#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i56 s ARG 8 N 0.00 1.57 -0.26 5.31 1.70 -0.90 -5.03 118.95 121.34 3i56 s ARG 8 Ca 0.00 -0.88 -0.08 0.00 -0.47 0.00 0.00 55.73 54.29 3i56 s ARG 8 Cb 0.00 0.57 -0.03 0.00 -0.57 0.00 0.00 34.95 34.92 3i56 s ARG 8 CO 0.00 -0.70 0.10 0.08 -1.08 0.00 0.00 175.30 173.70 3i56 s VAL 9 N -3.89 4.51 0.11 4.99 1.01 -1.26 -1.67 120.40 124.20 3i56 s VAL 9 Ca 0.10 -0.11 0.10 0.00 0.00 0.00 0.00 61.98 62.07 3i56 s VAL 9 Cb -0.03 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 3i56 s VAL 9 CO 0.01 0.32 -0.24 -0.69 0.00 0.00 0.00 175.10 174.49 3i56 s VAL 10 N 1.64 2.41 -0.35 2.92 1.01 0.13 -4.94 120.40 123.22 3i56 s VAL 10 Ca 0.06 -1.60 -0.09 0.00 0.00 0.00 0.00 61.98 60.35 3i56 s VAL 10 Cb -0.15 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.20 3i56 s VAL 10 CO 0.05 0.16 0.16 -0.89 0.00 0.00 0.00 175.10 174.57 3i56 s THR 11 N -1.03 4.27 -0.23 3.92 2.01 -1.26 0.50 115.64 123.82 3i56 s THR 11 Ca 0.15 -0.89 -0.18 0.00 0.31 0.00 0.00 61.69 61.07 3i56 s THR 11 Cb -0.10 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 3i56 s THR 11 CO 0.06 -0.16 0.53 -0.63 -0.69 0.00 0.00 174.62 173.73 3i56 s ILE 12 N 1.51 5.08 -0.18 1.82 -1.09 -0.53 -4.93 121.20 122.87 3i56 s ILE 12 Ca 0.01 0.95 -0.26 0.00 -2.23 0.00 0.00 60.65 59.13 3i56 s ILE 12 Cb -0.19 -3.85 -0.01 0.00 -1.58 0.00 0.00 42.46 36.83 3i56 s ILE 12 CO 0.05 0.12 0.85 -2.16 -1.23 0.00 0.00 174.94 172.57 3i56 s PRO 13 N 2.00 4.28 -0.49 2.79 0.04 -1.26 -2.47 135.00 139.90 3i56 s PRO 13 Ca 0.23 1.04 0.03 0.00 0.04 0.00 0.00 61.00 62.34 3i56 s PRO 13 Cb -0.15 -3.59 0.49 0.00 0.04 0.00 0.00 34.50 31.29 3i56 s PRO 13 CO 0.09 -0.37 1.73 1.28 0.04 0.00 0.00 177.00 179.77 3i56 n LEU 14 N 5.40 6.35 0.15 -3.56 4.77 0.10 -4.60 117.00 125.60 3i56 n LEU 14 Ca 0.05 -4.22 0.12 0.00 -0.03 0.00 0.00 56.01 51.93 3i56 n LEU 14 Cb 0.48 -0.76 0.22 0.00 -2.33 0.00 0.00 43.42 41.04 3i56 n LEU 14 CO 0.48 1.53 0.68 0.08 -1.33 0.00 0.00 177.39 178.83 3i56 h ARG 15 N 1.74 0.00 -0.29 3.23 0.11 -1.90 -3.22 114.38 114.04 3i56 h ARG 15 Ca 0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.58 3i56 h ARG 15 Cb 1.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.50 3i56 h ARG 15 CO 1.14 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.96 3i56 n ASP 16 N -2.65 0.99 0.01 0.08 9.92 -1.26 -2.84 116.55 120.79 3i56 n ASP 16 Ca 0.04 -2.03 0.11 0.00 -0.53 0.00 0.00 54.79 52.38 3i56 n ASP 16 Cb 0.49 -0.18 0.08 0.00 -0.64 0.00 0.00 41.12 40.87 3i56 n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i56 n ALA 17 N -0.04 3.90 0.76 2.24 0.00 -1.22 -3.93 120.51 122.23 3i56 n ALA 17 Ca 0.05 -0.44 0.13 0.00 0.00 0.00 0.00 53.44 53.18 3i56 n ALA 17 Cb 0.18 -0.98 0.50 0.00 0.00 0.00 0.00 19.45 19.15 3i56 n ALA 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i56 