#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 -1.54 -3.86 0.54 8.25 -1.26 -4.99 115.22 112.36 1i11 n HIS 2 Ca 0.00 0.54 -0.32 0.00 -0.26 0.00 0.00 57.72 57.68 1i11 n HIS 2 Cb 0.00 -3.48 -0.12 0.00 1.12 0.00 0.00 29.99 27.51 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 -3.23 3.05 -1.10 1.59 -4.36 -1.26 -5.01 121.20 110.89 1i11 s ILE 3 Ca 0.27 -3.40 -0.21 0.00 -0.26 0.00 0.00 60.65 57.05 1i11 s ILE 3 Cb -0.03 -3.04 -0.07 0.00 1.25 0.00 0.00 42.46 40.56 1i11 s ILE 3 CO 0.46 -0.87 1.93 0.29 0.24 0.00 0.00 174.94 176.99 1i11 n LYS 4 N 3.00 1.97 0.07 0.37 5.02 -1.26 -4.69 118.16 122.63 1i11 n LYS 4 Ca 0.09 -2.41 -0.13 0.00 -2.02 0.00 0.00 58.31 53.84 1i11 n LYS 4 Cb 0.34 -3.37 -0.09 0.00 -0.02 0.00 0.00 35.03 31.90 1i11 n LYS 4 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1i11 h ARG 5 N 8.33 -0.17 -4.13 1.97 9.65 -2.01 -3.32 114.38 124.70 1i11 h ARG 5 Ca 0.36 0.01 -0.70 0.00 -1.10 0.00 0.00 59.98 58.55 1i11 h ARG 5 Cb 0.80 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.39 1i11 h ARG 5 CO 1.59 0.18 3.03 -0.35 2.80 0.00 0.00 179.97 187.22 1i11 n PRO 6 N -5.00 2.77 -0.02 0.20 -0.04 -1.26 -4.57 135.00 127.08 1i11 n PRO 6 Ca -0.09 -2.58 -0.10 0.00 -0.04 0.00 0.00 63.50 60.69 1i11 n PRO 6 Cb 0.22 -3.28 -0.14 0.00 -0.04 0.00 0.00 33.50 30.27 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 6.29 0.64 -4.03 0.54 2.81 -1.25 -4.88 117.12 117.23 1i11 n MET 7 Ca 0.52 0.30 -0.11 0.00 -1.81 0.00 0.00 57.70 56.59 1i11 n MET 7 Cb 0.39 -1.79 -0.05 0.00 -0.71 0.00 0.00 33.22 31.07 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 -6.19 0.25 0.44 7.83 3.04 -1.26 -5.00 114.94 114.05 1i11 s ASN 8 Ca -0.06 -1.16 0.30 0.00 0.04 0.00 0.00 52.86 51.98 1i11 s ASN 8 Cb 0.08 0.61 1.49 0.00 -1.54 0.00 0.00 41.25 41.89 1i11 s ASN 8 CO 0.82 -1.20 1.92 0.00 -3.04 0.00 0.00 177.10 175.60 1i11 h ALA 9 N 2.23 1.00 0.27 1.71 0.00 -1.88 -2.36 119.26 120.23 1i11 h ALA 9 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1i11 h ALA 9 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1i11 h ALA 9 CO 0.38 0.00 -0.13 0.35 0.00 0.00 0.00 179.25 179.85 1i11 h PHE 10 N 0.00 -0.33 0.00 0.00 3.57 -1.94 2.32 116.94 120.56 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 0.19 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1i11 h PHE 10 CO 0.00 -0.21 0.07 0.52 -2.23 0.00 0.00 178.31 176.46 1i11 h MET 11 N -0.61 0.00 0.06 1.11 2.86 -1.84 2.57 114.93 119.09 1i11 h MET 11 Ca -0.04 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.47 1i11 h MET 11 Cb 0.28 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 1i11 h MET 11 CO 0.06 0.00 -0.66 0.28 1.06 0.00 0.00 176.91 177.65 1i11 h VAL 12 N 0.00 1.45 0.05 -2.22 2.07 -1.06 -2.54 116.25 113.99 1i11 h VAL 12 Ca 0.00 -2.38 -0.23 0.00 0.82 0.00 0.00 66.70 64.91 1i11 h VAL 12 Cb 0.14 3.