#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8r s ARG 8 N 0.00 0.74 -0.17 5.31 1.70 -0.76 -5.00 118.95 120.77 1n8r s ARG 8 Ca 0.00 -0.46 -0.01 0.00 -0.47 0.00 0.00 55.73 54.79 1n8r s ARG 8 Cb 0.00 0.21 -0.00 0.00 -0.57 0.00 0.00 34.95 34.59 1n8r s ARG 8 CO 0.00 -0.34 -0.13 0.08 -1.08 0.00 0.00 175.30 173.82 1n8r s VAL 9 N -2.19 2.78 0.02 4.99 1.01 -1.26 -2.22 120.40 123.53 1n8r s VAL 9 Ca 0.24 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.56 1n8r s VAL 9 Cb -0.00 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 1n8r s VAL 9 CO 0.01 0.50 -0.19 -0.69 0.00 0.00 0.00 175.10 174.74 1n8r s VAL 10 N 0.93 1.48 -0.43 2.92 1.01 0.18 -4.97 120.40 121.53 1n8r s VAL 10 Ca -0.03 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 60.82 1n8r s VAL 10 Cb -0.15 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 34.99 1n8r s VAL 10 CO -0.01 0.26 0.34 -0.89 0.00 0.00 0.00 175.10 174.80 1n8r s THR 11 N -0.64 5.23 -0.18 3.92 2.01 -1.26 -0.05 115.64 124.67 1n8r s THR 11 Ca 0.06 -0.73 -0.22 0.00 0.31 0.00 0.00 61.69 61.12 1n8r s THR 11 Cb -0.08 -4.00 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 1n8r s THR 11 CO 0.01 -0.40 0.68 -0.63 -0.69 0.00 0.00 174.62 173.59 1n8r s ILE 12 N 1.73 4.99 0.10 1.82 -1.09 -0.61 -4.90 121.20 123.23 1n8r s ILE 12 Ca 0.06 1.30 -0.23 0.00 -2.23 0.00 0.00 60.65 59.54 1n8r s ILE 12 Cb -0.20 -3.99 -0.07 0.00 -1.58 0.00 0.00 42.46 36.62 1n8r s ILE 12 CO 0.10 0.11 0.71 -2.16 -1.23 0.00 0.00 174.94 172.46 1n8r s PRO 13 N 1.86 4.45 -0.24 2.79 0.04 -1.26 -2.15 135.00 140.48 1n8r s PRO 13 Ca 0.31 1.00 0.09 0.00 0.04 0.00 0.00 61.00 62.45 1n8r s PRO 13 Cb -0.16 -3.29 0.44 0.00 0.04 0.00 0.00 34.50 31.52 1n8r s PRO 13 CO 0.11 0.49 1.21 1.28 0.04 0.00 0.00 177.00 180.13 1n8r n LEU 14 N 2.06 3.57 0.23 -3.56 4.77 0.88 -4.70 117.00 120.26 1n8r n LEU 14 Ca -0.06 -4.23 0.11 0.00 -0.03 0.00 0.00 56.01 51.81 1n8r n LEU 14 Cb 0.50 -0.46 0.45 0.00 -2.33 0.00 0.00 43.42 41.57 1n8r n LEU 14 CO 0.45 1.67 0.82 0.08 -1.33 0.00 0.00 177.39 179.08 1n8r h ARG 15 N 1.45 0.00 -0.00 3.23 0.11 -1.92 -2.98 114.38 114.27 1n8r h ARG 15 Ca 0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.22 1n8r h ARG 15 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 1n8r h ARG 15 CO 0.29 0.17 0.00 -0.25 0.10 0.00 0.00 179.97 180.29 1n8r n ASP 16 N -3.28 0.19 0.01 0.08 8.00 -1.26 -2.66 116.55 117.63 1n8r n ASP 16 Ca 0.01 -1.07 0.13 0.00 0.71 0.00 0.00 54.79 54.57 1n8r n ASP 16 Cb 0.44 -0.00 0.50 0.00 -0.02 0.00 0.00 41.12 42.03 1n8r n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n8r n ALA 17 N -0.85 2.69 1.57 2.24 0.00 -1.12 -3.17 120.51 121.87 1n8r n ALA 17 Ca 0.23 -0.17 0.15 0.00 0.00 0.00 0.00 53.44 53.65 1n8r n ALA 17 Cb 0.14 -1.36 0.75 0.00 0.00 0.00 0.00 19.45 18.98 1n8r n ALA 