#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xbl n LYS 3 N 0.00 0.48 -2.16 0.00 2.85 -1.26 -4.92 118.16 113.16 1xbl n LYS 3 Ca 0.00 0.18 -0.42 0.00 -1.05 0.00 0.00 58.31 57.01 1xbl n LYS 3 Cb 0.00 -1.40 -0.03 0.00 -0.65 0.00 0.00 35.03 32.95 1xbl n LYS 3 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1xbl s GLN 4 N -1.42 4.21 0.81 -1.58 -2.07 -1.26 -5.03 119.66 113.32 1xbl s GLN 4 Ca 0.62 2.01 -0.07 0.00 -1.82 0.00 0.00 55.36 56.10 1xbl s GLN 4 Cb -0.65 -3.85 0.15 0.00 -1.09 0.00 0.00 33.01 27.57 1xbl s GLN 4 CO 0.59 -0.76 1.12 0.34 -1.32 0.00 0.00 175.29 175.26 1xbl s ASP 5 N 2.70 3.89 -0.01 12.60 -1.08 -1.26 -5.07 116.67 128.43 1xbl s ASP 5 Ca 0.66 -0.12 0.01 0.00 -0.52 0.00 0.00 52.55 52.58 1xbl s ASP 5 Cb -0.30 -0.13 -0.01 0.00 -1.46 0.00 0.00 42.92 41.02 1xbl s ASP 5 CO 0.25 -2.19 -0.00 -1.22 0.52 0.00 0.00 175.17 172.53 1xbl n TYR 6 N -3.19 0.00 -0.37 -5.34 4.01 -1.26 -4.55 117.16 106.46 1xbl n TYR 6 Ca 0.15 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.89 1xbl n TYR 6 Cb 0.60 -0.06 0.13 0.00 -0.31 0.00 0.00 39.34 39.71 1xbl n TYR 6 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 1xbl h TYR 7 N 0.00 1.23 -0.01 -0.72 -0.00 -1.92 -1.65 116.97 113.90 1xbl h TYR 7 Ca -0.03 0.03 -0.22 0.00 0.00 0.00 0.00 58.73 58.51 1xbl h TYR 7 Cb 1.07 -0.41 0.00 0.00 0.00 0.00 0.00 36.73 37.39 1xbl h TYR 7 CO 0.00 0.72 -0.91 1.49 -0.00 0.00 0.00 178.16 179.45 1xbl h GLU 8 N 1.27 0.39 -0.46 0.10 4.22 -1.84 -0.34 114.58 117.92 1xbl h GLU 8 Ca 0.39 -0.41 0.09 0.00 0.08 0.00 0.00 59.36 59.51 1xbl h GLU 8 Cb -0.02 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.27 1xbl h GLU 8 CO -0.12 1.08 -0.00 0.82 -2.18 0.00 0.00 179.01 178.61 1xbl h ILE 9 N 0.23 0.64 -0.60 2.32 2.04 -1.69 -1.78 117.51 118.67 1xbl h ILE 9 Ca -0.07 -0.04 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 1xbl h ILE 9 Cb 1.54 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 1xbl h ILE 9 CO 0.16 0.02 0.10 -0.07 0.00 0.00 0.00 178.15 178.35 1xbl h LEU 10 N 0.11 0.95 -0.89 1.44 4.07 -0.58 -3.48 115.31 116.94 1xbl h LEU 10 Ca 0.23 -0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1xbl h LEU 10 Cb 0.34 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.83 1xbl h LEU 10 CO -0.39 0.97 0.00 0.61 -1.08 0.00 0.00 178.44 178.56 1xbl n GLY 11 N -0.55 0.54 3.60 0.83 0.00 -0.20 -5.01 105.19 104.39 1xbl n GLY 11 Ca 0.03 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.30 0.01 0.42 1.61 0.11 -1.19 -5.02 120.40 114.05 1xbl s VAL 12 Ca 0.00 -0.56 -0.25 0.00 -2.93 0.00 0.00 61.98 58.24 1xbl s VAL 12 Cb 0.00 -1.51 -0.10 0.00 -1.53 0.00 0.00 36.38 33.24 1xbl s VAL 12 CO 0.00 -0.03 1.12 -0.24 -3.33 0.00 0.00 175.10 172.62 1xbl n SER 13 N -0.40 1.80 -0.33 3.54 2.88 -1.26 -4.50 113.62 115.35 1xbl n SER 13 Ca -0.11 1.06 0.24 0.00 -1.33 0.00 0.00 58.87 58.74 1xbl n SER 13 Cb 0.62 -1.42 0.48 0.00 -0.75 0.00 0.00 64.21 63.15 1xbl n