#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 3.03 -0.45 0.00 -1.32 0.14 -4.64 115.64 112.40 1b4r s THR 9 Ca 0.00 0.73 -0.20 0.00 -1.21 0.00 0.00 61.69 61.01 1b4r s THR 9 Cb 0.00 -3.35 0.03 0.00 -1.51 0.00 0.00 72.50 67.67 1b4r s THR 9 CO 0.00 -0.05 0.62 -0.76 -2.21 0.00 0.00 174.62 172.23 1b4r s LEU 10 N -3.28 4.61 -0.28 9.08 1.02 -1.26 -1.69 118.68 126.87 1b4r s LEU 10 Ca 0.67 -0.47 0.02 0.00 0.02 0.00 0.00 54.13 54.36 1b4r s LEU 10 Cb -0.28 -2.64 0.08 0.00 0.02 0.00 0.00 46.19 43.36 1b4r s LEU 10 CO 0.34 -0.79 -0.02 -0.69 0.02 0.00 0.00 176.35 175.21 1b4r s VAL 11 N 2.74 1.77 -0.71 -1.59 1.01 -0.42 -5.03 120.40 118.18 1b4r s VAL 11 Ca 0.20 -1.62 0.05 0.00 0.00 0.00 0.00 61.98 60.61 1b4r s VAL 11 Cb -0.15 -2.11 0.21 0.00 0.00 0.00 0.00 36.38 34.33 1b4r s VAL 11 CO 0.17 -0.29 0.63 0.61 0.00 0.00 0.00 175.10 176.22 1b4r n GLY 12 N 4.54 4.35 3.79 4.51 0.00 -1.26 0.39 105.19 121.50 1b4r n GLY 12 Ca -0.07 -2.67 -0.34 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 -1.87 3.64 0.00 1.61 0.04 -0.89 -4.72 135.00 132.81 1b4r s PRO 13 Ca 0.31 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1b4r s PRO 13 Cb 0.03 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1b4r s PRO 13 CO -0.10 -0.57 0.00 1.58 0.04 0.00 0.00 177.00 177.94 1b4r n HIS 14 N -1.12 0.00 0.00 0.56 -0.00 -1.26 -1.67 115.22 111.73 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 0.60 3.80 1.57 0.00 -1.26 -4.98 105.19 104.93 1b4r n GLY 15 Ca 0.00 -1.66 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 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 4.13 -0.36 1.61 0.04 -1.26 -5.04 135.00 134.13 1b4r s PRO 16 Ca 0.00 1.27 0.02 0.00 0.04 0.00 0.00 61.00 62.33 1b4r s PRO 16 Cb 0.00 -2.27 0.10 0.00 0.04 0.00 0.00 34.50 32.37 1b4r s PRO 16 CO 0.00 -0.13 0.09 -0.51 0.04 0.00 0.00 177.00 176.48 1b4r s LEU 17 N -3.08 4.88 0.71 -3.56 1.43 -1.26 -5.03 118.68 112.76 1b4r s LEU 17 Ca 0.62 -2.12 -0.06 0.00 -1.03 0.00 0.00 54.13 51.54 1b4r s LEU 17 Cb -0.14 -1.68 0.07 0.00 0.03 0.00 0.00 46.19 44.48 1b4r s LEU 17 CO 0.18 -0.42 1.01 0.00 0.23 0.00 0.00 176.35 177.35 1b4r s ALA 18 N 0.96 3.22 0.06 4.21 0.00 -1.26 -1.05 121.76 127.90 1b4r s ALA 18 Ca 0.10 -1.07 -0.34 0.00 0.00 0.00 0.00 51.96 50.65 1b4r s ALA 18 Cb -0.20 -2.50 -0.13 0.00 0.00 0.00 0.00 23.12 20.29 1b4r s ALA 18 CO -0.07 -1.34 1.67 0.45 0.00 0.00 0.00 175.76 176.48 1b4r n SER 19 N -2.91 3.10 -1.38 0.00 2.88 0.21 -2.45 113.62 113.08 1b4r n