#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 0.58 -2.69 0.54 -0.00 -1.26 -4.99 115.22 107.41 1i11 n HIS 2 Ca 0.00 -2.59 -0.42 0.00 0.46 0.00 0.00 57.72 55.16 1i11 n HIS 2 Cb 0.00 -0.05 0.01 0.00 -0.12 0.00 0.00 29.99 29.83 1i11 n HIS 2 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1i11 n ILE 3 N -0.21 5.11 -1.16 3.57 5.41 -1.26 -4.80 119.36 126.03 1i11 n ILE 3 Ca 0.07 -5.36 -0.21 0.00 1.00 0.00 0.00 62.75 58.25 1i11 n ILE 3 Cb 0.82 -2.11 -0.01 0.00 -0.71 0.00 0.00 39.64 37.63 1i11 n ILE 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1i11 n LYS 4 N 1.99 2.07 -0.02 0.38 4.81 -1.26 -4.34 118.16 121.80 1i11 n LYS 4 Ca 0.35 -1.88 -0.06 0.00 -0.87 0.00 0.00 58.31 55.84 1i11 n LYS 4 Cb 0.33 -1.86 -0.13 0.00 0.02 0.00 0.00 35.03 33.38 1i11 n LYS 4 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1i11 n ARG 5 N 0.67 0.64 -1.43 1.64 1.85 -1.26 -4.55 116.66 114.21 1i11 n ARG 5 Ca 0.39 0.22 -0.40 0.00 -1.00 0.00 0.00 57.85 57.06 1i11 n ARG 5 Cb 0.58 -1.75 -0.02 0.00 -1.05 0.00 0.00 32.46 30.23 1i11 n ARG 5 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1i11 n PRO 6 N -2.94 2.73 -3.52 2.89 -0.04 -1.26 -4.89 135.00 127.97 1i11 n PRO 6 Ca -0.18 -2.26 -0.23 0.00 -0.04 0.00 0.00 63.50 60.80 1i11 n PRO 6 Cb 1.01 -3.03 0.01 0.00 -0.04 0.00 0.00 33.50 31.46 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 3.30 2.36 0.00 0.54 -1.94 -1.26 -4.94 119.30 117.36 1i11 s MET 7 Ca 0.54 -1.76 0.00 0.00 -1.71 0.00 0.00 55.69 52.75 1i11 s MET 7 Cb 0.15 -2.36 0.00 0.00 2.01 0.00 0.00 34.83 34.63 1i11 s MET 7 CO -0.04 -0.58 0.00 -1.71 -0.01 0.00 0.00 175.02 172.68 1i11 n ASN 8 N -1.86 0.00 -0.19 3.03 5.15 -1.26 -4.90 115.26 115.23 1i11 n ASN 8 Ca 0.05 0.00 0.23 0.00 -0.60 0.00 0.00 54.58 54.26 1i11 n ASN 8 Cb 0.63 0.00 0.62 0.00 -0.53 0.00 0.00 39.78 40.49 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 0.00 2.50 0.29 5.20 0.00 -1.83 2.21 119.26 127.63 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 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1i11 h ALA 9 CO 0.00 -0.76 -0.14 0.35 0.00 0.00 0.00 179.25 178.70 1i11 h PHE 10 N 0.20 -0.36 0.00 0.00 3.57 -1.92 2.13 116.94 120.56 1i11 h PHE 10 Ca 0.43 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.92 1i11 h PHE 10 Cb 1.38 0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.24 1i11 h PHE 10 CO -0.00 -0.22 0.00 0.52 -2.23 0.00 0.00 178.31 176.37 1i11 h MET 11 N -0.72 0.00 0.07 1.11 2.86 -1.74 2.40 114.93 118.91 1i11 h MET 11 Ca -0.04 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.45 1i11 h MET 11 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1i11 h MET 11 CO 0.07 0.00 -0.71 0.28 1.06 0.00 0.00 176.91 177.61 1i11 h VAL 12 N 0.00 1.45 0.07 -2.22 2.07 0.39 -2.18 116.25 115.82 1i11 h VAL 12 Ca 0.00 -2.40 -0.25 0.00 0.82 0.00 0.00 66.70 64.87 1i11 h VAL 12 Cb 0.10 3.