#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 -0.26 -0.38 6.00 2.46 -1.26 -5.11 115.29 116.74 1i11 s HIS 2 Ca 0.00 0.00 0.01 0.00 0.47 0.00 0.00 55.06 55.54 1i11 s HIS 2 Cb 0.00 0.05 0.13 0.00 -0.13 0.00 0.00 32.58 32.63 1i11 s HIS 2 CO 0.00 -0.19 0.20 0.96 -2.47 0.00 0.00 174.74 173.24 1i11 s ILE 3 N 1.68 0.82 -0.40 0.89 -4.36 -1.26 -4.99 121.20 113.58 1i11 s ILE 3 Ca 0.17 -1.97 -0.03 0.00 -0.26 0.00 0.00 60.65 58.56 1i11 s ILE 3 Cb 0.07 -1.59 0.11 0.00 1.25 0.00 0.00 42.46 42.29 1i11 s ILE 3 CO -0.14 -0.88 2.54 1.17 0.24 0.00 0.00 174.94 177.87 1i11 n LYS 4 N 4.04 2.20 -0.11 0.37 0.00 -1.26 -4.38 118.16 119.02 1i11 n LYS 4 Ca 0.07 -2.08 -0.20 0.00 0.00 0.00 0.00 58.31 56.10 1i11 n LYS 4 Cb 0.37 -1.97 -0.07 0.00 0.00 0.00 0.00 35.03 33.36 1i11 n LYS 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1i11 n ARG 5 N 0.71 0.53 -2.60 1.64 1.74 -1.26 -4.76 116.66 112.67 1i11 n ARG 5 Ca 0.43 0.23 -0.43 0.00 -0.77 0.00 0.00 57.85 57.30 1i11 n ARG 5 Cb 0.57 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 1i11 n ARG 5 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1i11 n PRO 6 N -4.28 3.21 0.08 5.56 -0.04 -1.26 -4.53 135.00 133.74 1i11 n PRO 6 Ca -0.36 -3.31 -0.18 0.00 -0.04 0.00 0.00 63.50 59.62 1i11 n PRO 6 Cb 0.71 -3.48 -0.14 0.00 -0.04 0.00 0.00 33.50 30.55 1i11 n PRO 6 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1i11 h MET 7 N 7.54 0.29 0.00 0.54 2.86 -1.86 -3.43 114.93 120.87 1i11 h MET 7 Ca 0.44 -0.49 -0.18 0.00 -2.06 0.00 0.00 59.70 57.41 1i11 h MET 7 Cb 0.87 0.18 -0.05 0.00 0.06 0.00 0.00 31.60 32.67 1i11 h MET 7 CO 1.45 1.18 -0.14 -1.71 1.06 0.00 0.00 176.91 178.75 1i11 n ASN 8 N -3.50 -0.57 0.19 1.22 2.85 -1.26 -4.86 115.26 109.33 1i11 n ASN 8 Ca -0.15 -2.04 0.04 0.00 -0.11 0.00 0.00 54.58 52.32 1i11 n ASN 8 Cb 1.05 1.14 0.43 0.00 1.24 0.00 0.00 39.78 43.64 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 1.67 1.56 0.47 5.20 0.00 -1.83 0.34 119.26 126.67 1i11 h ALA 9 Ca -0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1i11 h ALA 9 Cb 0.61 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1i11 h ALA 9 CO 0.18 0.33 -0.23 0.35 0.00 0.00 0.00 179.25 179.88 1i11 h PHE 10 N 0.04 -0.59 0.00 0.00 3.57 -1.95 2.07 116.94 120.07 1i11 h PHE 10 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1i11 h PHE 10 Cb 0.45 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1i11 h PHE 10 CO 0.00 -0.35 0.00 0.52 -2.23 0.00 0.00 178.31 176.25 1i11 h MET 11 N -1.15 0.00 0.09 1.11 2.86 -1.84 2.59 114.93 118.59 1i11 h MET 11 Ca -0.07 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.37 1i11 h MET 11 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1i11 h MET 11 CO 0.11 0.00 -1.03 0.28 1.06 0.00 0.00 176.91 177.32 1i11 h VAL 12 N 0.00 1.26 0.11 -2.22 2.07 0.04 -2.40 116.25 115.11 1i11 h VAL 12 Ca 0.00 -2.41 -0.28 0.00 0.82 0.00 0.00 66.70 64.84 1i11 h VAL 12 Cb 0.17 2.