#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 -0.34 -4.02 6.00 1.44 -1.26 -5.11 115.22 111.94 1i11 n HIS 2 Ca 0.00 -0.69 -0.31 0.00 -2.01 0.00 0.00 57.72 54.70 1i11 n HIS 2 Cb 0.00 1.17 -0.15 0.00 0.12 0.00 0.00 29.99 31.13 1i11 n HIS 2 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1i11 s ILE 3 N 0.03 2.31 -0.97 0.61 -4.36 -1.26 -5.02 121.20 112.55 1i11 s ILE 3 Ca 0.12 -2.25 -0.24 0.00 -0.26 0.00 0.00 60.65 58.02 1i11 s ILE 3 Cb 0.18 -2.67 -0.06 0.00 1.25 0.00 0.00 42.46 41.17 1i11 s ILE 3 CO -0.12 -0.54 1.94 -0.75 0.24 0.00 0.00 174.94 175.72 1i11 s LYS 4 N 0.93 2.54 -0.17 0.37 2.47 -1.26 -4.91 119.74 119.72 1i11 s LYS 4 Ca 0.09 -0.49 -0.29 0.00 -1.56 0.00 0.00 55.97 53.71 1i11 s LYS 4 Cb -0.19 -5.10 -0.04 0.00 -1.46 0.00 0.00 37.83 31.03 1i11 s LYS 4 CO -0.07 -3.52 1.84 0.50 0.16 0.00 0.00 175.35 174.26 1i11 s ARG 5 N 6.88 3.68 -1.20 4.03 3.52 -1.26 -4.88 118.95 129.73 1i11 s ARG 5 Ca 0.70 1.94 -0.20 0.00 -0.13 0.00 0.00 55.73 58.03 1i11 s ARG 5 Cb -0.05 -4.15 0.04 0.00 -1.56 0.00 0.00 34.95 29.22 1i11 s ARG 5 CO 0.03 -1.45 1.71 -1.25 -0.81 0.00 0.00 175.30 173.53 1i11 s PRO 6 N 5.08 3.60 -0.02 5.12 0.04 -1.26 -4.58 135.00 142.98 1i11 s PRO 6 Ca 0.82 -1.59 0.16 0.00 0.04 0.00 0.00 61.00 60.44 1i11 s PRO 6 Cb -0.30 -5.43 -0.24 0.00 0.04 0.00 0.00 34.50 28.57 1i11 s PRO 6 CO 0.33 -2.57 0.40 -1.33 0.04 0.00 0.00 177.00 173.88 1i11 n MET 7 N 8.52 0.69 -5.22 4.56 2.81 -1.26 -4.60 117.12 122.62 1i11 n MET 7 Ca 0.44 -0.13 -0.32 0.00 -1.81 0.00 0.00 57.70 55.89 1i11 n MET 7 Cb 0.47 -1.36 -0.16 0.00 -0.71 0.00 0.00 33.22 31.46 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 -3.65 3.18 0.37 7.83 2.20 -1.26 -4.98 114.94 118.62 1i11 s ASN 8 Ca -0.04 -0.49 0.27 0.00 -0.94 0.00 0.00 52.86 51.66 1i11 s ASN 8 Cb 0.11 -0.92 1.24 0.00 -2.00 0.00 0.00 41.25 39.67 1i11 s ASN 8 CO 0.67 0.24 1.81 0.00 -2.94 0.00 0.00 177.10 176.88 1i11 h ALA 9 N 6.10 1.00 0.39 3.54 0.00 -1.88 -2.76 119.26 125.65 1i11 h ALA 9 Ca -0.31 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1i11 h ALA 9 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1i11 h ALA 9 CO 0.48 0.00 -0.19 0.35 0.00 0.00 0.00 179.25 179.89 1i11 h PHE 10 N 0.00 -0.49 0.00 0.00 3.57 -1.93 2.05 116.94 120.14 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 0.27 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1i11 h PHE 10 CO 0.00 -0.20 0.00 0.52 -2.23 0.00 0.00 178.31 176.40 1i11 h MET 11 N -1.04 0.00 0.05 1.11 2.86 -1.93 2.58 114.93 118.56 1i11 h MET 11 Ca -0.05 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.44 1i11 h MET 11 Cb 0.51 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1i11 h MET 11 CO 0.09 0.00 -0.76 0.28 1.06 0.00 0.00 176.91 177.58 1i11 h VAL 12 N 0.00 1.36 0.12 -2.22 2.07 -1.15 -2.22 116.25 114.21 1i11 h VAL 12 Ca 0.00 -2.35 -0.27 0.00 0.82 0.00 0.00 66.70 64.90 1i11 h VAL 12 Cb 0.14 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1i11 h VAL 12 CO 0.00 0.58 -1.22 -0.25 0.02 0.00 0.00 177.57 176.70 1i11 h TRP 13 N -0.73 0.49 0.00 1.57 7.01 0.44 -3.25 115.95 121.47 1i11 h TRP 13 Ca -0.18 -0.35 -0.08 0.00 2.11 0.00 0.00 58.89 60.39 1i11 h TRP 13 Cb 1.36 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 28.38 1i11 h TRP 13 CO 0.19 1.27 -0.40 0.00 -2.79 0.00 0.00 178.44 176.70 1i11 h ALA 14 N 0.60 0.92 0.00 2.65 0.00 0.43 0.59 119.26 124.45 1i11 h ALA 14 Ca -0.13 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1i11 h ALA 14 Cb 1.95 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1i11 h ALA 14 CO 0.20 0.50 -0.23 1.57 0.00 0.00 0.00 179.25 181.30 1i11 h LYS 15 N 0.00 0.00 0.01 0.00 2.10 -1.43 1.52 116.57 118.77 1i11 h LYS 15 Ca -0.00 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.30 1i11 h LYS 15 Cb 1.00 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.27 1i11 h LYS 15 CO 0.05 0.23 -2.13 -3.47 -2.00 0.00 0.00 179.45 172.13 1i11 n ASP 16 N -3.79 0.67 -0.01 7.07 2.03 -1.11 -2.66 116.55 118.74 1i11 n ASP 16 Ca -0.02 0.15 -0.07 0.00 0.52 0.00 0.00 54.79 55.38 1i11 n ASP 16 Cb 0.33 0.34 0.12 0.00 -0.72 0.00 0.00 41.12 41.19 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 0.56 0.03 -0.67 5.08 -0.35 1.72 114.58 120.96 1i11 h GLU 17 Ca -0.45 -0.27 -0.24 0.00 -1.00 0.00 0.00 59.36 57.40 1i11 h GLU 17 Cb 2.12 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 31.36 1i11 h GLU 17 CO 0.04 0.84 -1.02 0.07 -1.00 0.00 0.00 179.01 177.94 1i11 h ARG 18 N 0.47 0.40 -0.44 2.33 -0.00 0.20 0.22 114.38 117.57 1i11 h ARG 18 Ca 0.05 -0.48 -0.12 0.00 -0.00 0.00 0.00 59.98 59.43 1i11 h ARG 18 Cb 0.85 0.15 -0.01 0.00 -0.00 0.00 0.00 29.97 30.95 1i11 h ARG 18 CO 0.07 1.15 -0.22 0.07 -0.00 0.00 0.00 179.97 181.04 1i11 h ARG 19 N 0.21 0.89 0.00 0.08 -0.00 -1.24 1.91 114.38 116.23 1i11 h ARG 19 Ca -0.10 -0.37 0.00 0.00 -0.00 0.00 0.00 59.98 59.51 1i11 h ARG 19 Cb 1.68 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 31.61 1i11 h ARG 19 CO 0.18 1.02 0.00 0.87 -0.00 0.00 0.00 179.97 182.03 1i11 h LYS 20 N 0.77 0.00 0.01 0.08 1.57 0.28 -2.86 116.57 116.42 1i11 h LYS 20 Ca 0.10 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.49 1i11 h LYS 20 Cb 0.76 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.02 1i11 h LYS 20 CO 0.06 0.00 -2.18 -0.89 -0.57 0.00 0.00 179.45 175.87 1i11 n ILE 21 N -3.01 1.54 -0.19 1.86 5.41 0.76 -4.17 119.36 121.58 1i11 n ILE 21 Ca 0.02 -0.34 0.30 0.00 1.00 0.00 0.00 62.75 63.73 1i11 n ILE 21 Cb 0.36 -1.85 0.72 0.00 -0.71 0.00 0.00 39.64 38.16 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 -0.80 0.00 -0.97 1.39 5.85 0.29 2.56 115.31 123.63 1i11 h LEU 22 Ca -0.58 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.09 1i11 h LEU 22 Cb 1.60 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.60 1i11 h LEU 22 CO -0.30 0.00 0.18 0.06 -0.34 0.00 0.00 178.44 178.05 1i11 h GLN 23 N 0.00 0.93 -0.00 1.25 3.07 -1.66 0.19 115.11 118.89 1i11 h GLN 23 Ca 0.44 -0.18 0.00 0.00 0.09 0.00 0.00 58.65 59.00 1i11 h GLN 23 Cb 1.90 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 29.32 1i11 h GLN 23 CO -0.00 0.81 -0.64 0.00 0.09 0.00 0.00 178.83 179.08 1i11 n ALA 24 N -2.45 3.89 -3.11 0.06 0.00 0.74 -4.46 120.51 115.18 1i11 n ALA 24 