#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 3.26 -0.51 0.00 -1.32 0.14 -4.61 115.64 112.61 1b4r s THR 9 Ca 0.00 0.81 -0.26 0.00 -1.21 0.00 0.00 61.69 61.03 1b4r s THR 9 Cb 0.00 -3.34 0.03 0.00 -1.51 0.00 0.00 72.50 67.68 1b4r s THR 9 CO 0.00 -0.15 0.97 -0.76 -2.21 0.00 0.00 174.62 172.48 1b4r s LEU 10 N -3.62 3.95 -0.29 9.08 1.02 -1.26 -1.73 118.68 125.83 1b4r s LEU 10 Ca 0.70 -0.02 0.02 0.00 0.02 0.00 0.00 54.13 54.86 1b4r s LEU 10 Cb -0.23 -3.09 0.08 0.00 0.02 0.00 0.00 46.19 42.97 1b4r s LEU 10 CO 0.27 -1.17 0.00 -0.69 0.02 0.00 0.00 176.35 174.78 1b4r s VAL 11 N 4.00 1.83 -0.71 -1.59 1.01 -0.41 -5.01 120.40 119.51 1b4r s VAL 11 Ca 0.36 -1.77 0.05 0.00 0.00 0.00 0.00 61.98 60.61 1b4r s VAL 11 Cb -0.10 -2.21 0.20 0.00 0.00 0.00 0.00 36.38 34.27 1b4r s VAL 11 CO 0.24 -0.39 0.63 0.61 0.00 0.00 0.00 175.10 176.19 1b4r n GLY 12 N 4.49 4.33 3.79 4.51 0.00 -1.26 0.41 105.19 121.46 1b4r n GLY 12 Ca -0.04 -2.66 -0.34 0.00 0.00 0.00 0.00 46.02 42.98 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 3.62 0.00 1.61 0.04 -0.93 -4.69 135.00 132.80 1b4r s PRO 13 Ca 0.30 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1b4r s PRO 13 Cb 0.02 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1b4r s PRO 13 CO -0.11 -0.60 0.00 1.58 0.04 0.00 0.00 177.00 177.91 1b4r n HIS 14 N -1.17 0.00 0.00 0.56 -0.00 -1.26 -1.71 115.22 111.64 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 0.61 3.80 1.57 0.00 -1.26 -4.97 105.19 104.93 1b4r n GLY 15 Ca 0.00 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 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 4.20 -0.27 1.61 0.04 -1.26 -5.04 135.00 134.28 1b4r s PRO 16 Ca 0.00 1.31 -0.05 0.00 0.04 0.00 0.00 61.00 62.30 1b4r s PRO 16 Cb 0.00 -2.38 0.01 0.00 0.04 0.00 0.00 34.50 32.17 1b4r s PRO 16 CO 0.00 -0.08 0.03 -0.51 0.04 0.00 0.00 177.00 176.48 1b4r s LEU 17 N -2.88 3.54 0.25 -3.56 2.01 -1.26 -5.05 118.68 111.73 1b4r s LEU 17 Ca 0.60 -0.70 0.07 0.00 0.01 0.00 0.00 54.13 54.11 1b4r s LEU 17 Cb -0.16 -1.80 -0.04 0.00 0.01 0.00 0.00 46.19 44.20 1b4r s LEU 17 CO 0.20 -0.15 0.19 0.00 1.01 0.00 0.00 176.35 177.60 1b4r s ALA 18 N 1.45 3.56 -0.07 4.21 0.00 -1.26 -1.12 121.76 128.53 1b4r s ALA 18 Ca 0.02 -1.43 -0.33 0.00 0.00 0.00 0.00 51.96 50.22 1b4r s ALA 18 Cb -0.17 -1.27 -0.11 0.00 0.00 0.00 0.00 23.12 21.57 1b4r s ALA 18 CO -0.00 0.25 1.93 0.45 0.00 0.00 0.00 175.76 178.39 1b4r n SER 19 N -1.16 3.58 -0.41 0.00 2.88 0.14 -2.37 113.62 116.29 