#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 3.36 0.49 0.54 -3.43 -1.26 -5.06 115.29 109.93 1i11 s HIS 2 Ca 0.00 -1.61 0.02 0.00 -0.80 0.00 0.00 55.06 52.68 1i11 s HIS 2 Cb 0.00 -3.09 -0.03 0.00 -1.43 0.00 0.00 32.58 28.03 1i11 s HIS 2 CO 0.00 -0.88 0.00 0.96 -2.00 0.00 0.00 174.74 172.82 1i11 s ILE 3 N 1.41 1.33 -1.20 -5.38 -4.36 -1.26 -5.04 121.20 106.70 1i11 s ILE 3 Ca 0.04 -2.00 -0.17 0.00 -0.26 0.00 0.00 60.65 58.25 1i11 s ILE 3 Cb -0.24 -2.33 0.10 0.00 1.25 0.00 0.00 42.46 41.24 1i11 s ILE 3 CO 0.01 0.00 1.55 -0.75 0.24 0.00 0.00 174.94 176.00 1i11 s LYS 4 N -3.84 3.93 0.06 0.37 2.20 -1.26 -4.78 119.74 116.42 1i11 s LYS 4 Ca 0.12 -2.04 -0.19 0.00 -0.36 0.00 0.00 55.97 53.50 1i11 s LYS 4 Cb 0.03 -5.32 -0.12 0.00 -1.51 0.00 0.00 37.83 30.91 1i11 s LYS 4 CO 0.06 -2.06 1.40 -0.09 -0.36 0.00 0.00 175.35 174.30 1i11 h ARG 5 N 7.86 0.40 -3.47 4.03 2.43 -2.00 -3.34 114.38 120.29 1i11 h ARG 5 Ca 0.35 -0.18 -0.68 0.00 -0.81 0.00 0.00 59.98 58.65 1i11 h ARG 5 Cb 0.90 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1i11 h ARG 5 CO 1.36 0.72 3.50 -0.35 -1.51 0.00 0.00 179.97 183.69 1i11 n PRO 6 N -4.56 3.27 -3.79 0.20 -0.04 -1.26 -4.83 135.00 123.98 1i11 n PRO 6 Ca -0.05 -2.36 -0.37 0.00 -0.04 0.00 0.00 63.50 60.68 1i11 n PRO 6 Cb 0.33 -3.01 -0.12 0.00 -0.04 0.00 0.00 33.50 30.66 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 2.68 2.35 -0.19 0.54 1.00 -1.25 -4.83 119.30 119.61 1i11 s MET 7 Ca 0.59 -1.45 -0.28 0.00 0.00 0.00 0.00 55.69 54.54 1i11 s MET 7 Cb 0.16 -3.45 0.11 0.00 0.00 0.00 0.00 34.83 31.65 1i11 s MET 7 CO -0.07 -0.82 0.95 -0.80 0.00 0.00 0.00 175.02 174.28 1i11 s ASN 8 N 1.59 -0.46 0.54 3.03 0.01 -1.26 -5.00 114.94 113.39 1i11 s ASN 8 Ca 0.01 0.65 0.25 0.00 -0.71 0.00 0.00 52.86 53.06 1i11 s ASN 8 Cb -0.21 0.58 1.51 0.00 0.41 0.00 0.00 41.25 43.53 1i11 s ASN 8 CO -0.01 -0.31 2.14 0.00 -1.51 0.00 0.00 177.10 177.41 1i11 h ALA 9 N 3.26 1.52 0.33 0.60 0.00 -1.84 0.23 119.26 123.36 1i11 h ALA 9 Ca -0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1i11 h ALA 9 Cb 1.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1i11 h ALA 9 CO 0.24 0.09 -0.16 0.35 0.00 0.00 0.00 179.25 179.78 1i11 h PHE 10 N 0.00 -0.41 0.00 0.00 3.57 -1.94 2.23 116.94 120.39 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 0.17 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1i11 h PHE 10 CO 0.00 -0.25 0.00 0.52 -2.23 0.00 0.00 178.31 176.35 1i11 h MET 11 N -0.80 0.00 0.06 1.11 2.86 -1.89 2.26 114.93 118.53 1i11 h MET 11 Ca -0.05 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.46 1i11 h MET 11 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1i11 h MET 11 CO 0.07 0.00 -0.67 0.28 1.06 0.00 0.00 176.91 177.65 1i11 h VAL 12 N 0.00 1.45 0.01 -2.22 2.07 -0.28 -2.62 116.25 114.66 1i11 h VAL 12 Ca 0.00 -2.39 -0.22 0.00 0.82 0.00 0.00 66.70 64.91 1i11 h VAL 12 Cb 0.10 3.