#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9m s ARG 8 N 0.00 0.42 -0.17 5.31 1.70 -0.56 -4.98 118.95 120.67 1k9m s ARG 8 Ca 0.00 -0.24 -0.04 0.00 -0.47 0.00 0.00 55.73 54.97 1k9m s ARG 8 Cb 0.00 0.14 -0.03 0.00 -0.57 0.00 0.00 34.95 34.49 1k9m s ARG 8 CO 0.00 -0.20 -0.02 0.08 -1.08 0.00 0.00 175.30 174.09 1k9m s VAL 9 N -2.39 4.04 0.04 4.99 1.01 -1.26 -1.88 120.40 124.95 1k9m s VAL 9 Ca 0.16 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.89 1k9m s VAL 9 Cb 0.04 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 1k9m s VAL 9 CO -0.03 0.48 -0.15 -0.69 0.00 0.00 0.00 175.10 174.71 1k9m s VAL 10 N 0.44 1.19 -0.34 2.92 1.01 0.32 -4.97 120.40 120.98 1k9m s VAL 10 Ca -0.02 -1.07 -0.12 0.00 0.00 0.00 0.00 61.98 60.77 1k9m s VAL 10 Cb -0.14 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.16 1k9m s VAL 10 CO 0.02 0.00 0.21 -0.89 0.00 0.00 0.00 175.10 174.45 1k9m s THR 11 N -0.90 4.93 -0.23 3.92 2.01 -1.26 -0.03 115.64 124.09 1k9m s THR 11 Ca 0.02 -0.44 -0.15 0.00 0.31 0.00 0.00 61.69 61.43 1k9m s THR 11 Cb -0.08 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1k9m s THR 11 CO 0.01 -0.05 0.37 -0.63 -0.69 0.00 0.00 174.62 173.63 1k9m s ILE 12 N 1.65 5.21 0.17 1.82 -1.09 -0.38 -4.92 121.20 123.66 1k9m s ILE 12 Ca 0.05 0.61 -0.26 0.00 -2.23 0.00 0.00 60.65 58.81 1k9m s ILE 12 Cb -0.18 -3.69 -0.08 0.00 -1.58 0.00 0.00 42.46 36.93 1k9m s ILE 12 CO 0.08 0.23 0.82 -2.16 -1.23 0.00 0.00 174.94 172.68 1k9m s PRO 13 N 1.53 4.63 -0.22 2.79 0.04 -1.26 -1.91 135.00 140.59 1k9m s PRO 13 Ca 0.17 1.23 0.12 0.00 0.04 0.00 0.00 61.00 62.56 1k9m s PRO 13 Cb -0.15 -3.28 0.44 0.00 0.04 0.00 0.00 34.50 31.56 1k9m s PRO 13 CO 0.08 0.53 1.19 1.28 0.04 0.00 0.00 177.00 180.13 1k9m n LEU 14 N 1.68 3.25 0.21 -3.56 4.77 0.96 -4.72 117.00 119.58 1k9m n LEU 14 Ca -0.04 -3.94 0.09 0.00 -0.03 0.00 0.00 56.01 52.08 1k9m n LEU 14 Cb 0.48 -0.32 0.40 0.00 -2.33 0.00 0.00 43.42 41.65 1k9m n LEU 14 CO 0.47 1.54 0.76 0.08 -1.33 0.00 0.00 177.39 178.91 1k9m h ARG 15 N 1.57 0.00 0.00 3.23 0.11 -1.92 -2.99 114.38 114.37 1k9m h ARG 15 Ca 0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.18 1k9m h ARG 15 Cb 1.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.39 1k9m h ARG 15 CO 0.30 0.27 0.00 -0.25 0.10 0.00 0.00 179.97 180.39 1k9m n ASP 16 N -3.39 0.00 0.12 0.08 8.00 -1.26 -2.66 116.55 117.44 1k9m n ASP 16 Ca 0.00 0.37 0.12 0.00 0.71 0.00 0.00 54.79 55.99 1k9m n ASP 16 Cb 0.47 -0.45 0.47 0.00 -0.02 0.00 0.00 41.12 41.59 1k9m n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k9m n ALA 17 N -1.45 1.82 0.34 2.24 0.00 -1.13 -2.65 120.51 119.68 1k9m n ALA 17 Ca 0.08 0.05 0.15 0.00 0.00 0.00 0.00 53.44 53.72 1k9m n ALA 17 Cb 0.29 -1.41 0.54 0.00 0.00 0.00 0.00 19.45 18.87 1k9m n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k9m