#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 -2.96 -2.91 6.00 8.25 -1.26 -4.80 115.22 117.54 1i11 n HIS 2 Ca 0.00 1.75 -0.43 0.00 -0.26 0.00 0.00 57.72 58.77 1i11 n HIS 2 Cb 0.00 -2.81 -0.04 0.00 1.12 0.00 0.00 29.99 28.26 1i11 n HIS 2 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1i11 s ILE 3 N -0.39 4.45 -0.28 1.59 1.01 -1.26 -4.89 121.20 121.43 1i11 s ILE 3 Ca -0.08 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 1i11 s ILE 3 Cb 0.01 -4.67 0.14 0.00 0.01 0.00 0.00 42.46 37.95 1i11 s ILE 3 CO 0.21 -1.41 2.18 1.17 0.00 0.00 0.00 174.94 177.09 1i11 n LYS 4 N 7.35 1.78 -0.07 2.79 4.81 -1.26 -4.35 118.16 129.20 1i11 n LYS 4 Ca -0.01 -1.42 -0.09 0.00 -0.87 0.00 0.00 58.31 55.92 1i11 n LYS 4 Cb 0.45 -1.61 -0.06 0.00 0.02 0.00 0.00 35.03 33.83 1i11 n LYS 4 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 1i11 h ARG 5 N 1.67 0.00 -4.53 1.64 1.12 -2.01 -3.39 114.38 108.88 1i11 h ARG 5 Ca 0.26 0.00 -0.70 0.00 -1.11 0.00 0.00 59.98 58.42 1i11 h ARG 5 Cb 0.92 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 30.82 1i11 h ARG 5 CO 0.65 0.46 2.77 -0.35 -3.11 0.00 0.00 179.97 180.38 1i11 n PRO 6 N -4.63 3.00 0.01 0.20 -0.04 -1.26 -4.61 135.00 127.67 1i11 n PRO 6 Ca -0.11 -2.87 -0.04 0.00 -0.04 0.00 0.00 63.50 60.44 1i11 n PRO 6 Cb 0.32 -3.33 -0.11 0.00 -0.04 0.00 0.00 33.50 30.34 1i11 n PRO 6 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1i11 h MET 7 N 6.46 0.00 0.00 0.54 2.86 -1.92 -3.43 114.93 119.45 1i11 h MET 7 Ca 0.52 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 58.29 1i11 h MET 7 Cb 0.71 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 1i11 h MET 7 CO 1.74 0.39 0.34 -1.71 1.06 0.00 0.00 176.91 178.73 1i11 n ASN 8 N -2.97 -0.46 0.29 1.22 5.15 -1.26 -4.97 115.26 112.26 1i11 n ASN 8 Ca -0.13 -1.10 0.19 0.00 -0.60 0.00 0.00 54.58 52.94 1i11 n ASN 8 Cb 0.94 0.71 0.88 0.00 -0.53 0.00 0.00 39.78 41.77 1i11 n ASN 8 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i11 h ALA 9 N 2.00 1.00 0.20 5.20 0.00 -1.88 -2.75 119.26 123.04 1i11 h ALA 9 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1i11 h ALA 9 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1i11 h ALA 9 CO 0.12 0.00 -0.10 0.35 0.00 0.00 0.00 179.25 179.62 1i11 h PHE 10 N 0.00 -0.25 0.00 0.00 3.04 -1.93 2.44 116.94 120.23 1i11 h PHE 10 Ca 0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1i11 h PHE 10 Cb 0.29 0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.88 1i11 h PHE 10 CO 0.00 -0.16 0.00 0.52 -2.02 0.00 0.00 178.31 176.65 1i11 h MET 11 N -0.34 0.00 0.07 1.11 2.86 -1.86 2.53 114.93 119.29 1i11 h MET 11 Ca -0.03 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.45 1i11 h MET 11 Cb 0.21 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 1i11 h MET 11 CO 0.05 0.00 -0.81 0.28 1.06 0.00 0.00 176.91 177.48 1i11 h VAL 12 N 0.00 1.37 0.09 -2.22 2.07 -1.14 -2.58 116.25 113.84 1i11 h VAL 12 Ca 0.00 -2.39 -0.28 0.00 0.82 0.00 0.00 66.70 64.85 1i11 h VAL 12 Cb 0.04 2.