#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 -0.45 -2.10 0.54 8.25 -1.26 -4.99 115.22 115.21 1i11 n HIS 2 Ca 0.00 -3.52 -0.38 0.00 -0.26 0.00 0.00 57.72 53.56 1i11 n HIS 2 Cb 0.00 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 30.83 1i11 n HIS 2 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1i11 n ILE 3 N 1.54 4.90 -1.60 1.59 -5.35 -1.26 -4.82 119.36 114.36 1i11 n ILE 3 Ca 0.22 -4.63 -0.39 0.00 -0.27 0.00 0.00 62.75 57.68 1i11 n ILE 3 Cb 0.53 -1.67 -0.02 0.00 -1.74 0.00 0.00 39.64 36.74 1i11 n ILE 3 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 1i11 n LYS 4 N 0.59 4.08 -2.28 6.28 2.85 -1.26 -4.60 118.16 123.82 1i11 n LYS 4 Ca 0.53 -2.73 -0.28 0.00 -1.05 0.00 0.00 58.31 54.79 1i11 n LYS 4 Cb 0.30 -2.73 0.01 0.00 -0.65 0.00 0.00 35.03 31.96 1i11 n LYS 4 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1i11 n ARG 5 N 2.82 3.38 -1.93 -1.58 5.12 -1.26 -4.95 116.66 118.25 1i11 n ARG 5 Ca 0.72 -4.29 -0.36 0.00 -1.93 0.00 0.00 57.85 51.99 1i11 n ARG 5 Cb 0.24 -2.26 -0.04 0.00 -1.16 0.00 0.00 32.46 29.23 1i11 n ARG 5 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1i11 n PRO 6 N -0.55 1.99 -0.07 5.56 -0.04 -1.26 -4.56 135.00 136.07 1i11 n PRO 6 Ca 0.42 -2.50 -0.13 0.00 -0.04 0.00 0.00 63.50 61.26 1i11 n PRO 6 Cb 0.68 -3.47 -0.14 0.00 -0.04 0.00 0.00 33.50 30.53 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 7.85 0.68 -3.87 0.54 2.81 -1.26 -5.05 117.12 118.81 1i11 n MET 7 Ca 0.47 0.15 -0.04 0.00 -1.81 0.00 0.00 57.70 56.47 1i11 n MET 7 Cb 0.44 -1.62 0.02 0.00 -0.71 0.00 0.00 33.22 31.35 1i11 n MET 7 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1i11 s ASN 8 N -6.09 0.02 0.59 7.83 3.84 -1.26 -4.99 114.94 114.88 1i11 s ASN 8 Ca -0.15 -0.80 0.38 0.00 0.21 0.00 0.00 52.86 52.49 1i11 s ASN 8 Cb 0.07 0.59 1.75 0.00 -0.55 0.00 0.00 41.25 43.11 1i11 s ASN 8 CO 0.77 -1.17 2.12 0.00 -2.79 0.00 0.00 177.10 176.04 1i11 h ALA 9 N 2.00 1.00 0.29 1.71 0.00 -1.88 -2.38 119.26 120.00 1i11 h ALA 9 Ca -0.29 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1i11 h ALA 9 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1i11 h ALA 9 CO 0.38 0.00 -0.14 0.35 0.00 0.00 0.00 179.25 179.84 1i11 h PHE 10 N 0.00 -0.36 0.00 0.00 3.57 -1.94 2.12 116.94 120.33 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 0.33 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1i11 h PHE 10 CO 0.00 -0.22 0.15 0.52 -2.23 0.00 0.00 178.31 176.52 1i11 h MET 11 N -0.66 0.00 0.07 1.11 2.86 -1.88 2.72 114.93 119.13 1i11 h MET 11 Ca -0.04 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 1i11 h MET 11 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1i11 h MET 11 CO 0.07 0.00 -0.59 0.28 1.06 0.00 0.00 176.91 177.72 1i11 h VAL 12 N 0.00 1.52 0.06 -2.22 2.07 -1.00 -2.47 116.25 114.21 1i11 h VAL 12 Ca 0.00 -2.41 -0.24 0.00 0.82 0.00 0.00 66.70 64.87 1i11 h VAL 12 Cb 0.29 3.13 -0.01 0.00 -1.52 0.00 0.00 31.29 33.18 1i11 h VAL 12 CO 0.00 0.63 -1.12 -0.25 0.02 0.00 0.00 177.57 176.85 1i11 h TRP 13 N -0.69 0.26 0.00 1.57 7.01 0.61 -3.20 115.95 