#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 1.86 -2.69 6.00 1.44 -1.26 -4.76 115.22 115.81 1i11 n HIS 2 Ca 0.00 -2.00 -0.08 0.00 -2.01 0.00 0.00 57.72 53.63 1i11 n HIS 2 Cb 0.00 -0.29 0.08 0.00 0.12 0.00 0.00 29.99 29.89 1i11 n HIS 2 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 1i11 n ILE 3 N -0.67 0.47 -1.23 0.61 -5.35 -1.26 -4.72 119.36 107.21 1i11 n ILE 3 Ca 0.30 -2.27 -0.36 0.00 -0.27 0.00 0.00 62.75 60.14 1i11 n ILE 3 Cb 0.90 0.83 -0.02 0.00 -1.74 0.00 0.00 39.64 39.61 1i11 n ILE 3 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1i11 n LYS 4 N -0.32 2.58 -1.88 6.28 5.02 -1.26 -4.91 118.16 123.66 1i11 n LYS 4 Ca 0.03 -2.02 -0.42 0.00 -2.02 0.00 0.00 58.31 53.88 1i11 n LYS 4 Cb 0.83 -2.86 -0.03 0.00 -0.02 0.00 0.00 35.03 32.96 1i11 n LYS 4 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1i11 s ARG 5 N 3.38 4.18 -0.36 1.97 6.06 -1.26 -4.83 118.95 128.08 1i11 s ARG 5 Ca 0.53 2.38 -0.06 0.00 -2.50 0.00 0.00 55.73 56.09 1i11 s ARG 5 Cb 0.14 -3.73 -0.19 0.00 0.06 0.00 0.00 34.95 31.23 1i11 s ARG 5 CO -0.02 -0.79 3.02 -0.35 -2.50 0.00 0.00 175.30 174.66 1i11 n PRO 6 N 6.09 2.07 -3.96 5.12 -0.04 -1.26 -4.86 135.00 138.15 1i11 n PRO 6 Ca 0.17 -1.13 -0.21 0.00 -0.04 0.00 0.00 63.50 62.28 1i11 n PRO 6 Cb 0.41 -2.12 -0.04 0.00 -0.04 0.00 0.00 33.50 31.71 1i11 n PRO 6 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1i11 s MET 7 N 1.65 2.85 0.00 0.54 -1.94 -1.26 -4.83 119.30 116.30 1i11 s MET 7 Ca 0.57 -1.15 0.00 0.00 -1.71 0.00 0.00 55.69 53.40 1i11 s MET 7 Cb 0.24 -2.54 0.00 0.00 2.01 0.00 0.00 34.83 34.54 1i11 s MET 7 CO -0.01 0.26 0.00 -1.71 -0.01 0.00 0.00 175.02 173.55 1i11 n ASN 8 N -1.28 0.00 -0.13 3.03 2.85 -1.26 -4.87 115.26 113.60 1i11 n ASN 8 Ca -0.05 0.00 0.17 0.00 -0.11 0.00 0.00 54.58 54.59 1i11 n ASN 8 Cb 0.59 0.00 0.56 0.00 1.24 0.00 0.00 39.78 42.17 1i11 n ASN 8 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1i11 h ALA 9 N 0.00 2.24 0.28 5.20 0.00 -1.85 2.58 119.26 127.71 1i11 h ALA 9 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1i11 h ALA 9 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1i11 h ALA 9 CO 0.00 -0.44 -0.14 0.35 0.00 0.00 0.00 179.25 179.03 1i11 h PHE 10 N 0.30 -0.35 0.00 0.00 3.57 -1.93 1.40 116.94 119.92 1i11 h PHE 10 Ca 0.35 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.84 1i11 h PHE 10 Cb 0.93 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1i11 h PHE 10 CO -0.00 -0.22 0.00 0.52 -2.23 0.00 0.00 178.31 176.38 1i11 h MET 11 N -0.77 0.00 0.10 1.11 2.86 -1.74 2.37 114.93 118.85 1i11 h MET 11 Ca -0.04 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.41 1i11 h MET 11 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1i11 h MET 11 CO 0.06 0.00 -0.91 0.28 1.06 0.00 0.00 176.91 177.40 1i11 h VAL 12 N 0.00 1.35 0.06 -2.22 2.07 0.47 -2.65 116.25 115.32 1i11 h VAL 12 Ca 0.00 -2.43 -0.24 0.00 0.82 0.00 0.00 66.70 64.85 1i11 h VAL 12 Cb 0.03 2.