#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 -0.82 -1.92 6.00 8.25 -1.26 -4.77 115.22 120.70 1i11 n HIS 2 Ca 0.00 0.35 -0.37 0.00 -0.26 0.00 0.00 57.72 57.44 1i11 n HIS 2 Cb 0.00 -1.36 -0.01 0.00 1.12 0.00 0.00 29.99 29.73 1i11 n HIS 2 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1i11 n ILE 3 N 0.94 4.80 -0.95 1.59 5.41 -1.26 -4.77 119.36 125.12 1i11 n ILE 3 Ca -0.02 -4.15 -0.12 0.00 1.00 0.00 0.00 62.75 59.47 1i11 n ILE 3 Cb 0.51 -1.88 -0.11 0.00 -0.71 0.00 0.00 39.64 37.45 1i11 n ILE 3 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1i11 n LYS 4 N 1.27 1.84 -0.09 0.38 5.02 -1.26 -4.32 118.16 121.00 1i11 n LYS 4 Ca 0.57 -0.99 -0.17 0.00 -2.02 0.00 0.00 58.31 55.70 1i11 n LYS 4 Cb 0.32 -1.79 -0.11 0.00 -0.02 0.00 0.00 35.03 33.43 1i11 n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i11 h ARG 5 N 2.52 0.00 -4.88 1.97 2.47 -1.99 -3.40 114.38 111.06 1i11 h ARG 5 Ca 0.18 0.00 -0.68 0.00 -1.26 0.00 0.00 59.98 58.22 1i11 h ARG 5 Cb 1.28 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.55 1i11 h ARG 5 CO 0.29 0.93 2.63 -0.35 0.56 0.00 0.00 179.97 184.03 1i11 n PRO 6 N -4.52 2.91 -0.01 0.04 -0.04 -1.26 -4.64 135.00 127.48 1i11 n PRO 6 Ca -0.21 -2.86 -0.16 0.00 -0.04 0.00 0.00 63.50 60.23 1i11 n PRO 6 Cb 0.56 -3.38 -0.14 0.00 -0.04 0.00 0.00 33.50 30.50 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 7.21 0.70 -4.55 0.54 2.81 -1.26 -4.91 117.12 117.67 1i11 n MET 7 Ca 0.50 0.27 -0.27 0.00 -1.81 0.00 0.00 57.70 56.39 1i11 n MET 7 Cb 0.42 -1.74 -0.08 0.00 -0.71 0.00 0.00 33.22 31.12 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 -6.61 3.01 0.52 7.83 3.84 -1.26 -5.01 114.94 117.26 1i11 s ASN 8 Ca -0.15 -1.70 0.28 0.00 0.21 0.00 0.00 52.86 51.51 1i11 s ASN 8 Cb 0.07 0.55 1.38 0.00 -0.55 0.00 0.00 41.25 42.71 1i11 s ASN 8 CO 0.79 -0.95 2.02 0.00 -2.79 0.00 0.00 177.10 176.18 1i11 h ALA 9 N 1.70 1.17 0.32 1.71 0.00 -1.89 -1.73 119.26 120.54 1i11 h ALA 9 Ca -0.36 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1i11 h ALA 9 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1i11 h ALA 9 CO 0.58 0.16 -0.16 0.35 0.00 0.00 0.00 179.25 180.18 1i11 h PHE 10 N 0.00 -0.40 0.00 0.00 3.57 -1.95 2.28 116.94 120.44 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 0.43 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1i11 h PHE 10 CO 0.00 -0.25 0.15 0.52 -2.23 0.00 0.00 178.31 176.50 1i11 h MET 11 N -0.77 0.00 0.03 1.11 2.86 -1.86 2.52 114.93 118.81 1i11 h MET 11 Ca -0.04 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1i11 h MET 11 Cb 0.33 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 1i11 h MET 11 CO 0.07 0.00 -0.32 0.28 1.06 0.00 0.00 176.91 178.00 1i11 h VAL 12 N 0.00 1.63 0.00 -2.22 2.07 -0.88 -2.73 116.25 114.13 1i11 h VAL 12 Ca 0.00 -2.36 -0.19 0.00 0.82 0.00 0.00 66.70 64.97 1i11 h VAL 12 Cb 0.31 3.21 -0.02 0.00 -1.52 0.00 0.00 31.29 33.26 1i11 h VAL 12 CO 0.00 0.59 -0.90 -0.25 0.02 0.00 0.00 177.57 177.03 1i11 h TRP 13 N -0.88 0.04 0.00 1.57 7.01 0.61 -3.15 115.95 121.15 1i11 h TRP 13 Ca -0.07 -0.03 -0.04 0.00 2.11 0.00 