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n8r n ARG 18 N -1.54 0.72 0.13 0.00 1.74 -1.09 -2.84 116.66 113.78 1n8r n ARG 18 Ca 0.06 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1n8r n ARG 18 Cb 0.34 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.33 1n8r n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n8r h ALA 19 N 3.68 0.66 -2.69 7.54 0.00 -1.77 -3.45 119.26 123.23 1n8r h ALA 19 Ca 0.00 -0.56 -0.57 0.00 0.00 0.00 0.00 54.91 53.77 1n8r h ALA 19 Cb 0.25 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1n8r h ALA 19 CO 0.00 0.77 -0.05 -2.00 0.00 0.00 0.00 179.25 177.98 1n8r s GLU 20 N -3.03 4.17 0.17 0.00 2.56 -1.13 -5.01 118.70 116.42 1n8r s GLU 20 Ca 0.02 0.70 -0.31 0.00 0.00 0.00 0.00 54.97 55.38 1n8r s GLU 20 Cb 0.09 -3.21 -0.17 0.00 2.00 0.00 0.00 34.13 32.85 1n8r s GLU 20 CO 0.76 0.63 0.85 -0.35 -0.56 0.00 0.00 175.26 176.58 1n8r n PRO 21 N 1.63 0.49 -0.28 4.30 -0.04 -1.26 -4.75 135.00 135.08 1n8r n PRO 21 Ca -0.10 0.17 0.08 0.00 -0.04 0.00 0.00 63.50 63.61 1n8r n PRO 21 Cb 0.51 -1.44 0.23 0.00 -0.04 0.00 0.00 33.50 32.76 1n8r n PRO 21 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1n8r h ASN 22 N 2.08 0.37 0.12 3.54 2.35 -1.90 -1.65 115.58 120.49 1n8r h ASN 22 Ca -0.38 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1n8r h ASN 22 Cb 1.40 0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.84 1n8r h ASN 22 CO 0.62 0.12 0.00 0.00 -1.65 0.00 0.00 177.43 176.52 1n8r n HIS 23 N -4.97 0.00 -1.13 1.19 1.44 -1.26 -2.53 115.22 107.96 1n8r n HIS 23 Ca 0.17 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.96 1n8r n HIS 23 Cb 0.48 -0.32 0.11 0.00 0.12 0.00 0.00 29.99 30.37 1n8r n HIS 23 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1n8r n LYS 24 N -1.32 1.20 -0.03 -1.40 5.02 -0.62 -4.26 118.16 116.74 1n8r n LYS 24 Ca 0.02 -2.24 -0.08 0.00 -2.02 0.00 0.00 58.31 53.99 1n8r n LYS 24 Cb 0.05 -1.30 -0.02 0.00 -0.02 0.00 0.00 35.03 33.74 1n8r n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n8r h ARG 25 N 0.00 -0.14 -0.41 1.97 3.08 -1.15 -3.00 114.38 114.73 1n8r h ARG 25 Ca 0.00 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.10 1n8r h ARG 25 Cb 1.02 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.04 1n8r h ARG 25 CO 0.00 -0.09 -0.42 0.00 -1.07 0.00 0.00 179.97 178.39 1n8r h ALA 26 N 0.98 -0.59 -0.30 0.04 0.00 -1.54 0.86 119.26 118.71 1n8r h ALA 26 Ca 0.12 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1n8r h ALA 26 Cb 0.32 1.08 -0.08 0.00 0.00 0.00 0.00 17.79 19.12 1n8r h ALA 26 CO -0.29 -0.82 -0.50 -0.44 0.00 0.00 0.00 179.25 177.20 1n8r h ASP 27 N -0.22 -1.64 -0.91 0.00 3.45 -1.81 0.58 116.42 115.87 1n8r h ASP 27 Ca 0.07 0.22 0.13 0.00 0.43 0.00 0.00 57.03 57.88 1n8r h ASP 27 Cb 0.40 0.67 -0.09 0.00 -0.56 0.00 0.00 39.33 39.76 1n8r h ASP 27 CO -0.50 -0.42 