SER 13 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1xbl h LYS 14 N 1.74 0.25 -0.65 -1.46 2.10 -2.01 -0.27 116.57 116.27 1xbl h LYS 14 Ca -0.46 -0.01 -0.46 0.00 -2.00 0.00 0.00 60.65 57.72 1xbl h LYS 14 Cb 1.32 -0.06 -0.41 0.00 -0.90 0.00 0.00 32.23 32.18 1xbl h LYS 14 CO 0.58 0.16 -0.88 0.25 -2.00 0.00 0.00 179.45 177.56 1xbl n THR 15 N -5.11 2.21 -1.66 0.07 -2.24 -1.26 -4.93 114.28 101.37 1xbl n THR 15 Ca 0.32 -3.87 -0.40 0.00 -2.27 0.00 0.00 64.05 57.83 1xbl n THR 15 Cb 1.02 -0.54 0.03 0.00 -2.10 0.00 0.00 70.33 68.73 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 -0.69 0.70 -1.76 6.98 0.00 -0.12 -4.98 120.51 120.65 1xbl n ALA 16 Ca 0.35 0.15 -0.37 0.00 0.00 0.00 0.00 53.44 53.57 1xbl n ALA 16 Cb 0.93 -2.18 0.02 0.00 0.00 0.00 0.00 19.45 18.21 1xbl n ALA 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1xbl s GLU 17 N -2.45 3.31 0.44 0.00 2.12 -1.26 -4.86 118.70 115.99 1xbl s GLU 17 Ca 0.68 1.86 0.18 0.00 0.36 0.00 0.00 54.97 58.05 1xbl s GLU 17 Cb -0.47 -2.16 1.11 0.00 0.26 0.00 0.00 34.13 32.87 1xbl s GLU 17 CO 0.53 -0.95 1.91 0.93 -0.54 0.00 0.00 175.26 177.14 1xbl h GLU 18 N 1.41 0.35 -0.52 4.30 3.07 -1.93 0.24 114.58 121.49 1xbl h GLU 18 Ca -0.50 -0.02 0.06 0.00 -0.50 0.00 0.00 59.36 58.40 1xbl h GLU 18 Cb 1.28 -0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 29.06 1xbl h GLU 18 CO 0.57 0.23 0.22 0.00 -1.40 0.00 0.00 179.01 178.63 1xbl h ARG 19 N 0.36 0.41 0.00 2.33 2.47 -1.91 0.71 114.38 118.75 1xbl h ARG 19 Ca 0.38 -0.02 -0.18 0.00 -1.26 0.00 0.00 59.98 58.90 1xbl h ARG 19 Cb 0.97 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 29.17 1xbl h ARG 19 CO -0.11 0.27 -0.85 1.49 0.56 0.00 0.00 179.97 181.33 1xbl h GLU 20 N 0.43 0.02 -0.71 0.04 4.81 -0.99 -2.16 114.58 116.01 1xbl h GLU 20 Ca 0.25 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.55 1xbl h GLU 20 Cb 0.23 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.54 1xbl h GLU 20 CO -0.22 0.86 0.35 0.82 -0.73 0.00 0.00 179.01 180.09 1xbl h ILE 21 N 0.01 0.84 -0.28 2.32 1.08 -0.49 0.24 117.51 121.22 1xbl h ILE 21 Ca -0.01 -0.20 0.06 0.00 -0.39 0.00 0.00 64.86 64.31 1xbl h ILE 21 Cb 1.50 0.19 -0.05 0.00 -3.07 0.00 0.00 36.82 35.39 1xbl h ILE 21 CO 0.11 0.11 -0.08 -0.09 -0.69 0.00 0.00 178.15 177.51 1xbl h ARG 22 N 0.59 -0.01 -0.30 2.37 9.65 -0.25 0.90 114.38 127.33 1xbl h ARG 22 Ca 0.35 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 59.28 1xbl h ARG 22 Cb 0.38 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.91 1xbl h ARG 22 CO -0.27 -0.01 0.03 0.87 2.80 0.00 0.00 179.97 183.39 1xbl h LYS 23 N -0.01 0.12 -0.03 0.20 6.56 -0.90 -0.68 116.57 121.83 1xbl h LYS 23 Ca 0.14 -0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.75 1xbl h LYS 23 Cb 0.22 -0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 31.81 1xbl h LYS 23 CO -0.30 0.08 -0.21 0.00 -2.06 0.00 0.00 179.45 176.96 1xbl h ALA 24 N 1.25 -0.25 -0.28 3.86 0.00 0.41 0.79 119.26 125.04 1xbl h ALA 24 Ca 0.14 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1xbl h ALA 24 Cb 0.18 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1xbl h ALA 24 CO -0.22 -0.70 -0.10 -0.92 0.00 0.00 0.00 179.25 177.31 1xbl h TYR 25 N -0.32 -0.23 -0.40 0.00 5.03 -0.64 0.16 116.97 120.57 1xbl h TYR 25 Ca 0.07 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.40 1xbl h TYR 25 Cb 0.41 0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.82 1xbl h TYR 25 CO -0.27 -0.16 0.22 1.57 -1.32 0.00 0.00 178.16 178.20 1xbl h LYS 26 N -0.05 0.55 -0.56 1.82 2.10 -0.64 0.48 116.57 120.27 1xbl h LYS 26 Ca 0.14 -0.07 0.01 0.00 -2.00 0.00 0.00 60.65 58.74 1xbl h LYS 26 Cb 0.26 -0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 31.45 1xbl h LYS 26 CO -0.32 0.45 0.36 0.00 -2.00 0.00 0.00 179.45 177.95 1xbl h ARG 27 N 0.51 0.71 0.36 0.07 3.08 -0.35 -2.13 114.38 116.63 1xbl h ARG 27 Ca 0.14 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1xbl h ARG 27 Cb 0.06 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 1xbl h ARG 27 CO -0.02 0.47 -0.20 -0.07 -1.07 0.00 0.00 179.97 179.08 1xbl h LEU 28 N 0.74 -0.50 -0.31 3.04 3.38 -0.31 -2.54 115.31 118.80 1xbl h LEU 28 Ca 0.21 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.27 1xbl h LEU 28 Cb -0.06 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1xbl h LEU 28 CO -0.06 -0.33 -0.06 0.00 0.09 0.00 0.00 178.44 178.07 1xbl h ALA 29 N 0.10 0.22 0.00 1.53 0.00 -0.62 -0.65 119.26 119.84 1xbl h ALA 29 Ca -0.04 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xbl h ALA 29 Cb 0.43 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1xbl h ALA 29 CO 0.05 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 178.85 1xbl h MET 30 N 0.02 0.00 0.76 0.00 -0.00 -1.33 0.67 114.93 115.04 1xbl h MET 30 Ca 0.15 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.81 1xbl h MET 30 Cb 0.22 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.83 1xbl h MET 30 CO -0.31 0.00 -0.36 0.87 -0.00 0.00 0.00 176.91 177.11 1xbl h LYS 31 N 0.00 -0.98 -0.01 -0.10 1.57 -0.66 -3.29 116.57 113.09 1xbl h LYS 31 Ca 0.00 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1xbl h LYS 31 Cb 0.30 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1xbl h LYS 31 CO 0.00 -0.65 -0.44 2.48 -0.57 0.00 0.00 179.45 180.27 1xbl n TYR 32 N -5.29 0.00 -3.40 -1.35 0.18 -1.23 -5.04 117.16 101.03 1xbl n TYR 32 Ca -0.13 0.00 -0.26 0.00 1.88 0.00 0.00 57.90 59.39 1xbl n TYR 32 Cb 0.40 -0.02 0.02 0.00 -0.38 0.00 0.00 39.34 39.36 1xbl n TYR 32 CO 0.00 0.00 0.00 1.58 -2.08 0.00 0.00 176.86 176.36 1xbl n HIS 33 N -0.10 -2.74 -2.51 -3.48 -0.00 0.23 -4.89 115.22 101.73 1xbl n HIS 33 Ca 0.10 1.12 -0.42 0.00 -0.00 0.00 0.00 57.72 58.52 1xbl n HIS 33 Cb 0.45 -2.69 -0.03 0.00 -0.00 0.00 0.00 29.99 27.73 1xbl n HIS 33 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1xbl s PRO 34 