -0.06 0.00 0.00 0.00 175.76 175.44 1b4r s PHE 25 N 1.11 2.96 -0.24 0.00 0.40 0.19 -2.40 117.98 119.99 1b4r s PHE 25 Ca -0.06 -0.10 -0.26 0.00 -0.60 0.00 0.00 56.93 55.91 1b4r s PHE 25 Cb -0.20 -2.46 0.11 0.00 0.51 0.00 0.00 43.02 40.98 1b4r s PHE 25 CO -0.05 -0.53 0.94 -3.38 0.70 0.00 0.00 175.22 172.91 1b4r s HIS 26 N -2.53 -0.53 0.20 0.36 -3.43 0.19 -1.67 115.29 107.89 1b4r s HIS 26 Ca 0.53 1.21 0.07 0.00 -0.80 0.00 0.00 55.06 56.07 1b4r s HIS 26 Cb -0.10 0.36 -0.04 0.00 -1.43 0.00 0.00 32.58 31.37 1b4r s HIS 26 CO 0.36 -0.31 0.12 0.42 -2.00 0.00 0.00 174.74 173.33 1b4r s ILE 27 N -0.08 4.23 -0.07 -5.38 -1.09 0.83 -1.05 121.20 118.60 1b4r s ILE 27 Ca 0.01 -1.33 -0.01 0.00 -2.23 0.00 0.00 60.65 57.09 1b4r s ILE 27 Cb -0.04 -3.20 0.03 0.00 -1.58 0.00 0.00 42.46 37.67 1b4r s ILE 27 CO -0.02 -0.21 -0.01 0.00 -1.23 0.00 0.00 174.94 173.47 1b4r s ALA 28 N -1.92 0.77 0.00 9.38 0.00 -0.73 -4.78 121.76 124.48 1b4r s ALA 28 Ca 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1b4r s ALA 28 Cb -0.09 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1b4r s ALA 28 CO 0.23 -0.43 0.00 0.00 0.00 0.00 0.00 175.76 175.56 1b4r n ALA 29 N 5.06 0.00 -2.24 0.00 0.00 -1.26 0.31 120.51 122.38 1b4r n ALA 29 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.97 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 2.57 -0.30 0.00 -0.04 -1.26 -4.83 135.00 131.14 1b4r n PRO 30 Ca 0.00 -2.87 -0.01 0.00 -0.04 0.00 0.00 63.50 60.59 1b4r n PRO 30 Cb 0.00 -3.51 0.03 0.00 -0.04 0.00 0.00 33.50 29.99 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 9.90 -0.49 -3.33 1.53 4.32 -1.26 -1.71 117.00 125.96 1b4r n LEU 31 Ca 0.48 1.35 -0.37 0.00 -0.02 0.00 0.00 56.01 57.45 1b4r n LEU 31 Cb 0.45 -0.31 -0.03 0.00 -1.62 0.00 0.00 43.42 41.91 1b4r n LEU 31 CO 0.77 -1.21 3.21 -0.81 -1.22 0.00 0.00 177.39 178.13 1b4r n PRO 32 N -5.14 3.41 -3.32 3.23 -0.04 -1.26 -4.94 135.00 126.93 1b4r n PRO 32 Ca 0.08 -2.13 -0.35 0.00 -0.04 0.00 0.00 63.50 61.06 1b4r n PRO 32 Cb 0.31 -2.79 -0.06 0.00 -0.04 0.00 0.00 33.50 30.92 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 2.44 4.81 -0.04 0.52 1.01 -0.69 -4.90 120.40 123.56 1b4r s VAL 33 Ca 0.64 0.88 0.03 0.00 0.00 0.00 0.00 61.98 63.53 1b4r s VAL 33 Cb 0.17 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1b4r s VAL 33 CO -0.06 0.21 0.00 1.07 0.00 0.00 0.00 175.10 176.32 1b4r n THR 34 N 0.71 0.24 -3.67 3.92 5.66 -1.26 -4.36 114.28 115.52 1b4r n THR 34 Ca -0.04 -0.14 -0.13 0.00 -3.05 0.00 0.00 64.05 60.69 1b4r n THR 34 Cb 0.52 -0.86 -0.08 0.00 -1.55 0.00 0.00 70.33 68.36 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 -2.08 -1.52 0.13 1.79 0.00 -1.25 -1.47 121.76 