#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sb6 n THR 2 N 0.00 -3.39 -3.19 3.17 5.66 -1.14 -4.91 114.28 110.47 1sb6 n THR 2 Ca 0.00 -0.53 -0.39 0.00 -3.05 0.00 0.00 64.05 60.08 1sb6 n THR 2 Cb 0.00 -2.77 -0.06 0.00 -1.55 0.00 0.00 70.33 65.95 1sb6 n THR 2 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1sb6 s ILE 3 N -3.40 5.08 -0.56 1.09 -1.09 -0.10 -4.81 121.20 117.40 1sb6 s ILE 3 Ca 0.39 1.08 -0.20 0.00 -2.23 0.00 0.00 60.65 59.69 1sb6 s ILE 3 Cb -0.20 -3.89 0.07 0.00 -1.58 0.00 0.00 42.46 36.86 1sb6 s ILE 3 CO 0.94 0.18 0.72 -1.10 -1.23 0.00 0.00 174.94 174.46 1sb6 s GLN 4 N 1.51 3.11 0.42 2.79 -0.21 -1.26 -0.89 119.66 125.14 1sb6 s GLN 4 Ca 0.27 -0.98 0.08 0.00 0.02 0.00 0.00 55.36 54.75 1sb6 s GLN 4 Cb -0.16 -4.17 0.01 0.00 1.00 0.00 0.00 33.01 29.69 1sb6 s GLN 4 CO 0.11 -1.44 0.57 -0.51 -2.12 0.00 0.00 175.29 171.90 1sb6 s LEU 5 N 2.95 3.67 -0.17 2.90 1.43 0.31 -4.93 118.68 124.84 1sb6 s LEU 5 Ca 0.16 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.86 1sb6 s LEU 5 Cb -0.20 -2.68 0.05 0.00 0.03 0.00 0.00 46.19 43.39 1sb6 s LEU 5 CO 0.10 -0.75 0.00 -0.89 0.23 0.00 0.00 176.35 175.04 1sb6 s THR 6 N -2.36 0.69 -0.65 5.49 2.01 -1.26 -0.61 115.64 118.94 1sb6 s THR 6 Ca 0.54 -0.48 -0.14 0.00 0.31 0.00 0.00 61.69 61.92 1sb6 s THR 6 Cb -0.10 -1.04 0.17 0.00 0.01 0.00 0.00 72.50 71.54 1sb6 s THR 6 CO 0.33 -0.03 0.60 0.54 -0.69 0.00 0.00 174.62 175.37 1sb6 s VAL 7 N 1.80 5.25 0.34 3.82 0.11 -1.12 -4.05 120.40 126.56 1sb6 s VAL 7 Ca 0.00 -1.96 0.23 0.00 -2.93 0.00 0.00 61.98 57.32 1sb6 s VAL 7 Cb -0.16 -4.32 0.23 0.00 -1.53 0.00 0.00 36.38 30.60 1sb6 s VAL 7 CO -0.07 -0.93 1.96 1.55 -3.33 0.00 0.00 175.10 174.28 1sb6 h PRO 8 N 8.35 0.00 -0.73 1.54 0.13 -1.82 -2.04 132.00 137.44 1sb6 h PRO 8 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1sb6 h PRO 8 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1sb6 h PRO 8 CO 0.90 0.20 0.00 -2.37 -0.23 0.00 0.00 178.00 176.50 1sb6 n THR 9 N -3.70 0.59 -1.38 1.56 5.66 -1.26 -4.94 114.28 110.81 1sb6 n THR 9 Ca -0.01 -0.33 -0.41 0.00 -3.05 0.00 0.00 64.05 60.25 1sb6 n THR 9 Cb 0.32 -0.31 0.01 0.00 -1.55 0.00 0.00 70.33 68.80 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 0.13 1.29 -0.54 1.09 5.41 -0.77 -1.71 119.36 124.26 1sb6 n ILE 10 Ca 0.07 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.32 1sb6 n ILE 10 Cb 0.41 -0.33 0.00 0.00 -0.71 0.00 0.00 39.64 39.02 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 -1.10 0.00 0.33 -1.39 0.00 -1.26 -4.88 120.51 112.21 1sb6 n ALA 11 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.40 1sb6 n ALA 11 Cb 0.42 -0.40 -0.07 0.00 0.00 0.00 0.00 19.45 19.39 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 -5.36 0.00 -2.67 0.00 0.00 -1.26 -4.89 120.64 106.46 1sb6 n GLU 13 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 56.96 1sb6 n