N -3.09 4.41 0.19 1.57 0.04 -1.25 -4.66 135.00 132.20 1xbl s PRO 34 Ca 0.24 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1xbl s PRO 34 Cb -0.03 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 31.02 1xbl s PRO 34 CO 0.85 -0.32 0.00 -3.47 0.04 0.00 0.00 177.00 174.10 1xbl n ASP 35 N 4.64 -1.69 0.00 6.66 -0.08 -1.26 -5.07 116.55 119.75 1xbl n ASP 35 Ca 0.09 0.49 0.00 0.00 -1.51 0.00 0.00 54.79 53.87 1xbl n ASP 35 Cb 0.47 1.79 0.00 0.00 2.34 0.00 0.00 41.12 45.73 1xbl n ASP 35 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1xbl n ARG 36 N -2.86 0.00 -2.89 -0.67 1.85 -1.26 -5.03 116.66 105.80 1xbl n ARG 36 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.65 1xbl n ARG 36 Cb 0.00 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.42 1xbl n ARG 36 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1xbl n ASN 37 N -0.88 -4.95 -3.58 2.89 2.85 -1.26 -4.83 115.26 105.50 1xbl n ASN 37 Ca 0.00 -0.17 -0.40 0.00 -0.11 0.00 0.00 54.58 53.90 1xbl n ASN 37 Cb 0.00 -4.08 -0.02 0.00 1.24 0.00 0.00 39.78 36.93 1xbl n ASN 37 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xbl n GLN 38 N -3.53 2.79 0.03 1.20 0.00 -1.26 -3.23 117.38 113.38 1xbl n GLN 38 Ca -0.11 -2.32 0.00 0.00 0.00 0.00 0.00 57.00 54.57 1xbl n GLN 38 Cb 0.61 -3.07 0.00 0.00 0.00 0.00 0.00 30.24 27.78 1xbl n GLN 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xbl n GLY 39 N 4.03 -0.84 0.00 2.61 0.00 -1.26 -5.05 105.19 104.68 1xbl n GLY 39 Ca 0.57 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 -2.59 0.00 0.00 1.61 -0.08 -1.20 -4.96 116.55 109.33 1xbl n ASP 40 Ca 0.00 0.36 0.00 0.00 -1.51 0.00 0.00 54.79 53.64 1xbl n ASP 40 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 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 -0.41 0.00 -0.22 -0.67 4.81 -1.26 -4.90 118.16 115.51 1xbl n LYS 41 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 1xbl n LYS 41 Cb 0.00 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.18 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 1.04 -0.87 1.64 4.11 -1.97 -1.71 114.58 116.82 1xbl h GLU 42 Ca 0.00 -0.19 0.16 0.00 0.07 0.00 0.00 59.36 59.40 1xbl h GLU 42 Cb 0.00 -0.17 -0.10 0.00 0.50 0.00 0.00 28.75 28.98 1xbl h GLU 42 CO 0.00 0.86 0.45 0.00 0.07 0.00 0.00 179.01 180.39 1xbl h ALA 43 N 1.26 1.34 0.61 1.06 0.00 -1.97 0.24 119.26 121.80 1xbl h ALA 43 Ca 0.23 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1xbl h ALA 43 Cb 0.24 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xbl h ALA 43 CO -0.01 -0.12 -0.29 1.49 0.00 0.00 0.00 179.25 180.31 1xbl h GLU 44 N 0.61 -0.79 -0.67 0.00 4.22 -1.72 0.24 114.58 116.46 1xbl h GLU 44 Ca 0.49 0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.96 1xbl h GLU 44 Cb 0.73 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 1xbl h GLU 44 CO -0.39 -0.52 0.34 0.00 -2.18 0.00 0.00 179.01 176.26 1xbl h ALA 45 N -0.45 0.87 -0.81 2.92 