#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 0.30 -0.89 0.54 2.46 -1.26 -4.84 115.29 111.60 1i11 s HIS 2 Ca 0.00 -1.01 -0.02 0.00 0.47 0.00 0.00 55.06 54.49 1i11 s HIS 2 Cb 0.00 -0.81 0.22 0.00 -0.13 0.00 0.00 32.58 31.86 1i11 s HIS 2 CO 0.00 -0.85 0.77 0.96 -2.47 0.00 0.00 174.74 173.15 1i11 s ILE 3 N 1.77 4.42 -0.83 0.89 -4.36 -1.26 -4.96 121.20 116.87 1i11 s ILE 3 Ca 0.12 -3.76 -0.17 0.00 -0.26 0.00 0.00 60.65 56.58 1i11 s ILE 3 Cb -0.18 -3.75 -0.12 0.00 1.25 0.00 0.00 42.46 39.67 1i11 s ILE 3 CO -0.22 -1.08 1.98 0.29 0.24 0.00 0.00 174.94 176.15 1i11 n LYS 4 N 2.45 1.71 0.01 0.37 5.02 -1.26 -4.50 118.16 121.96 1i11 n LYS 4 Ca 0.20 -1.76 -0.21 0.00 -2.02 0.00 0.00 58.31 54.52 1i11 n LYS 4 Cb 0.37 -2.80 -0.14 0.00 -0.02 0.00 0.00 35.03 32.45 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 7.38 0.24 -3.98 1.97 2.43 -1.99 -3.39 114.38 117.04 1i11 h ARG 5 Ca 0.45 -0.41 -0.71 0.00 -0.81 0.00 0.00 59.98 58.50 1i11 h ARG 5 Cb 0.52 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 1i11 h ARG 5 CO 1.81 1.19 3.13 -0.35 -1.51 0.00 0.00 179.97 184.25 1i11 n PRO 6 N -3.94 2.82 -0.03 0.20 -0.04 -1.26 -4.34 135.00 128.40 1i11 n PRO 6 Ca -0.25 -2.55 0.01 0.00 -0.04 0.00 0.00 63.50 60.68 1i11 n PRO 6 Cb 0.89 -3.25 -0.11 0.00 -0.04 0.00 0.00 33.50 30.99 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 6.04 1.05 -4.31 0.54 2.81 -1.26 -4.56 117.12 117.43 1i11 n MET 7 Ca 0.53 -0.08 -0.24 0.00 -1.81 0.00 0.00 57.70 56.10 1i11 n MET 7 Cb 0.38 -1.33 -0.12 0.00 -0.71 0.00 0.00 33.22 31.44 1i11 n MET 7 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1i11 s ASN 8 N -4.02 2.71 0.58 7.83 2.20 -1.26 -4.96 114.94 118.01 1i11 s ASN 8 Ca -0.06 -0.73 0.36 0.00 -0.94 0.00 0.00 52.86 51.49 1i11 s ASN 8 Cb 0.07 -0.16 1.74 0.00 -2.00 0.00 0.00 41.25 40.90 1i11 s ASN 8 CO 0.56 0.06 2.13 0.00 -2.94 0.00 0.00 177.10 176.91 1i11 h ALA 9 N 3.87 1.07 0.31 3.54 0.00 -1.89 -1.44 119.26 124.72 1i11 h ALA 9 Ca -0.46 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1i11 h ALA 9 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1i11 h ALA 9 CO 0.42 0.05 -0.15 0.35 0.00 0.00 0.00 179.25 179.92 1i11 h PHE 10 N 0.00 -0.38 0.00 0.00 3.57 -1.95 2.16 116.94 120.34 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 0.30 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1i11 h PHE 10 CO 0.00 -0.24 0.06 0.52 -2.23 0.00 0.00 178.31 176.42 1i11 h MET 11 N -0.74 0.00 0.06 1.11 2.86 -1.86 2.61 114.93 118.96 1i11 h MET 11 Ca -0.04 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.46 1i11 h MET 11 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1i11 h MET 11 CO 0.07 0.00 -0.66 0.28 1.06 0.00 0.00 176.91 177.66 1i11 h VAL 12 N 0.00 1.46 0.09 -2.22 2.07 -0.91 -2.37 116.25 114.38 1i11 h VAL 12 Ca 0.00 -2.39 -0.25 0.00 0.82 0.00 0.00 66.70 64.87 1i11 h VAL 12 Cb 0.11 3.06 -0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1i11 h VAL 12 CO 0.00 0.62 -1.16 -0.25 0.02 0.00 0.00 177.57 176.80 1i11 h TRP 13 N -0.69 0.39 0.00 1.57 7.01 0.56 -3.23 115.95 121.56 1i11 h TRP 13 