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.93 1i11 h VAL 12 CO 0.00 0.61 -1.08 -0.25 0.02 0.00 0.00 177.57 176.87 1i11 h TRP 13 N -0.72 0.20 0.00 1.57 7.01 0.60 -3.23 115.95 121.37 1i11 h TRP 13 Ca -0.15 -0.14 -0.03 0.00 2.11 0.00 0.00 58.89 60.68 1i11 h TRP 13 Cb 1.35 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 28.40 1i11 h TRP 13 CO 0.20 1.10 -0.16 0.00 -2.79 0.00 0.00 178.44 176.79 1i11 h ALA 14 N 0.85 0.96 -0.01 2.65 0.00 0.42 -1.77 119.26 122.37 1i11 h ALA 14 Ca -0.06 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1i11 h ALA 14 Cb 1.82 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1i11 h ALA 14 CO 0.16 0.20 -0.28 1.57 0.00 0.00 0.00 179.25 180.90 1i11 h LYS 15 N 0.00 0.01 0.04 0.00 2.10 -1.47 1.45 116.57 118.71 1i11 h LYS 15 Ca -0.00 -0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.31 1i11 h LYS 15 Cb 0.83 -0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.11 1i11 h LYS 15 CO 0.02 0.29 -1.93 -3.47 -2.00 0.00 0.00 179.45 172.36 1i11 n ASP 16 N -4.20 1.30 -0.00 7.07 2.03 -1.16 -2.27 116.55 119.32 1i11 n ASP 16 Ca -0.02 0.26 -0.03 0.00 0.52 0.00 0.00 54.79 55.52 1i11 n ASP 16 Cb 0.33 -0.26 0.22 0.00 -0.72 0.00 0.00 41.12 40.69 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 0.03 0.53 0.03 -0.67 4.39 -0.86 1.81 114.58 119.84 1i11 h GLU 17 Ca -0.38 -0.17 -0.24 0.00 0.34 0.00 0.00 59.36 58.91 1i11 h GLU 17 Cb 2.04 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 30.65 1i11 h GLU 17 CO 0.07 0.68 -1.03 0.07 -1.16 0.00 0.00 179.01 177.64 1i11 h ARG 18 N 0.48 0.43 -0.34 2.33 -0.00 0.19 0.18 114.38 117.65 1i11 h ARG 18 Ca 0.08 -0.51 -0.12 0.00 -0.00 0.00 0.00 59.98 59.43 1i11 h ARG 18 Cb 0.56 0.16 -0.01 0.00 -0.00 0.00 0.00 29.97 30.67 1i11 h ARG 18 CO 0.04 1.17 -0.28 0.07 -0.00 0.00 0.00 179.97 180.96 1i11 h ARG 19 N 0.22 0.72 0.00 0.08 -0.00 -0.96 2.07 114.38 116.52 1i11 h ARG 19 Ca -0.10 -0.31 -0.02 0.00 -0.00 0.00 0.00 59.98 59.54 1i11 h ARG 19 Cb 1.68 -0.02 -0.00 0.00 -0.00 0.00 0.00 29.97 31.63 1i11 h ARG 19 CO 0.18 0.91 -0.12 -0.22 -0.00 0.00 0.00 179.97 180.73 1i11 h LYS 20 N 0.61 0.00 0.02 0.08 1.63 0.30 -2.96 116.57 116.25 1i11 h LYS 20 Ca 0.08 0.00 -0.39 0.00 -0.85 0.00 0.00 60.65 59.48 1i11 h LYS 20 Cb 0.79 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.36 1i11 h LYS 20 CO 0.06 0.12 -2.30 -0.89 -3.45 0.00 0.00 179.45 172.99 1i11 n ILE 21 N -3.23 1.55 -0.27 2.00 5.41 0.61 -4.01 119.36 121.42 1i11 n ILE 21 Ca 0.01 -0.48 0.29 0.00 1.00 0.00 0.00 62.75 63.57 1i11 n ILE 21 Cb 0.40 -1.67 0.67 0.00 -0.71 0.00 0.00 39.64 38.34 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 -0.38 0.13 -0.83 1.39 5.85 0.33 2.91 115.31 124.71 1i11 h LEU 22 Ca -0.57 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.08 1i11 h LEU 22 Cb 1.78 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.79 1i11 h LEU 22 CO -0.17 0.03 -0.12 0.06 -0.34 0.00 0.00 178.44 177.89 1i11 h GLN 23 N 0.11 0.74 0.00 1.25 3.07 -1.68 1.74 115.11 120.35 1i11 h GLN 23 Ca 0.52 -0.25 0.00 0.00 0.09 0.00 0.00 58.65 59.01 1i11 h GLN 23 Cb 1.83 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 29.33 1i11 h GLN 23 CO -0.08 0.84 -0.25 0.00 0.09 0.00 0.00 178.83 179.43 1i11 n ALA 24 N -2.49 2.57 -2.91 0.06 0.00 0.83 -4.34 120.51 114.24 1i11 n ALA 24 Ca 0.01 -0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 