0.00 58.89 60.86 1i11 h TRP 13 Cb 1.16 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.21 1i11 h TRP 13 CO 0.24 0.91 -0.18 0.00 -2.79 0.00 0.00 178.44 176.62 1i11 h ALA 14 N 1.08 0.99 -0.24 2.65 0.00 0.41 -1.61 119.26 122.54 1i11 h ALA 14 Ca -0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1i11 h ALA 14 Cb 1.59 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1i11 h ALA 14 CO 0.12 0.23 -0.02 0.87 0.00 0.00 0.00 179.25 180.45 1i11 h LYS 15 N 0.00 0.35 0.13 0.00 1.79 -1.43 1.69 116.57 119.11 1i11 h LYS 15 Ca -0.00 -0.06 -0.34 0.00 -2.18 0.00 0.00 60.65 58.06 1i11 h LYS 15 Cb 0.77 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 1i11 h LYS 15 CO 0.02 0.40 -1.77 0.22 -1.08 0.00 0.00 179.45 177.24 1i11 h ASP 16 N 0.34 0.43 -0.08 0.86 1.82 -1.65 -2.76 116.42 115.39 1i11 h ASP 16 Ca 0.08 -0.74 -0.02 0.00 -0.39 0.00 0.00 57.03 55.95 1i11 h ASP 16 Cb 0.27 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.13 1i11 h ASP 16 CO 0.01 1.64 -0.01 -0.33 -1.61 0.00 0.00 179.24 178.95 1i11 h GLU 17 N 0.08 0.23 -0.17 0.28 4.39 -0.72 2.17 114.58 120.84 1i11 h GLU 17 Ca -0.34 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.29 1i11 h GLU 17 Cb 2.05 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.65 1i11 h GLU 17 CO 0.14 0.26 -0.05 0.00 -1.16 0.00 0.00 179.01 178.20 1i11 h ARG 18 N 0.23 0.33 -0.53 2.33 3.08 0.25 0.41 114.38 120.48 1i11 h ARG 18 Ca 0.06 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 1i11 h ARG 18 Cb 0.17 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1i11 h ARG 18 CO 0.00 0.62 -0.04 0.00 -1.07 0.00 0.00 179.97 179.48 1i11 h ARG 19 N 0.03 0.97 0.00 0.04 3.08 -0.89 2.34 114.38 119.95 1i11 h ARG 19 Ca 0.04 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 59.73 1i11 h ARG 19 Cb 0.50 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 1i11 h ARG 19 CO 0.02 1.00 -0.14 -0.22 -1.07 0.00 0.00 179.97 179.56 1i11 h LYS 20 N 0.84 0.00 0.00 0.04 3.64 0.38 -1.18 116.57 120.29 1i11 h LYS 20 Ca 0.15 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 59.12 1i11 h LYS 20 Cb 0.59 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.35 1i11 h LYS 20 CO 0.04 0.14 -2.21 -0.89 -2.27 0.00 0.00 179.45 174.25 1i11 n ILE 21 N -3.46 1.53 0.18 2.00 -0.00 0.14 -4.22 119.36 115.54 1i11 n ILE 21 Ca -0.01 -0.30 0.18 0.00 -0.00 0.00 0.00 62.75 62.63 1i11 n ILE 21 Cb 0.31 -1.92 0.81 0.00 -0.00 0.00 0.00 39.64 38.83 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 -0.99 0.00 -1.10 1.39 5.85 0.39 0.88 115.31 121.73 1i11 h LEU 22 Ca -0.61 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.09 1i11 h LEU 22 Cb 1.54 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.54 1i11 h LEU 22 CO -0.37 0.00 0.36 0.06 -0.34 0.00 0.00 178.44 178.15 1i11 h GLN 23 N 0.00 0.99 -0.00 1.25 3.07 -1.36 0.57 115.11 119.63 1i11 h GLN 23 Ca 0.12 -0.12 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1i11 h GLN 23 Cb 0.67 -0.19 0.00 0.00 0.08 0.00 0.00 27.48 28.04 1i11 h GLN 23 CO -0.00 0.75 -0.63 0.00 0.09 0.00 0.00 178.83 179.04 1i11 n ALA 24 N -2.43 3.89 -2.97 0.06 0.00 