0.00 -1.21 -0.52 119.26 120.07 1xbl h ALA 45 Ca -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1xbl h ALA 45 Cb 0.64 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1xbl h ALA 45 CO 0.14 0.41 0.52 -0.22 0.00 0.00 0.00 179.25 180.10 1xbl h LYS 46 N 0.93 1.07 -0.57 0.00 3.64 -0.39 0.24 116.57 121.48 1xbl h LYS 46 Ca 0.23 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1xbl h LYS 46 Cb 0.09 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 1xbl h LYS 46 CO -0.03 0.72 0.36 0.35 -2.27 0.00 0.00 179.45 178.58 1xbl h PHE 47 N 1.10 0.73 0.00 1.91 3.04 0.11 -0.03 116.94 123.80 1xbl h PHE 47 Ca 0.29 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.26 1xbl h PHE 47 Cb -0.11 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.15 1xbl h PHE 47 CO 0.00 0.47 -0.04 0.87 -2.02 0.00 0.00 178.31 177.60 1xbl h LYS 48 N 0.78 -0.06 -0.10 1.11 1.57 -0.20 0.21 116.57 119.88 1xbl h LYS 48 Ca 0.21 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1xbl h LYS 48 Cb -0.06 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1xbl h LYS 48 CO -0.04 -0.04 -0.09 0.93 -0.57 0.00 0.00 179.45 179.63 1xbl h GLU 49 N -0.06 -0.11 -0.66 3.15 5.08 -1.00 0.11 114.58 121.09 1xbl h GLU 49 Ca 0.01 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1xbl h GLU 49 Cb 0.08 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1xbl h GLU 49 CO -0.04 -0.07 0.30 0.82 -1.00 0.00 0.00 179.01 179.02 1xbl h ILE 50 N -0.11 1.22 -0.07 3.13 2.04 -0.77 0.88 117.51 123.82 1xbl h ILE 50 Ca 0.07 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 1xbl h ILE 50 Cb 0.21 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1xbl h ILE 50 CO -0.17 0.26 -0.00 0.50 0.00 0.00 0.00 178.15 178.74 1xbl h LYS 51 N 0.93 0.13 -0.25 2.37 3.11 -0.06 -0.12 116.57 122.68 1xbl h LYS 51 Ca 0.23 -0.04 0.01 0.00 -2.81 0.00 0.00 60.65 58.03 1xbl h LYS 51 Cb 0.12 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.32 1xbl h LYS 51 CO -0.03 0.40 0.15 1.49 -2.81 0.00 0.00 179.45 178.65 1xbl h GLU 52 N -0.16 0.29 -0.29 1.90 4.81 -0.41 0.10 114.58 120.82 1xbl h GLU 52 Ca 0.02 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1xbl h GLU 52 Cb 0.35 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.58 1xbl h GLU 52 CO 0.00 0.19 -0.29 0.00 -0.73 0.00 0.00 179.01 178.19 1xbl h ALA 53 N 1.11 -0.19 -0.69 2.92 0.00 -0.83 0.14 119.26 121.72 1xbl h ALA 53 Ca 0.10 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.18 1xbl h ALA 53 Cb -0.01 0.61 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 1xbl h ALA 53 CO -0.04 -0.71 0.32 -0.92 0.00 0.00 0.00 179.25 177.89 1xbl h TYR 54 N -0.28 0.57 -0.33 0.00 5.03 -0.16 0.26 116.97 122.06 1xbl h TYR 54 Ca 0.15 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.40 1xbl h TYR 54 Cb 0.51 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.63 1xbl h TYR 54 CO -0.46 0.18 -0.12 1.49 -1.32 0.00 0.00 178.16 177.94 1xbl h GLU 