#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wri n LEU 5 N 0.00 0.36 -0.82 -3.43 -0.00 -1.26 -4.74 117.00 107.10 2wri n LEU 5 Ca 0.00 0.28 0.10 0.00 -0.00 0.00 0.00 56.01 56.39 2wri n LEU 5 Cb 0.00 -0.78 0.11 0.00 -0.00 0.00 0.00 43.42 42.75 2wri n LEU 5 CO 0.00 -0.62 0.58 2.29 -0.00 0.00 0.00 177.39 179.64 2wri n LYS 6 N 6.97 1.85 -3.42 1.96 0.00 -1.26 -4.62 118.16 119.65 2wri n LYS 6 Ca 0.53 -1.78 -0.26 0.00 -0.00 0.00 0.00 58.31 56.80 2wri n LYS 6 Cb 0.01 -1.39 -0.09 0.00 -0.00 0.00 0.00 35.03 33.56 2wri n LYS 6 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2wri n LYS 7 N 1.11 0.90 0.00 -1.58 4.01 -1.26 -5.07 118.16 116.28 2wri n LYS 7 Ca 0.13 -3.59 0.00 0.00 -0.51 0.00 0.00 58.31 54.34 2wri n LYS 7 Cb 0.49 -1.71 0.00 0.00 -0.51 0.00 0.00 35.03 33.31 2wri n LYS 7 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2wri n GLY 8 N 2.02 0.63 0.41 0.72 0.00 -1.26 -4.92 105.19 102.79 2wri n GLY 8 Ca 0.26 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2wri n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wri n VAL 9 N 4.48 0.00 -0.63 1.61 0.31 -1.26 -4.96 118.33 117.87 2wri n VAL 9 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wri n VAL 9 Cb 0.00 0.30 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 2wri n VAL 9 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 2wri n PHE 10 N 0.00 0.00 -2.34 3.52 -1.74 -1.26 -4.08 117.46 111.56 2wri n PHE 10 Ca 0.00 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.46 2wri n PHE 10 Cb 0.58 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.56 2wri n PHE 10 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 2wri s VAL 11 N -0.22 3.88 -0.43 1.97 0.11 -1.26 -4.71 120.40 119.73 2wri s VAL 11 Ca 0.00 0.89 -0.46 0.00 -2.93 0.00 0.00 61.98 59.48 2wri s VAL 11 Cb 0.00 -4.19 -0.20 0.00 -1.53 0.00 0.00 36.38 30.47 2wri s VAL 11 CO 0.00 -0.76 1.57 0.47 -3.33 0.00 0.00 175.10 173.06 2wri n ASP 12 N 8.92 1.24 -0.15 3.54 10.43 -1.26 -4.86 116.55 134.42 2wri n ASP 12 Ca 0.17 1.18 -0.05 0.00 2.57 0.00 0.00 54.79 58.65 2wri n ASP 12 Cb 0.48 -0.91 0.14 0.00 1.84 0.00 0.00 41.12 42.66 2wri n ASP 12 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 2wri h ASP 13 N 5.08 0.84 0.00 -2.24 3.32 -2.00 -2.71 116.42 118.71 2wri h ASP 13 Ca -0.45 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.41 2wri h ASP 13 Cb 1.37 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2wri h ASP 13 CO 0.95 0.87 0.00 0.00 -1.72 0.00 0.00 179.24 179.34 2wri n HIS 14 N -4.23 0.00 -0.03 4.55 1.44 -1.26 -1.13 115.22 114.56 2wri n HIS 14 Ca 0.03 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.67 2wri n HIS 14 Cb 0.28 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.36 2wri n HIS 14 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2wri n LEU 15 N -0.66 1.15 0.02 2.39 7.99 -1.02 -4.09 117.00 122.78 2wri n LEU 15 Ca 0.00 0.18 0.11 0.00 -0.01 0.00 0.00 56.01 56.30 2wri n LEU 15 Cb 0.00 -0.43 0.56 0.00 -0.11 0.00 0.00 43.42 43.44 2wri n LEU 15 CO 0.00 -0.18 