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 1i11 h VAL 12 CO 0.00 0.66 -1.15 -0.25 0.02 0.00 0.00 177.57 176.85 1i11 h TRP 13 N -0.51 0.23 0.00 1.57 7.01 0.36 -3.25 115.95 121.37 1i11 h TRP 13 Ca -0.19 -0.17 -0.06 0.00 2.11 0.00 0.00 58.89 60.58 1i11 h TRP 13 Cb 1.54 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 28.58 1i11 h TRP 13 CO 0.18 1.14 -0.27 0.00 -2.79 0.00 0.00 178.44 176.70 1i11 h ALA 14 N 0.79 0.99 0.00 2.65 0.00 0.38 0.13 119.26 124.21 1i11 h ALA 14 Ca -0.08 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 1i11 h ALA 14 Cb 1.88 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1i11 h ALA 14 CO 0.16 0.34 -0.30 0.87 0.00 0.00 0.00 179.25 180.33 1i11 h LYS 15 N 0.00 0.00 0.02 0.00 1.79 -1.50 1.87 116.57 118.75 1i11 h LYS 15 Ca -0.00 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.14 1i11 h LYS 15 Cb 0.83 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.43 1i11 h LYS 15 CO 0.04 0.30 -1.97 -3.47 -1.08 0.00 0.00 179.45 173.26 1i11 n ASP 16 N -4.10 0.99 -0.02 0.86 -0.08 -1.05 -2.41 116.55 110.74 1i11 n ASP 16 Ca -0.02 0.24 -0.08 0.00 -1.51 0.00 0.00 54.79 53.42 1i11 n ASP 16 Cb 0.35 0.01 0.08 0.00 2.34 0.00 0.00 41.12 43.90 1i11 n ASP 16 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1i11 h GLU 17 N 0.01 0.61 -0.05 -0.67 4.39 -0.25 1.75 114.58 120.38 1i11 h GLU 17 Ca -0.39 -0.32 -0.20 0.00 0.34 0.00 0.00 59.36 58.79 1i11 h GLU 17 Cb 2.06 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 30.72 1i11 h GLU 17 CO 0.06 0.92 -0.80 0.07 -1.16 0.00 0.00 179.01 178.10 1i11 h ARG 18 N 0.50 0.37 -0.43 2.33 -0.00 0.28 0.80 114.38 118.24 1i11 h ARG 18 Ca 0.04 -0.34 -0.08 0.00 -0.00 0.00 0.00 59.98 59.60 1i11 h ARG 18 Cb 0.93 0.08 -0.01 0.00 -0.00 0.00 0.00 29.97 30.97 1i11 h ARG 18 CO 0.08 1.00 -0.05 0.00 -0.00 0.00 0.00 179.97 181.00 1i11 h ARG 19 N 0.24 0.79 0.00 0.08 3.08 -1.09 2.08 114.38 119.56 1i11 h ARG 19 Ca -0.04 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1i11 h ARG 19 Cb 1.39 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.39 1i11 h ARG 19 CO 0.14 0.89 0.00 -0.22 -1.07 0.00 0.00 179.97 179.70 1i11 h LYS 20 N 0.62 0.00 0.02 0.04 3.64 0.30 -2.96 116.57 118.24 1i11 h LYS 20 Ca 0.11 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 59.10 1i11 h LYS 20 Cb 0.57 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.33 1i11 h LYS 20 CO 0.03 0.00 -2.29 -0.89 -2.27 0.00 0.00 179.45 174.03 1i11 n ILE 21 N -2.87 1.56 -0.19 2.00 -0.00 0.28 -4.15 119.36 115.98 1i11 n ILE 21 Ca 0.02 -0.48 0.29 0.00 -0.00 0.00 0.00 62.75 62.58 1i11 n ILE 21 Cb 0.34 -1.67 0.72 0.00 -0.00 0.00 0.00 39.64 39.03 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 0.01 -1.09 1.39 5.85 0.33 2.52 115.31 123.94 1i11 h LEU 22 Ca -0.57 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.11 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 -0.17 0.00 0.17 0.06 -0.34 0.00 0.00 178.44 178.17 1i11 h GLN 23 N 0.01 0.82 0.00 1.25 3.07 -1.68 0.40 115.11 118.98 1i11 h GLN 23 Ca 0.44 -0.15 0.00 0.00 0.09 0.00 0.00 58.65 59.03 1i11 h GLN 23 Cb 1.74 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 29.17 1i11 h GLN 23 CO -0.01 0.71 -0.48 0.00 0.09 