0.52 0.50 -1.57 0.00 0.00 179.24 177.77 1n8r h LYS 28 N -0.44 0.77 0.24 3.56 1.63 -1.01 -1.13 116.57 120.18 1n8r h LYS 28 Ca 0.08 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1n8r h LYS 28 Cb 0.62 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 1n8r h LYS 28 CO -0.53 0.51 -0.25 0.00 -3.45 0.00 0.00 179.45 175.73 1n8r h ALA 29 N 1.54 -0.51 -1.08 5.00 0.00 0.25 -1.11 119.26 123.35 1n8r h ALA 29 Ca 0.47 -0.08 0.30 0.00 0.00 0.00 0.00 54.91 55.61 1n8r h ALA 29 Cb 0.57 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1n8r h ALA 29 CO -0.31 -0.82 0.75 1.98 0.00 0.00 0.00 179.25 180.85 1n8r h MET 30 N -0.53 0.15 0.01 0.00 1.85 0.29 0.14 114.93 116.84 1n8r h MET 30 Ca -0.00 -0.01 -0.21 0.00 -0.61 0.00 0.00 59.70 58.87 1n8r h MET 30 Cb 0.49 -0.03 0.02 0.00 0.43 0.00 0.00 31.60 32.51 1n8r h MET 30 CO -0.06 0.10 -0.83 0.82 -0.40 0.00 0.00 176.91 176.54 1n8r h ILE 31 N 0.16 1.36 -0.47 1.77 2.04 -0.74 -2.97 117.51 118.65 1n8r h ILE 31 Ca 0.56 -2.18 0.03 0.00 1.00 0.00 0.00 64.86 64.26 1n8r h ILE 31 Cb 1.88 2.53 -0.03 0.00 -0.74 0.00 0.00 36.82 40.45 1n8r h ILE 31 CO -0.12 0.65 0.26 -0.07 0.00 0.00 0.00 178.15 178.87 1n8r h LEU 32 N 0.12 0.41 -0.32 1.44 3.38 0.39 -0.08 115.31 120.65 1n8r h LEU 32 Ca -0.11 0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.93 1n8r h LEU 32 Cb 1.52 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 42.14 1n8r h LEU 32 CO 0.16 0.29 -0.02 0.40 0.09 0.00 0.00 178.44 179.36 1n8r h ILE 33 N 0.52 0.74 -0.46 1.22 2.04 -1.19 0.25 117.51 120.63 1n8r h ILE 33 Ca 0.19 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 66.00 1n8r h ILE 33 Cb 0.05 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1n8r h ILE 33 CO -0.11 0.01 0.16 -0.09 0.00 0.00 0.00 178.15 178.13 1n8r h ARG 34 N 0.07 0.66 -0.05 2.37 2.43 -1.25 -2.24 114.38 116.37 1n8r h ARG 34 Ca 0.16 -0.10 -0.17 0.00 -0.81 0.00 0.00 59.98 59.06 1n8r h ARG 34 Cb 0.22 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1n8r h ARG 34 CO -0.28 0.56 -0.71 0.93 -1.51 0.00 0.00 179.97 178.97 1n8r h GLU 35 N 0.65 0.25 0.54 0.20 5.08 0.30 -2.22 114.58 119.38 1n8r h GLU 35 Ca 0.16 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1n8r h GLU 35 Cb 0.17 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.46 1n8r h GLU 35 CO -0.01 0.85 -0.26 1.25 -1.00 0.00 0.00 179.01 179.84 1n8r h HIS 36 N 0.17 -0.68 -0.85 4.33 2.76 -0.21 -2.26 115.15 118.41 1n8r h HIS 36 Ca -0.02 -0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.22 1n8r h HIS 36 Cb 1.26 0.22 -0.07 0.00 1.55 0.00 0.00 27.41 30.37 1n8r h HIS 36 CO 0.03 -0.35 0.51 -0.07 -1.30 0.00 0.00 177.93 176.75 1n8r h LEU 37 N -0.96 0.75 -1.25 0.26 3.38 -1.45 0.30 115.31 116.34 1n8r h LEU 37 Ca -0.07 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1n8r h LEU 37 Cb 0.63 