#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nji s ARG 8 N 0.00 0.39 -0.17 5.31 1.70 -0.65 -4.99 118.95 120.54 1nji s ARG 8 Ca 0.00 -0.21 -0.05 0.00 -0.47 0.00 0.00 55.73 55.00 1nji s ARG 8 Cb 0.00 0.14 -0.03 0.00 -0.57 0.00 0.00 34.95 34.49 1nji s ARG 8 CO 0.00 -0.18 -0.00 0.08 -1.08 0.00 0.00 175.30 174.12 1nji s VAL 9 N -2.43 4.17 0.02 4.99 1.01 -1.26 -1.93 120.40 124.97 1nji s VAL 9 Ca 0.14 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.91 1nji s VAL 9 Cb 0.04 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 1nji s VAL 9 CO -0.04 0.47 -0.13 -0.69 0.00 0.00 0.00 175.10 174.71 1nji s VAL 10 N 0.49 1.06 -0.37 2.92 1.01 0.38 -4.97 120.40 120.93 1nji s VAL 10 Ca -0.01 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 1nji s VAL 10 Cb -0.14 -0.94 -0.00 0.00 0.00 0.00 0.00 36.38 35.30 1nji s VAL 10 CO 0.02 0.09 0.35 -0.89 0.00 0.00 0.00 175.10 174.67 1nji s THR 11 N -0.68 5.18 -0.25 3.92 2.01 -1.26 0.20 115.64 124.77 1nji s THR 11 Ca 0.02 -0.18 -0.15 0.00 0.31 0.00 0.00 61.69 61.69 1nji s THR 11 Cb -0.07 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 1nji s THR 11 CO 0.01 -0.18 0.38 -0.63 -0.69 0.00 0.00 174.62 173.51 1nji s ILE 12 N 1.95 5.18 0.24 1.82 -1.09 -0.52 -4.94 121.20 123.85 1nji s ILE 12 Ca 0.10 0.62 -0.26 0.00 -2.23 0.00 0.00 60.65 58.88 1nji s ILE 12 Cb -0.17 -3.71 -0.09 0.00 -1.58 0.00 0.00 42.46 36.91 1nji s ILE 12 CO 0.12 0.19 0.87 -2.16 -1.23 0.00 0.00 174.94 172.73 1nji s PRO 13 N 1.79 4.63 -0.14 2.79 0.04 -1.26 -2.20 135.00 140.64 1nji s PRO 13 Ca 0.16 1.28 0.14 0.00 0.04 0.00 0.00 61.00 62.63 1nji s PRO 13 Cb -0.15 -3.08 0.35 0.00 0.04 0.00 0.00 34.50 31.66 1nji s PRO 13 CO 0.09 0.44 1.17 1.28 0.04 0.00 0.00 177.00 180.03 1nji n LEU 14 N 1.13 2.20 0.23 -3.56 4.77 0.82 -4.75 117.00 117.84 1nji n LEU 14 Ca -0.02 -3.21 0.07 0.00 -0.03 0.00 0.00 56.01 52.82 1nji n LEU 14 Cb 0.49 -0.40 0.55 0.00 -2.33 0.00 0.00 43.42 41.73 1nji n LEU 14 CO 0.46 0.99 0.93 0.08 -1.33 0.00 0.00 177.39 178.53 1nji h ARG 15 N 0.59 0.00 0.00 3.23 0.11 -1.91 -2.40 114.38 114.00 1nji h ARG 15 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1nji h ARG 15 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 1nji h ARG 15 CO 0.01 0.15 0.00 -0.25 0.10 0.00 0.00 179.97 179.98 1nji n ASP 16 N -4.27 0.00 0.01 0.08 8.00 -1.26 -2.38 116.55 116.74 1nji n ASP 16 Ca -0.02 0.20 0.13 0.00 0.71 0.00 0.00 54.79 55.80 1nji n ASP 16 Cb 0.22 -0.37 0.55 0.00 -0.02 0.00 0.00 41.12 41.50 1nji n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nji n ALA 17 N -1.37 2.21 0.69 2.24 0.00 -0.90 -2.87 120.51 120.50 1nji n ALA 17 Ca 0.08 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.56 1nji n ALA 17 Cb 0.19 -1.43 0.47 0.00 0.00 0.00 0.00 19.45 18.68 1nji n ALA 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1nji