#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 -3.86 -1.86 0.00 2.85 -1.26 -4.79 118.16 109.24 1xbl n LYS 3 Ca 0.00 2.75 -0.38 0.00 -1.05 0.00 0.00 58.31 59.63 1xbl n LYS 3 Cb 0.00 -3.37 -0.03 0.00 -0.65 0.00 0.00 35.03 30.98 1xbl n LYS 3 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1xbl s GLN 4 N -0.40 2.54 0.79 -1.58 0.74 -1.26 -4.96 119.66 115.53 1xbl s GLN 4 Ca 0.00 1.00 -0.10 0.00 0.05 0.00 0.00 55.36 56.31 1xbl s GLN 4 Cb 0.00 -4.43 0.10 0.00 1.10 0.00 0.00 33.01 29.78 1xbl s GLN 4 CO 0.00 -2.81 1.13 0.34 -0.55 0.00 0.00 175.29 173.40 1xbl s ASP 5 N 9.27 4.33 0.10 6.67 -1.08 -1.26 -4.99 116.67 129.71 1xbl s ASP 5 Ca 0.79 0.45 0.00 0.00 -0.52 0.00 0.00 52.55 53.27 1xbl s ASP 5 Cb -0.16 -0.90 0.00 0.00 -1.46 0.00 0.00 42.92 40.40 1xbl s ASP 5 CO 0.24 -1.95 0.00 0.00 0.52 0.00 0.00 175.17 173.99 1xbl n TYR 6 N -3.21 -2.57 -0.02 -5.34 4.11 -1.26 -4.68 117.16 104.19 1xbl n TYR 6 Ca 0.10 0.34 -0.03 0.00 -0.00 0.00 0.00 57.90 58.31 1xbl n TYR 6 Cb 0.60 1.17 0.21 0.00 -0.00 0.00 0.00 39.34 41.32 1xbl n TYR 6 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.86 176.96 1xbl h TYR 7 N 0.00 0.62 0.06 -3.48 -0.00 -1.91 0.54 116.97 112.80 1xbl h TYR 7 Ca 0.00 -0.10 -0.27 0.00 0.00 0.00 0.00 58.73 58.35 1xbl h TYR 7 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 36.73 36.55 1xbl h TYR 7 CO 0.00 0.68 -1.40 1.49 -0.00 0.00 0.00 178.16 178.93 1xbl h GLU 8 N 0.52 0.13 0.35 0.10 4.22 -1.92 0.75 114.58 118.73 1xbl h GLU 8 Ca 0.09 -0.22 -0.00 0.00 0.08 0.00 0.00 59.36 59.31 1xbl h GLU 8 Cb 0.54 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1xbl h GLU 8 CO 0.03 0.96 -0.35 0.82 -2.18 0.00 0.00 179.01 178.29 1xbl h ILE 9 N 0.03 0.27 -0.14 2.32 2.04 -1.83 -2.33 117.51 117.88 1xbl h ILE 9 Ca -0.18 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.59 1xbl h ILE 9 Cb 1.94 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1xbl h ILE 9 CO 0.14 0.00 -0.30 -0.07 0.00 0.00 0.00 178.15 177.92 1xbl h LEU 10 N -0.73 0.27 -2.87 1.44 -0.00 -0.97 -3.47 115.31 108.99 1xbl h LEU 10 Ca -0.02 -0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.75 1xbl h LEU 10 Cb 0.66 -0.07 0.01 0.00 -0.00 0.00 0.00 40.66 41.26 1xbl h LEU 10 CO -0.06 0.57 -0.05 0.61 -0.00 0.00 0.00 178.44 179.50 1xbl n GLY 11 N -0.43 0.76 3.52 0.83 0.00 0.14 -4.77 105.19 105.23 1xbl n GLY 11 Ca -0.01 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.02 0.00 0.75 1.61 0.11 -0.51 -4.98 120.40 114.36 1xbl s VAL 12 Ca 0.02 -1.52 -0.15 0.00 -2.93 0.00 0.00 61.98 57.40 1xbl s VAL 12 Cb -0.00 -2.33 0.02 0.00 -1.53 0.00 0.00 36.38 32.54 1xbl s VAL 12 CO 0.04 0.00 0.98 -0.24 -3.33 0.00 0.00 175.10 172.55 1xbl n SER 13 N -0.54 0.43 -0.31 3.54 2.88 -1.26 -4.69 113.62 113.67 1xbl n SER 13 Ca -0.01 0.63 0.14 0.00 -1.33 0.00 0.00 58.87 58.30 1xbl n SER 13 Cb 0.62 -1.41 0.29 0.00 -0.75 0.00 0.00 64.21 62.96 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 -0.46 0.12 -0.71 -1.46 1.57 -2.01 -1.12 116.57 112.51 1xbl h LYS 14 Ca -0.47 -0.01 -0.31 0.00 -1.87 0.00 0.00 60.65 57.99 1xbl h LYS 14 Cb 1.32 -0.03 -0.35 0.00 0.08 0.00 0.00 32.23 33.26 1xbl h LYS 14 CO 0.46 0.08 -1.01 0.25 -0.57 0.00 0.00 179.45 178.66 1xbl n THR 15 N -5.32 0.84 -1.52 -0.16 -2.24 -1.26 -4.66 114.28 99.95 1xbl n THR 15 Ca 0.22 -2.70 -0.39 0.00 -2.27 0.00 0.00 64.05 58.91 1xbl n THR 15 Cb 0.71 0.84 0.03 0.00 -2.10 0.00 0.00 70.33 69.82 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 -0.30 -0.66 -1.67 6.98 0.00 -0.43 -4.90 120.51 119.53 1xbl n ALA 16 Ca 0.06 0.04 -0.44 0.00 0.00 0.00 0.00 53.44 53.10 1xbl n ALA 16 Cb 0.82 -1.93 -0.01 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.20 1.98 -0.36 0.00 0.00 -1.26 -4.56 120.64 116.25 1xbl n GLU 17 Ca 0.12 0.70 0.06 0.00 0.00 0.00 0.00 57.16 58.03 1xbl n GLU 17 Cb 0.45 -2.27 0.23 0.00 0.00 0.00 0.00 31.44 29.85 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 3.02 1.01 -0.20 5.31 3.07 -1.98 0.18 114.58 124.99 1xbl h GLU 18 Ca -0.45 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.35 1xbl h GLU 18 Cb 1.29 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.96 1xbl h GLU 18 CO 0.67 0.67 0.10 -0.09 -1.40 0.00 0.00 179.01 178.96 1xbl h ARG 19 N 1.04 0.27 0.18 2.33 1.12 -1.99 0.28 114.38 117.62 1xbl h ARG 19 Ca 0.47 -0.02 -0.31 0.00 -1.11 0.00 0.00 59.98 59.01 1xbl h ARG 19 Cb 0.39 -0.06 0.03 0.00 -0.01 0.00 0.00 29.97 30.32 1xbl h ARG 19 CO -0.23 0.21 -1.34 1.49 -3.11 0.00 0.00 179.97 176.99 1xbl h GLU 20 N 0.28 0.54 -0.99 0.20 4.81 -1.10 -2.96 114.58 115.37 1xbl h GLU 20 Ca 0.07 -0.82 0.14 0.00 -0.13 0.00 0.00 59.36 58.62 1xbl h GLU 20 Cb 0.03 0.29 -0.09 0.00 0.63 0.00 0.00 28.75 29.61 1xbl h GLU 20 CO -0.01 1.38 0.61 0.82 -0.73 0.00 0.00 179.01 181.08 1xbl h ILE 21 N 0.20 0.86 -0.60 2.32 1.08 -0.25 0.13 117.51 121.24 1xbl h ILE 21 Ca -0.21 -0.31 0.11 0.00 -0.39 0.00 0.00 64.86 64.06 1xbl h ILE 21 Cb 2.03 -0.13 -0.04 0.00 -3.07 0.00 0.00 36.82 35.61 1xbl h ILE 21 CO 0.25 0.17 0.41 -0.09 -0.69 0.00 0.00 178.15 178.20 1xbl h ARG 22 N 0.92 0.34 0.46 2.37 9.65 -0.29 0.28 114.38 128.10 1xbl h ARG 22 Ca 0.51 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.35 1xbl h ARG 22 Cb 0.58 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1xbl h ARG 22 CO -0.30 0.23 -0.22 0.87 2.80 0.00 0.00 179.97 183.35 1xbl h LYS 23 N 0.35 -0.59 0.28 0.20 1.79 -0.66 0.94 116.57 118.89 1xbl h LYS 23 Ca 0.28 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.80 1xbl h LYS 23 Cb 0.64 0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.40 1xbl h LYS 23 CO -0.07 -0.34 -0.32 0.00 -1.08 0.00 0.00 179.45 177.64 1xbl h ALA 24 N -0.24 -0.66 -0.01 3.86 0.00 -1.03 -0.03 119.26 121.16 1xbl h ALA 24 Ca -0.06 