#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 5.08 -0.92 1.12 -4.23 -1.26 -1.77 115.64 113.66 1sb6 s THR 2 Ca 0.00 -1.72 -0.23 0.00 -1.18 0.00 0.00 61.69 58.55 1sb6 s THR 2 Cb 0.00 -4.58 0.06 0.00 1.34 0.00 0.00 72.50 69.32 1sb6 s THR 2 CO 0.00 -1.21 1.34 -0.63 -0.54 0.00 0.00 174.62 173.57 1sb6 s ILE 3 N 1.76 4.00 -0.49 2.99 -1.09 0.44 -4.84 121.20 123.97 1sb6 s ILE 3 Ca 0.21 -0.57 -0.26 0.00 -2.23 0.00 0.00 60.65 57.80 1sb6 s ILE 3 Cb -0.13 -4.97 0.03 0.00 -1.58 0.00 0.00 42.46 35.81 1sb6 s ILE 3 CO -0.04 -1.83 0.97 -1.10 -1.23 0.00 0.00 174.94 171.71 1sb6 s GLN 4 N 4.80 3.51 0.39 2.79 -0.21 -1.26 -0.91 119.66 128.78 1sb6 s GLN 4 Ca 0.40 0.13 0.08 0.00 0.02 0.00 0.00 55.36 55.99 1sb6 s GLN 4 Cb -0.04 -3.96 -0.05 0.00 1.00 0.00 0.00 33.01 29.97 1sb6 s GLN 4 CO -0.03 -1.33 0.15 -0.51 -2.12 0.00 0.00 175.29 171.45 1sb6 s LEU 5 N 3.97 3.12 -0.07 2.90 1.43 0.38 -4.98 118.68 125.43 1sb6 s LEU 5 Ca 0.37 -1.02 0.04 0.00 -1.03 0.00 0.00 54.13 52.50 1sb6 s LEU 5 Cb -0.10 -1.47 -0.00 0.00 0.03 0.00 0.00 46.19 44.65 1sb6 s LEU 5 CO 0.26 -0.46 -0.21 -0.89 0.23 0.00 0.00 176.35 175.28 1sb6 s THR 6 N -2.56 1.77 -0.76 5.49 2.01 -1.26 -0.63 115.64 119.70 1sb6 s THR 6 Ca 0.40 -0.87 -0.03 0.00 0.31 0.00 0.00 61.69 61.49 1sb6 s THR 6 Cb 0.02 -1.53 0.19 0.00 0.01 0.00 0.00 72.50 71.19 1sb6 s THR 6 CO 0.22 0.50 0.62 0.54 -0.69 0.00 0.00 174.62 175.80 1sb6 s VAL 7 N 0.25 4.17 0.35 3.82 0.11 -1.15 -1.25 120.40 126.69 1sb6 s VAL 7 Ca -0.12 -3.31 0.03 0.00 -2.93 0.00 0.00 61.98 55.64 1sb6 s VAL 7 Cb -0.16 -3.64 0.27 0.00 -1.53 0.00 0.00 36.38 31.32 1sb6 s VAL 7 CO 0.06 -0.98 1.99 1.55 -3.33 0.00 0.00 175.10 174.39 1sb6 h PRO 8 N 6.66 0.84 -1.17 1.54 0.13 -1.80 -2.75 132.00 135.44 1sb6 h PRO 8 Ca 0.07 -0.05 -0.67 0.00 -0.87 0.00 0.00 66.00 64.48 1sb6 h PRO 8 Cb 0.90 -0.19 -0.28 0.00 0.13 0.00 0.00 31.00 31.56 1sb6 h PRO 8 CO 0.77 0.55 0.87 -2.37 -0.23 0.00 0.00 178.00 177.60 1sb6 n THR 9 N -4.45 3.58 -0.97 1.56 5.66 -1.26 -4.99 114.28 113.41 1sb6 n THR 9 Ca 0.08 -3.04 -0.35 0.00 -3.05 0.00 0.00 64.05 57.68 1sb6 n THR 9 Cb 0.08 -1.19 0.07 0.00 -1.55 0.00 0.00 70.33 67.74 1sb6 n THR 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sb6 n ILE 10 N -0.78 0.15 -2.12 1.09 3.06 -1.04 -3.36 119.36 116.36 1sb6 n ILE 10 Ca 0.60 -0.39 -0.18 0.00 -2.50 0.00 0.00 62.75 60.28 1sb6 n ILE 10 Cb 0.60 -0.26 -0.03 0.00 0.54 0.00 0.00 39.64 40.48 1sb6 n ILE 10 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1sb6 n ALA 11 N -2.78 -0.55 -0.07 1.51 0.00 -1.26 -4.88 120.51 112.49 1sb6 n ALA 11 Ca 0.02 0.19 -0.04 0.00 0.00 0.00 0.00 53.44 53.61 1sb6 n ALA 11 Cb 0.54 -1.89 -0.02 0.00 0.00 0.00 0.00 19.45 18.09 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 -4.63 0.00 -1.23 0.00 4.07 -1.26 -4.90 120.64 112.68 1sb6 n GLU 13 Ca -0.07 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.73 1sb6 n GLU 13 Cb 0.24 0.00 0.09 0.00 -0.06 0.00 0.00 31.44 31.71 1sb6 n GLU 13 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1sb6 n ALA 14 N -3.00 5.99 -1.03 4.31 0.00 -1.26 -4.99 120.51 120.54 1sb6 n ALA 14 Ca 0.00 -3.07 0.05 0.00 0.00 0.00 0.00 53.44 50.41 1sb6 n ALA 14 Cb 0.00 -1.66 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 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 -0.31 2.60 -0.22 0.00 0.00 -1.94 0.64 119.26 120.04 1sb6 h ALA 16 Ca -0.05 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1sb6 h ALA 16 Cb 0.77 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1sb6 h ALA 16 CO 0.02 -0.86 0.19 1.05 0.00 0.00 0.00 179.25 179.66 1sb6 h GLU 17 N 0.12 0.00 -0.72 0.00 -0.00 -1.99 0.23 114.58 112.23 1sb6 h GLU 17 Ca 0.42 0.00 0.09 0.00 -0.00 0.00 0.00 59.36 59.86 1sb6 h GLU 17 Cb 1.45 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 30.13 1sb6 h GLU 17 CO -0.06 0.00 0.37 0.00 -0.00 0.00 0.00 179.01 179.32 1sb6 h ALA 18 N 1.82 0.99 -0.63 1.06 0.00 -0.98 0.14 119.26 121.66 1sb6 h ALA 18 Ca 0.10 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1sb6 h ALA 18 Cb 0.49 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1sb6 h ALA 18 CO -0.00 -0.02 0.08 -0.24 0.00 0.00 0.00 179.25 179.07 1sb6 h VAL 19 N 0.64 1.26 -0.05 0.00 3.04 -0.70 0.98 116.25 121.42 1sb6 h VAL 19 Ca 0.35 -1.03 0.04 0.00 -1.01 0.00 0.00 66.70 65.04 1sb6 h VAL 19 Cb 0.34 0.69 -0.06 0.00 -2.01 0.00 0.00 31.29 30.25 1sb6 h VAL 19 CO -0.25 0.38 -0.36 0.74 -1.01 0.00 0.00 177.57 177.07 1sb6 h THR 20 N 0.97 0.23 -0.55 3.17 2.02 -0.99 0.15 112.91 117.91 1sb6 h THR 20 Ca 0.19 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.41 1sb6 h THR 20 Cb 0.45 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 1sb6 h THR 20 CO 0.01 0.00 0.30 0.11 0.37 0.00 0.00 175.52 176.32 1sb6 h LYS 21 N -0.49 0.57 0.60 6.66 1.57 -0.49 0.31 116.57 125.30 1sb6 h LYS 21 Ca 0.07 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1sb6 h LYS 21 Cb 0.60 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1sb6 h LYS 21 CO -0.32 0.38 -0.35 0.00 -0.57 0.00 0.00 179.45 178.59 1sb6 h ALA 22 N 1.27 -0.90 -0.66 3.86 0.00 -0.40 -2.70 119.26 119.74 1sb6 h ALA 22 Ca 0.23 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1sb6 h ALA 22 Cb 0.09 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1sb6 h ALA 22 CO -0.14 -1.02 0.40 0.28 0.00 0.00 0.00 179.25 178.78 1sb6 h VAL 23 N -0.89 1.08 -0.04 0.00 2.07 -0.59 -0.10 116.25 117.79 1sb6 h VAL 23 Ca -0.07 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1sb6 h VAL 23 Cb 0.71 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1sb6 h VAL 23 CO 