#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sb6 s THR 2 N 0.00 4.31 -0.40 1.12 -1.32 -1.26 -2.02 115.64 116.08 1sb6 s THR 2 Ca 0.00 -0.18 -0.05 0.00 -1.21 0.00 0.00 61.69 60.25 1sb6 s THR 2 Cb 0.00 -2.98 0.09 0.00 -1.51 0.00 0.00 72.50 68.10 1sb6 s THR 2 CO 0.00 0.40 0.19 -0.63 -2.21 0.00 0.00 174.62 172.37 1sb6 s ILE 3 N 1.11 3.58 -0.41 5.08 1.09 0.50 -4.99 121.20 127.16 1sb6 s ILE 3 Ca 0.04 -1.72 -0.15 0.00 -1.10 0.00 0.00 60.65 57.72 1sb6 s ILE 3 Cb -0.14 -3.30 0.02 0.00 -1.06 0.00 0.00 42.46 37.98 1sb6 s ILE 3 CO 0.03 -0.54 0.30 -1.58 -0.10 0.00 0.00 174.94 173.05 1sb6 s GLN 4 N 1.26 2.99 0.26 2.79 0.74 -1.26 -0.71 119.66 125.74 1sb6 s GLN 4 Ca 0.04 -1.00 0.09 0.00 0.05 0.00 0.00 55.36 54.54 1sb6 s GLN 4 Cb -0.23 -3.97 -0.04 0.00 1.10 0.00 0.00 33.01 29.87 1sb6 s GLN 4 CO -0.02 -0.74 0.05 -0.51 -0.55 0.00 0.00 175.29 173.52 1sb6 s LEU 5 N 1.69 3.35 -0.24 3.68 1.43 0.30 -4.98 118.68 123.92 1sb6 s LEU 5 Ca 0.05 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1sb6 s LEU 5 Cb -0.19 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.18 1sb6 s LEU 5 CO 0.10 -0.02 -0.09 -0.89 0.23 0.00 0.00 176.35 175.69 1sb6 s THR 6 N -2.28 2.67 -0.67 5.49 2.01 -1.26 -0.80 115.64 120.80 1sb6 s THR 6 Ca 0.32 -1.08 -0.04 0.00 0.31 0.00 0.00 61.69 61.20 1sb6 s THR 6 Cb -0.07 -2.34 0.17 0.00 0.01 0.00 0.00 72.50 70.27 1sb6 s THR 6 CO 0.21 0.23 0.51 0.54 -0.69 0.00 0.00 174.62 175.42 1sb6 s VAL 7 N 1.29 4.00 0.43 3.82 0.11 0.53 -3.10 120.40 127.47 1sb6 s VAL 7 Ca -0.00 -2.99 0.18 0.00 -2.93 0.00 0.00 61.98 56.24 1sb6 s VAL 7 Cb -0.16 -3.57 0.21 0.00 -1.53 0.00 0.00 36.38 31.32 1sb6 s VAL 7 CO -0.06 -0.92 2.00 1.55 -3.33 0.00 0.00 175.10 174.34 1sb6 h PRO 8 N 7.02 0.00 -0.94 1.54 0.13 -1.77 -1.84 132.00 136.14 1sb6 h PRO 8 Ca 0.02 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.97 1sb6 h PRO 8 Cb 0.95 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.97 1sb6 h PRO 8 CO 0.72 0.19 0.23 -2.37 -0.23 0.00 0.00 178.00 176.54 1sb6 n THR 9 N -4.08 1.85 -0.86 1.56 5.66 -1.26 -4.94 114.28 112.21 1sb6 n THR 9 Ca -0.02 -0.85 -0.34 0.00 -3.05 0.00 0.00 64.05 59.79 1sb6 n THR 9 Cb 0.26 -0.65 0.10 0.00 -1.55 0.00 0.00 70.33 68.49 1sb6 n THR 9 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1sb6 n ILE 10 N -0.12 0.00 0.00 1.09 5.41 -0.69 -2.84 119.36 122.21 1sb6 n ILE 10 Ca 0.24 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1sb6 n ILE 10 Cb 0.96 -0.41 0.00 0.00 -0.71 0.00 0.00 39.64 39.48 1sb6 n ILE 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1sb6 n ALA 11 N -3.28 0.00 -1.77 -1.39 0.00 -1.26 -4.87 120.51 107.93 1sb6 n ALA 11 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.11 1sb6 n ALA 11 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.99 1sb6 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sb6 