#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xbl s LYS 3 N 0.00 3.70 -0.13 0.00 -2.85 -1.26 -5.09 119.74 114.10 1xbl s LYS 3 Ca 0.00 0.97 -0.10 0.00 -1.00 0.00 0.00 55.97 55.84 1xbl s LYS 3 Cb 0.00 -2.10 0.04 0.00 -2.06 0.00 0.00 37.83 33.72 1xbl s LYS 3 CO 0.00 -0.48 0.34 -1.14 0.10 0.00 0.00 175.35 174.17 1xbl s GLN 4 N -4.31 0.36 0.78 1.78 2.00 -1.26 -5.15 119.66 113.85 1xbl s GLN 4 Ca 0.59 0.56 -0.11 0.00 -2.00 0.00 0.00 55.36 54.40 1xbl s GLN 4 Cb -0.12 0.08 0.06 0.00 0.80 0.00 0.00 33.01 33.84 1xbl s GLN 4 CO 0.38 -0.10 1.10 0.34 -0.50 0.00 0.00 175.29 176.51 1xbl s ASP 5 N 0.67 4.68 -0.42 6.67 -1.08 -1.26 -5.02 116.67 120.92 1xbl s ASP 5 Ca -0.04 1.27 0.09 0.00 -0.52 0.00 0.00 52.55 53.35 1xbl s ASP 5 Cb -0.05 -2.02 0.28 0.00 -1.46 0.00 0.00 42.92 39.67 1xbl s ASP 5 CO -0.04 -1.84 0.61 -1.22 0.52 0.00 0.00 175.17 173.19 1xbl n TYR 6 N -3.35 0.38 0.01 -5.34 4.01 -1.26 -4.86 117.16 106.75 1xbl n TYR 6 Ca 0.07 -3.70 0.00 0.00 -0.16 0.00 0.00 57.90 54.11 1xbl n TYR 6 Cb 0.56 -0.40 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 1xbl n TYR 6 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 1xbl n TYR 7 N 1.01 -0.12 0.21 -0.72 0.18 -1.26 -4.76 117.16 111.70 1xbl n TYR 7 Ca 0.23 0.02 0.09 0.00 1.88 0.00 0.00 57.90 60.13 1xbl n TYR 7 Cb 0.54 0.23 0.43 0.00 -0.38 0.00 0.00 39.34 40.16 1xbl n TYR 7 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 1xbl h GLU 8 N 0.00 0.00 -0.90 -3.48 4.81 -1.89 0.22 114.58 113.34 1xbl h GLU 8 Ca 0.00 0.00 0.25 0.00 -0.13 0.00 0.00 59.36 59.48 1xbl h GLU 8 Cb 0.49 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.72 1xbl h GLU 8 CO 0.00 0.25 0.23 0.82 -0.73 0.00 0.00 179.01 179.58 1xbl h ILE 9 N 0.00 0.26 0.07 2.32 2.04 -1.89 -1.68 117.51 118.64 1xbl h ILE 9 Ca -0.00 -0.06 -0.32 0.00 1.00 0.00 0.00 64.86 65.48 1xbl h ILE 9 Cb 0.79 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1xbl h ILE 9 CO 0.03 0.03 -1.75 0.17 0.00 0.00 0.00 178.15 176.64 1xbl h LEU 10 N 0.17 0.24 0.00 1.44 -0.00 -1.23 -3.48 115.31 112.46 1xbl h LEU 10 Ca 0.57 -0.47 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1xbl h LEU 10 Cb 1.19 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 1xbl h LEU 10 CO -0.69 1.41 0.00 0.61 -0.00 0.00 0.00 178.44 179.77 1xbl n GLY 11 N 1.73 0.58 3.64 0.17 0.00 0.53 -4.56 105.19 107.28 1xbl n GLY 11 Ca -0.22 -0.66 -0.07 0.00 0.00 0.00 0.00 46.02 45.08 1xbl n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xbl s VAL 12 N 0.00 0.00 1.01 1.61 0.11 -1.25 -4.63 120.40 117.26 1xbl s VAL 12 Ca 0.00 -0.40 -0.11 0.00 -2.93 0.00 0.00 61.98 58.54 1xbl s VAL 12 Cb 0.00 -1.53 0.19 0.00 -1.53 0.00 0.00 36.38 33.52 1xbl s VAL 12 CO 0.00 0.00 1.06 -0.24 -3.33 0.00 0.00 175.10 172.59 1xbl n SER 13 N -0.38 -0.50 0.11 3.54 2.88 -1.26 -4.37 113.62 113.64 1xbl n SER 13 Ca -0.08 0.21 -0.06 0.00 -1.33 0.00 0.00 58.87 57.61 1xbl n SER 13 Cb 0.61 -1.39 -0.03 0.00 -0.75 0.00 0.00 