1.16 -0.07 -1.51 0.00 0.00 177.39 176.78 2wri h LEU 16 N -0.41 0.23 0.46 2.23 4.07 -1.21 1.48 115.31 122.17 2wri h LEU 16 Ca -0.14 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.80 2wri h LEU 16 Cb 0.81 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.50 2wri h LEU 16 CO -0.08 0.15 -0.22 -0.08 -1.08 0.00 0.00 178.44 177.12 2wri h GLU 17 N 0.26 -0.60 0.00 1.13 4.81 -1.38 0.61 114.58 119.42 2wri h GLU 17 Ca 0.19 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2wri h GLU 17 Cb 0.43 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2wri h GLU 17 CO -0.04 -0.30 0.00 1.17 -0.73 0.00 0.00 179.01 179.11 2wri n LYS 18 N -5.25 0.33 -0.11 1.92 3.00 -0.38 -1.70 118.16 115.97 2wri n LYS 18 Ca -0.11 0.09 -0.16 0.00 -0.00 0.00 0.00 58.31 58.13 2wri n LYS 18 Cb 0.30 -1.50 -0.10 0.00 0.00 0.00 0.00 35.03 33.73 2wri n LYS 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2wri n VAL 19 N -1.19 1.25 0.31 3.15 0.31 0.49 -4.27 118.33 118.38 2wri n VAL 19 Ca 0.09 -0.46 0.12 0.00 -0.01 0.00 0.00 64.34 64.08 2wri n VAL 19 Cb 0.10 -1.32 0.11 0.00 -0.91 0.00 0.00 33.84 31.82 2wri n VAL 19 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2wri h LEU 20 N -0.08 0.00 -0.10 7.52 3.38 0.33 -2.73 115.31 123.63 2wri h LEU 20 Ca -0.50 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2wri h LEU 20 Cb 1.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 2wri h LEU 20 CO -0.10 0.03 0.00 1.05 0.09 0.00 0.00 178.44 179.51 2wri h GLU 21 N 0.00 0.00 -0.34 1.13 4.11 -1.51 -1.92 114.58 116.06 2wri h GLU 21 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 2wri h GLU 21 Cb 0.90 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.10 2wri h GLU 21 CO 0.00 0.00 0.01 1.28 0.07 0.00 0.00 179.01 180.37 2wri n LEU 22 N -2.33 4.17 -0.01 3.06 7.99 -1.16 -4.12 117.00 124.61 2wri n LEU 22 Ca 0.05 -3.27 0.02 0.00 -0.01 0.00 0.00 56.01 52.80 2wri n LEU 22 Cb 0.41 -0.59 -0.05 0.00 -0.11 0.00 0.00 43.42 43.08 2wri n LEU 22 CO 0.29 0.86 -0.59 -3.20 -1.51 0.00 0.00 177.39 173.24 2wri n ASN 23 N -0.69 3.58 -4.51 -1.43 5.15 -0.74 -3.20 115.26 113.41 2wri n ASN 23 Ca 0.27 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.82 2wri n ASN 23 Cb 0.99 1.19 -0.00 0.00 -0.53 0.00 0.00 39.78 41.43 2wri n ASN 23 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wri s ALA 24 N -2.39 3.67 0.00 5.20 0.00 -1.12 -2.90 121.76 124.22 2wri s ALA 24 Ca -0.02 -3.13 0.00 0.00 0.00 0.00 0.00 51.96 48.80 2wri s ALA 24 Cb 0.04 -4.35 0.00 0.00 0.00 0.00 0.00 23.12 18.81 2wri s ALA 24 CO 0.26 -3.02 0.00 1.63 0.00 0.00 0.00 175.76 174.63 2wri n LYS 25 N 6.89 0.00 -1.82 0.00 5.02 -1.26 -4.85 118.16 122.14 2wri n LYS 25 Ca 0.41 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 2wri n LYS 25 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 2wri n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wri n GLY 26 N -1.69 0.00 0.00 0.72 0.00 -1.14 -4.91 105.19 98.16 2wri n GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wri