n GLU 13 N -0.52 -1.58 -1.76 0.00 0.00 -1.26 -1.07 120.64 114.44 1sb6 n GLU 13 Ca 0.07 1.06 -0.14 0.00 0.00 0.00 0.00 57.16 58.16 1sb6 n GLU 13 Cb 0.49 -5.28 -0.04 0.00 0.00 0.00 0.00 31.44 26.60 1sb6 n GLU 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1sb6 n ALA 14 N -2.37 -0.40 -0.67 4.31 0.00 -1.26 -4.57 120.51 115.55 1sb6 n ALA 14 Ca -0.03 0.18 0.02 0.00 0.00 0.00 0.00 53.44 53.61 1sb6 n ALA 14 Cb 0.55 -1.51 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 1sb6 n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sb6 h ALA 16 N -0.13 2.22 -0.39 0.00 0.00 -1.81 0.14 119.26 119.30 1sb6 h ALA 16 Ca -0.03 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.98 1sb6 h ALA 16 Cb 0.48 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1sb6 h ALA 16 CO 0.01 -0.63 0.48 1.05 0.00 0.00 0.00 179.25 180.16 1sb6 h GLU 17 N 0.00 0.00 -0.77 0.00 -0.00 -1.92 0.17 114.58 112.06 1sb6 h GLU 17 Ca 0.21 0.00 0.16 0.00 -0.00 0.00 0.00 59.36 59.72 1sb6 h GLU 17 Cb 1.01 0.00 -0.15 0.00 -0.00 0.00 0.00 28.75 29.61 1sb6 h GLU 17 CO -0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 179.01 178.82 1sb6 h ALA 18 N 1.41 0.52 -0.70 1.06 0.00 -0.85 -0.26 119.26 120.43 1sb6 h ALA 18 Ca 0.19 0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 1sb6 h ALA 18 Cb 1.15 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 1sb6 h ALA 18 CO -0.00 -0.41 0.37 -0.24 0.00 0.00 0.00 179.25 178.97 1sb6 h VAL 19 N 0.00 1.22 -0.32 0.00 3.04 -0.86 -0.45 116.25 118.88 1sb6 h VAL 19 Ca 0.37 -0.59 0.07 0.00 -1.01 0.00 0.00 66.70 65.54 1sb6 h VAL 19 Cb 0.57 0.33 -0.07 0.00 -2.01 0.00 0.00 31.29 30.11 1sb6 h VAL 19 CO -0.80 0.25 -0.13 0.74 -1.01 0.00 0.00 177.57 176.62 1sb6 h THR 20 N 0.97 0.57 -0.52 3.17 2.02 -1.13 0.22 112.91 118.21 1sb6 h THR 20 Ca 0.24 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.34 1sb6 h THR 20 Cb 0.07 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1sb6 h THR 20 CO -0.04 0.00 0.00 0.11 0.37 0.00 0.00 175.52 175.97 1sb6 h LYS 21 N -0.08 0.92 0.64 6.66 1.57 -0.64 0.12 116.57 125.76 1sb6 h LYS 21 Ca 0.16 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1sb6 h LYS 21 Cb 0.32 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1sb6 h LYS 21 CO -0.37 0.94 -0.46 0.00 -0.57 0.00 0.00 179.45 178.99 1sb6 h ALA 22 N 0.95 -1.12 -0.85 3.86 0.00 -0.58 -2.81 119.26 118.70 1sb6 h ALA 22 Ca 0.15 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1sb6 h ALA 22 Cb 0.52 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1sb6 h ALA 22 CO 0.03 -1.16 0.50 0.28 0.00 0.00 0.00 179.25 178.90 1sb6 h VAL 23 N -1.06 0.94 -0.08 0.00 2.07 -0.44 0.14 116.25 117.82 1sb6 h VAL 23 Ca -0.08 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.17 1sb6 h VAL 23 Cb 0.87 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1sb6 h VAL 23 CO 0.04 0.16 0.17 1.56 0.02 0.00 0.00 177.57 179.51 1sb6 h GLN 24 N 0.85 0.00 0.18 1.57 1.08 -0.63 0.29 115.11 118.45 1sb6 h GLN 24 Ca 0.40 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.59 1sb6 h GLN 24 Cb 0.