#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i11 n HIS 2 N 0.00 -2.13 -4.24 0.54 8.25 -1.26 -5.00 115.22 111.37 1i11 n HIS 2 Ca 0.00 0.86 -0.13 0.00 -0.26 0.00 0.00 57.72 58.19 1i11 n HIS 2 Cb 0.00 -4.59 -0.10 0.00 1.12 0.00 0.00 29.99 26.42 1i11 n HIS 2 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1i11 s ILE 3 N -3.47 0.66 -1.10 1.59 -4.36 -1.26 -4.98 121.20 108.28 1i11 s ILE 3 Ca 0.11 -1.98 -0.21 0.00 -0.26 0.00 0.00 60.65 58.32 1i11 s ILE 3 Cb -0.02 -2.13 -0.07 0.00 1.25 0.00 0.00 42.46 41.49 1i11 s ILE 3 CO 0.77 -0.46 1.93 0.29 0.24 0.00 0.00 174.94 177.71 1i11 n LYS 4 N -0.24 2.00 -0.01 0.37 5.02 -1.26 -4.65 118.16 119.38 1i11 n LYS 4 Ca -0.06 -2.42 -0.11 0.00 -2.02 0.00 0.00 58.31 53.69 1i11 n LYS 4 Cb 0.63 -3.37 -0.09 0.00 -0.02 0.00 0.00 35.03 32.18 1i11 n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i11 h ARG 5 N 8.29 -0.08 -5.27 1.97 2.47 -2.01 -3.37 114.38 116.37 1i11 h ARG 5 Ca 0.37 0.01 -0.69 0.00 -1.26 0.00 0.00 59.98 58.40 1i11 h ARG 5 Cb 0.80 0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 29.07 1i11 h ARG 5 CO 1.59 0.50 2.48 -0.35 0.56 0.00 0.00 179.97 184.75 1i11 n PRO 6 N -4.79 3.10 -0.02 0.04 -0.04 -1.26 -4.52 135.00 127.50 1i11 n PRO 6 Ca -0.08 -3.08 0.07 0.00 -0.04 0.00 0.00 63.50 60.37 1i11 n PRO 6 Cb 0.31 -3.43 -0.15 0.00 -0.04 0.00 0.00 33.50 30.19 1i11 n PRO 6 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1i11 n MET 7 N 7.65 0.66 -4.42 0.54 2.81 -1.26 -4.70 117.12 118.40 1i11 n MET 7 Ca 0.50 -0.16 -0.27 0.00 -1.81 0.00 0.00 57.70 55.96 1i11 n MET 7 Cb 0.44 -1.47 -0.12 0.00 -0.71 0.00 0.00 33.22 31.36 1i11 n MET 7 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1i11 s ASN 8 N -4.43 3.46 0.19 7.83 2.20 -1.26 -4.91 114.94 118.02 1i11 s ASN 8 Ca -0.08 -0.86 0.17 0.00 -0.94 0.00 0.00 52.86 51.15 1i11 s ASN 8 Cb 0.12 -0.27 0.80 0.00 -2.00 0.00 0.00 41.25 39.90 1i11 s ASN 8 CO 0.81 0.12 1.52 0.00 -2.94 0.00 0.00 177.10 176.61 1i11 n ALA 9 N 0.25 1.31 0.07 3.54 0.00 -1.26 -2.74 120.51 121.68 1i11 n ALA 9 Ca -0.12 0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 1i11 n ALA 9 Cb 0.56 -1.26 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 1i11 n ALA 9 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1i11 h PHE 10 N 0.00 -0.17 0.00 0.00 3.57 -1.94 2.27 116.94 120.68 1i11 h PHE 10 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1i11 h PHE 10 Cb 0.15 0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1i11 h PHE 10 CO 0.00 -0.10 0.13 0.52 -2.23 0.00 0.00 178.31 176.63 1i11 h MET 11 N -0.26 0.00 0.01 1.11 2.86 -1.89 2.73 114.93 119.50 1i11 h MET 11 Ca -0.02 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1i11 h MET 11 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1i11 h MET 11 CO 0.03 0.00 -0.12 0.28 1.06 0.00 0.00 176.91 178.16 1i11 h VAL 12 N 0.00 1.74 0.06 -2.22 2.07 -1.26 -2.18 116.25 114.47 1i11 h VAL 12 Ca 0.00 -2.36 -0.24 0.00 0.82 0.00 0.00 66.70 64.92 1i11 h VAL 12 Cb 0.27 3.34 -0.01 0.00 -1.52 0.00 0.00 31.29 33.37 1i11 h VAL 12 CO 0.00 0.61 -1.10 -0.25 0.02 0.00 0.00 177.57 176.85 1i11 h TRP 13 N -0.94 0.28 0.00 1.57 7.01 0.63 -3.12 115.95 121.37 1i11 h TRP 13 Ca -0.03 -0.19 0.00 0.00 2.11 0.00 