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 1i11 h VAL 12 CO 0.00 0.63 -1.14 -0.25 0.02 0.00 0.00 177.57 176.82 1i11 h TRP 13 N -0.65 0.26 0.00 1.57 7.01 0.48 -3.13 115.95 121.48 1i11 h TRP 13 Ca -0.15 -0.19 0.00 0.00 2.11 0.00 0.00 58.89 60.66 1i11 h TRP 13 Cb 1.41 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.46 1i11 h TRP 13 CO 0.20 1.15 0.00 0.00 -2.79 0.00 0.00 178.44 177.00 1i11 h ALA 14 N 0.78 1.00 0.00 2.65 0.00 0.39 0.17 119.26 124.24 1i11 h ALA 14 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1i11 h ALA 14 Cb 1.88 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1i11 h ALA 14 CO 0.17 0.00 -0.39 1.57 0.00 0.00 0.00 179.25 180.60 1i11 h LYS 15 N 0.00 0.00 0.10 0.00 5.09 -1.33 1.48 116.57 121.91 1i11 h LYS 15 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 60.65 60.41 1i11 h LYS 15 Cb 0.62 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.93 1i11 h LYS 15 CO 0.00 0.39 -1.77 0.38 -2.09 0.00 0.00 179.45 176.36 1i11 h ASP 16 N 0.00 0.32 -0.33 7.07 2.03 -1.56 -2.77 116.42 121.18 1i11 h ASP 16 Ca -0.00 -0.84 0.03 0.00 -0.73 0.00 0.00 57.03 55.48 1i11 h ASP 16 Cb 0.72 -0.10 -0.02 0.00 -0.83 0.00 0.00 39.33 39.10 1i11 h ASP 16 CO 0.05 1.76 0.22 -0.33 -1.03 0.00 0.00 179.24 179.91 1i11 h GLU 17 N -0.21 0.34 -0.32 4.15 4.39 -0.73 2.46 114.58 124.66 1i11 h GLU 17 Ca -0.40 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.24 1i11 h GLU 17 Cb 1.84 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.40 1i11 h GLU 17 CO 0.02 0.23 0.01 0.00 -1.16 0.00 0.00 179.01 178.11 1i11 h ARG 18 N 0.35 0.56 -0.34 2.33 2.47 0.20 0.92 114.38 120.87 1i11 h ARG 18 Ca 0.14 -0.17 -0.12 0.00 -1.26 0.00 0.00 59.98 58.56 1i11 h ARG 18 Cb 0.10 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 1i11 h ARG 18 CO -0.03 0.68 -0.29 0.07 0.56 0.00 0.00 179.97 180.95 1i11 h ARG 19 N 0.37 0.72 0.00 0.04 -0.00 -0.36 2.22 114.38 117.37 1i11 h ARG 19 Ca 0.09 -0.32 -0.08 0.00 -0.00 0.00 0.00 59.98 59.68 1i11 h ARG 19 Cb 0.42 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 30.36 1i11 h ARG 19 CO 0.01 0.93 -0.36 0.87 -0.00 0.00 0.00 179.97 181.42 1i11 h LYS 20 N 0.62 0.00 0.02 0.08 1.57 0.46 -2.93 116.57 116.39 1i11 h LYS 20 Ca 0.07 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.46 1i11 h LYS 20 Cb 0.81 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.06 1i11 h LYS 20 CO 0.07 0.36 -2.24 -0.89 -0.57 0.00 0.00 179.45 176.18 1i11 n ILE 21 N -3.53 1.55 -0.24 1.86 -0.00 0.31 -4.04 119.36 115.28 1i11 n ILE 21 Ca -0.00 -0.41 0.29 0.00 -0.00 0.00 0.00 62.75 62.62 1i11 n ILE 21 Cb 0.50 -1.76 0.69 0.00 -0.00 0.00 0.00 39.64 39.07 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 -0.59 0.09 -0.88 1.39 5.85 0.36 2.64 115.31 124.18 1i11 h LEU 22 Ca -0.58 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.09 1i11 h LEU 22 Cb 1.70 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.70 1i11 h LEU 22 CO -0.23 0.03 0.11 0.06 -0.34 0.00 0.00 178.44 178.06 1i11 h GLN 23 N 0.09 0.94 0.00 1.25 3.07 -1.68 1.16 115.11 119.94 1i11 h GLN 23 Ca 0.48 -0.22 0.00 0.00 0.09 0.00 0.00 58.65 59.00 1i11 h GLN 23 Cb 1.77 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 29.21 1i11 h GLN 23 CO -0.06 0.86 -0.28 0.00 0.09 0.00 0.00 