SER 19 Ca 0.09 1.05 -0.02 0.00 -1.33 0.00 0.00 58.87 58.66 1b4r n SER 19 Cb 0.60 -1.38 0.01 0.00 -0.75 0.00 0.00 64.21 62.69 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 3.73 0.39 3.51 0.46 0.00 -0.67 -4.95 105.19 107.65 1b4r n GLY 20 Ca 0.19 -0.37 -0.30 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 -4.01 1.87 -0.52 1.61 2.00 0.63 -4.95 119.66 116.28 1b4r s GLN 21 Ca 0.01 -1.14 -0.06 0.00 -2.00 0.00 0.00 55.36 52.17 1b4r s GLN 21 Cb -0.00 -2.16 0.14 0.00 0.80 0.00 0.00 33.01 31.79 1b4r s GLN 21 CO 0.09 0.49 0.37 -1.17 -0.50 0.00 0.00 175.29 174.57 1b4r s LEU 22 N -2.13 5.55 0.52 3.68 1.98 -1.26 -1.08 118.68 125.94 1b4r s LEU 22 Ca 0.19 -2.26 -0.14 0.00 -2.89 0.00 0.00 54.13 49.03 1b4r s LEU 22 Cb -0.11 -1.94 -0.07 0.00 0.66 0.00 0.00 46.19 44.74 1b4r s LEU 22 CO 0.11 -0.56 0.96 0.00 -1.89 0.00 0.00 176.35 174.96 1b4r s ALA 23 N 0.83 3.13 -0.21 5.97 0.00 0.87 -4.83 121.76 127.52 1b4r s ALA 23 Ca 0.10 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.11 1b4r s ALA 23 Cb -0.22 -3.03 0.03 0.00 0.00 0.00 0.00 23.12 19.90 1b4r s ALA 23 CO -0.03 -0.31 -0.16 0.00 0.00 0.00 0.00 175.76 175.26 1b4r s ALA 24 N -2.72 2.43 0.42 0.00 0.00 -0.67 0.38 121.76 121.61 1b4r s ALA 24 Ca 0.56 -1.41 0.08 0.00 0.00 0.00 0.00 51.96 51.20 1b4r s ALA 24 Cb -0.10 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 21.67 1b4r s ALA 24 CO 0.37 -0.64 0.45 -0.06 0.00 0.00 0.00 175.76 175.88 1b4r s PHE 25 N 1.24 2.69 -0.15 0.00 0.40 0.11 -2.09 117.98 120.17 1b4r s PHE 25 Ca 0.00 -0.48 -0.30 0.00 -0.60 0.00 0.00 56.93 55.56 1b4r s PHE 25 Cb -0.15 -2.24 0.12 0.00 0.51 0.00 0.00 43.02 41.26 1b4r s PHE 25 CO -0.10 -0.25 0.94 -3.38 0.70 0.00 0.00 175.22 173.13 1b4r s HIS 26 N -2.44 -0.43 0.29 0.36 -3.43 0.16 -1.47 115.29 108.33 1b4r s HIS 26 Ca 0.50 0.78 0.09 0.00 -0.80 0.00 0.00 55.06 55.63 1b4r s HIS 26 Cb -0.05 0.43 -0.04 0.00 -1.43 0.00 0.00 32.58 31.49 1b4r s HIS 26 CO 0.30 -0.38 0.04 0.42 -2.00 0.00 0.00 174.74 173.11 1b4r s ILE 27 N -0.99 3.25 -0.06 -5.38 -1.09 0.60 -1.30 121.20 116.24 1b4r s ILE 27 Ca -0.03 -1.86 -0.02 0.00 -2.23 0.00 0.00 60.65 56.51 1b4r s ILE 27 Cb -0.01 -2.88 0.03 0.00 -1.58 0.00 0.00 42.46 38.03 1b4r s ILE 27 CO 0.02 -0.31 0.05 0.00 -1.23 0.00 0.00 174.94 173.48 1b4r s ALA 28 N -2.37 0.36 0.00 9.38 0.00 -0.68 -4.82 121.76 123.62 1b4r s ALA 28 Ca 0.33 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.36 1b4r s ALA 28 Cb -0.05 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.38 