n ARG 18 N -1.60 0.13 0.04 0.00 1.74 -1.13 -3.30 116.66 112.54 3i56 n ARG 18 Ca 0.04 0.14 -0.15 0.00 -0.77 0.00 0.00 57.85 57.11 3i56 n ARG 18 Cb 0.36 -1.66 -0.06 0.00 -1.02 0.00 0.00 32.46 30.08 3i56 n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i56 h ALA 19 N 2.71 0.32 -2.41 7.54 0.00 -1.80 -3.45 119.26 122.17 3i56 h ALA 19 Ca 0.00 -0.68 -0.48 0.00 0.00 0.00 0.00 54.91 53.76 3i56 h ALA 19 Cb 0.58 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3i56 h ALA 19 CO 0.00 0.75 0.28 -2.00 0.00 0.00 0.00 179.25 178.28 3i56 s GLU 20 N -3.40 4.44 0.21 0.00 2.56 -1.21 -4.99 118.70 116.31 3i56 s GLU 20 Ca -0.08 1.17 -0.30 0.00 0.00 0.00 0.00 54.97 55.76 3i56 s GLU 20 Cb 0.08 -2.72 -0.16 0.00 2.00 0.00 0.00 34.13 33.34 3i56 s GLU 20 CO 0.88 0.26 0.94 -0.35 -0.56 0.00 0.00 175.26 176.44 3i56 n PRO 21 N 0.40 0.87 -0.33 4.30 -0.04 -1.26 -4.81 135.00 134.13 3i56 n PRO 21 Ca 0.02 0.31 0.17 0.00 -0.04 0.00 0.00 63.50 63.95 3i56 n PRO 21 Cb 0.51 -1.64 0.36 0.00 -0.04 0.00 0.00 33.50 32.70 3i56 n PRO 21 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3i56 h ASN 22 N 2.27 0.48 0.18 3.54 2.35 -1.89 -1.79 115.58 120.72 3i56 h ASN 22 Ca -0.39 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 3i56 h ASN 22 Cb 1.37 0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.84 3i56 h ASN 22 CO 0.63 0.01 0.00 0.00 -1.65 0.00 0.00 177.43 176.42 3i56 n HIS 23 N -4.99 0.00 -1.34 1.19 1.44 -1.26 -2.57 115.22 107.69 3i56 n HIS 23 Ca 0.25 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 56.04 3i56 n HIS 23 Cb 0.74 -0.16 0.11 0.00 0.12 0.00 0.00 29.99 30.81 3i56 n HIS 23 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3i56 n LYS 24 N -1.16 1.01 -0.37 -1.40 5.02 -0.67 -4.51 118.16 116.08 3i56 n LYS 24 Ca 0.11 -2.30 -0.00 0.00 -2.02 0.00 0.00 58.31 54.10 3i56 n LYS 24 Cb 0.11 -1.27 0.14 0.00 -0.02 0.00 0.00 35.03 33.99 3i56 n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i56 h ARG 25 N 0.10 1.25 -0.28 1.97 3.08 -1.17 -3.02 114.38 116.32 3i56 h ARG 25 Ca -0.01 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 3i56 h ARG 25 Cb 1.10 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 3i56 h ARG 25 CO 0.00 0.83 -0.14 0.00 -1.07 0.00 0.00 179.97 179.59 3i56 h ALA 26 N 1.41 1.24 -0.39 0.04 0.00 -1.32 -0.67 119.26 119.57 3i56 h ALA 26 Ca 0.38 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3i56 h ALA 26 Cb -0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3i56 h ALA 26 CO -0.11 0.49 -0.18 -0.44 0.00 0.00 0.00 179.25 179.02 3i56 h ASP 27 N 0.44 0.83 0.40 0.00 3.32 -1.80 -2.68 116.42 116.93 3i56 h ASP 27 Ca 0.08 -0.40 -0.16 0.00 0.02 0.00 0.00 57.03 56.57 3i56 h ASP 27 Cb 0.51 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3i56 h ASP 27 CO 0.03 1.04 -0.66 0.50 -1.72 