0.26 -4.58 120.51 114.74 1i11 n ALA 24 Ca 0.07 -0.48 -0.15 0.00 0.00 0.00 0.00 53.44 52.89 1i11 n ALA 24 Cb 0.12 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.20 -2.22 0.60 0.00 3.72 0.14 -4.95 117.46 113.56 1i11 n PHE 25 Ca 0.06 -2.44 0.07 0.00 -0.05 0.00 0.00 57.45 55.10 1i11 n PHE 25 Cb 0.35 0.81 0.33 0.00 -0.94 0.00 0.00 39.48 40.03 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 1.93 0.14 -0.04 -1.08 -0.04 0.06 -1.94 135.00 134.03 1i11 n PRO 26 Ca 0.17 0.19 -0.21 0.00 -0.04 0.00 0.00 63.50 63.61 1i11 n PRO 26 Cb 0.57 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.40 1i11 n PRO 26 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1i11 n ASP 27 N -1.34 2.07 -4.56 3.54 5.75 -1.26 -4.66 116.55 116.08 1i11 n ASP 27 Ca 0.06 0.12 -0.16 0.00 -0.01 0.00 0.00 54.79 54.80 1i11 n ASP 27 Cb 0.12 -0.74 -0.07 0.00 -1.03 0.00 0.00 41.12 39.41 1i11 n ASP 27 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 1i11 s MET 28 N -2.54 1.75 0.05 0.11 1.75 -0.82 -4.89 119.30 114.71 1i11 s MET 28 Ca -0.27 0.42 -0.01 0.00 -1.25 0.00 0.00 55.69 54.58 1i11 s MET 28 Cb 0.07 -4.81 0.01 0.00 2.84 0.00 0.00 34.83 32.94 1i11 s MET 28 CO 0.70 -4.26 0.06 -2.39 -0.65 0.00 0.00 175.02 168.49 1i11 n HIS 29 N 17.92 -3.88 0.01 4.11 1.44 -1.26 -4.30 115.22 129.27 1i11 n HIS 29 Ca 0.45 -0.05 -0.01 0.00 -2.01 0.00 0.00 57.72 56.10 1i11 n HIS 29 Cb 0.44 -0.05 -0.00 0.00 0.12 0.00 0.00 29.99 30.50 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 -0.21 -0.07 -1.54 4.39 2.35 -1.96 1.59 115.58 120.13 1i11 h ASN 30 Ca -0.02 0.01 0.45 0.00 -0.55 0.00 0.00 56.30 56.19 1i11 h ASN 30 Cb 0.06 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.39 1i11 h ASN 30 CO 0.01 -0.03 1.10 -0.24 -1.65 0.00 0.00 177.43 176.63 1i11 n SER 31 N -2.53 0.01 -0.13 5.81 2.88 -1.26 0.11 113.62 118.50 1i11 n SER 31 Ca -0.00 0.79 -0.27 0.00 -1.33 0.00 0.00 58.87 58.06 1i11 n SER 31 Cb 0.02 -0.40 -0.09 0.00 -0.75 0.00 0.00 64.21 62.99 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 -3.54 1.95 -0.22 -3.46 3.02 -0.70 -4.32 115.26 108.00 1i11 n ASN 32 Ca 0.35 0.35 0.18 0.00 -0.03 0.00 0.00 54.58 55.42 1i11 n ASN 32 Cb 1.57 -0.82 0.51 0.00 -0.61 0.00 0.00 39.78 40.43 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 -1.00 0.72 -0.81 2.41 1.08 0.51 0.29 117.51 120.69 1i11 h ILE 33 Ca -0.60 -0.14 0.19 0.00 -0.39 0.00 0.00 64.86 63.92 1i11 h ILE 33 Cb 1.52 0.27 -0.12 0.00 -3.07 0.00 0.00 36.82 35.42 1i11 h ILE 33 CO -0.36 0.07 0.26 0.28 -0.69 0.00 0.00 178.15 177.71 1i11 h SER 34 N 0.41 0.13 0.64 1.72 0.02 0.58 1.74 113.55 118.80 1i11 h SER 34 Ca 0.44 0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 61.49 1i11 h SER 34 Cb 1.07 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 1i11 h SER 34 CO -0.16 -0.03 -0.26 0.11 -1.14 0.00 0.00 176.83 175.36 1i11 h LYS 35 N 0.32 0.00 0.21 3.45 1.57 -1.15 -0.98 116.57 119.98 1i11 h LYS 35 Ca 0.48 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.25 1i11 h LYS 35 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1i11 h LYS 35 CO -0.53 0.26 -0.10 0.82 -0.57 