55 N 0.54 0.66 -0.13 1.82 4.81 -0.23 -3.09 114.58 118.97 1xbl h GLU 55 Ca 0.35 -0.27 -0.18 0.00 -0.13 0.00 0.00 59.36 59.12 1xbl h GLU 55 Cb 0.39 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1xbl h GLU 55 CO -0.29 0.85 -0.68 0.28 -0.73 0.00 0.00 179.01 178.44 1xbl h VAL 56 N 0.43 1.34 -0.47 0.32 2.07 -0.37 -3.45 116.25 116.13 1xbl h VAL 56 Ca 0.08 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.60 1xbl h VAL 56 Cb 0.63 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1xbl h VAL 56 CO 0.04 0.61 0.00 0.18 0.02 0.00 0.00 177.57 178.42 1xbl n LEU 57 N -3.89 0.00 0.00 2.57 4.77 0.89 -2.81 117.00 118.52 1xbl n LEU 57 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1xbl n LEU 57 Cb 0.68 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 1xbl n LEU 57 CO 0.48 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.89 1xbl n THR 58 N 0.00 0.00 -4.59 -5.08 -2.24 -1.20 -4.84 114.28 96.33 1xbl n THR 58 Ca 0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 1xbl n THR 58 Cb 0.00 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 1xbl n THR 58 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1xbl s ASP 59 N -0.57 3.46 -0.01 3.42 1.47 -1.26 -4.86 116.67 118.31 1xbl s ASP 59 Ca 0.00 -1.43 0.12 0.00 1.18 0.00 0.00 52.55 52.42 1xbl s ASP 59 Cb 0.00 -0.14 -0.22 0.00 -0.34 0.00 0.00 42.92 42.22 1xbl s ASP 59 CO 0.00 -0.58 0.77 0.28 0.68 0.00 0.00 175.17 176.33 1xbl h SER 60 N 1.80 0.00 0.38 2.11 0.02 -1.90 -3.41 113.55 112.55 1xbl h SER 60 Ca -0.43 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.51 1xbl h SER 60 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1xbl h SER 60 CO 0.76 0.98 -0.21 -0.61 -1.14 0.00 0.00 176.83 176.61 1xbl h GLN 61 N 0.00 -0.52 -0.80 3.45 4.15 -1.95 -1.09 115.11 118.34 1xbl h GLN 61 Ca -0.23 0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.22 1xbl h GLN 61 Cb 1.95 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 29.72 1xbl h GLN 61 CO 0.09 -0.35 0.50 0.87 -1.93 0.00 0.00 178.83 178.01 1xbl h LYS 62 N -0.54 1.08 -0.18 1.69 1.57 -1.82 0.38 116.57 118.75 1xbl h LYS 62 Ca -0.05 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.56 1xbl h LYS 62 Cb 0.43 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1xbl h LYS 62 CO 0.07 0.74 -0.22 -0.09 -0.57 0.00 0.00 179.45 179.38 1xbl h ARG 63 N 1.09 0.46 0.00 3.15 9.65 -1.50 -1.19 114.38 126.04 1xbl h ARG 63 Ca 0.29 -0.26 -0.17 0.00 -1.10 0.00 0.00 59.98 58.74 1xbl h ARG 63 Cb -0.07 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.51 1xbl h ARG 63 CO -0.06 0.84 -0.79 0.00 2.80 0.00 0.00 179.97 182.77 1xbl h ALA 64 N 0.61 0.61 0.03 2.80 0.00 -1.13 -3.28 119.26 118.90 1xbl h ALA 64 Ca 0.02 -0.72 0.02 0.00 0.00 0.00 0.00 54.91 54.24 1xbl h ALA 64 Cb 0.78 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1xbl h ALA 64 CO 0.05 0.98 -0.20 0.00 0.00 0.00 0.00 179.25 180.09 1xbl h ALA 65 N 1.21 -0.27 -0.91 