0.00 0.00 179.24 178.43 3i56 h LYS 28 N 0.61 0.23 -0.81 3.56 1.63 -1.45 -2.98 116.57 117.36 3i56 h LYS 28 Ca 0.09 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 3i56 h LYS 28 Cb 0.72 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.35 3i56 h LYS 28 CO 0.05 0.81 0.46 0.00 -3.45 0.00 0.00 179.45 177.32 3i56 h ALA 29 N 1.14 1.04 -0.16 5.00 0.00 -1.02 -1.18 119.26 124.08 3i56 h ALA 29 Ca -0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3i56 h ALA 29 Cb 1.19 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3i56 h ALA 29 CO 0.10 0.54 -0.15 1.98 0.00 0.00 0.00 179.25 181.73 3i56 h MET 30 N 1.13 0.26 0.05 0.00 1.85 -1.33 -1.69 114.93 115.20 3i56 h MET 30 Ca 0.29 -0.06 -0.24 0.00 -0.61 0.00 0.00 59.70 59.07 3i56 h MET 30 Cb 0.01 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.01 3i56 h MET 30 CO -0.05 0.41 -1.06 0.82 -0.40 0.00 0.00 176.91 176.63 3i56 h ILE 31 N 0.24 1.45 -0.01 1.77 2.04 -1.33 -3.11 117.51 118.58 3i56 h ILE 31 Ca 0.05 -2.73 -0.08 0.00 1.00 0.00 0.00 64.86 63.10 3i56 h ILE 31 Cb 0.41 2.65 -0.01 0.00 -0.74 0.00 0.00 36.82 39.12 3i56 h ILE 31 CO 0.02 0.80 -0.37 -0.07 0.00 0.00 0.00 178.15 178.54 3i56 h LEU 32 N 0.15 0.01 -0.15 1.44 3.38 -0.37 -0.04 115.31 119.73 3i56 h LEU 32 Ca -0.10 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 3i56 h LEU 32 Cb 1.73 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 3i56 h LEU 32 CO 0.18 0.38 -0.49 0.40 0.09 0.00 0.00 178.44 179.00 3i56 h ILE 33 N 0.01 1.34 -0.61 1.22 2.04 -1.38 -2.09 117.51 118.04 3i56 h ILE 33 Ca -0.00 -1.76 -0.10 0.00 1.00 0.00 0.00 64.86 64.00 3i56 h ILE 33 Cb 0.66 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 3i56 h ILE 33 CO 0.05 0.54 -0.01 -0.09 0.00 0.00 0.00 178.15 178.64 3i56 h ARG 34 N 0.25 1.08 -0.19 2.37 2.43 -1.42 -1.86 114.38 117.05 3i56 h ARG 34 Ca -0.02 -0.35 -0.08 0.00 -0.81 0.00 0.00 59.98 58.73 3i56 h ARG 34 Cb 1.11 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 3i56 h ARG 34 CO 0.10 1.06 -0.22 0.93 -1.51 0.00 0.00 179.97 180.34 3i56 h GLU 35 N 0.98 0.33 0.17 0.20 5.08 -0.99 -2.48 114.58 117.87 3i56 h GLU 35 Ca 0.17 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3i56 h GLU 35 Cb 0.58 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3i56 h GLU 35 CO 0.03 0.54 -0.08 1.25 -1.00 0.00 0.00 179.01 179.75 3i56 h HIS 36 N 0.30 -0.21 0.00 4.33 2.76 -1.10 -3.06 115.15 118.17 3i56 h HIS 36 Ca 0.05 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 3i56 h HIS 36 Cb 0.56 0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.59 3i56 h HIS 36 CO 0.01 0.21 -0.04 -0.07 -1.30 0.00 0.00 177.93 176.74 3i56 h LEU 37 N -0.88 0.00 -0.25 0.26 3.38 -1.35 -0.52 115.31 115.94 3i56 h LEU 37 Ca -0.02 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.74 3i56 h LEU 37 