0.00 58.89 60.78 1i11 h TRP 13 Cb 1.07 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.12 1i11 h TRP 13 CO 0.27 1.13 0.00 0.00 -2.79 0.00 0.00 178.44 177.04 1i11 h ALA 14 N 0.80 1.00 -0.27 2.65 0.00 0.46 -1.88 119.26 122.02 1i11 h ALA 14 Ca -0.07 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1i11 h ALA 14 Cb 1.83 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 1i11 h ALA 14 CO 0.17 0.00 -0.15 1.57 0.00 0.00 0.00 179.25 180.83 1i11 h LYS 15 N 0.00 0.46 0.01 0.00 5.09 -1.32 1.52 116.57 122.33 1i11 h LYS 15 Ca 0.00 -0.14 -0.30 0.00 0.09 0.00 0.00 60.65 60.30 1i11 h LYS 15 Cb 0.57 -0.05 -0.05 0.00 0.10 0.00 0.00 32.23 32.80 1i11 h LYS 15 CO 0.00 0.60 -1.77 -3.47 -2.09 0.00 0.00 179.45 172.72 1i11 n ASP 16 N -4.19 0.99 0.11 7.07 -0.08 -1.10 -2.94 116.55 116.40 1i11 n ASP 16 Ca 0.00 0.37 -0.01 0.00 -1.51 0.00 0.00 54.79 53.64 1i11 n ASP 16 Cb 0.33 -0.12 0.25 0.00 2.34 0.00 0.00 41.12 43.92 1i11 n ASP 16 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1i11 h GLU 17 N 0.01 0.21 -0.00 -0.67 5.08 -0.97 2.03 114.58 120.27 1i11 h GLU 17 Ca -0.31 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1i11 h GLU 17 Cb 2.03 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.27 1i11 h GLU 17 CO 0.08 0.58 0.00 0.00 -1.00 0.00 0.00 179.01 178.66 1i11 h ARG 18 N 0.17 0.01 -0.54 2.33 2.47 0.21 0.61 114.38 119.64 1i11 h ARG 18 Ca 0.02 -0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.62 1i11 h ARG 18 Cb 0.78 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.09 1i11 h ARG 18 CO 0.06 0.24 -0.11 0.00 0.56 0.00 0.00 179.97 180.73 1i11 h ARG 19 N -0.23 1.03 0.00 0.04 2.47 -1.34 1.90 114.38 118.24 1i11 h ARG 19 Ca 0.00 -0.38 -0.03 0.00 -1.26 0.00 0.00 59.98 58.31 1i11 h ARG 19 Cb 0.24 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1i11 h ARG 19 CO 0.00 1.07 -0.13 0.87 0.56 0.00 0.00 179.97 182.34 1i11 h LYS 20 N 0.90 0.00 0.01 0.04 1.79 0.36 -2.53 116.57 117.15 1i11 h LYS 20 Ca 0.14 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.22 1i11 h LYS 20 Cb 0.68 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.27 1i11 h LYS 20 CO 0.05 0.13 -2.23 -0.89 -1.08 0.00 0.00 179.45 175.43 1i11 n ILE 21 N -3.53 1.55 -0.32 1.86 -0.00 0.21 -4.08 119.36 115.05 1i11 n ILE 21 Ca -0.01 -0.39 0.34 0.00 -0.00 0.00 0.00 62.75 62.69 1i11 n ILE 21 Cb 0.27 -1.79 0.72 0.00 -0.00 0.00 0.00 39.64 38.85 1i11 n ILE 21 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.55 176.80 1i11 h LEU 22 N -0.65 0.06 -0.68 1.39 5.85 0.30 2.62 115.31 124.19 1i11 h LEU 22 Ca -0.58 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.06 1i11 h LEU 22 Cb 1.67 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.68 1i11 h LEU 22 CO -0.25 0.01 0.04 0.06 -0.34 0.00 0.00 178.44 177.95 1i11 h GLN 23 N 0.05 1.06 0.00 1.25 3.07 -1.62 1.32 115.11 120.24 1i11 h GLN 23 Ca 0.57 -0.31 0.00 0.00 0.09 0.00 0.00 58.65 59.00 1i11 h GLN 23 Cb 2.18 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 29.63 1i11 h GLN 23 CO -0.05 1.01 -0.24 0.00 0.09 0.00 0.00 178.83 179.64 1i11 n ALA 24 N -2.48 2.77 -2.91 0.06 0.00 0.77 -4.32 120.51 114.40 1i11 n ALA 24 Ca 0.03 -0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.17 1i11 n ALA 