0.00 0.00 179.45 179.32 1i11 h ILE 36 N 0.00 0.45 0.22 1.86 5.03 0.24 -1.66 117.51 123.65 1i11 h ILE 36 Ca -0.00 -0.99 -0.00 0.00 -0.12 0.00 0.00 64.86 63.74 1i11 h ILE 36 Cb 0.65 0.78 -0.03 0.00 -3.03 0.00 0.00 36.82 35.19 1i11 h ILE 36 CO 0.03 0.13 -0.38 -0.07 -0.68 0.00 0.00 178.15 177.18 1i11 h LEU 37 N -0.99 -1.09 -1.14 1.44 3.38 0.26 2.21 115.31 119.38 1i11 h LEU 37 Ca -0.03 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1i11 h LEU 37 Cb 0.42 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1i11 h LEU 37 CO 0.05 -0.44 0.08 0.61 0.09 0.00 0.00 178.44 178.82 1i11 n GLY 38 N -1.38 -0.76 0.01 0.83 0.00 -0.38 0.23 105.19 103.74 1i11 n GLY 38 Ca -0.07 0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.11 0.60 0.01 1.61 2.88 0.20 -3.15 113.62 113.65 1i11 n SER 39 Ca -0.01 -0.29 -0.12 0.00 -1.33 0.00 0.00 58.87 57.12 1i11 n SER 39 Cb 0.10 1.63 -0.14 0.00 -0.75 0.00 0.00 64.21 65.06 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 0.60 -1.46 2.47 1.14 -3.08 114.38 114.14 1i11 h ARG 40 Ca 0.00 -0.16 -0.03 0.00 -1.26 0.00 0.00 59.98 58.53 1i11 h ARG 40 Cb 0.77 0.06 0.01 0.00 -1.65 0.00 0.00 29.97 29.15 1i11 h ARG 40 CO 0.00 0.78 -0.29 2.35 0.56 0.00 0.00 179.97 183.38 1i11 h TRP 41 N 0.03 -0.75 -0.02 3.04 2.91 0.27 -2.22 115.95 119.21 1i11 h TRP 41 Ca -0.28 -0.02 0.01 0.00 1.13 0.00 0.00 58.89 59.73 1i11 h TRP 41 Cb 2.00 0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 30.89 1i11 h TRP 41 CO 0.03 -0.46 0.17 0.87 -1.03 0.00 0.00 178.44 178.01 1i11 h LYS 42 N -1.05 0.00 -0.81 2.65 1.57 -1.71 0.57 116.57 117.79 1i11 h LYS 42 Ca -0.08 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1i11 h LYS 42 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1i11 h LYS 42 CO 0.14 0.00 0.03 0.00 -0.57 0.00 0.00 179.45 179.05 1i11 n ALA 43 N -2.02 3.32 -1.59 3.86 0.00 -0.87 -4.82 120.51 118.40 1i11 n ALA 43 Ca -0.02 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.37 1i11 n ALA 43 Cb 0.23 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 0.26 0.00 -0.43 0.00 0.00 0.20 -4.95 117.12 112.19 1i11 n MET 44 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.86 1i11 n MET 44 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.00 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 -5.02 114.28 108.93 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 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 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 0.13 3.42 4.13 -1.26 -4.04 115.26 117.64 1i11 n ASN 46 Ca 0.00 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.32 1i11 n ASN 46 Cb 0.59 0.00 0.53 0.00 -1.54 0.00 0.00 39.78 39.36 1i11 n ASN 46 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1i11 h LEU 47 N 0.00 0.23 0.00 3.41 6.46 -2.03 0.26 115.31 123.63 1i11 h LEU 47 Ca 0.00 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1i11 h LEU 47 Cb 0.00 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 39.87 1i11 h LEU 47 CO 0.00 0.18 0.00 -0.62 -0.62 0.00 0.00 178.44 177.38 1i11 n GLU 48 N -4.50 0.26 0.16 1.25 4.71 -1.26 -2.25 120.64 119.01 