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1n8r h LEU 37 CO 0.12 0.44 0.08 0.00 0.09 0.00 0.00 178.44 179.18 1n8r h ALA 38 N 1.45 1.40 0.07 1.53 0.00 -1.38 -0.20 119.26 122.12 1n8r h ALA 38 Ca 0.40 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1n8r h ALA 38 Cb 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1n8r h ALA 38 CO -0.23 0.43 -0.03 -0.22 0.00 0.00 0.00 179.25 179.20 1n8r h LYS 39 N 0.58 -0.09 0.00 0.00 3.64 -0.58 -0.12 116.57 120.01 1n8r h LYS 39 Ca 0.13 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1n8r h LYS 39 Cb 0.25 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1n8r h LYS 39 CO -0.00 0.46 0.00 0.45 -2.27 0.00 0.00 179.45 178.09 1n8r h HIS 40 N -0.91 0.00 -0.18 1.91 3.86 -0.96 -2.61 115.15 116.26 1n8r h HIS 40 Ca -0.01 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 1n8r h HIS 40 Cb 0.59 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.03 1n8r h HIS 40 CO 0.14 0.00 -0.08 1.19 0.86 0.00 0.00 177.93 180.04 1n8r n PHE 41 N -2.47 0.60 -3.21 2.45 3.01 -0.09 -5.00 117.46 112.74 1n8r n PHE 41 Ca 0.01 -1.16 -0.19 0.00 1.01 0.00 0.00 57.45 57.12 1n8r n PHE 41 Cb 0.24 -0.30 0.01 0.00 -0.01 0.00 0.00 39.48 39.41 1n8r n PHE 41 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1n8r n SER 42 N -1.00 -3.30 -3.80 4.37 7.64 -0.98 -4.95 113.62 111.59 1n8r n SER 42 Ca 0.22 -0.53 -0.10 0.00 1.01 0.00 0.00 58.87 59.48 1n8r n SER 42 Cb 0.83 -1.06 -0.06 0.00 -1.01 0.00 0.00 64.21 62.91 1n8r n SER 42 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1n8r s VAL 43 N -2.26 0.08 0.26 0.44 1.01 -0.07 -4.98 120.40 114.89 1n8r s VAL 43 Ca 0.06 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 1n8r s VAL 43 Cb -0.01 -1.46 -0.09 0.00 0.00 0.00 0.00 36.38 34.82 1n8r s VAL 43 CO 0.60 -0.38 0.99 -1.81 0.00 0.00 0.00 175.10 174.50 1n8r s ASP 44 N -2.88 7.48 0.24 3.32 1.11 -1.26 -4.46 116.67 120.22 1n8r s ASP 44 Ca 0.08 2.04 0.16 0.00 0.18 0.00 0.00 52.55 55.01 1n8r s ASP 44 Cb 0.03 -2.61 0.86 0.00 1.07 0.00 0.00 42.92 42.27 1n8r s ASP 44 CO -0.07 0.03 1.48 -0.62 1.18 0.00 0.00 175.17 177.17 1n8r n GLU 45 N 1.28 0.10 0.09 8.23 1.02 -1.26 -0.15 120.64 129.95 1n8r n GLU 45 Ca -0.01 0.60 -0.05 0.00 -0.02 0.00 0.00 57.16 57.67 1n8r n GLU 45 Cb 0.47 -1.86 -0.02 0.00 -0.02 0.00 0.00 31.44 30.01 1n8r n GLU 45 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1n8r h ASP 46 N 0.00 0.03 0.29 1.62 3.32 -1.96 -3.21 116.42 116.51 1n8r h ASP 46 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1n8r h ASP 46 Cb 0.05 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1n8r h ASP 46 CO 0.00 0.88 -0.14 0.00 -1.72 0.00 0.00 179.24 178.26 1n8r n ALA 47 N -2.39 2.82 -2.61 3.45 0.00 0.78 -4.84 120.51 117.74 1n8r n ALA 47 Ca -0.01 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.70 1n8r n ALA 47 Cb 