1b4r n SER 19 Ca -0.08 0.91 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 1b4r n SER 19 Cb 0.58 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 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 4.57 0.63 3.27 0.46 0.00 -0.22 -4.91 105.19 108.99 1b4r n GLY 20 Ca 0.23 -0.26 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.70 1.10 -0.64 1.61 -1.52 0.54 -4.95 119.66 114.10 1b4r s GLN 21 Ca 0.00 -1.25 -0.06 0.00 -1.95 0.00 0.00 55.36 52.10 1b4r s GLN 21 Cb 0.00 -1.11 0.17 0.00 -0.22 0.00 0.00 33.01 31.84 1b4r s GLN 21 CO 0.00 0.23 0.49 -1.17 -0.25 0.00 0.00 175.29 174.59 1b4r s LEU 22 N -2.35 5.66 0.67 2.90 1.98 -1.26 -1.27 118.68 125.01 1b4r s LEU 22 Ca 0.09 -2.64 -0.14 0.00 -2.89 0.00 0.00 54.13 48.56 1b4r s LEU 22 Cb -0.07 -1.96 0.00 0.00 0.66 0.00 0.00 46.19 44.83 1b4r s LEU 22 CO 0.04 -0.47 1.09 0.00 -1.89 0.00 0.00 176.35 175.12 1b4r s ALA 23 N 0.26 2.51 -0.23 5.97 0.00 0.93 -4.78 121.76 126.43 1b4r s ALA 23 Ca 0.15 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.54 1b4r s ALA 23 Cb -0.19 -3.28 0.05 0.00 0.00 0.00 0.00 23.12 19.70 1b4r s ALA 23 CO -0.04 -1.26 -0.10 0.00 0.00 0.00 0.00 175.76 174.35 1b4r s ALA 24 N -2.53 2.22 0.49 0.00 0.00 -0.70 0.30 121.76 121.53 1b4r s ALA 24 Ca 0.64 -1.43 0.09 0.00 0.00 0.00 0.00 51.96 51.26 1b4r s ALA 24 Cb -0.18 -1.41 0.04 0.00 0.00 0.00 0.00 23.12 21.57 1b4r s ALA 24 CO 0.44 -0.99 0.65 -0.06 0.00 0.00 0.00 175.76 175.80 1b4r s PHE 25 N 1.28 2.18 -0.23 0.00 0.40 0.14 -2.19 117.98 119.57 1b4r s PHE 25 Ca -0.04 -0.55 -0.29 0.00 -0.60 0.00 0.00 56.93 55.45 1b4r s PHE 25 Cb -0.18 -2.28 0.15 0.00 0.51 0.00 0.00 43.02 41.22 1b4r s PHE 25 CO -0.07 -0.71 1.15 -3.38 0.70 0.00 0.00 175.22 172.90 1b4r s HIS 26 N -2.50 -0.26 0.21 0.36 -3.43 0.17 -1.28 115.29 108.56 1b4r s HIS 26 Ca 0.57 0.50 0.08 0.00 -0.80 0.00 0.00 55.06 55.41 1b4r s HIS 26 Cb -0.08 0.45 -0.04 0.00 -1.43 0.00 0.00 32.58 31.49 1b4r s HIS 26 CO 0.35 -0.21 -0.00 0.42 -2.00 0.00 0.00 174.74 173.30 1b4r s ILE 27 N -0.78 3.59 -0.08 -5.38 -1.09 0.82 -1.29 121.20 116.99 1b4r s ILE 27 Ca 0.03 -1.63 -0.00 0.00 -2.23 0.00 0.00 60.65 56.81 1b4r s ILE 27 Cb -0.02 -2.85 0.02 0.00 -1.58 0.00 0.00 42.46 38.03 1b4r s ILE 27 CO -0.04 -0.22 -0.04 0.00 -1.23 0.00 0.00 174.94 173.41 1b4r s ALA 28 N -1.97 0.97 0.00 9.38 0.00 -0.70 -4.81 121.76 124.62 1b4r s ALA 28 Ca 0.29 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1b4r s ALA 28 Cb -0.08 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.30 