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1i11 h VAL 12 CO 0.00 0.65 -1.32 -0.25 0.02 0.00 0.00 177.57 176.67 1i11 h TRP 13 N -0.50 0.41 0.00 1.57 7.01 0.43 -3.27 115.95 121.61 1i11 h TRP 13 Ca -0.22 -0.30 0.00 0.00 2.11 0.00 0.00 58.89 60.47 1i11 h TRP 13 Cb 1.57 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.62 1i11 h TRP 13 CO 0.16 1.27 0.00 0.00 -2.79 0.00 0.00 178.44 177.09 1i11 h ALA 14 N 0.61 1.00 -0.00 2.65 0.00 0.43 -1.63 119.26 122.32 1i11 h ALA 14 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1i11 h ALA 14 Cb 1.97 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 1i11 h ALA 14 CO 0.18 0.00 -0.30 1.57 0.00 0.00 0.00 179.25 180.70 1i11 h LYS 15 N 0.00 0.01 0.03 0.00 2.10 -1.47 1.53 116.57 118.76 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 0.65 -0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.93 1i11 h LYS 15 CO 0.00 0.31 -2.01 -3.47 -2.00 0.00 0.00 179.45 172.27 1i11 n ASP 16 N -4.18 1.04 0.01 7.07 2.03 -1.12 -2.45 116.55 118.95 1i11 n ASP 16 Ca -0.02 0.22 -0.03 0.00 0.52 0.00 0.00 54.79 55.47 1i11 n ASP 16 Cb 0.35 -0.01 0.20 0.00 -0.72 0.00 0.00 41.12 40.94 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 0.49 0.03 -0.67 4.39 -0.88 1.81 114.58 119.75 1i11 h GLU 17 Ca -0.41 -0.18 -0.22 0.00 0.34 0.00 0.00 59.36 58.89 1i11 h GLU 17 Cb 2.06 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.68 1i11 h GLU 17 CO 0.05 0.70 -0.96 0.07 -1.16 0.00 0.00 179.01 177.71 1i11 h ARG 18 N 0.43 0.25 -0.31 2.33 0.11 0.21 0.94 114.38 118.33 1i11 h ARG 18 Ca 0.06 -0.30 -0.15 0.00 0.10 0.00 0.00 59.98 59.70 1i11 h ARG 18 Cb 0.66 0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.83 1i11 h ARG 18 CO 0.05 1.04 -0.41 0.07 0.10 0.00 0.00 179.97 180.82 1i11 h ARG 19 N 0.12 0.76 0.00 0.08 -0.00 -1.04 2.22 114.38 116.52 1i11 h ARG 19 Ca -0.07 -0.40 -0.05 0.00 -0.00 0.00 0.00 59.98 59.46 1i11 h ARG 19 Cb 1.62 0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 31.60 1i11 h ARG 19 CO 0.15 1.03 -0.25 -0.22 -0.00 0.00 0.00 179.97 180.68 1i11 h LYS 20 N 0.62 0.00 0.02 0.08 3.64 0.30 -2.83 116.57 118.39 1i11 h LYS 20 Ca 0.05 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 59.04 1i11 h LYS 20 Cb 0.96 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.73 1i11 h LYS 20 CO 0.09 0.25 -2.24 -0.89 -2.27 0.00 0.00 179.45 174.39 1i11 n ILE 21 N -3.38 1.56 -0.26 2.00 5.41 0.31 -4.15 119.36 120.85 1i11 n ILE 21 Ca 0.00 -0.44 0.29 0.00 1.00 0.00 0.00 62.75 63.61 1i11 n ILE 21 Cb 0.46 -1.73 0.68 0.00 -0.71 0.00 0.00 39.64 38.35 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 -0.50 0.10 -0.75 1.39 5.85 0.36 1.72 115.31 123.49 1i11 h LEU 22 Ca -0.57 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.14 1i11 h LEU 22 Cb 1.73 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.73 1i11 h LEU 22 CO -0.20 0.03 0.33 0.06 -0.34 0.00 0.00 178.44 178.31 1i11 h GLN 23 N 0.09 1.10 0.00 1.25 3.07 -1.66 1.60 115.11 120.56 1i11 h GLN 23 Ca 0.51 -0.18 0.00 0.00 0.09 0.00 0.00 58.65 59.07 1i11 h GLN 23 Cb 1.84 -0.19 0.00 0.00 0.08 0.00 0.00 27.48 29.21 1i11 h GLN 23 CO -0.07 0.88 0.00 0.00 0.09 0.00 0.00 178.83 179.73 1i11 h ALA 24 N 1.16 1.00 -1.25 0.06 0.00 0.21 -3.37 119.26 117.07 1i11 h ALA 24 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.83 1i11 h ALA 24 Cb 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.71 