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1sb6 h GLN 24 CO -0.23 0.00 -0.08 -0.91 -0.95 0.00 0.00 178.83 176.66 1sb6 h ASN 25 N 0.00 -0.20 0.15 1.46 2.35 -0.47 -3.01 115.58 115.86 1sb6 h ASN 25 Ca 0.04 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1sb6 h ASN 25 Cb 0.37 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1sb6 h ASN 25 CO -0.00 0.01 -0.07 -0.33 -1.65 0.00 0.00 177.43 175.39 1sb6 h GLU 26 N -0.41 -0.19 -4.54 0.81 5.08 -1.37 -3.38 114.58 110.58 1sb6 h GLU 26 Ca -0.02 0.01 -0.73 0.00 -1.00 0.00 0.00 59.36 57.62 1sb6 h GLU 26 Cb 0.32 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 29.47 1sb6 h GLU 26 CO 0.04 -0.13 1.79 -3.47 -1.00 0.00 0.00 179.01 176.24 1sb6 n ASP 27 N -3.31 5.05 0.00 1.42 -0.08 0.92 -4.76 116.55 115.79 1sb6 n ASP 27 Ca -0.02 -3.00 0.08 0.00 -1.51 0.00 0.00 54.79 50.34 1sb6 n ASP 27 Cb 0.08 -1.58 0.37 0.00 2.34 0.00 0.00 41.12 42.33 1sb6 n ASP 27 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sb6 n ALA 28 N 5.62 1.80 -0.33 -1.67 0.00 -1.14 -2.18 120.51 122.61 1sb6 n ALA 28 Ca 0.41 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.88 1sb6 n ALA 28 Cb 0.41 -1.27 0.28 0.00 0.00 0.00 0.00 19.45 18.87 1sb6 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sb6 n GLN 29 N -1.46 2.80 -2.81 0.00 10.64 -1.26 -4.99 117.38 120.29 1sb6 n GLN 29 Ca 0.05 -2.52 -0.37 0.00 -1.83 0.00 0.00 57.00 52.33 1sb6 n GLN 29 Cb 0.18 -1.51 -0.06 0.00 -0.86 0.00 0.00 30.24 27.99 1sb6 n GLN 29 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1sb6 s ALA 30 N -1.03 3.22 -0.08 2.61 0.00 -0.92 -4.93 121.76 120.62 1sb6 s ALA 30 Ca 0.43 0.48 -0.06 0.00 0.00 0.00 0.00 51.96 52.81 1sb6 s ALA 30 Cb 0.22 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1sb6 s ALA 30 CO 0.29 0.19 0.16 0.99 0.00 0.00 0.00 175.76 177.39 1sb6 s THR 31 N -1.65 5.47 -0.02 0.00 2.01 0.08 -5.00 115.64 116.53 1sb6 s THR 31 Ca 0.50 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.62 1sb6 s THR 31 Cb -0.18 -3.46 0.03 0.00 0.01 0.00 0.00 72.50 68.90 1sb6 s THR 31 CO 0.23 0.52 0.02 0.68 -0.69 0.00 0.00 174.62 175.38 1sb6 s VAL 32 N -1.13 0.02 -0.34 3.82 -7.23 -1.26 -0.32 120.40 113.95 1sb6 s VAL 32 Ca 0.19 0.17 -0.01 0.00 -1.81 0.00 0.00 61.98 60.53 1sb6 s VAL 32 Cb -0.12 -0.15 0.13 0.00 0.56 0.00 0.00 36.38 36.80 1sb6 s VAL 32 CO 0.09 0.11 0.20 -1.10 -0.31 0.00 0.00 175.10 174.09 1sb6 s GLN 33 N 1.07 0.53 -0.14 4.82 -0.21 0.37 -5.02 119.66 121.08 1sb6 s GLN 33 Ca -0.09 -1.22 -0.07 0.00 0.02 0.00 0.00 55.36 54.00 1sb6 s GLN 33 Cb -0.13 -1.35 -0.04 0.00 1.00 0.00 0.00 33.01 32.48 1sb6 s