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 1i11 h VAL 12 CO 0.00 0.62 -1.35 -0.25 0.02 0.00 0.00 177.57 176.61 1i11 h TRP 13 N -0.64 0.37 0.00 1.57 7.01 0.57 -3.31 115.95 121.52 1i11 h TRP 13 Ca -0.18 -0.27 -0.06 0.00 2.11 0.00 0.00 58.89 60.49 1i11 h TRP 13 Cb 1.43 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 28.47 1i11 h TRP 13 CO 0.19 1.26 -0.29 0.00 -2.79 0.00 0.00 178.44 176.80 1i11 h ALA 14 N 0.64 0.98 0.00 2.65 0.00 0.41 0.99 119.26 124.93 1i11 h ALA 14 Ca -0.17 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1i11 h ALA 14 Cb 1.96 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 1i11 h ALA 14 CO 0.17 0.36 -0.30 1.57 0.00 0.00 0.00 179.25 181.05 1i11 h LYS 15 N 0.00 0.00 0.01 0.00 2.10 -1.54 1.52 116.57 118.67 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 0.86 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.13 1i11 h LYS 15 CO 0.04 0.30 -2.04 -3.47 -2.00 0.00 0.00 179.45 172.27 1i11 n ASP 16 N -4.06 0.77 0.03 7.07 2.03 -1.10 -2.61 116.55 118.68 1i11 n ASP 16 Ca -0.02 0.21 -0.05 0.00 0.52 0.00 0.00 54.79 55.45 1i11 n ASP 16 Cb 0.35 0.21 0.16 0.00 -0.72 0.00 0.00 41.12 41.13 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 0.43 -0.01 -0.67 4.39 -0.35 1.99 114.58 120.36 1i11 h GLU 17 Ca -0.42 -0.20 -0.22 0.00 0.34 0.00 0.00 59.36 58.86 1i11 h GLU 17 Cb 2.09 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.74 1i11 h GLU 17 CO 0.05 0.75 -0.92 0.07 -1.16 0.00 0.00 179.01 177.80 1i11 h ARG 18 N 0.36 0.43 -0.48 2.33 -0.00 0.20 0.47 114.38 117.69 1i11 h ARG 18 Ca 0.03 -0.44 -0.13 0.00 -0.00 0.00 0.00 59.98 59.44 1i11 h ARG 18 Cb 0.84 0.12 -0.01 0.00 -0.00 0.00 0.00 29.97 30.92 1i11 h ARG 18 CO 0.07 1.10 -0.22 0.07 -0.00 0.00 0.00 179.97 180.99 1i11 h ARG 19 N 0.25 0.99 0.00 0.08 0.11 -1.18 1.65 114.38 116.28 1i11 h ARG 19 Ca -0.08 -0.43 -0.02 0.00 0.10 0.00 0.00 59.98 59.55 1i11 h ARG 19 Cb 1.55 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 32.60 1i11 h ARG 19 CO 0.16 1.10 -0.11 0.87 0.10 0.00 0.00 179.97 182.09 1i11 h LYS 20 N 0.85 0.00 0.02 0.08 1.57 0.35 -2.82 116.57 116.62 1i11 h LYS 20 Ca 0.11 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.54 1i11 h LYS 20 Cb 0.80 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.06 1i11 h LYS 20 CO 0.07 0.11 -2.15 -0.89 -0.57 0.00 0.00 179.45 176.03 1i11 n ILE 21 N -3.22 1.52 0.26 1.86 5.41 0.16 -4.03 119.36 121.33 1i11 n ILE 21 Ca 0.01 -0.77 0.09 0.00 1.00 0.00 0.00 62.75 63.08 1i11 n ILE 21 Cb 0.41 -0.95 0.67 0.00 -0.71 0.00 0.00 39.64 39.06 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 0.01 0.00 -0.75 1.39 5.85 0.25 1.23 115.31 123.29 1i11 h LEU 22 Ca -0.46 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.18 1i11 h LEU 22 Cb 2.10 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 43.10 1i11 h LEU 22 CO 0.03 0.02 0.06 0.06 -0.34 0.00 0.00 178.44 178.27 1i11 h GLN 23 N 0.00 1.01 0.00 1.25 3.07 -1.64 1.28 115.11 120.08 1i11 h GLN 23 Ca -0.00 -0.28 0.00 0.00 0.09 0.00 0.00 58.65 58.46 1i11 h GLN 23 Cb 0.03 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 27.48 1i11 h GLN 23 CO 0.00 0.96 -0.30 0.00 0.09 0.00 0.00 178.83 179.58 1i11 