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3i56 h LEU 37 CO 0.04 0.04 -0.87 0.00 0.09 0.00 0.00 178.44 177.74 3i56 h ALA 38 N 1.96 0.45 0.02 1.53 0.00 -1.52 -2.11 119.26 119.59 3i56 h ALA 38 Ca -0.00 -0.68 -0.18 0.00 0.00 0.00 0.00 54.91 54.05 3i56 h ALA 38 Cb 0.09 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.85 3i56 h ALA 38 CO 0.01 0.81 -0.71 -0.22 0.00 0.00 0.00 179.25 179.13 3i56 h LYS 39 N 0.23 0.45 0.00 0.00 3.64 -1.21 -1.93 116.57 117.76 3i56 h LYS 39 Ca -0.06 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 3i56 h LYS 39 Cb 1.49 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.46 3i56 h LYS 39 CO 0.15 1.16 0.00 0.45 -2.27 0.00 0.00 179.45 178.94 3i56 h HIS 40 N -0.04 0.00 -0.19 1.91 3.86 -1.19 -3.27 115.15 116.23 3i56 h HIS 40 Ca -0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 3i56 h HIS 40 Cb 1.43 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.90 3i56 h HIS 40 CO 0.14 0.00 0.00 1.19 0.86 0.00 0.00 177.93 180.12 3i56 n PHE 41 N -2.50 0.25 -3.89 2.45 3.01 -0.79 -5.01 117.46 110.99 3i56 n PHE 41 Ca 0.05 -0.49 -0.30 0.00 1.01 0.00 0.00 57.45 57.72 3i56 n PHE 41 Cb 0.45 -0.04 0.03 0.00 -0.01 0.00 0.00 39.48 39.91 3i56 n PHE 41 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3i56 n SER 42 N 0.08 -5.01 -4.61 4.37 7.64 -1.12 -5.01 113.62 109.96 3i56 n SER 42 Ca 0.06 -0.76 -0.28 0.00 1.01 0.00 0.00 58.87 58.91 3i56 n SER 42 Cb 0.34 -3.99 -0.11 0.00 -1.01 0.00 0.00 64.21 59.44 3i56 n SER 42 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3i56 s VAL 43 N -3.30 2.05 0.19 0.44 1.01 -0.74 -5.06 120.40 114.99 3i56 s VAL 43 Ca 0.67 -2.03 -0.13 0.00 0.00 0.00 0.00 61.98 60.49 3i56 s VAL 43 Cb -0.33 -2.94 -0.07 0.00 0.00 0.00 0.00 36.38 33.04 3i56 s VAL 43 CO 0.82 -0.03 0.56 -1.81 0.00 0.00 0.00 175.10 174.64 3i56 s ASP 44 N -3.70 6.75 0.62 3.32 1.01 -1.26 -4.50 116.67 118.91 3i56 s ASP 44 Ca 0.35 1.04 0.33 0.00 0.71 0.00 0.00 52.55 54.98 3i56 s ASP 44 Cb 0.09 -2.27 1.90 0.00 1.01 0.00 0.00 42.92 43.65 3i56 s ASP 44 CO 0.18 0.02 2.19 -0.33 0.21 0.00 0.00 175.17 177.44 3i56 h GLU 45 N 3.11 0.00 0.00 8.23 5.08 -1.91 -1.39 114.58 127.70 3i56 h GLU 45 Ca -0.48 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.84 3i56 h GLU 45 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3i56 h GLU 45 CO 0.67 0.00 -0.22 -0.44 -1.00 0.00 0.00 179.01 178.02 3i56 h ASP 46 N 0.00 0.00 -0.13 1.42 3.32 -1.96 -3.13 116.42 115.93 3i56 h ASP 46 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3i56 h ASP 46 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3i56 h ASP 46 CO -0.00 0.22 0.00 0.00 -1.72 0.00 0.00 179.24 177.74 3i56 n ALA 47 N -2.20 2.46 -2.60 3.45 0.00 -0.53 -4.90 120.51 116.19 3i56 n ALA 47 Ca 0.01 -0.76 -0.41 0.00 0.00 0.00 0.00 53.44 52.28 3i56 n ALA 47 Cb 0.47 -0.86 -0.07 0.00 0.00 0.00 0.00 19.45 18.98 3i56 n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i56 s VAL 48 N -1.85 5.01 -0.30 0.00 1.01 -1.18 -2.27 120.40 120.81 3i56 s VAL 48 Ca 0.32 0.77 -0.09 0.00 0.00 0.00 0.00 61.98 62.98 3i56 s VAL 48 Cb 0.21 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 3i56 s VAL 48 CO 0.31 -0.06 0.12 -0.60 0.00 0.00 0.00 175.10 174.87 3i56 s ARG 49 N 2.45 3.33 -0.34 2.72 3.52 0.69 -4.98 118.95 126.34 3i56 s ARG 49 Ca 0.22 -0.71 -0.15 0.00 -0.13 0.00 0.00 55.73 54.97 3i56 s ARG 49 Cb -0.15 -3.48 -0.01 0.00 -1.56 0.00 0.00 34.95 29.74 3i56 s ARG 49 CO 0.11 -0.38 0.33 -0.51 -0.81 0.00 0.00 175.30 174.03 3i56 s LEU 50 N 1.59 4.45 0.30 -0.88 1.43 -1.26 -0.78 118.68 123.53 3i56 s LEU 50 Ca 0.04 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.58 3i56 s LEU 50 Cb -0.17 -2.29 -0.10 0.00 0.03 0.00 0.00 46.19 43.66 3i56 s LEU 50 CO 0.05 -0.31 1.42 -0.62 0.23 0.00 0.00 176.35 177.12 3i56 s ASP 51 N 1.73 6.60 0.54 2.29 -1.08 0.51 -4.86 116.67 122.39 3i56 s ASP 51 Ca 0.10 2.78 0.04 0.00 -0.52 0.00 0.00 52.55 54.94 3i56 s ASP 51 Cb -0.17 -2.64 0.19 0.00 -1.46 0.00 0.00 42.92 38.85 3i56 s ASP 51 CO 0.11 -0.70 1.02 -0.65 0.52 0.00 0.00 175.17 175.47 3i56 h PRO 52 N 4.11 0.00 -1.01 4.34 0.11 -1.97 -1.35 132.00 136.23 3i56 h PRO 52 Ca -0.48 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.65 3i56 h PRO 52 Cb 1.22 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 3i56 h PRO 52 CO 0.71 0.00 0.67 0.66 -0.21 0.00 0.00 178.00 179.83 3i56 h SER 53 N 0.00 1.15 -0.32 -2.05 4.64 -1.94 -0.09 113.55 114.94 3i56 h SER 53 Ca 0.00 -0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.14 3i56 h SER 53 Cb 1.63 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3i56 h SER 53 CO 0.00 0.83 -0.41 0.40 -0.87 0.00 0.00 176.83 176.78 3i56 h ILE 54 N 1.36 1.28 -0.35 0.95 2.04 -1.60 -0.85 117.51 120.34 3i56 h ILE 54 Ca 0.37 -1.59 0.01 0.00 1.00 0.00 0.00 64.86 64.65 3i56 h ILE 54 Cb -0.14 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 3i56 h ILE 54 CO -0.09 0.52 0.23 -1.13 0.00 0.00 0.00 178.15 177.68 3i56 h ASN 55 N 0.63 0.40 0.61 1.72 -1.24 -1.49 -1.53 115.58 114.67 3i56 h ASN 55 Ca 0.04 -0.01 -0.10 0.00 0.71 0.00 0.00 56.30 56.94 3i56 h ASN 55 Cb 1.00 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.94 3i56 h ASN 55 CO 0.10 0.29 -0.49 -0.33 -1.29 0.00 0.00 177.43 175.70 3i56 h GLU 56 N 0.47 0.00 -0.12 6.67 5.08 -0.95 -1.72 114.58 124.01 3i56 h GLU 56 Ca 0.13 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 3i56 h GLU 56 Cb -0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3i56 h GLU 56 CO -0.03 0.49 -0.50 0.00 -1.00 0.00 0.00 179.01 177.96 3i56 h ALA 57 N 1.51 0.91 0.00 3.43 0.00 -0.59 -1.05 119.26 123.46 3i56 h ALA 57 Ca -0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 