1i11 h ALA 24 CO -0.03 0.00 -0.71 1.19 0.00 0.00 0.00 179.25 179.71 1i11 n PHE 25 N -2.37 -2.49 0.47 0.00 3.72 0.18 -4.97 117.46 112.01 1i11 n PHE 25 Ca 0.05 -2.27 0.05 0.00 -0.05 0.00 0.00 57.45 55.23 1i11 n PHE 25 Cb 0.42 0.92 0.25 0.00 -0.94 0.00 0.00 39.48 40.13 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 2.37 0.15 -0.08 -1.08 -0.04 0.52 -1.54 135.00 135.30 1i11 n PRO 26 Ca 0.19 0.18 -0.08 0.00 -0.04 0.00 0.00 63.50 63.75 1i11 n PRO 26 Cb 0.55 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.26 0.97 -4.56 3.54 -0.08 -1.26 -4.77 116.55 109.12 1i11 n ASP 27 Ca 0.05 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.16 1i11 n ASP 27 Cb 0.07 0.92 -0.07 0.00 2.34 0.00 0.00 41.12 44.38 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 -2.41 1.80 0.22 -0.67 1.75 -0.59 -4.89 119.30 114.51 1i11 s MET 28 Ca -0.08 0.27 -0.04 0.00 -1.25 0.00 0.00 55.69 54.59 1i11 s MET 28 Cb 0.05 -4.86 0.05 0.00 2.84 0.00 0.00 34.83 32.91 1i11 s MET 28 CO 0.67 -4.26 0.29 -2.39 -0.65 0.00 0.00 175.02 168.68 1i11 n HIS 29 N 17.67 -3.92 0.01 4.11 1.44 -1.26 -4.28 115.22 128.99 1i11 n HIS 29 Ca 0.45 -0.25 -0.05 0.00 -2.01 0.00 0.00 57.72 55.86 1i11 n HIS 29 Cb 0.44 -0.23 -0.03 0.00 0.12 0.00 0.00 29.99 30.29 1i11 n HIS 29 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 1i11 h ASN 30 N -0.48 -0.54 -1.44 4.39 4.21 -1.96 0.95 115.58 120.71 1i11 h ASN 30 Ca -0.09 0.06 0.42 0.00 1.21 0.00 0.00 56.30 57.90 1i11 h ASN 30 Cb 0.26 0.21 -0.06 0.00 -1.12 0.00 0.00 38.32 37.61 1i11 h ASN 30 CO 0.07 -0.17 1.13 -1.54 -1.29 0.00 0.00 177.43 175.63 1i11 n SER 31 N -3.47 0.00 -0.10 5.81 3.41 -1.26 0.50 113.62 118.51 1i11 n SER 31 Ca -0.02 0.77 -0.20 0.00 -0.26 0.00 0.00 58.87 59.16 1i11 n SER 31 Cb 0.13 -0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 63.65 1i11 n SER 31 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1i11 n ASN 32 N -3.41 1.68 -0.02 4.04 5.15 -0.42 -4.39 115.26 117.90 1i11 n ASN 32 Ca 0.32 0.29 0.23 0.00 -0.60 0.00 0.00 54.58 54.82 1i11 n ASN 32 Cb 1.56 -0.68 0.72 0.00 -0.53 0.00 0.00 39.78 40.86 1i11 n ASN 32 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1i11 h ILE 33 N -0.83 0.50 -0.57 -1.44 1.08 0.23 0.31 117.51 116.80 1i11 h ILE 33 Ca -0.41 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.17 1i11 h ILE 33 Cb 1.30 0.62 -0.09 0.00 -3.07 0.00 0.00 36.82 35.59 1i11 h ILE 33 CO -0.25 0.00 0.08 0.28 -0.69 0.00 0.00 178.15 177.58 1i11 h SER 34 N 0.00 -0.08 0.40 1.72 0.02 -0.13 1.86 113.55 117.34 1i11 h SER 34 Ca 0.29 0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 61.28 1i11 h SER 34 Cb 1.31 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 64.01 1i11 h SER 34 CO -0.00 -0.02 -0.37 0.11 -1.14 0.00 0.00 176.83 175.41 1i11 h LYS 35 N 0.21 0.00 0.29 3.45 1.57 -1.17 0.26 116.57 121.18 1i11 h LYS 35 Ca 0.30 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 1i11 h LYS 35 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1i11 h LYS 35 CO -0.42 0.37 -0.14 0.82 -0.57 0.00 0.00 179.45 179.51 1i11 h ILE 36 N 0.00 0.53 0.97 1.86 5.03 0.40 -1.94 117.51 124.35 1i11 h ILE 36 Ca -0.00 -0.82 -0.05 0.00 -0.12 0.00 0.00 64.86 63.87 1i11 h ILE 36 Cb 0.67 0.85 0.01 0.00 -3.03 0.00 0.00 36.82 35.31 1i11 h ILE 36 CO 0.05 0.12 -0.47 -0.07 -0.68 0.00 0.00 178.15 177.10 1i11 h LEU 37 N -0.94 -1.12 -1.42 1.44 3.38 0.27 1.04 115.31 117.95 1i11 h LEU 37 Ca -0.04 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i11 h LEU 37 Cb 0.50 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1i11 h LEU 37 CO 0.07 -0.80 0.25 1.23 0.09 0.00 0.00 178.44 179.28 1i11 h GLY 38 N -1.31 0.00 0.00 0.83 0.00 -0.61 2.55 103.07 104.52 1i11 h GLY 38 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1i11 h GLY 38 CO 0.22 0.00 -1.78 1.44 0.00 0.00 0.00 176.54 176.42 1i11 n SER 39 N -2.41 0.38 0.05 0.19 7.64 -0.61 -3.24 113.62 115.62 1i11 n SER 39 Ca -0.01 -0.16 -0.01 0.00 1.01 0.00 0.00 58.87 59.69 1i11 n SER 39 Cb 0.29 1.79 -0.07 0.00 -1.01 0.00 0.00 64.21 65.20 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 0.00 0.41 1.43 2.47 1.02 -3.08 114.38 116.63 1i11 h ARG 40 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 1i11 h ARG 40 Cb 0.87 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.19 1i11 h ARG 40 CO 0.00 0.39 -0.20 2.35 0.56 0.00 0.00 179.97 183.08 1i11 h TRP 41 N 0.00 -0.51 0.00 3.04 -0.00 0.36 -2.99 115.95 115.85 1i11 h TRP 41 Ca -0.14 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.74 1i11 h TRP 41 Cb 1.60 0.17 0.00 0.00 -0.00 0.00 0.00 29.16 30.93 1i11 h TRP 41 CO 0.00 -0.32 0.00 0.87 -0.00 0.00 0.00 178.44 178.99 1i11 h LYS 42 N -0.88 0.00 -1.91 2.65 1.57 -1.71 -2.69 116.57 113.59 1i11 h LYS 42 Ca -0.06 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.19 1i11 h LYS 42 Cb 0.42 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.54 1i11 h LYS 42 CO 0.09 0.00 0.52 0.00 -0.57 0.00 0.00 179.45 179.50 1i11 n ALA 43 N -1.79 6.33 -3.00 3.86 0.00 -1.13 -4.85 120.51 119.93 1i11 n ALA 43 Ca -0.01 -3.11 0.00 0.00 0.00 0.00 0.00 53.44 50.33 1i11 n ALA 43 Cb 0.09 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.51 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 0.52 2.25 -0.05 0.00 0.00 -1.02 -4.89 117.12 113.94 1i11 n MET 44 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.19 1i11 n MET 44 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.73 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 0.14 0.00 3.17 -2.24 -1.26 -5.02 114.28 109.07 1i11 n THR 45 Ca 0.00 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1i11 n THR 45 Cb 0.00 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 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 -0.08 0.00 0.25 3.42 3.02 -1.26 -4.13 115.26 116.48 1i11 n ASN 46 Ca 0.00 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.72 1i11 n ASN 46 Cb 0.49 0.00 0.91 0.00 -0.61 0.00 0.00 39.78 40.58 1i11 n ASN 46 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1i11 h LEU 47 N 0.00 0.00 0.15 3.41 5.85 -2.01 -0.67 115.31 122.04 1i11 h LEU 47 Ca 0.00 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.42 1i11 h LEU 47 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1i11 h LEU 47 CO 0.00 0.00 -1.46 -0.08 -0.34 0.00 0.00 178.44 176.56 