1b4r s ALA 28 CO 0.19 -0.33 0.00 0.00 0.00 0.00 0.00 175.76 175.62 1b4r n ALA 29 N 4.79 0.00 -2.26 0.00 0.00 -1.26 0.27 120.51 122.04 1b4r n ALA 29 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.91 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 2.76 -0.30 0.00 -0.04 -1.26 -4.83 135.00 131.33 1b4r n PRO 30 Ca 0.00 -2.94 -0.03 0.00 -0.04 0.00 0.00 63.50 60.49 1b4r n PRO 30 Cb 0.00 -3.47 0.00 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 9.04 -0.57 -4.57 1.53 7.99 -1.26 -2.71 117.00 126.46 1b4r n LEU 31 Ca 0.49 1.33 -0.43 0.00 -0.01 0.00 0.00 56.01 57.39 1b4r n LEU 31 Cb 0.45 -0.27 -0.00 0.00 -0.11 0.00 0.00 43.42 43.48 1b4r n LEU 31 CO 0.79 -1.17 1.88 -2.16 -1.51 0.00 0.00 177.39 175.22 1b4r s PRO 32 N -5.63 3.94 0.11 3.23 0.04 -1.26 -4.95 135.00 130.47 1b4r s PRO 32 Ca -0.10 -1.93 0.07 0.00 0.04 0.00 0.00 61.00 59.08 1b4r s PRO 32 Cb 0.14 -5.49 -0.04 0.00 0.04 0.00 0.00 34.50 29.15 1b4r s PRO 32 CO 0.52 -2.22 -0.07 0.08 0.04 0.00 0.00 177.00 175.35 1b4r s VAL 33 N 4.16 3.53 -0.03 -0.36 1.01 -1.10 -4.97 120.40 122.65 1b4r s VAL 33 Ca 0.52 -1.22 0.03 0.00 0.00 0.00 0.00 61.98 61.31 1b4r s VAL 33 Cb 0.03 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1b4r s VAL 33 CO 0.05 0.10 0.02 0.35 0.00 0.00 0.00 175.10 175.62 1b4r n THR 34 N 0.61 0.19 -3.62 3.92 -2.24 -1.26 -4.41 114.28 107.47 1b4r n THR 34 Ca -0.13 -0.13 -0.15 0.00 -2.27 0.00 0.00 64.05 61.38 1b4r n THR 34 Cb 0.52 -0.77 -0.07 0.00 -2.10 0.00 0.00 70.33 67.91 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 -2.09 -1.59 0.13 6.98 0.00 -1.26 -1.18 121.76 122.76 1b4r s ALA 35 Ca -0.02 1.56 0.05 0.00 0.00 0.00 0.00 51.96 53.56 1b4r s ALA 35 Cb 0.01 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1b4r s ALA 35 CO 0.13 -0.32 -0.12 -0.08 0.00 0.00 0.00 175.76 175.37 1b4r s THR 36 N -0.24 1.22 -0.29 0.00 -1.32 -0.55 -1.59 115.64 112.88 1b4r s THR 36 Ca -0.04 -1.88 0.02 0.00 -1.21 0.00 0.00 61.69 58.57 1b4r s THR 36 Cb -0.03 -1.66 0.08 0.00 -1.51 0.00 0.00 72.50 69.38 1b4r s THR 36 CO 0.04 -0.59 0.02 -0.60 -2.21 0.00 0.00 174.62 171.27 1b4r s ARG 37 N -3.21 1.38 0.71 7.08 3.52 0.42 -0.83 118.95 128.03 1b4r s ARG 37 Ca 0.12 -1.32 -0.04 0.00 -0.13 0.00 0.00 55.73 54.36 1b4r s ARG 37 Cb -0.01 -2.66 0.15 0.00 -1.56 0.00 0.00 34.95 30.86 1b4r s ARG 37 CO 0.02 -0.81 0.97 0.91 -0.81 0.00 0.00 175.30 175.58 1b4r n TRP 38 N 4.56 -3.28 -3.39 5.12 7.02 0.53 -0.23 117.44 127.78 1b4r n TRP 38 Ca -0.04 -1.41 -0.15 