1i11 n ALA 24 Cb 0.37 -1.35 -0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.13 -2.55 0.74 0.00 3.72 0.61 -4.96 117.46 112.89 1i11 n PHE 25 Ca 0.05 -2.23 0.06 0.00 -0.05 0.00 0.00 57.45 55.28 1i11 n PHE 25 Cb 0.42 0.99 0.36 0.00 -0.94 0.00 0.00 39.48 40.32 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 0.33 -0.04 -1.08 -0.04 0.58 -1.43 135.00 135.30 1i11 n PRO 26 Ca 0.16 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1i11 n PRO 26 Cb 0.58 -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 -3.47 -0.04 0.00 0.00 175.50 171.99 1i11 n ASP 27 N -1.09 1.13 -4.56 3.54 -0.08 -1.26 -4.80 116.55 109.43 1i11 n ASP 27 Ca 0.09 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.13 1i11 n ASP 27 Cb 0.06 1.31 -0.05 0.00 2.34 0.00 0.00 41.12 44.78 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 -2.76 1.91 0.87 -0.67 1.75 -0.51 -4.90 119.30 114.99 1i11 s MET 28 Ca -0.07 0.67 -0.15 0.00 -1.25 0.00 0.00 55.69 54.89 1i11 s MET 28 Cb 0.08 -4.73 0.20 0.00 2.84 0.00 0.00 34.83 33.22 1i11 s MET 28 CO 0.67 -3.89 1.06 -2.39 -0.65 0.00 0.00 175.02 169.82 1i11 n HIS 29 N 16.99 -3.93 -0.04 4.11 1.44 -1.26 -4.30 115.22 128.22 1i11 n HIS 29 Ca 0.41 -0.94 -0.04 0.00 -2.01 0.00 0.00 57.72 55.15 1i11 n HIS 29 Cb 0.48 -0.88 -0.03 0.00 0.12 0.00 0.00 29.99 29.68 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 -1.72 -0.55 0.00 4.39 -0.26 -1.98 0.14 115.58 115.61 1i11 h ASN 30 Ca -0.35 0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.46 1i11 h ASN 30 Cb 1.00 0.22 0.00 0.00 -1.06 0.00 0.00 38.32 38.48 1i11 h ASN 30 CO 0.25 -0.12 0.88 -1.28 -1.06 0.00 0.00 177.43 176.10 1i11 h SER 31 N -0.12 0.00 0.00 5.81 0.87 -2.00 -0.42 113.55 117.70 1i11 h SER 31 Ca 0.02 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.47 1i11 h SER 31 Cb 0.17 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 1i11 h SER 31 CO -0.17 0.00 -1.17 0.59 -0.53 0.00 0.00 176.83 175.55 1i11 n ASN 32 N -2.55 1.64 -0.14 6.23 5.03 0.24 -4.41 115.26 121.30 1i11 n ASN 32 Ca -0.00 0.27 0.26 0.00 0.87 0.00 0.00 54.58 55.98 1i11 n ASN 32 Cb 0.89 -0.62 0.71 0.00 -1.02 0.00 0.00 39.78 39.74 1i11 n ASN 32 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1i11 h ILE 33 N -0.74 0.60 -0.11 2.41 1.08 -0.43 -0.41 117.51 119.90 1i11 h ILE 33 Ca -0.16 -0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.34 1i11 h ILE 33 Cb 0.96 0.59 -0.04 0.00 -3.07 0.00 0.00 36.82 35.26 1i11 h ILE 33 CO -0.10 0.00 -0.11 -1.28 -0.69 0.00 0.00 178.15 175.97 1i11 h SER 34 N 0.00 -0.35 0.44 1.72 0.87 -1.29 1.35 113.55 116.29 1i11 h SER 34 Ca 0.38 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.96 1i11 h SER 34 Cb 1.54 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.66 1i11 h SER 34 CO -0.01 -0.15 -0.25 0.07 -0.53 0.00 0.00 176.83 175.96 1i11 h LYS 35 N -0.14 0.00 0.43 2.24 2.10 -1.30 -0.09 116.57 119.81 1i11 h LYS 35 Ca 0.08 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.71 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 -0.19 0.25 -0.21 0.82 -2.00 0.00 0.00 179.45 178.12 1i11 h ILE 