#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 3.59 -0.57 0.00 -1.32 0.11 -4.67 115.64 112.79 1b4r s THR 9 Ca 0.00 1.05 -0.21 0.00 -1.21 0.00 0.00 61.69 61.32 1b4r s THR 9 Cb 0.00 -3.46 0.07 0.00 -1.51 0.00 0.00 72.50 67.60 1b4r s THR 9 CO 0.00 -0.16 0.79 -0.76 -2.21 0.00 0.00 174.62 172.28 1b4r s LEU 10 N -3.35 4.73 -0.34 9.08 1.02 -1.26 -1.74 118.68 126.82 1b4r s LEU 10 Ca 0.66 -0.92 -0.01 0.00 0.02 0.00 0.00 54.13 53.89 1b4r s LEU 10 Cb -0.20 -2.49 0.08 0.00 0.02 0.00 0.00 46.19 43.60 1b4r s LEU 10 CO 0.24 -1.14 0.08 -0.69 0.02 0.00 0.00 176.35 174.86 1b4r s VAL 11 N 3.27 2.92 -0.72 -1.59 1.01 -0.41 -5.01 120.40 119.87 1b4r s VAL 11 Ca 0.19 -1.82 0.04 0.00 0.00 0.00 0.00 61.98 60.40 1b4r s VAL 11 Cb -0.18 -2.89 0.21 0.00 0.00 0.00 0.00 36.38 33.52 1b4r s VAL 11 CO 0.12 -0.40 0.64 0.61 0.00 0.00 0.00 175.10 176.07 1b4r n GLY 12 N 4.53 4.34 3.78 4.51 0.00 -1.26 0.30 105.19 121.39 1b4r n GLY 12 Ca -0.06 -2.66 -0.36 0.00 0.00 0.00 0.00 46.02 42.94 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 -1.84 3.68 0.00 1.61 0.04 -0.72 -4.65 135.00 133.13 1b4r s PRO 13 Ca 0.30 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1b4r s PRO 13 Cb 0.02 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1b4r s PRO 13 CO -0.11 -0.58 0.00 1.58 0.04 0.00 0.00 177.00 177.94 1b4r n HIS 14 N -0.80 0.00 0.00 0.56 -0.00 -1.26 -1.64 115.22 112.08 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 0.50 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 0.76 3.78 1.57 0.00 -1.26 -4.96 105.19 105.08 1b4r n GLY 15 Ca 0.00 -1.68 -0.36 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 4.28 -0.68 1.61 0.04 -1.26 -5.01 135.00 133.98 1b4r s PRO 16 Ca 0.00 1.45 -0.10 0.00 0.04 0.00 0.00 61.00 62.38 1b4r s PRO 16 Cb 0.00 -2.59 0.18 0.00 0.04 0.00 0.00 34.50 32.13 1b4r s PRO 16 CO 0.00 -0.03 0.58 -0.51 0.04 0.00 0.00 177.00 177.08 1b4r s LEU 17 N -2.52 6.11 0.70 -3.56 2.01 -1.26 -5.06 118.68 115.11 1b4r s LEU 17 Ca 0.56 -2.51 -0.11 0.00 0.01 0.00 0.00 54.13 52.08 1b4r s LEU 17 Cb -0.20 -2.08 0.01 0.00 0.01 0.00 0.00 46.19 43.93 1b4r s LEU 17 CO 0.26 -0.57 1.06 0.00 1.01 0.00 0.00 176.35 178.11 1b4r s ALA 18 N 0.46 2.66 0.06 4.21 0.00 -1.26 -1.06 121.76 126.82 1b4r s ALA 18 Ca 0.14 0.08 -0.33 0.00 0.00 0.00 0.00 51.96 51.84 1b4r s ALA 18 Cb -0.18 -3.17 -0.12 0.00 0.00 0.00 0.00 23.12 19.65 1b4r s ALA 18 CO -0.05 -1.25 1.75 0.45 0.00 0.00 0.00 175.76 176.66 1b4r n SER 19 N -3.15 3.43 -0.92 0.00 2.88 0.13 -2.46 113.62 113.52 1b4r n SER 19 Ca 0.08 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 1b4r n SER 19 Cb 0.54 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 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 3.96 0.49 3.34 0.46 0.00 -0.38 -4.94 105.19 108.11 1b4r n GLY 20 Ca 0.19 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.91 1.27 -0.51 1.61 -1.52 0.61 -4.96 119.66 112.25 1b4r s GLN 21 Ca 0.00 -1.31 -0.10 0.00 -1.95 0.00 0.00 55.36 52.01 1b4r s GLN 21 Cb 0.00 -1.54 0.13 0.00 -0.22 0.00 0.00 33.01 31.39 1b4r s GLN 21 CO 0.00 0.34 0.40 -1.17 -0.25 0.00 0.00 175.29 174.61 1b4r s LEU 22 N -2.22 5.80 0.50 2.90 1.98 -1.26 -1.38 118.68 125.00 1b4r s LEU 22 Ca 0.12 -2.02 -0.18 0.00 -2.89 0.00 0.00 54.13 49.16 1b4r s LEU 22 Cb -0.09 -2.04 -0.08 0.00 0.66 0.00 0.00 46.19 44.65 1b4r s LEU 22 CO 0.06 -0.68 0.99 0.00 -1.89 0.00 0.00 176.35 174.83 1b4r s ALA 23 N 1.21 3.00 -0.21 5.97 0.00 0.74 -4.83 121.76 127.63 1b4r s ALA 23 Ca 0.07 0.29 -0.01 0.00 0.00 0.00 0.00 51.96 52.32 1b4r s ALA 23 Cb -0.25 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.73 1b4r s ALA 23 CO -0.01 -0.23 -0.12 0.00 0.00 0.00 0.00 175.76 175.40 1b4r s ALA 24 N -2.45 2.57 0.39 0.00 0.00 -0.65 0.38 121.76 122.00 1b4r s ALA 24 Ca 0.61 -1.30 0.08 0.00 0.00 0.00 0.00 51.96 51.34 1b4r s ALA 24 Cb -0.11 -1.47 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 1b4r s ALA 24 CO 0.27 -0.54 0.32 -0.06 0.00 0.00 0.00 175.76 175.74 1b4r s PHE 25 N 1.34 2.75 -0.21 0.00 0.40 0.18 -1.75 117.98 120.68 1b4r s PHE 25 Ca 0.03 -0.44 -0.28 0.00 -0.60 0.00 0.00 56.93 55.64 1b4r s PHE 25 Cb -0.15 -2.01 0.12 0.00 0.51 0.00 0.00 43.02 41.49 1b4r s PHE 25 CO -0.08 0.02 0.99 -3.38 0.70 0.00 0.00 175.22 173.48 1b4r s HIS 26 N -2.44 -0.43 0.28 0.36 -3.43 0.15 -1.53 115.29 108.24 1b4r s HIS 26 Ca 0.45 0.90 0.08 0.00 -0.80 0.00 0.00 55.06 55.69 1b4r s HIS 26 Cb -0.03 0.41 -0.04 0.00 -1.43 0.00 0.00 32.58 31.49 1b4r s HIS 26 CO 0.27 -0.31 0.16 0.42 -2.00 0.00 0.00 174.74 173.28 1b4r s ILE 27 N -0.51 3.93 -0.05 -5.38 -1.09 0.85 -1.29 121.20 117.66 1b4r s ILE 27 Ca -0.00 -1.55 -0.02 0.00 -2.23 0.00 0.00 60.65 56.85 1b4r s ILE 27 Cb -0.02 -3.19 0.03 0.00 -1.58 0.00 0.00 42.46 37.69 1b4r s ILE 27 CO -0.01 -0.31 0.05 0.00 -1.23 0.00 0.00 174.94 173.44 1b4r s ALA 28 N -2.23 0.30 0.00 9.38 0.00 -0.71 -4.80 121.76 123.69 1b4r s ALA 28 Ca 0.34 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1b4r s ALA 28 Cb -0.07 