0.00 0.00 -0.02 0.12 119.26 119.40 1xbl h ALA 65 Ca -0.01 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.14 1xbl h ALA 65 Cb 1.47 0.33 -0.16 0.00 0.00 0.00 0.00 17.79 19.44 1xbl h ALA 65 CO 0.10 -0.70 0.12 -0.92 0.00 0.00 0.00 179.25 177.85 1xbl h TYR 66 N -0.33 0.13 -0.13 0.00 5.03 -1.28 0.94 116.97 121.32 1xbl h TYR 66 Ca 0.05 0.06 -0.03 0.00 2.58 0.00 0.00 58.73 61.39 1xbl h TYR 66 Cb 0.39 0.09 -0.00 0.00 1.55 0.00 0.00 36.73 38.76 1xbl h TYR 66 CO -0.23 -0.32 -0.02 0.22 -1.32 0.00 0.00 178.16 176.50 1xbl h ASP 67 N 0.10 0.25 0.00 -2.11 3.58 -1.49 -3.37 116.42 113.37 1xbl h ASP 67 Ca 0.56 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1xbl h ASP 67 Cb 1.14 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.12 1xbl h ASP 67 CO -0.77 0.53 0.00 0.00 -2.88 0.00 0.00 179.24 176.12 1xbl n GLN 68 N -4.75 0.00 -3.03 0.28 6.02 0.11 -4.89 117.38 111.13 1xbl n GLN 68 Ca -0.06 0.09 -0.23 0.00 -0.01 0.00 0.00 57.00 56.79 1xbl n GLN 68 Cb 0.23 -0.42 -0.03 0.00 1.02 0.00 0.00 30.24 31.04 1xbl n GLN 68 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 1xbl n TYR 69 N -1.65 2.40 -1.23 1.08 0.18 0.27 -5.01 117.16 113.20 1xbl n TYR 69 Ca 0.00 -3.90 -0.56 0.00 1.88 0.00 0.00 57.90 55.33 1xbl n TYR 69 Cb 0.00 -0.45 -0.12 0.00 -0.38 0.00 0.00 39.34 38.39 1xbl n TYR 69 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1xbl n GLY 70 N -0.03 -0.19 3.63 -7.48 0.00 0.16 -0.90 105.19 100.39 1xbl n GLY 70 Ca 0.28 1.08 -0.22 0.00 0.00 0.00 0.00 46.02 47.17 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 7.59 -1.98 -0.47 1.61 -0.00 -1.26 -0.19 115.22 120.51 1xbl n HIS 71 Ca 0.54 0.79 0.00 0.00 0.46 0.00 0.00 57.72 59.52 1xbl n HIS 71 Cb -0.03 -4.27 0.00 0.00 -0.12 0.00 0.00 29.99 25.57 1xbl n HIS 71 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1xbl n ALA 72 N -4.14 0.00 -4.11 1.57 0.00 -0.08 -4.26 120.51 109.50 1xbl n ALA 72 Ca -0.25 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.90 1xbl n ALA 72 Cb 0.66 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 19.23 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 0.90 -2.07 -3.52 0.00 0.00 0.73 -0.96 120.51 115.61 1xbl n ALA 73 Ca 0.00 -0.35 -0.22 0.00 0.00 0.00 0.00 53.44 52.87 1xbl n ALA 73 Cb 0.12 -1.33 0.05 0.00 0.00 0.00 0.00 19.45 18.29 1xbl n ALA 73 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xbl n PHE 74 N -4.51 -2.13 -0.72 0.00 -0.00 -1.26 -4.92 117.46 103.92 1xbl n PHE 74 Ca -0.30 0.74 0.07 0.00 -0.00 0.00 0.00 57.45 57.96 1xbl n PHE 74 Cb 0.68 -4.09 0.12 0.00 -0.00 0.00 0.00 39.48 36.20 1xbl n PHE 74 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 1xbl n GLU 75 N -3.87 2.08 0.00 -4.13 4.07 -0.13 -5.22 120.64 113.43 1xbl n GLU 75 Ca -0.16 -2.31 0.00 0.00 -0.06 0.00 0.00 57.16 54.63 1xbl n GLU 75 Cb 0.63 -1.41 0.00 0.00 -0.06 0.00 0.00 31.44 30.60 1xbl n GLU 75 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07