36 N 0.00 0.00 -0.18 0.07 5.03 -0.20 -0.20 117.51 122.03 1i11 h ILE 36 Ca -0.00 -0.27 0.03 0.00 -0.12 0.00 0.00 64.86 64.49 1i11 h ILE 36 Cb 0.54 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.27 1i11 h ILE 36 CO 0.03 0.00 -0.48 -0.07 -0.68 0.00 0.00 178.15 176.95 1i11 h LEU 37 N -0.85 -1.55 0.00 1.44 3.38 0.18 1.50 115.31 119.41 1i11 h LEU 37 Ca -0.06 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1i11 h LEU 37 Cb 0.44 0.61 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1i11 h LEU 37 CO 0.10 -0.41 0.02 0.61 0.09 0.00 0.00 178.44 178.86 1i11 n GLY 38 N -1.37 -0.35 0.01 0.83 0.00 -0.06 0.12 105.19 104.37 1i11 n GLY 38 Ca -0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.34 0.59 -0.01 1.61 2.88 0.45 -3.11 113.62 114.69 1i11 n SER 39 Ca 0.00 -0.15 -0.12 0.00 -1.33 0.00 0.00 58.87 57.27 1i11 n SER 39 Cb 0.02 1.75 -0.14 0.00 -0.75 0.00 0.00 64.21 65.10 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 0.09 0.52 -1.46 3.08 0.73 -2.92 114.38 114.42 1i11 h ARG 40 Ca 0.00 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 1i11 h ARG 40 Cb 0.82 0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.93 1i11 h ARG 40 CO 0.00 0.74 -0.25 2.35 -1.07 0.00 0.00 179.97 181.74 1i11 h TRP 41 N 0.02 -0.65 -0.02 3.04 2.91 0.27 0.39 115.95 121.91 1i11 h TRP 41 Ca -0.31 -0.02 0.01 0.00 1.13 0.00 0.00 58.89 59.70 1i11 h TRP 41 Cb 2.01 0.21 -0.00 0.00 -0.51 0.00 0.00 29.16 30.88 1i11 h TRP 41 CO 0.03 -0.33 0.02 0.87 -1.03 0.00 0.00 178.44 178.01 1i11 h LYS 42 N -0.94 0.00 -0.26 2.65 1.57 -1.70 0.95 116.57 118.84 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 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1i11 h LYS 42 CO 0.12 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.00 1i11 n ALA 43 N -2.30 2.48 -1.30 3.86 0.00 -0.66 -4.90 120.51 117.69 1i11 n ALA 43 Ca -0.02 -0.58 -0.01 0.00 0.00 0.00 0.00 53.44 52.82 1i11 n ALA 43 Cb 0.11 -1.03 0.01 0.00 0.00 0.00 0.00 19.45 18.54 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 0.45 0.08 -3.89 0.00 2.81 0.33 -4.96 117.12 111.94 1i11 n MET 44 Ca 0.14 -0.09 -0.30 0.00 -1.81 0.00 0.00 57.70 55.64 1i11 n MET 44 Cb 0.32 -0.05 -0.15 0.00 -0.71 0.00 0.00 33.22 32.63 1i11 n MET 44 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1i11 s THR 45 N -0.86 1.81 0.04 2.03 -4.23 -1.26 -4.99 115.64 108.18 1i11 s THR 45 Ca 0.03 -2.22 0.01 0.00 -1.18 0.00 0.00 61.69 58.33 1i11 s THR 45 Cb -0.00 -2.33 0.04 0.00 1.34 0.00 0.00 72.50 71.55 1i11 s THR 45 CO 0.02 -0.68 0.17 -3.20 -0.54 0.00 0.00 174.62 170.39 1i11 n ASN 46 N 4.21 0.00 0.28 3.99 2.85 -1.26 0.44 115.26 125.78 1i11 n ASN 46 Ca 0.03 0.18 0.18 0.00 -0.11 0.00 0.00 54.58 54.87 1i11 n ASN 46 Cb 0.40 -0.07 0.82 0.00 1.24 0.00 0.00 39.78 42.16 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 6.46 -2.04 -2.70 115.31 118.23 1i11 h LEU 47 Ca 0.08 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.78 1i11 h LEU 47 Cb 0.17 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 1i11 h LEU 47 CO -0.10 0.00 -0.58 -0.08 -0.62 0.00 0.00 178.44 177.06 1i11 h GLU 48 