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1xbl h ALA 24 Cb 0.53 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1xbl h ALA 24 CO 0.10 -0.91 -0.25 -0.92 0.00 0.00 0.00 179.25 177.27 1xbl h TYR 25 N -0.65 -0.68 -0.27 0.00 3.20 -0.51 0.19 116.97 118.25 1xbl h TYR 25 Ca -0.01 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1xbl h TYR 25 Cb 0.60 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 1xbl h TYR 25 CO -0.21 -0.34 0.12 -0.22 -1.64 0.00 0.00 178.16 175.86 1xbl h LYS 26 N -0.39 0.40 -0.40 1.82 1.63 -0.80 0.52 116.57 119.36 1xbl h LYS 26 Ca 0.07 -0.06 0.05 0.00 -0.85 0.00 0.00 60.65 59.85 1xbl h LYS 26 Cb 0.48 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.99 1xbl h LYS 26 CO -0.23 0.40 0.12 -0.09 -3.45 0.00 0.00 179.45 176.21 1xbl h ARG 27 N 0.29 0.27 -0.04 1.90 9.65 -0.49 0.45 114.38 126.42 1xbl h ARG 27 Ca 0.09 -0.02 0.02 0.00 -1.10 0.00 0.00 59.98 58.98 1xbl h ARG 27 Cb 0.15 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 1xbl h ARG 27 CO -0.01 0.18 -0.09 -0.07 2.80 0.00 0.00 179.97 182.78 1xbl h LEU 28 N 0.28 -0.26 -2.25 3.80 3.38 -0.46 0.14 115.31 119.94 1xbl h LEU 28 Ca 0.19 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1xbl h LEU 28 Cb 0.18 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1xbl h LEU 28 CO -0.20 -0.12 -0.03 0.00 0.09 0.00 0.00 178.44 178.17 1xbl h ALA 29 N 0.89 1.10 0.24 1.53 0.00 0.00 0.27 119.26 123.28 1xbl h ALA 29 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xbl h ALA 29 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1xbl h ALA 29 CO -0.12 0.04 -0.12 1.98 0.00 0.00 0.00 179.25 181.04 1xbl h MET 30 N 0.00 -0.31 -0.24 0.00 4.05 0.80 -0.41 114.93 118.82 1xbl h MET 30 Ca -0.00 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.49 1xbl h MET 30 Cb 0.24 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.06 1xbl h MET 30 CO 0.00 0.06 -0.03 0.87 0.23 0.00 0.00 176.91 178.04 1xbl h LYS 31 N -0.82 0.03 -1.04 0.39 1.79 -0.19 -1.74 116.57 115.00 1xbl h LYS 31 Ca -0.03 -0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.05 1xbl h LYS 31 Cb 0.51 -0.01 -0.22 0.00 -1.58 0.00 0.00 32.23 30.93 1xbl h LYS 31 CO 0.05 0.02 0.49 0.66 -1.08 0.00 0.00 179.45 179.60 1xbl n TYR 32 N -5.19 2.22 -1.58 -1.35 4.01 0.86 -4.94 117.16 111.19 1xbl n TYR 32 Ca -0.02 -1.60 -0.40 0.00 -0.16 0.00 0.00 57.90 55.73 1xbl n TYR 32 Cb 0.13 -0.81 0.02 0.00 -0.31 0.00 0.00 39.34 38.38 1xbl n TYR 32 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1xbl n HIS 33 N -0.62 0.76 -0.86 -0.72 -0.00 -0.16 -4.82 115.22 108.79 1xbl n HIS 33 Ca 0.43 0.52 -0.35 0.00 -0.00 0.00 0.00 57.72 58.32 1xbl n HIS 33 Cb 1.25 -2.16 -0.05 0.00 -0.00 0.00 0.00 29.99 29.03 1xbl n HIS 33 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1xbl n PRO 34 N -0.12 1.31 -2.17 1.57 -0.04 -1.26 -4.84 135.00 129.44 