#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i11 s HIS 2 N 0.00 3.03 -0.50 6.00 3.76 -1.26 -4.92 115.29 121.40 1i11 s HIS 2 Ca 0.00 -1.02 0.08 0.00 -0.15 0.00 0.00 55.06 53.97 1i11 s HIS 2 Cb 0.00 -4.01 0.31 0.00 1.11 0.00 0.00 32.58 29.99 1i11 s HIS 2 CO 0.00 -1.28 0.78 -0.89 -0.85 0.00 0.00 174.74 172.50 1i11 n ILE 3 N 5.49 1.43 -1.25 0.60 5.41 -1.26 -4.94 119.36 124.84 1i11 n ILE 3 Ca -0.08 -4.99 -0.21 0.00 1.00 0.00 0.00 62.75 58.47 1i11 n ILE 3 Cb 0.43 -1.31 -0.11 0.00 -0.71 0.00 0.00 39.64 37.93 1i11 n ILE 3 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1i11 n LYS 4 N 0.38 2.40 -0.02 0.38 4.76 -1.26 -4.38 118.16 120.43 1i11 n LYS 4 Ca 0.28 -1.71 -0.22 0.00 -2.87 0.00 0.00 58.31 53.79 1i11 n LYS 4 Cb 0.49 -2.14 -0.13 0.00 -1.84 0.00 0.00 35.03 31.41 1i11 n LYS 4 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1i11 h ARG 5 N 3.23 0.21 -2.55 1.97 9.65 -1.98 -3.39 114.38 121.51 1i11 h ARG 5 Ca 0.34 -0.35 -0.31 0.00 -1.10 0.00 0.00 59.98 58.56 1i11 h ARG 5 Cb 1.08 0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.76 1i11 h ARG 5 CO 0.64 1.17 1.13 -0.35 2.80 0.00 0.00 179.97 185.36 1i11 n PRO 6 N -3.82 2.20 -4.20 0.20 -0.04 -1.26 -4.85 135.00 123.23 1i11 n PRO 6 Ca -0.30 -1.24 -0.32 0.00 -0.04 0.00 0.00 63.50 61.60 1i11 n PRO 6 Cb 0.93 -2.20 -0.08 0.00 -0.04 0.00 0.00 33.50 32.11 1i11 n PRO 6 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1i11 s MET 7 N 1.83 2.80 0.22 0.54 1.00 -1.26 -4.93 119.30 119.51 1i11 s MET 7 Ca 0.57 -0.64 -0.22 0.00 0.00 0.00 0.00 55.69 55.39 1i11 s MET 7 Cb 0.22 -2.68 0.05 0.00 0.00 0.00 0.00 34.83 32.42 1i11 s MET 7 CO -0.02 0.60 0.87 1.21 0.00 0.00 0.00 175.02 177.69 1i11 s ASN 8 N -1.83 -0.16 0.50 3.03 2.47 -1.26 -4.98 114.94 112.71 1i11 s ASN 8 Ca 0.22 -0.59 0.27 0.00 0.42 0.00 0.00 52.86 53.19 1i11 s ASN 8 Cb -0.12 0.61 1.36 0.00 -1.45 0.00 0.00 41.25 41.65 1i11 s ASN 8 CO 0.14 -1.15 1.89 0.00 -3.72 0.00 0.00 177.10 174.26 1i11 h ALA 9 N 2.00 2.62 0.30 1.71 0.00 -1.90 1.71 119.26 125.70 1i11 h ALA 9 Ca -0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1i11 h ALA 9 Cb 1.24 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1i11 h ALA 9 CO 0.27 -0.87 -0.14 0.35 0.00 0.00 0.00 179.25 178.86 1i11 h PHE 10 N 0.12 -0.37 0.00 0.00 3.57 -1.94 2.39 116.94 120.70 1i11 h PHE 10 Ca 0.42 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.91 1i11 h PHE 10 Cb 1.47 0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.33 1i11 h PHE 10 CO -0.00 -0.23 0.00 0.52 -2.23 0.00 0.00 178.31 176.37 1i11 h MET 11 N -0.76 0.00 0.10 1.11 0.00 -1.79 2.32 114.93 115.91 1i11 h MET 11 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 59.70 59.50 1i11 h MET 11 Cb 0.31 0.00 0.01 0.00 0.00 0.00 0.00 31.60 31.92 1i11 h MET 11 CO 0.07 0.00 -0.75 0.28 0.00 0.00 0.00 176.91 176.51 1i11 h VAL 12 N 0.00 1.47 0.03 -2.22 2.07 0.28 -2.41 116.25 115.47 1i11 h VAL 12 Ca 0.00 -2.45 -0.23 0.00 0.82 0.00 0.00 66.70 64.84 1i11 h VAL 12 Cb 0.13 3.