N 0.00 0.00 -0.98 1.25 4.57 0.88 -3.30 114.58 117.00 1i11 h GLU 48 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1i11 h GLU 48 Cb 0.35 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1i11 h GLU 48 CO 0.00 0.20 0.00 1.63 -1.18 0.00 0.00 179.01 179.66 1i11 n LYS 49 N -3.02 0.98 0.01 1.92 5.02 -1.02 -4.16 118.16 117.90 1i11 n LYS 49 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.18 1i11 n LYS 49 Cb 0.64 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 34.12 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 0.02 0.07 0.08 1.97 4.20 -1.75 -2.54 115.11 117.16 1i11 h GLN 50 Ca 0.00 -0.01 -0.25 0.00 0.06 0.00 0.00 58.65 58.46 1i11 h GLN 50 Cb 0.51 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.30 1i11 h GLN 50 CO 0.00 0.09 -1.01 -1.00 -0.67 0.00 0.00 178.83 176.24 1i11 h PRO 51 N 0.03 0.54 0.00 1.46 0.13 -1.91 -3.05 132.00 129.19 1i11 h PRO 51 Ca 0.02 -0.69 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1i11 h PRO 51 Cb 0.04 0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.39 1i11 h PRO 51 CO -0.00 1.29 0.00 0.66 -0.23 0.00 0.00 178.00 179.72 1i11 n TYR 52 N -3.95 0.27 -0.06 1.56 4.01 -1.23 -0.06 117.16 117.70 1i11 n TYR 52 Ca -0.13 0.13 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 1i11 n TYR 52 Cb 0.88 -0.70 -0.05 0.00 -0.31 0.00 0.00 39.34 39.16 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 -0.21 -0.72 0.05 -1.35 -3.25 116.97 111.50 1i11 h TYR 53 Ca 0.00 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.64 1i11 h TYR 53 Cb 0.12 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 1i11 h TYR 53 CO 0.00 0.38 -0.44 0.93 -1.05 0.00 0.00 178.16 177.98 1i11 h GLU 54 N -1.00 0.52 0.00 4.88 5.08 -1.42 -2.53 114.58 120.11 1i11 h GLU 54 Ca -0.03 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1i11 h GLU 54 Cb 0.45 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1i11 h GLU 54 CO -0.02 0.86 0.00 0.93 -1.00 0.00 0.00 179.01 179.78 1i11 h GLU 55 N 0.42 0.00 0.03 2.33 4.39 -0.63 -1.31 114.58 119.81 1i11 h GLU 55 Ca 0.03 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.58 1i11 h GLU 55 Cb 0.94 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 1i11 h GLU 55 CO 0.08 0.00 -0.80 0.37 -1.16 0.00 0.00 179.01 177.50 1i11 h GLN 56 N 0.00 0.07 -0.66 2.33 -0.00 -1.49 -3.15 115.11 112.22 1i11 h GLN 56 Ca 0.00 -0.12 0.15 0.00 -0.00 0.00 0.00 58.65 58.68 1i11 h GLN 56 Cb 0.07 0.05 -0.04 0.00 0.00 0.00 0.00 27.48 27.56 1i11 h GLN 56 CO 0.00 1.06 0.45 0.00 0.00 0.00 0.00 178.83 180.34 1i11 h ALA 57 N -0.18 2.27 0.50 3.38 0.00 -1.09 0.71 119.26 124.85 1i11 h ALA 57 Ca -0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1i11 h ALA 57 Cb 1.