Ca -0.14 -0.28 -0.04 0.00 2.11 0.00 0.00 58.89 60.54 1i11 h TRP 13 Cb 1.36 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 28.40 1i11 h TRP 13 CO 0.20 1.20 -0.20 0.00 -2.79 0.00 0.00 178.44 176.85 1i11 h ALA 14 N 0.69 0.99 0.00 2.65 0.00 0.43 -0.03 119.26 124.00 1i11 h ALA 14 Ca -0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1i11 h ALA 14 Cb 1.88 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1i11 h ALA 14 CO 0.18 0.25 -0.19 1.57 0.00 0.00 0.00 179.25 181.07 1i11 h LYS 15 N 0.00 0.00 0.06 0.00 2.10 -1.44 1.83 116.57 119.12 1i11 h LYS 15 Ca -0.00 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.29 1i11 h LYS 15 Cb 0.77 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.06 1i11 h LYS 15 CO 0.03 0.19 -2.13 -3.47 -2.00 0.00 0.00 179.45 172.07 1i11 n ASP 16 N -3.69 1.70 -0.25 7.07 2.03 -0.99 -1.86 116.55 120.56 1i11 n ASP 16 Ca -0.01 0.12 -0.08 0.00 0.52 0.00 0.00 54.79 55.34 1i11 n ASP 16 Cb 0.30 -0.44 0.04 0.00 -0.72 0.00 0.00 41.12 40.30 1i11 n ASP 16 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1i11 h GLU 17 N 0.03 1.12 0.03 -0.67 4.22 -0.54 1.97 114.58 120.74 1i11 h GLU 17 Ca -0.46 -0.27 -0.22 0.00 0.08 0.00 0.00 59.36 58.49 1i11 h GLU 17 Cb 2.01 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 31.11 1i11 h GLU 17 CO 0.03 0.99 -0.98 0.07 -2.18 0.00 0.00 179.01 176.95 1i11 h ARG 18 N 1.05 0.23 -0.40 1.92 0.11 0.27 0.27 114.38 117.83 1i11 h ARG 18 Ca 0.22 -0.28 -0.09 0.00 0.10 0.00 0.00 59.98 59.92 1i11 h ARG 18 Cb 0.38 0.09 -0.02 0.00 1.11 0.00 0.00 29.97 31.54 1i11 h ARG 18 CO 0.00 1.04 -0.13 0.00 0.10 0.00 0.00 179.97 180.98 1i11 h ARG 19 N 0.11 0.71 0.00 0.08 2.47 -0.75 2.23 114.38 119.23 1i11 h ARG 19 Ca -0.07 -0.24 -0.02 0.00 -1.26 0.00 0.00 59.98 58.39 1i11 h ARG 19 Cb 1.64 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.90 1i11 h ARG 19 CO 0.15 0.81 -0.11 0.87 0.56 0.00 0.00 179.97 182.25 1i11 h LYS 20 N 0.64 0.00 0.03 0.04 1.79 0.34 -2.81 116.57 116.60 1i11 h LYS 20 Ca 0.11 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.21 1i11 h LYS 20 Cb 0.59 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.18 1i11 h LYS 20 CO 0.04 0.11 -2.26 -0.89 -1.08 0.00 0.00 179.45 175.38 1i11 n ILE 21 N -3.21 1.54 0.13 1.86 -0.00 0.05 -4.09 119.36 115.65 1i11 n ILE 21 Ca 0.01 -0.69 0.14 0.00 -0.00 0.00 0.00 62.75 62.22 1i11 n ILE 21 Cb 0.42 -1.20 0.67 0.00 -0.00 0.00 0.00 39.64 39.54 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 0.02 0.00 -1.08 1.39 5.85 0.37 1.70 115.31 123.55 1i11 h LEU 22 Ca -0.50 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.19 1i11 h LEU 22 Cb 2.03 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 43.03 1i11 h LEU 22 CO -0.00 0.00 0.26 0.06 -0.34 0.00 0.00 178.44 178.42 1i11 h GLN 23 N 0.00 0.91 0.00 1.25 3.07 -1.64 1.85 115.11 120.54 1i11 h GLN 23 Ca 0.13 -0.14 -0.13 0.00 0.09 0.00 0.00 58.65 58.60 1i11 h GLN 23 Cb 0.52 -0.16 -0.02 0.00 0.08 0.00 0.00 27.48 27.90 1i11 h GLN 23 CO -0.00 0.74 -0.88 0.00 0.09 0.00 0.00 178.83 178.78 1i11 h ALA 24 N 1.39 0.65 -2.05 0.06 0.00 0.24 -3.39 119.26 116.17 1i11 h ALA 24 Ca 0.21 -0.59 -0.56 0.00 0.00 0.00 0.00 54.91 53.97 1i11 h ALA 24 Cb 0.16 0.06 -0.38 0.00 0.00 0.00 0.00 17.79 17.63 1i11 h ALA 24 CO -0.02 0.72 -1.06 1.19 0.00 0.00 0.00 179.25 180.08 1i11 n PHE 25 N -3.08 -0.60 0.42 0.00 3.72 0.51 -4.93 117.46 113.50 1i11 n PHE 25 Ca -0.03 -3.44 0.05 0.00 -0.05 0.00 0.00 57.45 53.98 1i11 n PHE 25 Cb 0.77 -0.14 0.23 0.00 -0.94 0.00 0.00 39.48 39.40 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 1.80 0.11 -0.07 -1.08 -0.04 0.61 -1.66 135.00 134.67 1i11 n PRO 26 Ca 0.23 0.23 -0.06 0.00 -0.04 0.00 0.00 63.50 63.85 1i11 n PRO 26 Cb 0.52 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.33 1.20 -4.56 3.54 9.92 -1.26 -4.78 116.55 119.28 1i11 n ASP 27 Ca 0.04 0.00 -0.17 0.00 -0.53 0.00 0.00 54.79 54.13 1i11 n ASP 27 Cb 0.08 0.95 -0.07 0.00 -0.64 0.00 0.00 41.12 41.44 1i11 n ASP 27 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1i11 s MET 28 N -2.43 1.79 1.05 -1.24 1.75 -0.67 -4.90 119.30 114.65 1i11 s MET 28 Ca -0.07 0.22 -0.16 0.00 -1.25 0.00 0.00 55.69 54.42 1i11 s MET 28 Cb 0.05 -4.87 0.22 0.00 2.84 0.00 0.00 34.83 33.07 1i11 s MET 28 CO 0.64 -4.30 1.19 -3.38 -0.65 0.00 0.00 175.02 168.52 1i11 s HIS 29 N 13.90 1.36 0.10 4.11 -3.43 -1.26 -4.29 115.29 125.78 1i11 s HIS 29 Ca 0.86 0.52 -0.20 0.00 -0.80 0.00 0.00 55.06 55.44 1i11 s HIS 29 Cb -0.11 -3.68 -0.05 0.00 -1.43 0.00 0.00 32.58 27.31 1i11 s HIS 29 CO 0.07 -3.09 1.35 -0.97 -2.00 0.00 0.00 174.74 170.10 1i11 h ASN 30 N -1.99 -1.32 -1.56 7.38 -1.24 -1.96 0.26 115.58 115.15 1i11 h ASN 30 Ca -0.46 0.19 0.45 0.00 0.71 0.00 0.00 56.30 57.19 1i11 h ASN 30 Cb 1.28 0.57 -0.06 0.00 0.73 0.00 0.00 38.32 40.84 1i11 h ASN 30 CO 0.42 -0.19 1.19 -1.54 -1.29 0.00 0.00 177.43 176.02 1i11 n SER 31 N -4.43 0.00 -0.11 1.15 3.41 -1.26 0.59 113.62 112.97 1i11 n SER 31 Ca -0.00 0.81 -0.21 0.00 -0.26 0.00 0.00 58.87 59.22 1i11 n SER 31 Cb 0.19 -0.39 -0.07 0.00 -0.26 0.00 0.00 64.21 63.68 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 -3.52 1.75 0.19 4.04 3.02 0.60 -4.29 115.26 117.06 1i11 n ASN 32 Ca 0.35 0.30 0.18 0.00 -0.03 0.00 0.00 54.58 55.38 1i11 n ASN 32 Cb 1.66 -0.71 0.73 0.00 -0.61 0.00 0.00 39.78 40.85 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 -0.88 0.18 -0.22 2.41 1.08 0.71 -0.98 117.51 119.81 1i11 h ILE 33 Ca -0.44 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.07 1i11 h ILE 33 Cb 1.35 0.60 -0.04 0.00 -3.07 0.00 0.00 36.82 35.66 1i11 h ILE 33 CO -0.27 0.00 -0.03 0.28 -0.69 0.00 0.00 178.15 177.44 1i11 h SER 34 N 0.00 -0.16 0.53 1.72 0.02 -0.04 0.48 113.55 116.11 1i11 h SER 34 Ca 0.12 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1i11 h SER 34 Cb 1.03 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 1i11 h SER 34 CO -0.00 -0.05 -0.19 0.07 -1.14 0.00 0.00 176.83 175.52 1i11 h LYS 35 N 0.03 0.00 0.21 3.45 2.10 -1.40 0.17 116.57 121.13 1i11 h LYS 35 Ca 0.11 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.75 1i11 h LYS 35 Cb 0.