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.89 1i11 h VAL 12 CO 0.00 0.62 -1.04 -0.25 0.02 0.00 0.00 177.57 176.91 1i11 h TRP 13 N -0.69 0.03 0.00 1.57 7.01 0.49 -3.21 115.95 121.15 1i11 h TRP 13 Ca -0.15 -0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.79 1i11 h TRP 13 Cb 1.37 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.42 1i11 h TRP 13 CO 0.20 1.02 -0.21 0.00 -2.79 0.00 0.00 178.44 176.65 1i11 h ALA 14 N 0.98 0.99 -0.07 2.65 0.00 0.36 0.33 119.26 124.49 1i11 h ALA 14 Ca -0.03 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1i11 h ALA 14 Cb 1.79 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 1i11 h ALA 14 CO 0.13 0.27 -0.26 0.87 0.00 0.00 0.00 179.25 180.26 1i11 h LYS 15 N 0.00 0.13 0.01 0.00 1.79 -1.46 1.94 116.57 118.99 1i11 h LYS 15 Ca -0.00 -0.04 -0.32 0.00 -2.18 0.00 0.00 60.65 58.11 1i11 h LYS 15 Cb 0.79 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.38 1i11 h LYS 15 CO 0.03 0.38 -1.91 -3.47 -1.08 0.00 0.00 179.45 173.41 1i11 n ASP 16 N -4.19 0.86 -0.00 0.86 -0.08 -1.07 -2.36 116.55 110.57 1i11 n ASP 16 Ca -0.01 0.29 -0.09 0.00 -1.51 0.00 0.00 54.79 53.47 1i11 n ASP 16 Cb 0.34 0.06 0.07 0.00 2.34 0.00 0.00 41.12 43.94 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 0.56 -0.04 -0.67 4.39 -0.48 1.71 114.58 120.06 1i11 h GLU 17 Ca -0.36 -0.32 -0.22 0.00 0.34 0.00 0.00 59.36 58.79 1i11 h GLU 17 Cb 2.06 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.74 1i11 h GLU 17 CO 0.06 0.92 -0.88 0.07 -1.16 0.00 0.00 179.01 178.03 1i11 h ARG 18 N 0.44 0.49 -0.45 2.33 -0.00 0.30 0.86 114.38 118.35 1i11 h ARG 18 Ca 0.02 -0.47 -0.13 0.00 -0.00 0.00 0.00 59.98 59.40 1i11 h ARG 18 Cb 1.02 0.12 -0.01 0.00 -0.00 0.00 0.00 29.97 31.10 1i11 h ARG 18 CO 0.09 1.11 -0.23 0.00 -0.00 0.00 0.00 179.97 180.95 1i11 h ARG 19 N 0.30 0.93 0.00 0.08 3.08 -1.19 2.05 114.38 119.63 1i11 h ARG 19 Ca -0.07 -0.40 -0.04 0.00 0.07 0.00 0.00 59.98 59.54 1i11 h ARG 19 Cb 1.50 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.51 1i11 h ARG 19 CO 0.16 1.05 -0.20 -0.22 -1.07 0.00 0.00 179.97 179.70 1i11 h LYS 20 N 0.80 0.00 0.03 0.04 3.11 0.29 -2.92 116.57 117.91 1i11 h LYS 20 Ca 0.10 0.00 -0.38 0.00 -2.81 0.00 0.00 60.65 57.56 1i11 h LYS 20 Cb 0.79 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.97 1i11 h LYS 20 CO 0.07 0.20 -2.21 -0.89 -2.81 0.00 0.00 179.45 173.80 1i11 n ILE 21 N -3.32 1.57 -0.15 2.00 -0.00 0.30 -4.04 119.36 115.71 1i11 n ILE 21 Ca 0.01 -0.44 0.25 0.00 -0.00 0.00 0.00 62.75 62.56 1i11 n ILE 21 Cb 0.43 -1.72 0.68 0.00 -0.00 0.00 0.00 39.64 39.04 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 -0.45 0.07 -0.74 1.39 5.85 0.32 1.52 115.31 123.28 1i11 h LEU 22 Ca -0.55 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.11 1i11 h LEU 22 Cb 1.75 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.74 1i11 h LEU 22 CO -0.18 0.03 0.17 0.06 -0.34 0.00 0.00 178.44 178.18 1i11 h GLN 23 N 0.06 1.13 0.00 1.25 3.07 -1.67 1.93 115.11 120.88 1i11 h GLN 23 Ca 0.39 -0.27 0.00 0.00 0.09 0.00 0.00 58.65 58.86 1i11 h GLN 23 Cb 1.47 -0.15 0.00 0.00 0.08 0.00 0.00 27.48 28.88 1i11 h GLN 23 CO -0.03 0.99 -0.11 0.00 0.09 0.00 0.00 178.83 179.77 1i11 h ALA 24 N 1.11 0.93 -1.28 0.06 0.00 0.14 -3.37 119.26 116.86 1i11 h ALA 24 