0.00 -1.02 0.00 0.00 57.50 54.88 1b4r n TRP 38 Cb 0.43 -0.72 -0.09 0.00 -2.42 0.00 0.00 31.31 28.50 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 -4.80 1.24 -0.04 -0.99 1.01 0.15 0.49 116.67 113.72 1b4r s ASP 39 Ca 0.61 -0.49 -0.01 0.00 0.71 0.00 0.00 52.55 53.37 1b4r s ASP 39 Cb -0.03 0.67 -0.00 0.00 1.01 0.00 0.00 42.92 44.57 1b4r s ASP 39 CO 0.41 -0.36 -0.01 -0.26 0.21 0.00 0.00 175.17 175.16 1b4r h PHE 40 N 8.24 0.00 0.00 4.23 0.04 -1.25 -2.89 116.94 125.31 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 1.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.25 1b4r h PHE 40 CO 0.24 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.36 1b4r n GLY 41 N 1.88 0.97 2.10 -1.45 0.00 -0.65 -3.81 105.19 104.22 1b4r n GLY 41 Ca -0.00 -0.01 -0.23 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 0.01 4.79 0.00 1.61 5.68 -1.26 -4.71 116.55 122.67 1b4r n ASP 42 Ca 0.00 -3.44 0.00 0.00 -0.50 0.00 0.00 54.79 50.85 1b4r n ASP 42 Cb 0.00 -0.86 0.00 0.00 -1.14 0.00 0.00 41.12 39.12 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 -0.80 2.29 3.20 6.12 0.00 -1.26 -4.84 105.19 109.89 1b4r n GLY 43 Ca 0.52 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.06 5.58 0.00 1.61 0.01 -1.26 -5.00 113.70 114.58 1b4r s SER 44 Ca 0.00 -1.88 0.00 0.00 1.31 0.00 0.00 55.95 55.38 1b4r s SER 44 Cb 0.00 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.27 1b4r s SER 44 CO 0.00 -0.63 0.04 0.00 0.41 0.00 0.00 173.24 173.05 1b4r n ALA 45 N 4.83 0.00 -1.56 1.44 0.00 -1.26 -1.64 120.51 122.32 1b4r n ALA 45 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 1b4r n ALA 45 Cb 0.41 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.15 1.06 -3.73 0.00 1.02 -1.26 -1.46 120.64 116.12 1b4r n GLU 46 Ca 0.00 0.38 -0.29 0.00 -0.02 0.00 0.00 57.16 57.24 1b4r n GLU 46 Cb 0.00 -1.88 -0.16 0.00 -0.02 0.00 0.00 31.44 29.38 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 -1.35 0.63 -0.34 2.62 1.01 0.18 -4.77 120.40 118.37 1b4r s VAL 47 Ca 0.64 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 61.48 1b4r s VAL 47 Cb -0.56 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 34.57 1b4r s VAL 47 CO 0.56 -0.40 0.95 -1.81 0.00 0.00 0.00 175.10 174.40 1b4r s ASP 48 N 1.78 6.77 0.23 3.32 1.01 -1.26 -0.35 116.67 128.17 1b4r s ASP 48 Ca 0.03 0.77 0.05 0.00 0.71 0.00 0.00 52.55 54.11 1b4r s ASP 48 Cb -0.17 -2.48 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 1b4r s ASP 48 CO -0.16 -0.81 -0.05 0.00 