1i11 h GLU 48 N 0.00 0.31 -0.12 1.25 4.81 -1.97 -3.26 114.58 115.60 1i11 h GLU 48 Ca 0.00 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1i11 h GLU 48 Cb 0.02 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1i11 h GLU 48 CO 0.00 1.21 0.00 0.36 -0.73 0.00 0.00 179.01 179.85 1i11 n LYS 49 N -3.52 1.50 -0.08 1.92 2.85 -0.32 -4.11 118.16 116.40 1i11 n LYS 49 Ca -0.15 -0.76 -0.09 0.00 -1.05 0.00 0.00 58.31 56.26 1i11 n LYS 49 Cb 1.05 -1.35 -0.02 0.00 -0.65 0.00 0.00 35.03 34.06 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 1.52 0.37 0.00 -1.58 1.08 -1.43 -0.41 115.11 114.66 1i11 h GLN 50 Ca 0.00 -0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 57.08 1i11 h GLN 50 Cb 0.33 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 1i11 h GLN 50 CO 0.00 0.25 -0.48 -1.00 -0.95 0.00 0.00 178.83 176.65 1i11 h PRO 51 N 0.38 0.00 -0.00 1.46 0.13 -1.82 -2.41 132.00 129.75 1i11 h PRO 51 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1i11 h PRO 51 Cb -0.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.09 1i11 h PRO 51 CO -0.02 0.48 -0.01 0.66 -0.23 0.00 0.00 178.00 178.88 1i11 n TYR 52 N -3.36 0.00 -0.07 1.56 4.01 -0.93 -2.98 117.16 115.39 1i11 n TYR 52 Ca 0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.67 1i11 n TYR 52 Cb 0.65 -0.09 -0.04 0.00 -0.31 0.00 0.00 39.34 39.56 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 0.19 0.00 0.00 -0.72 -1.99 -0.55 -3.25 116.97 110.64 1i11 h TYR 53 Ca 0.00 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.64 1i11 h TYR 53 Cb 0.13 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.85 1i11 h TYR 53 CO 0.00 0.38 -0.44 1.05 -0.00 0.00 0.00 178.16 179.15 1i11 h GLU 54 N -1.00 0.00 0.00 4.88 4.11 -1.63 -2.11 114.58 118.83 1i11 h GLU 54 Ca -0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 1i11 h GLU 54 Cb 0.63 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1i11 h GLU 54 CO -0.05 0.44 -0.03 0.93 0.07 0.00 0.00 179.01 180.38 1i11 h GLU 55 N 0.00 0.00 0.00 1.06 4.39 -1.74 -1.94 114.58 116.35 1i11 h GLU 55 Ca -0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 1i11 h GLU 55 Cb 0.78 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1i11 h GLU 55 CO 0.06 0.03 -0.67 1.96 -1.16 0.00 0.00 179.01 179.22 1i11 h GLN 56 N 0.00 0.00 -1.39 2.33 1.08 -1.63 -3.13 115.11 112.36 1i11 h GLN 56 Ca -0.00 0.00 0.41 0.00 -1.45 0.00 0.00 58.65 57.61 1i11 h GLN 56 Cb 0.36 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.71 1i11 h GLN 56 CO 0.00 0.35 0.97 0.00 -0.95 0.00 0.00 178.83 179.20 1i11 h ALA 57 N -0.80 3.08 0.38 3.87 0.00 -1.30 2.68 119.26 127.16 1i11 h ALA 57 Ca -0.11 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1i11 h ALA 57 Cb 0.73 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1i11 h ALA 57 CO -0.07 -1.55 -0.18 0.00 0.00 0.00 0.00 179.25 177.44 1i11 h ARG 58 N 0.08 -0.50 0.00 0.00 2.47 -1.46 -2.51 114.38 112.46 1i11 h ARG 58 Ca 0.73 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 59.47 1i11 h ARG 58 Cb 2.60 0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 31.03 1i11 h ARG 58 CO -0.16 -0.29 -0.07 1.37 0.56 0.00 0.00 