#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 3.14 -3.02 6.00 -0.00 -1.26 -4.80 115.22 115.28 1i11 n HIS 2 Ca 0.00 -2.61 -0.33 0.00 0.46 0.00 0.00 57.72 55.24 1i11 n HIS 2 Cb 0.00 -0.80 -0.03 0.00 -0.12 0.00 0.00 29.99 29.05 1i11 n HIS 2 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 1i11 n ILE 3 N -0.53 3.98 -2.08 3.57 -5.35 -1.26 -4.95 119.36 112.75 1i11 n ILE 3 Ca 0.49 -5.64 -0.42 0.00 -0.27 0.00 0.00 62.75 56.90 1i11 n ILE 3 Cb 0.39 -1.76 0.00 0.00 -1.74 0.00 0.00 39.64 36.53 1i11 n ILE 3 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1i11 n LYS 4 N 0.40 3.00 -3.53 6.28 4.81 -1.26 -4.80 118.16 123.06 1i11 n LYS 4 Ca 0.33 -2.89 -0.29 0.00 -0.87 0.00 0.00 58.31 54.60 1i11 n LYS 4 Cb 0.36 -3.37 -0.08 0.00 0.02 0.00 0.00 35.03 31.96 1i11 n LYS 4 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1i11 n ARG 5 N 6.98 2.51 -0.11 1.64 -4.01 -1.26 -4.89 116.66 117.52 1i11 n ARG 5 Ca 0.51 -4.61 -0.02 0.00 -1.04 0.00 0.00 57.85 52.68 1i11 n ARG 5 Cb 0.42 -2.30 0.02 0.00 -3.04 0.00 0.00 32.46 27.56 1i11 n ARG 5 CO 0.00 0.00 0.00 -0.35 -3.04 0.00 0.00 177.63 174.24 1i11 n PRO 6 N 1.26 1.11 -3.76 2.89 -0.04 -1.26 -4.82 135.00 130.39 1i11 n PRO 6 Ca 0.27 -0.26 -0.25 0.00 -0.04 0.00 0.00 63.50 63.22 1i11 n PRO 6 Cb 0.39 -1.11 -0.00 0.00 -0.04 0.00 0.00 33.50 32.73 1i11 n PRO 6 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i11 s MET 7 N -0.31 2.30 0.00 0.54 0.23 -1.26 -4.95 119.30 115.85 1i11 s MET 7 Ca 0.05 -1.91 0.00 0.00 -1.03 0.00 0.00 55.69 52.80 1i11 s MET 7 Cb 0.04 -2.19 0.00 0.00 -1.53 0.00 0.00 34.83 31.15 1i11 s MET 7 CO 0.01 -0.57 0.00 -1.71 -2.03 0.00 0.00 175.02 170.72 1i11 n ASN 8 N -1.77 0.00 -0.13 -1.18 2.85 -1.26 -4.89 115.26 108.88 1i11 n ASN 8 Ca 0.01 0.00 0.14 0.00 -0.11 0.00 0.00 54.58 54.62 1i11 n ASN 8 Cb 0.64 0.00 0.51 0.00 1.24 0.00 0.00 39.78 42.16 1i11 n ASN 8 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1i11 h ALA 9 N 0.00 2.08 0.42 5.20 0.00 -1.90 1.85 119.26 126.90 1i11 h ALA 9 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1i11 h ALA 9 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1i11 h ALA 9 CO 0.00 -0.25 -0.20 0.35 0.00 0.00 0.00 179.25 179.15 1i11 h PHE 10 N 0.41 -0.52 0.00 0.00 3.57 -1.93 2.08 116.94 120.54 1i11 h PHE 10 Ca 0.33 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.82 1i11 h PHE 10 Cb 0.72 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.63 1i11 h PHE 10 CO -0.00 -0.32 0.00 0.52 -2.23 0.00 0.00 178.31 176.28 1i11 h MET 11 N -1.02 0.00 0.09 1.11 2.86 -1.79 2.24 114.93 118.42 1i11 h MET 11 Ca -0.06 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.41 1i11 h MET 11 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1i11 h MET 11 CO 0.09 0.00 -0.86 0.28 1.06 0.00 0.00 176.91 177.49 1i11 h VAL 12 N 0.00 1.38 0.08 -2.22 2.07 0.32 -2.47 116.25 115.40 1i11 h VAL 12 Ca 0.00 -2.42 -0.25 0.00 0.82 0.00 0.00 66.70 64.84 1i11 h VAL 12 Cb 0.13 3.