0.21 0.00 0.00 175.17 174.36 1b4r s ALA 49 N 3.43 1.93 0.17 5.23 0.00 -0.01 -4.97 121.76 127.53 1b4r s ALA 49 Ca 0.40 -1.76 -0.04 0.00 0.00 0.00 0.00 51.96 50.55 1b4r s ALA 49 Cb -0.12 0.29 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 1b4r s ALA 49 CO 0.16 -0.15 0.40 0.00 0.00 0.00 0.00 175.76 176.17 1b4r s ALA 50 N -3.25 3.77 0.00 0.00 0.00 -1.24 -1.48 121.76 119.56 1b4r s ALA 50 Ca 0.26 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1b4r s ALA 50 Cb 0.04 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 21.02 1b4r s ALA 50 CO 0.08 0.60 0.00 0.41 0.00 0.00 0.00 175.76 176.85 1b4r n GLY 51 N -0.12 0.76 1.82 0.00 0.00 -0.32 -1.86 105.19 105.47 1b4r n GLY 51 Ca -0.02 -0.74 -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 1.70 -4.05 1.61 -0.04 -1.26 -2.54 135.00 130.42 1b4r n PRO 52 Ca 0.00 -1.39 -0.08 0.00 -0.04 0.00 0.00 63.50 61.99 1b4r n PRO 52 Cb 0.00 -1.54 -0.10 0.00 -0.04 0.00 0.00 33.50 31.81 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 -1.60 0.39 0.00 0.55 0.00 -0.78 -0.13 121.76 120.19 1b4r s ALA 53 Ca 0.27 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1b4r s ALA 53 Cb 0.22 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.54 1b4r s ALA 53 CO 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 175.76 175.50 1b4r n ALA 54 N 0.75 0.00 -3.38 0.00 0.00 -0.40 -3.62 120.51 113.85 1b4r n ALA 54 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.12 1b4r n ALA 54 Cb 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.89 -0.47 -0.15 0.00 0.01 -1.26 0.26 113.70 111.20 1b4r s SER 55 Ca 0.00 0.74 -0.16 0.00 1.31 0.00 0.00 55.95 57.85 1b4r s SER 55 Cb 0.00 0.77 -0.04 0.00 0.21 0.00 0.00 66.02 66.96 1b4r s SER 55 CO 0.00 -0.31 0.37 -1.00 0.41 0.00 0.00 173.24 172.70 1b4r s HIS 56 N -0.36 3.48 -0.86 2.43 3.76 0.15 -4.86 115.29 119.02 1b4r s HIS 56 Ca -0.05 0.71 -0.07 0.00 -0.15 0.00 0.00 55.06 55.49 1b4r s HIS 56 Cb -0.03 -2.43 0.22 0.00 1.11 0.00 0.00 32.58 31.45 1b4r s HIS 56 CO 0.03 0.20 0.77 -0.98 -0.85 0.00 0.00 174.74 173.92 1b4r s ARG 57 N 0.56 3.42 -0.06 1.40 1.70 -1.26 -0.05 118.95 124.66 1b4r s ARG 57 Ca 0.20 -2.85 -0.17 0.00 -0.47 0.00 0.00 55.73 52.44 1b4r s ARG 57 Cb -0.14 -4.18 -0.05 0.00 -0.57 0.00 0.00 34.95 30.01 1b4r s ARG 57 CO 0.06 -1.25 0.45 0.71 -1.08 0.00 0.00 175.30 174.20 1b4r s TYR 58 N -0.58 3.61 0.00 5.89 2.02 -0.40 -4.91 117.35 122.98 1b4r s TYR 58 Ca 0.23 0.95 0.00 0.00 -0.37 0.00 0.00 57.07 57.87 1b4r s TYR 58 Cb -0.12 -2.45 