h ARG 18 N 0.00 0.00 0.00 0.00 3.08 -1.72 -2.69 114.38 113.06 1k9m h ARG 18 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1k9m h ARG 18 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1k9m h ARG 18 CO 0.00 0.00 -0.34 0.00 -1.07 0.00 0.00 179.97 178.56 1k9m h ALA 19 N 2.13 1.16 -2.44 0.04 0.00 -1.73 -3.44 119.26 114.98 1k9m h ALA 19 Ca 0.00 -0.31 -0.51 0.00 0.00 0.00 0.00 54.91 54.09 1k9m h ALA 19 Cb 0.55 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1k9m h ALA 19 CO 0.00 0.43 0.09 -2.00 0.00 0.00 0.00 179.25 177.76 1k9m s GLU 20 N -3.88 4.12 0.16 0.00 2.56 -1.01 -5.00 118.70 115.65 1k9m s GLU 20 Ca -0.01 0.75 -0.34 0.00 0.00 0.00 0.00 54.97 55.37 1k9m s GLU 20 Cb 0.12 -2.69 -0.15 0.00 2.00 0.00 0.00 34.13 33.42 1k9m s GLU 20 CO 0.68 0.30 1.46 -0.35 -0.56 0.00 0.00 175.26 176.79 1k9m n PRO 21 N 0.26 1.81 -0.33 4.30 -0.04 -1.26 -4.84 135.00 134.90 1k9m n PRO 21 Ca -0.00 0.65 0.27 0.00 -0.04 0.00 0.00 63.50 64.38 1k9m n PRO 21 Cb 0.52 -2.35 0.52 0.00 -0.04 0.00 0.00 33.50 32.16 1k9m n PRO 21 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1k9m h ASN 22 N 5.08 0.43 0.00 3.54 2.35 -1.90 0.45 115.58 125.53 1k9m h ASN 22 Ca -0.45 0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1k9m h ASN 22 Cb 1.28 0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.85 1k9m h ASN 22 CO 0.82 -0.26 0.00 0.00 -1.65 0.00 0.00 177.43 176.34 1k9m n HIS 23 N -5.14 0.00 -2.24 1.19 1.44 -1.26 -3.05 115.22 106.16 1k9m n HIS 23 Ca 0.34 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 56.08 1k9m n HIS 23 Cb 1.12 0.00 0.08 0.00 0.12 0.00 0.00 29.99 31.31 1k9m n HIS 23 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1k9m n LYS 24 N -0.79 0.90 0.04 -1.40 5.02 0.15 -4.50 118.16 117.58 1k9m n LYS 24 Ca 0.10 -2.70 -0.13 0.00 -2.02 0.00 0.00 58.31 53.56 1k9m n LYS 24 Cb 0.04 -0.81 -0.09 0.00 -0.02 0.00 0.00 35.03 34.16 1k9m n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k9m h ARG 25 N 1.26 -0.11 -0.96 1.97 3.08 -1.32 -3.17 114.38 115.13 1k9m h ARG 25 Ca -0.11 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.08 1k9m h ARG 25 Cb 1.54 0.03 -0.15 0.00 0.08 0.00 0.00 29.97 31.47 1k9m h ARG 25 CO 0.12 0.23 -0.43 0.00 -1.07 0.00 0.00 179.97 178.83 1k9m h ALA 26 N 0.40 -0.00 -0.02 0.04 0.00 -1.39 0.45 119.26 118.73 1k9m h ALA 26 Ca -0.01 0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1k9m h ALA 26 Cb 0.40 1.