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.40 1b4r s ALA 28 CO 0.24 -0.52 0.00 0.00 0.00 0.00 0.00 175.76 175.48 1b4r n ALA 29 N 5.28 0.00 -2.30 0.00 0.00 -1.26 0.09 120.51 122.31 1b4r n ALA 29 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.00 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 2.77 -0.26 0.00 -0.04 -1.26 -4.84 135.00 131.37 1b4r n PRO 30 Ca 0.00 -2.97 -0.00 0.00 -0.04 0.00 0.00 63.50 60.49 1b4r n PRO 30 Cb 0.00 -3.49 0.03 0.00 -0.04 0.00 0.00 33.50 30.00 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 9.20 -0.43 -3.12 1.53 7.99 -1.26 -1.46 117.00 129.46 1b4r n LEU 31 Ca 0.49 1.18 -0.35 0.00 -0.01 0.00 0.00 56.01 57.32 1b4r n LEU 31 Cb 0.45 -0.27 -0.05 0.00 -0.11 0.00 0.00 43.42 43.44 1b4r n LEU 31 CO 0.78 -1.06 3.14 -0.81 -1.51 0.00 0.00 177.39 177.93 1b4r n PRO 32 N -5.00 3.43 -2.93 3.23 -0.04 -1.26 -4.95 135.00 127.48 1b4r n PRO 32 Ca 0.07 -2.01 -0.34 0.00 -0.04 0.00 0.00 63.50 61.18 1b4r n PRO 32 Cb 0.27 -2.68 -0.07 0.00 -0.04 0.00 0.00 33.50 30.99 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 2.03 4.46 0.00 0.52 1.01 -0.53 -4.87 120.40 123.01 1b4r s VAL 33 Ca 0.69 1.38 0.00 0.00 0.00 0.00 0.00 61.98 64.04 1b4r s VAL 33 Cb 0.20 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1b4r s VAL 33 CO -0.05 -0.15 0.00 1.07 0.00 0.00 0.00 175.10 175.97 1b4r n THR 34 N -0.21 0.00 -3.72 3.92 5.66 -1.26 -4.44 114.28 114.23 1b4r n THR 34 Ca 0.04 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.91 1b4r n THR 34 Cb 0.53 -0.63 -0.10 0.00 -1.55 0.00 0.00 70.33 68.58 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 -1.95 -1.08 -0.04 1.79 0.00 -1.25 -1.28 121.76 117.95 1b4r s ALA 35 Ca 0.00 1.25 0.04 0.00 0.00 0.00 0.00 51.96 53.25 1b4r s ALA 35 Cb 0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 23.12 22.39 1b4r s ALA 35 CO 0.00 -0.21 -0.15 -0.08 0.00 0.00 0.00 175.76 175.32 1b4r s THR 36 N 0.33 1.27 -0.45 0.00 -1.32 -0.51 -1.48 115.64 113.47 1b4r s THR 36 Ca -0.01 -0.62 -0.12 0.00 -1.21 0.00 0.00 61.69 59.73 1b4r s THR 36 Cb -0.03 -1.10 0.09 0.00 -1.51 0.00 0.00 72.50 69.94 1b4r s THR 36 CO -0.01 0.37 0.33 -0.60 -2.21 0.00 0.00 174.62 172.51 1b4r s ARG 37 N 0.13 2.74 0.82 7.08 6.06 0.20 -0.73 118.95 135.24 1b4r s ARG 37 Ca -0.05 -1.48 -0.06 0.00 -2.50 0.00 0.00 55.73 51.64 1b4r s ARG 37 Cb -0.11 -3.95 0.17 0.00 0.06 0.00 0.00 34.95 31.12 1b4r s ARG 37 CO 0.02 -1.03 1.13 0.91 -2.50 0.00 0.00 175.30 173.82 1b4r n TRP 38 N 5.03 -3.33 -3.38 5.12 7.02 0.63 -0.01 117.44 