3i56 h ALA 57 Cb 0.93 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3i56 h ALA 57 CO 0.06 0.67 -1.03 0.00 0.00 0.00 0.00 179.25 178.95 3i56 h ALA 58 N 1.20 0.65 -0.71 0.00 0.00 -1.05 -3.30 119.26 116.05 3i56 h ALA 58 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3i56 h ALA 58 Cb 0.98 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3i56 h ALA 58 CO 0.08 0.74 0.00 0.91 0.00 0.00 0.00 179.25 180.99 3i56 n TRP 59 N -3.00 0.95 -0.17 0.00 7.02 -0.67 -4.61 117.44 116.96 3i56 n TRP 59 Ca -0.04 -0.48 -0.02 0.00 -1.02 0.00 0.00 57.50 55.93 3i56 n TRP 59 Cb 0.78 -0.00 0.07 0.00 -2.42 0.00 0.00 31.31 29.74 3i56 n TRP 59 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3i56 h ALA 60 N 4.35 0.64 -0.69 6.99 0.00 -1.27 -2.49 119.26 126.78 3i56 h ALA 60 Ca 0.00 0.07 -0.24 0.00 0.00 0.00 0.00 54.91 54.74 3i56 h ALA 60 Cb 1.00 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.69 3i56 h ALA 60 CO 0.00 -0.21 0.27 0.54 0.00 0.00 0.00 179.25 179.85 3i56 n ARG 61 N -5.01 3.21 0.00 0.00 1.74 -1.26 -5.06 116.66 110.28 3i56 n ARG 61 Ca 0.06 -3.07 0.00 0.00 -0.77 0.00 0.00 57.85 54.07 3i56 n ARG 61 Cb 0.21 -2.13 0.00 0.00 -1.02 0.00 0.00 32.46 29.52 3i56 n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i56 n GLY 62 N -0.46 -1.64 0.10 -0.13 0.00 -0.94 -4.08 105.19 98.04 3i56 n GLY 62 Ca 0.41 -2.05 0.03 0.00 0.00 0.00 0.00 46.02 44.41 3i56 n GLY 62 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i56 n ARG 63 N 0.00 0.62 0.01 1.61 0.63 -1.26 -4.37 116.66 113.89 3i56 n ARG 63 Ca 0.00 0.20 0.08 0.00 -0.92 0.00 0.00 57.85 57.21 3i56 n ARG 63 Cb 0.00 -1.81 -0.13 0.00 0.45 0.00 0.00 32.46 30.97 3i56 n ARG 63 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i56 n ALA 64 N -2.35 2.54 -3.18 5.13 0.00 -1.26 -0.90 120.51 120.50 3i56 n ALA 64 Ca -0.07 -0.55 -0.39 0.00 0.00 0.00 0.00 53.44 52.43 3i56 n ALA 64 Cb 0.77 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3i56 n ALA 64 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i56 n ASN 65 N -2.45 5.54 -4.75 0.00 3.02 -1.26 -4.78 115.26 110.59 3i56 n ASN 65 Ca -0.07 -3.37 -0.40 0.00 -0.03 0.00 0.00 54.58 50.71 3i56 n ASN 65 Cb 0.65 -1.11 -0.05 0.00 -0.61 0.00 0.00 39.78 38.66 3i56 n ASN 65 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3i56 s THR 66 N -2.50 4.67 0.42 3.41 2.01 -1.26 -4.35 115.64 118.03 3i56 s THR 66 Ca 0.33 1.66 -0.25 0.00 0.31 0.00 0.00 61.69 63.74 3i56 s THR 66 Cb 0.05 -4.13 -0.08 0.00 0.01 0.00 0.00 72.50 68.36 3i56 s THR 66 CO 0.05 0.39 1.21 -2.16 -0.69 0.00 0.00 174.62 173.41 3i56 s PRO 67 N -0.21 3.94 0.62 4.92 0.04 -1.26 -4.94 135.00 138.11 3i56 s PRO 67 Ca 0.38 1.92 0.41 0.00 0.04 0.00 0.00 61.00 63.75 3i56 s PRO 67 Cb -0.21 -2.63 2.06 0.00 0.04 0.00 0.00 34.50 33.77 3i56 s PRO 67 CO 0.24 -0.44 2.23 0.66 