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 1i11 h LYS 35 CO -0.21 0.19 -0.10 0.82 -2.00 0.00 0.00 179.45 178.15 1i11 h ILE 36 N 0.00 0.70 0.98 0.07 5.03 -0.99 -1.83 117.51 121.48 1i11 h ILE 36 Ca -0.00 -1.00 -0.05 0.00 -0.12 0.00 0.00 64.86 63.69 1i11 h ILE 36 Cb 0.51 1.16 0.01 0.00 -3.03 0.00 0.00 36.82 35.46 1i11 h ILE 36 CO 0.02 0.17 -0.47 -0.07 -0.68 0.00 0.00 178.15 177.13 1i11 h LEU 37 N -0.89 -1.12 -1.37 1.44 3.38 0.06 1.24 115.31 118.05 1i11 h LEU 37 Ca -0.03 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 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 0.05 -0.78 0.11 1.23 0.09 0.00 0.00 178.44 179.13 1i11 h GLY 38 N -1.35 0.00 0.00 0.83 0.00 -1.10 2.35 103.07 103.80 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 -1.48 -1.14 0.00 0.00 0.00 176.54 174.15 1i11 n SER 39 N -2.26 0.68 0.00 0.19 3.41 -0.69 -3.21 113.62 111.75 1i11 n SER 39 Ca -0.01 -0.40 -0.13 0.00 -0.26 0.00 0.00 58.87 58.07 1i11 n SER 39 Cb 0.14 1.52 -0.14 0.00 -0.26 0.00 0.00 64.21 65.47 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 0.11 0.55 4.33 3.08 1.03 -2.97 114.38 120.50 1i11 h ARG 40 Ca 0.00 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 1i11 h ARG 40 Cb 0.71 0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.83 1i11 h ARG 40 CO 0.00 0.80 -0.27 2.35 -1.07 0.00 0.00 179.97 181.78 1i11 h TRP 41 N 0.03 -0.69 -0.00 3.04 2.91 0.32 -1.13 115.95 120.44 1i11 h TRP 41 Ca -0.30 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.71 1i11 h TRP 41 Cb 2.01 0.23 -0.00 0.00 -0.51 0.00 0.00 29.16 30.88 1i11 h TRP 41 CO 0.03 -0.36 0.01 0.87 -1.03 0.00 0.00 178.44 177.95 1i11 h LYS 42 N -0.94 0.00 0.00 2.65 1.57 -1.69 0.49 116.57 118.64 1i11 h LYS 42 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1i11 h LYS 42 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 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 -2.17 1.98 -1.23 3.86 0.00 -0.52 -4.75 120.51 117.66 1i11 n ALA 43 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1i11 n ALA 43 Cb 0.08 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 -2.27 2.55 0.00 0.00 2.81 0.17 -5.03 117.12 115.35 1i11 n MET 44 Ca 0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 1i11 n MET 44 Cb 0.33 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.84 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 -5.00 114.28 107.81 1i11 n THR 45 Ca 0.00 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1i11 n THR 45 Cb 0.00 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 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 -0.29 0.00 0.29 3.42 4.05 -1.26 -4.08 115.26 117.39 1i11 n ASN 46 Ca 0.00 0.00 0.16 0.00 0.45 0.00 0.00 54.58 55.19 1i11 n ASN 46 Cb 0.03 0.00 0.94 0.00 1.23 0.00 0.00 39.78 41.97 1i11 n ASN 46 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1i11 h LEU 47 N 0.00 0.00 -0.30 1.20 -0.00 -2.01 0.44 115.31 114.64 1i11 h LEU 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1i11 h LEU 47 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1i11 h LEU 47 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 178.44 179.65 1i11 n GLU 48 N -3.76 