117.35 1b4r s ALA 35 Ca -0.03 1.78 0.09 0.00 0.00 0.00 0.00 51.96 53.80 1b4r s ALA 35 Cb 0.01 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 1b4r s ALA 35 CO 0.13 -0.30 -0.21 -0.08 0.00 0.00 0.00 175.76 175.31 1b4r s THR 36 N 0.48 1.85 -0.35 0.00 -1.32 -0.43 -1.47 115.64 114.41 1b4r s THR 36 Ca -0.01 -1.72 0.02 0.00 -1.21 0.00 0.00 61.69 58.77 1b4r s THR 36 Cb -0.05 -1.73 0.10 0.00 -1.51 0.00 0.00 72.50 69.31 1b4r s THR 36 CO -0.02 -0.13 0.07 -0.13 -2.21 0.00 0.00 174.62 172.20 1b4r s ARG 37 N -2.26 1.71 0.81 7.08 0.52 0.60 -0.47 118.95 126.95 1b4r s ARG 37 Ca 0.11 -1.79 -0.06 0.00 -0.52 0.00 0.00 55.73 53.47 1b4r s ARG 37 Cb -0.09 -3.26 0.17 0.00 0.52 0.00 0.00 34.95 32.29 1b4r s ARG 37 CO 0.06 -0.92 1.10 0.91 0.02 0.00 0.00 175.30 176.47 1b4r n TRP 38 N 4.36 -3.33 -3.37 -0.53 7.02 0.73 0.15 117.44 122.47 1b4r n TRP 38 Ca 0.00 -1.52 -0.14 0.00 -1.02 0.00 0.00 57.50 54.82 1b4r n TRP 38 Cb 0.42 -0.83 -0.09 0.00 -2.42 0.00 0.00 31.31 28.40 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 -5.29 1.13 -0.10 -0.99 1.01 0.13 0.30 116.67 112.85 1b4r s ASP 39 Ca 0.69 -0.51 -0.01 0.00 0.71 0.00 0.00 52.55 53.43 1b4r s ASP 39 Cb -0.03 0.74 -0.00 0.00 1.01 0.00 0.00 42.92 44.64 1b4r s ASP 39 CO 0.46 -0.37 -0.00 -0.26 0.21 0.00 0.00 175.17 175.22 1b4r h PHE 40 N 8.23 0.00 0.00 4.23 0.04 -1.15 -2.63 116.94 125.65 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 1.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.25 1b4r h PHE 40 CO 0.25 0.01 0.00 0.41 -0.60 0.00 0.00 178.31 178.38 1b4r n GLY 41 N 1.77 0.66 0.00 -1.45 0.00 -0.49 -4.27 105.19 101.41 1b4r n GLY 41 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 1.06 0.00 0.20 1.61 5.68 -1.26 -4.86 116.55 118.97 1b4r n ASP 42 Ca 0.00 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.39 1b4r n ASP 42 Cb 0.00 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.12 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 -6.34 6.12 0.00 -1.96 -3.44 103.07 97.46 1b4r h GLY 43 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 1b4r h GLY 43 CO 0.00 0.00 -0.75 -1.35 0.00 0.00 0.00 176.54 174.44 1b4r s SER 44 N -6.23 0.50 0.00 0.19 1.04 -1.26 -5.09 113.70 102.84 1b4r s SER 44 Ca 0.06 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1b4r s SER 44 Cb 0.06 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1b4r s SER 44 CO 0.69 -0.09 0.00 0.00 0.98 0.00 0.00 173.24 174.82 1b4r n ALA 45 N 4.08 0.00 -1.61 5.32 0.00 -1.26 -1.40 120.51 125.63 1b4r n ALA 45 Ca -0.26 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.81 1b4r n ALA 45 Cb 0.51 0.00 0.07 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 -0.28 0.90 -3.69 