GLN 33 CO -0.03 -1.17 0.09 0.54 -2.12 0.00 0.00 175.29 172.61 1sb6 s VAL 34 N 1.22 5.06 -0.90 1.09 0.11 -1.26 -0.54 120.40 125.18 1sb6 s VAL 34 Ca 0.16 0.05 -0.02 0.00 -2.93 0.00 0.00 61.98 59.24 1sb6 s VAL 34 Cb -0.22 -3.23 0.22 0.00 -1.53 0.00 0.00 36.38 31.62 1sb6 s VAL 34 CO -0.06 0.55 0.79 -0.62 -3.33 0.00 0.00 175.10 172.42 1sb6 s ASP 35 N -0.40 6.05 0.66 3.54 -1.08 -0.60 -4.89 116.67 119.95 1sb6 s ASP 35 Ca 0.10 -3.70 0.43 0.00 -0.52 0.00 0.00 52.55 48.86 1sb6 s ASP 35 Cb -0.12 -1.92 2.36 0.00 -1.46 0.00 0.00 42.92 41.78 1sb6 s ASP 35 CO 0.02 -0.19 2.36 -0.07 0.52 0.00 0.00 175.17 177.81 1sb6 h LEU 36 N 6.06 0.00 -1.95 -1.34 4.07 -1.98 0.21 115.31 120.37 1sb6 h LEU 36 Ca 0.16 0.00 0.45 0.00 0.08 0.00 0.00 57.88 58.56 1sb6 h LEU 36 Cb 0.82 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.49 1sb6 h LEU 36 CO 0.86 0.00 1.10 0.74 -1.08 0.00 0.00 178.44 180.06 1sb6 h THR 37 N 0.00 0.22 0.00 0.22 2.02 -1.96 -3.43 112.91 109.98 1sb6 h THR 37 Ca -0.00 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1sb6 h THR 37 Cb 0.00 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1sb6 h THR 37 CO 0.00 0.00 0.00 -1.20 0.37 0.00 0.00 175.52 174.69 1sb6 n SER 38 N -4.11 0.00 -1.11 4.18 7.64 0.06 -5.10 113.62 115.18 1sb6 n SER 38 Ca 0.34 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 60.17 1sb6 n SER 38 Cb 1.59 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 64.73 1sb6 n SER 38 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1sb6 n LYS 39 N 0.00 0.04 -4.31 1.43 2.85 -1.23 -4.91 118.16 112.04 1sb6 n LYS 39 Ca 0.00 -1.14 -0.23 0.00 -1.05 0.00 0.00 58.31 55.90 1sb6 n LYS 39 Cb 0.00 0.43 -0.12 0.00 -0.65 0.00 0.00 35.03 34.69 1sb6 n LYS 39 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 1sb6 s LYS 40 N -0.01 1.19 -0.02 -1.58 0.00 -1.26 -0.35 119.74 117.71 1sb6 s LYS 40 Ca 0.05 -1.28 0.01 0.00 0.00 0.00 0.00 55.97 54.74 1sb6 s LYS 40 Cb 0.06 -1.33 0.02 0.00 0.00 0.00 0.00 37.83 36.57 1sb6 s LYS 40 CO -0.02 0.29 -0.02 0.54 0.00 0.00 0.00 175.35 176.14 1sb6 s VAL 41 N -1.64 0.26 -0.28 1.79 0.11 0.02 -1.55 120.40 119.11 1sb6 s VAL 41 Ca 0.11 -0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 59.10 1sb6 s VAL 41 Cb -0.08 -0.29 0.03 0.00 -1.53 0.00 0.00 36.38 34.51 1sb6 s VAL 41 CO 0.05 0.13 -0.00 -0.89 -3.33 0.00 0.00 175.10 171.06 1sb6 s THR 42 N 0.58 3.19 -0.16 5.04 2.01 0.29 -0.54 115.64 126.05 1sb6 s THR 42 Ca -0.06 -1.09 -0.09 0.00 0.31 0.00 0.00 61.69 60.76 1sb6 s THR 42 Cb -0.09 -2.71 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 1sb6 s THR 42 CO -0.01 0.05 0.15 -0.63 -0.69 0.00 0.00 174.62 173.49 1sb6 s ILE 43 N 1.34 5.43 -0.33 1.82 -1.09 0.11 -0.48 121.20 128.00 1sb6 s ILE 43 Ca -0.01 0.24 0.03 0.00 -2.23 0.00 0.00 60.65 58.67 1sb6 s ILE 43 Cb -0.18 -3.46 0.10 0.00 -1.58 0.00 0.00 