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 1i11 h VAL 12 CO 0.00 0.67 -1.13 -0.25 0.02 0.00 0.00 177.57 176.88 1i11 h TRP 13 N -0.55 0.12 0.00 1.57 7.01 0.53 -3.19 115.95 121.44 1i11 h TRP 13 Ca -0.15 -0.08 0.00 0.00 2.11 0.00 0.00 58.89 60.77 1i11 h TRP 13 Cb 1.49 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.55 1i11 h TRP 13 CO 0.20 1.07 0.00 0.00 -2.79 0.00 0.00 178.44 176.92 1i11 h ALA 14 N 0.90 1.00 -0.40 2.65 0.00 0.37 -2.39 119.26 121.39 1i11 h ALA 14 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1i11 h ALA 14 Cb 1.84 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 1i11 h ALA 14 CO 0.14 0.00 -0.17 1.57 0.00 0.00 0.00 179.25 180.80 1i11 h LYS 15 N 0.00 0.74 0.11 0.00 2.10 -1.41 0.96 116.57 119.08 1i11 h LYS 15 Ca 0.00 -0.27 -0.23 0.00 -2.00 0.00 0.00 60.65 58.16 1i11 h LYS 15 Cb 0.52 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1i11 h LYS 15 CO 0.00 0.86 -1.12 0.22 -2.00 0.00 0.00 179.45 177.41 1i11 h ASP 16 N 0.66 0.37 -0.81 7.07 3.58 -1.70 -1.66 116.42 123.92 1i11 h ASP 16 Ca 0.10 -0.88 0.12 0.00 0.42 0.00 0.00 57.03 56.80 1i11 h ASP 16 Cb 0.65 -0.12 -0.06 0.00 1.72 0.00 0.00 39.33 41.52 1i11 h ASP 16 CO 0.05 1.50 0.53 -0.33 -2.88 0.00 0.00 179.24 178.11 1i11 h GLU 17 N -0.41 0.64 0.04 0.28 3.07 -1.32 2.62 114.58 119.50 1i11 h GLU 17 Ca -0.23 -0.04 -0.26 0.00 -0.50 0.00 0.00 59.36 58.33 1i11 h GLU 17 Cb 1.65 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 29.43 1i11 h GLU 17 CO 0.07 0.42 -1.07 0.07 -1.40 0.00 0.00 179.01 177.11 1i11 h ARG 18 N 0.66 0.53 -0.30 2.33 0.11 0.93 -0.26 114.38 118.38 1i11 h ARG 18 Ca 0.39 -0.62 -0.11 0.00 0.10 0.00 0.00 59.98 59.74 1i11 h ARG 18 Cb 0.60 0.19 -0.01 0.00 1.11 0.00 0.00 29.97 31.86 1i11 h ARG 18 CO -0.16 1.24 -0.26 0.07 0.10 0.00 0.00 179.97 180.96 1i11 h ARG 19 N 0.27 0.60 0.00 0.08 -0.00 0.17 1.88 114.38 117.39 1i11 h ARG 19 Ca -0.12 -0.24 -0.03 0.00 -0.00 0.00 0.00 59.98 59.59 1i11 h ARG 19 Cb 1.72 -0.03 -0.00 0.00 -0.00 0.00 0.00 29.97 31.66 1i11 h ARG 19 CO 0.20 0.80 -0.14 -0.22 -0.00 0.00 0.00 179.97 180.61 1i11 h LYS 20 N 0.52 0.00 0.01 0.08 1.63 0.46 -2.66 116.57 116.61 1i11 h LYS 20 Ca 0.07 0.00 -0.40 0.00 -0.85 0.00 0.00 60.65 59.47 1i11 h LYS 20 Cb 0.72 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.29 1i11 h LYS 20 CO 0.06 0.14 -2.26 -0.89 -3.45 0.00 0.00 179.45 173.04 1i11 n ILE 21 N -3.23 1.54 0.02 2.00 -0.00 -0.12 -4.16 119.36 115.41 1i11 n ILE 21 Ca 0.01 -0.37 0.22 0.00 -0.00 0.00 0.00 62.75 62.61 1i11 n ILE 21 Cb 0.44 -1.81 0.73 0.00 -0.00 0.00 0.00 39.64 38.99 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 -0.73 0.00 -0.97 1.39 5.85 0.29 1.74 115.31 122.88 1i11 h LEU 22 Ca -0.60 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.08 1i11 h LEU 22 Cb 1.64 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.64 1i11 h LEU 22 CO -0.29 0.00 0.24 0.06 -0.34 0.00 0.00 178.44 178.11 1i11 h GLN 23 N 0.00 0.99 -0.01 1.25 3.07 -1.63 0.84 115.11 119.62 1i11 h GLN 23 Ca 0.26 -0.18 0.00 0.00 0.09 0.00 0.00 58.65 58.82 1i11 h GLN 23 Cb 1.27 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 28.67 1i11 h GLN 23 CO -0.00 0.82 -0.23 0.00 0.09 0.00 0.00 178.83 179.51 1i11 n ALA 24 N -2.45 3.02 -2.89 0.06 0.00 0.52 -4.53 120.51 114.24 1i11 n ALA 24 Ca 0.06 -0.53 -0.12 0.00 0.00 0.00 0.00 53.44 52.85 1i11 n ALA 24 Cb 0.19 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.66 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 0.01 -2.61 0.83 0.00 3.72 0.26 -4.96 117.46 114.72 1i11 n PHE 25 Ca 0.13 -2.19 0.08 0.00 -0.05 0.00 0.00 57.45 55.41 1i11 n PHE 25 Cb 0.42 1.04 0.42 0.00 -0.94 0.00 0.00 39.48 40.42 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 1.90 0.33 -0.08 -1.08 -0.04 0.14 -1.96 135.00 134.22 1i11 n PRO 26 Ca 0.15 0.09 -0.08 0.00 -0.04 0.00 0.00 63.50 63.61 1i11 n PRO 26 Cb 0.59 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.41 1i11 n PRO 26 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1i11 n ASP 27 N -1.17 0.93 -4.56 3.54 8.00 -1.26 -4.77 116.55 117.25 1i11 n ASP 27 Ca 0.09 -0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.42 1i11 n ASP 27 Cb 0.10 0.88 -0.06 0.00 -0.02 0.00 0.00 41.12 42.01 1i11 n ASP 27 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1i11 s MET 28 N -2.40 1.81 0.00 -1.24 1.75 -0.83 -4.89 119.30 113.50 1i11 s MET 28 Ca -0.09 0.33 0.00 0.00 -1.25 0.00 0.00 55.69 54.68 1i11 s MET 28 Cb 0.05 -4.84 0.00 0.00 2.84 0.00 0.00 34.83 32.88 1i11 s MET 28 CO 0.68 -4.21 0.00 -2.39 -0.65 0.00 0.00 175.02 168.44 1i11 n HIS 29 N 17.65 -3.04 0.03 4.11 1.44 -1.26 -4.17 115.22 129.98 1i11 n HIS 29 Ca 0.45 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 56.12 1i11 n HIS 29 Cb 0.44 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.52 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 -0.18 -0.42 -1.01 4.39 -1.07 -1.97 0.54 115.58 115.86 1i11 h ASN 30 Ca 0.00 0.04 0.29 0.00 0.07 0.00 0.00 56.30 56.71 1i11 h ASN 30 Cb 0.00 0.15 -0.04 0.00 -2.07 0.00 0.00 38.32 36.36 1i11 h ASN 30 CO 0.00 -0.15 1.21 -1.54 0.07 0.00 0.00 177.43 177.02 1i11 n SER 31 N -3.23 0.00 -0.09 6.14 3.41 -1.26 -0.07 113.62 118.52 1i11 n SER 31 Ca -0.02 