n ARG 18 N -1.58 0.16 0.22 0.00 1.74 -1.00 -2.69 116.66 113.50 1nji n ARG 18 Ca 0.06 0.19 0.11 0.00 -0.77 0.00 0.00 57.85 57.44 1nji n ARG 18 Cb 0.32 -1.71 0.31 0.00 -1.02 0.00 0.00 32.46 30.36 1nji n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nji h ALA 19 N 2.62 0.94 -2.45 7.54 0.00 -1.75 -3.44 119.26 122.72 1nji h ALA 19 Ca 0.00 -0.12 -0.52 0.00 0.00 0.00 0.00 54.91 54.27 1nji h ALA 19 Cb 0.58 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1nji h ALA 19 CO 0.00 0.16 -0.03 -2.00 0.00 0.00 0.00 179.25 177.38 1nji s GLU 20 N -3.34 3.90 0.26 0.00 2.56 -1.10 -5.01 118.70 115.96 1nji s GLU 20 Ca 0.04 0.45 -0.30 0.00 0.00 0.00 0.00 54.97 55.15 1nji s GLU 20 Cb 0.07 -2.60 -0.14 0.00 2.00 0.00 0.00 34.13 33.47 1nji s GLU 20 CO 0.65 0.28 1.32 -0.35 -0.56 0.00 0.00 175.26 176.59 1nji n PRO 21 N -0.12 1.88 -0.27 4.30 -0.04 -1.26 -4.83 135.00 134.65 1nji n PRO 21 Ca 0.01 0.67 0.08 0.00 -0.04 0.00 0.00 63.50 64.22 1nji n PRO 21 Cb 0.53 -2.26 0.22 0.00 -0.04 0.00 0.00 33.50 31.94 1nji n PRO 21 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1nji h ASN 22 N 3.57 -0.15 0.00 3.54 2.35 -1.90 0.21 115.58 123.21 1nji h ASN 22 Ca -0.44 0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1nji h ASN 22 Cb 1.29 0.29 0.00 0.00 0.05 0.00 0.00 38.32 39.95 1nji h ASN 22 CO 0.71 -0.15 0.00 0.00 -1.65 0.00 0.00 177.43 176.34 1nji n HIS 23 N -5.27 0.00 -2.17 1.19 1.44 -1.26 -2.54 115.22 106.61 1nji n HIS 23 Ca 0.17 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.92 1nji n HIS 23 Cb 0.56 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.73 1nji n HIS 23 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1nji n LYS 24 N -0.77 0.41 0.23 -1.40 5.02 0.06 -4.54 118.16 117.17 1nji n LYS 24 Ca 0.04 -2.18 -0.15 0.00 -2.02 0.00 0.00 58.31 53.99 1nji n LYS 24 Cb 0.02 -0.49 -0.08 0.00 -0.02 0.00 0.00 35.03 34.46 1nji n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nji h ARG 25 N 0.83 -0.52 -0.96 1.97 3.08 -1.11 -3.14 114.38 114.54 1nji h ARG 25 Ca -0.14 0.04 0.17 0.00 0.07 0.00 0.00 59.98 60.11 1nji h ARG 25 Cb 1.60 0.12 -0.17 0.00 0.08 0.00 0.00 29.97 31.60 1nji h ARG 25 CO 0.06 -0.31 -0.31 0.00 -1.07 0.00 0.00 179.97 178.34 1nji n ALA 26 N -2.36 0.05 -0.06 0.04 0.00 -0.63 0.38 120.51 117.94 1nji n ALA 26 Ca -0.11 1.00 -0.10 0.00 0.00 0.00 0.00 53.44 54.23 1nji n ALA 26 Cb 0.24 -0.53 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 1nji n ALA 26 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1nji h ASP 27 N 0.00 0.27 -0.56 0.00 3.45 -1.83 -0.91 116.42 116.84 1nji h ASP 27 Ca 0.39 -0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.80 1nji h ASP 27 Cb 0.63 -0.07 -0.03 0.00 -0.56 0.00 0.00 39.33 39.31 1nji h ASP 27 CO -0.97 0.22 0.27 0.50 -1.57 0.00 0.00 179.24 177.69 