1xbl n PRO 34 Ca 0.11 -1.51 -0.35 0.00 -0.04 0.00 0.00 63.50 61.71 1xbl n PRO 34 Cb 0.42 -2.66 -0.04 0.00 -0.04 0.00 0.00 33.50 31.18 1xbl n PRO 34 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1xbl s ASP 35 N 4.88 5.49 0.00 3.54 -4.77 -1.26 -4.44 116.67 120.12 1xbl s ASP 35 Ca 0.50 -0.38 0.00 0.00 -3.30 0.00 0.00 52.55 49.36 1xbl s ASP 35 Cb 0.12 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.40 1xbl s ASP 35 CO 0.10 -2.34 0.00 -2.11 0.70 0.00 0.00 175.17 171.52 1xbl n ARG 36 N 9.04 0.00 -3.27 2.11 1.85 -1.26 -4.70 116.66 120.43 1xbl n ARG 36 Ca 0.28 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.92 1xbl n ARG 36 Cb 0.50 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.93 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 0.53 -6.32 -3.14 2.89 2.85 -1.26 -4.98 115.26 105.83 1xbl n ASN 37 Ca 0.00 0.23 -0.22 0.00 -0.11 0.00 0.00 54.58 54.48 1xbl n ASN 37 Cb 0.00 -2.33 -0.06 0.00 1.24 0.00 0.00 39.78 38.63 1xbl n ASN 37 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1xbl n GLN 38 N 0.35 0.68 0.00 1.20 7.27 -1.26 -4.77 117.38 120.85 1xbl n GLN 38 Ca -0.03 -3.02 0.00 0.00 0.07 0.00 0.00 57.00 54.02 1xbl n GLN 38 Cb 0.55 -1.27 0.00 0.00 2.41 0.00 0.00 30.24 31.92 1xbl n GLN 38 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1xbl n GLY 39 N 1.55 3.61 3.73 1.69 0.00 -1.26 -5.10 105.19 109.41 1xbl n GLY 39 Ca 0.20 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 1xbl n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xbl s ASP 40 N 0.00 4.45 0.00 1.61 -1.08 -1.26 -4.85 116.67 115.54 1xbl s ASP 40 Ca 0.00 2.45 0.00 0.00 -0.52 0.00 0.00 52.55 54.48 1xbl s ASP 40 Cb 0.00 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.86 1xbl s ASP 40 CO 0.00 -2.10 0.00 0.29 0.52 0.00 0.00 175.17 173.88 1xbl n LYS 41 N -2.31 0.00 0.31 4.34 5.02 -1.26 -4.88 118.16 119.37 1xbl n LYS 41 Ca 0.14 0.00 0.19 0.00 -2.02 0.00 0.00 58.31 56.62 1xbl n LYS 41 Cb 0.49 0.00 1.01 0.00 -0.02 0.00 0.00 35.03 36.51 1xbl n LYS 41 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1xbl h GLU 42 N 0.00 0.00 -0.29 1.97 4.22 -1.99 0.37 114.58 118.86 1xbl h GLU 42 Ca 0.00 0.00 0.05 0.00 0.08 0.00 0.00 59.36 59.49 1xbl h GLU 42 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1xbl h GLU 42 CO 0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 179.01 176.79 1xbl h ALA 43 N 1.77 0.23 -0.66 2.92 0.00 -1.98 0.14 119.26 121.68 1xbl h ALA 43 Ca 0.02 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1xbl h ALA 43 Cb 0.29 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1xbl h ALA 43 CO -0.00 -0.44 0.27 1.49 0.00 0.00 0.00 179.25 180.57 1xbl h GLU 44 N 0.04 0.98 -0.58 0.00 4.81 -0.64 0.16 114.58 119.36 1xbl h GLU 44 Ca 0.14 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1xbl h GLU 44 Cb 0.20 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1xbl