0.00 0.00 -0.40 0.00 0.00 41.96 38.99 1b4r s TYR 58 CO -0.08 0.37 0.22 1.33 -1.57 0.00 0.00 175.55 175.81 1b4r n VAL 59 N 2.88 0.00 -5.10 0.71 0.24 -1.26 -0.34 118.33 115.46 1b4r n VAL 59 Ca -0.10 -0.32 -0.32 0.00 -2.04 0.00 0.00 64.34 61.57 1b4r n VAL 59 Cb 0.52 1.25 -0.15 0.00 -1.47 0.00 0.00 33.84 33.99 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 -0.40 2.34 -0.46 1.34 0.20 -1.26 -3.93 118.68 116.51 1b4r s LEU 60 Ca 0.00 -0.37 -0.29 0.00 0.69 0.00 0.00 54.13 54.16 1b4r s LEU 60 Cb 0.00 -1.43 0.02 0.00 -0.43 0.00 0.00 46.19 44.35 1b4r s LEU 60 CO 0.00 0.32 1.28 -2.16 -0.29 0.00 0.00 176.35 175.50 1b4r s PRO 61 N -0.73 3.62 0.00 0.98 0.04 -1.26 -4.73 135.00 132.91 1b4r s PRO 61 Ca 0.11 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.84 1b4r s PRO 61 Cb -0.10 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1b4r s PRO 61 CO 0.00 -1.52 0.00 0.41 0.04 0.00 0.00 177.00 175.93 1b4r n GLY 62 N 4.99 -0.73 3.72 0.56 0.00 0.12 -4.94 105.19 108.91 1b4r n GLY 62 Ca 0.14 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.02 2.45 0.16 1.61 1.70 -1.26 -0.39 118.95 122.21 1b4r s ARG 63 Ca 0.00 -1.40 -0.08 0.00 -0.47 0.00 0.00 55.73 53.78 1b4r s ARG 63 Cb 0.00 -2.25 -0.01 0.00 -0.57 0.00 0.00 34.95 32.12 1b4r s ARG 63 CO 0.00 0.26 0.26 0.71 -1.08 0.00 0.00 175.30 175.45 1b4r s TYR 64 N -2.33 0.44 0.15 5.89 2.02 0.43 -4.88 117.35 119.07 1b4r s TYR 64 Ca 0.35 -0.80 0.09 0.00 -0.37 0.00 0.00 57.07 56.33 1b4r s TYR 64 Cb -0.05 -0.09 -0.04 0.00 -0.40 0.00 0.00 41.96 41.38 1b4r s TYR 64 CO 0.22 -0.70 -0.19 -1.58 -1.57 0.00 0.00 175.55 171.73 1b4r s HIS 65 N -3.98 1.83 0.02 2.71 5.65 -1.25 -1.07 115.29 119.21 1b4r s HIS 65 Ca 0.18 -0.45 0.03 0.00 0.25 0.00 0.00 55.06 55.06 1b4r s HIS 65 Cb 0.04 -0.93 -0.02 0.00 -1.18 0.00 0.00 32.58 30.49 1b4r s HIS 65 CO 0.00 0.31 -0.09 0.08 -0.65 0.00 0.00 174.74 174.39 1b4r s VAL 66 N -1.82 0.67 0.10 0.89 1.01 0.10 -4.42 120.40 116.93 1b4r s VAL 66 Ca 0.14 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 1b4r s VAL 66 Cb -0.07 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.69 1b4r s VAL 66 CO 0.06 -0.09 0.31 0.42 0.00 0.00 0.00 175.10 175.80 1b4r s THR 67 N -0.78 0.10 0.08 3.92 -4.23 -1.09 0.24 115.64 113.87 1b4r s THR 67 Ca -0.02 -0.81 -0.15 0.00 -1.18 0.00 0.00 61.69 59.53 1b4r s THR 67 Cb -0.07 -1.19 0.03 0.00 1.34 0.00 0.00 72.50 72.62 1b4r s THR 67 CO 0.00 -0.45 0.36 0.00 -0.54 0.00 0.00 174.62 174.00 1b4r s ALA 68 N -3.59 -0.83 -0.25 