1nji h LYS 28 N 0.30 0.80 -0.01 3.56 1.63 -0.45 -2.43 116.57 119.97 1nji h LYS 28 Ca 0.08 -0.12 0.03 0.00 -0.85 0.00 0.00 60.65 59.79 1nji h LYS 28 Cb -0.00 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.44 1nji h LYS 28 CO -0.02 0.66 -0.20 0.00 -3.45 0.00 0.00 179.45 176.44 1nji h ALA 29 N 1.10 -0.25 -0.57 5.00 0.00 0.23 0.35 119.26 125.12 1nji h ALA 29 Ca 0.19 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.27 1nji h ALA 29 Cb 0.12 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1nji h ALA 29 CO -0.02 -0.70 0.48 1.98 0.00 0.00 0.00 179.25 180.99 1nji h MET 30 N -0.32 0.00 0.14 0.00 1.85 -0.79 0.27 114.93 116.08 1nji h MET 30 Ca 0.06 0.00 -0.19 0.00 -0.61 0.00 0.00 59.70 58.96 1nji h MET 30 Cb 0.40 0.00 0.02 0.00 0.43 0.00 0.00 31.60 32.45 1nji h MET 30 CO -0.19 0.00 -0.86 0.82 -0.40 0.00 0.00 176.91 176.27 1nji h ILE 31 N 0.00 1.48 -0.82 1.77 2.04 -0.62 -3.14 117.51 118.21 1nji h ILE 31 Ca 0.27 -2.53 0.09 0.00 1.00 0.00 0.00 64.86 63.69 1nji h ILE 31 Cb 1.23 3.17 -0.07 0.00 -0.74 0.00 0.00 36.82 40.41 1nji h ILE 31 CO -0.00 0.72 0.47 -0.07 0.00 0.00 0.00 178.15 179.27 1nji h LEU 32 N -0.36 0.67 -1.21 1.44 3.38 0.95 0.04 115.31 120.23 1nji h LEU 32 Ca -0.15 0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1nji h LEU 32 Cb 1.66 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.29 1nji h LEU 32 CO 0.15 0.39 0.53 0.40 0.09 0.00 0.00 178.44 180.00 1nji h ILE 33 N 0.79 1.20 -0.01 1.22 2.04 -1.24 0.14 117.51 121.65 1nji h ILE 33 Ca 0.40 -0.37 -0.16 0.00 1.00 0.00 0.00 64.86 65.72 1nji h ILE 33 Cb 0.36 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1nji h ILE 33 CO -0.25 0.20 -0.75 -0.09 0.00 0.00 0.00 178.15 177.26 1nji h ARG 34 N 1.08 0.08 0.00 2.37 2.43 -1.03 -2.77 114.38 116.54 1nji h ARG 34 Ca 0.30 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 59.21 1nji h ARG 34 Cb -0.11 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1nji h ARG 34 CO -0.07 0.79 -0.90 0.93 -1.51 0.00 0.00 179.97 179.21 1nji h GLU 35 N 0.05 0.00 0.03 0.20 5.08 -0.40 -2.62 114.58 116.92 1nji h GLU 35 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1nji h GLU 35 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1nji h GLU 35 CO 0.10 0.90 -0.02 1.25 -1.00 0.00 0.00 179.01 180.25 1nji h HIS 36 N 0.00 -0.04 -0.79 4.33 2.76 -0.94 -2.33 115.15 118.14 1nji h HIS 36 Ca -0.01 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 1nji h HIS 36 Cb 1.62 0.01 -0.04 0.00 1.55 0.00 0.00 27.41 30.56 1nji h HIS 36 CO 0.00 0.34 0.36 -0.07 -1.30 0.00 0.00 177.93 177.26 1nji h LEU 37 N -0.43 1.04 -1.15 0.26 3.38 -1.57 -0.86 115.31 115.99 1nji h LEU 37 Ca -0.00 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1nji h LEU 37 Cb 0.40 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1nji h LEU 37 CO 