0.04 0.00 0.00 177.00 179.73 3i56 h SER 68 N 2.49 0.00 -5.58 6.66 4.64 -1.96 -3.43 113.55 116.38 3i56 h SER 68 Ca -0.49 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.59 3i56 h SER 68 Cb 1.24 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.19 3i56 h SER 68 CO 0.62 0.00 -0.56 -0.54 -0.87 0.00 0.00 176.83 175.48 3i56 s LYS 69 N -3.98 1.27 -0.30 4.77 1.02 -1.26 0.02 119.74 121.29 3i56 s LYS 69 Ca -0.03 -1.62 -0.13 0.00 0.02 0.00 0.00 55.97 54.21 3i56 s LYS 69 Cb 0.12 0.29 0.16 0.00 -0.52 0.00 0.00 37.83 37.88 3i56 s LYS 69 CO 0.45 -0.43 0.89 -1.50 -0.92 0.00 0.00 175.35 173.84 3i56 s ILE 70 N -4.09 -0.64 -0.01 2.17 2.07 -1.03 -4.88 121.20 114.78 3i56 s ILE 70 Ca 0.37 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.32 3i56 s ILE 70 Cb 0.06 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.62 3i56 s ILE 70 CO 0.13 0.00 1.01 -0.13 -1.91 0.00 0.00 174.94 174.04 3i56 s ARG 71 N 2.59 4.52 -0.02 3.50 0.52 -1.26 -1.46 118.95 127.35 3i56 s ARG 71 Ca -0.03 1.45 0.02 0.00 -0.52 0.00 0.00 55.73 56.65 3i56 s ARG 71 Cb -0.08 -3.47 0.01 0.00 0.52 0.00 0.00 34.95 31.93 3i56 s ARG 71 CO -0.18 -0.12 -0.05 0.54 0.02 0.00 0.00 175.30 175.51 3i56 s VAL 72 N 1.22 0.48 -0.24 3.52 0.11 0.18 -3.91 120.40 121.75 3i56 s VAL 72 Ca 0.52 -0.20 -0.09 0.00 -2.93 0.00 0.00 61.98 59.28 3i56 s VAL 72 Cb -0.21 -0.44 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 3i56 s VAL 72 CO 0.26 0.16 0.13 -0.60 -3.33 0.00 0.00 175.10 171.73 3i56 s ARG 73 N 0.24 3.96 0.08 1.54 3.52 0.14 0.21 118.95 128.64 3i56 s ARG 73 Ca -0.03 -0.33 0.06 0.00 -0.13 0.00 0.00 55.73 55.31 3i56 s ARG 73 Cb -0.07 -3.47 -0.03 0.00 -1.56 0.00 0.00 34.95 29.82 3i56 s ARG 73 CO -0.00 0.01 -0.17 0.00 -0.81 0.00 0.00 175.30 174.33 3i56 s ALA 74 N 1.17 1.42 0.15 6.12 0.00 -0.67 -0.99 121.76 128.95 3i56 s ALA 74 Ca 0.06 -1.10 0.10 0.00 0.00 0.00 0.00 51.96 51.02 3i56 s ALA 74 Cb -0.14 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 3i56 s ALA 74 CO 0.05 0.24 -0.24 0.00 0.00 0.00 0.00 175.76 175.80 3i56 s ALA 75 N -1.27 2.28 -0.09 0.00 0.00 -0.31 -2.13 121.76 120.24 3i56 s ALA 75 Ca 0.02 -1.48 -0.01 0.00 0.00 0.00 0.00 51.96 50.48 3i56 s ALA 75 Cb -0.10 -0.32 0.03 0.00 0.00 0.00 0.00 23.12 22.73 3i56 s ALA 75 CO 0.03 0.44 -0.02 0.50 0.00 0.00 0.00 175.76 176.72 3i56 s ARG 76 N -2.28 0.86 0.00 0.00 3.52 -1.26 -2.87 118.95 116.92 3i56 s ARG 76 Ca 0.15 -0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.72 3i56 s ARG 76 Cb -0.09 -1.22 0.00 0.00 -1.56 0.00 0.00 34.95 32.08 3i56 s ARG 76 CO 0.07 -0.32 0.00 1.97 -0.81 0.00 0.00 175.30 176.21 3i56 n PHE 77 N 5.08 -0.54 -0.47 5.12 1.16 -1.22 -4.76 117.46 121.83 3i56 n PHE 77 Ca -0.09 0.00 0.06 0.00 -1.87 0.00 0.00 57.45 55.56 3i56 n PHE 77 Cb 0.50 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.35 