h GLU 44 CO -0.27 0.82 0.33 0.00 -0.73 0.00 0.00 179.01 179.16 1xbl h ALA 45 N 1.12 0.75 -0.49 2.92 0.00 -1.25 0.18 119.26 122.49 1xbl h ALA 45 Ca 0.22 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.22 1xbl h ALA 45 Cb 0.20 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 1xbl h ALA 45 CO -0.02 0.03 0.04 -0.22 0.00 0.00 0.00 179.25 179.09 1xbl h LYS 46 N 0.65 0.16 -0.56 0.00 3.64 0.02 0.16 116.57 120.63 1xbl h LYS 46 Ca 0.24 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1xbl h LYS 46 Cb 0.08 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1xbl h LYS 46 CO -0.13 0.11 0.37 0.35 -2.27 0.00 0.00 179.45 177.88 1xbl h PHE 47 N 0.16 0.71 -0.37 1.91 3.57 0.88 -1.56 116.94 122.25 1xbl h PHE 47 Ca 0.25 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.80 1xbl h PHE 47 Cb 0.36 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1xbl h PHE 47 CO -0.27 0.44 0.13 0.87 -2.23 0.00 0.00 178.31 177.26 1xbl h LYS 48 N 0.76 0.28 -0.10 1.11 1.57 0.13 0.11 116.57 120.44 1xbl h LYS 48 Ca 0.21 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1xbl h LYS 48 Cb -0.08 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 1xbl h LYS 48 CO -0.05 0.19 0.06 0.93 -0.57 0.00 0.00 179.45 180.01 1xbl h GLU 49 N 0.29 0.13 -0.76 3.15 5.08 -0.76 0.27 114.58 121.98 1xbl h GLU 49 Ca 0.16 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1xbl h GLU 49 Cb 0.13 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1xbl h GLU 49 CO -0.16 0.13 0.50 0.82 -1.00 0.00 0.00 179.01 179.30 1xbl h ILE 50 N 0.10 1.19 -0.12 3.13 2.04 -1.14 0.26 117.51 122.98 1xbl h ILE 50 Ca 0.04 -0.35 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 1xbl h ILE 50 Cb 0.03 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 1xbl h ILE 50 CO -0.01 0.19 -0.30 0.50 0.00 0.00 0.00 178.15 178.53 1xbl h LYS 51 N 1.03 0.22 0.05 2.37 3.11 -0.14 -2.03 116.57 121.18 1xbl h LYS 51 Ca 0.28 -0.08 -0.00 0.00 -2.81 0.00 0.00 60.65 58.04 1xbl h LYS 51 Cb -0.12 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.10 1xbl h LYS 51 CO -0.06 0.51 -0.02 1.49 -2.81 0.00 0.00 179.45 178.55 1xbl h GLU 52 N 0.20 -0.07 -0.54 1.90 4.81 0.12 -2.37 114.58 118.64 1xbl h GLU 52 Ca 0.03 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.36 1xbl h GLU 52 Cb 0.64 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.95 1xbl h GLU 52 CO 0.05 0.32 0.06 0.00 -0.73 0.00 0.00 179.01 178.70 1xbl h ALA 53 N 0.45 0.57 0.00 2.92 0.00 -0.92 0.16 119.26 122.44 1xbl h ALA 53 Ca -0.01 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1xbl h ALA 53 Cb 0.41 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1xbl h ALA 53 CO 0.01 -0.35 -0.07 -0.92 0.00 0.00 0.00 179.25 177.92 1xbl h TYR 54 N 0.18 0.00 0.02 0.00 3.20 -1.33 0.83 116.97 119.87 1xbl h TYR 54 Ca 0.28 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.96 