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.71 1i11 h ALA 24 Cb 0.37 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.87 1i11 h ALA 24 CO 0.00 0.00 -0.85 1.19 0.00 0.00 0.00 179.25 179.59 1i11 n PHE 25 N -2.60 -1.63 0.57 0.00 3.72 0.40 -4.94 117.46 112.97 1i11 n PHE 25 Ca 0.04 -2.80 0.06 0.00 -0.05 0.00 0.00 57.45 54.70 1i11 n PHE 25 Cb 0.48 0.46 0.30 0.00 -0.94 0.00 0.00 39.48 39.78 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 1.67 0.17 -0.06 -1.08 -0.04 0.64 -1.47 135.00 134.83 1i11 n PRO 26 Ca 0.17 0.17 -0.15 0.00 -0.04 0.00 0.00 63.50 63.65 1i11 n PRO 26 Cb 0.56 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.28 1.39 -4.56 3.54 -0.08 -1.26 -4.66 116.55 109.63 1i11 n ASP 27 Ca 0.06 0.10 -0.17 0.00 -1.51 0.00 0.00 54.79 53.27 1i11 n ASP 27 Cb 0.09 -0.18 -0.06 0.00 2.34 0.00 0.00 41.12 43.31 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 -2.54 1.83 0.95 -0.67 1.75 -0.54 -4.90 119.30 115.18 1i11 s MET 28 Ca -0.20 0.31 -0.15 0.00 -1.25 0.00 0.00 55.69 54.40 1i11 s MET 28 Cb 0.07 -4.85 0.17 0.00 2.84 0.00 0.00 34.83 33.07 1i11 s MET 28 CO 0.74 -4.19 1.23 -3.38 -0.65 0.00 0.00 175.02 168.77 1i11 s HIS 29 N 13.65 1.96 0.00 4.11 -3.43 -1.26 -4.25 115.29 126.06 1i11 s HIS 29 Ca 0.87 0.55 0.00 0.00 -0.80 0.00 0.00 55.06 55.68 1i11 s HIS 29 Cb -0.11 -3.75 0.00 0.00 -1.43 0.00 0.00 32.58 27.29 1i11 s HIS 29 CO 0.06 -2.54 0.69 0.27 -2.00 0.00 0.00 174.74 171.22 1i11 n ASN 30 N -3.78 0.00 -0.37 7.38 0.23 -1.26 0.38 115.26 117.83 1i11 n ASN 30 Ca 0.12 0.69 0.33 0.00 -0.53 0.00 0.00 54.58 55.19 1i11 n ASN 30 Cb 0.60 -0.26 0.51 0.00 -2.08 0.00 0.00 39.78 38.55 1i11 n ASN 30 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1i11 n SER 31 N -2.07 0.00 -0.14 0.53 7.64 -1.26 -0.12 113.62 118.21 1i11 n SER 31 Ca 0.00 0.71 -0.30 0.00 1.01 0.00 0.00 58.87 60.30 1i11 n SER 31 Cb 0.00 -0.30 -0.10 0.00 -1.01 0.00 0.00 64.21 62.79 1i11 n SER 31 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1i11 n ASN 32 N -3.21 1.96 0.10 6.43 2.85 0.13 -4.29 115.26 119.22 1i11 n ASN 32 Ca 0.27 0.34 0.19 0.00 -0.11 0.00 0.00 54.58 55.27 1i11 n ASN 32 Cb 1.45 -0.82 0.75 0.00 1.24 0.00 0.00 39.78 42.39 1i11 n ASN 32 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1i11 h ILE 33 N -0.99 0.57 -0.31 -1.44 1.08 0.24 -0.97 117.51 115.70 1i11 h ILE 33 Ca -0.69 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 63.83 1i11 h ILE 33 Cb 1.61 0.76 -0.05 0.00 -3.07 0.00 0.00 36.82 36.07 1i11 h ILE 33 CO -0.42 0.00 0.01 0.28 -0.69 0.00 0.00 178.15 177.34 1i11 h SER 34 N 0.00 -0.09 0.65 1.72 0.02 -0.71 0.94 113.55 116.08 1i11 h SER 34 Ca 0.17 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.13 1i11 h SER 34 Cb 0.81 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 1i11 h SER 34 CO -0.00 -0.01 -0.26 0.11 -1.14 0.00 0.00 176.83 175.53 1i11 h LYS 35 N 0.11 0.00 0.16 3.45 1.79 -1.39 -1.13 116.57 119.56 1i11 h LYS 35 Ca 0.15 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 1i11 h LYS 35 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1i11 h LYS 35 CO -0.23 0.26 -0.07 0.82 -1.08 0.00 0.00 