0.82 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 1n8r n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n8r s VAL 48 N -2.43 4.77 -0.22 0.00 1.01 -1.18 -2.59 120.40 119.76 1n8r s VAL 48 Ca 0.29 1.11 -0.06 0.00 0.00 0.00 0.00 61.98 63.33 1n8r s VAL 48 Cb 0.20 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1n8r s VAL 48 CO 0.47 -0.30 0.02 -0.60 0.00 0.00 0.00 175.10 174.69 1n8r s ARG 49 N 3.00 3.60 -0.27 2.72 3.52 0.10 -4.99 118.95 126.63 1n8r s ARG 49 Ca 0.32 -0.52 -0.10 0.00 -0.13 0.00 0.00 55.73 55.30 1n8r s ARG 49 Cb -0.14 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 1n8r s ARG 49 CO 0.14 -0.09 0.15 -0.51 -0.81 0.00 0.00 175.30 174.18 1n8r s LEU 50 N 1.29 3.86 0.22 -0.88 1.43 -1.26 -0.50 118.68 122.84 1n8r s LEU 50 Ca 0.04 -0.09 -0.30 0.00 -1.03 0.00 0.00 54.13 52.75 1n8r s LEU 50 Cb -0.15 -2.06 -0.09 0.00 0.03 0.00 0.00 46.19 43.92 1n8r s LEU 50 CO 0.02 -0.05 1.39 -0.62 0.23 0.00 0.00 176.35 177.31 1n8r s ASP 51 N 1.71 6.76 0.40 2.29 -1.08 0.56 -4.86 116.67 122.46 1n8r s ASP 51 Ca 0.07 2.54 0.33 0.00 -0.52 0.00 0.00 52.55 54.96 1n8r s ASP 51 Cb -0.16 -2.61 1.31 0.00 -1.46 0.00 0.00 42.92 40.00 1n8r s ASP 51 CO 0.09 -0.63 1.29 -2.65 0.52 0.00 0.00 175.17 173.78 1n8r n PRO 52 N 2.60 -0.02 -0.19 4.34 -0.02 -1.26 0.03 135.00 140.48 1n8r n PRO 52 Ca 0.07 0.98 -0.03 0.00 -2.02 0.00 0.00 63.50 62.50 1n8r n PRO 52 Cb 0.41 -2.05 0.04 0.00 -0.02 0.00 0.00 33.50 31.88 1n8r n PRO 52 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1n8r h SER 53 N 0.00 -0.78 -0.47 2.55 4.64 -1.94 0.35 113.55 117.90 1n8r h SER 53 Ca 0.75 0.20 0.04 0.00 -0.47 0.00 0.00 61.79 62.30 1n8r h SER 53 Cb 2.66 0.45 -0.04 0.00 -0.31 0.00 0.00 62.40 65.16 1n8r h SER 53 CO -0.23 -0.25 0.24 0.40 -0.87 0.00 0.00 176.83 176.13 1n8r h ILE 54 N -0.08 0.98 0.32 0.95 2.04 -0.74 0.15 117.51 121.12 1n8r h ILE 54 Ca 0.27 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1n8r h ILE 54 Cb 0.49 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1n8r h ILE 54 CO -0.64 0.09 -0.39 -1.13 0.00 0.00 0.00 178.15 176.08 1n8r h ASN 55 N 0.49 -1.08 -0.59 1.72 -1.24 -0.56 -1.50 115.58 112.82 1n8r h ASN 55 Ca 0.20 0.10 0.14 0.00 0.71 0.00 0.00 56.30 57.45 1n8r h ASN 55 Cb 0.09 0.38 -0.03 0.00 0.73 0.00 0.00 38.32 39.49 1n8r h ASN 55 CO -0.13 -0.52 0.41 -0.33 -1.29 0.00 0.00 177.43 175.57 1n8r h GLU 56 N -0.75 0.16 0.14 6.67 5.08 -0.14 -1.15 114.58 124.60 1n8r h GLU 56 Ca -0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1n8r h GLU 56 Cb 0.70 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1n8r h GLU 56 CO -0.11 0.11 -0.07 0.00 -1.00 0.00 0.00 179.01 177.94 1n8r h ALA 57 N 1.71 -0.19 -0.78 3.43 0.00 0.02 -1.24 119.26 122.21 1n8r h ALA 57 Ca 0.28 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1n8r h ALA 57 Cb 0.88 