1b4r s ALA 28 CO 0.21 -0.55 0.00 0.00 0.00 0.00 0.00 175.76 175.41 1b4r n ALA 29 N 5.26 0.00 -2.25 0.00 0.00 -1.26 0.27 120.51 122.53 1b4r n ALA 29 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.01 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 2.62 -0.26 0.00 -0.04 -1.26 -4.84 135.00 131.23 1b4r n PRO 30 Ca 0.00 -2.89 -0.01 0.00 -0.04 0.00 0.00 63.50 60.56 1b4r n PRO 30 Cb 0.00 -3.50 0.02 0.00 -0.04 0.00 0.00 33.50 29.98 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 9.69 -0.44 -3.11 1.53 4.32 -1.26 -1.46 117.00 126.26 1b4r n LEU 31 Ca 0.48 1.16 -0.34 0.00 -0.02 0.00 0.00 56.01 57.29 1b4r n LEU 31 Cb 0.45 -0.26 -0.05 0.00 -1.62 0.00 0.00 43.42 41.94 1b4r n LEU 31 CO 0.78 -1.04 3.12 -0.81 -1.22 0.00 0.00 177.39 178.22 1b4r n PRO 32 N -4.97 3.41 -2.90 3.23 -0.04 -1.26 -4.95 135.00 127.51 1b4r n PRO 32 Ca 0.07 -2.00 -0.35 0.00 -0.04 0.00 0.00 63.50 61.18 1b4r n PRO 32 Cb 0.26 -2.67 -0.07 0.00 -0.04 0.00 0.00 33.50 30.98 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 2.04 4.41 0.00 0.52 1.01 -0.54 -4.84 120.40 123.00 1b4r s VAL 33 Ca 0.68 1.48 0.00 0.00 0.00 0.00 0.00 61.98 64.14 1b4r s VAL 33 Cb 0.20 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1b4r s VAL 33 CO -0.05 -0.08 0.00 0.35 0.00 0.00 0.00 175.10 175.32 1b4r n THR 34 N -0.02 0.00 -3.69 3.92 -2.24 -1.26 -4.49 114.28 106.50 1b4r n THR 34 Ca 0.03 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.70 1b4r n THR 34 Cb 0.52 -0.57 -0.09 0.00 -2.10 0.00 0.00 70.33 68.09 1b4r n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b4r s ALA 35 N -1.89 -1.29 0.11 6.98 0.00 -1.25 -1.22 121.76 123.20 1b4r s ALA 35 Ca 0.00 1.59 0.09 0.00 0.00 0.00 0.00 51.96 53.65 1b4r s ALA 35 Cb 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 1b4r s ALA 35 CO 0.00 -0.27 -0.23 -0.08 0.00 0.00 0.00 175.76 175.18 1b4r s THR 36 N 0.72 1.93 -0.35 0.00 -1.32 -0.40 -1.41 115.64 114.80 1b4r s THR 36 Ca -0.04 -1.63 -0.01 0.00 -1.21 0.00 0.00 61.69 58.81 1b4r s THR 36 Cb -0.05 -1.73 0.09 0.00 -1.51 0.00 0.00 72.50 69.30 1b4r s THR 36 CO -0.05 -0.01 0.09 -0.13 -2.21 0.00 0.00 174.62 172.32 1b4r s ARG 37 N -1.98 2.02 0.83 7.08 0.52 0.53 -0.43 118.95 127.52 1b4r s ARG 37 Ca 0.09 -1.65 -0.06 0.00 -0.52 0.00 0.00 55.73 53.59 1b4r s ARG 37 Cb -0.10 -3.34 0.17 0.00 0.52 0.00 0.00 34.95 32.20 1b4r s ARG 37 CO 0.05 -0.88 1.14 -1.58 0.02 0.00 0.00 175.30 174.04 1b4r s TRP 38 N 1.12 1.37 -0.27 -0.53 0.52 