0.00 1.02 -1.26 -1.06 120.64 116.27 1b4r n GLU 46 Ca 0.00 0.36 -0.26 0.00 -0.02 0.00 0.00 57.16 57.24 1b4r n GLU 46 Cb 0.00 -2.35 -0.17 0.00 -0.02 0.00 0.00 31.44 28.90 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 -1.52 0.23 -0.70 2.62 1.01 0.15 -4.75 120.40 117.43 1b4r s VAL 47 Ca 0.79 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 62.36 1b4r s VAL 47 Cb -0.38 -0.72 0.14 0.00 0.00 0.00 0.00 36.38 35.42 1b4r s VAL 47 CO 0.44 -0.13 0.76 -1.81 0.00 0.00 0.00 175.10 174.36 1b4r s ASP 48 N 2.00 6.41 0.44 3.32 1.11 -1.26 -0.19 116.67 128.49 1b4r s ASP 48 Ca 0.01 -1.92 0.07 0.00 0.18 0.00 0.00 52.55 50.90 1b4r s ASP 48 Cb -0.16 -2.28 -0.01 0.00 1.07 0.00 0.00 42.92 41.54 1b4r s ASP 48 CO -0.07 -0.93 0.38 0.00 1.18 0.00 0.00 175.17 175.73 1b4r s ALA 49 N 1.85 4.09 0.13 5.23 0.00 0.38 -4.98 121.76 128.47 1b4r s ALA 49 Ca 0.15 -1.84 0.04 0.00 0.00 0.00 0.00 51.96 50.31 1b4r s ALA 49 Cb -0.18 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 1b4r s ALA 49 CO -0.01 -0.27 0.13 0.00 0.00 0.00 0.00 175.76 175.61 1b4r s ALA 50 N -2.53 3.61 0.00 0.00 0.00 -1.24 -1.31 121.76 120.29 1b4r s ALA 50 Ca 0.46 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1b4r s ALA 50 Cb -0.02 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1b4r s ALA 50 CO 0.27 0.60 0.00 0.41 0.00 0.00 0.00 175.76 177.03 1b4r n GLY 51 N -0.08 0.74 1.94 0.00 0.00 -0.55 -1.98 105.19 105.27 1b4r n GLY 51 Ca -0.08 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.00 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 1.82 -3.94 1.61 -0.04 -1.26 -3.02 135.00 130.17 1b4r n PRO 52 Ca 0.00 -1.51 -0.10 0.00 -0.04 0.00 0.00 63.50 61.86 1b4r n PRO 52 Cb 0.00 -1.64 -0.10 0.00 -0.04 0.00 0.00 33.50 31.72 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 -1.54 -0.04 -0.23 0.55 0.00 -0.84 -0.12 121.76 119.55 1b4r s ALA 53 Ca 0.33 -0.51 -0.32 0.00 0.00 0.00 0.00 51.96 51.46 1b4r s ALA 53 Cb 0.24 0.19 0.16 0.00 0.00 0.00 0.00 23.12 23.72 1b4r s ALA 53 CO -0.03 -0.26 1.24 0.00 0.00 0.00 0.00 175.76 176.71 1b4r s ALA 54 N -2.14 -2.07 0.29 0.00 0.00 -0.67 -3.68 121.76 113.49 1b4r s ALA 54 Ca -0.09 1.73 0.09 0.00 0.00 0.00 0.00 51.96 53.69 1b4r s ALA 54 Cb -0.04 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1b4r s ALA 54 CO -0.03 -0.41 0.02 -1.12 0.00 0.00 0.00 175.76 174.23 1b4r s SER 55 N -1.53 4.49 -0.04 0.00 0.01 -1.26 0.53 113.70 115.90 1b4r s SER 55 Ca 0.07 -0.74 0.03 0.00 1.31 0.00 0.00 55.95 56.63 1b4r s SER 55 Cb -0.01 -0.76 -0.03 0.00 0.21 0.00 0.00 66.02 65.43 1b4r s SER 55 CO -0.05 -0.10 -0.12 -1.00 0.41 0.00 0.00 173.24 172.38 1b4r s HIS 56 N -2.38 2.76 -0.52 2.43 3.76 0.15 -4.83 115.29 116.67 