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1i11 h ALA 57 CO -0.05 -0.45 -0.24 0.00 0.00 0.00 0.00 179.25 178.51 1i11 h ARG 58 N 0.25 -0.65 0.00 0.00 2.47 -1.36 -2.46 114.38 112.64 1i11 h ARG 58 Ca 0.32 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.08 1i11 h ARG 58 Cb 0.90 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 1i11 h ARG 58 CO -0.07 -0.43 0.00 1.47 0.56 0.00 0.00 179.97 181.50 1i11 n LEU 59 N -4.96 0.23 0.07 3.04 -0.00 -0.92 -1.32 117.00 113.14 1i11 n LEU 59 Ca -0.08 0.59 -0.18 0.00 -0.00 0.00 0.00 56.01 56.33 1i11 n LEU 59 Cb 0.26 -0.59 -0.10 0.00 -0.00 0.00 0.00 43.42 42.99 1i11 n LEU 59 CO 0.20 -0.57 0.05 -1.28 -0.00 0.00 0.00 177.39 175.79 1i11 h SER 60 N 0.00 0.75 -0.58 1.45 0.87 0.68 -2.40 113.55 114.31 1i11 h SER 60 Ca 0.00 -0.64 -0.01 0.00 -1.23 0.00 0.00 61.79 59.90 1i11 h SER 60 Cb 0.10 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 1i11 h SER 60 CO 0.00 1.45 0.31 0.50 -0.53 0.00 0.00 176.83 178.56 1i11 h LYS 61 N 0.28 0.82 0.00 2.24 1.63 -0.74 -0.79 116.57 120.01 1i11 h LYS 61 Ca -0.13 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 1i11 h LYS 61 Cb 1.75 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 33.23 1i11 h LYS 61 CO 0.20 0.64 0.00 1.96 -3.45 0.00 0.00 179.45 178.80 1i11 h GLN 62 N 0.79 0.00 0.23 1.90 1.08 -1.54 -3.12 115.11 114.45 1i11 h GLN 62 Ca 0.20 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.39 1i11 h GLN 62 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1i11 h GLN 62 CO -0.03 0.00 -0.11 1.25 -0.95 0.00 0.00 178.83 178.99 1i11 h HIS 63 N 0.00 -0.28 -0.94 2.96 2.76 -0.61 -3.18 115.15 115.86 1i11 h HIS 63 Ca 0.00 -0.01 0.20 0.00 -2.20 0.00 0.00 60.37 58.36 1i11 h HIS 63 Cb 0.46 0.09 -0.11 0.00 1.55 0.00 0.00 27.41 29.41 1i11 h HIS 63 CO 0.00 -0.17 0.51 -0.07 -1.30 0.00 0.00 177.93 176.90 1i11 h LEU 64 N -0.57 0.59 -2.04 0.26 4.07 -1.57 1.16 115.31 117.21 1i11 h LEU 64 Ca -0.03 0.12 0.07 0.00 0.08 0.00 0.00 57.88 58.12 1i11 h LEU 64 Cb 0.23 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 1i11 h LEU 64 CO 0.05 0.16 0.36 1.05 -1.08 0.00 0.00 178.44 178.99 1i11 h GLU 65 N 0.61 0.00 0.41 1.13 -0.00 -1.61 -2.10 114.58 113.02 1i11 h GLU 65 Ca 0.56 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.90 1i11 h GLU 65 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.68 1i11 h GLU 65 CO -0.43 0.00 -0.20 0.87 -0.00 0.00 0.00 179.01 179.25 1i11 h LYS 66 N 0.00 -0.53 -2.90 1.06 1.57 0.14 -3.39 116.57 112.52 1i11 h LYS 66 Ca 0.12 0.04 -0.65 0.00 -1.87 0.00 0.00 60.65 58.29 1i11 h LYS 66 Cb 0.85 0.12 -0.40 0.00 0.08 0.00 0.00 32.23 32.88 1i11 h LYS 66 CO -0.00 -0.35 -0.39 2.48 -0.57 0.00 0.00 179.45 180.62 1i11 n TYR 67 N -5.14 3.56 0.00 -1.35 0.18 -0.80 -4.90 117.16 108.70 1i11 n TYR 67 Ca -0.07 -4.14 0.00 0.00 1.88 0.00 0.00 57.90 55.57 1i11 n TYR 67 Cb 0.22 -0.77 0.00 0.00 -0.38 0.00 0.00 39.34 38.41 1i11 n TYR 67 CO 0.00 0.00 0.00 -0.35 -2.08 0.00 0.00 176.86 174.43 1i11 n PRO 68 N 1.71 0.00 -1.64 -3.48 -0.04 -1.13 -4.15 135.00 126.26 1i11 n PRO 68 Ca 0.23 0.40 -0.36 0.00 -0.04 0.00 0.00 63.50 63.73 1i11 n PRO 68 Cb 0.37 -0.96 -0.03 0.00 -0.04 0.00 0.00 33.50 32.84 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 -1.69 7.87 0.00 3.54 9.92 -1.26 -5.14 116.55 129.80 1i11 n ASP 69 Ca 0.00 -2.92 0.01 0.00 -0.53 0.00 0.00 54.79 51.35 1i11 n ASP 69 Cb 0.00 -1.41 0.06 0.00 -0.64 0.00 0.00 41.12 39.13 1i11 n ASP 69 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33