64.21 62.65 1xbl n SER 13 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1xbl h LYS 14 N -2.17 -0.33 -0.95 -1.46 6.56 -2.02 -3.17 116.57 113.03 1xbl h LYS 14 Ca -0.50 0.02 -0.58 0.00 -1.06 0.00 0.00 60.65 58.53 1xbl h LYS 14 Cb 1.29 0.08 -0.40 0.00 -0.57 0.00 0.00 32.23 32.63 1xbl h LYS 14 CO 0.43 -0.22 -0.48 0.25 -2.06 0.00 0.00 179.45 177.37 1xbl n THR 15 N -3.28 2.71 -1.19 -0.16 -2.24 -1.26 -4.77 114.28 104.09 1xbl n THR 15 Ca -0.04 -4.14 -0.35 0.00 -2.27 0.00 0.00 64.05 57.25 1xbl n THR 15 Cb 0.15 -1.17 0.09 0.00 -2.10 0.00 0.00 70.33 67.31 1xbl n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xbl n ALA 16 N -0.70 -1.18 -1.73 6.98 0.00 -1.20 -4.95 120.51 117.73 1xbl n ALA 16 Ca 0.46 -0.30 -0.39 0.00 0.00 0.00 0.00 53.44 53.22 1xbl n ALA 16 Cb 0.85 -1.96 0.04 0.00 0.00 0.00 0.00 19.45 18.38 1xbl n ALA 16 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1xbl n GLU 17 N -1.48 1.70 0.10 0.00 0.00 -1.26 -4.85 120.64 114.84 1xbl n GLU 17 Ca 0.11 0.62 0.20 0.00 0.00 0.00 0.00 57.16 58.08 1xbl n GLU 17 Cb 0.50 -2.52 0.76 0.00 0.00 0.00 0.00 31.44 30.18 1xbl n GLU 17 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1xbl h GLU 18 N 1.50 0.00 0.26 5.31 5.08 -1.93 -2.20 114.58 122.60 1xbl h GLU 18 Ca -0.50 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.86 1xbl h GLU 18 Cb 1.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 1xbl h GLU 18 CO 0.57 0.00 -0.34 0.00 -1.00 0.00 0.00 179.01 178.25 1xbl h ARG 19 N 0.00 -0.63 -0.27 2.33 2.47 -1.98 0.16 114.38 116.47 1xbl h ARG 19 Ca 0.18 0.04 -0.13 0.00 -1.26 0.00 0.00 59.98 58.82 1xbl h ARG 19 Cb 0.95 0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.40 1xbl h ARG 19 CO -0.00 -0.42 -0.37 1.49 0.56 0.00 0.00 179.97 181.23 1xbl h GLU 20 N -0.65 0.61 -0.67 0.04 4.81 -1.77 -1.01 114.58 115.95 1xbl h GLU 20 Ca -0.00 -0.29 0.10 0.00 -0.13 0.00 0.00 59.36 59.04 1xbl h GLU 20 Cb 0.62 -0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.92 1xbl h GLU 20 CO -0.11 0.88 0.28 0.82 -0.73 0.00 0.00 179.01 180.15 1xbl h ILE 21 N 0.51 0.78 -0.35 2.32 1.08 -1.39 0.38 117.51 120.83 1xbl h ILE 21 Ca 0.05 -0.16 -0.16 0.00 -0.39 0.00 0.00 64.86 64.19 1xbl h ILE 21 Cb 0.87 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 34.87 1xbl h ILE 21 CO 0.07 0.09 -0.42 -0.09 -0.69 0.00 0.00 178.15 177.11 1xbl h ARG 22 N 0.48 0.90 -0.20 2.37 2.43 0.50 -0.54 114.38 120.32 1xbl h ARG 22 Ca 0.34 -0.49 0.06 0.00 -0.81 0.00 0.00 59.98 59.07 1xbl h ARG 22 Cb 0.41 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.93 1xbl h ARG 22 CO -0.31 1.14 -0.24 0.87 -1.51 0.00 0.00 179.97 179.92 1xbl h LYS 23 N 0.72 -0.26 -0.12 0.20 6.56 -0.64 -0.08 116.57 122.96 1xbl h LYS 23 Ca 0.05 0.02 0.03 0.00 -1.06 0.00 0.00 60.65 59.69 1xbl h LYS 23 Cb 1.01 0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.70 1xbl h LYS 23 CO 0.10 -0.17 -0.06 0.00 -2.06 0.00 0.00 179.45 177.25 1xbl h ALA 24 N 0.73 0.04 -0.12 