1xbl h TYR 54 Cb 0.41 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.69 1xbl h TYR 54 CO -0.28 0.07 -0.74 1.49 -1.64 0.00 0.00 178.16 177.07 1xbl h GLU 55 N 0.00 0.46 -0.38 1.82 4.81 -0.25 -3.34 114.58 117.70 1xbl h GLU 55 Ca -0.00 -0.52 -0.13 0.00 -0.13 0.00 0.00 59.36 58.57 1xbl h GLU 55 Cb 0.27 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1xbl h GLU 55 CO 0.01 1.17 -0.29 0.28 -0.73 0.00 0.00 179.01 179.46 1xbl h VAL 56 N -0.03 1.28 -0.97 0.32 2.07 -0.20 -3.43 116.25 115.29 1xbl h VAL 56 Ca -0.10 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 65.99 1xbl h VAL 56 Cb 1.45 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1xbl h VAL 56 CO 0.14 0.48 0.00 0.18 0.02 0.00 0.00 177.57 178.39 1xbl n LEU 57 N -4.09 0.00 -4.01 2.57 4.77 0.22 -3.49 117.00 112.98 1xbl n LEU 57 Ca -0.01 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 1xbl n LEU 57 Cb 0.48 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 1xbl n LEU 57 CO 0.46 0.00 -0.06 0.35 -1.33 0.00 0.00 177.39 176.81 1xbl n THR 58 N 0.00 -0.63 -3.55 -5.08 -2.24 -1.26 -4.89 114.28 96.63 1xbl n THR 58 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1xbl n THR 58 Cb 0.00 -1.22 -0.03 0.00 -2.10 0.00 0.00 70.33 66.97 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 -3.05 -0.33 0.00 3.42 -1.08 -1.26 -5.06 116.67 109.31 1xbl s ASP 59 Ca 0.65 0.18 0.00 0.00 -0.52 0.00 0.00 52.55 52.86 1xbl s ASP 59 Cb -0.36 0.31 0.00 0.00 -1.46 0.00 0.00 42.92 41.41 1xbl s ASP 59 CO 0.79 -0.43 0.26 -1.20 0.52 0.00 0.00 175.17 175.11 1xbl n SER 60 N 0.24 0.52 -0.04 -0.34 7.64 -1.26 -4.56 113.62 115.81 1xbl n SER 60 Ca -0.08 -0.89 -0.04 0.00 1.01 0.00 0.00 58.87 58.87 1xbl n SER 60 Cb 0.59 0.09 -0.01 0.00 -1.01 0.00 0.00 64.21 63.88 1xbl n SER 60 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1xbl n GLN 61 N -0.09 0.25 -0.19 1.43 7.27 -1.26 -3.98 117.38 120.81 1xbl n GLN 61 Ca 0.00 0.19 -0.03 0.00 0.07 0.00 0.00 57.00 57.24 1xbl n GLN 61 Cb 0.08 -1.04 0.17 0.00 2.41 0.00 0.00 30.24 31.86 1xbl n GLN 61 CO 0.00 0.00 0.00 1.57 0.07 0.00 0.00 177.06 178.70 1xbl h LYS 62 N -0.50 0.95 -2.47 3.69 2.10 -1.90 0.14 116.57 118.59 1xbl h LYS 62 Ca 0.00 -0.16 -0.15 0.00 -2.00 0.00 0.00 60.65 58.35 1xbl h LYS 62 Cb 0.42 -0.16 -0.04 0.00 -0.90 0.00 0.00 32.23 31.55 1xbl h LYS 62 CO 0.00 0.78 0.21 -2.13 -2.00 0.00 0.00 179.45 176.31 1xbl n ARG 63 N -4.31 1.35 0.00 0.07 0.00 -1.23 -2.81 116.66 109.75 1xbl n ARG 63 Ca 0.06 -0.72 0.00 0.00 -0.00 0.00 0.00 57.85 57.19 1xbl n ARG 63 Cb 0.18 -1.88 0.00 0.00 0.00 0.00 0.00 32.46 30.76 1xbl n ARG 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xbl n ALA 64 N 2.82 0.00 0.01 5.13 0.00 -0.57 -4.64 120.51 123.26 1xbl n ALA 64 Ca 0.29 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.63 1xbl n ALA 64 