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 1i11 h VAL 12 CO 0.00 0.65 -1.18 -0.25 0.02 0.00 0.00 177.57 176.81 1i11 h TRP 13 N -0.55 0.31 0.00 1.57 7.01 0.47 -3.27 115.95 121.48 1i11 h TRP 13 Ca -0.18 -0.23 -0.09 0.00 2.11 0.00 0.00 58.89 60.51 1i11 h TRP 13 Cb 1.51 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 28.54 1i11 h TRP 13 CO 0.18 1.18 -0.42 0.00 -2.79 0.00 0.00 178.44 176.60 1i11 h ALA 14 N 0.73 1.00 0.00 2.65 0.00 0.35 0.21 119.26 124.20 1i11 h ALA 14 Ca -0.10 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 1i11 h ALA 14 Cb 1.91 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1i11 h ALA 14 CO 0.17 0.52 -0.27 1.57 0.00 0.00 0.00 179.25 181.25 1i11 h LYS 15 N 0.00 0.00 0.01 0.00 2.10 -1.49 1.37 116.57 118.56 1i11 h LYS 15 Ca -0.00 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.31 1i11 h LYS 15 Cb 0.93 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.20 1i11 h LYS 15 CO 0.05 0.27 -2.09 -3.47 -2.00 0.00 0.00 179.45 172.21 1i11 n ASP 16 N -3.91 0.67 -0.05 7.07 2.03 -1.09 -2.71 116.55 118.56 1i11 n ASP 16 Ca -0.02 0.17 -0.08 0.00 0.52 0.00 0.00 54.79 55.38 1i11 n ASP 16 Cb 0.35 0.32 0.08 0.00 -0.72 0.00 0.00 41.12 41.14 1i11 n ASP 16 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1i11 h GLU 17 N 0.01 0.70 -0.02 -0.67 4.39 -0.07 2.11 114.58 121.02 1i11 h GLU 17 Ca -0.44 -0.33 -0.23 0.00 0.34 0.00 0.00 59.36 58.71 1i11 h GLU 17 Cb 2.11 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.76 1i11 h GLU 17 CO 0.04 0.93 -0.92 0.07 -1.16 0.00 0.00 179.01 177.98 1i11 h ARG 18 N 0.59 0.48 -0.43 2.33 -0.00 0.17 0.70 114.38 118.21 1i11 h ARG 18 Ca 0.06 -0.49 -0.12 0.00 -0.00 0.00 0.00 59.98 59.43 1i11 h ARG 18 Cb 0.85 0.13 -0.01 0.00 -0.00 0.00 0.00 29.97 30.94 1i11 h ARG 18 CO 0.07 1.13 -0.21 0.00 -0.00 0.00 0.00 179.97 180.97 1i11 h ARG 19 N 0.28 0.85 0.00 0.08 2.47 -1.27 1.85 114.38 118.64 1i11 h ARG 19 Ca -0.08 -0.34 -0.02 0.00 -1.26 0.00 0.00 59.98 58.28 1i11 h ARG 19 Cb 1.55 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 29.83 1i11 h ARG 19 CO 0.16 0.98 -0.08 -0.22 0.56 0.00 0.00 179.97 181.37 1i11 h LYS 20 N 0.74 0.00 0.01 0.04 1.63 0.38 -2.94 116.57 116.44 1i11 h LYS 20 Ca 0.10 0.00 -0.40 0.00 -0.85 0.00 0.00 60.65 59.51 1i11 h LYS 20 Cb 0.74 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.31 1i11 h LYS 20 CO 0.06 0.08 -2.27 -0.89 -3.45 0.00 0.00 179.45 172.98 1i11 n ILE 21 N -3.19 1.55 -0.24 2.00 -0.00 0.24 -4.05 119.36 115.66 1i11 n ILE 21 Ca 0.01 -0.41 0.29 0.00 -0.00 0.00 0.00 62.75 62.64 1i11 n ILE 21 Cb 0.39 -1.77 0.68 0.00 -0.00 0.00 0.00 39.64 38.94 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 -0.61 0.10 -0.90 1.39 5.85 0.28 2.59 115.31 124.00 1i11 h LEU 22 Ca -0.59 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.08 1i11 h LEU 22 Cb 1.69 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.69 1i11 h LEU 22 CO -0.25 0.03 0.10 0.06 -0.34 0.00 0.00 178.44 178.03 1i11 h GLN 23 N 0.09 0.91 0.00 1.25 3.07 -1.68 1.88 115.11 120.62 1i11 h GLN 23 Ca 0.49 -0.21 0.00 0.00 0.09 0.00 0.00 58.65 59.02 1i11 h GLN 23 Cb 1.79 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 29.23 1i11 h GLN 23 CO -0.06 0.84 -0.54 0.00 0.09 0.00 0.00 178.83 179.17 1i11 h ALA 24 N 1.24 0.70 -1.59 0.06 0.00 0.33 -3.38 119.26 116.63 1i11 h ALA 24 Ca 0.18 