Ca 0.05 -0.42 -0.21 0.00 0.00 0.00 0.00 53.44 52.86 1i11 n ALA 24 Cb 0.21 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.48 -1.03 0.72 0.00 3.72 0.50 -4.94 117.46 114.95 1i11 n PHE 25 Ca 0.05 -3.16 0.07 0.00 -0.05 0.00 0.00 57.45 54.35 1i11 n PHE 25 Cb 0.33 0.08 0.36 0.00 -0.94 0.00 0.00 39.48 39.32 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 1.56 0.29 -0.10 -1.08 -0.04 0.55 -1.92 135.00 134.27 1i11 n PRO 26 Ca 0.19 0.09 -0.12 0.00 -0.04 0.00 0.00 63.50 63.62 1i11 n PRO 26 Cb 0.55 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.15 1.39 -4.56 3.54 8.00 -1.26 -4.76 116.55 117.75 1i11 n ASP 27 Ca 0.08 -0.06 -0.22 0.00 0.71 0.00 0.00 54.79 55.30 1i11 n ASP 27 Cb 0.08 0.33 -0.06 0.00 -0.02 0.00 0.00 41.12 41.45 1i11 n ASP 27 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1i11 s MET 28 N -2.44 2.05 0.00 -1.24 1.75 -0.81 -4.91 119.30 113.70 1i11 s MET 28 Ca -0.19 0.35 0.00 0.00 -1.25 0.00 0.00 55.69 54.60 1i11 s MET 28 Cb 0.06 -4.82 0.00 0.00 2.84 0.00 0.00 34.83 32.91 1i11 s MET 28 CO 0.63 -3.84 0.00 -2.39 -0.65 0.00 0.00 175.02 168.77 1i11 n HIS 29 N 16.37 -1.12 0.36 4.11 1.44 -1.26 -4.30 115.22 130.82 1i11 n HIS 29 Ca 0.41 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.98 1i11 n HIS 29 Cb 0.46 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.51 1i11 n HIS 29 CO 0.00 0.00 0.00 -0.97 -2.81 0.00 0.00 176.34 172.56 1i11 h ASN 30 N -0.06 -0.78 -0.66 4.39 -1.24 -1.97 0.59 115.58 115.86 1i11 h ASN 30 Ca 0.00 0.03 0.19 0.00 0.71 0.00 0.00 56.30 57.23 1i11 h ASN 30 Cb 0.00 0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.23 1i11 h ASN 30 CO 0.00 -0.53 1.01 0.77 -1.29 0.00 0.00 177.43 177.39 1i11 h SER 31 N -0.99 0.00 0.00 1.15 4.64 -1.99 0.13 113.55 116.49 1i11 h SER 31 Ca -0.09 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.99 1i11 h SER 31 Cb 0.71 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.76 1i11 h SER 31 CO 0.15 0.00 -1.71 0.59 -0.87 0.00 0.00 176.83 175.00 1i11 n ASN 32 N -3.13 1.62 -0.18 4.97 4.13 -1.02 -4.39 115.26 117.26 1i11 n ASN 32 Ca 0.14 0.27 0.21 0.00 1.68 0.00 0.00 54.58 56.89 1i11 n ASN 32 Cb 1.22 -0.65 0.58 0.00 -1.54 0.00 0.00 39.78 39.40 1i11 n ASN 32 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1i11 h ILE 33 N -0.78 0.68 -0.40 2.41 1.08 0.83 0.15 117.51 121.48 1i11 h ILE 33 Ca -0.36 -0.09 0.06 0.00 -0.39 0.00 0.00 64.86 64.08 1i11 h ILE 33 Cb 1.24 0.40 -0.05 0.00 -3.07 0.00 0.00 36.82 35.33 1i11 h ILE 33 CO -0.22 0.05 0.09 0.28 -0.69 0.00 0.00 178.15 177.66 1i11 h SER 34 N 0.26 0.02 0.38 1.72 0.02 -0.96 1.04 113.55 116.03 1i11 h SER 34 Ca 0.41 0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 61.35 1i11 h SER 34 Cb 1.21 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 1i11 h SER 34 CO -0.10 0.05 -0.35 0.11 -1.14 0.00 0.00 176.83 175.39 1i11 h LYS 35 N 0.22 0.00 0.51 3.45 1.57 -1.19 -0.52 116.57 120.61 1i11 h LYS 35 Ca 0.19 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1i11 h LYS 35 Cb 0.23 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.54 1i11 h LYS 35 CO -0.25 0.35 -0.25 0.82 -0.57 0.00 0.00 179.45 179.56 1i11 h ILE 36 N 0.00 0.26 -0.12 1.86 5.03 -0.04 -1.83 117.51 122.67 1i11 h ILE 36 Ca -0.00 -0.47 0.04 0.00 -0.12 0.00 0.00 64.86 64.30 1i11 h ILE 36 Cb 0.64 0.38 -0.06 0.00 -3.03 0.00 0.00 36.82 34.74 1i11 h ILE 36 CO 0.05 0.05 -0.47 -0.07 -0.68 0.00 0.00 178.15 177.02 1i11 h LEU 37 N -1.06 -1.48 -1.12 1.44 3.38 0.12 1.04 115.31 117.62 1i11 h LEU 37 Ca -0.07 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1i11 h LEU 37 Cb 0.60 0.59 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1i11 h LEU 37 CO 0.12 -0.46 0.16 0.61 0.09 0.00 0.00 178.44 178.96 1i11 n GLY 38 N -1.44 -0.72 0.01 0.83 0.00 -0.22 0.19 105.19 103.83 1i11 n GLY 38 Ca -0.05 0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.23 1i11 n GLY 38 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1i11 n SER 39 N -2.13 0.38 -0.01 1.61 7.64 0.26 -3.16 113.62 118.21 1i11 n SER 39 Ca -0.01 -0.27 -0.09 0.00 1.01 0.00 0.00 58.87 59.51 1i11 n SER 39 Cb 0.19 1.70 -0.14 0.00 -1.01 0.00 0.00 64.21 64.95 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 0.02 0.56 1.43 3.08 0.93 -2.96 114.38 117.43 1i11 h ARG 40 Ca 0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1i11 h ARG 40 Cb 0.83 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.90 1i11 h ARG 40 CO 0.00 0.61 -0.27 2.35 -1.07 0.00 0.00 179.97 181.59 1i11 h TRP 41 N 0.00 -0.70 -0.01 3.04 2.91 0.20 -2.30 115.95 119.10 1i11 h TRP 41 Ca -0.25 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.76 1i11 h TRP 41 Cb 1.98 0.23 -0.00 0.00 -0.51 0.00 0.00 29.16 30.86 1i11 h TRP 41 CO 0.00 -0.39 0.02 0.87 -1.03 0.00 0.00 178.44 177.92 1i11 h LYS 42 N -1.12 0.00 0.00 2.65 1.57 -1.70 0.84 116.57 118.81 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 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1i11 h LYS 42 CO 0.13 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.01 1i11 n ALA 43 N -2.20 2.48 -1.10 3.86 0.00 -0.95 -4.76 120.51 117.84 1i11 n ALA 43 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1i11 n ALA 43 Cb 0.09 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 -1.10 2.52 0.00 0.00 2.81 0.29 -5.02 117.12 116.63 1i11 n MET 44 Ca 0.18 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 1i11 n MET 44 Cb 0.14 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.65 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 0.16 0.00 2.03 -2.24 -1.26 -5.02 114.28 107.95 1i11 n THR 45 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1i11 n THR 45 Cb 0.00 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.08 0.00 0.12 3.42 5.15 -1.26 -4.43 115.26 118.18 1i11 n ASN 46 Ca 0.00 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 54.02 1i11 n ASN 46 Cb 0.33 0.00 0.44 0.00 -0.53 0.00 0.00 39.78 40.02 1i11 n ASN 46 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1i11 h LEU 47 N 0.00 0.23 0.00 1.20 6.46 -2.01 -0.21 115.31 120.98 1i11 h LEU 47 Ca 0.00 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 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 0.31 -0.10 -0.33 -0.62 0.00 0.00 178.44 177.70 1i11 