0.01 0.89 0.55 0.00 0.09 0.00 0.00 178.44 179.98 1nji h ALA 38 N 1.26 1.38 0.01 1.53 0.00 -1.41 -1.09 119.26 120.95 1nji h ALA 38 Ca 0.27 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1nji h ALA 38 Cb 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1nji h ALA 38 CO -0.03 0.57 -0.01 -0.22 0.00 0.00 0.00 179.25 179.56 1nji h LYS 39 N 1.15 -0.02 0.00 0.00 3.64 -1.01 0.57 116.57 120.90 1nji h LYS 39 Ca 0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1nji h LYS 39 Cb -0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1nji h LYS 39 CO -0.06 0.72 0.00 0.45 -2.27 0.00 0.00 179.45 178.28 1nji h HIS 40 N -0.96 0.00 -0.17 1.91 3.86 -1.16 -2.45 115.15 116.18 1nji h HIS 40 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1nji h HIS 40 Cb 0.74 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.21 1nji h HIS 40 CO 0.20 0.00 0.00 1.19 0.86 0.00 0.00 177.93 180.18 1nji n PHE 41 N -2.53 0.49 -3.75 2.45 3.01 -0.41 -5.02 117.46 111.70 1nji n PHE 41 Ca 0.01 -0.80 -0.25 0.00 1.01 0.00 0.00 57.45 57.42 1nji n PHE 41 Cb 0.24 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 1nji n PHE 41 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1nji n SER 42 N -0.58 -4.43 -3.95 4.37 7.64 -0.92 -4.97 113.62 110.78 1nji n SER 42 Ca 0.16 -0.95 -0.10 0.00 1.01 0.00 0.00 58.87 58.99 1nji n SER 42 Cb 0.67 -1.49 -0.07 0.00 -1.01 0.00 0.00 64.21 62.31 1nji n SER 42 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1nji s VAL 43 N -2.98 0.07 0.27 0.44 1.01 0.18 -4.99 120.40 114.40 1nji s VAL 43 Ca 0.03 -1.36 -0.28 0.00 0.00 0.00 0.00 61.98 60.37 1nji s VAL 43 Cb -0.02 -1.83 -0.09 0.00 0.00 0.00 0.00 36.38 34.44 1nji s VAL 43 CO 0.85 -0.30 0.93 -1.81 0.00 0.00 0.00 175.10 174.78 1nji s ASP 44 N -2.96 7.50 0.63 3.32 1.11 -1.26 -4.46 116.67 120.55 1nji s ASP 44 Ca 0.17 1.89 0.32 0.00 0.18 0.00 0.00 52.55 55.10 1nji s ASP 44 Cb 0.03 -2.59 1.77 0.00 1.07 0.00 0.00 42.92 43.20 1nji s ASP 44 CO -0.00 0.07 2.08 -0.33 1.18 0.00 0.00 175.17 178.16 1nji h GLU 45 N 3.74 0.00 -0.02 8.23 5.08 -1.89 0.41 114.58 130.12 1nji h GLU 45 Ca -0.46 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.79 1nji h GLU 45 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1nji h GLU 45 CO 0.67 0.00 -0.52 -0.44 -1.00 0.00 0.00 179.01 177.72 1nji h ASP 46 N 0.00 0.05 0.52 1.42 3.32 -1.96 -3.09 116.42 116.68 1nji h ASP 46 Ca 0.06 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1nji h ASP 46 Cb 0.52 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1nji h ASP 46 CO -0.00 0.56 -0.17 0.00 -1.72 0.00 0.00 179.24 177.91 1nji n ALA 47 N -2.45 2.84 -2.65 3.45 0.00 0.14 -4.83 120.51 117.01 1nji n ALA 47 Ca -0.02 -0.25 -0.42 0.00 0.00 0.00 0.00 53.44 52.76 1nji n ALA 47 Cb 0.53 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.63 