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 1k9m h ALA 26 CO 0.02 -0.70 -0.16 -0.44 0.00 0.00 0.00 179.25 177.97 1k9m h ASP 27 N -0.02 -0.48 -0.85 0.00 3.45 -1.83 -0.95 116.42 115.74 1k9m h ASP 27 Ca 0.30 0.07 0.01 0.00 0.43 0.00 0.00 57.03 57.84 1k9m h ASP 27 Cb 0.56 0.21 -0.04 0.00 -0.56 0.00 0.00 39.33 39.49 1k9m h ASP 27 CO -0.96 -0.22 0.55 0.50 -1.57 0.00 0.00 179.24 177.54 1k9m h LYS 28 N -0.26 1.12 0.46 3.56 1.63 -0.93 -2.28 116.57 119.87 1k9m h LYS 28 Ca 0.06 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 1k9m h LYS 28 Cb 0.34 -0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 31.71 1k9m h LYS 28 CO -0.17 0.75 -0.28 0.00 -3.45 0.00 0.00 179.45 176.30 1k9m h ALA 29 N 1.45 -0.70 -0.87 5.00 0.00 0.30 -0.19 119.26 124.25 1k9m h ALA 29 Ca 0.31 -0.14 0.25 0.00 0.00 0.00 0.00 54.91 55.33 1k9m h ALA 29 Cb -0.11 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1k9m h ALA 29 CO -0.06 -0.91 0.67 1.98 0.00 0.00 0.00 179.25 180.92 1k9m h MET 30 N -0.70 0.00 0.11 0.00 1.85 -0.69 0.28 114.93 115.79 1k9m h MET 30 Ca -0.05 0.00 -0.29 0.00 -0.61 0.00 0.00 59.70 58.75 1k9m h MET 30 Cb 0.57 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.60 1k9m h MET 30 CO 0.05 0.00 -1.43 0.82 -0.40 0.00 0.00 176.91 175.96 1k9m h ILE 31 N 0.00 1.27 -0.64 1.77 2.04 -0.78 -3.12 117.51 118.05 1k9m h ILE 31 Ca 0.41 -2.90 -0.07 0.00 1.00 0.00 0.00 64.86 63.30 1k9m h ILE 31 Cb 1.74 2.81 -0.02 0.00 -0.74 0.00 0.00 36.82 40.61 1k9m h ILE 31 CO -0.00 0.84 0.11 -0.07 0.00 0.00 0.00 178.15 179.02 1k9m h LEU 32 N 0.07 1.01 -0.27 1.44 3.38 0.13 -1.60 115.31 119.46 1k9m h LEU 32 Ca -0.20 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.54 1k9m h LEU 32 Cb 1.99 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 42.44 1k9m h LEU 32 CO 0.17 1.01 0.06 0.40 0.09 0.00 0.00 178.44 180.17 1k9m h ILE 33 N 0.96 0.89 -0.62 1.22 2.04 -1.17 -0.11 117.51 120.72 1k9m h ILE 33 Ca 0.19 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.95 1k9m h ILE 33 Cb 0.43 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1k9m h ILE 33 CO 0.01 0.03 0.21 -0.09 0.00 0.00 0.00 178.15 178.31 1k9m h ARG 34 N 0.17 0.94 0.00 2.37 2.43 -1.44 -2.39 114.38 116.46 1k9m h ARG 34 Ca 0.12 -0.17 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 1k9m h ARG 34 Cb 0.12 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1k9m h ARG 34 CO -0.15 0.80 -0.42 0.93 -1.51 0.00 0.00 179.97 179.61 1k9m h GLU 35 N 0.91 0.00 0.08 0.20 5.08 -0.71 -2.24 114.58 117.91 1k9m h GLU 35 Ca 0.21 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1k9m h GLU 35 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1k9m h GLU 35 CO -0.01 0.42 -0.04 1.25 -1.00 0.00 0.00 179.01 179.63 1k9m h HIS 36 N 0.00 -0.10 -0.95 4.33 2.76 -0.69 -2.71 115.15 117.79 1k9m h HIS 36 Ca -0.00 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.20 1k9m h HIS 36 Cb 0.97 0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.91 1k9m h HIS 36 CO 0.00 0.43 0.62 -0.07 -1.30 0.00 0.00 177.93 177.61 1k9m h LEU 37 N -0.75 1.03 -1.02 0.26 3.38 -1.43 0.58 115.31 117.37 1k9m h LEU 37 Ca -0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1k9m h LEU 37 Cb 0.58 