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.62 1i11 h ALA 24 Cb 0.37 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 17.82 1i11 h ALA 24 CO 0.01 0.00 -1.01 1.19 0.00 0.00 0.00 179.25 179.44 1i11 n PHE 25 N -2.59 -0.79 1.14 0.00 3.72 0.70 -4.93 117.46 114.72 1i11 n PHE 25 Ca 0.02 -3.29 0.08 0.00 -0.05 0.00 0.00 57.45 54.21 1i11 n PHE 25 Cb 0.50 0.03 0.49 0.00 -0.94 0.00 0.00 39.48 39.56 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 1.04 0.57 -0.08 -1.08 -0.04 0.63 -1.99 135.00 134.04 1i11 n PRO 26 Ca 0.19 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.56 1i11 n PRO 26 Cb 0.59 -1.46 -0.12 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.96 1.35 -4.55 3.54 -0.08 -1.26 -4.80 116.55 109.80 1i11 n ASP 27 Ca 0.13 -0.03 -0.37 0.00 -1.51 0.00 0.00 54.79 53.01 1i11 n ASP 27 Cb 0.06 0.62 -0.03 0.00 2.34 0.00 0.00 41.12 44.11 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 -2.39 2.25 0.31 -0.67 1.75 -0.84 -4.85 119.30 114.86 1i11 s MET 28 Ca -0.12 1.21 -0.29 0.00 -1.25 0.00 0.00 55.69 55.24 1i11 s MET 28 Cb 0.05 -4.53 -0.13 0.00 2.84 0.00 0.00 34.83 33.07 1i11 s MET 28 CO 0.62 -3.12 1.27 1.58 -0.65 0.00 0.00 175.02 174.71 1i11 n HIS 29 N 15.02 2.10 -0.13 4.11 -0.00 -1.26 -4.51 115.22 130.55 1i11 n HIS 29 Ca 0.32 0.56 0.27 0.00 0.46 0.00 0.00 57.72 59.33 1i11 n HIS 29 Cb 0.54 -2.40 0.72 0.00 -0.12 0.00 0.00 29.99 28.73 1i11 n HIS 29 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 1i11 h ASN 30 N 2.75 0.00 0.00 0.26 4.21 -1.94 2.10 115.58 122.96 1i11 h ASN 30 Ca -0.45 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.06 1i11 h ASN 30 Cb 1.29 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.49 1i11 h ASN 30 CO 0.65 0.00 0.12 0.77 -1.29 0.00 0.00 177.43 177.68 1i11 h SER 31 N 0.00 0.00 0.00 5.81 4.64 -1.99 -2.69 113.55 119.33 1i11 h SER 31 Ca 0.38 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.62 1i11 h SER 31 Cb 1.64 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.71 1i11 h SER 31 CO -0.00 0.00 -1.33 0.59 -0.87 0.00 0.00 176.83 175.21 1i11 n ASN 32 N -2.75 3.66 0.22 4.97 3.02 0.69 -4.53 115.26 120.53 1i11 n ASN 32 Ca -0.02 -0.02 0.16 0.00 -0.03 0.00 0.00 54.58 54.67 1i11 n ASN 32 Cb 0.18 0.18 0.69 0.00 -0.61 0.00 0.00 39.78 40.22 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 0.00 0.13 -0.59 2.41 1.08 -0.66 0.10 117.51 119.98 1i11 h ILE 33 Ca -0.13 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.41 1i11 h ILE 33 Cb 1.24 0.55 -0.06 0.00 -3.07 0.00 0.00 36.82 35.48 1i11 h ILE 33 CO -0.01 0.00 0.27 0.28 -0.69 0.00 0.00 178.15 178.00 1i11 h SER 34 N 0.00 0.35 1.07 1.72 0.02 -1.75 0.41 113.55 115.38 1i11 h SER 34 Ca 0.10 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1i11 h SER 34 Cb 1.08 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 1i11 h SER 34 CO -0.00 0.23 -0.36 0.07 -1.14 0.00 0.00 176.83 175.63 1i11 h LYS 35 N 0.51 0.00 -0.02 3.45 2.10 -1.10 -1.79 116.57 119.71 1i11 h LYS 35 Ca 0.28 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.92 1i11 h LYS 35 Cb 0.25 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1i11 h LYS 35 CO -0.23 0.36 -0.00 0.82 -2.00 0.00 0.00 179.45 178.40 1i11 h ILE 36 N 0.00 1.26 0.92 0.07 5.03 -0.63 0.19 117.51 124.35 1i11 h ILE 36 Ca -0.00 -0.78 -0.05 0.00 -0.12 0.00 0.00 64.86 63.91 1i11 h ILE 36 Cb 0.99 1.75 0.01 0.00 -3.03 0.00 0.00 36.82 36.53 1i11 h ILE 36 CO 0.05 0.21 -0.44 -0.07 -0.68 0.00 0.00 178.15 177.21 1i11 h LEU 37 N -0.28 -1.05 -1.15 1.44 3.38 -0.20 1.70 115.31 119.15 1i11 h LEU 37 Ca 0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1i11 h LEU 37 Cb 0.34 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1i11 h LEU 37 CO 0.00 -0.72 0.04 0.61 0.09 0.00 0.00 178.44 178.46 1i11 n GLY 38 N -1.43 -0.77 0.00 0.83 0.00 -0.69 0.17 105.19 103.30 1i11 n GLY 38 Ca -0.15 0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1i11 n GLY 38 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i11 n SER 39 N -2.11 0.72 0.01 1.61 3.41 0.66 -3.16 113.62 114.77 1i11 n SER 39 Ca -0.01 -0.44 -0.14 0.00 -0.26 0.00 0.00 58.87 58.02 1i11 n SER 39 Cb 0.07 1.47 -0.14 0.00 -0.26 0.00 0.00 64.21 65.35 1i11 n SER 39 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1i11 h ARG 40 N 0.00 0.14 0.47 4.33 2.47 1.06 -2.67 114.38 120.19 1i11 h ARG 40 Ca 0.00 -0.23 -0.02 0.00 -1.26 0.00 0.00 59.98 58.46 1i11 h ARG 40 Cb 0.68 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 1i11 h ARG 40 CO 0.00 0.88 -0.23 2.35 0.56 0.00 0.00 179.97 183.53 1i11 h TRP 41 N 0.04 -0.59 0.00 3.04 2.91 0.15 0.29 115.95 121.79 1i11 h TRP 41 Ca -0.29 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 59.71 1i11 h TRP 41 Cb 2.01 0.20 -0.00 0.00 -0.51 0.00 0.00 29.16 30.85 1i11 h TRP 41 CO 0.04 -0.27 -0.02 0.87 -1.03 0.00 0.00 178.44 178.02 1i11 h LYS 42 N -0.87 0.00 -0.02 2.65 1.57 -1.68 0.48 116.57 118.69 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 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1i11 h LYS 42 CO 0.11 0.02 0.00 0.00 -0.57 0.00 0.00 179.45 179.01 1i11 n ALA 43 N -2.21 2.58 -1.42 3.86 0.00 -0.69 -4.86 120.51 117.77 1i11 n ALA 43 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1i11 n ALA 43 Cb 0.12 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 0.07 2.12 -3.92 0.00 0.00 0.17 -4.99 117.12 110.56 1i11 n MET 44 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.59 1i11 n MET 44 Cb 0.33 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.40 1i11 n MET 44 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1i11 s THR 45 N 0.92 1.92 0.33 3.17 -4.23 -1.26 -4.96 115.64 111.53 1i11 s THR 45 Ca 0.00 -2.24 0.29 0.00 -1.18 0.00 0.00 61.69 58.55 1i11 s THR 45 Cb 0.00 -2.41 0.42 0.00 1.34 0.00 0.00 72.50 71.85 1i11 s THR 45 CO 0.00 -0.66 0.99 -3.20 -0.54 0.00 0.00 174.62 171.21 1i11 n ASN 46 N 4.22 0.04 0.24 3.99 2.85 -1.26 0.42 115.26 125.76 1i11 n ASN 46 Ca 0.03 0.71 0.13 0.00 -0.11 0.00 0.00 54.58 55.34 1i11 n ASN 46 Cb 0.40 -0.35 0.38 0.00 1.24 0.00 0.00 39.78 41.45 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 -0.45 1.20 5.85 -2.02 -3.07 115.31 116.83 1i11 h LEU 47 Ca 0.59 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.31 1i11 h LEU 47 Cb 2.