1nji n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nji s VAL 48 N -2.69 4.86 -0.20 0.00 1.01 -1.17 -2.69 120.40 119.51 1nji s VAL 48 Ca 0.22 1.56 -0.05 0.00 0.00 0.00 0.00 61.98 63.71 1nji s VAL 48 Cb 0.19 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1nji s VAL 48 CO 0.53 -0.04 -0.01 -0.60 0.00 0.00 0.00 175.10 174.98 1nji s ARG 49 N 2.65 3.55 -0.26 2.72 3.52 0.08 -4.99 118.95 126.23 1nji s ARG 49 Ca 0.35 -0.55 -0.10 0.00 -0.13 0.00 0.00 55.73 55.31 1nji s ARG 49 Cb -0.16 -3.05 -0.04 0.00 -1.56 0.00 0.00 34.95 30.14 1nji s ARG 49 CO 0.08 -0.04 0.14 -0.51 -0.81 0.00 0.00 175.30 174.17 1nji s LEU 50 N 1.11 3.82 0.25 -0.88 1.43 -1.26 -1.09 118.68 122.06 1nji s LEU 50 Ca 0.02 -0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 52.76 1nji s LEU 50 Cb -0.14 -2.04 -0.10 0.00 0.03 0.00 0.00 46.19 43.93 1nji s LEU 50 CO 0.01 -0.03 1.39 -0.62 0.23 0.00 0.00 176.35 177.33 1nji s ASP 51 N 1.60 6.73 0.51 2.29 -1.08 0.13 -4.84 116.67 122.00 1nji s ASP 51 Ca 0.07 2.61 0.45 0.00 -0.52 0.00 0.00 52.55 55.16 1nji s ASP 51 Cb -0.15 -2.62 1.53 0.00 -1.46 0.00 0.00 42.92 40.22 1nji s ASP 51 CO 0.08 -0.64 1.40 -2.65 0.52 0.00 0.00 175.17 173.88 1nji n PRO 52 N 2.15 0.00 -0.22 4.34 -0.02 -1.26 0.34 135.00 140.33 1nji n PRO 52 Ca 0.06 0.98 0.02 0.00 -2.02 0.00 0.00 63.50 62.54 1nji n PRO 52 Cb 0.41 -2.28 0.14 0.00 -0.02 0.00 0.00 33.50 31.75 1nji n PRO 52 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1nji h SER 53 N 0.00 0.16 -0.64 2.55 4.64 -1.93 0.22 113.55 118.54 1nji h SER 53 Ca 0.83 0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 62.22 1nji h SER 53 Cb 3.41 0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 65.57 1nji h SER 53 CO -0.01 0.07 0.25 0.40 -0.87 0.00 0.00 176.83 176.68 1nji h ILE 54 N 0.36 1.24 0.26 0.95 2.04 -0.45 -1.23 117.51 120.68 1nji h ILE 54 Ca 0.35 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1nji h ILE 54 Cb 0.51 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1nji h ILE 54 CO -0.38 0.29 -0.13 -1.13 0.00 0.00 0.00 178.15 176.80 1nji h ASN 55 N 0.90 -0.30 -0.60 1.72 -1.24 -1.00 -1.98 115.58 113.09 1nji h ASN 55 Ca 0.21 -0.03 0.05 0.00 0.71 0.00 0.00 56.30 57.24 1nji h ASN 55 Cb 0.21 0.08 -0.03 0.00 0.73 0.00 0.00 38.32 39.30 1nji h ASN 55 CO -0.02 -0.16 0.40 -0.33 -1.29 0.00 0.00 177.43 176.03 1nji h GLU 56 N -0.41 0.61 -0.16 6.67 5.08 -0.57 -0.82 114.58 124.98 1nji h GLU 56 Ca -0.04 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1nji h GLU 56 Cb 0.31 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1nji h GLU 56 CO 0.06 0.40 0.09 0.00 -1.00 0.00 0.00 179.01 178.56 1nji h ALA 57 N 1.67 0.21 0.00 3.43 0.00 -0.84 0.97 119.26 124.69 1nji h ALA 57 Ca 0.25 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1nji h ALA 57 Cb 