#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nji s TRP 2 N 0.00 3.72 0.23 0.66 1.48 -1.26 -5.07 118.94 118.70 1nji s TRP 2 Ca 0.00 1.57 -0.11 0.00 -1.06 0.00 0.00 56.10 56.49 1nji s TRP 2 Cb 0.00 -2.75 -0.07 0.00 -1.16 0.00 0.00 33.47 29.49 1nji s TRP 2 CO 0.00 0.33 0.58 -0.51 -4.06 0.00 0.00 176.95 173.29 1nji s ASP 3 N -1.54 6.69 -0.01 -2.66 1.01 -1.26 -5.03 116.67 113.87 1nji s ASP 3 Ca 0.44 1.01 -0.21 0.00 0.71 0.00 0.00 52.55 54.50 1nji s ASP 3 Cb -0.19 -2.26 -0.12 0.00 1.01 0.00 0.00 42.92 41.36 1nji s ASP 3 CO 0.23 -0.06 0.87 0.58 0.21 0.00 0.00 175.17 177.00 1nji h VAL 4 N 2.16 0.04 -3.60 -1.27 2.07 -1.96 -3.40 116.25 110.29 1nji h VAL 4 Ca -0.47 -0.47 -0.51 0.00 0.82 0.00 0.00 66.70 66.06 1nji h VAL 4 Cb 1.17 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1nji h VAL 4 CO 0.68 0.01 0.32 -0.63 0.02 0.00 0.00 177.57 177.96 1nji s ILE 5 N -3.97 4.38 -0.22 4.57 1.01 -1.26 -1.13 121.20 124.58 1nji s ILE 5 Ca -0.11 1.99 -0.13 0.00 0.00 0.00 0.00 60.65 62.41 1nji s ILE 5 Cb 0.01 -4.28 -0.09 0.00 0.01 0.00 0.00 42.46 38.11 1nji s ILE 5 CO 0.34 0.40 -0.30 0.29 0.00 0.00 0.00 174.94 175.66 1nji n LYS 6 N 2.27 0.49 -3.63 2.79 5.02 0.18 -4.89 118.16 120.38 1nji n LYS 6 Ca -0.00 0.21 -0.03 0.00 -2.02 0.00 0.00 58.31 56.47 1nji n LYS 6 Cb 0.49 -1.33 -0.02 0.00 -0.02 0.00 0.00 35.03 34.14 1nji n LYS 6 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1nji s HIS 7 N -2.50 -0.04 0.16 2.13 -3.43 -1.11 -4.99 115.29 105.50 1nji s HIS 7 Ca -0.31 0.03 -0.31 0.00 -0.80 0.00 0.00 55.06 53.67 1nji s HIS 7 Cb 0.11 0.50 -0.09 0.00 -1.43 0.00 0.00 32.58 31.68 1nji s HIS 7 CO 0.41 -0.07 1.39 -2.14 -2.00 0.00 0.00 174.74 172.33 1nji s PRO 8 N -2.14 4.32 -0.78 -0.38 0.02 -1.26 -0.77 135.00 134.01 1nji s PRO 8 Ca 0.11 2.13 -0.21 0.00 0.02 0.00 0.00 61.00 63.05 1nji s PRO 8 Cb -0.01 -3.20 0.09 0.00 0.02 0.00 0.00 34.50 31.40 1nji s PRO 8 CO -0.03 -0.40 1.04 -1.58 -0.33 0.00 0.00 177.00 175.70 1nji s HIS 9 N 0.67 2.84 -0.40 6.54 2.46 -0.10 -4.82 115.29 122.47 1nji s HIS 9 Ca 0.62 -0.89 -0.13 0.00 0.47 0.00 0.00 55.06 55.13 1nji s HIS 9 Cb -0.38 -4.30 0.03 0.00 -0.13 0.00 0.00 32.58 27.80 1nji s HIS 9 CO 0.34 -1.59 0.27 0.54 -2.47 0.00 0.00 174.74 171.83 1nji s VAL 10 N 3.55 4.89 0.17 0.89 0.11 -1.26 -4.64 120.40 124.11 1nji s VAL 10 Ca 0.27 -0.85 -0.09 0.00 -2.93 0.00 0.00 61.98 58.37 1nji s VAL 10 Cb -0.12 -3.78 -0.01 0.00 -1.53 0.00 0.00 36.38 30.95 1nji s VAL 10 CO 0.02 -0.33 0.30 0.42 -3.33 0.00 0.00 175.10 172.17 1nji s THR 11 N 1.60 0.06 0.22 5.04 -4.23 -1.26 -5.01 115.64 112.07 1nji s THR 11 Ca 0.03 -1.36 -0.14 0.00 -1.18 0.00 0.00 61.69 59.04 1nji s THR 11 Cb -0.20 -1.83 0.27 0.00 1.34 0.00 0.00 72.50 72.08 1nji s THR 11 CO 0.08 -0.29 1.59 -0.33 -0.54 