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1k9m h LEU 37 CO 0.02 0.71 0.10 0.00 0.09 0.00 0.00 178.44 179.36 1k9m h ALA 38 N 1.44 1.20 0.07 1.53 0.00 -1.47 -1.07 119.26 120.96 1k9m h ALA 38 Ca 0.38 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1k9m h ALA 38 Cb 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.59 1k9m h ALA 38 CO -0.11 0.54 -0.38 -0.22 0.00 0.00 0.00 179.25 179.08 1k9m h LYS 39 N 0.78 0.14 0.00 0.00 3.64 -0.96 0.14 116.57 120.31 1k9m h LYS 39 Ca 0.17 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1k9m h LYS 39 Cb 0.32 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1k9m h LYS 39 CO 0.00 1.11 0.00 0.72 -2.27 0.00 0.00 179.45 179.02 1k9m n HIS 40 N -4.38 0.75 -0.79 1.91 8.25 0.10 -2.68 115.22 118.38 1k9m n HIS 40 Ca -0.12 0.26 0.08 0.00 -0.26 0.00 0.00 57.72 57.68 1k9m n HIS 40 Cb 0.64 -0.92 0.17 0.00 1.12 0.00 0.00 29.99 31.00 1k9m n HIS 40 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1k9m n PHE 41 N -2.15 0.42 -3.78 4.41 3.01 -0.41 -5.02 117.46 113.95 1k9m n PHE 41 Ca 0.04 -0.83 -0.27 0.00 1.01 0.00 0.00 57.45 57.40 1k9m n PHE 41 Cb 0.30 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 1k9m n PHE 41 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1k9m n SER 42 N -0.71 -4.30 -3.99 4.37 7.64 -1.09 -4.98 113.62 110.55 1k9m n SER 42 Ca 0.15 -0.97 -0.09 0.00 1.01 0.00 0.00 58.87 58.97 1k9m n SER 42 Cb 0.66 -1.47 -0.08 0.00 -1.01 0.00 0.00 64.21 62.31 1k9m n SER 42 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1k9m s VAL 43 N -3.05 0.11 0.26 0.44 1.01 0.02 -4.99 120.40 114.20 1k9m s VAL 43 Ca 0.09 -1.50 -0.29 0.00 0.00 0.00 0.00 61.98 60.27 1k9m s VAL 43 Cb -0.05 -1.75 -0.09 0.00 0.00 0.00 0.00 36.38 34.49 1k9m s VAL 43 CO 0.85 -0.48 0.95 -1.81 0.00 0.00 0.00 175.10 174.61 1k9m s ASP 44 N -2.96 7.56 0.34 3.32 1.11 -1.26 -4.47 116.67 120.32 1k9m s ASP 44 Ca 0.15 1.94 0.19 0.00 0.18 0.00 0.00 52.55 55.02 1k9m s ASP 44 Cb 0.05 -2.60 1.06 0.00 1.07 0.00 0.00 42.92 42.49 1k9m s ASP 44 CO -0.03 0.09 1.56 -0.33 1.18 0.00 0.00 175.17 177.64 1k9m h GLU 45 N 3.92 0.00 0.00 8.23 5.08 -1.90 0.32 114.58 130.22 1k9m h GLU 45 Ca -0.45 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.75 1k9m h GLU 45 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1k9m h GLU 45 CO 0.67 0.00 -0.72 -0.44 -1.00 0.00 0.00 179.01 177.52 1k9m h ASP 46 N 0.00 0.00 0.65 1.42 3.32 -1.97 -3.21 116.42 116.63 1k9m h ASP 46 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1k9m h ASP 46 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1k9m h ASP 46 CO 0.00 0.72 -0.30 0.00 -1.72 0.00 0.00 179.24 177.94 1k9m n ALA 47 N -2.39 3.07 -2.66 3.45 0.00 0.11 -4.85 120.51 117.24 1k9m n ALA 47 Ca -0.01 -0.26 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 1k9m n ALA 47 Cb 0.71 