128.52 1b4r n TRP 38 Ca -0.11 -1.55 -0.15 0.00 -1.02 0.00 0.00 57.50 54.67 1b4r n TRP 38 Cb 0.43 -0.84 -0.09 0.00 -2.42 0.00 0.00 31.31 28.39 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 -5.38 1.35 -0.09 -0.99 1.01 0.11 0.26 116.67 112.95 1b4r s ASP 39 Ca 0.70 -0.64 -0.00 0.00 0.71 0.00 0.00 52.55 53.32 1b4r s ASP 39 Cb -0.03 0.65 -0.00 0.00 1.01 0.00 0.00 42.92 44.55 1b4r s ASP 39 CO 0.47 -0.38 -0.00 -0.26 0.21 0.00 0.00 175.17 175.22 1b4r h PHE 40 N 8.24 0.00 0.00 4.23 0.04 -1.15 -2.49 116.94 125.81 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 1.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.24 1b4r h PHE 40 CO 0.27 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.39 1b4r n GLY 41 N 1.80 0.74 0.00 -1.45 0.00 -0.56 -4.17 105.19 101.54 1b4r n GLY 41 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.54 0.00 0.12 1.61 5.68 -1.26 -4.85 116.55 118.38 1b4r n ASP 42 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.33 1b4r n ASP 42 Cb 0.00 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 39.99 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 -6.02 6.12 0.00 -1.96 -3.44 103.07 97.77 1b4r h GLY 43 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1b4r h GLY 43 CO 0.00 0.00 -0.81 -0.56 0.00 0.00 0.00 176.54 175.17 1b4r s SER 44 N -6.10 1.90 0.00 0.19 0.01 -1.26 -5.08 113.70 103.36 1b4r s SER 44 Ca 0.02 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1b4r s SER 44 Cb 0.08 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.46 1b4r s SER 44 CO 0.76 0.00 0.00 0.00 0.41 0.00 0.00 173.24 174.41 1b4r n ALA 45 N 4.06 0.00 -1.47 1.44 0.00 -1.26 -1.50 120.51 121.78 1b4r n ALA 45 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.87 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 -0.34 0.71 -3.68 0.00 0.00 -1.26 -1.02 120.64 115.05 1b4r n GLU 46 Ca 0.00 0.30 -0.25 0.00 0.00 0.00 0.00 57.16 57.22 1b4r n GLU 46 Cb 0.00 -2.39 -0.17 0.00 0.00 0.00 0.00 31.44 28.88 1b4r n GLU 46 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1b4r s VAL 47 N -1.68 0.12 -0.50 3.84 1.01 0.14 -4.74 120.40 118.58 1b4r s VAL 47 Ca 0.77 -0.07 -0.19 0.00 0.00 0.00 0.00 61.98 62.50 1b4r s VAL 47 Cb -0.35 -0.57 0.06 0.00 0.00 0.00 0.00 36.38 35.52 1b4r s VAL 47 CO 0.46 -0.07 0.59 -1.81 0.00 0.00 0.00 175.10 174.27 1b4r s ASP 48 N 2.06 6.21 0.39 3.32 1.01 -1.26 -0.26 116.67 128.13 1b4r s ASP 48 Ca 0.03 -1.00 0.08 0.00 0.71 0.00 0.00 52.55 52.36 1b4r s ASP 48 Cb -0.15 -2.27 -0.07 0.00 1.01 0.00 0.00 42.92 41.44 1b4r s ASP 48 CO -0.07 -0.86 0.01 0.00 0.21 0.00 0.00 175.17 174.46 1b4r s ALA 49 N 2.47 3.18 0.16 5.23 0.00 0.09 -5.00 121.76 127.90 1b4r s ALA 49 Ca 0.13 -2.20 0.04 0.00 0.00 0.00 0.00 51.96 49.93 1b4r s ALA 49 Cb -0.20 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 1b4r s ALA 49 CO 0.11 -0.06 0.21 0.00 0.00 0.00 0.00 175.76 176.02 1b4r s ALA 50 N -2.65 3.76 0.00 0.00 0.00 -1.25 -1.43 121.76 120.19 1b4r s ALA 50 Ca 0.35 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1b4r s ALA 50 Cb 0.06 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.63 1b4r s ALA 50 CO 0.18 0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.85 1b4r n GLY 51 N -0.51 0.76 1.93 0.00 0.00 -0.40 -2.03 105.19 104.95 1b4r n GLY 51 Ca -0.08 -0.74 -0.18 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 1.85 -3.92 1.61 -0.04 -1.26 -3.09 135.00 130.14 1b4r n PRO 52 Ca 0.00 -1.64 -0.10 0.00 -0.04 0.00 0.00 63.50 61.73 1b4r n PRO 52 Cb 0.00 -1.65 -0.09 0.00 -0.04 0.00 0.00 33.50 31.71 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 -1.85 -0.09 -0.20 0.55 0.00 -0.86 -0.10 121.76 119.20 1b4r s ALA 53 Ca 0.33 -0.50 -0.32 0.00 0.00 0.00 0.00 51.96 51.47 1b4r s ALA 53 Cb 0.26 0.23 0.15 0.00 0.00 0.00 0.00 23.12 23.75 1b4r s ALA 53 CO -0.01 -0.30 1.18 0.00 0.00 0.00 0.00 175.76 176.63 1b4r s ALA 54 N -2.42 -2.04 0.19 0.00 0.00 -0.58 -3.75 121.76 113.16 1b4r s ALA 54 Ca -0.06 1.64 0.10 0.00 0.00 0.00 0.00 51.96 53.63 1b4r s ALA 54 Cb -0.02 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 1b4r s ALA 54 CO -0.04 -0.45 -0.12 -1.54 0.00 0.00 0.00 175.76 173.61 1b4r s SER 55 N -1.67 4.09 -0.04 0.00 1.04 -1.26 0.48 113.70 116.34 1b4r s SER 55 Ca 0.07 -0.66 -0.01 0.00 0.48 0.00 0.00 55.95 55.83 1b4r s SER 55 Cb -0.01 -0.62 -0.04 0.00 0.10 0.00 0.00 66.02 65.45 1b4r s SER 55 CO -0.04 0.10 0.05 -1.00 0.98 0.00 0.00 173.24 173.32 1b4r s HIS 56 N -1.78 3.24 -0.50 5.02 3.76 0.16 -4.85 115.29 120.33 1b4r s HIS 56 Ca 0.25 0.21 -0.01 0.00 -0.15 0.00 0.00 55.06 55.36 1b4r s HIS 56 Cb -0.08 -1.76 0.13 0.00 1.11 0.00 0.00 32.58 31.98 1b4r s HIS 56 CO 0.14 0.53 0.28 -0.98 -0.85 0.00 0.00 174.74 173.87 1b4r s ARG 57 N -1.41 2.14 -0.22 1.40 1.70 -1.26 -0.19 118.95 121.12 1b4r s ARG 57 Ca 0.19 -2.25 -0.11 0.00 -0.47 0.00 0.00 55.73 53.09 1b4r s ARG 57 Cb -0.12 -3.54 -0.05 0.00 -0.57 0.00 0.00 34.95 30.67 1b4r s ARG 57 CO 0.09 -1.10 0.19 0.71 -1.08 0.00 0.00 175.30 174.11 1b4r s TYR 58 N 0.39 