0.00 0.00 174.62 175.13 1nji h GLU 12 N 2.53 -0.04 -0.69 3.99 3.07 -2.00 0.32 114.58 121.75 1nji h GLU 12 Ca -0.32 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.54 1nji h GLU 12 Cb 1.23 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.12 1nji h GLU 12 CO 0.48 -0.03 0.40 -0.22 -1.40 0.00 0.00 179.01 178.24 1nji h LYS 13 N -0.04 0.94 -0.38 2.33 3.64 -1.98 -1.67 116.57 119.41 1nji h LYS 13 Ca 0.34 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.57 1nji h LYS 13 Cb 0.57 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1nji h LYS 13 CO -0.80 0.68 0.00 0.00 -2.27 0.00 0.00 179.45 177.06 1nji h ALA 14 N 1.48 1.31 -0.12 5.00 0.00 -0.73 -2.53 119.26 123.67 1nji h ALA 14 Ca 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1nji h ALA 14 Cb -0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1nji h ALA 14 CO -0.04 0.47 0.02 0.52 0.00 0.00 0.00 179.25 180.22 1nji h MET 15 N 0.56 0.20 -0.97 0.00 2.86 -0.27 -1.94 114.93 115.36 1nji h MET 15 Ca 0.12 -0.05 0.08 0.00 -2.06 0.00 0.00 59.70 57.79 1nji h MET 15 Cb 0.35 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.92 1nji h MET 15 CO 0.01 0.38 0.62 -0.91 1.06 0.00 0.00 176.91 178.07 1nji h ASN 16 N -0.02 0.97 0.22 1.22 2.35 -1.14 0.42 115.58 119.60 1nji h ASN 16 Ca 0.04 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 1nji h ASN 16 Cb 0.27 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1nji h ASN 16 CO 0.00 0.60 -0.35 0.44 -1.65 0.00 0.00 177.43 176.46 1nji h ASP 17 N 1.09 0.20 0.00 5.81 5.19 -1.34 0.31 116.42 127.68 1nji h ASP 17 Ca 0.43 -0.07 -0.07 0.00 -0.62 0.00 0.00 57.03 56.71 1nji h ASP 17 Cb 0.24 -0.05 0.01 0.00 0.18 0.00 0.00 39.33 39.70 1nji h ASP 17 CO -0.19 0.54 -0.27 -0.03 -3.12 0.00 0.00 179.24 176.17 1nji h MET 18 N 0.17 0.18 -0.13 3.56 4.05 -0.16 -0.14 114.93 122.45 1nji h MET 18 Ca 0.02 -0.19 -0.21 0.00 -0.28 0.00 0.00 59.70 59.03 1nji h MET 18 Cb 0.71 0.06 0.01 0.00 -0.80 0.00 0.00 31.60 31.57 1nji h MET 18 CO 0.05 0.94 -0.77 -0.44 0.23 0.00 0.00 176.91 176.92 1nji h ASP 19 N -0.50 0.82 0.01 1.39 3.32 -0.22 -3.14 116.42 118.11 1nji h ASP 19 Ca -0.03 -0.54 0.00 0.00 0.02 0.00 0.00 57.03 56.47 1nji h ASP 19 Cb 1.03 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.34 1nji h ASP 19 CO 0.05 1.33 -1.67 0.49 -1.72 0.00 0.00 179.24 177.72 1nji n PHE 20 N -3.91 0.01 -0.55 4.55 0.99 0.11 -4.64 117.46 114.02 1nji n PHE 20 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.39 1nji n PHE 20 Cb 0.74 -0.35 0.00 0.00 -1.00 0.00 0.00 39.48 38.87 1nji n PHE 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1nji n GLN 21 N -2.02 1.04 -3.71 -1.08 6.02 -0.15 -5.01 117.38 112.46 1nji n GLN 21 Ca -0.01 -0.83 -0.25 0.00 -0.01 0.00 0.00 57.00 55.90 1nji n GLN 21 Cb 