0.75 -0.13 0.00 -0.26 0.00 0.00 58.87 59.20 1i11 n SER 31 Cb 0.11 -0.25 -0.04 0.00 -0.26 0.00 0.00 64.21 63.76 1i11 n SER 31 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1i11 n ASN 32 N -3.21 1.87 -0.23 4.04 4.13 -0.49 -4.34 115.26 117.03 1i11 n ASN 32 Ca 0.23 0.32 0.19 0.00 1.68 0.00 0.00 54.58 57.00 1i11 n ASN 32 Cb 1.51 -0.72 0.53 0.00 -1.54 0.00 0.00 39.78 39.56 1i11 n ASN 32 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1i11 h ILE 33 N -0.93 0.68 -0.69 2.41 1.08 0.84 0.14 117.51 121.04 1i11 h ILE 33 Ca -0.17 -0.13 0.12 0.00 -0.39 0.00 0.00 64.86 64.30 1i11 h ILE 33 Cb 1.09 0.28 -0.09 0.00 -3.07 0.00 0.00 36.82 35.03 1i11 h ILE 33 CO -0.10 0.07 0.26 0.28 -0.69 0.00 0.00 178.15 177.96 1i11 h SER 34 N 0.37 0.23 0.43 1.72 0.02 -0.66 1.09 113.55 116.74 1i11 h SER 34 Ca 0.45 0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 61.45 1i11 h SER 34 Cb 1.18 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 1i11 h SER 34 CO -0.16 0.10 -0.28 0.11 -1.14 0.00 0.00 176.83 175.47 1i11 h LYS 35 N 0.41 0.00 0.26 3.45 1.57 -0.92 0.37 116.57 121.71 1i11 h LYS 35 Ca 0.37 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.14 1i11 h LYS 35 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1i11 h LYS 35 CO -0.37 0.28 -0.12 0.82 -0.57 0.00 0.00 179.45 179.48 1i11 h ILE 36 N 0.00 0.28 0.68 1.86 5.03 0.78 -1.57 117.51 124.56 1i11 h ILE 36 Ca -0.00 -0.86 -0.03 0.00 -0.12 0.00 0.00 64.86 63.85 1i11 h ILE 36 Cb 0.57 0.47 -0.01 0.00 -3.03 0.00 0.00 36.82 34.82 1i11 h ILE 36 CO 0.04 0.07 -0.48 -0.07 -0.68 0.00 0.00 178.15 177.03 1i11 h LEU 37 N -1.04 -1.24 -0.98 1.44 3.38 0.95 1.29 115.31 119.11 1i11 h LEU 37 Ca -0.04 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1i11 h LEU 37 Cb 0.39 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1i11 h LEU 37 CO 0.06 -0.70 0.14 0.61 0.09 0.00 0.00 178.44 178.64 1i11 n GLY 38 N -1.58 -0.69 0.01 0.83 0.00 0.13 0.21 105.19 104.09 1i11 n GLY 38 Ca -0.13 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1i11 n GLY 38 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1i11 n SER 39 N -2.04 0.41 0.01 1.61 2.88 -0.07 -3.05 113.62 113.37 1i11 n SER 39 Ca -0.01 -0.11 -0.10 0.00 -1.33 0.00 0.00 58.87 57.32 1i11 n SER 39 Cb 0.16 1.83 -0.14 0.00 -0.75 0.00 0.00 64.21 65.31 1i11 n SER 39 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1i11 h ARG 40 N 0.00 0.05 0.55 -1.46 2.47 1.06 -2.89 114.38 114.15 1i11 h ARG 40 Ca 0.00 -0.09 -0.03 0.00 -1.26 0.00 0.00 59.98 58.61 1i11 h ARG 40 Cb 0.88 0.03 0.01 0.00 -1.65 0.00 0.00 29.97 29.24 1i11 h ARG 40 CO 0.00 0.73 -0.26 2.35 0.56 0.00 0.00 179.97 183.34 1i11 h TRP 41 N 0.01 -0.68 0.00 3.04 2.91 0.23 -2.72 115.95 118.74 1i11 h TRP 41 