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1n8r h ALA 57 CO -0.04 -0.49 0.42 0.00 0.00 0.00 0.00 179.25 179.14 1n8r h ALA 58 N 0.40 1.00 -0.01 0.00 0.00 -0.60 -2.71 119.26 117.35 1n8r h ALA 58 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1n8r h ALA 58 Cb 0.33 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1n8r h ALA 58 CO 0.03 0.52 -0.02 0.91 0.00 0.00 0.00 179.25 180.69 1n8r n TRP 59 N -4.42 0.00 -0.32 0.00 7.02 -0.52 -4.47 117.44 114.73 1n8r n TRP 59 Ca 0.07 0.00 0.21 0.00 -1.02 0.00 0.00 57.50 56.76 1n8r n TRP 59 Cb 0.10 -0.03 0.40 0.00 -2.42 0.00 0.00 31.31 29.36 1n8r n TRP 59 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1n8r n ALA 60 N -0.50 0.70 -1.51 6.99 0.00 -0.47 -0.13 120.51 125.59 1n8r n ALA 60 Ca 0.20 1.01 -0.17 0.00 0.00 0.00 0.00 53.44 54.49 1n8r n ALA 60 Cb 0.25 -0.85 0.14 0.00 0.00 0.00 0.00 19.45 18.99 1n8r n ALA 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n8r n ARG 61 N -5.33 2.38 0.00 0.00 1.74 -1.26 -5.07 116.66 109.12 1n8r n ARG 61 Ca 0.28 -3.37 0.00 0.00 -0.77 0.00 0.00 57.85 53.99 1n8r n ARG 61 Cb 0.95 -2.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1n8r n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n8r n GLY 62 N -1.02 -0.18 0.26 -0.13 0.00 0.82 -3.86 105.19 101.08 1n8r n GLY 62 Ca 0.45 -1.82 0.15 0.00 0.00 0.00 0.00 46.02 44.79 1n8r n GLY 62 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1n8r h ARG 63 N 0.00 0.00 0.00 1.61 2.43 -1.86 -3.26 114.38 113.29 1n8r h ARG 63 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1n8r h ARG 63 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1n8r h ARG 63 CO 0.00 0.09 -1.01 0.00 -1.51 0.00 0.00 179.97 177.54 1n8r n ALA 64 N -2.16 4.10 -3.81 2.80 0.00 -1.26 -1.45 120.51 118.74 1n8r n ALA 64 Ca 0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 53.44 52.63 1n8r n ALA 64 Cb 0.33 -0.65 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 1n8r n ALA 64 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1n8r s ASN 65 N -2.94 5.20 0.08 0.00 0.01 -1.23 -4.77 114.94 111.30 1n8r s ASN 65 Ca 0.05 -3.77 -0.12 0.00 -0.71 0.00 0.00 52.86 48.31 1n8r s ASN 65 Cb 0.13 -1.73 -0.06 0.00 0.41 0.00 0.00 41.25 40.00 1n8r s ASN 65 CO 0.75 -0.13 0.45 -0.89 -1.51 0.00 0.00 177.10 175.77 1n8r s THR 66 N -1.36 5.00 0.61 1.60 2.01 -1.26 -4.23 115.64 118.02 1n8r s THR 66 Ca 0.25 0.66 -0.18 0.00 0.31 0.00 0.00 61.69 62.73 1n8r s THR 66 Cb -0.06 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 1n8r s THR 66 CO -0.14 0.34 1.17 -2.16 -0.69 0.00 0.00 174.62 173.14 1n8r s PRO 67 N -1.73 2.91 0.41 4.92 0.04 -1.26 -4.95 135.00 135.33 1n8r s PRO 67 Ca 0.32 1.70 0.20 0.00 0.04 0.00 0.00 61.00 63.27 1n8r s PRO 67 Cb -0.15 -1.94 0.84 0.00 0.04 0.00 0.00 34.50 33.30 1n8r s PRO 67 CO 0.17 -1.23 1.81 0.66 0.04 0.00 