0.09 0.14 0.24 1.56 0.02 0.00 0.00 177.57 179.62 1sb6 h GLN 24 N 0.79 0.00 0.48 1.57 1.08 -0.75 0.29 115.11 118.57 1sb6 h GLN 24 Ca 0.26 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.44 1sb6 h GLN 24 Cb 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1sb6 h GLN 24 CO -0.11 0.00 -0.23 -0.91 -0.95 0.00 0.00 178.83 176.63 1sb6 h ASN 25 N 0.00 -0.55 0.21 1.46 2.35 -0.68 -3.17 115.58 115.20 1sb6 h ASN 25 Ca 0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1sb6 h ASN 25 Cb 0.50 0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1sb6 h ASN 25 CO -0.00 -0.37 -0.10 -0.33 -1.65 0.00 0.00 177.43 174.98 1sb6 h GLU 26 N -0.68 -0.27 -3.49 0.81 5.08 -1.33 -3.37 114.58 111.32 1sb6 h GLU 26 Ca -0.07 0.02 -0.70 0.00 -1.00 0.00 0.00 59.36 57.61 1sb6 h GLU 26 Cb 0.51 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1sb6 h GLU 26 CO 0.11 -0.18 3.19 -3.47 -1.00 0.00 0.00 179.01 177.66 1sb6 n ASP 27 N -4.12 5.99 0.05 1.42 -0.08 0.89 -4.70 116.55 116.00 1sb6 n ASP 27 Ca -0.04 -2.81 0.07 0.00 -1.51 0.00 0.00 54.79 50.51 1sb6 n ASP 27 Cb 0.11 -1.58 0.32 0.00 2.34 0.00 0.00 41.12 42.31 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 4.64 1.46 -0.04 -1.67 0.00 -1.20 -1.35 120.51 122.36 1sb6 n ALA 28 Ca 0.60 0.02 0.09 0.00 0.00 0.00 0.00 53.44 54.15 1sb6 n ALA 28 Cb 0.32 -1.23 0.20 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.75 2.48 -2.58 0.00 10.64 -1.26 -5.01 117.38 119.89 1sb6 n GLN 29 Ca 0.02 -2.17 -0.32 0.00 -1.83 0.00 0.00 57.00 52.70 1sb6 n GLN 29 Cb 0.13 -1.40 -0.04 0.00 -0.86 0.00 0.00 30.24 28.07 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 -1.11 3.15 -0.02 2.61 0.00 -0.45 -4.97 121.76 120.96 1sb6 s ALA 30 Ca 0.33 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.40 1sb6 s ALA 30 Cb 0.18 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 1sb6 s ALA 30 CO 0.24 -0.12 -0.00 0.99 0.00 0.00 0.00 175.76 176.87 1sb6 s THR 31 N -2.49 4.15 -0.01 0.00 2.01 -0.12 -5.01 115.64 114.17 1sb6 s THR 31 Ca 0.57 -0.52 0.03 0.00 0.31 0.00 0.00 61.69 62.08 1sb6 s THR 31 Cb -0.10 -2.82 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 1sb6 s THR 31 CO 0.29 0.44 -0.11 0.68 -0.69 0.00 0.00 174.62 175.23 1sb6 s VAL 32 N -1.03 0.89 -0.31 3.82 -7.23 -1.26 -0.13 120.40 115.15 1sb6 s VAL 32 Ca 0.18 -0.46 -0.01 0.00 -1.81 0.00 0.00 61.98 59.87 1sb6 s VAL 32 Cb -0.11 -0.75 0.12 0.00 0.56 0.00 0.00 36.38 36.20 1sb6 s VAL 32 CO 0.08 0.26 0.22 -1.10 -0.31 0.00 0.00 175.10 174.24 1sb6 s GLN 33 N -0.15 0.35 -0.24 4.82 -1.52 0.46 -4.98 119.66 118.40 1sb6 s GLN 33 Ca 0.02 -0.63 -0.05 0.00 -1.95 0.00 0.00 55.36 52.75 1sb6 s GLN 33 Cb -0.06 -1.01 -0.01 0.00 -0.22 0.00 0.00 33.01 31.71 1sb6 s GLN 33 CO -0.00 -1.08 0.01 0.54 -0.25 0.00 0.00 175.29 174.50 1sb6 