3.99 0.00 -0.53 0.31 121.76 120.87 1b4r s ALA 68 Ca 0.02 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.98 1b4r s ALA 68 Cb 0.02 0.48 0.13 0.00 0.00 0.00 0.00 23.12 23.76 1b4r s ALA 68 CO -0.10 -0.52 0.35 0.54 0.00 0.00 0.00 175.76 176.03 1b4r s VAL 69 N -3.13 -0.55 0.28 0.00 0.11 0.69 0.52 120.40 118.32 1b4r s VAL 69 Ca -0.01 -0.13 -0.11 0.00 -2.93 0.00 0.00 61.98 58.80 1b4r s VAL 69 Cb 0.01 -0.82 -0.07 0.00 -1.53 0.00 0.00 36.38 33.96 1b4r s VAL 69 CO -0.07 -0.18 0.62 -0.76 -3.33 0.00 0.00 175.10 171.39 1b4r s LEU 70 N 2.50 4.09 -0.11 2.54 1.43 -0.11 -0.44 118.68 128.58 1b4r s LEU 70 Ca 0.11 1.01 -0.01 0.00 -1.03 0.00 0.00 54.13 54.22 1b4r s LEU 70 Cb -0.15 -3.81 0.03 0.00 0.03 0.00 0.00 46.19 42.29 1b4r s LEU 70 CO -0.18 -0.16 -0.06 0.00 0.23 0.00 0.00 176.35 176.18 1b4r s ALA 71 N -1.96 1.24 -0.38 4.21 0.00 -0.62 -2.94 121.76 121.31 1b4r s ALA 71 Ca 0.49 -0.50 0.11 0.00 0.00 0.00 0.00 51.96 52.07 1b4r s ALA 71 Cb -0.11 -0.90 -0.14 0.00 0.00 0.00 0.00 23.12 21.97 1b4r s ALA 71 CO 0.22 -0.45 0.42 1.28 0.00 0.00 0.00 175.76 177.24 1b4r n LEU 72 N 4.97 0.38 0.00 0.00 4.77 -0.13 -4.20 117.00 122.79 1b4r n LEU 72 Ca -0.12 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 1b4r n LEU 72 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1b4r n LEU 72 CO 0.16 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1b4r n GLY 73 N 1.44 3.11 0.11 -0.72 0.00 -1.26 -4.63 105.19 103.24 1b4r n GLY 73 Ca 0.01 -0.87 0.03 0.00 0.00 0.00 0.00 46.02 45.19 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 2.71 -2.79 4.61 0.00 -1.26 -5.03 120.51 118.75 1b4r n ALA 74 Ca 0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 53.44 53.02 1b4r n ALA 74 Cb 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.24 -0.07 0.22 0.00 0.00 -1.26 -5.18 107.32 99.80 1b4r s GLY 75 Ca 0.05 -0.31 -0.12 0.00 0.00 0.00 0.00 44.72 44.34 1b4r s GLY 75 CO 0.20 -0.52 0.43 -1.35 0.00 0.00 0.00 173.10 171.85 1b4r s SER 76 N -2.66 -0.07 -0.04 1.64 1.04 -1.26 -0.96 113.70 111.38 1b4r s SER 76 Ca 0.02 -0.88 -0.02 0.00 0.48 0.00 0.00 55.95 55.55 1b4r s SER 76 Cb 0.03 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.72 1b4r s SER 76 CO -0.10 -1.06 0.08 0.00 0.98 0.00 0.00 173.24 173.14 1b4r s ALA 77 N -4.00 -0.11 0.01 5.32 0.00 -1.15 -4.84 121.76 116.99 1b4r s ALA 77 Ca 0.21 0.41 -0.01 0.00 0.00 0.00 0.00 51.96 52.57 1b4r s ALA 77 Cb 0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1b4r s ALA 77 CO 0.06 -0.11 0.15 -0.51 