121.50 1i11 h TRP 13 Ca -0.12 -0.19 0.00 0.00 2.11 0.00 0.00 58.89 60.69 1i11 h TRP 13 Cb 1.36 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.40 1i11 h TRP 13 CO 0.21 1.14 0.00 0.00 -2.79 0.00 0.00 178.44 177.00 1i11 h ALA 14 N 0.79 1.00 -0.34 2.65 0.00 0.45 -2.43 119.26 121.38 1i11 h ALA 14 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1i11 h ALA 14 Cb 1.86 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 1i11 h ALA 14 CO 0.17 0.00 -0.12 1.57 0.00 0.00 0.00 179.25 180.87 1i11 h LYS 15 N 0.00 0.59 0.11 0.00 2.10 -1.43 1.40 116.57 119.34 1i11 h LYS 15 Ca 0.00 -0.18 -0.31 0.00 -2.00 0.00 0.00 60.65 58.16 1i11 h LYS 15 Cb 0.61 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.87 1i11 h LYS 15 CO 0.00 0.70 -1.62 0.22 -2.00 0.00 0.00 179.45 176.75 1i11 h ASP 16 N 0.54 0.37 -0.32 7.07 3.58 -1.70 -2.37 116.42 123.59 1i11 h ASP 16 Ca 0.10 -0.56 -0.05 0.00 0.42 0.00 0.00 57.03 56.94 1i11 h ASP 16 Cb 0.52 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 1i11 h ASP 16 CO 0.03 1.48 0.05 -0.33 -2.88 0.00 0.00 179.24 177.59 1i11 h GLU 17 N 0.06 0.63 -0.16 0.28 5.08 -1.09 2.24 114.58 121.62 1i11 h GLU 17 Ca -0.27 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 57.93 1i11 h GLU 17 Cb 2.02 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.17 1i11 h GLU 17 CO 0.15 0.62 0.01 0.00 -1.00 0.00 0.00 179.01 178.78 1i11 h ARG 18 N 0.61 0.27 -0.58 2.33 2.47 0.19 0.86 114.38 120.54 1i11 h ARG 18 Ca 0.13 -0.08 -0.08 0.00 -1.26 0.00 0.00 59.98 58.69 1i11 h ARG 18 Cb 0.31 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.58 1i11 h ARG 18 CO 0.00 0.47 0.04 0.00 0.56 0.00 0.00 179.97 181.05 1i11 h ARG 19 N 0.03 0.97 0.00 0.04 2.47 -0.77 2.11 114.38 119.24 1i11 h ARG 19 Ca 0.05 -0.27 -0.02 0.00 -1.26 0.00 0.00 59.98 58.47 1i11 h ARG 19 Cb 0.34 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.55 1i11 h ARG 19 CO 0.01 0.94 -0.10 -0.22 0.56 0.00 0.00 179.97 181.15 1i11 h LYS 20 N 0.90 0.00 0.02 0.04 1.63 0.42 -2.89 116.57 116.69 1i11 h LYS 20 Ca 0.17 0.00 -0.40 0.00 -0.85 0.00 0.00 60.65 59.58 1i11 h LYS 20 Cb 0.48 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.05 1i11 h LYS 20 CO 0.02 0.10 -2.32 -0.89 -3.45 0.00 0.00 179.45 172.91 1i11 n ILE 21 N -3.21 1.55 -0.11 2.00 -0.00 0.30 -4.15 119.36 115.73 1i11 n ILE 21 Ca 0.01 -0.47 0.26 0.00 -0.00 0.00 0.00 62.75 62.55 1i11 n ILE 21 Cb 0.39 -1.67 0.72 0.00 -0.00 0.00 0.00 39.64 39.08 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 -0.40 0.00 -0.90 1.39 5.85 0.34 2.83 115.31 124.42 1i11 h LEU 22 Ca -0.58 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.08 1i11 h LEU 22 Cb 1.78 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.78 1i11 h LEU 22 CO -0.18 0.00 0.11 0.06 -0.34 0.00 0.00 178.44 178.09 1i11 h GLN 23 N 0.00 0.93 -0.02 1.25 3.07 -1.67 0.45 115.11 119.12 1i11 h GLN 23 Ca 0.37 -0.22 0.00 0.00 0.09 0.00 0.00 58.65 58.89 1i11 h GLN 23 Cb 1.57 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 29.00 1i11 h GLN 23 CO -0.00 0.85 -0.04 0.00 0.09 0.00 0.00 178.83 179.72 