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1nji h ALA 57 CO -0.07 -0.26 -0.29 0.00 0.00 0.00 0.00 179.25 178.63 1nji h ALA 58 N 0.98 1.26 -0.15 0.00 0.00 -0.53 -2.87 119.26 117.95 1nji h ALA 58 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1nji h ALA 58 Cb 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1nji h ALA 58 CO -0.01 0.36 0.00 0.91 0.00 0.00 0.00 179.25 180.52 1nji n TRP 59 N -3.81 0.16 -0.32 0.00 7.02 -0.42 -4.63 117.44 115.45 1nji n TRP 59 Ca -0.01 -0.08 0.10 0.00 -1.02 0.00 0.00 57.50 56.48 1nji n TRP 59 Cb 0.38 0.00 0.22 0.00 -2.42 0.00 0.00 31.31 29.49 1nji n TRP 59 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1nji h ALA 60 N 4.65 0.95 -0.77 6.99 0.00 -0.58 -0.58 119.26 129.93 1nji h ALA 60 Ca 0.00 0.32 -0.37 0.00 0.00 0.00 0.00 54.91 54.86 1nji h ALA 60 Cb 1.00 0.58 -0.22 0.00 0.00 0.00 0.00 17.79 19.15 1nji h ALA 60 CO 0.00 -0.49 0.38 0.54 0.00 0.00 0.00 179.25 179.68 1nji n ARG 61 N -5.48 2.35 0.00 0.00 1.74 -1.26 -5.06 116.66 108.95 1nji n ARG 61 Ca 0.19 -3.07 0.00 0.00 -0.77 0.00 0.00 57.85 54.20 1nji n ARG 61 Cb 0.62 -2.08 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1nji n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nji n GLY 62 N -0.99 0.49 0.23 -0.13 0.00 -0.23 -4.08 105.19 100.48 1nji n GLY 62 Ca 0.49 -1.95 0.15 0.00 0.00 0.00 0.00 46.02 44.70 1nji n GLY 62 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nji h ARG 63 N 0.00 0.00 0.00 1.61 2.43 -1.90 -3.28 114.38 113.24 1nji h ARG 63 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1nji h ARG 63 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1nji h ARG 63 CO 0.00 0.00 -1.26 0.00 -1.51 0.00 0.00 179.97 177.20 1nji n ALA 64 N -2.02 3.58 -3.43 2.80 0.00 -1.26 -1.61 120.51 118.56 1nji n ALA 64 Ca 0.02 -0.47 -0.33 0.00 0.00 0.00 0.00 53.44 52.66 1nji n ALA 64 Cb 0.37 -0.63 -0.06 0.00 0.00 0.00 0.00 19.45 19.13 1nji n ALA 64 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1nji n ASN 65 N -1.73 4.42 -4.83 0.00 3.02 -1.24 -4.75 115.26 110.15 1nji n ASN 65 Ca 0.00 -3.33 -0.36 0.00 -0.03 0.00 0.00 54.58 50.86 1nji n ASN 65 Cb 0.36 -0.92 -0.06 0.00 -0.61 0.00 0.00 39.78 38.55 1nji n ASN 65 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1nji s THR 66 N -2.16 4.68 0.57 3.41 2.01 -1.26 -4.29 115.64 118.58 1nji s THR 66 Ca 0.33 1.11 -0.19 0.00 0.31 0.00 0.00 61.69 63.25 1nji s THR 66 Cb 0.05 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 1nji s THR 66 CO -0.03 0.22 1.15 -2.16 -0.69 0.00 0.00 174.62 173.10 1nji s PRO 67 N -1.97 3.21 0.54 4.92 0.04 -1.26 -4.94 135.00 135.55 1nji s PRO 67 Ca 0.41 1.64 0.33 0.00 0.04 0.00 0.00 61.00 63.43 1nji s PRO 67 Cb -0.16 -1.98 1.32 0.00 0.04 0.00 0.00 34.50 33.72 1nji s PRO 67 CO 0.20 -0.97 1.97 0.66 0.04 0.00 0.00 177.00 178.90 1nji h SER 68 N 1.02 