1.21 -0.67 1.13 4.07 -1.26 -4.10 120.64 117.26 1i11 n GLU 48 Ca -0.02 -0.30 -0.09 0.00 -0.06 0.00 0.00 57.16 56.68 1i11 n GLU 48 Cb 0.11 -1.47 0.03 0.00 -0.06 0.00 0.00 31.44 30.05 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 -0.61 1.44 -0.12 5.31 4.01 0.16 -4.49 118.16 123.86 1i11 n LYS 49 Ca 0.21 -0.89 -0.09 0.00 -0.51 0.00 0.00 58.31 57.03 1i11 n LYS 49 Cb 0.18 -1.35 -0.01 0.00 -0.51 0.00 0.00 35.03 33.34 1i11 n LYS 49 CO 0.00 0.00 0.00 1.96 -1.11 0.00 0.00 177.40 178.25 1i11 h GLN 50 N 1.12 0.50 0.02 1.97 4.20 -1.79 -2.38 115.11 118.74 1i11 h GLN 50 Ca 0.17 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 1i11 h GLN 50 Cb 1.04 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.72 1i11 h GLN 50 CO 0.42 0.41 -0.17 -1.00 -0.67 0.00 0.00 178.83 177.82 1i11 h PRO 51 N 0.46 0.08 0.00 1.46 0.13 -1.96 -3.10 132.00 129.06 1i11 h PRO 51 Ca 0.13 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1i11 h PRO 51 Cb 0.05 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.22 1i11 h PRO 51 CO -0.02 0.99 0.00 0.66 -0.23 0.00 0.00 178.00 179.39 1i11 n TYR 52 N -4.53 0.08 -0.04 1.56 4.01 -1.24 0.07 117.16 117.07 1i11 n TYR 52 Ca -0.10 0.04 -0.01 0.00 -0.16 0.00 0.00 57.90 57.66 1i11 n TYR 52 Cb 0.52 -0.56 -0.00 0.00 -0.31 0.00 0.00 39.34 38.99 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 0.00 -0.72 -1.99 -1.44 -3.15 116.97 109.68 1i11 h TYR 53 Ca 0.00 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 1i11 h TYR 53 Cb 0.14 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.87 1i11 h TYR 53 CO 0.00 0.00 -0.12 1.05 -0.00 0.00 0.00 178.16 179.09 1i11 h GLU 54 N -0.71 0.00 0.00 4.88 4.11 -1.45 -0.72 114.58 120.69 1i11 h GLU 54 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1i11 h GLU 54 Cb 0.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1i11 h GLU 54 CO 0.00 0.12 -0.09 0.93 0.07 0.00 0.00 179.01 180.04 1i11 h GLU 55 N 0.00 0.00 0.06 1.06 4.39 -0.48 -2.68 114.58 116.93 1i11 h GLU 55 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1i11 h GLU 55 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1i11 h GLU 55 CO 0.02 0.09 -0.03 -0.56 -1.16 0.00 0.00 179.01 177.37 1i11 h GLN 56 N 0.00 -0.08 -1.04 2.33 3.07 -1.08 -3.00 115.11 115.31 1i11 h GLN 56 Ca -0.00 0.01 0.28 0.00 0.09 0.00 0.00 58.65 59.03 1i11 h GLN 56 Cb 0.42 0.02 -0.07 0.00 0.08 0.00 0.00 27.48 27.94 1i11 h GLN 56 CO 0.01 0.50 0.71 0.00 0.09 0.00 0.00 178.83 180.14 1i11 h ALA 57 N -0.12 2.59 0.00 0.06 0.00 -1.47 0.72 119.26 121.05 1i11 h ALA 57 Ca -0.01 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1i11 h ALA 57 Cb 0.63 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1i11 h ALA 57 CO 0.01 -0.94 -0.56 0.07 0.00 0.00 0.00 179.25 177.83 1i11 h ARG 58 N 0.21 0.00 0.00 0.00 -0.00 -1.43 -2.71 114.38 110.46 1i11 h ARG 58 Ca 0.54 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 60.48 1i11 h ARG 58 Cb 1.72 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.69 1i11 h ARG 58 CO -0.15 0.56 -0.22 -0.07 -0.00 0.00 0.00 179.97 180.09 1i11 h LEU 59 N 0.00 0.00 -0.27 