0.76 0.04 118.94 121.95 1b4r s TRP 38 Ca 0.04 -0.13 -0.01 0.00 0.02 0.00 0.00 56.10 56.03 1b4r s TRP 38 Cb -0.21 -3.44 0.14 0.00 -1.15 0.00 0.00 33.47 28.81 1b4r s TRP 38 CO -0.04 -2.17 0.33 -0.51 0.02 0.00 0.00 176.95 174.58 1b4r s ASP 39 N -4.84 1.03 -0.07 2.95 1.01 0.11 0.39 116.67 117.26 1b4r s ASP 39 Ca 0.71 -0.41 -0.01 0.00 0.71 0.00 0.00 52.55 53.55 1b4r s ASP 39 Cb -0.04 0.77 -0.00 0.00 1.01 0.00 0.00 42.92 44.66 1b4r s ASP 39 CO 0.48 -0.36 -0.01 -0.26 0.21 0.00 0.00 175.17 175.23 1b4r h PHE 40 N 8.23 0.00 0.00 4.23 0.04 -1.13 -2.68 116.94 125.63 1b4r h PHE 40 Ca -0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.63 1b4r h PHE 40 Cb 1.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.26 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 1.84 0.79 2.17 -1.45 0.00 -0.65 -4.35 105.19 103.53 1b4r n GLY 41 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 4.15 0.00 1.61 5.68 -1.26 -4.74 116.55 121.98 1b4r n ASP 42 Ca 0.00 -3.53 0.00 0.00 -0.50 0.00 0.00 54.79 50.76 1b4r n ASP 42 Cb 0.00 -0.84 0.00 0.00 -1.14 0.00 0.00 41.12 39.14 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 -1.02 3.08 3.22 6.12 0.00 -1.26 -4.74 105.19 110.60 1b4r n GLY 43 Ca 0.57 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 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 5.72 0.00 1.61 1.04 -1.26 -5.00 113.70 115.81 1b4r s SER 44 Ca 0.00 -1.89 0.00 0.00 0.48 0.00 0.00 55.95 54.54 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 -0.69 0.00 0.00 0.98 0.00 0.00 173.24 173.53 1b4r n ALA 45 N 4.92 0.00 -1.60 5.32 0.00 -1.26 -1.64 120.51 126.25 1b4r n ALA 45 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 1b4r n ALA 45 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.01 1.36 -3.75 0.00 0.28 -1.26 -1.42 120.64 115.84 1b4r n GLU 46 Ca 0.00 0.48 -0.26 0.00 -0.16 0.00 0.00 57.16 57.22 1b4r n GLU 46 Cb 0.00 -1.95 -0.17 0.00 1.43 0.00 0.00 31.44 30.75 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 -1.19 0.47 -0.61 3.84 1.01 0.16 -4.81 120.40 119.27 1b4r s VAL 47 Ca 0.61 -0.30 -0.19 0.00 0.00 0.00 0.00 61.98 62.10 1b4r s VAL 47 Cb -0.62 -0.85 0.11 0.00 0.00 0.00 0.00 36.38 35.03 1b4r s VAL 47 CO 0.59 -0.03 0.71 -1.81 0.00 0.00 0.00 175.10 174.56 1b4r s ASP 48 N 1.90 6.21 0.38 3.32 1.11 -1.26 -0.17 116.67 128.16 1b4r s ASP 48 Ca 0.01 -1.49 0.08 0.00 0.18 0.00 0.00 52.55 51.33 1b4r s ASP 48 Cb -0.15 -2.30 -0.04 0.00 1.07 0.00 0.00 42.92 41.50 1b4r s ASP 48 CO -0.07 -1.10 0.22 0.00 1.18 0.00 0.00 175.17 175.41 1b4r s ALA 49 N 2.60 3.69 0.13 5.23 0.00 0.43 -4.99 121.76 128.85 1b4r s ALA 49 Ca 0.12 -1.91 0.02 0.00 0.00 0.00 0.00 51.96 50.19 1b4r s ALA 49 Cb -0.23 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 1b4r s ALA 49 CO 0.05 -0.09 0.26 0.00 0.00 0.00 0.00 175.76 175.98 1b4r s ALA 50 N -2.48 3.96 0.00 0.00 0.00 -1.25 -1.28 121.76 120.71 1b4r s ALA 50 Ca 0.41 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1b4r s ALA 50 Cb -0.01 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.34 1b4r s ALA 50 CO 0.24 0.61 0.00 0.41 0.00 0.00 0.00 175.76 177.02 1b4r n GLY 51 N -0.32 0.73 1.88 0.00 0.00 -0.36 -2.03 105.19 105.10 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 -3.97 1.61 -0.04 -1.26 -3.01 135.00 130.10 1b4r n PRO 52 Ca 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 63.50 61.87 1b4r n PRO 52 Cb 0.00 -1.59 -0.09 0.00 -0.04 0.00 0.00 33.50 31.77 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 -1.73 0.09 0.02 0.55 0.00 -0.86 -0.29 121.76 119.54 1b4r s ALA 53 Ca 0.30 -0.74 -0.04 0.00 0.00 0.00 0.00 51.96 51.48 1b4r s ALA 53 Cb 0.23 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.64 1b4r s ALA 53 CO -0.01 -0.34 0.20 0.00 0.00 0.00 0.00 175.76 175.61 1b4r n ALA 54 N 0.58 -0.52 -3.21 0.00 0.00 -0.54 -3.77 120.51 113.05 1b4r n ALA 54 Ca -0.18 -0.17 -0.13 0.00 0.00 0.00 0.00 53.44 52.96 1b4r n ALA 54 Cb 0.59 0.08 -0.09 0.00 0.00 0.00 0.00 19.45 20.04 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 -1.45 -0.16 -0.03 0.00 0.01 -1.26 0.04 113.70 110.85 1b4r s SER 55 Ca 0.04 0.04 -0.01 0.00 1.31 0.00 0.00 55.95 57.33 1b4r s SER 55 Cb -0.00 0.30 -0.04 0.00 0.21 0.00 0.00 66.02 66.49 1b4r s SER 55 CO 0.01 -0.45 0.04 -1.00 0.41 0.00 0.00 173.24 172.25 1b4r s HIS 56 N -1.39 3.20 -0.56 2.43 3.76 0.16 -4.86 115.29 118.03 1b4r s HIS 56 Ca -0.13 0.18 0.02 0.00 -0.15 0.00 0.00 55.06 54.98 1b4r s HIS 56 Cb -0.05 -1.74 0.14 0.00 1.11 0.00 0.00 32.58 32.04 1b4r s HIS 56 CO 0.04 0.51 0.32 -0.98 -0.85 0.00 0.00 174.74 173.78 1b4r s ARG 57 N -1.43 2.16 0.02 1.40 1.70 -1.26 -0.09 118.95 121.45 1b4r s ARG 57 Ca 0.19 -2.66 -0.17 0.00 -0.47 0.00 0.00 55.73 52.62 1b4r s ARG 57 Cb -0.12 -3.43 -0.06 0.00 -0.57 0.00 0.00 34.95 30.78 1b4r s ARG 57 CO 0.09 -1.14 0.48 0.71 -1.08 0.00 0.00 175.30 174.37 1b4r s TYR 58 N -0.33 3.74 0.00 5.89 2.02 -0.24 -4.82 117.35 123.61 1b4r s TYR 58 Ca 0.18 1.10 0.00 0.00 -0.37 0.00 0.00 57.07 57.98 