42.46 37.34 1sb6 s ILE 43 CO -0.01 0.51 0.07 -0.89 -1.23 0.00 0.00 174.94 173.38 1sb6 s THR 44 N -0.18 1.86 0.34 2.92 2.01 0.56 -0.37 115.64 122.77 1sb6 s THR 44 Ca 0.12 -2.08 -0.05 0.00 0.31 0.00 0.00 61.69 59.98 1sb6 s THR 44 Cb -0.12 -2.38 0.02 0.00 0.01 0.00 0.00 72.50 70.04 1sb6 s THR 44 CO 0.01 -0.63 0.53 -1.54 -0.69 0.00 0.00 174.62 172.30 1sb6 n SER 45 N 4.41 -1.51 -0.02 3.53 3.41 -0.86 -0.74 113.62 121.84 1sb6 n SER 45 Ca 0.02 -2.66 -0.18 0.00 -0.26 0.00 0.00 58.87 55.80 1sb6 n SER 45 Cb 0.42 2.70 -0.14 0.00 -0.26 0.00 0.00 64.21 66.93 1sb6 n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sb6 n ALA 46 N -0.85 1.10 -2.85 7.33 0.00 -1.26 0.36 120.51 124.34 1sb6 n ALA 46 Ca -0.13 -0.70 -0.32 0.00 0.00 0.00 0.00 53.44 52.28 1sb6 n ALA 46 Cb 0.54 -0.66 -0.16 0.00 0.00 0.00 0.00 19.45 19.18 1sb6 n ALA 46 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1sb6 s LEU 47 N -6.71 2.32 0.00 0.00 0.05 -1.26 -4.80 118.68 108.28 1sb6 s LEU 47 Ca -0.19 -0.43 0.00 0.00 0.05 0.00 0.00 54.13 53.56 1sb6 s LEU 47 Cb 0.07 -1.46 0.00 0.00 -2.05 0.00 0.00 46.19 42.75 1sb6 s LEU 47 CO 0.77 0.23 0.00 0.61 -0.55 0.00 0.00 176.35 177.41 1sb6 n GLY 48 N 3.06 -1.43 0.25 -3.48 0.00 -1.26 -4.91 105.19 97.42 1sb6 n GLY 48 Ca -0.18 0.35 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 1sb6 n GLY 48 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sb6 h GLU 49 N 0.00 -0.07 0.14 1.61 4.22 -1.98 0.24 114.58 118.75 1sb6 h GLU 49 Ca 0.00 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.46 1sb6 h GLU 49 Cb 0.00 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1sb6 h GLU 49 CO 0.00 -0.04 -0.44 0.93 -2.18 0.00 0.00 179.01 177.28 1sb6 h GLU 50 N -0.07 -0.66 -0.19 1.92 5.08 -2.00 0.83 114.58 119.49 1sb6 h GLU 50 Ca 0.25 0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.56 1sb6 h GLU 50 Cb 0.45 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1sb6 h GLU 50 CO -0.57 -0.44 -0.22 0.37 -1.00 0.00 0.00 179.01 177.14 1sb6 h GLN 51 N -0.69 0.48 -0.56 2.33 4.15 -1.61 -2.65 115.11 116.57 1sb6 h GLN 51 Ca 0.01 -0.27 0.11 0.00 0.77 0.00 0.00 58.65 59.28 1sb6 h GLN 51 Cb 0.70 0.02 -0.11 0.00 0.21 0.00 0.00 27.48 28.30 1sb6 h GLN 51 CO -0.24 0.85 -0.16 -0.07 -1.93 0.00 0.00 178.83 177.29 1sb6 h LEU 52 N 0.14 -0.57 -0.68 -2.39 3.38 -0.52 0.13 115.31 114.80 1sb6 h LEU 52 Ca 0.03 0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.23 1sb6 h LEU 52 Cb 0.78 0.37 -0.09 0.00 0.09 0.00 0.00 40.66 41.80 1sb6 h LEU 52 CO 0.05 -0.20 -0.50 -0.09 0.09 0.00 0.00 178.44 177.79 1sb6 h ARG 53 N -0.02 -0.12 -0.03 1.13 9.65 -0.46 0.34 114.38 124.87 1sb6 h ARG 53 Ca 0.27 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.14 1sb6 h ARG 53 Cb 0.43 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.04 1sb6 h ARG 53 CO -0.59 -0.08 -0.04 1.15 2.80 0.00 0.00 179.97 183.21 1sb6 h THR 54 N -0.13 1.40 0.51 0.20 2.02 -1.37 -0.99 112.91 114.55 1sb6 h THR 54 Ca 0.11 -1.