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.25 1i11 h LEU 47 CO -0.10 0.05 0.00 -0.62 -0.34 0.00 0.00 178.44 177.43 1i11 n GLU 48 N -3.13 1.28 -0.24 1.25 -0.58 1.41 -4.01 120.64 116.62 1i11 n GLU 48 Ca 0.02 -0.44 -0.02 0.00 -0.42 0.00 0.00 57.16 56.31 1i11 n GLU 48 Cb 0.45 -1.11 0.07 0.00 -0.57 0.00 0.00 31.44 30.28 1i11 n GLU 48 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1i11 n LYS 49 N -0.16 1.64 0.03 3.49 5.02 -1.16 -4.34 118.16 122.68 1i11 n LYS 49 Ca 0.05 -0.72 -0.12 0.00 -2.02 0.00 0.00 58.31 55.49 1i11 n LYS 49 Cb 0.11 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.54 1i11 n LYS 49 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1i11 h GLN 50 N 0.63 -0.01 0.02 1.97 4.20 -1.87 -2.92 115.11 117.12 1i11 h GLN 50 Ca 0.07 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1i11 h GLN 50 Cb 1.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.89 1i11 h GLN 50 CO 0.18 0.13 -0.12 -1.00 -0.67 0.00 0.00 178.83 177.35 1i11 h PRO 51 N -0.14 0.05 0.00 1.46 0.13 -1.95 -3.29 132.00 128.25 1i11 h PRO 51 Ca -0.00 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1i11 h PRO 51 Cb 0.14 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.30 1i11 h PRO 51 CO 0.00 1.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.44 1i11 n TYR 52 N -4.55 0.00 0.06 1.56 4.01 -1.26 -2.39 117.16 114.59 1i11 n TYR 52 Ca -0.10 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.42 1i11 n TYR 52 Cb 0.51 -0.37 -0.15 0.00 -0.31 0.00 0.00 39.34 39.02 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 0.62 -0.27 -0.72 -1.99 -1.58 -3.31 116.97 109.72 1i11 h TYR 53 Ca 0.00 -0.45 -0.08 0.00 2.00 0.00 0.00 58.73 60.20 1i11 h TYR 53 Cb 0.15 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.84 1i11 h TYR 53 CO 0.00 1.51 -0.14 0.93 -0.00 0.00 0.00 178.16 180.46 1i11 h GLU 54 N -0.17 0.58 0.00 4.88 4.39 -1.54 -2.60 114.58 120.11 1i11 h GLU 54 Ca -0.26 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1i11 h GLU 54 Cb 1.86 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.49 1i11 h GLU 54 CO 0.14 0.83 0.04 0.93 -1.16 0.00 0.00 179.01 179.79 1i11 h GLU 55 N 0.32 0.00 0.00 2.33 4.39 -1.68 -2.20 114.58 117.74 1i11 h GLU 55 Ca 0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1i11 h GLU 55 Cb 0.66 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1i11 h GLU 55 CO 0.04 0.00 -0.11 -0.56 -1.16 0.00 0.00 179.01 177.22 1i11 h GLN 56 N 0.00 0.00 -0.78 2.33 3.07 -1.55 -3.10 115.11 115.08 1i11 h GLN 56 Ca 0.00 0.00 0.23 0.00 0.09 0.00 0.00 58.65 58.97 1i11 h GLN 56 Cb 0.08 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.60 1i11 h GLN 56 CO 0.00 0.38 0.71 0.00 0.09 0.00 0.00 178.83 180.01 1i11 h ALA 57 N -0.65 2.62 -0.19 0.06 0.00 -1.31 0.68 119.26 120.47 1i11 h ALA 57 Ca -0.02 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1i11 h ALA 57 Cb 0.44 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1i11 h ALA 57 CO -0.01 -1.11 -0.24 0.00 0.00 0.00 0.00 179.25 177.89 1i11 h ARG 58 N 0.00 0.50 -0.00 0.00 3.08 -1.48 -1.55 114.38 114.92 1i11 h ARG 58 Ca 0.37 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1i11 h ARG 58 Cb 1.78 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.85 