1b4r s HIS 56 Ca 0.33 -0.11 0.00 0.00 -0.15 0.00 0.00 55.06 55.13 1b4r s HIS 56 Cb -0.05 -1.62 0.13 0.00 1.11 0.00 0.00 32.58 32.15 1b4r s HIS 56 CO 0.20 0.25 0.29 -0.98 -0.85 0.00 0.00 174.74 173.65 1b4r s ARG 57 N -0.93 2.13 -0.12 1.40 3.03 -1.26 -0.53 118.95 122.67 1b4r s ARG 57 Ca 0.13 -2.35 -0.13 0.00 2.03 0.00 0.00 55.73 55.40 1b4r s ARG 57 Cb -0.11 -3.50 -0.05 0.00 -1.03 0.00 0.00 34.95 30.26 1b4r s ARG 57 CO 0.02 -1.10 0.30 0.71 -1.13 0.00 0.00 175.30 174.10 1b4r s TYR 58 N 0.20 3.54 -0.05 5.89 2.02 -0.37 -3.93 117.35 124.64 1b4r s TYR 58 Ca 0.15 0.68 -0.00 0.00 -0.37 0.00 0.00 57.07 57.53 1b4r s TYR 58 Cb -0.22 -2.28 -0.03 0.00 -0.40 0.00 0.00 41.96 39.02 1b4r s TYR 58 CO -0.03 0.39 -0.05 0.28 -1.57 0.00 0.00 175.55 174.57 1b4r n VAL 59 N 2.99 0.28 -3.21 0.71 0.31 -1.26 -0.24 118.33 117.90 1b4r n VAL 59 Ca -0.13 -0.10 -0.35 0.00 -0.01 0.00 0.00 64.34 63.75 1b4r n VAL 59 Cb 0.52 -0.82 -0.06 0.00 -0.91 0.00 0.00 33.84 32.58 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 -5.45 4.30 0.01 7.52 0.20 -1.26 -2.36 118.68 121.65 1b4r s LEU 60 Ca -0.07 1.25 -0.30 0.00 0.69 0.00 0.00 54.13 55.71 1b4r s LEU 60 Cb 0.02 -3.53 -0.04 0.00 -0.43 0.00 0.00 46.19 42.22 1b4r s LEU 60 CO 0.11 0.03 1.04 -2.16 -0.29 0.00 0.00 176.35 175.08 1b4r s PRO 61 N -2.12 4.52 0.00 0.98 0.04 -1.26 -4.74 135.00 132.42 1b4r s PRO 61 Ca 0.42 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1b4r s PRO 61 Cb -0.15 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.95 1b4r s PRO 61 CO 0.20 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.52 1b4r n GLY 62 N 3.00 -0.29 2.92 0.56 0.00 0.49 -4.93 105.19 106.94 1b4r n GLY 62 Ca 0.07 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.38 1.25 0.24 1.61 0.52 -1.26 0.13 118.95 120.07 1b4r s ARG 63 Ca 0.00 -0.22 0.08 0.00 -0.52 0.00 0.00 55.73 55.08 1b4r s ARG 63 Cb 0.00 -1.22 -0.04 0.00 0.52 0.00 0.00 34.95 34.21 1b4r s ARG 63 CO 0.00 -0.12 0.05 0.71 0.02 0.00 0.00 175.30 175.96 1b4r s TYR 64 N 1.15 2.84 -0.13 -0.53 1.51 -0.13 -4.93 117.35 117.13 1b4r s TYR 64 Ca -0.07 -0.17 -0.02 0.00 -1.01 0.00 0.00 57.07 55.81 1b4r s TYR 64 Cb -0.14 -1.29 -0.02 0.00 -0.11 0.00 0.00 41.96 40.40 1b4r s TYR 64 CO -0.01 0.57 -0.08 -1.58 -1.11 0.00 0.00 175.55 173.34 1b4r s HIS 65 N -2.14 2.93 0.14 2.71 5.65 -1.26 -1.58 115.29 121.75 1b4r s HIS 65 Ca 0.31 -0.34 0.08 0.00 0.25 0.00 0.00 55.06 55.36 1b4r s HIS 65 Cb -0.07 -1.87 -0.04 0.00 -1.18 0.00 0.00 32.58 29.42 1b4r s HIS 65 CO 0.21 -0.01 -0.11 0.08 -0.65 0.00 0.00 174.74 174.25 1b4r s VAL 66 N 0.11 3.19 0.08 0.89 1.01 0.11 -4.52 120.40 121.26 1b4r s VAL 66 Ca -0.03 -1.50 -0.10 0.00 0.00 0.00 0.00 61.98 60.35 1b4r s