0.00 177.00 178.46 1n8r h SER 68 N 0.65 0.00 -5.37 6.66 4.64 -1.96 -3.43 113.55 114.73 1n8r h SER 68 Ca -0.49 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.42 1n8r h SER 68 Cb 1.28 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.23 1n8r h SER 68 CO 0.55 0.31 -0.54 -0.54 -0.87 0.00 0.00 176.83 175.73 1n8r s LYS 69 N -3.76 1.58 -0.30 4.77 1.02 -1.26 -0.08 119.74 121.71 1n8r s LYS 69 Ca -0.01 -1.90 -0.13 0.00 0.02 0.00 0.00 55.97 53.96 1n8r s LYS 69 Cb 0.11 0.15 0.16 0.00 -0.52 0.00 0.00 37.83 37.73 1n8r s LYS 69 CO 0.67 -0.52 0.88 -1.50 -0.92 0.00 0.00 175.35 173.95 1n8r s ILE 70 N -3.66 -0.66 -0.10 2.17 2.07 -0.91 -4.93 121.20 115.18 1n8r s ILE 70 Ca 0.38 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.33 1n8r s ILE 70 Cb 0.04 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.62 1n8r s ILE 70 CO 0.20 0.00 1.09 -0.13 -1.91 0.00 0.00 174.94 174.19 1n8r s ARG 71 N 2.63 4.37 -0.04 3.50 0.52 -1.26 -1.58 118.95 127.09 1n8r s ARG 71 Ca -0.02 1.50 0.03 0.00 -0.52 0.00 0.00 55.73 56.72 1n8r s ARG 71 Cb -0.08 -3.57 0.00 0.00 0.52 0.00 0.00 34.95 31.82 1n8r s ARG 71 CO -0.18 -0.41 -0.14 0.54 0.02 0.00 0.00 175.30 175.14 1n8r s VAL 72 N 2.26 1.17 -0.29 3.52 0.11 0.93 -3.74 120.40 124.36 1n8r s VAL 72 Ca 0.51 -0.56 -0.11 0.00 -2.93 0.00 0.00 61.98 58.89 1n8r s VAL 72 Cb -0.20 -1.03 -0.03 0.00 -1.53 0.00 0.00 36.38 33.59 1n8r s VAL 72 CO 0.18 0.35 0.18 -0.60 -3.33 0.00 0.00 175.10 171.88 1n8r s ARG 73 N 0.18 3.74 0.13 1.54 3.52 0.00 -0.64 118.95 127.42 1n8r s ARG 73 Ca -0.05 -0.46 0.07 0.00 -0.13 0.00 0.00 55.73 55.16 1n8r s ARG 73 Cb -0.11 -3.63 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 1n8r s ARG 73 CO 0.02 -0.26 -0.16 0.00 -0.81 0.00 0.00 175.30 174.08 1n8r s ALA 74 N 1.71 1.71 0.05 6.12 0.00 -0.94 -0.88 121.76 129.53 1n8r s ALA 74 Ca 0.06 -1.35 0.05 0.00 0.00 0.00 0.00 51.96 50.72 1n8r s ALA 74 Cb -0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 1n8r s ALA 74 CO 0.09 0.18 -0.13 0.00 0.00 0.00 0.00 175.76 175.90 1n8r s ALA 75 N -1.97 1.11 0.02 0.00 0.00 -0.05 -1.83 121.76 119.04 1n8r s ALA 75 Ca 0.11 -0.88 0.08 0.00 0.00 0.00 0.00 51.96 51.27 1n8r s ALA 75 Cb -0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1n8r s ALA 75 CO 0.04 0.18 -0.24 0.50 0.00 0.00 0.00 175.76 176.24 1n8r s ARG 76 N -1.39 1.77 0.00 0.00 3.52 -1.26 -1.36 118.95 120.22 1n8r s ARG 76 Ca -0.01 -0.98 0.00 0.00 -0.13 0.00 0.00 55.73 54.61 1n8r s ARG 76 Cb -0.09 -1.85 0.00 0.00 -1.56 0.00 0.00 34.95 31.46 1n8r s ARG 76 CO 0.02 0.49 0.00 1.97 -0.81 0.00 0.00 175.30 176.96 1n8r n PHE 77 N 2.05 0.00 -2.41 5.12 1.16 -0.63 -4.73 117.46 118.02 1n8r n PHE 77 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.42 1n8r n PHE 77 Cb 0.52 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.39 1n8r n PHE 77 