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 1k9m n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1k9m s VAL 48 N -2.95 4.81 -0.17 0.00 1.01 -1.20 -2.78 120.40 119.12 1k9m s VAL 48 Ca 0.14 1.78 -0.03 0.00 0.00 0.00 0.00 61.98 63.86 1k9m s VAL 48 Cb 0.18 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1k9m s VAL 48 CO 0.62 -0.05 -0.04 -0.60 0.00 0.00 0.00 175.10 175.03 1k9m s ARG 49 N 2.54 3.57 -0.24 2.72 3.52 -0.34 -4.99 118.95 125.74 1k9m s ARG 49 Ca 0.40 -0.56 -0.07 0.00 -0.13 0.00 0.00 55.73 55.38 1k9m s ARG 49 Cb -0.16 -2.93 -0.03 0.00 -1.56 0.00 0.00 34.95 30.28 1k9m s ARG 49 CO 0.10 0.12 0.05 -0.51 -0.81 0.00 0.00 175.30 174.25 1k9m s LEU 50 N 0.69 3.36 0.26 -0.88 1.43 -1.26 -0.93 118.68 121.34 1k9m s LEU 50 Ca -0.02 -0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 1k9m s LEU 50 Cb -0.15 -1.89 -0.10 0.00 0.03 0.00 0.00 46.19 44.08 1k9m s LEU 50 CO 0.02 -0.03 1.38 -0.62 0.23 0.00 0.00 176.35 177.33 1k9m s ASP 51 N 1.59 6.72 0.62 2.29 -1.08 0.14 -4.85 116.67 122.10 1k9m s ASP 51 Ca 0.06 2.63 0.20 0.00 -0.52 0.00 0.00 52.55 54.93 1k9m s ASP 51 Cb -0.15 -2.63 0.72 0.00 -1.46 0.00 0.00 42.92 39.40 1k9m s ASP 51 CO 0.03 -0.63 1.26 -0.65 0.52 0.00 0.00 175.17 175.70 1k9m h PRO 52 N 4.61 0.00 0.14 4.34 0.11 -1.98 0.28 132.00 139.51 1k9m h PRO 52 Ca -0.47 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.65 1k9m h PRO 52 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1k9m h PRO 52 CO 0.74 0.00 -0.20 0.66 -0.21 0.00 0.00 178.00 178.99 1k9m h SER 53 N 0.00 -0.55 -0.38 -2.05 4.64 -1.93 0.20 113.55 113.47 1k9m h SER 53 Ca 0.34 0.06 0.07 0.00 -0.47 0.00 0.00 61.79 61.79 1k9m h SER 53 Cb 2.57 0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 64.80 1k9m h SER 53 CO -0.00 -0.29 -0.01 0.40 -0.87 0.00 0.00 176.83 176.05 1k9m h ILE 54 N -0.40 0.70 -0.03 0.95 2.04 -0.77 0.26 117.51 120.25 1k9m h ILE 54 Ca 0.02 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.88 1k9m h ILE 54 Cb 0.41 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1k9m h ILE 54 CO -0.09 0.02 -0.16 -1.13 0.00 0.00 0.00 178.15 176.79 1k9m h ASN 55 N 0.09 -0.47 -0.15 1.72 -1.24 -1.39 -1.46 115.58 112.67 1k9m h ASN 55 Ca 0.19 0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.25 1k9m h ASN 55 Cb 0.27 0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.51 1k9m h ASN 55 CO -0.33 -0.22 0.05 -0.33 -1.29 0.00 0.00 177.43 175.32 1k9m h GLU 56 N -0.25 0.30 -0.39 6.67 5.08 0.16 -1.50 114.58 124.65 1k9m h GLU 56 Ca 0.06 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1k9m h GLU 56 Cb 0.33 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1k9m h GLU 56 CO -0.18 0.28 0.17 0.00 -1.00 0.00 0.00 179.01 178.28 1k9m h ALA 57 N 1.77 0.51 0.00 3.43 0.00 0.47 -0.78 119.26 124.66 1k9m h ALA 57 Ca 0.07 