1i11 n GLU 48 Ca -0.00 0.12 0.11 0.00 -0.01 0.00 0.00 57.16 57.37 1i11 n GLU 48 Cb 0.08 -1.50 0.08 0.00 -1.01 0.00 0.00 31.44 29.09 1i11 n GLU 48 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1i11 h LYS 49 N 0.00 0.00 -0.58 3.49 3.64 -0.81 -3.34 116.57 118.98 1i11 h LYS 49 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1i11 h LYS 49 Cb 0.15 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1i11 h LYS 49 CO 0.00 0.04 0.37 1.96 -2.27 0.00 0.00 179.45 179.55 1i11 h GLN 50 N 0.00 0.78 -0.04 1.90 4.20 -1.54 -1.55 115.11 118.86 1i11 h GLN 50 Ca -0.01 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.50 1i11 h GLN 50 Cb 1.05 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 28.67 1i11 h GLN 50 CO 0.01 0.53 -0.55 -1.00 -0.67 0.00 0.00 178.83 177.15 1i11 h PRO 51 N 0.79 0.44 0.00 1.46 0.13 -1.77 -2.92 132.00 130.13 1i11 h PRO 51 Ca 0.21 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1i11 h PRO 51 Cb -0.06 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1i11 h PRO 51 CO -0.04 1.07 0.00 0.66 -0.23 0.00 0.00 178.00 179.46 1i11 n TYR 52 N -4.24 0.00 -0.06 1.56 4.01 -1.21 -2.25 117.16 114.98 1i11 n TYR 52 Ca -0.09 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.48 1i11 n TYR 52 Cb 0.63 -0.39 -0.13 0.00 -0.31 0.00 0.00 39.34 39.15 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 0.09 -0.11 -0.72 0.05 -1.10 -3.18 116.97 112.01 1i11 h TYR 53 Ca 0.00 -0.07 -0.09 0.00 0.05 0.00 0.00 58.73 58.63 1i11 h TYR 53 Cb 0.22 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 1i11 h TYR 53 CO 0.00 1.18 -0.32 0.93 -1.05 0.00 0.00 178.16 178.90 1i11 h GLU 54 N -0.88 0.20 0.00 4.88 4.39 -1.35 -1.36 114.58 120.47 1i11 h GLU 54 Ca -0.11 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1i11 h GLU 54 Cb 1.20 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1i11 h GLU 54 CO -0.02 0.51 0.00 0.39 -1.16 0.00 0.00 179.01 178.72 1i11 n GLU 55 N -4.11 0.15 -0.07 2.33 1.02 -0.95 -2.07 120.64 116.93 1i11 n GLU 55 Ca -0.01 0.45 -0.11 0.00 -0.02 0.00 0.00 57.16 57.47 1i11 n GLU 55 Cb 0.40 -1.82 -0.07 0.00 -0.02 0.00 0.00 31.44 29.93 1i11 n GLU 55 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1i11 h GLN 56 N 0.00 0.00 -0.62 3.49 3.07 -1.22 -2.92 115.11 116.90 1i11 h GLN 56 Ca 0.00 0.00 0.15 0.00 0.09 0.00 0.00 58.65 58.89 1i11 h GLN 56 Cb 0.25 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.77 1i11 h GLN 56 CO 0.00 0.57 0.43 0.00 0.09 0.00 0.00 178.83 179.92 1i11 h ALA 57 N -0.56 2.31 0.03 0.06 0.00 -1.41 0.18 119.26 119.87 1i11 h ALA 57 Ca -0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1i11 h ALA 57 Cb 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1i11 h ALA 57 CO -0.06 -0.48 -0.01 0.07 0.00 0.00 0.00 179.25 178.76 1i11 h ARG 58 N 0.19 -0.04 0.00 0.00 -0.00 -1.52 -2.68 114.38 110.34 1i11 h ARG 58 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.28 1i11 h ARG 58 Cb 0.91 0.01 0.00 0.00 -0.00 0.00 0.00 29.97 30.89 1i11 h ARG 58 CO -0.05 0.50 0.00 1.47 -0.00 0.00 0.00 179.97 181.89 1i11 n LEU 59 N -4.84 0.27 0.09 0.08 -0.00 -0.61 -1.47 