178.83 179.45 1i11 h ALA 24 N 1.22 0.82 -1.15 0.06 0.00 0.37 -3.39 119.26 117.20 1i11 h ALA 24 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.77 1i11 h ALA 24 Cb 0.37 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.93 1i11 h ALA 24 CO 0.01 0.00 -0.69 1.19 0.00 0.00 0.00 179.25 179.75 1i11 n PHE 25 N -2.32 -2.55 0.42 0.00 3.01 0.49 -4.96 117.46 111.55 1i11 n PHE 25 Ca 0.04 -2.23 0.05 0.00 1.01 0.00 0.00 57.45 56.32 1i11 n PHE 25 Cb 0.45 0.96 0.23 0.00 -0.01 0.00 0.00 39.48 41.12 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 2.29 0.10 -0.09 -1.08 -0.04 0.38 -1.71 135.00 134.85 1i11 n PRO 26 Ca 0.18 0.23 -0.10 0.00 -0.04 0.00 0.00 63.50 63.78 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 -1.34 0.84 -4.56 3.54 2.03 -1.26 -4.75 116.55 111.05 1i11 n ASP 27 Ca 0.04 -0.02 -0.17 0.00 0.52 0.00 0.00 54.79 55.16 1i11 n ASP 27 Cb 0.09 0.77 -0.06 0.00 -0.72 0.00 0.00 41.12 41.19 1i11 n ASP 27 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 1i11 s MET 28 N -2.43 1.88 0.00 -0.67 1.75 -0.69 -4.89 119.30 114.25 1i11 s MET 28 Ca -0.11 0.24 0.00 0.00 -1.25 0.00 0.00 55.69 54.56 1i11 s MET 28 Cb 0.06 -4.87 0.00 0.00 2.84 0.00 0.00 34.83 32.85 1i11 s MET 28 CO 0.70 -4.15 0.00 -2.39 -0.65 0.00 0.00 175.02 168.53 1i11 n HIS 29 N 17.28 -1.73 0.44 4.11 1.44 -1.26 -4.29 115.22 131.22 1i11 n HIS 29 Ca 0.45 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.96 1i11 n HIS 29 Cb 0.44 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.46 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 -0.09 -1.18 -0.92 4.39 4.21 -1.96 0.73 115.58 120.76 1i11 h ASN 30 Ca 0.00 0.06 0.27 0.00 1.21 0.00 0.00 56.30 57.84 1i11 h ASN 30 Cb 0.00 0.34 -0.04 0.00 -1.12 0.00 0.00 38.32 37.50 1i11 h ASN 30 CO 0.00 -0.74 1.11 0.77 -1.29 0.00 0.00 177.43 177.28 1i11 h SER 31 N -1.19 0.00 0.00 5.81 4.64 -1.98 0.48 113.55 121.30 1i11 h SER 31 Ca -0.11 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.95 1i11 h SER 31 Cb 0.95 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.00 1i11 h SER 31 CO 0.13 0.00 -1.83 0.59 -0.87 0.00 0.00 176.83 174.84 1i11 n ASN 32 N -3.28 1.32 0.22 4.97 3.02 -0.81 -4.42 115.26 116.28 1i11 n ASN 32 Ca 0.21 0.23 0.17 0.00 -0.03 0.00 0.00 54.58 55.15 1i11 n ASN 32 Cb 1.40 -0.54 0.73 0.00 -0.61 0.00 0.00 39.78 40.76 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 -0.65 0.15 -0.30 2.41 1.08 0.11 -0.65 117.51 119.66 1i11 h ILE 33 Ca -0.40 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.12 1i11 h ILE 33 Cb 1.30 0.60 -0.04 0.00 -3.07 0.00 0.00 36.82 35.61 1i11 h ILE 33 CO -0.24 0.00 0.02 0.28 -0.69 0.00 0.00 178.15 177.52 1i11 h SER 34 N 0.00 -0.07 0.93 1.72 0.02 -1.12 1.53 113.55 116.56 1i11 h SER 34 Ca 0.09 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 1i11 h SER 34 Cb 0.97 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 1i11 h SER 34 CO -0.00 -0.00 -0.27 0.07 -1.14 0.00 0.00 176.83 175.48 1i11 h LYS 35 N 0.11 0.00 0.11 3.45 2.10 -1.37 0.72 116.57 121.69 1i11 h LYS 35 Ca 0.14 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.79 1i11 h LYS 35 Cb 0.