3.86 0.00 -0.37 0.55 119.26 123.95 1xbl h ALA 24 Ca 0.12 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1xbl h ALA 24 Cb 0.46 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1xbl h ALA 24 CO -0.35 -0.52 -0.18 -0.92 0.00 0.00 0.00 179.25 177.28 1xbl h TYR 25 N -0.06 -0.46 -0.60 0.00 5.03 -0.97 -0.56 116.97 119.35 1xbl h TYR 25 Ca 0.07 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.43 1xbl h TYR 25 Cb 0.16 0.22 -0.04 0.00 1.55 0.00 0.00 36.73 38.62 1xbl h TYR 25 CO -0.19 -0.25 0.36 1.57 -1.32 0.00 0.00 178.16 178.33 1xbl h LYS 26 N -0.23 0.68 -0.11 1.82 5.09 -0.18 0.36 116.57 124.01 1xbl h LYS 26 Ca 0.09 -0.04 -0.00 0.00 0.09 0.00 0.00 60.65 60.79 1xbl h LYS 26 Cb 0.37 -0.15 -0.01 0.00 0.10 0.00 0.00 32.23 32.54 1xbl h LYS 26 CO -0.26 0.45 0.05 -0.09 -2.09 0.00 0.00 179.45 177.52 1xbl h ARG 27 N 0.70 0.16 -0.63 0.07 2.43 -0.59 -1.55 114.38 114.97 1xbl h ARG 27 Ca 0.25 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.33 1xbl h ARG 27 Cb 0.05 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1xbl h ARG 27 CO -0.11 0.23 0.16 -0.07 -1.51 0.00 0.00 179.97 178.67 1xbl h LEU 28 N 0.05 0.91 -0.54 3.80 3.38 -0.72 -1.66 115.31 120.53 1xbl h LEU 28 Ca 0.04 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1xbl h LEU 28 Cb 0.13 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1xbl h LEU 28 CO -0.00 0.88 0.35 0.00 0.09 0.00 0.00 178.44 179.76 1xbl h ALA 29 N 1.24 0.69 -0.42 1.53 0.00 0.09 0.55 119.26 122.94 1xbl h ALA 29 Ca 0.20 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1xbl h ALA 29 Cb 0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1xbl h ALA 29 CO -0.00 0.12 -0.24 0.00 0.00 0.00 0.00 179.25 179.12 1xbl h MET 30 N 0.72 0.86 -0.27 0.00 -0.00 -1.22 -1.33 114.93 113.70 1xbl h MET 30 Ca 0.20 -0.37 0.05 0.00 -0.00 0.00 0.00 59.70 59.59 1xbl h MET 30 Cb -0.07 -0.03 -0.05 0.00 -0.00 0.00 0.00 31.60 31.45 1xbl h MET 30 CO -0.05 1.01 -0.04 -0.22 -0.00 0.00 0.00 176.91 177.61 1xbl h LYS 31 N 0.74 0.03 -1.10 -0.10 3.64 -0.15 -2.48 116.57 117.15 1xbl h LYS 31 Ca 0.10 -0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.83 1xbl h LYS 31 Cb 0.78 -0.01 -0.34 0.00 -0.41 0.00 0.00 32.23 32.25 1xbl h LYS 31 CO 0.06 0.02 0.23 0.66 -2.27 0.00 0.00 179.45 178.15 1xbl n TYR 32 N -5.20 3.07 -1.53 1.91 4.02 0.03 -5.02 117.16 114.44 1xbl n TYR 32 Ca -0.01 -2.69 -0.52 0.00 -0.01 0.00 0.00 57.90 54.67 1xbl n TYR 32 Cb 0.15 -0.95 -0.07 0.00 -0.02 0.00 0.00 39.34 38.45 1xbl n TYR 32 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 1xbl n HIS 33 N -0.77 1.79 -2.43 -0.72 -0.00 -0.50 -4.86 115.22 107.73 1xbl n HIS 33 Ca 0.54 0.31 -0.43 0.00 0.46 0.00 0.00 57.72 58.60 1xbl n HIS 33 Cb 0.70 -2.53 -0.02 0.00 -0.12 0.00 0.00 29.99 28.02 1xbl n HIS 33 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1xbl s PRO 34 N 5.35 3.81 0.00 1.57 0.04 -1.26 -4.77 135.00 139.74 1xbl s PRO 34 Ca 1.05 1.08 