1i11 n ALA 24 N -2.46 2.62 -2.82 0.06 0.00 0.79 -4.49 120.51 114.20 1i11 n ALA 24 Ca 0.04 -0.56 -0.11 0.00 0.00 0.00 0.00 53.44 52.82 1i11 n ALA 24 Cb 0.26 -0.99 0.04 0.00 0.00 0.00 0.00 19.45 18.75 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 0.62 -2.80 0.72 0.00 3.01 0.70 -4.97 117.46 114.75 1i11 n PHE 25 Ca 0.16 -2.10 0.09 0.00 1.01 0.00 0.00 57.45 56.61 1i11 n PHE 25 Cb 0.47 1.27 0.42 0.00 -0.01 0.00 0.00 39.48 41.62 1i11 n PHE 25 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1i11 n PRO 26 N 1.40 0.10 -0.09 -1.08 -0.04 0.14 -2.81 135.00 132.62 1i11 n PRO 26 Ca 0.11 0.16 -0.11 0.00 -0.04 0.00 0.00 63.50 63.61 1i11 n PRO 26 Cb 0.63 -1.50 -0.10 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 -1.42 1.98 -4.56 3.54 2.03 -1.26 -4.78 116.55 112.08 1i11 n ASP 27 Ca 0.06 -0.07 -0.26 0.00 0.52 0.00 0.00 54.79 55.05 1i11 n ASP 27 Cb 0.19 0.14 -0.05 0.00 -0.72 0.00 0.00 41.12 40.68 1i11 n ASP 27 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 1i11 s MET 28 N -2.39 2.09 0.00 -0.67 1.75 -1.12 -4.90 119.30 114.06 1i11 s MET 28 Ca -0.19 0.56 0.00 0.00 -1.25 0.00 0.00 55.69 54.80 1i11 s MET 28 Cb 0.06 -4.74 0.00 0.00 2.84 0.00 0.00 34.83 32.99 1i11 s MET 28 CO 0.52 -3.66 0.00 -2.39 -0.65 0.00 0.00 175.02 168.84 1i11 n HIS 29 N 16.03 -1.87 0.00 4.11 1.44 -1.26 -4.26 115.22 129.41 1i11 n HIS 29 Ca 0.39 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.10 1i11 n HIS 29 Cb 0.48 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.59 1i11 n HIS 29 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1i11 n ASN 30 N -1.50 0.00 -0.48 4.39 4.13 -1.26 0.22 115.26 120.77 1i11 n ASN 30 Ca 0.00 0.90 0.37 0.00 1.68 0.00 0.00 54.58 57.54 1i11 n ASN 30 Cb 0.00 -0.40 0.59 0.00 -1.54 0.00 0.00 39.78 38.43 1i11 n ASN 30 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1i11 n SER 31 N -1.84 0.06 -0.10 6.41 2.88 -1.26 0.19 113.62 119.96 1i11 n SER 31 Ca 0.00 0.86 -0.24 0.00 -1.33 0.00 0.00 58.87 58.17 1i11 n SER 31 Cb 0.00 -0.43 -0.12 0.00 -0.75 0.00 0.00 64.21 62.92 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 -3.73 1.94 0.02 -3.46 3.02 -0.99 -4.06 115.26 108.00 1i11 n ASN 32 Ca 0.33 0.32 0.12 0.00 -0.03 0.00 0.00 54.58 55.32 1i11 n ASN 32 Cb 1.42 -0.87 0.56 0.00 -0.61 0.00 0.00 39.78 40.28 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 -0.75 0.91 -0.80 2.41 1.08 0.91 -0.53 117.51 120.73 1i11 h ILE 33 Ca -0.47 -0.09 0.19 0.00 -0.39 0.00 0.00 64.86 64.10 1i11 h ILE 33 Cb 1.55 0.64 -0.12 0.00 -3.07 0.00 0.00 36.82 35.82 1i11 h ILE 33 CO -0.21 0.05 0.21 0.28 -0.69 0.00 0.00 178.15 177.78 1i11 h SER 34 N 0.25 0.03 0.37 1.72 0.02 0.18 2.46 113.55 118.57 1i11 h SER 34 Ca 0.19 0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 61.25 1i11 h SER 34 Cb 0.45 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1i11 h SER 34 CO -0.04 -0.07 -0.30 0.11 -1.14 0.00 0.00 176.83 175.39 1i11 h LYS 35 N 0.26 0.00 0.32 3.45 1.57 -1.27 0.52 116.57 121.42 1i11 h LYS 35 Ca 0.47 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.24 1i11 h LYS 35 