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1k9m h ALA 57 Cb 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1k9m h ALA 57 CO -0.00 0.10 -0.32 0.00 0.00 0.00 0.00 179.25 179.03 1k9m h ALA 58 N 1.01 1.00 -0.31 0.00 0.00 -0.63 -2.96 119.26 117.37 1k9m h ALA 58 Ca 0.13 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1k9m h ALA 58 Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1k9m h ALA 58 CO -0.01 0.40 0.00 0.91 0.00 0.00 0.00 179.25 180.55 1k9m n TRP 59 N -3.48 0.39 -0.33 0.00 7.02 -0.63 -4.63 117.44 115.78 1k9m n TRP 59 Ca -0.00 -0.20 0.04 0.00 -1.02 0.00 0.00 57.50 56.32 1k9m n TRP 59 Cb 0.49 -0.00 0.12 0.00 -2.42 0.00 0.00 31.31 29.50 1k9m n TRP 59 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1k9m h ALA 60 N 4.36 0.60 -0.88 6.99 0.00 -0.96 -0.98 119.26 128.39 1k9m h ALA 60 Ca 0.00 0.36 -0.50 0.00 0.00 0.00 0.00 54.91 54.77 1k9m h ALA 60 Cb 0.96 0.71 -0.28 0.00 0.00 0.00 0.00 17.79 19.19 1k9m h ALA 60 CO 0.00 -0.40 0.52 0.54 0.00 0.00 0.00 179.25 179.92 1k9m n ARG 61 N -5.59 2.32 0.00 0.00 1.74 -1.26 -5.06 116.66 108.81 1k9m n ARG 61 Ca 0.14 -3.15 0.00 0.00 -0.77 0.00 0.00 57.85 54.07 1k9m n ARG 61 Cb 0.46 -2.14 0.00 0.00 -1.02 0.00 0.00 32.46 29.76 1k9m n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k9m n GLY 62 N -1.08 -3.53 0.21 -0.13 0.00 -0.37 -3.99 105.19 96.29 1k9m n GLY 62 Ca 0.55 -1.91 0.10 0.00 0.00 0.00 0.00 46.02 44.76 1k9m n GLY 62 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1k9m h ARG 63 N 0.00 0.00 0.00 1.61 2.43 -1.89 -3.32 114.38 113.21 1k9m h ARG 63 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1k9m h ARG 63 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1k9m h ARG 63 CO 0.00 0.21 -1.48 0.00 -1.51 0.00 0.00 179.97 177.19 1k9m n ALA 64 N -2.17 3.64 -3.56 2.80 0.00 -1.26 -1.05 120.51 118.90 1k9m n ALA 64 Ca 0.02 -0.53 -0.33 0.00 0.00 0.00 0.00 53.44 52.60 1k9m n ALA 64 Cb 0.52 -0.72 -0.07 0.00 0.00 0.00 0.00 19.45 19.18 1k9m n ALA 64 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1k9m n ASN 65 N -1.87 4.10 -4.83 0.00 3.02 -1.25 -4.77 115.26 109.67 1k9m n ASN 65 Ca -0.00 -3.28 -0.38 0.00 -0.03 0.00 0.00 54.58 50.89 1k9m n ASN 65 Cb 0.43 -0.91 -0.06 0.00 -0.61 0.00 0.00 39.78 38.64 1k9m n ASN 65 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1k9m s THR 66 N -1.89 4.88 0.47 3.41 2.01 -1.26 -4.31 115.64 118.94 1k9m s THR 66 Ca 0.31 1.01 -0.23 0.00 0.31 0.00 0.00 61.69 63.09 1k9m s THR 66 Cb 0.01 -3.80 -0.07 0.00 0.01 0.00 0.00 72.50 68.65 1k9m s THR 66 CO -0.08 0.53 1.26 -2.16 -0.69 0.00 0.00 174.62 173.49 1k9m s PRO 67 N -1.19 3.64 0.59 4.92 0.04 -1.26 -4.93 135.00 136.81 1k9m s PRO 67 Ca 0.28 2.02 0.36 0.00 0.04 0.00 0.00 61.00 63.69 1k9m s PRO 67 Cb -0.18 -2.47 1.82 0.00 0.04 0.00 0.00 34.50 33.71 1k9m s PRO 67 CO 0.17 -0.72 