h GLU 48 N 0.25 0.00 -0.00 1.25 5.08 -1.97 -3.09 114.58 116.10 1i11 h GLU 48 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1i11 h GLU 48 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1i11 h GLU 48 CO 0.01 0.00 -0.25 1.17 -1.00 0.00 0.00 179.01 178.94 1i11 n LYS 49 N -2.73 0.30 -0.30 2.33 4.81 -0.14 -4.07 118.16 118.36 1i11 n LYS 49 Ca 0.04 -0.13 -0.04 0.00 -0.87 0.00 0.00 58.31 57.31 1i11 n LYS 49 Cb 0.49 -1.50 0.07 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 1.17 0.00 0.00 177.40 180.53 1i11 h GLN 50 N 0.31 1.09 0.00 1.64 4.20 -1.32 -2.84 115.11 118.19 1i11 h GLN 50 Ca 0.00 -0.09 -0.13 0.00 0.06 0.00 0.00 58.65 58.49 1i11 h GLN 50 Cb 0.46 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1i11 h GLN 50 CO 0.00 0.76 -0.60 -1.00 -0.67 0.00 0.00 178.83 177.32 1i11 h PRO 51 N 1.11 0.00 0.00 1.46 0.13 -1.80 -2.52 132.00 130.38 1i11 h PRO 51 Ca 0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.42 1i11 h PRO 51 Cb -0.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.07 1i11 h PRO 51 CO -0.06 0.60 0.00 0.66 -0.23 0.00 0.00 178.00 178.97 1i11 n TYR 52 N -3.55 0.00 -0.02 1.56 4.01 -1.08 -1.05 117.16 117.03 1i11 n TYR 52 Ca -0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1i11 n TYR 52 Cb 0.66 -0.31 -0.00 0.00 -0.31 0.00 0.00 39.34 39.38 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 -0.16 -0.72 0.05 -1.36 -3.09 116.97 111.69 1i11 h TYR 53 Ca 0.00 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.83 1i11 h TYR 53 Cb 0.21 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 1i11 h TYR 53 CO 0.00 0.00 0.13 1.05 -1.05 0.00 0.00 178.16 178.29 1i11 h GLU 54 N -0.32 0.00 0.00 4.88 -0.00 -1.59 0.84 114.58 118.39 1i11 h GLU 54 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1i11 h GLU 54 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.79 1i11 h GLU 54 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 179.01 179.94 1i11 h GLU 55 N 0.00 0.00 0.00 1.06 5.08 -1.20 -2.27 114.58 117.25 1i11 h GLU 55 Ca 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1i11 h GLU 55 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1i11 h GLU 55 CO -0.00 0.00 -0.00 -0.56 -1.00 0.00 0.00 179.01 177.45 1i11 h GLN 56 N 0.00 -0.01 -0.97 2.33 3.07 0.82 -2.29 115.11 118.06 1i11 h GLN 56 Ca 0.00 0.00 0.18 0.00 0.09 0.00 0.00 58.65 58.92 1i11 h GLN 56 Cb 0.23 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 27.70 1i11 h GLN 56 CO 0.00 0.75 0.61 0.00 0.09 0.00 0.00 178.83 180.28 1i11 h ALA 57 N 0.20 1.83 0.43 0.06 0.00 -1.38 0.59 119.26 121.00 1i11 h ALA 57 Ca -0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1i11 h ALA 57 Cb 0.76 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1i11 h ALA 57 CO 0.00 -0.15 -0.21 0.00 0.00 0.00 0.00 179.25 178.89 1i11 h ARG 58 N 0.68 -0.56 0.00 0.00 2.47 -1.49 -2.72 114.38 112.75 1i11 h ARG 58 Ca 0.53 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.29 1i11 h ARG 58 Cb 0.92 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 1i11 h ARG 58 CO -0.29 -0.28 0.00 1.47 0.56 0.00 0.00 179.97 181.42 1i11 n LEU 59 