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1n8r n GLU 78 N 0.00 0.00 0.02 3.97 2.13 -1.26 -1.91 120.64 123.58 1n8r n GLU 78 Ca 0.00 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.95 1n8r n GLU 78 Cb 0.00 0.00 0.40 0.00 0.27 0.00 0.00 31.44 32.11 1n8r n GLU 78 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1n8r n GLU 79 N -0.35 0.06 0.00 5.31 -0.00 -1.26 -3.92 120.64 120.48 1n8r n GLU 79 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.16 57.19 1n8r n GLU 79 Cb 0.00 -1.55 0.00 0.00 -0.00 0.00 0.00 31.44 29.89 1n8r n GLU 79 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1n8r n GLU 80 N -1.64 6.90 -0.09 3.44 2.13 -1.26 -5.11 120.64 125.00 1n8r n GLU 80 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1n8r n GLU 80 Cb 0.36 -0.49 0.00 0.00 0.27 0.00 0.00 31.44 31.57 1n8r n GLU 80 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1n8r n GLY 81 N 0.99 -1.68 3.73 8.31 0.00 -1.24 -5.00 105.19 110.30 1n8r n GLY 81 Ca 0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 46.02 44.95 1n8r n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1n8r s GLU 82 N -3.97 0.84 -0.01 1.61 -1.05 -0.80 -4.80 118.70 110.51 1n8r s GLU 82 Ca 0.00 -0.48 0.00 0.00 -0.15 0.00 0.00 54.97 54.34 1n8r s GLU 82 Cb 0.00 0.27 0.01 0.00 -0.44 0.00 0.00 34.13 33.97 1n8r s GLU 82 CO 0.00 -0.39 -0.00 0.00 0.95 0.00 0.00 175.26 175.82 1n8r s ALA 83 N -2.73 0.13 -0.10 -0.84 0.00 -1.07 -1.60 121.76 115.55 1n8r s ALA 83 Ca 0.15 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.17 1n8r s ALA 83 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1n8r s ALA 83 CO -0.00 -0.01 -0.18 0.42 0.00 0.00 0.00 175.76 175.99 1n8r s ILE 84 N 0.28 2.65 0.12 0.00 1.01 -0.47 -0.72 121.20 124.07 1n8r s ILE 84 Ca -0.02 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.83 1n8r s ILE 84 Cb -0.04 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 1n8r s ILE 84 CO -0.01 0.55 -0.08 -0.69 0.00 0.00 0.00 174.94 174.71 1n8r s VAL 85 N 0.11 0.91 0.20 2.92 1.01 0.34 -0.87 120.40 125.02 1n8r s VAL 85 Ca -0.09 -1.97 -0.21 0.00 0.00 0.00 0.00 61.98 59.72 1n8r s VAL 85 Cb -0.15 -1.73 0.04 0.00 0.00 0.00 0.00 36.38 34.54 1n8r s VAL 85 CO 0.05 -0.80 0.60 -1.83 0.00 0.00 0.00 175.10 173.12 1n8r s GLU 86 N -3.74 1.43 1.22 2.72 -1.05 -0.06 -0.32 118.70 118.89 1n8r s GLU 86 Ca 0.14 -0.72 -0.18 0.00 -0.15 0.00 0.00 54.97 54.05 1n8r s GLU 86 Cb 0.04 0.57 0.28 0.00 -0.44 0.00 0.00 34.13 34.57 1n8r s GLU 86 CO -0.02 -0.63 0.62 0.00 0.95 0.00 0.00 175.26 176.18 1n8r n ALA 87 N -0.38 -2.47 -1.01 -0.84 0.00 -1.26 -0.82 120.51 113.73 1n8r n ALA 87 Ca -0.12 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 51.89 1n8r n ALA 87 Cb 0.63 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1n8r n ALA 87 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89