Ca -0.23 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 59.77 1i11 h TRP 41 Cb 1.97 0.22 -0.00 0.00 -0.51 0.00 0.00 29.16 30.84 1i11 h TRP 41 CO 0.01 -0.39 -0.01 0.87 -1.03 0.00 0.00 178.44 177.90 1i11 h LYS 42 N -1.15 0.00 -0.01 2.65 1.57 -1.70 0.72 116.57 118.66 1i11 h LYS 42 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1i11 h LYS 42 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1i11 h LYS 42 CO 0.12 0.01 0.00 0.00 -0.57 0.00 0.00 179.45 179.01 1i11 n ALA 43 N -2.18 2.55 -1.66 3.86 0.00 -1.05 -4.67 120.51 117.37 1i11 n ALA 43 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1i11 n ALA 43 Cb 0.09 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1i11 n ALA 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1i11 n MET 44 N -0.62 0.42 0.00 0.00 2.81 0.25 -5.00 117.12 114.98 1i11 n MET 44 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1i11 n MET 44 Cb 0.04 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.55 1i11 n MET 44 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1i11 n THR 45 N 0.00 0.00 0.00 2.03 -2.24 -1.26 -5.01 114.28 107.80 1i11 n THR 45 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1i11 n THR 45 Cb 0.00 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1i11 n THR 45 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1i11 n ASN 46 N 0.00 0.00 0.14 3.42 2.85 -1.26 -4.15 115.26 116.26 1i11 n ASN 46 Ca 0.00 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.59 1i11 n ASN 46 Cb 0.49 0.00 0.22 0.00 1.24 0.00 0.00 39.78 41.73 1i11 n ASN 46 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1i11 h LEU 47 N 0.00 0.00 0.00 1.20 7.12 -2.00 -3.25 115.31 118.37 1i11 h LEU 47 Ca 0.00 -0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.98 1i11 h LEU 47 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1i11 h LEU 47 CO 0.00 0.02 0.00 1.21 -0.13 0.00 0.00 178.44 179.54 1i11 n GLU 48 N -2.63 0.31 0.00 1.25 4.07 -1.26 -3.17 120.64 119.20 1i11 n GLU 48 Ca 0.04 0.06 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 1i11 n GLU 48 Cb 0.49 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.37 1i11 n GLU 48 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1i11 n LYS 49 N -1.31 0.97 -0.24 5.31 4.76 -1.23 -4.11 118.16 122.32 1i11 n LYS 49 Ca 0.11 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.58 1i11 n LYS 49 Cb 0.20 -1.13 0.16 0.00 -1.84 0.00 0.00 35.03 32.42 1i11 n LYS 49 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1i11 h GLN 50 N 0.01 0.37 0.03 1.97 4.20 -1.83 0.48 115.11 120.33 1i11 h GLN 50 Ca 0.00 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 1i11 h GLN 50 Cb 0.13 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 27.84 1i11 