n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wri n GLU 27 N -0.34 0.00 0.00 1.61 4.71 -1.25 -4.97 120.64 120.41 2wri n GLU 27 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2wri n GLU 27 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 2wri n GLU 27 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2wri n LYS 28 N 0.00 2.77 0.00 3.49 4.76 -1.26 -5.02 118.16 122.90 2wri n LYS 28 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wri n LYS 28 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2wri n LYS 28 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2wri n ARG 29 N 0.00 0.00 -0.43 1.97 -4.01 -1.26 -4.89 116.66 108.05 2wri n ARG 29 Ca 0.00 0.00 -0.13 0.00 -1.04 0.00 0.00 57.85 56.68 2wri n ARG 29 Cb 0.00 0.00 -0.01 0.00 -3.04 0.00 0.00 32.46 29.41 2wri n ARG 29 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 2wri n LEU 30 N 0.00 2.76 -4.42 2.89 0.00 -1.26 -4.17 117.00 112.79 2wri n LEU 30 Ca 0.00 -2.07 -0.44 0.00 0.00 0.00 0.00 56.01 53.50 2wri n LEU 30 Cb 0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 43.42 42.55 2wri n LEU 30 CO 0.00 -0.23 0.75 -0.51 0.00 0.00 0.00 177.39 177.40 2wri s ILE 31 N 4.16 4.75 -0.77 1.96 2.07 -1.25 -4.99 121.20 127.12 2wri s ILE 31 Ca 0.23 -1.27 -0.26 0.00 -1.41 0.00 0.00 60.65 57.94 2wri s ILE 31 Cb 0.06 -4.67 0.03 0.00 0.13 0.00 0.00 42.46 38.01 2wri s ILE 31 CO -0.01 -1.37 1.37 -0.54 -1.91 0.00 0.00 174.94 172.48 2wri s LYS 32 N 2.74 3.19 0.45 3.50 1.02 -1.26 -1.89 119.74 127.49 2wri s LYS 32 Ca 0.24 -0.29 0.08 0.00 0.02 0.00 0.00 55.97 56.02 2wri s LYS 32 Cb -0.12 -4.39 0.00 0.00 -0.52 0.00 0.00 37.83 32.80 2wri s LYS 32 CO -0.02 -2.24 0.46 -0.08 -0.92 0.00 0.00 175.35 172.55 2wri s THR 33 N 6.02 2.55 0.00 2.17 -1.32 -1.26 -4.95 115.64 118.85 2wri s THR 33 Ca 0.40 -1.26 0.00 0.00 -1.21 0.00 0.00 61.69 59.62 2wri s THR 33 Cb -0.07 -2.81 0.00 0.00 -1.51 0.00 0.00 72.50 68.11 2wri s THR 33 CO 0.11 0.00 0.00 0.79 -2.21 0.00 0.00 174.62 173.31 2wri n TRP 34 N -1.70 0.00 -1.32 9.09 8.01 -1.26 -3.01 117.44 127.26 2wri n TRP 34 Ca 0.05 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.86 2wri n TRP 34 Cb 0.62 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.89 2wri n TRP 34 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 2wri n SER 35 N -0.69 5.36 0.07 -0.99 3.41 -1.26 -4.54 113.62 114.98 2wri n SER 35 Ca 0.00 -2.63 0.05 0.00 -0.26 0.00 0.00 58.87 56.03 2wri n SER 35 Cb 0.00 -1.43 0.28 0.00 -0.26 0.00 0.00 64.21 62.80 2wri n SER 35 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2wri n ARG 36 N 5.12 0.07 0.00 4.33 1.85 -1.26 -1.13 116.66 125.64 2wri n ARG 36 Ca 0.59 0.54 0.14 0.00 -1.00 0.00 0.00 57.85 58.12 2wri n ARG 36 Cb 0.29 -1.71 0.65 0.00 -1.05 0.00 0.00 32.46 30.65 2wri n ARG 36 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2wri n ARG 37 N -1.85 0.69 -3.60 2.89 1.85 -1.26 -1.57 116.66 113.81 2wri n ARG 37 Ca -0.00 -0.20 -0.37 0.00 -1.00 0.00 0.00 57.85 56.28 2wri n ARG 37 Cb 0.03 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 