24 Cb 0.33 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1i11 n ALA 24 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1i11 n PHE 25 N -1.71 -2.59 0.59 0.00 3.72 0.48 -4.96 117.46 112.99 1i11 n PHE 25 Ca 0.06 -2.20 0.06 0.00 -0.05 0.00 0.00 57.45 55.31 1i11 n PHE 25 Cb 0.37 1.02 0.31 0.00 -0.94 0.00 0.00 39.48 40.23 1i11 n PHE 25 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1i11 n PRO 26 N 1.98 0.20 -0.10 -1.08 -0.04 0.44 -1.71 135.00 134.70 1i11 n PRO 26 Ca 0.15 0.15 -0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1i11 n PRO 26 Cb 0.58 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.40 1i11 n PRO 26 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1i11 n ASP 27 N -1.25 0.98 -4.56 3.54 -0.08 -1.26 -4.75 116.55 109.17 1i11 n ASP 27 Ca 0.06 -0.04 -0.20 0.00 -1.51 0.00 0.00 54.79 53.10 1i11 n ASP 27 Cb 0.09 0.54 -0.06 0.00 2.34 0.00 0.00 41.12 44.03 1i11 n ASP 27 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 1i11 s MET 28 N -2.46 1.91 0.00 -0.67 1.75 -0.69 -4.89 119.30 114.25 1i11 s MET 28 Ca -0.16 0.43 0.00 0.00 -1.25 0.00 0.00 55.69 54.70 1i11 s MET 28 Cb 0.06 -4.81 0.00 0.00 2.84 0.00 0.00 34.83 32.93 1i11 s MET 28 CO 0.69 -4.01 0.00 -2.39 -0.65 0.00 0.00 175.02 168.67 1i11 n HIS 29 N 17.06 -0.09 0.22 4.11 1.44 -1.26 -4.32 115.22 132.38 1i11 n HIS 29 Ca 0.43 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 56.05 1i11 n HIS 29 Cb 0.46 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.53 1i11 n HIS 29 CO 0.00 0.00 0.00 -2.95 -2.81 0.00 0.00 176.34 170.58 1i11 h ASN 30 N 0.00 -0.48 -1.27 4.39 -1.07 -1.97 0.74 115.58 115.92 1i11 h ASN 30 Ca 0.00 0.02 0.37 0.00 0.07 0.00 0.00 56.30 56.76 1i11 h ASN 30 Cb 0.00 0.13 -0.05 0.00 -2.07 0.00 0.00 38.32 36.32 1i11 h ASN 30 CO 0.00 -0.28 1.28 -0.24 0.07 0.00 0.00 177.43 178.26 1i11 n SER 31 N -3.90 0.00 -0.12 6.14 2.88 -1.26 -0.75 113.62 116.62 1i11 n SER 31 Ca -0.07 0.82 -0.24 0.00 -1.33 0.00 0.00 58.87 58.04 1i11 n SER 31 Cb 0.23 -0.32 -0.09 0.00 -0.75 0.00 0.00 64.21 63.28 1i11 n SER 31 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1i11 n ASN 32 N -3.41 1.73 -0.08 -3.46 3.02 -1.12 -4.41 115.26 107.53 1i11 n ASN 32 Ca 0.29 0.24 0.22 0.00 -0.03 0.00 0.00 54.58 55.30 1i11 n ASN 32 Cb 1.66 -0.66 0.67 0.00 -0.61 0.00 0.00 39.78 40.84 1i11 n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1i11 h ILE 33 N -0.76 0.69 -0.67 2.41 1.08 0.18 -0.20 117.51 120.24 1i11 h ILE 33 Ca -0.59 -0.02 0.11 0.00 -0.39 0.00 0.00 64.86 63.96 1i11 h ILE 33 Cb 1.55 0.61 -0.08 0.00 -3.07 0.00 0.00 36.82 35.83 1i11 h ILE 33 CO -0.33 0.01 0.27 0.28 -0.69 0.00 0.00 178.15 177.69 1i11 h SER 34 N 0.07 0.28 0.52 1.72 0.02 -1.14 0.91 113.55 115.93 1i11 h SER 34 Ca 0.33 0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 61.30 1i11 h SER 34 Cb 1.20 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 1i11 h SER 34 CO -0.03 0.15 -0.27 0.11 -1.14 0.00 0.00 176.83 175.65 1i11 h LYS 35 N 0.45 0.00 0.33 3.45 1.57 -1.26 -0.32 116.57 120.78 1i11 h LYS 35 Ca 0.34 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.11 1i11 h LYS 35 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1i11 h LYS 35 CO -0.33 0.27 -0.16 0.82 -0.57 