1i11 h ARG 58 CO -0.00 0.87 0.00 -0.07 -1.07 0.00 0.00 179.97 179.70 1i11 h LEU 59 N 0.16 0.00 0.08 3.04 3.38 0.43 0.76 115.31 123.17 1i11 h LEU 59 Ca 0.02 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.73 1i11 h LEU 59 Cb 0.80 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.57 1i11 h LEU 59 CO 0.06 0.00 -1.10 -1.28 0.09 0.00 0.00 178.44 176.21 1i11 h SER 60 N 0.00 0.82 -0.62 -0.43 0.87 -1.12 -1.90 113.55 111.17 1i11 h SER 60 Ca 0.00 -0.81 -0.03 0.00 -1.23 0.00 0.00 61.79 59.73 1i11 h SER 60 Cb 0.00 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.68 1i11 h SER 60 CO -0.00 1.54 0.28 0.50 -0.53 0.00 0.00 176.83 178.62 1i11 h LYS 61 N 0.21 0.91 0.00 2.24 1.63 -0.25 -1.07 116.57 120.23 1i11 h LYS 61 Ca -0.16 -0.14 -0.01 0.00 -0.85 0.00 0.00 60.65 59.48 1i11 h LYS 61 Cb 1.78 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 33.25 1i11 h LYS 61 CO 0.21 0.74 -0.06 -0.56 -3.45 0.00 0.00 179.45 176.34 1i11 h GLN 62 N 0.86 0.00 0.00 1.90 3.07 -0.91 -2.59 115.11 117.43 1i11 h GLN 62 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.95 1i11 h GLN 62 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.71 1i11 h GLN 62 CO -0.02 0.06 0.00 1.58 0.09 0.00 0.00 178.83 180.53 1i11 n HIS 63 N -3.17 0.00 0.02 0.06 -0.00 -0.47 -3.40 115.22 108.26 1i11 n HIS 63 Ca 0.01 0.00 0.22 0.00 0.46 0.00 0.00 57.72 58.40 1i11 n HIS 63 Cb 0.35 -0.24 0.63 0.00 -0.12 0.00 0.00 29.99 30.61 1i11 n HIS 63 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1i11 h LEU 64 N 0.00 0.00 -0.29 0.27 3.38 -1.50 1.10 115.31 118.27 1i11 h LEU 64 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i11 h LEU 64 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1i11 h LEU 64 CO 0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 1i11 n GLU 65 N -3.44 0.09 -0.08 1.13 1.02 -0.98 -1.14 120.64 117.25 1i11 n GLU 65 Ca 0.11 0.31 -0.21 0.00 -0.02 0.00 0.00 57.16 57.35 1i11 n GLU 65 Cb 0.90 -1.67 -0.12 0.00 -0.02 0.00 0.00 31.44 30.53 1i11 n GLU 65 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 1i11 h LYS 66 N 0.00 0.06 -1.10 3.49 2.10 0.13 -3.40 116.57 117.84 1i11 h LYS 66 Ca 0.00 -0.10 -0.60 0.00 -2.00 0.00 0.00 60.65 57.96 1i11 h LYS 66 Cb 0.34 0.04 -0.39 0.00 -0.90 0.00 0.00 32.23 31.31 1i11 h LYS 66 CO 0.00 1.05 -0.41 2.48 -2.00 0.00 0.00 179.45 180.57 1i11 n TYR 67 N -4.28 3.03 0.06 0.07 4.11 -1.20 -4.75 117.16 114.19 1i11 n TYR 67 Ca -0.30 -2.60 -0.08 0.00 -0.00 0.00 0.00 57.90 54.92 1i11 n TYR 67 Cb 0.73 -0.49 -0.05 0.00 -0.00 0.00 0.00 39.34 39.53 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 2.33 -0.23 -2.69 -3.48 0.13 -1.35 -3.33 132.00 123.38 1i11 h PRO 68 Ca 0.40 0.02 -0.74 0.00 -0.87 0.00 0.00 66.00 64.80 1i11 h PRO 68 Cb 1.14 0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 1i11 h PRO 68 CO 0.96 0.08 2.37 -0.40 -0.23 0.00 0.00 178.00 180.78 1i11 n ASP 69 N -4.92 7.81 0.00 1.44 5.75 -1.26 -5.11 116.55 120.25 1i11 n ASP 69 Ca -0.06 -3.15 0.01 0.00 -0.01 0.00 0.00 54.79 51.58 1i11 n ASP 69 Cb 0.21 -1.37 0.05 0.00 -1.03 0.00 0.00 41.12 38.98 1i11 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09