0.00 0.00 178.83 179.14 1i11 n ALA 24 N -2.46 3.46 -2.96 0.06 0.00 0.76 -4.46 120.51 114.91 1i11 n ALA 24 Ca 0.04 -0.33 -0.14 0.00 0.00 0.00 0.00 53.44 53.01 1i11 n ALA 24 Cb 0.20 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.52 -2.33 0.58 0.00 3.72 0.36 -4.96 117.46 113.30 1i11 n PHE 25 Ca 0.06 -2.36 0.06 0.00 -0.05 0.00 0.00 57.45 55.15 1i11 n PHE 25 Cb 0.34 0.86 0.30 0.00 -0.94 0.00 0.00 39.48 40.04 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 2.03 0.21 -0.08 -1.08 -0.04 0.12 -1.95 135.00 134.21 1i11 n PRO 26 Ca 0.17 0.14 -0.09 0.00 -0.04 0.00 0.00 63.50 63.68 1i11 n PRO 26 Cb 0.57 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.23 1.32 -4.56 3.54 8.00 -1.26 -4.78 116.55 117.58 1i11 n ASP 27 Ca 0.06 -0.02 -0.21 0.00 0.71 0.00 0.00 54.79 55.33 1i11 n ASP 27 Cb 0.08 0.66 -0.06 0.00 -0.02 0.00 0.00 41.12 41.78 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 -2.39 1.97 0.74 -1.24 1.75 -0.82 -4.91 119.30 114.39 1i11 s MET 28 Ca -0.12 0.36 -0.13 0.00 -1.25 0.00 0.00 55.69 54.55 1i11 s MET 28 Cb 0.05 -4.83 0.17 0.00 2.84 0.00 0.00 34.83 33.07 1i11 s MET 28 CO 0.62 -3.96 0.92 -2.39 -0.65 0.00 0.00 175.02 169.56 1i11 n HIS 29 N 16.80 -3.92 -0.01 4.11 1.44 -1.26 -4.29 115.22 128.09 1i11 n HIS 29 Ca 0.43 -0.81 -0.03 0.00 -2.01 0.00 0.00 57.72 55.29 1i11 n HIS 29 Cb 0.46 -0.75 -0.02 0.00 0.12 0.00 0.00 29.99 29.79 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 -1.46 -0.38 -1.20 4.39 4.21 -1.97 0.61 115.58 119.78 1i11 h ASN 30 Ca -0.31 0.05 0.35 0.00 1.21 0.00 0.00 56.30 57.60 1i11 h ASN 30 Cb 0.86 0.15 -0.05 0.00 -1.12 0.00 0.00 38.32 38.16 1i11 h ASN 30 CO 0.21 -0.10 1.16 -0.24 -1.29 0.00 0.00 177.43 177.18 1i11 n SER 31 N -3.22 0.00 -0.12 5.81 2.88 -1.26 -0.57 113.62 117.14 1i11 n SER 31 Ca -0.01 0.75 -0.25 0.00 -1.33 0.00 0.00 58.87 58.03 1i11 n SER 31 Cb 0.08 -0.30 -0.08 0.00 -0.75 0.00 0.00 64.21 63.15 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 -3.26 1.71 0.05 -3.46 4.13 -0.16 -4.35 115.26 109.92 1i11 n ASN 32 Ca 0.27 0.30 0.22 0.00 1.68 0.00 0.00 54.58 57.04 1i11 n ASN 32 Cb 1.52 -0.71 0.73 0.00 -1.54 0.00 0.00 39.78 39.78 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 -0.87 0.39 -0.30 2.41 1.08 0.16 -0.12 117.51 120.27 1i11 h ILE 33 Ca -0.59 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 63.94 1i11 h ILE 33 Cb 1.50 0.62 -0.05 0.00 -3.07 0.00 0.00 36.82 35.82 1i11 h ILE 33 CO -0.35 0.00 -0.01 0.28 -0.69 0.00 0.00 178.15 177.37 1i11 h SER 34 N 0.00 -0.15 0.45 1.72 0.02 -1.03 1.18 113.55 115.75 1i11 h SER 34 Ca 0.23 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.20 1i11 h SER 34 Cb 1.22 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 1i11 h SER 34 CO -0.00 -0.04 -0.25 0.11 -1.14 0.00 0.00 176.83 175.50 1i11 h LYS 35 N 0.07 0.00 0.30 3.45 1.79 -1.25 0.14 116.57 121.08 1i11 h LYS 35 Ca 0.14 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 1i11 h LYS 35 Cb 0.