0.00 0.00 179.45 179.49 1i11 h ILE 36 N 0.00 0.20 0.18 1.86 5.03 0.37 -1.54 117.51 123.61 1i11 h ILE 36 Ca -0.00 -0.74 0.00 0.00 -0.12 0.00 0.00 64.86 64.00 1i11 h ILE 36 Cb 0.60 0.34 -0.03 0.00 -3.03 0.00 0.00 36.82 34.70 1i11 h ILE 36 CO 0.04 0.05 -0.39 -0.07 -0.68 0.00 0.00 178.15 177.10 1i11 h LEU 37 N -1.07 -1.13 -1.04 1.44 3.38 0.62 1.65 115.31 119.17 1i11 h LEU 37 Ca -0.05 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1i11 h LEU 37 Cb 0.42 0.40 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1i11 h LEU 37 CO 0.07 -0.44 0.11 0.61 0.09 0.00 0.00 178.44 178.88 1i11 n GLY 38 N -1.38 -0.72 0.01 0.83 0.00 -0.14 0.19 105.19 103.98 1i11 n GLY 38 Ca -0.07 0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.20 1i11 n GLY 38 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1i11 n SER 39 N -2.06 0.39 0.00 1.61 7.64 0.50 -3.16 113.62 118.54 1i11 n SER 39 Ca -0.01 -0.30 -0.11 0.00 1.01 0.00 0.00 58.87 59.46 1i11 n SER 39 Cb 0.13 1.68 -0.14 0.00 -1.01 0.00 0.00 64.21 64.87 1i11 n SER 39 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1i11 h ARG 40 N 0.00 0.07 0.72 1.43 3.08 1.24 -3.06 114.38 117.86 1i11 h ARG 40 Ca 0.00 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1i11 h ARG 40 Cb 0.83 0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.93 1i11 h ARG 40 CO 0.00 0.74 -0.34 2.35 -1.07 0.00 0.00 179.97 181.64 1i11 h TRP 41 N 0.02 -0.89 -0.00 3.04 2.91 0.20 -1.28 115.95 119.94 1i11 h TRP 41 Ca -0.27 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.73 1i11 h TRP 41 Cb 1.99 0.29 -0.00 0.00 -0.51 0.00 0.00 29.16 30.93 1i11 h TRP 41 CO 0.02 -0.55 0.09 0.87 -1.03 0.00 0.00 178.44 177.83 1i11 h LYS 42 N -1.20 0.00 -0.24 2.65 1.57 -1.71 0.62 116.57 118.27 1i11 h LYS 42 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1i11 h LYS 42 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1i11 h LYS 42 CO 0.16 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.04 1i11 n ALA 43 N -2.04 2.49 -1.37 3.86 0.00 -0.81 -4.83 120.51 117.82 1i11 n ALA 43 Ca -0.03 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1i11 n ALA 43 Cb 0.15 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1i11 n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i11 n MET 44 N 0.41 1.67 -0.55 0.00 0.00 0.22 -4.98 117.12 113.88 1i11 n MET 44 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 57.70 57.85 1i11 n MET 44 Cb 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 33.22 33.54 1i11 n MET 44 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1i11 n THR 45 N 0.00 0.00 0.00 3.17 -2.24 -1.26 -5.01 114.28 108.93 1i11 n THR 45 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1i11 n THR 45 Cb 0.00 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1i11 n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1i11 n ASN 46 N 0.02 0.00 0.21 3.42 3.02 -1.26 -4.05 115.26 116.61 1i11 n ASN 46 Ca -0.00 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.69 1i11 n ASN 46 Cb 0.64 0.00 0.63 0.00 -0.61 0.00 0.00 39.78 40.43 1i11 n ASN 46 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1i11 h LEU 47 N 0.00 0.00 0.06 3.41 4.07 -2.01 -2.48 115.31 118.36 1i11 h LEU 47 Ca 0.00 