h GLN 50 CO 0.00 0.25 -0.39 -1.00 -0.67 0.00 0.00 178.83 177.01 1i11 h PRO 51 N 0.38 0.22 0.00 1.46 0.13 -1.91 -2.92 132.00 129.36 1i11 h PRO 51 Ca 0.38 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1i11 h PRO 51 Cb 0.56 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1i11 h PRO 51 CO -0.40 1.03 0.00 0.66 -0.23 0.00 0.00 178.00 179.06 1i11 n TYR 52 N -4.39 0.56 0.07 1.56 4.01 -1.05 -0.80 117.16 117.12 1i11 n TYR 52 Ca -0.11 0.25 -0.11 0.00 -0.16 0.00 0.00 57.90 57.78 1i11 n TYR 52 Cb 0.60 -0.90 -0.13 0.00 -0.31 0.00 0.00 39.34 38.60 1i11 n TYR 52 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1i11 h TYR 53 N 0.00 0.18 0.23 -0.72 -1.99 0.07 -3.13 116.97 111.62 1i11 h TYR 53 Ca 0.00 -0.13 -0.01 0.00 2.00 0.00 0.00 58.73 60.58 1i11 h TYR 53 Cb 0.18 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.90 1i11 h TYR 53 CO 0.00 1.12 -0.11 0.93 -0.00 0.00 0.00 178.16 180.10 1i11 h GLU 54 N 0.03 -0.30 0.00 4.88 4.39 -0.78 -1.73 114.58 121.07 1i11 h GLU 54 Ca -0.09 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1i11 h GLU 54 Cb 1.87 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.59 1i11 h GLU 54 CO 0.15 0.06 0.00 -0.85 -1.16 0.00 0.00 179.01 177.20 1i11 n GLU 55 N -5.05 0.13 -0.03 2.33 0.28 -1.10 -2.19 120.64 115.00 1i11 n GLU 55 Ca -0.09 0.62 -0.00 0.00 -0.16 0.00 0.00 57.16 57.53 1i11 n GLU 55 Cb 0.26 -1.91 -0.00 0.00 1.43 0.00 0.00 31.44 31.21 1i11 n GLU 55 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1i11 h GLN 56 N 0.00 -0.01 -1.05 3.44 5.75 -1.40 -3.10 115.11 118.74 1i11 h GLN 56 Ca 0.00 0.00 0.31 0.00 -0.15 0.00 0.00 58.65 58.81 1i11 h GLN 56 Cb 0.01 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 1i11 h GLN 56 CO 0.00 -0.01 0.95 0.00 -2.65 0.00 0.00 178.83 177.12 1i11 h ALA 57 N -1.25 2.93 -0.24 3.38 0.00 -0.86 1.17 119.26 124.39 1i11 h ALA 57 Ca -0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1i11 h ALA 57 Cb 0.01 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1i11 h ALA 57 CO 0.00 -1.50 -0.21 0.00 0.00 0.00 0.00 179.25 177.55 1i11 h ARG 58 N 0.00 0.57 -0.42 0.00 2.47 -1.47 -2.47 114.38 113.05 1i11 h ARG 58 Ca 0.50 -0.29 0.12 0.00 -1.26 0.00 0.00 59.98 59.05 1i11 h ARG 58 Cb 2.40 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 30.71 1i11 h ARG 58 CO -0.01 0.87 0.37 -0.07 0.56 0.00 0.00 179.97 181.69 1i11 h LEU 59 N 0.27 0.00 -0.29 3.04 3.38 0.15 0.52 115.31 122.37 1i11 h LEU 59 Ca 0.04 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 1i11 h LEU 59 Cb 0.76 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1i11 h LEU 59 CO 0.05 0.00 -0.77 0.28 0.09 0.00 0.00 178.44 178.09 1i11 h SER 60 N 0.00 0.00 -0.34 -0.43 0.02 -1.20 -0.26 113.55 111.33 1i11 h SER 60 