2.17 0.66 0.04 0.00 0.00 177.00 179.32 1k9m h SER 68 N 2.07 0.00 -5.74 6.66 4.64 -1.95 -3.43 113.55 115.79 1k9m h SER 68 Ca -0.50 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.45 1k9m h SER 68 Cb 1.26 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.24 1k9m h SER 68 CO 0.60 0.04 -0.40 -0.54 -0.87 0.00 0.00 176.83 175.66 1k9m s LYS 69 N -4.06 1.74 -0.30 4.77 1.02 -1.26 -0.03 119.74 121.63 1k9m s LYS 69 Ca -0.03 -1.88 -0.14 0.00 0.02 0.00 0.00 55.97 53.94 1k9m s LYS 69 Cb 0.12 0.36 0.16 0.00 -0.52 0.00 0.00 37.83 37.95 1k9m s LYS 69 CO 0.51 -0.67 0.94 -1.50 -0.92 0.00 0.00 175.35 173.71 1k9m s ILE 70 N -3.41 -0.51 0.04 2.17 2.07 -0.80 -4.91 121.20 115.85 1k9m s ILE 70 Ca 0.37 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.31 1k9m s ILE 70 Cb 0.02 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.57 1k9m s ILE 70 CO 0.23 0.00 1.04 -0.13 -1.91 0.00 0.00 174.94 174.17 1k9m s ARG 71 N 2.39 4.55 -0.03 3.50 0.52 -1.26 -1.25 118.95 127.38 1k9m s ARG 71 Ca -0.04 1.53 0.01 0.00 -0.52 0.00 0.00 55.73 56.71 1k9m s ARG 71 Cb -0.07 -3.41 0.01 0.00 0.52 0.00 0.00 34.95 32.01 1k9m s ARG 71 CO -0.17 -0.05 -0.03 0.54 0.02 0.00 0.00 175.30 175.60 1k9m s VAL 72 N 0.77 0.38 -0.26 3.52 0.11 0.96 -3.98 120.40 121.90 1k9m s VAL 72 Ca 0.53 -0.09 -0.11 0.00 -2.93 0.00 0.00 61.98 59.38 1k9m s VAL 72 Cb -0.24 -0.40 -0.05 0.00 -1.53 0.00 0.00 36.38 34.16 1k9m s VAL 72 CO 0.29 0.16 0.17 -0.60 -3.33 0.00 0.00 175.10 171.80 1k9m s ARG 73 N 0.59 4.00 0.03 1.54 3.52 0.14 -0.52 118.95 128.25 1k9m s ARG 73 Ca -0.07 -0.30 0.05 0.00 -0.13 0.00 0.00 55.73 55.28 1k9m s ARG 73 Cb -0.10 -3.59 -0.02 0.00 -1.56 0.00 0.00 34.95 29.68 1k9m s ARG 73 CO -0.00 -0.07 -0.14 0.00 -0.81 0.00 0.00 175.30 174.28 1k9m s ALA 74 N 1.42 1.19 0.12 6.12 0.00 -0.79 -1.14 121.76 128.68 1k9m s ALA 74 Ca 0.07 -0.81 0.10 0.00 0.00 0.00 0.00 51.96 51.32 1k9m s ALA 74 Cb -0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1k9m s ALA 74 CO 0.08 0.23 -0.24 0.00 0.00 0.00 0.00 175.76 175.83 1k9m s ALA 75 N -0.78 2.11 -0.05 0.00 0.00 -0.40 -1.50 121.76 121.13 1k9m s ALA 75 Ca 0.02 -1.37 0.05 0.00 0.00 0.00 0.00 51.96 50.66 1k9m s ALA 75 Cb -0.08 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.73 1k9m s ALA 75 CO 0.01 0.44 -0.20 0.50 0.00 0.00 0.00 175.76 176.52 1k9m s ARG 76 N -2.04 2.11 0.00 0.00 3.52 -1.26 -1.10 118.95 120.19 1k9m s ARG 76 Ca 0.11 -0.70 0.00 0.00 -0.13 0.00 0.00 55.73 55.00 1k9m s ARG 76 Cb -0.10 -1.78 0.00 0.00 -1.56 0.00 0.00 34.95 31.51 1k9m s ARG 76 CO 0.05 0.26 0.00 1.97 -0.81 0.00 0.00 175.30 176.77 1k9m n PHE 77 N 3.17 0.00 -0.79 5.12 1.16 -0.66 -4.72 117.46 120.74 1k9m n PHE 77 Ca -0.18 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.42 1k9m n PHE 77 Cb 0.53 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.39 