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 1i11 h LYS 35 CO -0.22 0.27 -0.06 0.82 -2.00 0.00 0.00 179.45 178.27 1i11 h ILE 36 N 0.00 1.04 0.88 0.07 5.03 -0.78 -1.56 117.51 122.19 1i11 h ILE 36 Ca -0.00 -1.23 -0.04 0.00 -0.12 0.00 0.00 64.86 63.47 1i11 h ILE 36 Cb 0.81 1.75 0.01 0.00 -3.03 0.00 0.00 36.82 36.36 1i11 h ILE 36 CO 0.04 0.27 -0.42 -0.07 -0.68 0.00 0.00 178.15 177.28 1i11 h LEU 37 N -0.79 -1.00 -0.95 1.44 3.38 0.22 0.92 115.31 118.53 1i11 h LEU 37 Ca -0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1i11 h LEU 37 Cb 0.56 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1i11 h LEU 37 CO 0.03 -0.68 0.06 0.61 0.09 0.00 0.00 178.44 178.54 1i11 n GLY 38 N -1.38 -0.71 0.01 0.83 0.00 0.23 0.25 105.19 104.42 1i11 n GLY 38 Ca -0.15 0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.00 0.78 0.03 1.61 3.41 -0.59 -3.18 113.62 113.68 1i11 n SER 39 Ca -0.01 -0.28 -0.02 0.00 -0.26 0.00 0.00 58.87 58.30 1i11 n SER 39 Cb 0.08 1.59 -0.09 0.00 -0.26 0.00 0.00 64.21 65.53 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 0.00 0.38 4.33 2.47 0.84 -3.15 114.38 119.26 1i11 h ARG 40 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 1i11 h ARG 40 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 1i11 h ARG 40 CO 0.00 0.35 -0.18 2.35 0.56 0.00 0.00 179.97 183.05 1i11 h TRP 41 N 0.00 -0.48 0.00 3.04 2.91 0.32 -2.96 115.95 118.79 1i11 h TRP 41 Ca -0.17 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.84 1i11 h TRP 41 Cb 1.65 0.16 0.00 0.00 -0.51 0.00 0.00 29.16 30.46 1i11 h TRP 41 CO 0.00 -0.30 0.00 1.63 -1.03 0.00 0.00 178.44 178.74 1i11 n LYS 42 N -4.52 0.13 -0.11 2.65 5.02 -1.19 0.11 118.16 120.25 1i11 n LYS 42 Ca -0.06 0.63 0.04 0.00 -2.02 0.00 0.00 58.31 56.90 1i11 n LYS 42 Cb 0.20 -1.93 0.13 0.00 -0.02 0.00 0.00 35.03 33.41 1i11 n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i11 n ALA 43 N -1.76 2.47 -1.57 7.82 0.00 -1.12 -4.79 120.51 121.56 1i11 n ALA 43 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1i11 n ALA 43 Cb 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 0.16 2.12 -1.07 0.00 0.00 0.12 -5.01 117.12 113.44 1i11 n MET 44 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.79 1i11 n MET 44 Cb 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 33.22 33.42 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 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1i11 n THR 45 Cb 0.00 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 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 0.23 0.00 -0.26 3.42 4.13 -1.26 -4.09 115.26 117.44 1i11 n ASN 46 Ca -0.03 0.00 0.01 0.00 1.68 0.00 0.00 54.58 56.24 1i11 n ASN 46 Cb 0.89 0.00 0.23 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 0.91 -0.47 3.41 6.46 -2.02 0.15 115.31 123.75 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 0.64 0.00 1.21 -0.62 0.00 0.00 178.44 179.67 1i11 n GLU 48 N -4.43 0.13 0.12 1.25 4.07 -1.26 -1.94 120.64 118.58 1i11 n GLU 48 Ca 0.10 0.37 0.12 0.00 -0.06 