29.89 2wri n ARG 37 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2wri s SER 38 N -2.45 6.61 0.52 2.89 1.04 -0.28 -4.92 113.70 117.11 2wri s SER 38 Ca 0.30 0.73 -0.21 0.00 0.48 0.00 0.00 55.95 57.25 2wri s SER 38 Cb 0.20 -2.19 -0.08 0.00 0.10 0.00 0.00 66.02 64.05 2wri s SER 38 CO 0.46 0.28 0.89 0.41 0.98 0.00 0.00 173.24 176.26 2wri n THR 39 N 2.35 2.90 -2.24 2.02 -1.04 -1.26 -3.19 114.28 113.82 2wri n THR 39 Ca -0.15 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 60.94 2wri n THR 39 Cb 0.53 -1.05 -0.02 0.00 -1.82 0.00 0.00 70.33 67.96 2wri n THR 39 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2wri s ILE 40 N -1.46 3.96 -0.41 12.58 1.01 -0.99 -4.84 121.20 131.05 2wri s ILE 40 Ca 0.69 1.15 -0.31 0.00 0.00 0.00 0.00 60.65 62.18 2wri s ILE 40 Cb -0.48 -3.77 -0.14 0.00 0.01 0.00 0.00 42.46 38.08 2wri s ILE 40 CO 0.52 -0.13 1.62 1.33 0.00 0.00 0.00 174.94 178.28 2wri n VAL 41 N 5.53 0.00 0.00 2.92 0.24 -1.26 -4.56 118.33 121.20 2wri n VAL 41 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 2wri n VAL 41 Cb 0.44 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.44 2wri n VAL 41 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 2wri n PRO 42 N 5.58 0.00 0.00 7.34 -0.02 -1.26 -3.69 135.00 142.95 2wri n PRO 42 Ca 0.41 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2wri n PRO 42 Cb -0.02 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 2wri n PRO 42 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2wri n GLU 43 N -0.40 0.00 -1.52 -0.52 1.02 -1.26 -5.08 120.64 112.88 2wri n GLU 43 Ca 0.00 0.00 -0.61 0.00 -0.02 0.00 0.00 57.16 56.53 2wri n GLU 43 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 2wri n GLU 43 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2wri n MET 44 N -1.95 0.34 -4.69 3.49 2.81 -1.24 -4.95 117.12 110.92 2wri n MET 44 Ca 0.00 0.11 -0.31 0.00 -1.81 0.00 0.00 57.70 55.70 2wri n MET 44 Cb 0.00 -1.73 -0.09 0.00 -0.71 0.00 0.00 33.22 30.69 2wri n MET 44 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2wri s VAL 45 N 4.77 1.35 0.00 2.03 -7.23 -1.26 -4.77 120.40 115.28 2wri s VAL 45 Ca 1.10 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 2wri s VAL 45 Cb -1.34 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 33.16 2wri s VAL 45 CO 0.69 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.09 2wri n GLY 46 N -1.13 0.47 3.52 2.32 0.00 -0.45 -4.82 105.19 105.10 2wri n GLY 46 Ca -0.14 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 2wri n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wri n HIS 47 N 0.00 0.44 -1.71 1.61 -0.00 -1.26 -4.40 115.22 109.90 2wri n HIS 47 Ca 0.00 -0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.29 2wri n HIS 47 Cb 0.00 -1.31 -0.03 0.00 -0.00 0.00 0.00 29.99 28.65 2wri n HIS 47 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2wri n THR 48 N 6.75 0.08 -4.50 1.59 -2.24 -1.26 -4.48 114.28 110.21 2wri n THR 48 Ca 0.60 -0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 62.03 2wri n THR 48 