s VAL 34 N 1.88 3.72 -1.17 1.09 0.11 -1.26 -0.24 120.40 124.53 1sb6 s VAL 34 Ca 0.12 -0.43 -0.08 0.00 -2.93 0.00 0.00 61.98 58.66 1sb6 s VAL 34 Cb -0.17 -2.74 0.24 0.00 -1.53 0.00 0.00 36.38 32.18 1sb6 s VAL 34 CO -0.25 0.35 1.55 -0.67 -3.33 0.00 0.00 175.10 172.76 1sb6 n ASP 35 N 4.84 5.66 0.09 3.54 2.03 -0.85 -4.82 116.55 127.05 1sb6 n ASP 35 Ca -0.17 -3.19 0.20 0.00 0.52 0.00 0.00 54.79 52.15 1sb6 n ASP 35 Cb 0.51 -1.40 0.74 0.00 -0.72 0.00 0.00 41.12 40.25 1sb6 n ASP 35 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1sb6 h LEU 36 N 7.07 0.00 -0.74 -2.67 4.07 -1.96 0.51 115.31 121.59 1sb6 h LEU 36 Ca 0.28 0.00 0.26 0.00 0.08 0.00 0.00 57.88 58.50 1sb6 h LEU 36 Cb 0.70 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.30 1sb6 h LEU 36 CO 1.37 0.00 0.22 0.41 -1.08 0.00 0.00 178.44 179.36 1sb6 n THR 37 N -3.69 -0.31 0.00 0.22 -1.04 -1.26 -4.70 114.28 103.50 1sb6 n THR 37 Ca 0.07 1.56 0.00 0.00 -2.04 0.00 0.00 64.05 63.64 1sb6 n THR 37 Cb 0.62 -2.41 0.00 0.00 -1.82 0.00 0.00 70.33 66.72 1sb6 n THR 37 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1sb6 n SER 38 N -4.84 0.00 -2.72 8.00 7.64 0.17 -5.11 113.62 116.76 1sb6 n SER 38 Ca 0.23 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 60.03 1sb6 n SER 38 Cb 0.77 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 64.07 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 1.14 -3.82 1.43 2.85 -1.25 -5.00 118.16 113.51 1sb6 n LYS 39 Ca 0.00 -2.07 -0.12 0.00 -1.05 0.00 0.00 58.31 55.07 1sb6 n LYS 39 Cb 0.00 -0.48 -0.11 0.00 -0.65 0.00 0.00 35.03 33.78 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 -0.26 0.30 -0.07 -1.58 -2.85 -1.26 -2.94 119.74 111.08 1sb6 s LYS 40 Ca 0.23 0.08 -0.04 0.00 -1.00 0.00 0.00 55.97 55.24 1sb6 s LYS 40 Cb 0.38 0.14 0.03 0.00 -2.06 0.00 0.00 37.83 36.32 1sb6 s LYS 40 CO -0.07 -0.05 0.17 0.54 0.10 0.00 0.00 175.35 176.05 1sb6 s VAL 41 N -0.32 -0.03 -0.24 1.79 0.11 0.20 -2.01 120.40 119.90 1sb6 s VAL 41 Ca -0.04 0.10 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 1sb6 s VAL 41 Cb -0.03 -0.27 0.05 0.00 -1.53 0.00 0.00 36.38 34.60 1sb6 s VAL 41 CO 0.01 0.04 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.81 1sb6 s THR 42 N 0.77 2.08 -0.38 5.04 2.01 0.67 -0.47 115.64 125.36 1sb6 s THR 42 Ca -0.06 -1.45 -0.09 0.00 0.31 0.00 0.00 61.69 60.40 1sb6 s THR 42 Cb -0.07 -2.14 0.05 0.00 0.01 0.00 0.00 72.50 70.34 1sb6 s THR 42 CO -0.04 0.09 0.19 -0.63 -0.69 0.00 0.00 174.62 173.54 1sb6 s ILE 43 N 1.17 4.25 -0.65 1.82 -1.09 -0.08 -0.40 121.20 126.22 1sb6 s ILE 43 Ca -0.06 -1.10 -0.21 0.00 -2.23 0.00 0.00 60.65 57.06 1sb6 s ILE 43 Cb -0.18 -3.45 0.09 0.00 -1.58 0.00 0.00 42.46 37.33 1sb6 s ILE 43 CO -0.07 -0.30 0.87 -0.89 -1.23 0.00 0.00 174.94 173.32 1sb6 s THR 