n ALA 24 N -2.47 3.01 -2.91 0.06 0.00 0.59 -4.32 120.51 114.46 1i11 n ALA 24 Ca 0.04 -0.24 -0.14 0.00 0.00 0.00 0.00 53.44 53.10 1i11 n ALA 24 Cb 0.31 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.55 -2.26 0.85 0.00 3.01 0.39 -4.95 117.46 112.95 1i11 n PHE 25 Ca 0.06 -2.42 0.08 0.00 1.01 0.00 0.00 57.45 56.18 1i11 n PHE 25 Cb 0.34 0.88 0.43 0.00 -0.01 0.00 0.00 39.48 41.13 1i11 n PHE 25 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1i11 n PRO 26 N 1.49 0.32 -0.10 -1.08 -0.04 0.42 -2.19 135.00 133.83 1i11 n PRO 26 Ca 0.13 0.09 -0.13 0.00 -0.04 0.00 0.00 63.50 63.55 1i11 n PRO 26 Cb 0.60 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.20 1.92 -4.56 3.54 -0.08 -1.26 -4.76 116.55 110.15 1i11 n ASP 27 Ca 0.09 -0.09 -0.27 0.00 -1.51 0.00 0.00 54.79 53.02 1i11 n ASP 27 Cb 0.11 -0.02 -0.05 0.00 2.34 0.00 0.00 41.12 43.49 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 -2.43 2.12 0.02 -0.67 1.75 -0.93 -4.90 119.30 114.25 1i11 s MET 28 Ca -0.24 0.57 -0.00 0.00 -1.25 0.00 0.00 55.69 54.77 1i11 s MET 28 Cb 0.07 -4.73 0.00 0.00 2.84 0.00 0.00 34.83 33.02 1i11 s MET 28 CO 0.55 -3.61 0.02 -2.39 -0.65 0.00 0.00 175.02 168.95 1i11 n HIS 29 N 15.89 -3.74 0.05 4.11 1.44 -1.26 -4.33 115.22 127.38 1i11 n HIS 29 Ca 0.38 -0.02 -0.04 0.00 -2.01 0.00 0.00 57.72 56.03 1i11 n HIS 29 Cb 0.49 -0.02 -0.02 0.00 0.12 0.00 0.00 29.99 30.56 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 -0.30 -0.33 -1.49 4.39 -1.24 -1.96 1.29 115.58 115.96 1i11 h ASN 30 Ca -0.01 0.03 0.43 0.00 0.71 0.00 0.00 56.30 57.46 1i11 h ASN 30 Cb 0.02 0.11 -0.06 0.00 0.73 0.00 0.00 38.32 39.12 1i11 h ASN 30 CO 0.01 -0.14 1.16 -1.54 -1.29 0.00 0.00 177.43 175.62 1i11 n SER 31 N -3.03 0.00 -0.12 1.15 3.41 -1.26 -0.31 113.62 113.46 1i11 n SER 31 Ca -0.02 0.79 -0.24 0.00 -0.26 0.00 0.00 58.87 59.13 1i11 n SER 31 Cb 0.10 -0.37 -0.09 0.00 -0.26 0.00 0.00 64.21 63.58 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 -3.45 1.88 0.18 4.04 3.02 -0.80 -4.28 115.26 115.85 1i11 n ASN 32 Ca 0.33 0.18 0.18 0.00 -0.03 0.00 0.00 54.58 55.25 1i11 n ASN 32 Cb 1.60 -0.63 0.75 0.00 -0.61 0.00 0.00 39.78 40.89 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 -0.64 0.22 -0.35 2.41 1.08 0.43 0.07 117.51 120.72 1i11 h ILE 33 Ca -0.60 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 63.93 1i11 h ILE 33 Cb 1.62 0.63 -0.05 0.00 -3.07 0.00 0.00 36.82 35.95 1i11 h ILE 33 CO -0.30 0.00 0.04 0.28 -0.69 0.00 0.00 178.15 177.48 1i11 h SER 34 N 0.00 -0.06 0.66 1.72 0.02 -0.84 0.88 113.55 115.93 1i11 h SER 34 Ca 0.12 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1i11 h SER 34 Cb 0.97 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 1i11 h SER 34 CO -0.00 0.01 -0.22 0.11 -1.14 0.00 0.00 176.83 175.58 1i11 h LYS 35 N 0.15 0.00 0.15 3.45 1.79 -1.22 0.57 116.57 121.46 1i11 h LYS 35 Ca 0.17 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.63 1i11 h LYS 35 Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1i11 h LYS 35 CO -0.25 0.22 -0.07 0.82 -1.08 0.00 0.00 179.45 179.09 1i11 h ILE 36 N 0.00 0.95 0.86 