GLU 13 Cb 0.36 0.00 0.03 0.00 0.00 0.00 0.00 31.44 31.83 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 -3.00 3.38 -0.52 4.31 0.00 -1.26 -5.11 120.51 118.31 1sb6 n ALA 14 Ca 0.00 -3.15 0.06 0.00 0.00 0.00 0.00 53.44 50.35 1sb6 n ALA 14 Cb 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.52 1.49 -1.04 0.00 0.00 -1.94 0.21 119.26 117.47 1sb6 h ALA 16 Ca -0.07 -0.00 0.27 0.00 0.00 0.00 0.00 54.91 55.11 1sb6 h ALA 16 Cb 0.50 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.18 1sb6 h ALA 16 CO 0.03 -0.15 0.64 0.93 0.00 0.00 0.00 179.25 180.70 1sb6 h GLU 17 N 0.00 0.44 -0.24 0.00 4.39 -1.99 -0.08 114.58 117.11 1sb6 h GLU 17 Ca 0.03 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.76 1sb6 h GLU 17 Cb 0.26 -0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 28.73 1sb6 h GLU 17 CO -0.00 0.29 -0.42 0.00 -1.16 0.00 0.00 179.01 177.72 1sb6 h ALA 18 N 1.69 -0.52 -0.68 3.43 0.00 -0.56 0.10 119.26 122.72 1sb6 h ALA 18 Ca 0.64 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.51 1sb6 h ALA 18 Cb 1.45 0.82 -0.03 0.00 0.00 0.00 0.00 17.79 20.04 1sb6 h ALA 18 CO -0.41 -0.90 0.20 -0.24 0.00 0.00 0.00 179.25 177.90 1sb6 h VAL 19 N -0.42 1.26 -0.09 0.00 3.04 -1.38 -0.95 116.25 117.69 1sb6 h VAL 19 Ca 0.10 -0.90 0.04 0.00 -1.01 0.00 0.00 66.70 64.93 1sb6 h VAL 19 Cb 0.61 0.54 -0.06 0.00 -2.01 0.00 0.00 31.29 30.37 1sb6 h VAL 19 CO -0.46 0.35 -0.45 0.74 -1.01 0.00 0.00 177.57 176.73 1sb6 h THR 20 N 1.00 0.10 -0.47 3.17 2.02 -0.15 0.16 112.91 118.74 1sb6 h THR 20 Ca 0.22 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.29 1sb6 h THR 20 Cb 0.32 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1sb6 h THR 20 CO -0.00 0.00 -0.13 0.11 0.37 0.00 0.00 175.52 175.86 1sb6 h LYS 21 N -0.55 0.87 0.29 6.66 1.57 -0.69 -0.36 116.57 124.36 1sb6 h LYS 21 Ca 0.06 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1sb6 h LYS 21 Cb 0.66 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1sb6 h LYS 21 CO -0.39 0.95 -0.29 0.00 -0.57 0.00 0.00 179.45 179.15 1sb6 h ALA 22 N 1.07 -0.61 -0.66 3.86 0.00 -0.71 -2.67 119.26 119.55 1sb6 h ALA 22 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sb6 h ALA 22 Cb 0.65 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1sb6 h ALA 22 CO 0.05 -0.88 0.42 0.28 0.00 0.00 0.00 179.25 179.12 1sb6 h VAL 23 N -0.61 1.18 0.00 0.00 2.07 -0.50 0.02 116.25 118.41 1sb6 h VAL 23 Ca -0.01 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1sb6 h VAL 23 Cb 0.56 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1sb6 h VAL 23 CO -0.06 0.18 0.18 1.56 0.02 0.00 0.00 177.57 179.44 1sb6 h GLN 24 N 0.89 0.00 0.71 1.57 1.08 -0.91 0.14 115.11 118.59 1sb6 h GLN 24 Ca 0.24 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.41 1sb6 h GLN 24 Cb -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1sb6 h GLN 24 CO -0.05 0.00 -0.38 -0.91 -0.95 0.00 0.00 178.83 176.55 1sb6 h ASN 25 N 0.00 -0.91 0.36 1.46 2.35 -0.63 -3.08 115.58 115.12 1sb6 h ASN 25 Ca 0.00 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1sb6 h ASN 25 Cb 0.35 0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1sb6 h ASN 25 CO 0.00 -0.61 -0.17 -0.33 -1.65 0.00 0.00 177.43 174.66 1sb6 h GLU 26 N -1.00 -0.46 -2.50 0.81 4.39 -1.55 -3.38 114.58 110.89 1sb6 h GLU 26 Ca -0.09 0.03 -0.58 0.00 0.34 0.00 0.00 59.36 59.06 1sb6 h GLU 26 Cb 0.78 0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 29.46 1sb6 h GLU 26 CO 0.13 -0.26 1.95 -3.47 -1.16 0.00 0.00 179.01 176.20 1sb6 n ASP 27 N -5.09 7.47 0.26 1.42 -0.08 0.44 -4.65 116.55 116.31 1sb6 n ASP 27 Ca -0.07 -2.88 0.12 0.00 -1.51 0.00 0.00 54.79 50.45 1sb6 n ASP 27 Cb 0.21 -1.40 0.69 0.00 2.34 0.00 0.00 41.12 42.96 1sb6 n ASP 27 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sb6 h ALA 28 N 4.12 1.33 -0.03 -1.67 0.00 -1.72 -0.38 119.26 120.92 1sb6 h ALA 28 Ca 0.61 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1sb6 h ALA 28 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1sb6 h ALA 28 CO 1.24 0.16 0.00 0.00 0.00 0.00 0.00 179.25 180.65 1sb6 n GLN 29 N -3.73 1.68 -2.61 0.00 10.64 -1.26 -4.97 117.38 117.13 1sb6 n GLN 29 Ca -0.02 -0.99 -0.26 0.00 -1.83 0.00 0.00 57.00 53.90 1sb6 n GLN 29 Cb 0.24 -1.47 0.02 0.00 -0.86 0.00 0.00 30.24 28.17 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 -1.98 3.45 -0.05 2.61 0.00 -0.15 -5.04 121.76 120.60 1sb6 s ALA 30 Ca 0.37 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.60 1sb6 s ALA 30 Cb 0.21 -2.46 -0.03 0.00 0.00 0.00 0.00 23.12 20.84 1sb6 s ALA 30 CO 0.33 -0.60 -0.14 0.99 0.00 0.00 0.00 175.76 176.34 1sb6 s THR 31 N -2.82 3.08 -0.02 0.00 2.01 -0.10 -5.02 115.64 112.78 1sb6 s THR 31 Ca 0.51 -0.73 0.04 0.00 0.31 0.00 0.00 61.69 61.82 1sb6 s THR 31 Cb -0.10 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 1sb6 s THR 31 CO 0.43 0.58 -0.14 0.68 -0.69 0.00 0.00 174.62 175.48 1sb6 s VAL 32 N -0.75 1.09 -0.34 3.82 -7.23 -1.26 -0.36 120.40 115.38 1sb6 s VAL 32 Ca 0.12 -0.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.72 1sb6 s VAL 32 Cb -0.11 -0.93 0.14 0.00 0.56 0.00 0.00 36.38 36.05 1sb6 s VAL 32 CO 0.01 0.32 0.27 -1.10 -0.31 0.00 0.00 175.10 174.29 1sb6 s GLN 33 N -0.16 0.48 -0.29 4.82 -1.52 0.38 -4.99 119.66 118.37 1sb6 s GLN 33 Ca 0.02 -0.79 -0.07 0.00 -1.95 0.00 0.00 55.36 52.58 1sb6 s GLN 33 Cb -0.07 -0.94 0.01 0.00 -0.22 0.00 0.00 33.01 31.79 1sb6 s GLN 33 CO 0.00 -1.14 0.07 0.54 -0.25 0.00 0.00 175.29 174.51 1sb6 s VAL 34 N 1.63 3.92 -1.22 1.09 0.11 -1.26 -0.20 120.40 124.47 1sb6 s VAL 34 Ca 0.14 -0.68 -0.11 0.00 -2.93 0.00 0.00 61.98 58.40 1sb6 s VAL 34 Cb -0.17 -3.01 0.19 0.00 -1.53 0.00 0.00 36.38 31.86 1sb6 s VAL 34 CO -0.14 0.10 1.56 -0.67 -3.33 0.00 0.00 175.10 172.63 1sb6 n ASP 35 N 4.86 5.30 