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1i11 h LYS 35 CO -0.25 0.25 -0.15 0.82 -1.08 0.00 0.00 179.45 179.05 1i11 h ILE 36 N 0.00 0.46 0.46 1.86 5.03 -0.51 -1.58 117.51 123.23 1i11 h ILE 36 Ca -0.00 -0.81 -0.01 0.00 -0.12 0.00 0.00 64.86 63.92 1i11 h ILE 36 Cb 0.55 0.75 -0.02 0.00 -3.03 0.00 0.00 36.82 35.07 1i11 h ILE 36 CO 0.03 0.11 -0.47 -0.07 -0.68 0.00 0.00 178.15 177.07 1i11 h LEU 37 N -0.97 -1.29 -0.98 1.44 3.38 0.15 1.14 115.31 118.17 1i11 h LEU 37 Ca -0.04 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1i11 h LEU 37 Cb 0.49 0.43 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1i11 h LEU 37 CO 0.07 -0.62 0.16 0.61 0.09 0.00 0.00 178.44 178.75 1i11 n GLY 38 N -1.52 -0.68 0.01 0.83 0.00 0.48 0.22 105.19 104.52 1i11 n GLY 38 Ca -0.11 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.04 0.30 0.00 1.61 7.64 0.26 -3.15 113.62 118.24 1i11 n SER 39 Ca -0.01 -0.14 -0.11 0.00 1.01 0.00 0.00 58.87 59.63 1i11 n SER 39 Cb 0.18 1.83 -0.14 0.00 -1.01 0.00 0.00 64.21 65.07 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 0.06 0.73 1.43 3.08 1.04 -2.97 114.38 117.76 1i11 h ARG 40 Ca 0.00 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 1i11 h ARG 40 Cb 0.90 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.99 1i11 h ARG 40 CO 0.00 0.73 -0.35 2.35 -1.07 0.00 0.00 179.97 181.63 1i11 h TRP 41 N 0.02 -0.91 -0.04 3.04 2.91 0.25 -1.65 115.95 119.56 1i11 h TRP 41 Ca -0.25 -0.02 0.01 0.00 1.13 0.00 0.00 58.89 59.76 1i11 h TRP 41 Cb 1.98 0.30 -0.00 0.00 -0.51 0.00 0.00 29.16 30.93 1i11 h TRP 41 CO 0.02 -0.56 0.10 0.87 -1.03 0.00 0.00 178.44 177.84 1i11 h LYS 42 N -1.25 0.00 0.00 2.65 1.57 -1.70 0.97 116.57 118.81 1i11 h LYS 42 Ca -0.10 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1i11 h LYS 42 Cb 0.76 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 1i11 h LYS 42 CO 0.17 0.00 -0.13 0.00 -0.57 0.00 0.00 179.45 178.91 1i11 h ALA 43 N 1.83 1.06 -3.00 3.86 0.00 -1.19 -3.42 119.26 118.41 1i11 h ALA 43 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1i11 h ALA 43 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1i11 h ALA 43 CO -0.00 0.17 0.00 -1.33 0.00 0.00 0.00 179.25 178.09 1i11 n MET 44 N -3.33 3.57 0.00 0.00 2.81 0.34 -5.05 117.12 115.46 1i11 n MET 44 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1i11 n MET 44 Cb 0.35 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.86 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 -5.07 114.28 107.74 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 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.92 0.00 0.23 3.42 4.13 -1.26 -4.88 115.26 115.98 1i11 n ASN 46 Ca 0.00 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.37 1i11 n ASN 46 Cb 0.00 0.13 0.50 0.00 -1.54 0.00 0.00 39.78 38.86 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 0.00 -0.19 3.41 5.85 -2.00 -1.33 115.31 121.06 1i11 h LEU 47 Ca 0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 1i11 h LEU 47 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1i11 h LEU 47 CO 0.00 0.20 -0.69 -0.33 -0.34 0.00 0.00 178.44 177.29 1i11 h GLU 48 N 0.00 0.00 0.00 1.25 5.08 -1.97 -3.10 114.58 115.84 1i11 h GLU 48 