179.45 179.14 1i11 h ILE 36 N 0.00 0.97 0.78 1.86 5.03 -0.33 -1.62 117.51 124.20 1i11 h ILE 36 Ca -0.00 -0.98 -0.03 0.00 -0.12 0.00 0.00 64.86 63.73 1i11 h ILE 36 Cb 0.65 1.53 -0.00 0.00 -3.03 0.00 0.00 36.82 35.97 1i11 h ILE 36 CO 0.03 0.21 -0.48 -0.07 -0.68 0.00 0.00 178.15 177.16 1i11 h LEU 37 N -0.71 -1.22 -1.08 1.44 3.38 0.96 1.21 115.31 119.29 1i11 h LEU 37 Ca -0.02 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1i11 h LEU 37 Cb 0.51 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1i11 h LEU 37 CO 0.04 -0.74 0.12 0.61 0.09 0.00 0.00 178.44 178.56 1i11 n GLY 38 N -1.61 -0.73 0.01 0.83 0.00 -0.44 0.23 105.19 103.47 1i11 n GLY 38 Ca -0.14 0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1i11 n GLY 38 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i11 n SER 39 N -2.09 0.48 0.00 1.61 3.41 -0.38 -3.21 113.62 113.44 1i11 n SER 39 Ca -0.01 -0.21 -0.10 0.00 -0.26 0.00 0.00 58.87 58.29 1i11 n SER 39 Cb 0.14 1.73 -0.14 0.00 -0.26 0.00 0.00 64.21 65.68 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 0.03 0.70 4.33 2.47 1.09 -3.07 114.38 119.93 1i11 h ARG 40 Ca 0.00 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.63 1i11 h ARG 40 Cb 0.83 0.02 0.01 0.00 -1.65 0.00 0.00 29.97 29.18 1i11 h ARG 40 CO 0.00 0.68 -0.33 2.35 0.56 0.00 0.00 179.97 183.22 1i11 h TRP 41 N 0.01 -0.87 0.00 3.04 2.91 0.27 -1.83 115.95 119.48 1i11 h TRP 41 Ca -0.24 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.76 1i11 h TRP 41 Cb 1.97 0.29 0.00 0.00 -0.51 0.00 0.00 29.16 30.91 1i11 h TRP 41 CO 0.01 -0.54 0.00 0.87 -1.03 0.00 0.00 178.44 177.75 1i11 h LYS 42 N -1.25 0.00 -0.11 2.65 1.57 -1.71 0.41 116.57 118.13 1i11 h LYS 42 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1i11 h LYS 42 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1i11 h LYS 42 CO 0.16 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.04 1i11 n ALA 43 N -1.89 2.54 -1.05 3.86 0.00 -0.89 -4.84 120.51 118.25 1i11 n ALA 43 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1i11 n ALA 43 Cb 0.05 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 0.29 2.78 -0.79 0.00 0.00 0.14 -5.00 117.12 114.54 1i11 n MET 44 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 57.70 57.88 1i11 n MET 44 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.57 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 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1i11 n THR 45 Cb 0.00 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 0.13 0.00 -0.05 3.42 3.02 -1.26 -4.05 115.26 116.47 1i11 n ASN 46 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.56 1i11 n ASN 46 Cb 0.79 0.00 0.32 0.00 -0.61 0.00 0.00 39.78 40.28 1i11 n ASN 46 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1i11 h LEU 47 N 0.00 0.58 -0.95 3.41 6.46 -2.02 -0.55 115.31 122.25 1i11 h LEU 47 Ca 0.00 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 1i11 h LEU 47 Cb 0.00 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.78 1i11 h LEU 47 CO 0.00 0.53 0.00 -0.08 -0.62 0.00 0.00 178.44 178.27 1i11 h GLU 48 N 0.65 0.00 -0.00 