Cb 0.25 -1.91 -0.15 0.00 -2.10 0.00 0.00 70.33 66.41 2wri n THR 48 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2wri s ILE 49 N 1.04 2.74 0.00 2.28 1.01 0.98 -3.93 121.20 125.32 2wri s ILE 49 Ca 0.75 -0.75 -0.00 0.00 0.00 0.00 0.00 60.65 60.65 2wri s ILE 49 Cb -0.53 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 2wri s ILE 49 CO 0.34 0.51 0.98 0.00 0.00 0.00 0.00 174.94 176.77 2wri n ALA 50 N 4.07 2.64 -1.33 9.38 0.00 -0.79 -2.51 120.51 131.97 2wri n ALA 50 Ca -0.19 -0.12 -0.53 0.00 0.00 0.00 0.00 53.44 52.60 2wri n ALA 50 Cb 0.52 -1.70 -0.08 0.00 0.00 0.00 0.00 19.45 18.18 2wri n ALA 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wri n VAL 51 N 1.96 0.00 -2.53 0.00 0.31 -1.25 -3.55 118.33 113.27 2wri n VAL 51 Ca 0.03 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.05 2wri n VAL 51 Cb 0.23 -0.40 -0.03 0.00 -0.91 0.00 0.00 33.84 32.74 2wri n VAL 51 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2wri s TYR 52 N 2.74 3.48 -0.41 3.52 5.04 -1.16 -0.85 117.35 129.70 2wri s TYR 52 Ca 0.85 1.28 0.08 0.00 -2.44 0.00 0.00 57.07 56.84 2wri s TYR 52 Cb -1.19 -2.65 0.27 0.00 0.35 0.00 0.00 41.96 38.74 2wri s TYR 52 CO 0.63 -0.30 0.66 0.27 -1.34 0.00 0.00 175.55 175.47 2wri n ASN 53 N -1.59 -0.45 0.00 4.32 0.23 -1.20 -4.84 115.26 111.73 2wri n ASN 53 Ca 0.05 -2.92 0.00 0.00 -0.53 0.00 0.00 54.58 51.18 2wri n ASN 53 Cb 0.54 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 2wri n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wri n GLY 54 N 1.21 0.01 0.02 4.83 0.00 -1.26 -4.29 105.19 105.71 2wri n GLY 54 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2wri n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wri n LYS 55 N 0.00 0.00 -4.10 1.61 3.00 -1.26 -5.11 118.16 112.31 2wri n LYS 55 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.22 2wri n LYS 55 Cb 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 35.03 34.80 2wri n LYS 55 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 2wri s GLN 56 N -0.28 0.88 -0.43 1.64 -2.07 -1.26 -5.11 119.66 113.03 2wri s GLN 56 Ca 0.00 -1.33 -0.28 0.00 -1.82 0.00 0.00 55.36 51.92 2wri s GLN 56 Cb 0.00 0.26 -0.00 0.00 -1.09 0.00 0.00 33.01 32.17 2wri s GLN 56 CO 0.00 -0.25 1.60 -1.01 -1.32 0.00 0.00 175.29 174.31 2wri s HIS 57 N -4.00 2.08 -0.86 9.60 3.76 -1.26 -3.24 115.29 121.37 2wri s HIS 57 Ca 0.19 0.64 -0.25 0.00 -0.15 0.00 0.00 55.06 55.48 2wri s HIS 57 Cb 0.07 -4.23 0.04 0.00 1.11 0.00 0.00 32.58 29.56 2wri s HIS 57 CO -0.02 -2.37 1.38 0.14 -0.85 0.00 0.00 174.74 173.02 2wri s VAL 58 N 6.46 3.79 -0.70 -0.90 -7.23 -0.03 -4.85 120.40 116.94 2wri s VAL 58 Ca 0.67 -0.12 -0.28 0.00 -1.81 0.00 0.00 61.98 60.44 2wri s VAL 58 Cb -0.16 -4.94 -0.13 0.00 0.56 0.00 0.00 36.38 31.70 2wri s VAL 58 CO 0.31 -1.86 2.53 -0.81 -0.31 0.00 0.00 175.10 174.96 2wri n PRO 59 N 9.15 0.61 -4.70 4.82 -0.04 -1.26 -3.76 135.00 139.82 2wri n PRO 59 Ca 0.17 0.01 -0.32 0.00 -0.04 0.00 0.00 63.50 63.32 2wri n PRO 59 Cb 0.50 -2.60 -0.17 0.00 -0.04 0.00 0.00 33.50 