0.00 -5.66 6.66 4.64 -1.96 -3.44 113.55 114.82 1nji h SER 68 Ca -0.50 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.51 1nji h SER 68 Cb 1.27 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.23 1nji h SER 68 CO 0.56 0.01 -0.50 -0.54 -0.87 0.00 0.00 176.83 175.49 1nji s LYS 69 N -3.66 1.48 -0.30 4.77 1.02 -1.26 -0.13 119.74 121.66 1nji s LYS 69 Ca 0.01 -1.75 -0.13 0.00 0.02 0.00 0.00 55.97 54.13 1nji s LYS 69 Cb 0.09 0.32 0.15 0.00 -0.52 0.00 0.00 37.83 37.87 1nji s LYS 69 CO 0.55 -0.53 0.87 -1.50 -0.92 0.00 0.00 175.35 173.82 1nji s ILE 70 N -3.81 -0.68 -0.02 2.17 2.07 -0.93 -4.93 121.20 115.07 1nji s ILE 70 Ca 0.38 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.32 1nji s ILE 70 Cb 0.04 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.61 1nji s ILE 70 CO 0.18 0.00 1.00 -0.13 -1.91 0.00 0.00 174.94 174.08 1nji s ARG 71 N 2.61 4.51 -0.03 3.50 0.52 -1.26 -1.44 118.95 127.36 1nji s ARG 71 Ca -0.04 1.44 0.02 0.00 -0.52 0.00 0.00 55.73 56.63 1nji s ARG 71 Cb -0.08 -3.48 0.01 0.00 0.52 0.00 0.00 34.95 31.92 1nji s ARG 71 CO -0.18 -0.14 -0.06 0.54 0.02 0.00 0.00 175.30 175.48 1nji s VAL 72 N 1.29 0.62 -0.28 3.52 0.11 0.13 -3.75 120.40 122.04 1nji s VAL 72 Ca 0.52 -0.22 -0.13 0.00 -2.93 0.00 0.00 61.98 59.21 1nji s VAL 72 Cb -0.21 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 1nji s VAL 72 CO 0.25 0.22 0.28 -0.60 -3.33 0.00 0.00 175.10 171.92 1nji s ARG 73 N 0.53 3.93 0.08 1.54 3.52 -0.21 -0.47 118.95 127.87 1nji s ARG 73 Ca -0.08 -0.19 0.08 0.00 -0.13 0.00 0.00 55.73 55.41 1nji s ARG 73 Cb -0.11 -3.68 -0.03 0.00 -1.56 0.00 0.00 34.95 29.57 1nji s ARG 73 CO 0.00 -0.26 -0.20 0.00 -0.81 0.00 0.00 175.30 174.04 1nji s ALA 74 N 1.90 1.71 0.11 6.12 0.00 -0.81 -1.08 121.76 129.70 1nji s ALA 74 Ca 0.11 -1.17 0.09 0.00 0.00 0.00 0.00 51.96 50.99 1nji s ALA 74 Cb -0.16 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 1nji s ALA 74 CO 0.11 0.34 -0.22 0.00 0.00 0.00 0.00 175.76 175.99 1nji s ALA 75 N -1.09 1.89 -0.02 0.00 0.00 -0.10 -1.64 121.76 120.80 1nji s ALA 75 Ca 0.06 -1.28 0.06 0.00 0.00 0.00 0.00 51.96 50.80 1nji s ALA 75 Cb -0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 1nji s ALA 75 CO 0.03 0.39 -0.21 0.50 0.00 0.00 0.00 175.76 176.47 1nji s ARG 76 N -1.92 1.78 0.00 0.00 3.52 -1.26 -1.74 118.95 119.34 1nji s ARG 76 Ca 0.08 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.92 1nji s ARG 76 Cb -0.10 -1.69 0.00 0.00 -1.56 0.00 0.00 34.95 31.60 1nji s ARG 76 CO 0.04 0.43 0.00 1.97 -0.81 0.00 0.00 175.30 176.94 1nji n PHE 77 N 2.64 0.00 -1.06 5.12 1.16 -0.55 -4.72 117.46 120.04 1nji n PHE 77 Ca -0.16 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.45 1nji n PHE 77 Cb 0.53 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.39 1nji n PHE 77 