1b4r s TYR 58 Cb -0.23 -2.40 0.00 0.00 -0.40 0.00 0.00 41.96 38.92 1b4r s TYR 58 CO -0.02 0.57 0.00 1.55 -1.57 0.00 0.00 175.55 176.09 1b4r n VAL 59 N 1.97 0.00 -3.17 0.71 3.14 -1.26 -0.27 118.33 119.45 1b4r n VAL 59 Ca -0.12 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 60.92 1b4r n VAL 59 Cb 0.52 -0.56 -0.06 0.00 -1.06 0.00 0.00 33.84 32.68 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 -4.07 4.25 -0.27 6.55 0.20 -1.26 -3.02 118.68 121.06 1b4r s LEU 60 Ca 0.00 1.29 -0.29 0.00 0.69 0.00 0.00 54.13 55.82 1b4r s LEU 60 Cb 0.00 -3.68 0.01 0.00 -0.43 0.00 0.00 46.19 42.08 1b4r s LEU 60 CO 0.00 -0.03 1.15 -2.16 -0.29 0.00 0.00 176.35 175.02 1b4r s PRO 61 N -2.31 4.11 0.00 0.98 0.04 -1.26 -4.77 135.00 131.78 1b4r s PRO 61 Ca 0.46 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1b4r s PRO 61 Cb -0.14 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.65 1b4r s PRO 61 CO 0.20 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 176.79 1b4r n GLY 62 N 3.80 -0.53 3.24 0.56 0.00 0.87 -4.94 105.19 108.19 1b4r n GLY 62 Ca 0.13 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.79 1.71 0.34 1.61 0.52 -1.26 0.47 118.95 120.55 1b4r s ARG 63 Ca 0.00 -0.81 0.10 0.00 -0.52 0.00 0.00 55.73 54.50 1b4r s ARG 63 Cb 0.00 -1.68 -0.06 0.00 0.52 0.00 0.00 34.95 33.72 1b4r s ARG 63 CO 0.00 0.46 -0.11 0.71 0.02 0.00 0.00 175.30 176.38 1b4r s TYR 64 N -0.55 2.39 -0.14 -0.53 1.51 -0.25 -4.93 117.35 114.85 1b4r s TYR 64 Ca 0.08 -0.48 0.00 0.00 -1.01 0.00 0.00 57.07 55.67 1b4r s TYR 64 Cb -0.08 -1.34 -0.01 0.00 -0.11 0.00 0.00 41.96 40.42 1b4r s TYR 64 CO -0.00 0.60 -0.15 -1.58 -1.11 0.00 0.00 175.55 173.31 1b4r s HIS 65 N -2.60 2.77 0.14 2.71 5.65 -1.26 -1.44 115.29 121.26 1b4r s HIS 65 Ca 0.32 -0.89 0.06 0.00 0.25 0.00 0.00 55.06 54.80 1b4r s HIS 65 Cb 0.02 -1.86 -0.04 0.00 -1.18 0.00 0.00 32.58 29.52 1b4r s HIS 65 CO 0.16 -0.37 -0.00 0.08 -0.65 0.00 0.00 174.74 173.96 1b4r s VAL 66 N 0.61 3.83 0.08 0.89 1.01 0.14 -4.59 120.40 122.36 1b4r s VAL 66 Ca -0.08 -1.23 -0.09 0.00 0.00 0.00 0.00 61.98 60.57 1b4r s VAL 66 Cb -0.16 -2.88 -0.00 0.00 0.00 0.00 0.00 36.38 33.35 1b4r s VAL 66 CO 0.03 -0.00 0.19 0.42 0.00 0.00 0.00 175.10 175.74 1b4r s THR 67 N -1.52 0.13 -0.24 3.92 -4.23 -1.01 0.16 115.64 112.85 1b4r s THR 67 Ca 0.26 -1.10 -0.07 0.00 -1.18 0.00 0.00 61.69 59.60 1b4r s THR 67 Cb -0.10 -1.23 0.12 0.00 1.34 0.00 0.00 72.50 72.63 1b4r s THR 67 CO 0.18 -0.61 0.50 0.00 -0.54 0.00 