117.00 110.51 1i11 n LEU 59 Ca -0.09 0.58 -0.12 0.00 -0.00 0.00 0.00 56.01 56.39 1i11 n LEU 59 Cb 0.28 -0.56 -0.12 0.00 -0.00 0.00 0.00 43.42 43.02 1i11 n LEU 59 CO 0.33 -0.46 0.06 0.28 -0.00 0.00 0.00 177.39 177.60 1i11 h SER 60 N 0.00 0.25 -0.13 1.45 0.02 -0.38 0.22 113.55 114.98 1i11 h SER 60 Ca 0.00 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.66 1i11 h SER 60 Cb 0.22 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 1i11 h SER 60 CO 0.00 1.18 -0.03 0.50 -1.14 0.00 0.00 176.83 177.34 1i11 h LYS 61 N 0.05 0.25 -0.00 3.45 1.63 -0.94 -0.77 116.57 120.24 1i11 h LYS 61 Ca -0.08 -0.09 -0.20 0.00 -0.85 0.00 0.00 60.65 59.43 1i11 h LYS 61 Cb 1.84 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 33.45 1i11 h LYS 61 CO 0.17 0.54 -0.88 1.96 -3.45 0.00 0.00 179.45 177.79 1i11 h GLN 62 N -0.07 0.25 0.22 1.90 4.20 -1.61 -2.95 115.11 117.05 1i11 h GLN 62 Ca 0.03 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 1i11 h GLN 62 Cb 0.45 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1i11 h GLN 62 CO 0.01 0.98 -0.11 1.25 -0.67 0.00 0.00 178.83 180.30 1i11 h HIS 63 N 0.14 -0.28 -1.05 2.96 2.76 -0.89 -3.06 115.15 115.74 1i11 h HIS 63 Ca -0.05 -0.01 0.31 0.00 -2.20 0.00 0.00 60.37 58.42 1i11 h HIS 63 Cb 1.50 0.09 -0.13 0.00 1.55 0.00 0.00 27.41 30.42 1i11 h HIS 63 CO 0.04 -0.17 0.63 -0.07 -1.30 0.00 0.00 177.93 177.05 1i11 h LEU 64 N -0.38 0.51 -2.35 0.26 3.38 -1.27 2.24 115.31 117.69 1i11 h LEU 64 Ca -0.03 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1i11 h LEU 64 Cb 0.23 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1i11 h LEU 64 CO 0.05 -0.04 0.22 -0.33 0.09 0.00 0.00 178.44 178.42 1i11 h GLU 65 N 0.37 0.00 0.01 1.13 5.08 -1.42 0.18 114.58 119.93 1i11 h GLU 65 Ca 0.70 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 59.06 1i11 h GLU 65 Cb 1.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.89 1i11 h GLU 65 CO -0.50 0.00 -0.00 0.87 -1.00 0.00 0.00 179.01 178.38 1i11 h LYS 66 N 0.00 -0.01 -2.17 2.33 1.57 0.38 -3.40 116.57 115.26 1i11 h LYS 66 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 1i11 h LYS 66 Cb 0.43 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.35 1i11 h LYS 66 CO -0.00 0.77 -0.97 0.66 -0.57 0.00 0.00 179.45 179.34 1i11 n TYR 67 N -4.71 0.33 0.00 -1.35 4.02 -0.27 -4.98 117.16 110.21 1i11 n TYR 67 Ca -0.09 -3.64 0.00 0.00 -0.01 0.00 0.00 57.90 54.16 1i11 n TYR 67 Cb 0.38 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.44 1i11 n TYR 67 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1i11 n PRO 68 N 1.67 0.00 -1.02 -0.72 -0.04 0.48 -4.18 135.00 131.20 1i11 n PRO 68 Ca 0.24 0.33 -0.18 0.00 -0.04 0.00 0.00 63.50 63.85 1i11 n PRO 68 Cb 0.49 -0.85 -0.12 0.00 -0.04 0.00 0.00 33.50 32.98 1i11 n PRO 68 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1i11 n ASP 69 N -1.49 5.81 0.00 3.54 2.03 -1.26 -5.09 116.55 120.09 1i11 n ASP 69 Ca 0.00 -2.45 0.01 0.00 0.52 0.00 0.00 54.79 52.87 1i11 n ASP 69 Cb 0.00 -1.38 0.08 0.00 -0.72 0.00 0.00 41.12 39.10 1i11 n ASP 69 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28