1.25 4.57 -1.97 -2.09 114.58 116.98 1i11 h GLU 48 Ca 0.16 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1i11 h GLU 48 Cb 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1i11 h GLU 48 CO -0.02 0.00 -0.22 1.17 -1.18 0.00 0.00 179.01 178.77 1i11 n LYS 49 N -2.59 0.27 -0.09 1.92 0.00 -0.22 -4.08 118.16 113.37 1i11 n LYS 49 Ca 0.02 -0.10 -0.09 0.00 0.00 0.00 0.00 58.31 58.13 1i11 n LYS 49 Cb 0.28 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 33.79 1i11 n LYS 49 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1i11 h GLN 50 N 0.25 0.40 0.00 1.64 4.15 -1.30 -2.46 115.11 117.79 1i11 h GLN 50 Ca 0.00 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 1i11 h GLN 50 Cb 0.45 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 1i11 h GLN 50 CO 0.00 0.29 -0.39 -1.00 -1.93 0.00 0.00 178.83 175.80 1i11 h PRO 51 N 0.40 0.00 -0.00 -2.39 0.13 -1.77 -2.40 132.00 125.95 1i11 h PRO 51 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1i11 h PRO 51 Cb -0.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.11 1i11 h PRO 51 CO -0.02 0.39 -0.00 0.66 -0.23 0.00 0.00 178.00 178.80 1i11 n TYR 52 N -3.39 0.00 -0.07 1.56 4.01 -1.08 -3.75 117.16 114.43 1i11 n TYR 52 Ca 0.01 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.64 1i11 n TYR 52 Cb 0.57 -0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.52 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 0.70 0.00 -0.40 -0.72 5.03 -0.96 -3.30 116.97 117.32 1i11 h TYR 53 Ca 0.00 0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.36 1i11 h TYR 53 Cb 0.15 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.41 1i11 h TYR 53 CO 0.00 0.71 0.27 1.05 -1.32 0.00 0.00 178.16 178.87 1i11 h GLU 54 N -1.00 0.32 -0.06 1.82 -0.00 -1.65 0.55 114.58 114.56 1i11 h GLU 54 Ca -0.06 -0.02 0.02 0.00 -0.00 0.00 0.00 59.36 59.30 1i11 h GLU 54 Cb 0.73 -0.07 -0.00 0.00 -0.00 0.00 0.00 28.75 29.41 1i11 h GLU 54 CO -0.04 0.21 0.24 0.93 -0.00 0.00 0.00 179.01 180.35 1i11 h GLU 55 N 0.33 0.00 0.00 1.06 4.39 -1.67 0.14 114.58 118.83 1i11 h GLU 55 Ca 0.17 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.77 1i11 h GLU 55 Cb 0.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1i11 h GLU 55 CO -0.04 0.00 -0.54 -0.56 -1.16 0.00 0.00 179.01 176.71 1i11 h GLN 56 N 0.00 0.00 -0.44 2.33 3.07 -1.03 -3.10 115.11 115.94 1i11 h GLN 56 Ca 0.03 -0.00 0.06 0.00 0.09 0.00 0.00 58.65 58.83 1i11 h GLN 56 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.04 1i11 h GLN 56 CO -0.00 1.00 0.30 0.00 0.09 0.00 0.00 178.83 180.22 1i11 h ALA 57 N -0.21 1.95 0.04 0.06 0.00 -1.12 0.91 119.26 120.90 1i11 h ALA 57 Ca -0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1i11 h ALA 57 Cb 1.