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1xbl s PRO 34 Cb -0.90 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 29.72 1xbl s PRO 34 CO 0.54 -1.26 0.00 -0.40 0.04 0.00 0.00 177.00 175.91 1xbl n ASP 35 N 7.95 0.00 -1.91 6.66 5.75 -1.26 -4.92 116.55 128.82 1xbl n ASP 35 Ca 0.15 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.80 1xbl n ASP 35 Cb 0.47 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.53 1xbl n ASP 35 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1xbl n ARG 36 N -0.20 1.72 -1.75 0.11 0.00 -1.26 -4.72 116.66 110.56 1xbl n ARG 36 Ca 0.00 -1.15 -0.37 0.00 -0.00 0.00 0.00 57.85 56.33 1xbl n ARG 36 Cb 0.00 -1.60 -0.02 0.00 -0.00 0.00 0.00 32.46 30.83 1xbl n ARG 36 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1xbl n ASN 37 N 1.18 7.91 -4.69 2.89 5.15 -1.26 -4.87 115.26 121.57 1xbl n ASN 37 Ca 0.27 -3.00 -0.32 0.00 -0.60 0.00 0.00 54.58 50.94 1xbl n ASN 37 Cb 0.61 -1.39 -0.08 0.00 -0.53 0.00 0.00 39.78 38.39 1xbl n ASN 37 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xbl s GLN 38 N -0.43 2.71 0.00 1.20 -2.07 -1.26 -4.49 119.66 115.32 1xbl s GLN 38 Ca 0.59 -0.70 0.00 0.00 -1.82 0.00 0.00 55.36 53.43 1xbl s GLN 38 Cb 0.21 -2.63 0.00 0.00 -1.09 0.00 0.00 33.01 29.51 1xbl s GLN 38 CO -0.10 0.59 0.00 0.41 -1.32 0.00 0.00 175.29 174.87 1xbl n GLY 39 N 1.04 1.63 0.00 2.60 0.00 -1.26 -4.70 105.19 104.50 1xbl n GLY 39 Ca -0.13 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1xbl n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xbl n ASP 40 N 2.52 0.00 0.00 1.61 -0.08 -1.26 -4.82 116.55 114.52 1xbl n ASP 40 Ca 0.00 0.91 0.00 0.00 -1.51 0.00 0.00 54.79 54.19 1xbl n ASP 40 Cb 0.00 -0.41 0.00 0.00 2.34 0.00 0.00 41.12 43.05 1xbl n ASP 40 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1xbl n LYS 41 N -2.02 0.00 -0.04 -0.67 4.81 -1.26 -4.64 118.16 114.34 1xbl n LYS 41 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1xbl n LYS 41 Cb 0.00 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.10 1xbl n LYS 41 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1xbl h GLU 42 N 0.00 0.69 -0.94 1.64 4.11 -1.96 -3.26 114.58 114.86 1xbl h GLU 42 Ca 0.00 -0.37 0.15 0.00 0.07 0.00 0.00 59.36 59.21 1xbl h GLU 42 Cb 0.00 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.17 1xbl h GLU 42 CO 0.00 0.99 0.55 0.00 0.07 0.00 0.00 179.01 180.61 1xbl h ALA 43 N 0.96 1.47 -0.05 1.06 0.00 -1.96 0.19 119.26 120.93 1xbl h ALA 43 Ca 0.04 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1xbl h ALA 43 Cb 0.97 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1xbl h ALA 43 CO 0.09 0.01 -0.08 1.49 0.00 0.00 0.00 179.25 180.76 1xbl h GLU 44 N 0.78 -0.12 -0.55 0.00 4.57 -1.92 0.13 114.58 117.47 1xbl h GLU 44 Ca 0.51 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.71 1xbl h GLU 44 Cb 0.68 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.26 1xbl h GLU 44 CO -0.34 -0.08 0.34 0.00 -1.18 0.00 0.00 179.01 177.76 