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i11 h GLU 48 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1i11 h GLU 48 CO 0.03 0.69 -0.48 0.87 -1.00 0.00 0.00 179.01 179.11 1i11 h LYS 49 N 0.00 0.00 -0.76 2.33 1.57 -1.72 -3.35 116.57 114.64 1i11 h LYS 49 Ca -0.01 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1i11 h LYS 49 Cb 1.45 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.72 1i11 h LYS 49 CO 0.09 0.00 0.50 0.37 -0.57 0.00 0.00 179.45 179.84 1i11 h GLN 50 N 0.00 1.00 -0.06 3.15 4.15 -1.18 -1.65 115.11 120.51 1i11 h GLN 50 Ca 0.00 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.22 1i11 h GLN 50 Cb 0.81 -0.22 0.01 0.00 0.21 0.00 0.00 27.48 28.29 1i11 h GLN 50 CO 0.00 0.66 -0.49 -1.00 -1.93 0.00 0.00 178.83 176.07 1i11 h PRO 51 N 1.03 0.44 0.00 -2.39 0.13 -1.72 -2.82 132.00 126.68 1i11 h PRO 51 Ca 0.28 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1i11 h PRO 51 Cb -0.12 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.10 1i11 h PRO 51 CO -0.06 1.04 0.00 0.66 -0.23 0.00 0.00 178.00 179.41 1i11 n TYR 52 N -4.27 0.00 0.03 1.56 4.01 -1.18 -2.66 117.16 114.65 1i11 n TYR 52 Ca -0.09 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.46 1i11 n TYR 52 Cb 0.60 -0.16 -0.14 0.00 -0.31 0.00 0.00 39.34 39.33 1i11 n TYR 52 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1i11 h TYR 53 N 0.00 0.47 -0.18 -0.72 5.03 -1.02 -3.23 116.97 117.32 1i11 h TYR 53 Ca 0.00 -0.33 -0.05 0.00 2.58 0.00 0.00 58.73 60.93 1i11 h TYR 53 Cb 0.09 -0.02 -0.00 0.00 1.55 0.00 0.00 36.73 38.34 1i11 h TYR 53 CO 0.00 1.25 -0.09 1.05 -1.32 0.00 0.00 178.16 179.04 1i11 h GLU 54 N -0.44 0.38 -0.09 1.82 4.11 -1.55 -2.21 114.58 116.60 1i11 h GLU 54 Ca -0.11 -0.17 0.03 0.00 0.07 0.00 0.00 59.36 59.17 1i11 h GLU 54 Cb 1.51 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.75 1i11 h GLU 54 CO 0.13 0.69 0.28 0.93 0.07 0.00 0.00 179.01 181.11 1i11 h GLU 55 N 0.05 0.00 0.06 1.06 5.08 -1.69 -0.23 114.58 118.91 1i11 h GLU 55 Ca 0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1i11 h GLU 55 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1i11 h GLU 55 CO 0.03 0.00 -0.03 0.37 -1.00 0.00 0.00 179.01 178.38 1i11 h GLN 56 N 0.00 -0.08 -1.31 2.33 4.15 -1.43 -3.08 115.11 115.69 1i11 h GLN 56 Ca 0.04 0.01 0.38 0.00 0.77 0.00 0.00 58.65 59.85 1i11 h GLN 56 Cb 0.61 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.26 1i11 h GLN 56 CO -0.00 0.34 0.94 0.00 -1.93 0.00 0.00 178.83 178.18 1i11 h ALA 57 N -0.54 3.21 -0.07 3.38 0.00 -0.54 2.15 119.26 126.85 1i11 h ALA 57 Ca -0.01 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1i11 h ALA 57 Cb 0.45 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1i11 h ALA 57 CO 0.01 -1.59 -0.51 0.07 0.00 0.00 0.00 179.25 177.23 1i11 h ARG 58 N 0.02 0.18 -0.08 0.00 -0.00 -1.27 -2.55 114.38 110.67 1i11 h ARG 58 Ca 0.63 -0.10 -0.03 0.00 -0.00 0.00 0.00 59.98 60.48 1i11 h ARG 58 Cb 2.49 0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 32.46 1i11 h ARG 58 CO -0.03 0.65 -0.07 -0.07 -0.00 0.00 0.00 179.97 180.45 1i11 