0.00 174.62 174.15 1b4r s ALA 68 N -3.52 -1.52 -0.34 3.99 0.00 -0.56 0.09 121.76 119.90 1b4r s ALA 68 Ca 0.02 1.72 -0.07 0.00 0.00 0.00 0.00 51.96 53.63 1b4r s ALA 68 Cb 0.03 -1.58 0.03 0.00 0.00 0.00 0.00 23.12 21.61 1b4r s ALA 68 CO -0.09 -0.92 0.12 0.54 0.00 0.00 0.00 175.76 175.41 1b4r s VAL 69 N 2.71 3.95 0.35 0.00 0.11 0.11 0.80 120.40 128.42 1b4r s VAL 69 Ca 0.01 -1.04 -0.08 0.00 -2.93 0.00 0.00 61.98 57.94 1b4r s VAL 69 Cb -0.13 -3.21 -0.06 0.00 -1.53 0.00 0.00 36.38 31.45 1b4r s VAL 69 CO -0.16 -0.17 0.67 -0.76 -3.33 0.00 0.00 175.10 171.35 1b4r s LEU 70 N 1.44 3.95 -0.13 2.54 1.43 -0.29 -0.35 118.68 127.26 1b4r s LEU 70 Ca -0.01 0.94 -0.01 0.00 -1.03 0.00 0.00 54.13 54.02 1b4r s LEU 70 Cb -0.19 -3.79 0.04 0.00 0.03 0.00 0.00 46.19 42.28 1b4r s LEU 70 CO 0.04 -0.30 -0.01 0.00 0.23 0.00 0.00 176.35 176.31 1b4r s ALA 71 N -2.22 1.02 -0.53 4.21 0.00 -0.50 -3.16 121.76 120.58 1b4r s ALA 71 Ca 0.48 -0.46 0.16 0.00 0.00 0.00 0.00 51.96 52.13 1b4r s ALA 71 Cb -0.10 -0.95 -0.19 0.00 0.00 0.00 0.00 23.12 21.88 1b4r s ALA 71 CO 0.30 -0.69 0.57 1.28 0.00 0.00 0.00 175.76 177.22 1b4r n LEU 72 N 5.04 0.52 0.00 0.00 4.32 -0.29 -3.81 117.00 122.78 1b4r n LEU 72 Ca -0.09 -0.36 0.00 0.00 -0.02 0.00 0.00 56.01 55.54 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 0.13 0.13 0.00 0.61 -1.22 0.00 0.00 177.39 177.04 1b4r n GLY 73 N 1.43 3.09 0.12 -0.72 0.00 -1.26 -4.64 105.19 103.21 1b4r n GLY 73 Ca 0.01 -0.89 0.03 0.00 0.00 0.00 0.00 46.02 45.17 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 2.70 -3.20 4.61 0.00 -1.26 -5.04 120.51 118.31 1b4r n ALA 74 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 53.44 53.01 1b4r n ALA 74 Cb 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 19.45 19.16 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 -1.19 0.13 0.25 0.00 0.00 -1.26 -5.18 107.32 100.07 1b4r s GLY 75 Ca 0.05 -0.48 -0.11 0.00 0.00 0.00 0.00 44.72 44.18 1b4r s GLY 75 CO 0.19 -0.43 0.46 -1.35 0.00 0.00 0.00 173.10 171.97 1b4r s SER 76 N -2.92 -0.00 -0.09 1.64 1.04 -1.26 -1.14 113.70 110.97 1b4r s SER 76 Ca 0.13 -1.01 -0.06 0.00 0.48 0.00 0.00 55.95 55.50 1b4r s SER 76 Cb -0.00 0.58 0.03 0.00 0.10 0.00 0.00 66.02 66.73 1b4r s SER 76 CO 0.00 -1.14 0.21 0.00 0.98 0.00 0.00 173.24 173.29 1b4r s ALA 77 N -3.92 -0.50 -0.19 5.32 0.00 -1.19 -4.84 121.76 116.44 1b4r s ALA 77 Ca 0.24 0.75 -0.09 0.00 0.00 0.00 0.00 51.96 52.86 1b4r s ALA 77 Cb -0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 