N -5.18 0.06 0.09 3.04 -0.00 -0.82 -0.71 117.00 113.48 1i11 n LEU 59 Ca -0.09 0.53 -0.14 0.00 -0.00 0.00 0.00 56.01 56.31 1i11 n LEU 59 Cb 0.28 -0.53 -0.08 0.00 -0.00 0.00 0.00 43.42 43.09 1i11 n LEU 59 CO 0.24 -0.50 0.10 0.77 -0.00 0.00 0.00 177.39 178.00 1i11 h SER 60 N 0.00 0.45 0.08 1.45 4.64 0.48 -2.39 113.55 118.26 1i11 h SER 60 Ca 0.00 -0.41 -0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1i11 h SER 60 Cb 0.05 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1i11 h SER 60 CO 0.00 1.25 -0.04 0.50 -0.87 0.00 0.00 176.83 177.67 1i11 h LYS 61 N 0.15 -0.11 0.00 4.77 1.63 -0.73 -2.09 116.57 120.19 1i11 h LYS 61 Ca -0.10 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1i11 h LYS 61 Cb 1.73 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 33.39 1i11 h LYS 61 CO 0.18 0.13 -0.01 -0.56 -3.45 0.00 0.00 179.45 175.73 1i11 h GLN 62 N -0.34 0.00 0.36 1.90 -0.00 -1.57 -2.81 115.11 112.65 1i11 h GLN 62 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.63 1i11 h GLN 62 Cb 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.76 1i11 h GLN 62 CO 0.02 0.01 -0.33 1.25 -0.00 0.00 0.00 178.83 179.79 1i11 h HIS 63 N 0.00 -0.89 -0.96 0.06 2.76 -0.83 -1.78 115.15 113.51 1i11 h HIS 63 Ca -0.00 0.00 0.26 0.00 -2.20 0.00 0.00 60.37 58.43 1i11 h HIS 63 Cb 0.03 0.34 -0.13 0.00 1.55 0.00 0.00 27.41 29.20 1i11 h HIS 63 CO 0.00 -0.44 0.49 -0.07 -1.30 0.00 0.00 177.93 176.60 1i11 h LEU 64 N -0.68 0.46 -2.33 0.26 3.38 -1.42 2.10 115.31 117.08 1i11 h LEU 64 Ca -0.05 0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1i11 h LEU 64 Cb 0.58 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1i11 h LEU 64 CO -0.02 -0.02 0.22 -0.33 0.09 0.00 0.00 178.44 178.39 1i11 h GLU 65 N 0.42 0.00 0.14 1.13 4.39 -1.27 0.40 114.58 119.79 1i11 h GLU 65 Ca 0.63 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.32 1i11 h GLU 65 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1i11 h GLU 65 CO -0.54 0.00 -0.07 0.87 -1.16 0.00 0.00 179.01 178.11 1i11 h LYS 66 N 0.00 -0.18 -2.09 2.33 1.57 0.39 -3.40 116.57 115.18 1i11 h LYS 66 Ca 0.02 0.01 -0.54 0.00 -1.87 0.00 0.00 60.65 58.26 1i11 h LYS 66 Cb 0.46 0.04 -0.40 0.00 0.08 0.00 0.00 32.23 32.41 1i11 h LYS 66 CO -0.00 0.11 -0.96 0.66 -0.57 0.00 0.00 179.45 178.68 1i11 n TYR 67 N -4.88 1.38 -0.01 -1.35 4.01 -0.79 -4.93 117.16 110.58 1i11 n TYR 67 Ca -0.05 -3.84 -0.00 0.00 -0.16 0.00 0.00 57.90 53.85 1i11 n TYR 67 Cb 0.19 -0.44 -0.00 0.00 -0.31 0.00 0.00 39.34 38.78 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 3.46 -0.00 -2.58 -0.72 0.13 -0.47 -3.37 132.00 128.45 1i11 h PRO 68 Ca 0.11 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.60 1i11 h PRO 68 Cb 0.80 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.84 1i11 h PRO 68 CO 0.61 -0.00 2.28 -0.25 -0.23 0.00 0.00 178.00 180.40 1i11 n ASP 69 N -2.76 7.79 0.00 1.44 8.00 -1.26 -5.09 116.55 124.67 1i11 n ASP 69 Ca -0.00 -2.95 0.00 0.00 0.71 0.00 0.00 54.79 52.56 1i11 n ASP 69 Cb 0.00 -1.40 0.03 0.00 -0.02 0.00 0.00 41.12 39.73 1i11 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81