3i56 n PHE 77 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 3i56 n GLU 78 N 0.00 -0.96 -0.02 3.97 1.02 -1.26 -2.39 120.64 120.99 3i56 n GLU 78 Ca 0.00 0.64 -0.13 0.00 -0.02 0.00 0.00 57.16 57.66 3i56 n GLU 78 Cb 0.00 -1.17 -0.00 0.00 -0.02 0.00 0.00 31.44 30.25 3i56 n GLU 78 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 3i56 h GLU 79 N -0.44 0.68 0.07 3.49 -0.00 -2.03 -3.32 114.58 113.02 3i56 h GLU 79 Ca 0.01 -0.47 -0.35 0.00 -0.00 0.00 0.00 59.36 58.55 3i56 h GLU 79 Cb 0.43 0.07 -0.04 0.00 -0.00 0.00 0.00 28.75 29.22 3i56 h GLU 79 CO 0.00 1.09 -2.04 -1.91 -0.00 0.00 0.00 179.01 176.15 3i56 n GLU 80 N -3.95 0.71 -0.08 1.06 2.13 -1.26 -5.08 120.64 114.16 3i56 n GLU 80 Ca -0.04 0.23 0.00 0.00 0.66 0.00 0.00 57.16 58.01 3i56 n GLU 80 Cb 0.65 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.68 3i56 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i56 n GLY 81 N 1.91 0.55 2.65 8.31 0.00 -1.25 -5.04 105.19 112.32 3i56 n GLY 81 Ca -0.31 -1.02 -0.17 0.00 0.00 0.00 0.00 46.02 44.52 3i56 n GLY 81 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i56 n GLU 82 N 2.70 0.43 -3.59 1.61 -0.00 -1.01 -4.77 120.64 116.02 3i56 n GLU 82 Ca 0.00 -2.75 -0.15 0.00 -0.00 0.00 0.00 57.16 54.27 3i56 n GLU 82 Cb 0.00 2.00 -0.13 0.00 -0.00 0.00 0.00 31.44 33.31 3i56 n GLU 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i56 s ALA 83 N -3.04 -0.49 -0.18 -1.84 0.00 -0.96 -3.37 121.76 111.89 3i56 s ALA 83 Ca 0.27 0.71 -0.12 0.00 0.00 0.00 0.00 51.96 52.82 3i56 s ALA 83 Cb 0.01 -1.14 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 3i56 s ALA 83 CO 0.19 -0.85 0.22 0.42 0.00 0.00 0.00 175.76 175.75 3i56 s ILE 84 N 2.39 5.35 0.05 0.00 1.01 -1.14 -0.22 121.20 128.65 3i56 s ILE 84 Ca 0.04 0.38 0.05 0.00 0.00 0.00 0.00 60.65 61.12 3i56 s ILE 84 Cb -0.13 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 3i56 s ILE 84 CO -0.10 0.41 -0.14 -0.69 0.00 0.00 0.00 174.94 174.43 3i56 s VAL 85 N 0.41 1.09 0.17 2.92 1.01 0.04 -1.17 120.40 124.88 3i56 s VAL 85 Ca 0.13 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 60.93 3i56 s VAL 85 Cb -0.12 -1.01 -0.00 0.00 0.00 0.00 0.00 36.38 35.25 3i56 s VAL 85 CO 0.01 -0.06 0.32 -1.83 0.00 0.00 0.00 175.10 173.54 3i56 s GLU 86 N -1.29 1.19 0.61 2.72 -1.05 -0.16 -0.37 118.70 120.35 3i56 s GLU 86 Ca 0.00 -1.14 -0.09 0.00 -0.15 0.00 0.00 54.97 53.60 3i56 s GLU 86 Cb -0.08 0.40 -0.01 0.00 -0.44 0.00 0.00 34.13 33.99 3i56 s GLU 86 CO 0.01 -0.45 0.98 0.00 0.95 0.00 0.00 175.26 176.75 3i56 s ALA 87 N -3.96 3.14 0.00 -0.84 0.00 -1.26 -0.68 121.76 118.16 3i56 s ALA 87 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.76 3i56 s ALA 87 Cb 0.03 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.27 3i56 s ALA 87 CO -0.00 -0.77 0.35 -0.85 0.00 0.00 0.00 175.76 174.49