1b4r s ALA 77 CO 0.10 -0.14 0.11 -0.51 0.00 0.00 0.00 175.76 175.32 1b4r s LEU 78 N 0.67 4.12 0.20 0.00 1.02 -1.25 -1.14 118.68 122.30 1b4r s LEU 78 Ca -0.05 0.21 0.11 0.00 0.02 0.00 0.00 54.13 54.42 1b4r s LEU 78 Cb -0.06 -2.05 -0.04 0.00 0.02 0.00 0.00 46.19 44.05 1b4r s LEU 78 CO -0.04 0.20 -0.18 -0.76 0.02 0.00 0.00 176.35 175.59 1b4r s LEU 79 N 0.21 2.64 -0.43 1.79 2.01 0.24 -3.98 118.68 121.15 1b4r s LEU 79 Ca 0.07 -0.79 0.06 0.00 0.01 0.00 0.00 54.13 53.48 1b4r s LEU 79 Cb -0.11 -1.32 0.18 0.00 0.01 0.00 0.00 46.19 44.95 1b4r s LEU 79 CO -0.01 0.10 0.70 -0.83 1.01 0.00 0.00 176.35 177.33 1b4r s GLY 80 N -2.85 -1.31 0.16 -3.19 0.00 -1.25 -1.50 107.32 97.38 1b4r s GLY 80 Ca 0.23 0.11 0.02 0.00 0.00 0.00 0.00 44.72 45.09 1b4r s GLY 80 CO 0.12 3.73 0.16 -1.30 0.00 0.00 0.00 173.10 175.82 1b4r n THR 81 N 3.87 0.00 -3.72 0.90 -2.24 0.12 -4.88 114.28 108.34 1b4r n THR 81 Ca 0.13 -0.60 -0.13 0.00 -2.27 0.00 0.00 64.05 61.18 1b4r n THR 81 Cb 0.57 -0.56 -0.07 0.00 -2.10 0.00 0.00 70.33 68.17 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 -1.97 -0.22 0.10 3.42 1.01 -1.26 0.25 116.67 118.00 1b4r s ASP 82 Ca 0.12 0.01 0.04 0.00 0.71 0.00 0.00 52.55 53.43 1b4r s ASP 82 Cb -0.01 0.37 -0.04 0.00 1.01 0.00 0.00 42.92 44.25 1b4r s ASP 82 CO 0.08 -0.57 -0.10 0.54 0.21 0.00 0.00 175.17 175.32 1b4r s VAL 83 N -2.03 0.97 -0.53 -1.27 0.11 -0.52 -4.92 120.40 112.21 1b4r s VAL 83 Ca -0.08 -1.66 0.04 0.00 -2.93 0.00 0.00 61.98 57.34 1b4r s VAL 83 Cb -0.02 -1.39 0.14 0.00 -1.53 0.00 0.00 36.38 33.58 1b4r s VAL 83 CO 0.00 -0.56 0.29 -1.58 -3.33 0.00 0.00 175.10 169.93 1b4r s GLN 84 N -2.83 1.91 0.20 1.54 0.74 -1.26 -1.09 119.66 118.87 1b4r s GLN 84 Ca 0.06 -2.62 -0.28 0.00 0.05 0.00 0.00 55.36 52.57 1b4r s GLN 84 Cb -0.03 -3.12 -0.08 0.00 1.10 0.00 0.00 33.01 30.88 1b4r s GLN 84 CO 0.00 -1.15 0.87 0.08 -0.55 0.00 0.00 175.29 174.54 1b4r s VAL 85 N -0.35 4.21 0.42 1.34 1.01 0.18 -4.55 120.40 122.65 1b4r s VAL 85 Ca 0.19 1.92 0.07 0.00 0.00 0.00 0.00 61.98 64.15 1b4r s VAL 85 Cb -0.22 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 31.85 1b4r s VAL 85 CO -0.03 0.51 0.09 -1.61 0.00 0.00 0.00 175.10 174.05 1b4r s GLU 86 N -1.14 2.09 0.00 2.72 0.41 -0.21 -0.09 118.70 122.47 1b4r s GLU 86 Ca 0.39 -2.02 0.09 0.00 -0.41 0.00 0.00 54.97 53.02 1b4r s GLU 86 Cb -0.25 -1.78 0.07 0.00 -1.78 0.00 0.00 34.13 30.39 1b4r s GLU 86 CO 0.29 -0.11 0.79 0.00 -0.49 0.00 0.00 175.26 175.74