0.49 -0.72 0.06 0.00 1.02 0.00 0.00 30.24 31.09 1nji n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1nji n ASN 22 N -0.19 -4.51 -4.39 1.08 5.15 -0.67 -4.78 115.26 106.95 1nji n ASN 22 Ca 0.00 -0.68 -0.30 0.00 -0.60 0.00 0.00 54.58 53.00 1nji n ASN 22 Cb 0.35 -4.50 -0.14 0.00 -0.53 0.00 0.00 39.78 34.96 1nji n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1nji s LYS 23 N -6.26 1.83 -0.02 1.20 1.02 -0.69 -1.11 119.74 115.71 1nji s LYS 23 Ca 0.46 -1.11 0.06 0.00 0.02 0.00 0.00 55.97 55.40 1nji s LYS 23 Cb -0.21 -2.04 -0.03 0.00 -0.52 0.00 0.00 37.83 35.03 1nji s LYS 23 CO 0.78 0.51 -0.18 -0.51 -0.92 0.00 0.00 175.35 175.03 1nji s LEU 24 N -1.43 2.55 -0.07 3.17 1.43 0.21 -3.00 118.68 121.54 1nji s LEU 24 Ca 0.13 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1nji s LEU 24 Cb -0.10 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 1nji s LEU 24 CO 0.04 0.32 -0.14 -1.10 0.23 0.00 0.00 176.35 175.69 1nji s GLN 25 N -0.90 2.71 0.20 1.70 -0.21 -1.26 -0.14 119.66 121.76 1nji s GLN 25 Ca 0.12 -0.69 0.03 0.00 0.02 0.00 0.00 55.36 54.84 1nji s GLN 25 Cb -0.10 -2.44 -0.05 0.00 1.00 0.00 0.00 33.01 31.42 1nji s GLN 25 CO 0.01 0.53 -0.02 -0.06 -2.12 0.00 0.00 175.29 173.63 1nji s PHE 26 N -0.48 1.43 -0.26 0.91 0.40 -0.27 -0.93 117.98 118.77 1nji s PHE 26 Ca 0.06 -0.92 -0.07 0.00 -0.60 0.00 0.00 56.93 55.41 1nji s PHE 26 Cb -0.12 -0.81 -0.01 0.00 0.51 0.00 0.00 43.02 42.59 1nji s PHE 26 CO 0.02 -0.06 0.06 0.00 0.70 0.00 0.00 175.22 175.94 1nji s ALA 27 N -3.46 3.09 0.37 5.36 0.00 0.05 -1.52 121.76 125.65 1nji s ALA 27 Ca 0.25 -1.25 0.08 0.00 0.00 0.00 0.00 51.96 51.04 1nji s ALA 27 Cb 0.05 -2.07 -0.07 0.00 0.00 0.00 0.00 23.12 21.03 1nji s ALA 27 CO 0.06 -0.64 -0.03 0.14 0.00 0.00 0.00 175.76 175.28 1nji s VAL 28 N 1.56 2.01 0.18 0.00 -7.23 -0.18 -0.64 120.40 116.11 1nji s VAL 28 Ca 0.05 -2.09 -0.30 0.00 -1.81 0.00 0.00 61.98 57.82 1nji s VAL 28 Cb -0.16 -2.80 -0.09 0.00 0.56 0.00 0.00 36.38 33.90 1nji s VAL 28 CO 0.03 -0.11 1.35 -0.62 -0.31 0.00 0.00 175.10 175.44 1nji s ASP 29 N -3.63 6.84 0.00 4.85 -1.08 -0.28 -3.10 116.67 120.27 1nji s ASP 29 Ca 0.34 2.42 0.06 0.00 -0.52 0.00 0.00 52.55 54.84 1nji s ASP 29 Cb 0.06 -2.61 0.33 0.00 -1.46 0.00 0.00 42.92 39.25 1nji s ASP 29 CO 0.17 -0.58 0.72 -0.90 0.52 0.00 0.00 175.17 175.09 1nji n ASP 30 N 2.93 0.00 -0.52 -0.34 5.75 -1.26 -1.34 116.55 121.78 1nji n ASP 30 Ca 0.08 -0.38 0.11 0.00 -0.01 0.00 0.00 54.79 54.58 1nji n ASP 30 Cb 0.42 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 1nji n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1nji n ARG 31 N -0.82 1.34 -3.07 0.11 1.74 -1.26 -4.94 116.66 109.76 1nji n ARG 31 Ca 0.04 -1.05 -0.39 0.00 -0.77 0.00 0.00 57.85 55.68 1nji n ARG 31 Cb 