1xbl h ALA 45 N 0.91 0.70 -0.39 2.92 0.00 -0.88 0.15 119.26 122.67 1xbl h ALA 45 Ca 0.05 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1xbl h ALA 45 Cb 0.19 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1xbl h ALA 45 CO -0.12 0.08 -0.04 -0.22 0.00 0.00 0.00 179.25 178.96 1xbl h LYS 46 N 0.69 0.06 -0.94 0.00 3.64 -0.47 -0.23 116.57 119.32 1xbl h LYS 46 Ca 0.21 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.68 1xbl h LYS 46 Cb -0.02 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.71 1xbl h LYS 46 CO -0.07 0.04 0.58 0.35 -2.27 0.00 0.00 179.45 178.08 1xbl h PHE 47 N 0.06 1.07 -0.35 1.91 3.04 0.30 -1.77 116.94 121.19 1xbl h PHE 47 Ca 0.19 0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.20 1xbl h PHE 47 Cb 0.28 -0.34 -0.03 0.00 2.56 0.00 0.00 35.95 38.41 1xbl h PHE 47 CO -0.29 0.48 0.16 0.87 -2.02 0.00 0.00 178.31 177.50 1xbl h LYS 48 N 0.99 0.32 -0.04 1.11 1.57 0.80 0.15 116.57 121.46 1xbl h LYS 48 Ca 0.44 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.22 1xbl h LYS 48 Cb 0.33 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1xbl h LYS 48 CO -0.23 0.21 -0.06 0.93 -0.57 0.00 0.00 179.45 179.74 1xbl h GLU 49 N 0.33 -0.08 -0.89 3.15 5.08 -0.76 0.48 114.58 121.88 1xbl h GLU 49 Ca 0.15 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.58 1xbl h GLU 49 Cb 0.09 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 1xbl h GLU 49 CO -0.12 -0.05 0.56 0.82 -1.00 0.00 0.00 179.01 179.21 1xbl h ILE 50 N -0.08 1.07 -0.07 3.13 2.04 -0.87 0.24 117.51 122.96 1xbl h ILE 50 Ca 0.04 -0.35 -0.20 0.00 1.00 0.00 0.00 64.86 65.34 1xbl h ILE 50 Cb 0.14 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.16 1xbl h ILE 50 CO -0.09 0.19 -0.79 0.50 0.00 0.00 0.00 178.15 177.96 1xbl h LYS 51 N 1.03 0.46 -0.01 2.37 3.64 -0.25 -1.16 116.57 122.65 1xbl h LYS 51 Ca 0.38 -0.41 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1xbl h LYS 51 Cb 0.15 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1xbl h LYS 51 CO -0.17 1.05 0.01 1.49 -2.27 0.00 0.00 179.45 179.56 1xbl h GLU 52 N 0.30 0.02 -0.44 1.90 4.57 0.52 0.49 114.58 121.94 1xbl h GLU 52 Ca -0.05 -0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.22 1xbl h GLU 52 Cb 1.39 -0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.89 1xbl h GLU 52 CO 0.14 0.14 -0.06 0.00 -1.18 0.00 0.00 179.01 178.05 1xbl h ALA 53 N 0.88 0.35 -0.06 2.92 0.00 -0.93 0.19 119.26 122.60 1xbl h ALA 53 Ca 0.00 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1xbl h ALA 53 Cb 0.13 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xbl h ALA 53 CO -0.00 -0.43 0.05 -0.92 0.00 0.00 0.00 179.25 177.95 1xbl h TYR 54 N 0.04 0.00 0.11 0.00 3.20 -0.55 0.22 116.97 120.00 1xbl h TYR 54 Ca 0.22 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 1xbl h TYR 54 Cb 0.33 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1xbl h TYR 54 CO -0.34 0.00 -0.05 1.49 -1.64 0.00 0.00 178.16 177.61 