44 N 1.47 4.54 0.00 2.92 2.01 0.81 -0.42 115.64 126.98 1sb6 s THR 44 Ca 0.01 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.33 1sb6 s THR 44 Cb -0.20 -4.61 0.00 0.00 0.01 0.00 0.00 72.50 67.69 1sb6 s THR 44 CO 0.04 -1.33 0.00 -1.54 -0.69 0.00 0.00 174.62 171.10 1sb6 n SER 45 N 7.09 0.00 -0.10 3.53 3.41 -0.73 -0.94 113.62 125.89 1sb6 n SER 45 Ca -0.05 -0.91 -0.11 0.00 -0.26 0.00 0.00 58.87 57.55 1sb6 n SER 45 Cb 0.44 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.26 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 -3.00 1.53 0.01 7.33 0.00 -1.26 0.67 120.51 125.79 1sb6 n ALA 46 Ca 0.00 -1.15 0.01 0.00 0.00 0.00 0.00 53.44 52.30 1sb6 n ALA 46 Cb 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 19.45 19.37 1sb6 n ALA 46 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1sb6 n LEU 47 N -2.82 1.91 -0.21 0.00 -0.00 -1.26 -4.79 117.00 109.83 1sb6 n LEU 47 Ca -0.33 -1.68 -0.02 0.00 -0.00 0.00 0.00 56.01 53.98 1sb6 n LEU 47 Cb 1.05 -0.04 0.05 0.00 -0.00 0.00 0.00 43.42 44.48 1sb6 n LEU 47 CO 0.34 0.47 0.70 1.23 -0.00 0.00 0.00 177.39 180.14 1sb6 h GLY 48 N 0.51 0.30 -0.18 1.47 0.00 -1.91 -2.17 103.07 101.09 1sb6 h GLY 48 Ca 0.00 0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.65 1sb6 h GLY 48 CO 0.00 -0.24 -0.48 -2.09 0.00 0.00 0.00 176.54 173.73 1sb6 h GLU 49 N -0.05 -0.44 0.29 4.80 4.81 -1.94 0.35 114.58 122.41 1sb6 h GLU 49 Ca 0.29 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1sb6 h GLU 49 Cb 0.50 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1sb6 h GLU 49 CO -0.67 -0.29 -0.22 0.93 -0.73 0.00 0.00 179.01 178.03 1sb6 h GLU 50 N -0.46 -0.50 -0.01 1.92 5.08 -1.86 -0.17 114.58 118.58 1sb6 h GLU 50 Ca 0.08 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1sb6 h GLU 50 Cb 0.63 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1sb6 h GLU 50 CO -0.49 -0.33 -0.02 0.37 -1.00 0.00 0.00 179.01 177.54 1sb6 h GLN 51 N -0.51 -0.03 -0.18 2.33 5.75 -0.87 -1.83 115.11 119.77 1sb6 h GLN 51 Ca -0.02 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.53 1sb6 h GLN 51 Cb 0.45 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.95 1sb6 h GLN 51 CO -0.00 -0.02 -0.17 -0.07 -2.65 0.00 0.00 178.83 175.92 1sb6 h LEU 52 N -0.03 -0.53 -0.75 -2.39 3.38 -0.31 0.26 115.31 114.94 1sb6 h LEU 52 Ca 0.01 0.10 0.15 0.00 0.09 0.00 0.00 57.88 58.24 1sb6 h LEU 52 Cb 0.05 0.26 -0.10 0.00 0.09 0.00 0.00 40.66 40.95 1sb6 h LEU 52 CO -0.03 -0.21 0.25 -0.09 0.09 0.00 0.00 178.44 178.45 1sb6 h ARG 53 N -0.18 0.35 0.35 1.13 9.65 -0.35 0.33 114.38 125.66 1sb6 h ARG 53 Ca 0.11 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.95 1sb6 h ARG 53 Cb 0.35 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 1sb6 h ARG 53 CO -0.29 0.23 -0.17 1.15 2.80 0.00 