0.00 0.00 57.16 57.69 1i11 n GLU 48 Cb 0.07 -1.75 0.14 0.00 -0.06 0.00 0.00 31.44 29.85 1i11 n GLU 48 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1i11 h LYS 49 N 0.00 0.00 -0.76 5.31 3.11 -1.02 -3.35 116.57 119.86 1i11 h LYS 49 Ca 0.00 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.86 1i11 h LYS 49 Cb 0.32 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.51 1i11 h LYS 49 CO 0.00 0.00 0.49 1.96 -2.81 0.00 0.00 179.45 179.09 1i11 h GLN 50 N 0.00 0.97 -0.07 1.90 4.20 -1.26 -1.95 115.11 118.89 1i11 h GLN 50 Ca 0.00 -0.06 -0.22 0.00 0.06 0.00 0.00 58.65 58.43 1i11 h GLN 50 Cb 0.90 -0.22 0.01 0.00 0.30 0.00 0.00 27.48 28.47 1i11 h GLN 50 CO 0.00 0.64 -0.86 -1.00 -0.67 0.00 0.00 178.83 176.94 1i11 h PRO 51 N 1.00 0.59 0.00 1.46 0.13 -1.75 -2.53 132.00 130.90 1i11 h PRO 51 Ca 0.29 -0.55 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1i11 h PRO 51 Cb -0.07 0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.19 1i11 h PRO 51 CO -0.08 1.17 0.00 0.66 -0.23 0.00 0.00 178.00 179.52 1i11 n TYR 52 N -3.85 0.00 -0.01 1.56 4.01 -1.13 -2.41 117.16 115.33 1i11 n TYR 52 Ca -0.07 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1i11 n TYR 52 Cb 0.78 -0.41 -0.00 0.00 -0.31 0.00 0.00 39.34 39.40 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 -0.02 -0.69 -0.72 3.20 -0.91 -3.07 116.97 114.76 1i11 h TYR 53 Ca 0.00 -0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.07 1i11 h TYR 53 Cb 0.23 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 1i11 h TYR 53 CO 0.00 -0.01 0.52 1.05 -1.64 0.00 0.00 178.16 178.08 1i11 h GLU 54 N -0.40 0.00 0.00 1.82 4.11 -1.54 1.95 114.58 120.51 1i11 h GLU 54 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1i11 h GLU 54 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1i11 h GLU 54 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 179.01 180.01 1i11 h GLU 55 N 0.00 0.00 0.01 1.06 5.08 -1.54 -2.77 114.58 116.42 1i11 h GLU 55 Ca 0.33 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1i11 h GLU 55 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1i11 h GLU 55 CO -0.00 0.00 -0.00 -0.56 -1.00 0.00 0.00 179.01 177.44 1i11 h GLN 56 N 0.00 -0.01 -1.02 2.33 3.07 0.32 -2.99 115.11 116.81 1i11 h GLN 56 Ca 0.00 0.00 0.25 0.00 0.09 0.00 0.00 58.65 58.99 1i11 h GLN 56 Cb 0.32 0.00 -0.10 0.00 0.08 0.00 0.00 27.48 27.78 1i11 h GLN 56 CO 0.00 0.84 0.64 0.00 0.09 0.00 0.00 178.83 180.40 1i11 h ALA 57 N -0.04 2.03 0.40 0.06 0.00 -1.38 1.60 119.26 121.94 1i11 h ALA 57 Ca -0.00 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1i11 h ALA 57 Cb 0.85 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1i11 h ALA 57 CO 0.00 -0.45 -0.19 0.07 0.00 0.00 0.00 179.25 178.68 1i11 h ARG 58 N 0.50 -0.52 0.00 0.00 0.11 -1.59 -1.45 114.38 111.43 1i11 h ARG 58 Ca 0.60 0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.72 1i11 h ARG 58 Cb 1.33 0.12 0.00 0.00 1.11 0.00 0.00 29.97 32.53 1i11 h ARG 58 CO -0.35 -0.24 0.00 1.37 0.10 0.00 0.00 179.97 180.85 1i11 h LEU 59 N -1.04 0.00 0.14 0.08 8.10 -1.17 -1.37 115.31 120.05 1i11 h LEU 59 Ca -0.05 0.00 -0.28 0.00 0.11 0.00 0.00 57.88 57.66 1i11 h LEU 59 Cb 0.51 0.00 0.03 0.00 -0.44 0.00 0.00 40.66 40.76 1i11 h LEU 59 CO 0.09 0.00 -1.17 -1.28 -4.11 0.00 0.00 178.44 171.97 1i11 h SER 60 N 0.00 0.79 -0.21 0.17 0.87 0.25 -1.98 113.55 113.45 1i11 h SER 60 Ca 0.00 -0.85 -0.05 0.00 -1.23 0.00 0.00 61.79 59.66 1i11 h SER 60 Cb 0.16 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 1i11 h SER 60 CO 0.00 1.57 -0.02 0.50 -0.53 0.00 0.00 176.83 178.35 1i11 h LYS 61 N 0.13 0.50 -0.40 2.24 1.63 -0.16 -2.12 116.57 118.39 1i11 h LYS 61 Ca -0.19 -0.11 -0.15 0.00 -0.85 0.00 0.00 60.65 59.35 1i11 h LYS 61 Cb 1.87 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 33.43 1i11 h LYS 61 CO 0.22 0.54 -0.35 1.96 -3.45 0.00 0.00 179.45 178.38 1i11 h GLN 62 N 0.48 0.94 -0.21 1.90 1.08 -1.38 -2.71 115.11 115.21 1i11 h GLN 62 Ca 0.10 -0.48 0.02 0.00 -1.45 0.00 0.00 58.65 56.85 1i11 h GLN 62 Cb 0.34 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.74 1i11 h GLN 62 CO 0.01 1.14 -0.26 1.25 -0.95 0.00 0.00 178.83 180.02 1i11 h HIS 63 N 0.76 -0.81 -0.99 2.96 2.76 -0.65 0.56 115.15 119.74 1i11 h HIS 63 Ca 0.07 0.04 0.22 0.00 -2.20 0.00 0.00 60.37 58.49 1i11 h HIS 63 Cb 0.94 0.38 -0.10 0.00 1.55 0.00 0.00 27.41 30.18 1i11 h HIS 63 CO 0.06 -0.23 0.62 -0.07 -1.30 0.00 0.00 177.93 177.02 1i11 h LEU 64 N -0.18 0.62 -0.47 0.26 4.07 -1.56 1.55 115.31 119.59 1i11 h LEU 64 Ca 0.04 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1i11 h LEU 64 Cb 0.27 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.99 1i11 h LEU 64 CO -0.29 0.19 0.00 -0.62 -1.08 0.00 0.00 178.44 176.65 1i11 n GLU 65 N -4.69 0.07 -0.07 1.13 1.02 0.18 -1.41 120.64 116.86 1i11 n GLU 65 Ca 0.23 0.47 -0.15 0.00 -0.02 0.00 0.00 57.16 57.69 1i11 n GLU 65 Cb 0.69 -1.67 -0.13 0.00 -0.02 0.00 0.00 31.44 30.30 1i11 n GLU 65 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1i11 h LYS 66 N 0.00 0.02 -2.06 3.49 1.57 0.42 -3.41 116.57 116.59 1i11 h LYS 66 Ca 0.00 -0.03 -0.53 0.00 -1.87 0.00 0.00 60.65 58.23 1i11 h LYS 66 Cb 0.11 0.01 -0.40 0.00 0.08 0.00 0.00 32.23 32.03 1i11 h LYS 66 CO 0.00 1.01 -1.04 2.48 -0.57 0.00 0.00 179.45 181.33 1i11 n TYR 67 N -4.56 0.97 0.01 -1.35 4.11 -1.01 -4.93 117.16 110.39 1i11 n TYR 67 Ca -0.13 -3.81 -0.01 0.00 -0.00 0.00 0.00 57.90 53.95 1i11 n TYR 67 Cb 0.52 -0.43 -0.01 0.00 -0.00 0.00 0.00 39.34 39.43 1i11 n TYR 67 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.86 175.86 1i11 h PRO 68 N 3.32 -0.08 -0.87 -3.48 0.13 -1.48 -3.32 132.00 126.21 1i11 h PRO 68 Ca 0.11 0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.19 1i11 h PRO 68 Cb 0.85 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.96 1i11 h PRO 68 CO 0.57 -0.06 0.06 -0.25 -0.23 0.00 0.00 178.00 178.10 1i11 n ASP 69 N -3.76 3.03 0.00 1.44 8.00 -1.26 -5.12 116.55 118.88 1i11 n ASP 69 Ca -0.01 -2.45 0.06 0.00 0.71 0.00 0.00 54.79 53.10 1i11 n ASP 69 Cb 0.03 -0.59 0.33 0.00 -0.02 0.00 0.00 41.12 40.87 1i11 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81