VAL 66 Cb -0.14 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1b4r s VAL 66 CO 0.03 0.00 0.22 0.42 0.00 0.00 0.00 175.10 175.78 1b4r s THR 67 N -1.44 0.13 -0.23 3.92 -4.23 -0.99 0.06 115.64 112.85 1b4r s THR 67 Ca 0.22 -1.03 -0.08 0.00 -1.18 0.00 0.00 61.69 59.62 1b4r s THR 67 Cb -0.10 -1.23 0.10 0.00 1.34 0.00 0.00 72.50 72.62 1b4r s THR 67 CO 0.14 -0.57 0.49 0.00 -0.54 0.00 0.00 174.62 174.14 1b4r s ALA 68 N -3.56 -1.44 -0.31 3.99 0.00 -0.55 0.19 121.76 120.08 1b4r s ALA 68 Ca 0.02 1.78 -0.04 0.00 0.00 0.00 0.00 51.96 53.73 1b4r s ALA 68 Cb 0.03 -1.46 0.04 0.00 0.00 0.00 0.00 23.12 21.74 1b4r s ALA 68 CO -0.09 -0.79 0.03 0.54 0.00 0.00 0.00 175.76 175.45 1b4r s VAL 69 N 2.65 3.30 0.21 0.00 0.11 0.12 0.82 120.40 127.61 1b4r s VAL 69 Ca -0.03 -1.21 -0.14 0.00 -2.93 0.00 0.00 61.98 57.66 1b4r s VAL 69 Cb -0.12 -2.85 -0.08 0.00 -1.53 0.00 0.00 36.38 31.81 1b4r s VAL 69 CO -0.15 -0.08 0.61 -0.76 -3.33 0.00 0.00 175.10 171.39 1b4r s LEU 70 N 1.33 4.26 -0.18 2.54 1.43 -0.41 -0.29 118.68 127.36 1b4r s LEU 70 Ca -0.03 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 1b4r s LEU 70 Cb -0.19 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.53 1b4r s LEU 70 CO 0.00 0.00 -0.10 0.00 0.23 0.00 0.00 176.35 176.49 1b4r s ALA 71 N -1.63 1.84 -0.53 4.21 0.00 -0.54 -2.96 121.76 122.15 1b4r s ALA 71 Ca 0.43 -1.04 0.18 0.00 0.00 0.00 0.00 51.96 51.53 1b4r s ALA 71 Cb -0.14 -1.19 -0.22 0.00 0.00 0.00 0.00 23.12 21.57 1b4r s ALA 71 CO 0.20 -0.71 0.62 1.28 0.00 0.00 0.00 175.76 177.15 1b4r n LEU 72 N 4.75 0.52 0.00 0.00 4.32 -0.38 -3.96 117.00 122.25 1b4r n LEU 72 Ca -0.14 -0.31 0.00 0.00 -0.02 0.00 0.00 56.01 55.53 1b4r n LEU 72 Cb 0.48 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 1b4r n LEU 72 CO 0.19 0.13 0.00 0.61 -1.22 0.00 0.00 177.39 177.10 1b4r n GLY 73 N 1.44 3.35 0.04 -0.72 0.00 -1.26 -4.68 105.19 103.35 1b4r n GLY 73 Ca 0.01 -0.95 0.01 0.00 0.00 0.00 0.00 46.02 45.09 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 2.36 -2.32 4.61 0.00 -1.26 -5.04 120.51 118.86 1b4r n ALA 74 Ca 0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.11 1b4r n ALA 74 Cb 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.76 0.44 0.23 0.00 0.00 -1.26 -5.17 107.32 100.80 1b4r s GLY 75 Ca 0.01 -1.03 -0.13 0.00 0.00 0.00 0.00 44.72 43.58 1b4r s GLY 75 CO 0.06 -1.11 0.45 -1.35 0.00 0.00 0.00 173.10 171.15 1b4r s SER 76 N -2.93 -0.09 -0.02 1.64 1.04 -1.26 -1.25 113.70 110.84 1b4r s SER 76 Ca 0.10 -0.88 -0.01 0.00 0.48 0.00 0.00 55.95 55.64 1b4r s SER 76 Cb 0.06 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.76 1b4r s SER 76 CO -0.07 -1.09 0.04 0.00 0.98 0.00 0.00 173.24 173.09 