0.00 179.97 183.70 1sb6 h THR 54 N 0.36 0.34 0.06 0.20 2.02 -0.90 -2.81 112.91 112.18 1sb6 h THR 54 Ca 0.42 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1sb6 h THR 54 Cb 0.68 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1sb6 h THR 54 CO -0.45 0.08 -0.03 0.00 0.37 0.00 0.00 175.52 175.49 1sb6 h ALA 55 N -0.78 -0.09 -0.23 6.16 0.00 -0.08 0.12 119.26 124.35 1sb6 h ALA 55 Ca -0.05 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1sb6 h ALA 55 Cb 0.49 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 1sb6 h ALA 55 CO 0.08 -0.52 -0.28 0.82 0.00 0.00 0.00 179.25 179.36 1sb6 h ILE 56 N -0.15 0.34 -0.97 0.00 2.04 -0.53 -1.74 117.51 116.50 1sb6 h ILE 56 Ca -0.01 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.96 1sb6 h ILE 56 Cb 0.13 0.34 -0.08 0.00 -0.74 0.00 0.00 36.82 36.47 1sb6 h ILE 56 CO 0.01 0.00 0.62 0.00 0.00 0.00 0.00 178.15 178.78 1sb6 h ALA 57 N 0.67 1.55 -0.37 1.87 0.00 -1.10 0.29 119.26 122.18 1sb6 h ALA 57 Ca 0.13 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1sb6 h ALA 57 Cb 0.50 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1sb6 h ALA 57 CO -0.40 0.23 0.25 1.03 0.00 0.00 0.00 179.25 180.37 1sb6 h SER 58 N 0.98 0.18 0.26 0.00 0.87 0.08 -2.41 113.55 113.51 1sb6 h SER 58 Ca 0.46 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.68 1sb6 h SER 58 Cb 0.43 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1sb6 h SER 58 CO -0.22 0.12 -1.77 0.00 -0.53 0.00 0.00 176.83 174.43 1sb6 h ALA 59 N 1.81 0.30 -1.75 6.23 0.00 -0.35 -3.50 119.26 122.00 1sb6 h ALA 59 Ca 0.17 -1.23 0.00 0.00 0.00 0.00 0.00 54.91 53.85 1sb6 h ALA 59 Cb 0.40 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1sb6 h ALA 59 CO -0.03 1.17 0.00 0.41 0.00 0.00 0.00 179.25 180.80 1sb6 n GLY 60 N 1.83 0.41 3.31 0.00 0.00 0.79 -4.92 105.19 106.61 1sb6 n GLY 60 Ca -0.24 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 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 2.15 -0.73 1.61 4.02 -1.24 -4.88 115.29 113.64 1sb6 s HIS 61 Ca 0.00 -0.40 -0.07 0.00 1.02 0.00 0.00 55.06 55.61 1sb6 s HIS 61 Cb 0.00 -1.30 -0.11 0.00 -1.02 0.00 0.00 32.58 30.15 1sb6 s HIS 61 CO 0.00 0.09 3.13 0.39 1.02 0.00 0.00 174.74 179.38 1sb6 n GLU 62 N 1.90 2.91 -2.84 1.40 1.02 -1.26 -4.75 120.64 119.02 1sb6 n GLU 62 Ca -0.17 -1.89 -0.38 0.00 -0.02 0.00 0.00 57.16 54.70 1sb6 n GLU 62 Cb 0.52 -2.34 -0.06 0.00 -0.02 0.00 0.00 31.44 29.54 1sb6 n GLU 62 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1sb6 s VAL 63 N 0.54 4.25 0.00 2.62 1.01 -1.26 -4.41 120.40 123.14 1sb6 s VAL 63 Ca 0.65 1.80 0.00 0.00 0.00 0.00 0.00 61.98 64.43 1sb6 s VAL 63 Cb 0.27 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1sb6 s VAL 63 CO -0.07 0.27 0.04 1.21 0.00 0.00 0.00 175.10 176.55