3.36 -0.01 5.89 2.02 -0.48 -4.16 117.35 124.37 1b4r s TYR 58 Ca 0.13 0.33 0.00 0.00 -0.37 0.00 0.00 57.07 57.17 1b4r s TYR 58 Cb -0.22 -2.27 -0.01 0.00 -0.40 0.00 0.00 41.96 39.07 1b4r s TYR 58 CO -0.04 0.14 0.00 1.33 -1.57 0.00 0.00 175.55 175.41 1b4r n VAL 59 N 4.00 0.04 -3.68 0.71 0.24 -1.26 -0.28 118.33 118.09 1b4r n VAL 59 Ca -0.14 -0.02 -0.37 0.00 -2.04 0.00 0.00 64.34 61.76 1b4r n VAL 59 Cb 0.52 -0.94 -0.06 0.00 -1.47 0.00 0.00 33.84 31.89 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 -4.15 4.43 0.20 1.34 2.96 -1.26 -3.11 118.68 119.08 1b4r s LEU 60 Ca -0.00 0.72 -0.30 0.00 -0.22 0.00 0.00 54.13 54.33 1b4r s LEU 60 Cb 0.00 -2.39 -0.08 0.00 0.50 0.00 0.00 46.19 44.22 1b4r s LEU 60 CO 0.02 0.35 1.18 -2.16 -1.32 0.00 0.00 176.35 174.42 1b4r s PRO 61 N -1.14 4.52 0.00 0.98 0.04 -1.26 -4.74 135.00 133.39 1b4r s PRO 61 Ca 0.21 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1b4r s PRO 61 Cb -0.14 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1b4r s PRO 61 CO 0.10 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.51 1b4r n GLY 62 N 2.03 0.07 3.08 0.56 0.00 -0.23 -4.94 105.19 105.76 1b4r n GLY 62 Ca 0.03 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.00 1.22 0.27 1.61 3.00 -1.26 0.25 118.95 122.03 1b4r s ARG 63 Ca 0.00 -0.46 0.11 0.00 0.00 0.00 0.00 55.73 55.38 1b4r s ARG 63 Cb 0.00 -1.13 -0.05 0.00 0.00 0.00 0.00 34.95 33.78 1b4r s ARG 63 CO 0.00 0.23 -0.13 0.71 0.00 0.00 0.00 175.30 176.11 1b4r s TYR 64 N -0.08 2.44 -0.16 -0.53 1.51 0.25 -4.94 117.35 115.85 1b4r s TYR 64 Ca 0.01 -0.29 -0.01 0.00 -1.01 0.00 0.00 57.07 55.77 1b4r s TYR 64 Cb -0.08 -1.07 -0.01 0.00 -0.11 0.00 0.00 41.96 40.69 1b4r s TYR 64 CO 0.00 0.67 -0.11 -1.58 -1.11 0.00 0.00 175.55 173.42 1b4r s HIS 65 N -2.40 2.85 0.11 2.71 2.46 -1.26 -1.47 115.29 118.29 1b4r s HIS 65 Ca 0.30 -0.83 0.05 0.00 0.47 0.00 0.00 55.06 55.06 1b4r s HIS 65 Cb -0.06 -1.92 -0.04 0.00 -0.13 0.00 0.00 32.58 30.43 1b4r s HIS 65 CO 0.17 -0.36 0.01 0.08 -2.47 0.00 0.00 174.74 172.16 1b4r s VAL 66 N 0.75 4.00 0.12 0.89 1.01 0.15 -4.49 120.40 122.82 1b4r s VAL 66 Ca -0.05 -1.09 -0.11 0.00 0.00 0.00 0.00 61.98 60.73 1b4r s VAL 66 Cb -0.15 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.30 1b4r s VAL 66 CO 0.01 0.05 0.27 0.42 0.00 0.00 0.00 175.10 175.85 1b4r s THR 67 N -1.44 0.11 -0.27 3.92 -4.23 -0.94 0.18 115.64 112.98 1b4r s THR 67 Ca 0.27 -1.07 -0.10 0.00 -1.18 0.00 0.00 61.69 59.60 1b4r s THR 67 Cb -0.11 -1.41 0.11 