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.04 1sb6 h THR 54 Cb 0.41 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 1sb6 h THR 54 CO -0.71 0.33 -0.24 0.00 0.37 0.00 0.00 175.52 175.27 1sb6 h ALA 55 N 0.51 -0.68 -0.28 6.16 0.00 -0.43 0.14 119.26 124.68 1sb6 h ALA 55 Ca 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1sb6 h ALA 55 Cb 0.55 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 1sb6 h ALA 55 CO 0.01 -0.87 -0.45 0.82 0.00 0.00 0.00 179.25 178.75 1sb6 h ILE 56 N -0.70 0.10 -0.84 0.00 2.04 -0.44 -2.32 117.51 115.35 1sb6 h ILE 56 Ca -0.07 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.91 1sb6 h ILE 56 Cb 0.53 0.10 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 1sb6 h ILE 56 CO 0.11 0.00 0.55 0.00 0.00 0.00 0.00 178.15 178.81 1sb6 h ALA 57 N 0.19 1.82 -0.37 1.87 0.00 -0.64 0.23 119.26 122.35 1sb6 h ALA 57 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1sb6 h ALA 57 Cb 0.61 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1sb6 h ALA 57 CO -0.50 -0.02 0.25 1.03 0.00 0.00 0.00 179.25 180.01 1sb6 h SER 58 N 0.70 0.26 0.18 0.00 0.87 -0.17 -2.37 113.55 113.02 1sb6 h SER 58 Ca 0.41 -0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.63 1sb6 h SER 58 Cb 0.60 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1sb6 h SER 58 CO -0.17 0.18 -1.67 0.00 -0.53 0.00 0.00 176.83 174.64 1sb6 h ALA 59 N 1.80 0.13 -1.73 6.23 0.00 -0.56 -3.50 119.26 121.63 1sb6 h ALA 59 Ca 0.16 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.96 1sb6 h ALA 59 Cb 0.26 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1sb6 h ALA 59 CO -0.03 0.96 0.00 0.41 0.00 0.00 0.00 179.25 180.58 1sb6 n GLY 60 N 1.83 0.50 3.76 0.00 0.00 0.52 -5.08 105.19 106.72 1sb6 n GLY 60 Ca -0.24 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 1sb6 n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sb6 s HIS 61 N -2.58 3.27 -0.12 1.61 4.02 -1.25 -5.02 115.29 115.22 1sb6 s HIS 61 Ca 0.00 0.23 -0.05 0.00 1.02 0.00 0.00 55.06 56.26 1sb6 s HIS 61 Cb 0.00 -1.77 -0.15 0.00 -1.02 0.00 0.00 32.58 29.64 1sb6 s HIS 61 CO 0.00 0.55 3.25 0.39 1.02 0.00 0.00 174.74 179.94 1sb6 n GLU 62 N 1.55 2.02 -3.81 1.40 -0.58 -1.26 -4.90 120.64 115.06 1sb6 n GLU 62 Ca -0.15 -1.27 -0.35 0.00 -0.42 0.00 0.00 57.16 54.96 1sb6 n GLU 62 Cb 0.53 -1.95 -0.05 0.00 -0.57 0.00 0.00 31.44 29.40 1sb6 n GLU 62 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1sb6 s VAL 63 N 0.03 5.37 -2.26 2.62 0.11 -1.26 -4.40 120.40 120.61 1sb6 s VAL 63 Ca 0.59 0.18 0.30 0.00 -2.93 0.00 0.00 61.98 60.11 1sb6 s VAL 63 Cb 0.31 -3.52 0.72 0.00 -1.53 0.00 0.00 36.38 32.36 1sb6 s VAL 63 CO -0.05 0.46 1.98 -1.84 -3.33 0.00 0.00 175.10 172.31