1xbl h GLU 55 N 0.00 -0.14 0.00 1.82 4.81 0.11 -3.29 114.58 117.90 1xbl h GLU 55 Ca 0.03 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1xbl h GLU 55 Cb 0.12 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1xbl h GLU 55 CO -0.00 -0.10 -0.00 0.28 -0.73 0.00 0.00 179.01 178.46 1xbl h VAL 56 N -0.34 1.15 0.00 0.32 2.07 -0.46 -0.11 116.25 118.86 1xbl h VAL 56 Ca -0.02 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1xbl h VAL 56 Cb 0.12 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1xbl h VAL 56 CO 0.03 0.11 0.00 0.18 0.02 0.00 0.00 177.57 177.91 1xbl n LEU 57 N -5.00 0.00 -0.97 2.57 4.77 0.77 -0.65 117.00 118.49 1xbl n LEU 57 Ca -0.08 0.48 -0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1xbl n LEU 57 Cb 0.12 -0.48 0.21 0.00 -2.33 0.00 0.00 43.42 40.93 1xbl n LEU 57 CO 0.33 -0.31 0.64 0.35 -1.33 0.00 0.00 177.39 177.07 1xbl n THR 58 N -1.48 2.42 -3.48 -5.08 -2.24 -0.14 -4.76 114.28 99.53 1xbl n THR 58 Ca 0.03 -2.68 -0.24 0.00 -2.27 0.00 0.00 64.05 58.88 1xbl n THR 58 Cb 0.12 -0.29 -0.13 0.00 -2.10 0.00 0.00 70.33 67.93 1xbl n THR 58 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xbl s ASP 59 N -2.59 2.74 0.48 3.42 2.15 0.18 -4.98 116.67 118.07 1xbl s ASP 59 Ca 0.42 -1.22 0.38 0.00 0.43 0.00 0.00 52.55 52.56 1xbl s ASP 59 Cb 0.38 -0.02 1.58 0.00 -0.30 0.00 0.00 42.92 44.56 1xbl s ASP 59 CO 0.00 -0.40 1.58 0.28 -0.17 0.00 0.00 175.17 176.46 1xbl h SER 60 N 8.14 0.13 0.36 -0.34 0.02 -1.91 0.19 113.55 120.14 1xbl h SER 60 Ca -0.14 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1xbl h SER 60 Cb 1.03 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1xbl h SER 60 CO 0.37 -0.17 -0.17 -0.61 -1.14 0.00 0.00 176.83 175.11 1xbl h GLN 61 N 0.01 -0.46 -0.70 3.45 4.15 -1.95 -0.42 115.11 119.18 1xbl h GLN 61 Ca 0.90 0.03 -0.07 0.00 0.77 0.00 0.00 58.65 60.28 1xbl h GLN 61 Cb 3.14 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 30.91 1xbl h GLN 61 CO -0.32 -0.31 0.17 0.87 -1.93 0.00 0.00 178.83 177.32 1xbl h LYS 62 N -0.65 1.12 -0.33 1.69 6.56 -1.78 -3.10 116.57 120.06 1xbl h LYS 62 Ca -0.05 -0.27 0.06 0.00 -1.06 0.00 0.00 60.65 59.34 1xbl h LYS 62 Cb 0.37 -0.15 -0.06 0.00 -0.57 0.00 0.00 32.23 31.82 1xbl h LYS 62 CO 0.08 0.99 -0.04 -0.09 -2.06 0.00 0.00 179.45 178.33 1xbl h ARG 63 N 1.05 0.05 0.26 3.15 1.12 -0.64 0.12 114.38 119.51 1xbl h ARG 63 Ca 0.22 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 59.07 1xbl h ARG 63 Cb 0.37 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.32 1xbl h ARG 63 CO 0.00 0.03 -0.13 0.00 -3.11 0.00 0.00 179.97 176.77 1xbl h ALA 64 N 1.31 -0.36 -0.66 2.80 0.00 -1.05 0.32 119.26 121.63 1xbl h ALA 64 Ca 0.16 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1xbl h ALA 64 Cb 0.23 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1xbl h ALA 64 CO -0.30 -0.63 0.29 0.00 0.00 0.00 0.00 179.25 178.61 1xbl h ALA 65 N 0.21 0.88 -0.28 0.00 0.00 -1.39 0.95 119.26 119.62 