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.70 1i11 h LEU 47 Cb 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 1i11 h LEU 47 CO 0.00 0.00 -1.29 -0.33 -1.08 0.00 0.00 178.44 175.74 1i11 h GLU 48 N 0.00 0.13 -0.01 1.13 4.39 -1.96 -3.24 114.58 115.03 1i11 h GLU 48 Ca 0.00 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1i11 h GLU 48 Cb 0.38 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1i11 h GLU 48 CO 0.00 1.02 -0.05 0.36 -1.16 0.00 0.00 179.01 179.17 1i11 n LYS 49 N -3.38 1.09 -0.03 2.33 2.85 -0.96 -4.08 118.16 115.99 1i11 n LYS 49 Ca -0.09 -0.42 -0.10 0.00 -1.05 0.00 0.00 58.31 56.66 1i11 n LYS 49 Cb 1.00 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.86 1i11 n LYS 49 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1i11 h GLN 50 N 1.01 0.20 0.00 -1.58 4.20 -1.52 -1.51 115.11 115.91 1i11 h GLN 50 Ca 0.00 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 1i11 h GLN 50 Cb 0.31 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1i11 h GLN 50 CO 0.00 0.13 -0.31 -1.00 -0.67 0.00 0.00 178.83 176.98 1i11 h PRO 51 N 0.21 0.00 0.00 1.46 0.13 -1.80 -2.25 132.00 129.75 1i11 h PRO 51 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1i11 h PRO 51 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1i11 h PRO 51 CO -0.04 0.31 0.00 0.66 -0.23 0.00 0.00 178.00 178.70 1i11 n TYR 52 N -3.27 0.00 -0.06 1.56 4.01 -0.95 -2.30 117.16 116.16 1i11 n TYR 52 Ca 0.02 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.72 1i11 n TYR 52 Cb 0.58 -0.19 -0.02 0.00 -0.31 0.00 0.00 39.34 39.40 1i11 n TYR 52 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1i11 h TYR 53 N 0.00 0.00 0.00 -0.72 5.03 -0.65 -3.11 116.97 117.51 1i11 h TYR 53 Ca 0.00 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.24 1i11 h TYR 53 Cb 0.18 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.45 1i11 h TYR 53 CO 0.00 0.14 -0.33 1.05 -1.32 0.00 0.00 178.16 177.70 1i11 h GLU 54 N -1.00 0.00 0.00 1.82 4.11 -1.61 -0.65 114.58 117.25 1i11 h GLU 54 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1i11 h GLU 54 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1i11 h GLU 54 CO -0.01 0.33 0.00 0.39 0.07 0.00 0.00 179.01 179.79 1i11 n GLU 55 N -4.11 0.16 -0.06 1.06 -0.58 -0.97 -1.84 120.64 114.30 1i11 n GLU 55 Ca -0.02 0.44 -0.04 0.00 -0.42 0.00 0.00 57.16 57.12 1i11 n GLU 55 Cb 0.37 -1.84 -0.02 0.00 -0.57 0.00 0.00 31.44 29.38 1i11 n GLU 55 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1i11 h GLN 56 N 0.00 0.00 -0.28 3.49 -0.00 -1.04 -3.09 115.11 114.18 1i11 h GLN 56 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.73 1i11 h GLN 56 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.76 1i11 h GLN 56 CO 0.00 0.13 0.50 0.00 0.00 0.00 0.00 178.83 179.46 1i11 h ALA 57 N -0.90 1.89 0.29 3.38 0.00 -1.41 0.29 119.26 122.80 1i11 h ALA 57 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1i11 h ALA 57 Cb 0.37 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1i11 h ALA 57 CO -0.01 -0.64 -0.14 0.00 0.00 0.00 0.00 179.25 178.45 1i11 h ARG 58 N 0.00 -0.37 0.00 0.00 2.47 -1.42 -1.93 114.38 113.13 1i11 h ARG 58 Ca 0.14 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 1i11 h ARG 58 Cb 1.13 