h LEU 59 N 0.14 0.11 -0.40 0.08 3.38 0.36 -1.33 115.31 117.65 1i11 h LEU 59 Ca 0.00 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 1i11 h LEU 59 Cb 0.95 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1i11 h LEU 59 CO 0.08 0.20 -0.75 0.28 0.09 0.00 0.00 178.44 178.34 1i11 h SER 60 N 0.12 0.41 -0.18 -0.43 0.02 -1.23 0.18 113.55 112.43 1i11 h SER 60 Ca 0.03 -0.28 0.04 0.00 -0.84 0.00 0.00 61.79 60.74 1i11 h SER 60 Cb 0.21 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 1i11 h SER 60 CO 0.01 1.02 -0.08 0.50 -1.14 0.00 0.00 176.83 177.14 1i11 h LYS 61 N 0.22 -0.06 0.00 3.45 1.63 -1.07 -1.51 116.57 119.24 1i11 h LYS 61 Ca -0.03 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.71 1i11 h LYS 61 Cb 1.33 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.96 1i11 h LYS 61 CO 0.12 -0.04 -0.37 1.96 -3.45 0.00 0.00 179.45 177.68 1i11 h GLN 62 N -0.06 0.00 0.00 1.90 4.20 -1.47 -2.98 115.11 116.70 1i11 h GLN 62 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1i11 h GLN 62 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1i11 h GLN 62 CO -0.22 0.30 0.00 1.58 -0.67 0.00 0.00 178.83 179.82 1i11 n HIS 63 N -3.15 0.00 -0.34 2.96 -0.00 0.63 -1.34 115.22 113.98 1i11 n HIS 63 Ca 0.02 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.19 1i11 n HIS 63 Cb 0.66 -0.37 0.12 0.00 -0.12 0.00 0.00 29.99 30.28 1i11 n HIS 63 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1i11 h LEU 64 N 0.00 1.02 -1.57 0.27 -0.00 -1.56 0.76 115.31 114.23 1i11 h LEU 64 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1i11 h LEU 64 Cb 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.42 1i11 h LEU 64 CO 0.00 0.71 0.05 -0.33 -0.00 0.00 0.00 178.44 178.87 1i11 h GLU 65 N 1.19 0.00 0.00 1.13 5.08 -1.51 -2.77 114.58 117.70 1i11 h GLU 65 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1i11 h GLU 65 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1i11 h GLU 65 CO -0.11 0.00 -0.18 0.87 -1.00 0.00 0.00 179.01 178.59 1i11 h LYS 66 N 0.00 0.00 -2.21 2.33 1.57 0.46 -3.48 116.57 115.24 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 0.09 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.18 1i11 h LYS 66 CO 0.00 0.00 -0.19 1.52 -0.57 0.00 0.00 179.45 180.21 1i11 s TYR 67 N -1.71 -1.08 0.00 -1.35 1.13 -1.04 -5.11 117.35 108.20 1i11 s TYR 67 Ca -0.05 1.98 0.00 0.00 -1.41 0.00 0.00 57.07 57.58 1i11 s TYR 67 Cb 0.01 0.59 0.00 0.00 -1.10 0.00 0.00 41.96 41.45 1i11 s TYR 67 CO 0.08 -0.56 0.00 -0.35 -2.51 0.00 0.00 175.55 172.21 1i11 n PRO 68 N 5.13 0.00 0.00 -3.49 -0.04 -1.25 -4.70 135.00 130.65 1i11 n PRO 68 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1i11 n PRO 68 Cb 0.51 -0.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 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 0.00 0.00 0.00 3.54 -0.08 -1.26 -4.63 116.55 114.12 1i11 n ASP 69 Ca 0.00 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.29 1i11 n ASP 69 Cb 0.00 0.00 0.06 0.00 2.34 0.00 0.00 41.12 43.52 1i11 n ASP 69 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10