179.97 181.38 1i11 h LEU 59 N -1.11 0.00 -0.09 3.04 8.10 -0.81 -2.99 115.31 121.44 1i11 h LEU 59 Ca -0.05 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.74 1i11 h LEU 59 Cb 0.43 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.66 1i11 h LEU 59 CO 0.09 0.07 -0.70 -1.28 -4.11 0.00 0.00 178.44 172.50 1i11 h SER 60 N 0.00 0.77 -0.20 0.17 0.87 0.45 0.12 113.55 115.72 1i11 h SER 60 Ca -0.00 -0.67 0.04 0.00 -1.23 0.00 0.00 61.79 59.93 1i11 h SER 60 Cb 0.56 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.25 1i11 h SER 60 CO 0.01 1.32 -0.07 0.50 -0.53 0.00 0.00 176.83 178.06 1i11 h LYS 61 N 0.27 -0.03 -0.00 2.24 1.63 -1.30 0.16 116.57 119.54 1i11 h LYS 61 Ca -0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1i11 h LYS 61 Cb 1.36 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.99 1i11 h LYS 61 CO 0.14 -0.02 0.00 0.00 -3.45 0.00 0.00 179.45 176.12 1i11 n GLN 62 N -5.22 1.12 -0.03 1.90 -0.00 -1.19 -2.72 117.38 111.24 1i11 n GLN 62 Ca -0.02 -0.18 -0.00 0.00 -0.00 0.00 0.00 57.00 56.79 1i11 n GLN 62 Cb 0.15 -1.48 -0.00 0.00 -0.00 0.00 0.00 30.24 28.90 1i11 n GLN 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1i11 h HIS 63 N 0.44 -0.03 0.23 2.61 2.76 0.21 -3.21 115.15 118.15 1i11 h HIS 63 Ca 0.00 -0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 57.87 1i11 h HIS 63 Cb 0.09 0.01 0.03 0.00 1.55 0.00 0.00 27.41 29.10 1i11 h HIS 63 CO 0.00 -0.02 -1.33 -0.07 -1.30 0.00 0.00 177.93 175.21 1i11 h LEU 64 N -0.89 0.76 -2.25 0.26 3.38 -1.63 1.77 115.31 116.69 1i11 h LEU 64 Ca -0.00 -0.93 0.01 0.00 0.09 0.00 0.00 57.88 57.05 1i11 h LEU 64 Cb 0.02 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1i11 h LEU 64 CO 0.01 1.64 0.25 -0.33 0.09 0.00 0.00 178.44 180.10 1i11 h GLU 65 N 0.02 0.00 0.00 1.13 5.08 -1.72 -2.67 114.58 116.42 1i11 h GLU 65 Ca -0.23 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.97 1i11 h GLU 65 Cb 2.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.27 1i11 h GLU 65 CO 0.25 0.00 -1.59 1.63 -1.00 0.00 0.00 179.01 178.30 1i11 n LYS 66 N -3.06 0.25 -3.73 2.33 4.76 -1.18 -4.87 118.16 112.65 1i11 n LYS 66 Ca -0.01 0.07 -0.36 0.00 -2.87 0.00 0.00 58.31 55.13 1i11 n LYS 66 Cb 0.32 -1.14 -0.10 0.00 -1.84 0.00 0.00 35.03 32.27 1i11 n LYS 66 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1i11 s TYR 67 N -2.20 3.42 0.00 2.13 1.51 0.60 -4.96 117.35 117.85 1i11 s TYR 67 Ca -0.14 -2.71 0.00 0.00 -1.01 0.00 0.00 57.07 53.21 1i11 s TYR 67 Cb 0.04 -3.19 0.00 0.00 -0.11 0.00 0.00 41.96 38.70 1i11 s TYR 67 CO 0.23 -0.85 0.04 -0.35 -1.11 0.00 0.00 175.55 173.51 1i11 n PRO 68 N 3.57 0.00 -1.94 -1.71 -0.04 -1.19 -4.00 135.00 129.68 1i11 n PRO 68 Ca 0.07 0.07 -0.40 0.00 -0.04 0.00 0.00 63.50 63.20 1i11 n PRO 68 Cb 0.38 -0.61 -0.01 0.00 -0.04 0.00 0.00 33.50 33.23 1i11 n PRO 68 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1i11 n ASP 69 N -0.72 7.38 0.00 3.54 5.68 -1.26 -5.02 116.55 126.15 1i11 n ASP 69 Ca 0.00 -3.03 0.01 0.00 -0.50 0.00 0.00 54.79 51.26 1i11 n ASP 69 Cb 0.00 -1.43 0.04 0.00 -1.14 0.00 0.00 41.12 38.59 1i11 n ASP 69 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87