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1i11 h LYS 35 CO -0.56 0.30 -0.15 0.82 -0.57 0.00 0.00 179.45 179.28 1i11 h ILE 36 N 0.00 0.00 0.42 1.86 5.03 0.37 -1.39 117.51 123.80 1i11 h ILE 36 Ca -0.00 -0.66 -0.01 0.00 -0.12 0.00 0.00 64.86 64.06 1i11 h ILE 36 Cb 0.56 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 34.34 1i11 h ILE 36 CO 0.04 0.00 -0.43 -0.07 -0.68 0.00 0.00 178.15 177.01 1i11 h LEU 37 N -1.09 -1.17 -0.77 1.44 3.38 0.17 1.12 115.31 118.39 1i11 h LEU 37 Ca -0.04 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1i11 h LEU 37 Cb 0.33 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1i11 h LEU 37 CO 0.07 -0.56 0.15 0.61 0.09 0.00 0.00 178.44 178.80 1i11 n GLY 38 N -1.47 -0.62 0.00 0.83 0.00 0.18 0.16 105.19 104.27 1i11 n GLY 38 Ca -0.10 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.90 0.90 0.00 1.61 3.41 0.00 -3.05 113.62 114.59 1i11 n SER 39 Ca -0.01 -0.40 -0.11 0.00 -0.26 0.00 0.00 58.87 58.09 1i11 n SER 39 Cb 0.16 1.45 -0.14 0.00 -0.26 0.00 0.00 64.21 65.42 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 0.06 0.33 4.33 2.47 1.03 -2.84 114.38 119.76 1i11 h ARG 40 Ca 0.00 -0.11 -0.02 0.00 -1.26 0.00 0.00 59.98 58.60 1i11 h ARG 40 Cb 0.63 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 1i11 h ARG 40 CO 0.00 0.71 -0.16 2.35 0.56 0.00 0.00 179.97 183.43 1i11 h TRP 41 N 0.02 -0.41 0.00 3.04 2.91 0.14 0.16 115.95 121.80 1i11 h TRP 41 Ca -0.27 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.74 1i11 h TRP 41 Cb 1.99 0.14 0.00 0.00 -0.51 0.00 0.00 29.16 30.78 1i11 h TRP 41 CO 0.02 -0.07 0.00 0.87 -1.03 0.00 0.00 178.44 178.22 1i11 h LYS 42 N -0.93 0.00 0.00 2.65 1.57 -1.69 0.20 116.57 118.38 1i11 h LYS 42 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1i11 h LYS 42 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1i11 h LYS 42 CO 0.07 0.00 -0.92 0.00 -0.57 0.00 0.00 179.45 178.03 1i11 h ALA 43 N 2.02 0.52 -3.00 3.86 0.00 -1.18 -3.44 119.26 118.04 1i11 h ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i11 h ALA 43 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1i11 h ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1i11 n MET 44 N -2.62 0.00 0.00 0.00 0.00 0.51 -4.96 117.12 110.05 1i11 n MET 44 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.71 1i11 n MET 44 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.75 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 -5.01 114.28 108.94 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 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.00 0.00 0.28 3.42 3.02 -1.26 -3.98 115.26 116.74 1i11 n ASN 46 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.69 1i11 n ASN 46 Cb 0.49 0.00 0.84 0.00 -0.61 0.00 0.00 39.78 40.50 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 0.00 3.41 7.12 -2.00 0.18 115.31 124.02 1i11 h LEU 47 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 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 0.05 0.00 -0.62 -0.13 0.00 0.00 178.44 177.74 1i11 n GLU 48 N -3.77 0.63 0.00 1.25 -0.58 -1.26 -2.76 120.64 114.16 1i11 n GLU 48 Ca -0.03 0.01 0.15 0.00 -0.42 0.00 0.00 57.16 56.88 1i11 n GLU 48 Cb 0.15 -1.50 0.75 0.00 -0.57 0.00 0.00 31.44 30.26 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 -1.04 1.03 -0.04 3.49 5.02 0.64 -4.09 118.16 123.16 1i11 n LYS 49 Ca 0.16 -0.28 -0.10 0.00 -2.02 0.00 0.00 58.31 56.06 1i11 n LYS 49 Cb 0.09 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.57 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 0.69 0.25 -0.00 1.97 4.20 -1.71 -1.90 115.11 118.61 1i11 h GLN 50 Ca 0.00 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.61 1i11 h GLN 50 Cb 0.23 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 27.96 1i11 h GLN 50 CO 0.00 0.19 -0.33 -1.00 -0.67 0.00 0.00 178.83 177.03 1i11 h PRO 51 N 0.23 0.23 0.00 1.46 0.13 -1.87 -3.06 132.00 129.12 1i11 h PRO 51 Ca 0.07 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1i11 h PRO 51 Cb 0.01 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.20 1i11 h PRO 51 CO -0.01 0.96 0.00 0.66 -0.23 0.00 0.00 178.00 179.38 1i11 n TYR 52 N -4.44 0.00 -0.06 1.56 4.01 -1.23 -1.58 117.16 115.41 1i11 n TYR 52 Ca -0.10 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.58 1i11 n TYR 52 Cb 0.54 -0.43 -0.05 0.00 -0.31 0.00 0.00 39.34 39.10 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 0.00 -0.24 -0.72 -1.99 -1.24 -3.16 116.97 109.61 1i11 h TYR 53 Ca 0.00 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.65 1i11 h TYR 53 Cb 0.15 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.87 1i11 h TYR 53 CO 0.00 0.41 -0.21 0.93 -0.00 0.00 0.00 178.16 179.29 1i11 h GLU 54 N -1.00 0.43 0.00 4.88 5.08 -1.43 -1.34 114.58 121.20 1i11 h GLU 54 Ca -0.03 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1i11 h GLU 54 Cb 0.47 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1i11 h GLU 54 CO -0.02 0.62 0.00 -0.85 -1.00 0.00 0.00 179.01 177.76 1i11 n GLU 55 N -4.16 0.03 -0.06 2.33 0.28 -0.62 -1.55 120.64 116.90 1i11 n GLU 55 Ca -0.00 0.27 -0.07 0.00 -0.16 0.00 0.00 57.16 57.20 1i11 n GLU 55 Cb 0.36 -1.56 -0.06 0.00 1.43 0.00 0.00 31.44 31.61 1i11 n GLU 55 CO 0.00 0.00 0.00 -0.56 -0.16 0.00 0.00 177.13 176.41 1i11 h GLN 56 N 0.00 -0.00 -0.25 3.44 3.07 -1.20 -1.52 115.11 118.64 1i11 h GLN 56 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.75 1i11 h GLN 56 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.83 1i11 h GLN 56 CO 0.00 0.46 0.17 0.00 0.09 0.00 0.00 178.83 179.54 1i11 h ALA 57 N -0.53 1.86 0.17 0.06 0.00 -1.45 -0.83 119.26 118.53 1i11 h ALA 57 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1i11 h ALA 57 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1i11 h ALA 57 CO 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 179.25 179.29 1i11 h ARG 58 N 0.30 -0.22 0.00 0.00 3.08 -1.34 -3.02 114.38 113.18 1i11 h ARG 58 Ca 0.10 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1i11 h ARG 58 Cb 0.02 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1i11 h ARG 58 CO -0.02 0.20 0.00 1.37 -1.07 0.00 0.00 179.97 180.45 1i11 h LEU 