0.00 1.34 0.00 0.00 72.50 72.43 1b4r s THR 67 CO 0.19 -0.49 0.60 0.00 -0.54 0.00 0.00 174.62 174.38 1b4r s ALA 68 N -3.87 -1.78 -0.32 3.99 0.00 -0.54 0.07 121.76 119.30 1b4r s ALA 68 Ca 0.07 2.15 -0.03 0.00 0.00 0.00 0.00 51.96 54.15 1b4r s ALA 68 Cb 0.04 -1.57 0.05 0.00 0.00 0.00 0.00 23.12 21.63 1b4r s ALA 68 CO -0.09 -0.75 0.05 0.54 0.00 0.00 0.00 175.76 175.51 1b4r s VAL 69 N 2.52 3.26 0.21 0.00 0.11 0.98 0.76 120.40 128.24 1b4r s VAL 69 Ca -0.06 -1.36 -0.14 0.00 -2.93 0.00 0.00 61.98 57.49 1b4r s VAL 69 Cb -0.10 -2.90 -0.08 0.00 -1.53 0.00 0.00 36.38 31.77 1b4r s VAL 69 CO -0.18 -0.18 0.61 -0.76 -3.33 0.00 0.00 175.10 171.27 1b4r s LEU 70 N 1.29 4.24 -0.17 2.54 1.43 -0.46 -0.63 118.68 126.93 1b4r s LEU 70 Ca -0.03 1.12 0.00 0.00 -1.03 0.00 0.00 54.13 54.19 1b4r s LEU 70 Cb -0.20 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.47 1b4r s LEU 70 CO -0.00 -0.02 -0.09 0.00 0.23 0.00 0.00 176.35 176.48 1b4r s ALA 71 N -1.67 1.70 -0.55 4.21 0.00 -0.55 -2.93 121.76 121.96 1b4r s ALA 71 Ca 0.44 -0.93 0.18 0.00 0.00 0.00 0.00 51.96 51.65 1b4r s ALA 71 Cb -0.13 -1.13 -0.22 0.00 0.00 0.00 0.00 23.12 21.63 1b4r s ALA 71 CO 0.20 -0.67 0.62 1.28 0.00 0.00 0.00 175.76 177.18 1b4r n LEU 72 N 4.80 0.54 0.00 0.00 4.32 -0.33 -3.84 117.00 122.50 1b4r n LEU 72 Ca -0.14 -0.33 0.00 0.00 -0.02 0.00 0.00 56.01 55.52 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 0.14 0.00 0.61 -1.22 0.00 0.00 177.39 177.10 1b4r n GLY 73 N 1.43 3.26 0.10 -0.72 0.00 -1.26 -4.68 105.19 103.33 1b4r n GLY 73 Ca 0.01 -0.91 0.03 0.00 0.00 0.00 0.00 46.02 45.14 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 2.58 -2.43 4.61 0.00 -1.26 -5.04 120.51 118.97 1b4r n ALA 74 Ca 0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.04 1b4r n ALA 74 Cb 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.04 0.50 0.24 0.00 0.00 -1.26 -5.18 107.32 100.58 1b4r s GLY 75 Ca 0.04 -1.01 -0.12 0.00 0.00 0.00 0.00 44.72 43.63 1b4r s GLY 75 CO 0.15 -1.04 0.45 -1.35 0.00 0.00 0.00 173.10 171.31 1b4r s SER 76 N -2.95 -0.08 -0.05 1.64 1.04 -1.26 -1.18 113.70 110.86 1b4r s SER 76 Ca 0.14 -0.93 -0.03 0.00 0.48 0.00 0.00 55.95 55.61 1b4r s SER 76 Cb 0.06 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.76 1b4r s SER 76 CO -0.04 -1.11 0.11 0.00 0.98 0.00 0.00 173.24 173.18 1b4r s ALA 77 N -4.01 -0.23 -0.17 5.32 0.00 -1.15 -4.85 121.76 116.66 1b4r s ALA 77 Ca 0.22 0.41 -0.08 0.00 0.00 0.00 0.00 51.96 52.52 1b4r s ALA 77 Cb -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 1b4r s ALA 77 CO 0.08 -0.09 0.10 -1.17 0.00 0.00 0.00 175.76 174.69 1b4r s LEU 78 N 0.48 4.07 0.20 0.00 0.20 -1.25 -1.35 118.68 121.03 1b4r s LEU 78 Ca -0.04 0.22 0.11 0.00 0.69 0.00 0.00 54.13 55.11 1b4r s LEU 78 Cb -0.05 -2.03 -0.04 0.00 -0.43 0.00 0.00 46.19 43.64 1b4r s LEU 78 CO -0.02 0.23 -0.22 -0.76 -0.29 0.00 0.00 176.35 175.29 1b4r s LEU 79 N 0.03 2.45 -0.42 -0.68 2.01 0.23 -3.93 118.68 118.37 1b4r s LEU 79 Ca 0.08 -0.88 0.05 0.00 0.01 0.00 0.00 54.13 53.39 1b4r s LEU 79 Cb -0.12 -1.09 0.18 0.00 0.01 0.00 0.00 46.19 45.18 1b4r s LEU 79 CO 0.00 0.08 0.71 -0.83 1.01 0.00 0.00 176.35 177.32 1b4r s GLY 80 N -2.75 -1.32 0.39 -3.19 0.00 -1.25 -1.47 107.32 97.72 1b4r s GLY 80 Ca 0.21 0.24 0.05 0.00 0.00 0.00 0.00 44.72 45.22 1b4r s GLY 80 CO 0.10 3.76 0.41 -1.30 0.00 0.00 0.00 173.10 176.07 1b4r n THR 81 N 4.04 0.00 -3.74 0.90 -2.24 0.13 -4.88 114.28 108.48 1b4r n THR 81 Ca 0.12 -1.41 -0.13 0.00 -2.27 0.00 0.00 64.05 60.35 1b4r n THR 81 Cb 0.58 -0.42 -0.10 0.00 -2.10 0.00 0.00 70.33 68.29 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 -3.34 -0.33 0.10 3.42 1.11 -1.26 0.31 116.67 116.68 1b4r s ASP 82 Ca 0.31 0.53 0.05 0.00 0.18 0.00 0.00 52.55 53.62 1b4r s ASP 82 Cb -0.02 0.60 -0.03 0.00 1.07 0.00 0.00 42.92 44.54 1b4r s ASP 82 CO 0.20 -0.26 -0.13 0.54 1.18 0.00 0.00 175.17 176.70 1b4r s VAL 83 N -0.37 1.19 -0.35 -1.27 0.11 -0.54 -4.94 120.40 114.23 1b4r s VAL 83 Ca -0.05 -1.56 0.03 0.00 -2.93 0.00 0.00 61.98 57.47 1b4r s VAL 83 Cb -0.03 -1.34 0.10 0.00 -1.53 0.00 0.00 36.38 33.58 1b4r s VAL 83 CO 0.02 -0.37 0.07 -1.58 -3.33 0.00 0.00 175.10 169.91 1b4r s GLN 84 N -2.36 1.64 0.14 1.54 0.74 -1.26 -0.59 119.66 119.52 1b4r s GLN 84 Ca 0.04 -1.83 -0.29 0.00 0.05 0.00 0.00 55.36 53.34 1b4r s GLN 84 Cb -0.06 -3.26 -0.07 0.00 1.10 0.00 0.00 33.01 30.72 1b4r s GLN 84 CO 0.02 -0.94 0.92 0.08 -0.55 0.00 0.00 175.29 174.82 1b4r s VAL 85 N 0.96 4.41 0.00 1.34 1.01 0.14 -4.41 120.40 123.85 1b4r s VAL 85 Ca 0.09 1.99 0.00 0.00 0.00 0.00 0.00 61.98 64.06 1b4r s VAL 85 Cb -0.20 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.90 1b4r s VAL 85 CO -0.07 0.39 0.00 -0.62 0.00 0.00 0.00 175.10 174.80 1b4r n GLU 86 N 2.36 3.76 -0.51 2.72 1.02 -0.23 -1.07 120.64 128.69 1b4r n GLU 86 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1b4r n GLU 86 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 1b4r n GLU 86 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31