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 1i11 h ARG 58 CO -0.00 -0.25 0.00 1.37 0.56 0.00 0.00 179.97 181.65 1i11 h LEU 59 N -0.68 0.00 -0.26 3.04 8.10 -1.18 0.18 115.31 124.52 1i11 h LEU 59 Ca -0.04 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.83 1i11 h LEU 59 Cb 0.30 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.50 1i11 h LEU 59 CO 0.07 0.00 -0.59 -1.28 -4.11 0.00 0.00 178.44 172.53 1i11 h SER 60 N 0.00 0.00 0.42 0.17 0.87 -0.38 -2.07 113.55 112.56 1i11 h SER 60 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1i11 h SER 60 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1i11 h SER 60 CO 0.00 0.59 -0.20 0.50 -0.53 0.00 0.00 176.83 177.19 1i11 h LYS 61 N 0.00 -0.54 0.00 2.24 1.63 0.19 -2.99 116.57 117.09 1i11 h LYS 61 Ca -0.01 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1i11 h LYS 61 Cb 1.34 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 33.10 1i11 h LYS 61 CO 0.08 -0.32 0.00 -0.56 -3.45 0.00 0.00 179.45 175.20 1i11 h GLN 62 N -1.11 0.00 0.38 1.90 3.07 -1.61 -2.98 115.11 114.76 1i11 h GLN 62 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.66 1i11 h GLN 62 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.04 1i11 h GLN 62 CO 0.09 0.00 -0.18 1.25 0.09 0.00 0.00 178.83 180.08 1i11 h HIS 63 N 0.00 -0.48 -1.09 0.06 2.76 -1.23 -2.67 115.15 112.50 1i11 h HIS 63 Ca 0.00 -0.01 0.30 0.00 -2.20 0.00 0.00 60.37 58.46 1i11 h HIS 63 Cb 0.11 0.16 -0.10 0.00 1.55 0.00 0.00 27.41 29.13 1i11 h HIS 63 CO 0.00 -0.30 0.70 -0.07 -1.30 0.00 0.00 177.93 176.96 1i11 h LEU 64 N -0.59 0.42 -1.39 0.26 3.38 -1.41 2.12 115.31 118.10 1i11 h LEU 64 Ca -0.05 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1i11 h LEU 64 Cb 0.39 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1i11 h LEU 64 CO 0.09 0.03 0.01 -0.62 0.09 0.00 0.00 178.44 178.04 1i11 n GLU 65 N -4.66 0.13 -0.01 1.13 1.02 -1.03 -1.81 120.64 115.41 1i11 n GLU 65 Ca 0.28 0.63 -0.20 0.00 -0.02 0.00 0.00 57.16 57.85 1i11 n GLU 65 Cb 0.98 -1.96 -0.14 0.00 -0.02 0.00 0.00 31.44 30.31 1i11 n GLU 65 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1i11 h LYS 66 N 0.00 0.18 -3.26 3.49 1.79 0.37 -3.42 116.57 115.73 1i11 h LYS 66 Ca 0.00 -0.32 -0.63 0.00 -2.18 0.00 0.00 60.65 57.52 1i11 h LYS 66 Cb 0.03 0.12 -0.41 0.00 -1.58 0.00 0.00 32.23 30.39 1i11 h LYS 66 CO 0.00 1.15 -0.65 1.52 -1.08 0.00 0.00 179.45 180.39 1i11 s TYR 67 N -2.42 2.90 0.00 -1.35 1.13 -0.75 -4.97 117.35 111.89 1i11 s TYR 67 Ca -0.20 -3.00 0.00 0.00 -1.41 0.00 0.00 57.07 52.46 1i11 s TYR 67 Cb 0.03 -2.58 0.00 0.00 -1.10 0.00 0.00 41.96 38.31 1i11 s TYR 67 CO 0.74 -0.74 0.02 -0.35 -2.51 0.00 0.00 175.55 172.71 1i11 n PRO 68 N 3.14 0.00 -0.21 -3.49 -0.04 -1.19 -4.19 135.00 129.01 1i11 n PRO 68 Ca 0.07 0.39 0.02 0.00 -0.04 0.00 0.00 63.50 63.94 1i11 n PRO 68 Cb 0.33 -0.90 0.09 0.00 -0.04 0.00 0.00 33.50 32.98 1i11 n PRO 68 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1i11 n ASP 69 N -1.67 2.11 -0.10 3.54 9.92 -1.26 -5.12 116.55 123.96 1i11 n ASP 69 Ca 0.00 -2.22 0.16 0.00 -0.53 0.00 0.00 54.79 52.20 1i11 n ASP 69 Cb 0.00 -0.54 0.86 0.00 -0.64 0.00 0.00 41.12 40.80 1i11 n ASP 69 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33