0.02 -1.45 -0.06 0.00 -1.02 0.00 0.00 32.46 29.95 1nji n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nji s ALA 32 N -2.38 3.47 0.60 7.54 0.00 -0.45 -5.07 121.76 125.48 1nji s ALA 32 Ca 0.18 0.25 -0.02 0.00 0.00 0.00 0.00 51.96 52.38 1nji s ALA 32 Cb 0.18 -2.87 0.04 0.00 0.00 0.00 0.00 23.12 20.46 1nji s ALA 32 CO 0.53 0.28 0.86 -1.54 0.00 0.00 0.00 175.76 175.89 1nji s SER 33 N -0.92 5.16 0.24 0.00 1.04 -1.26 -4.90 113.70 113.05 1nji s SER 33 Ca 0.34 0.21 -0.06 0.00 0.48 0.00 0.00 55.95 56.92 1nji s SER 33 Cb -0.22 -1.04 0.28 0.00 0.10 0.00 0.00 66.02 65.14 1nji s SER 33 CO 0.23 -1.28 1.89 0.11 0.98 0.00 0.00 173.24 175.18 1nji h LYS 34 N -0.17 1.13 -0.51 4.02 1.57 -1.97 -0.83 116.57 119.81 1nji h LYS 34 Ca -0.43 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.30 1nji h LYS 34 Cb 1.30 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 33.32 1nji h LYS 34 CO 0.56 0.75 0.31 0.78 -0.57 0.00 0.00 179.45 181.28 1nji h GLY 35 N 1.16 0.72 1.15 3.86 0.00 -1.97 0.17 103.07 108.16 1nji h GLY 35 Ca 0.36 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 1nji h GLY 35 CO -0.11 0.21 0.11 0.83 0.00 0.00 0.00 176.54 177.58 1nji h GLU 36 N 0.63 1.05 -0.50 4.80 5.08 -1.80 -1.29 114.58 122.54 1nji h GLU 36 Ca 0.20 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1nji h GLU 36 Cb -0.01 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1nji h GLU 36 CO -0.08 0.95 0.04 0.28 -1.00 0.00 0.00 179.01 179.21 1nji h VAL 37 N 0.99 1.26 0.12 3.13 2.07 -0.60 -0.97 116.25 122.24 1nji h VAL 37 Ca 0.20 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1nji h VAL 37 Cb 0.41 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1nji h VAL 37 CO 0.01 0.36 -0.06 0.00 0.02 0.00 0.00 177.57 177.90 1nji h ALA 38 N 0.95 -0.16 0.88 1.67 0.00 -0.32 -1.80 119.26 120.48 1nji h ALA 38 Ca 0.15 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1nji h ALA 38 Cb 0.46 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1nji h ALA 38 CO 0.02 -0.59 -0.42 -0.44 0.00 0.00 0.00 179.25 177.82 1nji h ASP 39 N -0.17 -1.00 -0.81 0.00 3.32 -1.15 -2.47 116.42 114.14 1nji h ASP 39 Ca -0.02 0.03 0.19 0.00 0.02 0.00 0.00 57.03 57.25 1nji h ASP 39 Cb 0.13 0.26 -0.14 0.00 0.22 0.00 0.00 39.33 39.80 1nji h ASP 39 CO 0.03 -0.71 -0.03 0.00 -1.72 0.00 0.00 179.24 176.80 1nji h ALA 40 N -1.05 0.80 -0.68 3.45 0.00 -1.18 -0.63 119.26 119.98 1nji h ALA 40 Ca -0.12 0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1nji h ALA 40 Cb 0.90 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1nji h ALA 40 CO 0.20 -0.44 0.44 0.28 0.00 0.00 0.00 179.25 179.73 1nji h VAL 41 N 0.07 1.15 -0.46 0.00 2.07 -1.17 -1.60 116.25 116.32 1nji h VAL 41 Ca 0.44 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.60 