59 N -0.82 0.00 0.08 3.04 8.10 -0.95 -1.81 115.31 122.95 1i11 h LEU 59 Ca -0.02 0.00 -0.29 0.00 0.11 0.00 0.00 57.88 57.68 1i11 h LEU 59 Cb 0.53 0.00 0.03 0.00 -0.44 0.00 0.00 40.66 40.77 1i11 h LEU 59 CO 0.04 0.00 -1.18 0.28 -4.11 0.00 0.00 178.44 173.46 1i11 h SER 60 N 0.00 0.90 0.39 0.17 0.02 -1.10 0.40 113.55 114.32 1i11 h SER 60 Ca 0.00 -0.79 -0.02 0.00 -0.84 0.00 0.00 61.79 60.14 1i11 h SER 60 Cb 0.17 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1i11 h SER 60 CO 0.00 1.59 -0.19 0.50 -1.14 0.00 0.00 176.83 177.60 1i11 h LYS 61 N 0.32 -0.50 0.00 3.45 1.63 -1.22 -2.99 116.57 117.27 1i11 h LYS 61 Ca -0.17 0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.60 1i11 h LYS 61 Cb 1.85 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 33.58 1i11 h LYS 61 CO 0.23 -0.22 -0.29 -0.56 -3.45 0.00 0.00 179.45 175.17 1i11 h GLN 62 N -0.75 0.00 0.11 1.90 3.07 -1.54 -3.02 115.11 114.88 1i11 h GLN 62 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.69 1i11 h GLN 62 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.07 1i11 h GLN 62 CO 0.09 0.29 -0.16 1.25 0.09 0.00 0.00 178.83 180.38 1i11 h HIS 63 N 0.00 -0.45 -0.30 0.06 2.76 -0.76 0.64 115.15 117.11 1i11 h HIS 63 Ca -0.00 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.23 1i11 h HIS 63 Cb 0.73 0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.86 1i11 h HIS 63 CO 0.00 -0.20 0.21 -0.07 -1.30 0.00 0.00 177.93 176.56 1i11 h LEU 64 N -0.28 0.12 0.00 0.26 -0.00 -1.60 0.48 115.31 114.28 1i11 h LEU 64 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1i11 h LEU 64 Cb 0.26 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 1i11 h LEU 64 CO -0.05 0.08 0.00 -0.62 -0.00 0.00 0.00 178.44 177.85 1i11 n GLU 65 N -4.48 0.35 0.02 1.13 1.02 -0.72 -3.54 120.64 114.42 1i11 n GLU 65 Ca 0.03 0.01 -0.03 0.00 -0.02 0.00 0.00 57.16 57.16 1i11 n GLU 65 Cb 0.28 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.10 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 0.53 -3.39 116.57 118.77 1i11 h LYS 66 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1i11 h LYS 66 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1i11 h LYS 66 CO 0.00 0.41 -1.04 0.66 -0.57 0.00 0.00 179.45 178.91 1i11 n TYR 67 N -2.99 0.00 -0.04 -1.35 4.01 -1.19 -4.61 117.16 111.00 1i11 n TYR 67 Ca -0.11 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1i11 n TYR 67 Cb 0.91 -0.04 -0.00 0.00 -0.31 0.00 0.00 39.34 39.90 1i11 n TYR 67 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1i11 h PRO 68 N 0.00 0.00 -3.17 -0.72 0.13 -1.76 -3.36 132.00 123.13 1i11 h PRO 68 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 1i11 h PRO 68 Cb 0.52 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.67 1i11 h PRO 68 CO 0.00 0.00 3.15 -0.25 -0.23 0.00 0.00 178.00 180.67 1i11 n ASP 69 N -3.99 6.88 0.00 1.44 8.00 -1.26 -5.17 116.55 122.46 1i11 n ASP 69 Ca -0.00 -2.45 0.00 0.00 0.71 0.00 0.00 54.79 53.05 1i11 n ASP 69 Cb 0.01 -1.33 0.02 0.00 -0.02 0.00 0.00 41.12 39.79 1i11 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81