1xbl h ALA 65 Ca -0.04 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1xbl h ALA 65 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1xbl h ALA 65 CO 0.06 -0.12 -0.42 -0.92 0.00 0.00 0.00 179.25 177.85 1xbl h TYR 66 N 0.50 0.84 0.05 0.00 5.03 -0.59 -1.77 116.97 121.04 1xbl h TYR 66 Ca 0.33 -0.25 -0.00 0.00 2.58 0.00 0.00 58.73 61.38 1xbl h TYR 66 Cb 0.38 -0.18 -0.00 0.00 1.55 0.00 0.00 36.73 38.48 1xbl h TYR 66 CO -0.14 1.00 -0.04 0.22 -1.32 0.00 0.00 178.16 177.89 1xbl h ASP 67 N 0.57 -0.09 -0.55 -2.11 3.58 0.53 0.59 116.42 118.94 1xbl h ASP 67 Ca 0.04 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.53 1xbl h ASP 67 Cb 0.96 0.03 -0.04 0.00 1.72 0.00 0.00 39.33 42.00 1xbl h ASP 67 CO 0.09 -0.06 0.31 1.56 -2.88 0.00 0.00 179.24 178.26 1xbl h GLN 68 N -0.09 0.59 0.00 0.28 4.20 -0.57 -3.32 115.11 116.20 1xbl h GLN 68 Ca -0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1xbl h GLN 68 Cb 0.08 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1xbl h GLN 68 CO 0.00 0.39 0.00 0.66 -0.67 0.00 0.00 178.83 179.21 1xbl n TYR 69 N -4.81 0.00 -2.70 2.96 4.01 -0.69 -4.98 117.16 110.95 1xbl n TYR 69 Ca 0.05 -0.08 -0.18 0.00 -0.16 0.00 0.00 57.90 57.52 1xbl n TYR 69 Cb 0.11 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 1xbl n TYR 69 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xbl n GLY 70 N -0.08 -0.50 0.49 2.72 0.00 0.21 -4.51 105.19 103.51 1xbl n GLY 70 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1xbl n GLY 70 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1xbl n HIS 71 N -3.86 -0.61 -1.65 1.61 -0.00 -1.25 -4.60 115.22 104.87 1xbl n HIS 71 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.58 1xbl n HIS 71 Cb 0.62 0.12 0.00 0.00 -0.00 0.00 0.00 29.99 30.73 1xbl n HIS 71 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1xbl n ALA 72 N -1.32 0.37 -4.06 1.57 0.00 -1.26 -4.56 120.51 111.25 1xbl n ALA 72 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1xbl n ALA 72 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1xbl n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xbl n ALA 73 N 0.00 -1.20 -3.95 0.00 0.00 -1.24 -0.62 120.51 113.50 1xbl n ALA 73 Ca 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 53.44 53.10 1xbl n ALA 73 Cb 0.30 -3.10 0.00 0.00 0.00 0.00 0.00 19.45 16.65 1xbl n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xbl n PHE 74 N -4.17 -0.93 0.89 0.00 3.72 -1.26 -4.81 117.46 110.89 1xbl n PHE 74 Ca 0.07 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 1xbl n PHE 74 Cb 0.49 -1.92 0.00 0.00 -0.94 0.00 0.00 39.48 37.11 1xbl n PHE 74 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1xbl n GLU 75 N -3.78 0.69 0.00 -1.08 0.00 0.21 -5.28 120.64 111.40 1xbl n GLU 75 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.06 1xbl n GLU 75 Cb 0.41 -1.25 0.00 0.00 0.00 0.00 0.00 31.44 30.60 1xbl n GLU 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17