1k9m n PHE 77 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1k9m n GLU 78 N 0.00 -0.36 0.00 3.97 2.13 -1.26 -1.89 120.64 123.23 1k9m n GLU 78 Ca 0.00 0.24 0.14 0.00 0.66 0.00 0.00 57.16 58.19 1k9m n GLU 78 Cb 0.00 -0.44 0.62 0.00 0.27 0.00 0.00 31.44 31.89 1k9m n GLU 78 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1k9m n GLU 79 N -1.29 0.01 0.00 5.31 -0.00 -1.26 -3.64 120.64 119.76 1k9m n GLU 79 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.17 1k9m n GLU 79 Cb 0.08 -1.51 0.00 0.00 -0.00 0.00 0.00 31.44 30.01 1k9m n GLU 79 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1k9m n GLU 80 N -1.52 6.05 -0.15 3.44 2.13 -1.26 -5.11 120.64 124.22 1k9m n GLU 80 Ca 0.07 -0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1k9m n GLU 80 Cb 0.34 -0.51 0.00 0.00 0.27 0.00 0.00 31.44 31.54 1k9m n GLU 80 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k9m n GLY 81 N 0.87 -1.83 3.72 8.31 0.00 -1.24 -4.99 105.19 110.03 1k9m n GLY 81 Ca 0.00 -1.02 -0.03 0.00 0.00 0.00 0.00 46.02 44.96 1k9m n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1k9m s GLU 82 N -3.73 1.10 -0.02 1.61 -1.05 -0.79 -4.81 118.70 111.02 1k9m s GLU 82 Ca 0.00 -0.60 0.02 0.00 -0.15 0.00 0.00 54.97 54.24 1k9m s GLU 82 Cb 0.00 0.39 0.01 0.00 -0.44 0.00 0.00 34.13 34.08 1k9m s GLU 82 CO 0.00 -0.50 -0.05 0.00 0.95 0.00 0.00 175.26 175.65 1k9m s ALA 83 N -3.21 0.56 -0.12 -0.84 0.00 -1.12 -1.65 121.76 115.38 1k9m s ALA 83 Ca 0.12 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 51.93 1k9m s ALA 83 Cb -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 1k9m s ALA 83 CO 0.01 0.07 -0.17 0.42 0.00 0.00 0.00 175.76 176.09 1k9m s ILE 84 N 0.29 2.73 0.10 0.00 1.01 -0.26 -1.19 121.20 123.88 1k9m s ILE 84 Ca -0.03 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.88 1k9m s ILE 84 Cb -0.07 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 1k9m s ILE 84 CO -0.00 0.54 -0.11 -0.69 0.00 0.00 0.00 174.94 174.68 1k9m s VAL 85 N 0.34 0.99 0.26 2.92 1.01 -0.11 -1.27 120.40 124.53 1k9m s VAL 85 Ca -0.13 -1.61 -0.12 0.00 0.00 0.00 0.00 61.98 60.12 1k9m s VAL 85 Cb -0.17 -1.34 -0.00 0.00 0.00 0.00 0.00 36.38 34.88 1k9m s VAL 85 CO 0.07 -0.51 0.50 -1.83 0.00 0.00 0.00 175.10 173.32 1k9m s GLU 86 N -2.67 1.63 1.00 2.72 -1.05 -0.29 0.26 118.70 120.29 1k9m s GLU 86 Ca 0.05 -1.31 -0.17 0.00 -0.15 0.00 0.00 54.97 53.39 1k9m s GLU 86 Cb -0.04 0.48 0.26 0.00 -0.44 0.00 0.00 34.13 34.39 1k9m s GLU 86 CO 0.01 -0.68 0.62 0.00 0.95 0.00 0.00 175.26 176.15 1k9m n ALA 87 N -0.41 -3.47 -1.23 -0.84 0.00 -1.26 -0.69 120.51 112.61 1k9m n ALA 87 Ca -0.02 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.35 1k9m n ALA 87 Cb 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1k9m n ALA 87 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89