0.00 0.00 0.00 175.76 175.35 1b4r s LEU 78 N 0.84 4.18 0.13 0.00 1.02 -1.26 -0.93 118.68 122.66 1b4r s LEU 78 Ca -0.07 0.24 0.03 0.00 0.02 0.00 0.00 54.13 54.36 1b4r s LEU 78 Cb -0.09 -2.57 -0.04 0.00 0.02 0.00 0.00 46.19 43.50 1b4r s LEU 78 CO -0.03 0.24 -0.09 -0.22 0.02 0.00 0.00 176.35 176.27 1b4r s LEU 79 N -2.04 2.52 -0.36 1.79 1.98 0.18 -3.16 118.68 119.59 1b4r s LEU 79 Ca 0.28 -1.01 -0.02 0.00 -2.89 0.00 0.00 54.13 50.48 1b4r s LEU 79 Cb -0.12 -0.24 0.19 0.00 0.66 0.00 0.00 46.19 46.68 1b4r s LEU 79 CO 0.19 -0.39 0.89 -0.83 -1.89 0.00 0.00 176.35 174.32 1b4r s GLY 80 N -3.12 -1.46 0.50 7.98 0.00 -1.25 -1.46 107.32 108.51 1b4r s GLY 80 Ca 0.15 0.78 0.06 0.00 0.00 0.00 0.00 44.72 45.71 1b4r s GLY 80 CO -0.01 4.05 0.31 -0.51 0.00 0.00 0.00 173.10 176.94 1b4r s THR 81 N 1.81 1.85 0.20 0.90 -4.23 0.14 -4.92 115.64 111.39 1b4r s THR 81 Ca 0.16 -1.57 0.11 0.00 -1.18 0.00 0.00 61.69 59.20 1b4r s THR 81 Cb 0.01 -2.42 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 1b4r s THR 81 CO -0.11 0.00 -0.18 -0.62 -0.54 0.00 0.00 174.62 173.17 1b4r s ASP 82 N -4.14 3.77 0.01 3.99 2.15 -1.26 0.03 116.67 121.22 1b4r s ASP 82 Ca 0.34 -0.79 0.02 0.00 0.43 0.00 0.00 52.55 52.55 1b4r s ASP 82 Cb -0.01 -0.44 -0.01 0.00 -0.30 0.00 0.00 42.92 42.16 1b4r s ASP 82 CO 0.20 0.10 -0.08 -0.69 -0.17 0.00 0.00 175.17 174.53 1b4r s VAL 83 N -1.83 0.58 -0.27 1.11 1.01 -0.23 -4.85 120.40 115.92 1b4r s VAL 83 Ca 0.24 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 1b4r s VAL 83 Cb -0.08 -0.54 0.08 0.00 0.00 0.00 0.00 36.38 35.85 1b4r s VAL 83 CO 0.13 -0.02 0.06 -1.10 0.00 0.00 0.00 175.10 174.17 1b4r s GLN 84 N -0.66 0.81 -0.17 2.72 -0.21 -1.26 -0.43 119.66 120.46 1b4r s GLN 84 Ca -0.01 -0.89 -0.08 0.00 0.02 0.00 0.00 55.36 54.40 1b4r s GLN 84 Cb -0.05 -2.10 -0.04 0.00 1.00 0.00 0.00 33.01 31.81 1b4r s GLN 84 CO 0.00 -0.84 0.09 0.08 -2.12 0.00 0.00 175.29 172.49 1b4r s VAL 85 N 1.65 5.02 0.00 1.09 1.01 0.48 -4.40 120.40 125.25 1b4r s VAL 85 Ca 0.05 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1b4r s VAL 85 Cb -0.17 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1b4r s VAL 85 CO -0.18 0.49 0.00 -0.62 0.00 0.00 0.00 175.10 174.79 1b4r n GLU 86 N 3.20 2.93 0.00 2.72 4.71 -0.27 0.12 120.64 134.04 1b4r n GLU 86 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.98 1b4r n GLU 86 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.96 1b4r n GLU 86 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22