1nji h VAL 41 Cb 0.78 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1nji h VAL 41 CO -0.74 0.16 0.07 -0.33 0.02 0.00 0.00 177.57 176.75 1nji h GLU 42 N 0.90 0.76 0.00 1.57 5.08 -0.67 -2.19 114.58 120.02 1nji h GLU 42 Ca 0.25 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1nji h GLU 42 Cb -0.08 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1nji h GLU 42 CO -0.07 0.78 -0.25 0.93 -1.00 0.00 0.00 179.01 179.41 1nji h GLU 43 N 0.62 0.00 0.03 2.33 5.08 -1.07 0.54 114.58 122.12 1nji h GLU 43 Ca 0.14 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.21 1nji h GLU 43 Cb 0.40 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1nji h GLU 43 CO 0.01 0.25 -1.57 1.96 -1.00 0.00 0.00 179.01 178.67 1nji h GLN 44 N 0.00 0.07 -0.00 2.33 1.08 -1.15 -3.39 115.11 114.05 1nji h GLN 44 Ca -0.00 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1nji h GLN 44 Cb 0.56 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1nji h GLN 44 CO 0.03 0.77 -0.00 0.66 -0.95 0.00 0.00 178.83 179.34 1nji n TYR 45 N -3.22 0.00 -3.29 2.96 4.02 -0.84 -5.04 117.16 111.75 1nji n TYR 45 Ca -0.15 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.64 1nji n TYR 45 Cb 1.03 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.36 1nji n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1nji n ASP 46 N 0.14 -6.83 -3.40 7.72 -0.08 0.19 -5.03 116.55 109.26 1nji n ASP 46 Ca 0.02 -0.42 -0.16 0.00 -1.51 0.00 0.00 54.79 52.72 1nji n ASP 46 Cb 0.07 -4.36 -0.06 0.00 2.34 0.00 0.00 41.12 39.11 1nji n ASP 46 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1nji s VAL 47 N -3.08 0.00 -0.26 5.18 -7.23 -1.21 -5.08 120.40 108.72 1nji s VAL 47 Ca 0.09 -1.81 -0.02 0.00 -1.81 0.00 0.00 61.98 58.44 1nji s VAL 47 Cb -0.02 -2.55 0.03 0.00 0.56 0.00 0.00 36.38 34.39 1nji s VAL 47 CO 0.79 0.00 -0.04 -0.89 -0.31 0.00 0.00 175.10 174.65 1nji s THR 48 N -3.35 2.95 -0.24 5.32 2.01 -1.26 -4.62 115.64 116.46 1nji s THR 48 Ca 0.36 -1.08 -0.25 0.00 0.31 0.00 0.00 61.69 61.02 1nji s THR 48 Cb 0.01 -2.54 -0.00 0.00 0.01 0.00 0.00 72.50 69.98 1nji s THR 48 CO 0.22 0.13 0.87 -0.69 -0.69 0.00 0.00 174.62 174.47 1nji s VAL 49 N 1.32 4.81 -0.14 3.82 1.01 -1.26 -1.27 120.40 128.68 1nji s VAL 49 Ca -0.01 1.67 -0.15 0.00 0.00 0.00 0.00 61.98 63.49 1nji s VAL 49 Cb -0.17 -4.16 -0.24 0.00 0.00 0.00 0.00 36.38 31.81 1nji s VAL 49 CO -0.03 -0.09 0.40 -0.33 0.00 0.00 0.00 175.10 175.05 1nji h GLU 50 N 7.62 0.18 -3.05 2.72 4.39 -1.10 -3.47 114.58 121.86 1nji h GLU 50 Ca -0.22 -0.30 -0.11 0.00 0.34 0.00 0.00 59.36 59.06 1nji h GLU 50 Cb 1.09 0.11 -0.20 0.00 -0.10 0.00 0.00 28.75 29.65 1nji h GLU 50 CO 0.89 1.14 -0.27 -1.14 -1.16 0.00 0.00 179.01 178.48 1nji s GLN 51 N -2.46 0.69 -0.04 2.33 0.74 -1.13 -5.01 119.66 114.77 1nji s GLN 51 Ca -0.23 -0.22 0.03 0.00 0.05 0.00 0.00 55.36 54.98 1nji s GLN 51 Cb 0.05 0.30 0.01 0.00 1.10 0.00 0.00 33.01 34.48 1nji s GLN 51 CO 0.71 -0.19 -0.11 0.08 -0.55 0.00 0.00 175.29 175.23 1nji s VAL 52 N -1.45 0.96 -0.07 1.34 1.01 -1.26 -0.63 120.40 120.30 1nji s VAL 52 Ca -0.13 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.47 1nji s VAL 52 Cb -0.05 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.47 1nji s VAL 52 CO 0.04 0.30 -0.19 0.20 0.00 0.00 0.00 175.10 175.45 1nji s ASN 53 N 0.39 2.49 0.37 3.32 0.02 -0.30 -4.95 114.94 116.29 1nji s ASN 53 Ca -0.08 -0.43 0.08 0.00 -1.02 0.00 0.00 52.86 51.42 1nji s ASN 53 Cb -0.12 -0.96 -0.05 0.00 0.02 0.00 0.00 41.25 40.14 1nji s ASN 53 CO 0.02 0.14 0.11 0.42 0.02 0.00 0.00 177.10 177.81 1nji s THR 54 N 0.27 2.57 -0.29 1.60 -4.23 -1.26 0.11 115.64 114.41 1nji s THR 54 Ca -0.11 -1.79 -0.15 0.00 -1.18 0.00 0.00 61.69 58.45 1nji s THR 54 Cb -0.15 -2.93 0.10 0.00 1.34 0.00 0.00 72.50 70.86 1nji s THR 54 CO 0.05 -0.11 0.77 -1.58 -0.54 0.00 0.00 174.62 173.21 1nji s GLN 55 N -3.83 0.60 -0.50 3.99 0.74 0.09 -4.97 119.66 115.78 1nji s GLN 55 Ca 0.38 1.09 -0.23 0.00 0.05 0.00 0.00 55.36 56.65 1nji s GLN 55 Cb 0.01 0.21 0.04 0.00 1.10 0.00 0.00 33.01 34.37 1nji s GLN 55 CO 0.21 -0.14 0.85 -0.80 -0.55 0.00 0.00 175.29 174.86 1nji s ASN 56 N 1.73 6.36 0.57 6.67 0.01 -1.26 0.86 114.94 129.87 1nji s ASN 56 Ca -0.09 -0.31 -0.14 0.00 -0.71 0.00 0.00 52.86 51.60 1nji s ASN 56 Cb -0.05 -2.40 -0.05 0.00 0.41 0.00 0.00 41.25 39.15 1nji s ASN 56 CO -0.19 -1.07 1.02 -0.89 -1.51 0.00 0.00 177.10 174.46 1nji s THR 57 N 3.54 4.43 -1.68 1.60 2.01 0.35 -4.93 115.64 120.96 1nji s THR 57 Ca 0.29 1.02 0.00 0.00 0.31 0.00 0.00 61.69 63.31 1nji s THR 57 Cb -0.13 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.70 1nji s THR 57 CO 0.20 -0.81 0.53 0.23 -0.69 0.00 0.00 174.62 174.08 1nji n MET 58 N -2.12 0.63 -0.00 4.92 2.81 -1.26 -1.11 117.12 121.00 1nji n MET 58 Ca 0.07 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 56.04 1nji n MET 58 Cb 0.54 -1.10 -0.10 0.00 -0.71 0.00 0.00 33.22 31.85 1nji n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1nji n ASP 59 N -0.28 0.81 0.00 7.83 10.43 -1.26 -4.96 116.55 129.11 1nji n ASP 59 Ca 0.00 -0.87 0.00 0.00 2.57 0.00 0.00 54.79 56.49 1nji n ASP 59 Cb 0.05 1.03 0.00 0.00 1.84 0.00 0.00 41.12 44.04 1nji n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1nji n GLY 60 N 1.40 0.58 3.79 0.44 0.00 -0.26 -5.07 105.19 106.07 1nji n GLY 60 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 1nji n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nji s GLU 61 N -0.82 2.26 -0.06 1.61 2.02 -1.26 -4.92 118.70 117.53 1nji s GLU 61 Ca 0.00 -1.90 -0.02 