Ca 0.20 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1i11 h SER 60 Cb 0.93 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 1i11 h SER 60 CO -0.00 0.77 0.10 0.50 -1.14 0.00 0.00 176.83 177.06 1i11 h LYS 61 N 0.00 0.54 0.20 3.45 1.63 0.26 -2.92 116.57 119.73 1i11 h LYS 61 Ca -0.01 -0.12 -0.32 0.00 -0.85 0.00 0.00 60.65 59.35 1i11 h LYS 61 Cb 1.45 -0.08 0.02 0.00 -0.60 0.00 0.00 32.23 33.03 1i11 h LYS 61 CO 0.10 0.57 -1.45 1.96 -3.45 0.00 0.00 179.45 177.19 1i11 h GLN 62 N 0.40 0.43 -0.62 1.90 4.20 -1.49 -2.95 115.11 116.99 1i11 h GLN 62 Ca 0.11 -0.74 0.11 0.00 0.06 0.00 0.00 58.65 58.20 1i11 h GLN 62 Cb 0.26 0.27 -0.12 0.00 0.30 0.00 0.00 27.48 28.20 1i11 h GLN 62 CO -0.00 1.35 -0.29 1.25 -0.67 0.00 0.00 178.83 180.46 1i11 h HIS 63 N 0.12 -0.77 -0.01 2.96 2.76 -1.00 0.47 115.15 119.68 1i11 h HIS 63 Ca -0.23 0.07 -0.17 0.00 -2.20 0.00 0.00 60.37 57.84 1i11 h HIS 63 Cb 2.10 0.43 -0.02 0.00 1.55 0.00 0.00 27.41 31.47 1i11 h HIS 63 CO 0.10 -0.36 -0.75 -0.07 -1.30 0.00 0.00 177.93 175.55 1i11 h LEU 64 N -0.12 0.12 0.00 0.26 -0.00 -1.63 -2.45 115.31 111.48 1i11 h LEU 64 Ca 0.26 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 1i11 h LEU 64 Cb 0.54 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 1i11 h LEU 64 CO -0.69 0.83 0.00 -0.62 -0.00 0.00 0.00 178.44 177.96 1i11 n GLU 65 N -3.70 0.14 -0.04 1.13 1.02 0.35 -0.36 120.64 119.17 1i11 n GLU 65 Ca -0.02 0.16 -0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1i11 n GLU 65 Cb 0.72 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.64 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 0.00 0.00 3.49 1.57 0.31 -3.44 116.57 118.50 1i11 h LYS 66 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1i11 h LYS 66 Cb 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1i11 h LYS 66 CO 0.00 0.00 -1.08 2.48 -0.57 0.00 0.00 179.45 180.28 1i11 n TYR 67 N -4.41 0.00 0.02 -1.35 4.11 -1.24 -4.84 117.16 109.45 1i11 n TYR 67 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.80 1i11 n TYR 67 Cb 0.01 -0.05 -0.08 0.00 -0.00 0.00 0.00 39.34 39.22 1i11 n TYR 67 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.86 175.86 1i11 h PRO 68 N 0.00 -0.14 -2.91 -3.48 0.13 -1.80 -3.31 132.00 120.49 1i11 h PRO 68 Ca -0.03 0.01 -0.22 0.00 -0.87 0.00 0.00 66.00 64.89 1i11 h PRO 68 Cb 1.05 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1i11 h PRO 68 CO -0.00 0.33 1.15 -0.25 -0.23 0.00 0.00 178.00 178.99 1i11 n ASP 69 N -4.85 3.65 0.00 1.44 9.92 0.52 -5.04 116.55 122.19 1i11 n ASP 69 Ca -0.07 -2.15 0.02 0.00 -0.53 0.00 0.00 54.79 52.06 1i11 n ASP 69 Cb 0.27 -0.90 0.14 0.00 -0.64 0.00 0.00 41.12 39.99 1i11 n ASP 69 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11