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1i11 h ALA 57 CO -0.09 -0.03 -0.02 0.07 0.00 0.00 0.00 179.25 179.18 1i11 h ARG 58 N 0.36 -0.05 0.00 0.00 0.11 -0.90 -0.19 114.38 113.71 1i11 h ARG 58 Ca 0.19 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.23 1i11 h ARG 58 Cb 0.30 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.39 1i11 h ARG 58 CO -0.05 0.44 -0.20 1.37 0.10 0.00 0.00 179.97 181.64 1i11 h LEU 59 N -0.58 0.00 -0.22 0.08 8.10 -1.36 -2.25 115.31 119.09 1i11 h LEU 59 Ca -0.01 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.87 1i11 h LEU 59 Cb 0.52 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.72 1i11 h LEU 59 CO 0.01 0.20 -0.56 -1.28 -4.11 0.00 0.00 178.44 172.70 1i11 h SER 60 N 0.00 0.00 -0.45 0.17 0.87 0.97 -2.94 113.55 112.17 1i11 h SER 60 Ca -0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 1i11 h SER 60 Cb 0.67 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1i11 h SER 60 CO 0.03 0.56 -0.14 0.50 -0.53 0.00 0.00 176.83 177.25 1i11 h LYS 61 N 0.00 0.89 -0.15 2.24 3.11 -0.41 -2.58 116.57 119.67 1i11 h LYS 61 Ca -0.01 -0.36 -0.08 0.00 -2.81 0.00 0.00 60.65 57.40 1i11 h LYS 61 Cb 1.34 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.52 1i11 h LYS 61 CO 0.07 1.00 -0.25 1.96 -2.81 0.00 0.00 179.45 179.42 1i11 h GLN 62 N 0.73 0.28 0.00 1.90 4.20 -1.50 -2.05 115.11 118.67 1i11 h GLN 62 Ca 0.11 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1i11 h GLN 62 Cb 0.70 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1i11 h GLN 62 CO 0.05 0.52 0.00 1.58 -0.67 0.00 0.00 178.83 180.31 1i11 n HIS 63 N -4.15 0.00 -0.30 2.96 -0.00 -0.98 -1.06 115.22 111.68 1i11 n HIS 63 Ca -0.01 0.00 0.25 0.00 0.46 0.00 0.00 57.72 58.42 1i11 n HIS 63 Cb 0.37 -0.27 0.56 0.00 -0.12 0.00 0.00 29.99 30.53 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 0.34 0.00 0.27 4.07 -1.59 1.88 115.31 120.29 1i11 h LEU 64 Ca 0.00 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1i11 h LEU 64 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1i11 h LEU 64 CO 0.00 0.08 0.00 -0.62 -1.08 0.00 0.00 178.44 176.82 1i11 n GLU 65 N -4.52 0.02 -0.11 1.13 1.02 -0.77 0.17 120.64 117.57 1i11 n GLU 65 Ca 0.24 0.32 -0.14 0.00 -0.02 0.00 0.00 57.16 57.57 1i11 n GLU 65 Cb 0.92 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.70 1i11 n GLU 65 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1i11 n LYS 66 N -1.48 0.68 -0.00 3.49 4.76 0.64 -4.17 118.16 122.08 1i11 n LYS 66 Ca 0.03 0.06 -0.01 0.00 -2.87 0.00 0.00 58.31 55.52 1i11 n LYS 66 Cb 0.11 -1.52 -0.00 0.00 -1.84 0.00 0.00 35.03 31.78 1i11 n LYS 66 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1i11 n TYR 67 N -2.98 0.00 0.04 2.13 4.02 -1.05 -4.78 117.16 114.55 1i11 n TYR 67 Ca -0.39 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.48 1i11 n TYR 67 Cb 1.08 -0.06 -0.01 0.00 -0.02 0.00 0.00 39.34 40.33 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 -0.12 -0.14 -3.40 -0.72 0.13 -1.71 -3.34 132.00 122.71 1i11 h PRO 68 Ca 0.00 0.01 -0.52 0.00 -0.87 0.00 0.00 66.00 64.62 1i11 h PRO 68 Cb 0.12 0.03 0.02 0.00 0.13 0.00 0.00 31.00 31.30 1i11 h PRO 68 CO 0.00 -0.09 3.06 -3.47 -0.23 0.00 0.00 178.00 177.27 1i11 n ASP 69 N -3.09 6.04 0.00 1.44 -0.08 0.45 -4.96 116.55 116.35 1i11 n ASP 69 Ca -0.02 -2.47 0.00 0.00 -1.51 0.00 0.00 54.79 50.79 1i11 n ASP 69 Cb 0.06 -1.30 0.00 0.00 2.34 0.00 0.00 41.12 42.22 1i11 n ASP 69 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32