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1nji n GLU 78 N 0.00 -0.45 0.00 3.97 2.13 -1.26 -1.55 120.64 123.48 1nji n GLU 78 Ca 0.00 0.29 0.14 0.00 0.66 0.00 0.00 57.16 58.26 1nji n GLU 78 Cb 0.00 -0.55 0.65 0.00 0.27 0.00 0.00 31.44 31.81 1nji n GLU 78 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1nji n GLU 79 N -1.37 0.47 0.00 5.31 -0.00 -1.26 -3.63 120.64 120.16 1nji n GLU 79 Ca 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 57.16 57.06 1nji n GLU 79 Cb 0.10 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 30.04 1nji n GLU 79 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1nji n GLU 80 N -1.17 5.46 -0.23 3.44 2.13 -1.26 -5.11 120.64 123.90 1nji n GLU 80 Ca 0.13 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1nji n GLU 80 Cb 0.27 -0.41 0.00 0.00 0.27 0.00 0.00 31.44 31.57 1nji n GLU 80 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nji n GLY 81 N 0.78 -2.32 3.74 8.31 0.00 -1.23 -4.99 105.19 109.48 1nji n GLY 81 Ca 0.00 -0.96 -0.04 0.00 0.00 0.00 0.00 46.02 45.02 1nji n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nji s GLU 82 N -3.50 1.19 -0.03 1.61 -1.05 -0.59 -4.80 118.70 111.53 1nji s GLU 82 Ca 0.00 -0.64 0.01 0.00 -0.15 0.00 0.00 54.97 54.19 1nji s GLU 82 Cb 0.00 0.41 0.01 0.00 -0.44 0.00 0.00 34.13 34.11 1nji s GLU 82 CO 0.00 -0.54 -0.05 0.00 0.95 0.00 0.00 175.26 175.62 1nji s ALA 83 N -3.29 0.61 -0.11 -0.84 0.00 -1.09 -1.49 121.76 115.54 1nji s ALA 83 Ca 0.12 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.96 1nji s ALA 83 Cb -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1nji s ALA 83 CO 0.01 0.05 -0.16 0.42 0.00 0.00 0.00 175.76 176.09 1nji s ILE 84 N 0.50 2.83 0.07 0.00 1.01 -0.71 -0.74 121.20 124.16 1nji s ILE 84 Ca -0.06 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.87 1nji s ILE 84 Cb -0.10 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 1nji s ILE 84 CO 0.00 0.54 -0.09 -0.69 0.00 0.00 0.00 174.94 174.70 1nji s VAL 85 N 0.22 0.77 0.25 2.92 1.01 -0.25 -0.93 120.40 124.40 1nji s VAL 85 Ca -0.10 -1.43 -0.09 0.00 0.00 0.00 0.00 61.98 60.35 1nji s VAL 85 Cb -0.16 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 1nji s VAL 85 CO 0.06 -0.50 0.43 -1.83 0.00 0.00 0.00 175.10 173.25 1nji s GLU 86 N -2.37 1.55 1.11 2.72 -1.05 -0.24 0.18 118.70 120.60 1nji s GLU 86 Ca -0.00 -1.39 -0.19 0.00 -0.15 0.00 0.00 54.97 53.24 1nji s GLU 86 Cb -0.05 0.44 0.29 0.00 -0.44 0.00 0.00 34.13 34.36 1nji s GLU 86 CO -0.00 -0.63 0.75 0.00 0.95 0.00 0.00 175.26 176.33 1nji n ALA 87 N -0.39 -3.73 -1.02 -0.84 0.00 -1.26 -1.05 120.51 112.22 1nji n ALA 87 Ca -0.01 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.18 1nji n ALA 87 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1nji n ALA 87 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89