0.00 0.02 0.00 0.00 54.97 53.07 1nji s GLU 61 Cb 0.00 -2.01 -0.04 0.00 0.10 0.00 0.00 34.13 32.18 1nji s GLU 61 CO 0.00 -0.26 0.05 0.21 0.02 0.00 0.00 175.26 175.28 1nji s LYS 62 N -4.01 3.07 -0.10 1.61 2.20 -1.18 -0.50 119.74 120.84 1nji s LYS 62 Ca 0.37 -0.39 0.02 0.00 -0.36 0.00 0.00 55.97 55.61 1nji s LYS 62 Cb 0.02 -2.87 -0.01 0.00 -1.51 0.00 0.00 37.83 33.45 1nji s LYS 62 CO 0.21 0.70 -0.16 0.21 -0.36 0.00 0.00 175.35 175.94 1nji s LYS 63 N -1.19 3.04 -0.08 4.03 2.20 0.25 -1.01 119.74 126.99 1nji s LYS 63 Ca 0.17 -0.74 0.05 0.00 -0.36 0.00 0.00 55.97 55.08 1nji s LYS 63 Cb -0.12 -2.47 -0.00 0.00 -1.51 0.00 0.00 37.83 33.73 1nji s LYS 63 CO 0.06 0.32 -0.24 0.00 -0.36 0.00 0.00 175.35 175.14 1nji s ALA 64 N 0.05 2.09 -0.43 3.13 0.00 -0.57 -0.73 121.76 125.29 1nji s ALA 64 Ca -0.06 -0.96 -0.09 0.00 0.00 0.00 0.00 51.96 50.85 1nji s ALA 64 Cb -0.15 -0.73 0.09 0.00 0.00 0.00 0.00 23.12 22.34 1nji s ALA 64 CO 0.05 0.33 0.28 0.08 0.00 0.00 0.00 175.76 176.50 1nji s VAL 65 N 0.14 4.17 -0.31 0.00 1.01 0.12 -1.12 120.40 124.41 1nji s VAL 65 Ca -0.12 -1.55 -0.11 0.00 0.00 0.00 0.00 61.98 60.21 1nji s VAL 65 Cb -0.16 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1nji s VAL 65 CO 0.06 -0.59 0.17 -0.69 0.00 0.00 0.00 175.10 174.05 1nji s VAL 66 N 1.39 4.89 -0.07 2.92 1.01 0.80 -1.14 120.40 130.20 1nji s VAL 66 Ca 0.04 -0.23 -0.16 0.00 0.00 0.00 0.00 61.98 61.63 1nji s VAL 66 Cb -0.24 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 1nji s VAL 66 CO 0.01 0.11 0.43 -0.60 0.00 0.00 0.00 175.10 175.05 1nji s ARG 67 N 1.67 4.15 0.42 2.72 3.52 0.20 0.68 118.95 132.31 1nji s ARG 67 Ca 0.06 0.40 0.03 0.00 -0.13 0.00 0.00 55.73 56.09 1nji s ARG 67 Cb -0.17 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 29.88 1nji s ARG 67 CO 0.08 0.40 0.60 -0.51 -0.81 0.00 0.00 175.30 175.06 1nji s LEU 68 N -0.15 3.72 0.60 -0.88 1.43 -0.27 -0.58 118.68 122.55 1nji s LEU 68 Ca 0.24 0.01 -0.13 0.00 -1.03 0.00 0.00 54.13 53.22 1nji s LEU 68 Cb -0.16 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 1nji s LEU 68 CO 0.11 -0.66 1.03 -0.94 0.23 0.00 0.00 176.35 176.11 1nji s SER 69 N -4.24 6.14 0.52 2.29 1.04 -0.40 -4.63 113.70 114.43 1nji s SER 69 Ca 0.49 1.53 0.27 0.00 0.48 0.00 0.00 55.95 58.72 1nji s SER 69 Cb -0.10 -2.49 1.48 0.00 0.10 0.00 0.00 66.02 65.01 1nji s SER 69 CO 0.35 -0.92 1.81 -0.33 0.98 0.00 0.00 173.24 175.12 1nji h GLU 70 N 0.02 0.00 -0.01 4.02 5.08 -1.97 0.28 114.58 122.00 1nji h GLU 70 Ca -0.45 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.78 1nji h GLU 70 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1nji h GLU 70 CO 0.60 0.00 -0.59 0.22 -1.00 0.00 0.00 179.01 178.24 1nji h ASP 71 N 0.00 0.04 -2.57 1.42 1.82 -1.96 -3.44 116.42 