0.08 3.38 0.60 0.87 115.31 119.97 1i11 h LEU 59 Ca -0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1i11 h LEU 59 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1i11 h LEU 59 CO 0.07 0.22 -0.88 0.28 0.09 0.00 0.00 178.44 178.21 1i11 h SER 60 N 0.00 0.24 0.02 -0.43 0.02 -1.15 0.79 113.55 113.05 1i11 h SER 60 Ca -0.00 -0.20 -0.22 0.00 -0.84 0.00 0.00 61.79 60.53 1i11 h SER 60 Cb 0.72 -0.07 0.02 0.00 0.14 0.00 0.00 62.40 63.21 1i11 h SER 60 CO 0.03 1.01 -0.87 0.50 -1.14 0.00 0.00 176.83 176.36 1i11 h LYS 61 N 0.10 0.55 0.00 3.45 3.64 -1.30 -3.04 116.57 119.97 1i11 h LYS 61 Ca -0.04 -0.62 0.00 0.00 -1.27 0.00 0.00 60.65 58.71 1i11 h LYS 61 Cb 1.52 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.52 1i11 h LYS 61 CO 0.13 1.24 0.00 1.04 -2.27 0.00 0.00 179.45 179.59 1i11 n GLN 62 N -4.02 0.09 -0.02 1.90 1.13 0.25 -2.77 117.38 113.95 1i11 n GLN 62 Ca -0.11 0.11 -0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1i11 n GLN 62 Cb 0.80 -1.61 -0.00 0.00 0.11 0.00 0.00 30.24 29.54 1i11 n GLN 62 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1i11 h HIS 63 N 0.00 -0.03 -0.28 1.08 2.76 -0.78 -3.31 115.15 114.59 1i11 h HIS 63 Ca 0.00 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.25 1i11 h HIS 63 Cb 0.54 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.50 1i11 h HIS 63 CO 0.00 -0.02 0.22 -0.07 -1.30 0.00 0.00 177.93 176.76 1i11 h LEU 64 N -0.61 0.00 -2.03 0.26 3.38 -1.65 0.34 115.31 115.01 1i11 h LEU 64 Ca -0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1i11 h LEU 64 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1i11 h LEU 64 CO 0.01 0.00 0.36 1.05 0.09 0.00 0.00 178.44 179.94 1i11 h GLU 65 N 0.00 0.00 0.14 1.13 -0.00 -1.61 1.71 114.58 115.95 1i11 h GLU 65 Ca 0.13 0.00 -0.30 0.00 -0.00 0.00 0.00 59.36 59.19 1i11 h GLU 65 Cb 0.56 0.00 0.03 0.00 -0.00 0.00 0.00 28.75 29.34 1i11 h GLU 65 CO -0.00 0.00 -1.28 0.87 -0.00 0.00 0.00 179.01 178.60 1i11 h LYS 66 N 0.00 0.60 -2.10 1.06 1.57 -0.39 -3.38 116.57 113.93 1i11 h LYS 66 Ca 0.22 -0.83 -0.52 0.00 -1.87 0.00 0.00 60.65 57.64 1i11 h LYS 66 Cb 0.93 0.28 -0.41 0.00 0.08 0.00 0.00 32.23 33.12 1i11 h LYS 66 CO -0.00 1.38 -1.00 0.66 -0.57 0.00 0.00 179.45 179.92 1i11 n TYR 67 N -3.77 1.48 0.00 -1.35 4.02 0.69 -4.93 117.16 113.30 1i11 n TYR 67 Ca -0.14 -3.87 -0.00 0.00 -0.01 0.00 0.00 57.90 53.88 1i11 n TYR 67 Cb 1.01 -0.44 -0.00 0.00 -0.02 0.00 0.00 39.34 39.88 1i11 n TYR 67 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1i11 h PRO 68 N 3.11 -0.01 -0.96 -0.72 0.13 0.22 -3.35 132.00 130.42 1i11 h PRO 68 Ca 0.11 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.05 1i11 h PRO 68 Cb 0.81 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.83 1i11 h PRO 68 CO 0.61 -0.01 0.24 -3.47 -0.23 0.00 0.00 178.00 175.14 1i11 n ASP 69 N -2.25 3.31 0.00 1.44 2.03 -1.26 -5.07 116.55 114.76 1i11 n ASP 69 Ca -0.00 -2.67 0.01 0.00 0.52 0.00 0.00 54.79 52.65 1i11 n ASP 69 Cb 0.01 -0.64 0.06 0.00 -0.72 0.00 0.00 41.12 39.83 1i11 n ASP 69 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28