1b4r s ALA 77 N -4.00 -0.03 -0.16 5.32 0.00 -1.16 -4.88 121.76 116.85 1b4r s ALA 77 Ca 0.21 0.19 -0.08 0.00 0.00 0.00 0.00 51.96 52.28 1b4r s ALA 77 Cb -0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1b4r s ALA 77 CO 0.07 -0.05 0.10 -0.51 0.00 0.00 0.00 175.76 175.36 1b4r s LEU 78 N 0.44 4.08 0.20 0.00 1.43 -1.25 -1.29 118.68 122.28 1b4r s LEU 78 Ca -0.04 0.24 0.10 0.00 -1.03 0.00 0.00 54.13 53.41 1b4r s LEU 78 Cb -0.05 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1b4r s LEU 78 CO -0.01 0.26 -0.21 -0.76 0.23 0.00 0.00 176.35 175.86 1b4r s LEU 79 N -0.11 2.48 -0.41 1.79 2.01 0.24 -3.73 118.68 120.95 1b4r s LEU 79 Ca 0.09 -0.91 0.06 0.00 0.01 0.00 0.00 54.13 53.38 1b4r s LEU 79 Cb -0.12 -1.01 0.18 0.00 0.01 0.00 0.00 46.19 45.26 1b4r s LEU 79 CO 0.01 0.03 0.69 -0.83 1.01 0.00 0.00 176.35 177.25 1b4r s GLY 80 N -2.89 -1.30 0.31 -3.19 0.00 -1.25 -1.49 107.32 97.51 1b4r s GLY 80 Ca 0.21 0.25 0.04 0.00 0.00 0.00 0.00 44.72 45.22 1b4r s GLY 80 CO 0.10 3.74 0.31 -1.30 0.00 0.00 0.00 173.10 175.95 1b4r n THR 81 N 4.15 0.00 -3.74 0.90 -2.24 0.11 -4.88 114.28 108.58 1b4r n THR 81 Ca 0.11 -1.15 -0.13 0.00 -2.27 0.00 0.00 64.05 60.61 1b4r n THR 81 Cb 0.58 -0.44 -0.10 0.00 -2.10 0.00 0.00 70.33 68.27 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 -2.86 -0.35 0.07 3.42 2.15 -1.26 0.08 116.67 117.92 1b4r s ASP 82 Ca 0.24 0.57 0.06 0.00 0.43 0.00 0.00 52.55 53.85 1b4r s ASP 82 Cb -0.02 0.64 -0.03 0.00 -0.30 0.00 0.00 42.92 43.21 1b4r s ASP 82 CO 0.15 -0.25 -0.16 0.54 -0.17 0.00 0.00 175.17 175.28 1b4r s VAL 83 N -0.32 1.27 -0.42 1.11 0.11 -0.61 -4.95 120.40 116.59 1b4r s VAL 83 Ca -0.05 -1.31 -0.01 0.00 -2.93 0.00 0.00 61.98 57.68 1b4r s VAL 83 Cb -0.03 -1.19 0.11 0.00 -1.53 0.00 0.00 36.38 33.74 1b4r s VAL 83 CO 0.02 -0.13 0.20 -1.10 -3.33 0.00 0.00 175.10 170.75 1b4r s GLN 84 N -1.66 1.95 0.26 1.54 -0.21 -1.26 -0.95 119.66 119.33 1b4r s GLN 84 Ca 0.01 -1.93 -0.22 0.00 0.02 0.00 0.00 55.36 53.24 1b4r s GLN 84 Cb -0.10 -3.51 -0.09 0.00 1.00 0.00 0.00 33.01 30.31 1b4r s GLN 84 CO 0.03 -1.06 0.80 0.08 -2.12 0.00 0.00 175.29 173.02 1b4r s VAL 85 N 0.92 4.45 0.00 1.09 1.01 0.12 -4.39 120.40 123.60 1b4r s VAL 85 Ca 0.10 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.54 1b4r s VAL 85 Cb -0.22 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1b4r s VAL 85 CO -0.05 0.17 0.00 -0.62 0.00 0.00 0.00 175.10 174.60 1b4r n GLU 86 N 0.63 2.68 -0.39 2.72 1.02 0.09 -0.38 120.64 127.02 1b4r n GLU 86 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1b4r n GLU 86 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 1b4r n GLU 86 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31