111.73 1nji h ASP 71 Ca 0.00 -0.02 -0.55 0.00 -0.39 0.00 0.00 57.03 56.07 1nji h ASP 71 Cb 0.40 -0.01 -0.06 0.00 0.68 0.00 0.00 39.33 40.35 1nji h ASP 71 CO 0.00 0.62 -0.54 -1.81 -1.61 0.00 0.00 179.24 175.90 1nji s ASP 72 N -6.86 5.67 -0.26 2.28 1.01 0.97 -5.10 116.67 114.38 1nji s ASP 72 Ca -0.02 -0.10 0.02 0.00 0.71 0.00 0.00 52.55 53.16 1nji s ASP 72 Cb 0.13 -1.52 0.07 0.00 1.01 0.00 0.00 42.92 42.61 1nji s ASP 72 CO 0.76 0.04 -0.04 -0.62 0.21 0.00 0.00 175.17 175.52 1nji s ASP 73 N -3.30 4.18 0.21 0.27 -1.08 -1.26 -4.66 116.67 111.03 1nji s ASP 73 Ca 0.32 -1.43 -0.11 0.00 -0.52 0.00 0.00 52.55 50.81 1nji s ASP 73 Cb -0.10 -1.33 0.28 0.00 -1.46 0.00 0.00 42.92 40.31 1nji s ASP 73 CO 0.25 -0.26 1.68 0.00 0.52 0.00 0.00 175.17 177.36 1nji h ALA 74 N 7.86 0.63 -0.85 3.66 0.00 -1.84 -1.07 119.26 127.65 1nji h ALA 74 Ca -0.16 0.16 0.18 0.00 0.00 0.00 0.00 54.91 55.10 1nji h ALA 74 Cb 1.05 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 19.00 1nji h ALA 74 CO 0.45 -0.37 0.38 1.96 0.00 0.00 0.00 179.25 181.67 1nji h GLN 75 N 0.16 0.46 -0.00 0.00 4.20 -1.94 -0.83 115.11 117.16 1nji h GLN 75 Ca 0.31 -0.03 -0.22 0.00 0.06 0.00 0.00 58.65 58.77 1nji h GLN 75 Cb 0.49 -0.10 0.02 0.00 0.30 0.00 0.00 27.48 28.18 1nji h GLN 75 CO -0.47 0.30 -0.87 0.93 -0.67 0.00 0.00 178.83 178.06 1nji h GLU 76 N 0.47 0.59 -0.70 1.46 5.08 -1.65 -2.16 114.58 117.68 1nji h GLU 76 Ca 0.49 -0.63 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1nji h GLU 76 Cb 0.83 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.22 1nji h GLU 76 CO -0.45 1.24 0.46 0.28 -1.00 0.00 0.00 179.01 179.54 1nji h VAL 77 N 0.20 1.15 0.00 3.13 2.07 -0.72 -2.39 116.25 119.69 1nji h VAL 77 Ca -0.11 -0.31 -0.18 0.00 0.82 0.00 0.00 66.70 66.92 1nji h VAL 77 Cb 1.54 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1nji h VAL 77 CO 0.17 0.17 -0.85 0.00 0.02 0.00 0.00 177.57 177.07 1nji h ALA 78 N 1.58 0.46 0.00 1.67 0.00 -1.19 -3.29 119.26 118.48 1nji h ALA 78 Ca 0.26 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1nji h ALA 78 Cb -0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1nji h ALA 78 CO -0.06 1.07 -0.06 0.66 0.00 0.00 0.00 179.25 180.86 1nji h SER 79 N 0.00 0.00 -0.05 0.00 4.64 -0.84 -2.85 113.55 114.44 1nji h SER 79 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1nji h SER 79 Cb 1.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 1nji h SER 79 CO 0.11 0.06 0.00 -2.11 -0.87 0.00 0.00 176.83 174.02 1nji n ARG 80 N -3.28 1.26 0.00 4.77 1.85 -1.20 -5.10 116.66 114.96 1nji n ARG 80 Ca -0.01 -0.39 0.00 0.00 -1.00 0.00 0.00 57.85 56.45 1nji n ARG 80 Cb 0.24 -1.34 0.00 0.00 -1.05 0.00 0.00 32.46 30.31 1nji n ARG 80 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06