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 1xbl n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xbl h ALA 65 N 0.00 -0.17 -0.96 0.00 0.00 -0.77 0.15 119.26 117.52 1xbl h ALA 65 Ca 0.00 0.04 0.19 0.00 0.00 0.00 0.00 54.91 55.14 1xbl h ALA 65 Cb 0.00 0.40 -0.18 0.00 0.00 0.00 0.00 17.79 18.01 1xbl h ALA 65 CO 0.00 -0.67 -0.24 -0.92 0.00 0.00 0.00 179.25 177.42 1xbl h TYR 66 N -0.27 -0.51 -0.25 0.00 3.20 -1.26 0.12 116.97 118.00 1xbl h TYR 66 Ca 0.09 0.09 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1xbl h TYR 66 Cb 0.41 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 1xbl h TYR 66 CO -0.30 -0.41 -0.01 0.22 -1.64 0.00 0.00 178.16 176.01 1xbl h ASP 67 N -0.00 0.44 0.77 -2.11 1.82 -1.06 0.16 116.42 116.43 1xbl h ASP 67 Ca 0.46 -0.32 -0.04 0.00 -0.39 0.00 0.00 57.03 56.74 1xbl h ASP 67 Cb 0.70 -0.12 0.01 0.00 0.68 0.00 0.00 39.33 40.60 1xbl h ASP 67 CO -0.99 0.65 -0.37 1.56 -1.61 0.00 0.00 179.24 178.49 1xbl h GLN 68 N 0.22 -0.99 0.00 0.28 7.50 0.12 -3.43 115.11 118.81 1xbl h GLN 68 Ca 0.07 0.07 -0.17 0.00 0.50 0.00 0.00 58.65 59.12 1xbl h GLN 68 Cb 0.43 0.23 -0.13 0.00 0.05 0.00 0.00 27.48 28.06 1xbl h GLN 68 CO 0.01 -0.65 -0.17 0.66 -1.50 0.00 0.00 178.83 177.19 1xbl n TYR 69 N -5.51 -1.69 -3.77 2.96 4.01 0.33 -5.03 117.16 108.46 1xbl n TYR 69 Ca -0.14 -1.46 0.00 0.00 -0.16 0.00 0.00 57.90 56.14 1xbl n TYR 69 Cb 0.42 1.42 0.00 0.00 -0.31 0.00 0.00 39.34 40.87 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 0.10 1.62 2.21 2.72 0.00 0.04 -1.29 105.19 110.58 1xbl n GLY 70 Ca -0.04 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 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 5.53 2.10 -2.78 1.61 -0.00 -1.26 -2.16 115.22 118.26 1xbl n HIS 71 Ca 0.00 -2.27 -0.10 0.00 -0.00 0.00 0.00 57.72 55.36 1xbl n HIS 71 Cb 0.00 -1.19 0.07 0.00 -0.00 0.00 0.00 29.99 28.87 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 0.06 1.35 -1.04 1.57 0.00 -0.41 -4.99 120.51 117.05 1xbl n ALA 72 Ca 0.44 -2.12 0.04 0.00 0.00 0.00 0.00 53.44 51.81 1xbl n ALA 72 Cb 0.57 -1.02 0.29 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.08 3.57 0.13 0.00 0.00 -1.19 -3.81 120.51 119.13 1xbl n ALA 73 Ca 0.07 -2.34 0.00 0.00 0.00 0.00 0.00 53.44 51.17 1xbl n ALA 73 Cb 0.77 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.32 -3.53 0.95 0.00 -0.00 -1.26 -4.90 117.46 108.39 1xbl n PHE 74 Ca 0.27 0.85 0.00 0.00 -0.00 0.00 0.00 57.45 58.58 1xbl n PHE 74 Cb 1.05 2.31 0.00 0.00 -0.00 0.00 0.00 39.48 42.84 1xbl n PHE 74 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1xbl n GLU 75 N -3.04 0.69 0.00 -4.13 -0.58 -1.26 -5.25 120.64 107.07 1xbl n GLU 75 Ca 0.00 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.76 1xbl n GLU 75 Cb 0.00 -1.22 0.11 0.00 -0.57 0.00 0.00 31.44 29.76 1xbl n GLU 75 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65