31.20 2wri n PRO 59 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wri s VAL 60 N 10.70 1.93 0.00 0.52 0.11 -1.05 -4.95 120.40 127.67 2wri s VAL 60 Ca 1.14 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 59.29 2wri s VAL 60 Cb -0.66 -1.71 0.00 0.00 -1.53 0.00 0.00 36.38 32.48 2wri s VAL 60 CO 0.37 0.53 0.00 0.00 -3.33 0.00 0.00 175.10 172.66 2wri n TYR 61 N 4.02 -1.14 -2.74 1.54 9.36 -1.26 -0.01 117.16 126.92 2wri n TYR 61 Ca -0.20 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 60.95 2wri n TYR 61 Cb 0.52 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 39.27 2wri n TYR 61 CO 0.00 0.00 0.00 1.51 0.22 0.00 0.00 176.86 178.59 2wri n ILE 62 N -1.88 0.00 0.00 2.97 0.13 -1.26 -4.31 119.36 115.01 2wri n ILE 62 Ca 0.00 -1.31 0.00 0.00 -1.10 0.00 0.00 62.75 60.34 2wri n ILE 62 Cb 0.00 1.35 0.00 0.00 -0.84 0.00 0.00 39.64 40.15 2wri n ILE 62 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 2wri n THR 63 N 1.91 0.00 -0.06 9.51 -2.24 -1.26 -1.34 114.28 120.79 2wri n THR 63 Ca 0.10 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.66 2wri n THR 63 Cb 0.62 -0.20 -0.13 0.00 -2.10 0.00 0.00 70.33 68.53 2wri n THR 63 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2wri n GLU 64 N 0.00 0.67 -0.32 -0.78 2.13 -1.26 -4.55 120.64 116.53 2wri n GLU 64 Ca 0.00 0.33 -0.03 0.00 0.66 0.00 0.00 57.16 58.12 2wri n GLU 64 Cb 0.00 -1.67 0.02 0.00 0.27 0.00 0.00 31.44 30.07 2wri n GLU 64 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 2wri h ASN 65 N -0.36 -1.40 -0.60 4.31 2.35 -2.04 -3.34 115.58 114.51 2wri h ASN 65 Ca -0.46 0.28 -0.23 0.00 -0.55 0.00 0.00 56.30 55.35 2wri h ASN 65 Cb 1.76 0.71 -0.04 0.00 0.05 0.00 0.00 38.32 40.81 2wri h ASN 65 CO -0.08 -0.29 0.59 0.00 -1.65 0.00 0.00 177.43 175.99 2wri s MET 66 N -5.93 2.30 -0.10 0.81 0.23 -1.26 -4.75 119.30 110.60 2wri s MET 66 Ca -0.14 -0.20 -0.09 0.00 -1.03 0.00 0.00 55.69 54.23 2wri s MET 66 Cb 0.18 -5.02 -0.03 0.00 -1.53 0.00 0.00 34.83 28.44 2wri s MET 66 CO 0.70 -3.73 -0.17 0.28 -2.03 0.00 0.00 175.02 170.07 2wri n VAL 67 N 8.11 0.92 0.05 5.16 0.31 -1.26 -4.76 118.33 126.86 2wri n VAL 67 Ca 0.42 0.29 -0.20 0.00 -0.01 0.00 0.00 64.34 64.85 2wri n VAL 67 Cb 0.46 -2.05 -0.13 0.00 -0.91 0.00 0.00 33.84 31.21 2wri n VAL 67 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2wri h GLY 68 N -0.63 0.45 -4.30 2.92 0.00 -1.85 -3.28 103.07 96.38 2wri h GLY 68 Ca 0.00 -1.00 -0.58 0.00 0.00 0.00 0.00 47.33 45.76 2wri h GLY 68 CO 0.00 0.88 -0.40 1.42 0.00 0.00 0.00 176.54 178.44 2wri n HIS 69 N -4.07 -0.32 -2.59 5.60 -0.00 -1.26 -3.38 115.22 109.20 2wri n HIS 69 Ca -0.13 0.83 -0.38 0.00 -0.00 0.00 0.00 57.72 58.04 2wri n HIS 69 Cb 0.82 -1.66 -0.05 0.00 -0.00 0.00 0.00 29.99 29.10 2wri n HIS 69 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2wri s LYS 70 N -0.76 4.45 0.24 -0.41 -0.14 -1.26 -2.35 119.74 119.50 2wri s LYS 70 Ca 0.56 1.56 -0.15 0.00 -1.36 0.00 0.00 55.97 56.58 2wri s LYS 70 Cb -0.81 -2.85 0.28 0.00 -1.68 0.00 0.00 37.83 32.78 2wri