1.86 5.03 -0.41 -1.57 117.51 124.23 1i11 h ILE 36 Ca -0.00 -1.08 -0.04 0.00 -0.12 0.00 0.00 64.86 63.61 1i11 h ILE 36 Cb 0.61 1.55 0.01 0.00 -3.03 0.00 0.00 36.82 35.95 1i11 h ILE 36 CO 0.03 0.23 -0.42 -0.07 -0.68 0.00 0.00 178.15 177.24 1i11 h LEU 37 N -0.78 -1.00 -1.11 1.44 3.38 0.80 1.19 115.31 119.24 1i11 h LEU 37 Ca -0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1i11 h LEU 37 Cb 0.53 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1i11 h LEU 37 CO 0.03 -0.71 0.21 1.23 0.09 0.00 0.00 178.44 179.29 1i11 h GLY 38 N -1.16 0.00 0.00 0.83 0.00 -0.98 2.22 103.07 103.98 1i11 h GLY 38 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1i11 h GLY 38 CO 0.19 0.00 -1.63 -1.14 0.00 0.00 0.00 176.54 173.96 1i11 n SER 39 N -2.15 0.79 0.01 0.19 3.41 -0.29 -3.22 113.62 112.35 1i11 n SER 39 Ca -0.01 -0.20 -0.10 0.00 -0.26 0.00 0.00 58.87 58.30 1i11 n SER 39 Cb 0.23 1.66 -0.14 0.00 -0.26 0.00 0.00 64.21 65.71 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 0.04 0.58 4.33 2.47 1.08 -2.94 114.38 119.94 1i11 h ARG 40 Ca 0.00 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.62 1i11 h ARG 40 Cb 0.76 0.03 0.01 0.00 -1.65 0.00 0.00 29.97 29.11 1i11 h ARG 40 CO 0.00 0.71 -0.28 2.35 0.56 0.00 0.00 179.97 183.31 1i11 h TRP 41 N 0.01 -0.72 -0.37 3.04 2.91 0.29 -2.63 115.95 118.48 1i11 h TRP 41 Ca -0.23 -0.02 0.10 0.00 1.13 0.00 0.00 58.89 59.87 1i11 h TRP 41 Cb 1.97 0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 30.84 1i11 h TRP 41 CO 0.01 -0.45 0.26 -0.22 -1.03 0.00 0.00 178.44 177.02 1i11 h LYS 42 N -1.12 0.02 0.00 2.65 1.63 -1.71 1.09 116.57 119.13 1i11 h LYS 42 Ca -0.08 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1i11 h LYS 42 Cb 0.60 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 1i11 h LYS 42 CO 0.13 0.01 0.00 0.00 -3.45 0.00 0.00 179.45 176.14 1i11 n ALA 43 N -2.61 1.99 -1.00 5.00 0.00 -1.09 -4.66 120.51 118.14 1i11 n ALA 43 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1i11 n ALA 43 Cb 0.44 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.15 3.30 0.00 0.00 2.81 0.38 -5.02 117.12 117.45 1i11 n MET 44 Ca 0.10 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 1i11 n MET 44 Cb 0.09 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.60 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 -5.02 114.28 107.79 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 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 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 0.00 0.00 -0.23 3.42 5.15 -1.26 -4.31 115.26 118.03 1i11 n ASN 46 Ca 0.00 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 53.99 1i11 n ASN 46 Cb 0.49 0.00 0.24 0.00 -0.53 0.00 0.00 39.78 39.98 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 0.88 0.00 1.20 6.46 -2.02 0.40 115.31 122.22 1i11 h LEU 47 Ca 0.00 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1i11 h LEU 47 Cb 0.00 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 39.71 1i11 h LEU 47 CO 0.00 0.63 0.00 1.21 -0.62 0.00 0.00 178.44 179.66 1i11 n GLU 48 N -4.42 0.28 0.13 1.25 2.13 -1.26 -2.31 120.64 116.44 1i11 n GLU 48 Ca 0.09 0.09 0.09 0.00 0.66 0.00 0.00 57.16 58.09 1i11 n GLU 48 Cb 0.05 -1.50 0.04 0.00 0.27 0.00 0.00 31.44 30.30 1i11 n GLU 48 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1i11 h LYS 49 N 0.00 0.00 -0.80 5.31 3.64 -0.53 -3.35 116.57 120.84 1i11 h LYS 49 Ca 0.00 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.51 1i11 h LYS 49 Cb 0.22 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.95 1i11 h LYS 49 CO 0.00 0.08 0.39 0.37 -2.27 0.00 0.00 179.45 178.02 1i11 h GLN 50 N 0.00 0.57 0.10 1.90 4.15 -1.31 0.08 115.11 120.60 1i11 h GLN 50 Ca -0.02 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 1i11 h GLN 50 Cb 1.11 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.67 1i11 h GLN 50 CO 0.01 0.38 -0.05 -1.00 -1.93 0.00 0.00 178.83 176.24 1i11 h PRO 51 N 0.59 -0.13 0.00 -2.39 0.13 -1.78 -2.70 132.00 125.72 1i11 h PRO 51 Ca 0.42 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.56 1i11 h PRO 51 Cb 0.57 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1i11 h PRO 51 CO -0.34 0.37 0.00 0.66 -0.23 0.00 0.00 178.00 178.46 1i11 n TYR 52 N -4.88 0.54 0.08 1.56 4.01 -1.15 -1.11 117.16 116.22 1i11 n TYR 52 Ca -0.08 0.26 -0.18 0.00 -0.16 0.00 0.00 57.90 57.74 1i11 n TYR 52 Cb 0.28 -0.92 -0.10 0.00 -0.31 0.00 0.00 39.34 38.29 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 0.79 -0.07 -0.72 -1.99 -0.70 -3.05 116.97 111.24 1i11 h TYR 53 Ca 0.00 -0.48 -0.02 0.00 2.00 0.00 0.00 58.73 60.23 1i11 h TYR 53 Cb 0.09 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 38.75 1i11 h TYR 53 CO 0.00 1.33 -0.02 0.93 -0.00 0.00 0.00 178.16 180.40 1i11 h GLU 54 N 0.23 0.13 0.00 4.88 5.08 -0.81 -1.71 114.58 122.39 1i11 h GLU 54 Ca -0.14 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1i11 h GLU 54 Cb 1.80 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.05 1i11 h GLU 54 CO 0.21 0.47 0.00 0.93 -1.00 0.00 0.00 179.01 179.62 1i11 h GLU 55 N -0.22 0.00 0.02 2.33 5.08 -1.64 -2.34 114.58 117.81 1i11 h GLU 55 Ca 0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1i11 h GLU 55 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1i11 h GLU 55 CO 0.01 0.00 -0.01 0.37 -1.00 0.00 0.00 179.01 178.38 1i11 h GLN 56 N 0.00 -0.02 -0.82 2.33 5.75 -1.27 -3.13 115.11 117.95 1i11 h GLN 56 Ca 0.00 0.00 0.24 0.00 -0.15 0.00 0.00 58.65 58.74 1i11 h GLN 56 Cb 0.07 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 1i11 h GLN 56 CO 0.00 -0.01 0.89 0.00 -2.65 0.00 0.00 178.83 177.06 1i11 h ALA 57 N -1.33 2.65 -0.20 3.38 0.00 -1.01 0.96 119.26 123.71 1i11 h ALA 57 Ca -0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1i11 h ALA 57 Cb 0.02 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1i11 h ALA 57 CO 0.00 -1.31 -0.29 0.00 0.00 0.00 0.00 179.25 177.65 1i11 h ARG 58 N 0.00 0.56 0.00 0.00 3.08 -1.46 -2.51 114.38 114.05 1i11 h ARG 58 Ca 0.39 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1i11 h ARG 58 Cb 2.16 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 32.24 1i11 h ARG 58 CO -0.00 0.93 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.61 