s LYS 70 CO 0.47 0.11 1.57 -0.07 -0.76 0.00 0.00 175.35 176.67 2wri h LEU 71 N 3.16 -1.15 -0.98 3.17 3.38 -1.53 0.25 115.31 121.62 2wri h LEU 71 Ca -0.47 0.28 0.31 0.00 0.09 0.00 0.00 57.88 58.08 2wri h LEU 71 Cb 1.21 0.65 -0.18 0.00 0.09 0.00 0.00 40.66 42.43 2wri h LEU 71 CO 0.65 -0.30 0.20 1.23 0.09 0.00 0.00 178.44 180.31 2wri h GLY 72 N -0.03 1.55 0.60 0.83 0.00 -1.60 0.29 103.07 104.71 2wri h GLY 72 Ca 0.36 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2wri h GLY 72 CO -0.91 -0.57 0.11 1.18 0.00 0.00 0.00 176.54 176.35 2wri n GLU 73 N -5.38 0.00 -2.30 4.80 1.02 0.89 0.39 120.64 120.05 2wri n GLU 73 Ca 0.27 0.08 -0.16 0.00 -0.02 0.00 0.00 57.16 57.34 2wri n GLU 73 Cb 0.89 -1.61 0.03 0.00 -0.02 0.00 0.00 31.44 30.73 2wri n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2wri n PHE 74 N -0.91 2.25 -2.71 -0.32 3.72 0.10 -4.82 117.46 114.76 2wri n PHE 74 Ca 0.00 -2.20 -0.07 0.00 -0.05 0.00 0.00 57.45 55.13 2wri n PHE 74 Cb 0.11 -0.30 0.08 0.00 -0.94 0.00 0.00 39.48 38.43 2wri n PHE 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wri n ALA 75 N -0.67 -1.72 -1.49 4.37 0.00 0.16 -4.90 120.51 116.26 2wri n ALA 75 Ca 0.31 -1.11 -0.54 0.00 0.00 0.00 0.00 53.44 52.10 2wri n ALA 75 Cb 0.91 -1.82 -0.06 0.00 0.00 0.00 0.00 19.45 18.49 2wri n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wri n PRO 76 N 0.86 0.27 0.02 0.00 -0.04 -1.26 -4.85 135.00 130.01 2wri n PRO 76 Ca 0.04 0.10 -0.08 0.00 -0.04 0.00 0.00 63.50 63.51 2wri n PRO 76 Cb 0.69 -1.47 -0.13 0.00 -0.04 0.00 0.00 33.50 32.55 2wri n PRO 76 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2wri h THR 77 N 2.42 1.28 -3.08 0.52 1.35 -1.93 -3.47 112.91 110.00 2wri h THR 77 Ca -0.43 -3.05 -0.56 0.00 -0.55 0.00 0.00 66.41 61.82 2wri h THR 77 Cb 1.41 2.64 -0.03 0.00 -1.73 0.00 0.00 68.15 70.45 2wri h THR 77 CO 0.64 0.74 -0.30 -0.13 -0.25 0.00 0.00 175.52 176.22 2wri s ARG 78 N -2.65 3.59 0.43 4.72 0.52 -1.26 -4.99 118.95 119.30 2wri s ARG 78 Ca -0.02 -0.15 -0.01 0.00 -0.52 0.00 0.00 55.73 55.03 2wri s ARG 78 Cb 0.09 -2.82 -0.02 0.00 0.52 0.00 0.00 34.95 32.72 2wri s ARG 78 CO 0.82 0.42 0.66 0.99 0.02 0.00 0.00 175.30 178.22 2wri s THR 79 N -1.77 4.43 -0.99 0.02 2.01 -1.26 -4.55 115.64 113.54 2wri s THR 79 Ca 0.41 -0.37 -0.09 0.00 0.31 0.00 0.00 61.69 61.95 2wri s THR 79 Cb -0.12 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 2wri s THR 79 CO 0.26 -0.48 0.80 0.00 -0.69 0.00 0.00 174.62 174.51 2wri n TYR 80 N -2.04 -2.36 -0.39 4.92 9.36 -1.26 -4.99 117.16 120.40 2wri n TYR 80 Ca -0.00 0.78 0.00 0.00 3.32 0.00 0.00 57.90 62.00 2wri n TYR 80 Cb 0.57 -3.76 0.00 0.00 -0.63 0.00 0.00 39.34 35.52 2wri n TYR 80 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2wri n ARG 81 N -3.16 -1.17 0.00 2.98 5.12 -1.26 -5.27 116.66 113.90 2wri n ARG 81 Ca -0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 2wri n ARG 81 Cb 0.59 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.89 2wri n ARG 81 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11