1i11 h LEU 59 N 0.23 0.00 -0.20 3.04 3.38 0.99 -2.26 115.31 120.48 1i11 h LEU 59 Ca 0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1i11 h LEU 59 Cb 0.87 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1i11 h LEU 59 CO 0.07 0.14 -0.65 -1.28 0.09 0.00 0.00 178.44 176.81 1i11 h SER 60 N 0.00 0.00 -0.05 -0.43 0.87 -1.12 -1.46 113.55 111.37 1i11 h SER 60 Ca -0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1i11 h SER 60 Cb 0.52 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1i11 h SER 60 CO 0.02 0.65 -0.05 0.50 -0.53 0.00 0.00 176.83 177.41 1i11 h LYS 61 N 0.00 0.13 -0.00 2.24 1.63 -0.97 -0.55 116.57 119.05 1i11 h LYS 61 Ca -0.01 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1i11 h LYS 61 Cb 1.41 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.04 1i11 h LYS 61 CO 0.08 0.58 -0.02 1.04 -3.45 0.00 0.00 179.45 177.69 1i11 n GLN 62 N -4.75 0.26 -0.05 1.90 6.02 -1.13 -2.70 117.38 116.92 1i11 n GLN 62 Ca -0.08 -0.01 -0.04 0.00 -0.01 0.00 0.00 57.00 56.86 1i11 n GLN 62 Cb 0.29 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.04 1i11 n GLN 62 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1i11 n HIS 63 N -1.36 0.48 -0.19 1.08 -0.00 -0.55 -4.03 115.22 110.65 1i11 n HIS 63 Ca 0.11 0.21 -0.07 0.00 0.46 0.00 0.00 57.72 58.43 1i11 n HIS 63 Cb 0.29 -0.54 0.03 0.00 -0.12 0.00 0.00 29.99 29.64 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 -0.70 0.66 -1.87 0.27 3.38 -1.25 -0.37 115.31 115.43 1i11 h LEU 64 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1i11 h LEU 64 Cb 0.45 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1i11 h LEU 64 CO 0.00 0.50 0.20 -0.33 0.09 0.00 0.00 178.44 178.90 1i11 h GLU 65 N 0.75 0.00 0.14 1.13 4.39 -1.67 -2.47 114.58 116.86 1i11 h GLU 65 Ca 0.20 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 1i11 h GLU 65 Cb -0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1i11 h GLU 65 CO -0.04 0.00 -0.07 0.87 -1.16 0.00 0.00 179.01 178.61 1i11 h LYS 66 N 0.00 -0.18 -1.25 2.33 1.57 -1.20 -3.45 116.57 114.39 1i11 h LYS 66 Ca 0.00 0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 1i11 h LYS 66 Cb 0.40 0.04 -0.22 0.00 0.08 0.00 0.00 32.23 32.53 1i11 h LYS 66 CO 0.00 -0.12 -0.53 1.52 -0.57 0.00 0.00 179.45 179.75 1i11 s TYR 67 N -2.12 -1.31 0.00 -1.35 -0.85 -0.95 -4.99 117.35 105.79 1i11 s TYR 67 Ca -0.03 -0.24 0.00 0.00 -0.52 0.00 0.00 57.07 56.28 1i11 s TYR 67 Cb 0.00 0.12 0.00 0.00 0.38 0.00 0.00 41.96 42.47 1i11 s TYR 67 CO 0.08 -1.14 0.01 -0.35 -1.52 0.00 0.00 175.55 172.63 1i11 n PRO 68 N 4.01 0.00 -0.41 -3.49 -0.04 -1.10 -4.47 135.00 129.50 1i11 n PRO 68 Ca 0.13 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.66 1i11 n PRO 68 Cb 0.54 -0.20 0.25 0.00 -0.04 0.00 0.00 33.50 34.05 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 -0.17 3.35 0.00 3.54 8.00 -1.26 -5.14 116.55 124.87 1i11 n ASP 69 Ca 0.00 -2.26 0.13 0.00 0.71 0.00 0.00 54.79 53.37 1i11 n ASP 69 Cb 0.00 -0.46 0.79 0.00 -0.02 0.00 0.00 41.12 41.43 1i11 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81