0.20 3.54 2.03 -0.79 -4.81 116.55 126.88 1sb6 n ASP 35 Ca -0.15 -3.06 0.18 0.00 0.52 0.00 0.00 54.79 52.28 1sb6 n ASP 35 Cb 0.48 -1.50 0.77 0.00 -0.72 0.00 0.00 41.12 40.15 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 8.46 0.00 -1.24 -2.67 4.07 -1.96 0.37 115.31 122.34 1sb6 h LEU 36 Ca 0.32 0.00 0.40 0.00 0.08 0.00 0.00 57.88 58.68 1sb6 h LEU 36 Cb 0.77 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.42 1sb6 h LEU 36 CO 1.36 0.00 0.84 0.41 -1.08 0.00 0.00 178.44 179.96 1sb6 n THR 37 N -3.35 -0.13 0.00 0.22 -1.04 -1.26 -4.67 114.28 104.05 1sb6 n THR 37 Ca 0.03 1.32 0.00 0.00 -2.04 0.00 0.00 64.05 63.36 1sb6 n THR 37 Cb 0.52 -2.18 0.00 0.00 -1.82 0.00 0.00 70.33 66.85 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 -3.99 0.00 -2.70 8.00 7.64 0.12 -5.10 113.62 117.60 1sb6 n SER 38 Ca 0.33 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 60.15 1sb6 n SER 38 Cb 1.34 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 64.65 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 1.28 -3.99 1.43 2.85 -1.25 -4.99 118.16 113.49 1sb6 n LYS 39 Ca 0.00 -1.93 -0.13 0.00 -1.05 0.00 0.00 58.31 55.20 1sb6 n LYS 39 Cb 0.00 -0.16 -0.14 0.00 -0.65 0.00 0.00 35.03 34.09 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 -0.52 0.21 -0.05 -1.58 -2.85 -1.26 -2.78 119.74 110.91 1sb6 s LYS 40 Ca 0.19 -0.20 -0.02 0.00 -1.00 0.00 0.00 55.97 54.94 1sb6 s LYS 40 Cb 0.42 -0.14 0.04 0.00 -2.06 0.00 0.00 37.83 36.09 1sb6 s LYS 40 CO -0.08 0.03 0.11 0.54 0.10 0.00 0.00 175.35 176.05 1sb6 s VAL 41 N -0.34 -0.09 -0.25 1.79 0.11 0.22 -1.89 120.40 119.96 1sb6 s VAL 41 Ca -0.02 0.24 -0.03 0.00 -2.93 0.00 0.00 61.98 59.24 1sb6 s VAL 41 Cb -0.03 -0.19 0.01 0.00 -1.53 0.00 0.00 36.38 34.64 1sb6 s VAL 41 CO -0.00 0.10 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.95 1sb6 s THR 42 N 1.42 3.18 -0.31 5.04 2.01 0.72 -0.53 115.64 127.17 1sb6 s THR 42 Ca -0.06 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.07 1sb6 s THR 42 Cb -0.12 -2.57 0.04 0.00 0.01 0.00 0.00 72.50 69.86 1sb6 s THR 42 CO -0.05 0.24 0.04 -0.63 -0.69 0.00 0.00 174.62 173.53 1sb6 s ILE 43 N 1.39 3.35 -0.92 1.82 -1.09 -0.06 -0.47 121.20 125.22 1sb6 s ILE 43 Ca 0.02 -1.23 -0.10 0.00 -2.23 0.00 0.00 60.65 57.11 1sb6 s ILE 43 Cb -0.16 -2.89 0.24 0.00 -1.58 0.00 0.00 42.46 38.07 1sb6 s ILE 43 CO -0.03 -0.11 0.86 -0.89 -1.23 0.00 0.00 174.94 173.54 1sb6 s THR 44 N 1.33 5.49 0.31 2.92 2.01 0.51 -0.93 115.64 127.29 1sb6 s THR 44 Ca -0.03 -2.96 0.04 0.00 0.31 0.00 0.00 61.69 59.05 1sb6 s THR 44 Cb -0.19 -4.37 -0.01 0.00 0.01 0.00 0.00 72.50 67.93 1sb6 s THR 44 CO 0.01 -1.08 0.14 -1.54 -0.69 0.00 0.00 174.62 171.46 1sb6 n SER 45 N 3.36 0.76 0.14 3.53 3.41 -1.26 -0.92 113.62 122.63 1sb6 n SER 45 Ca 0.17 -2.74 -0.07 0.00 -0.26 0.00 0.00 58.87 55.98 1sb6 n SER 45 Cb 0.43 0.95 -0.03 0.00 -0.26 0.00 0.00 64.21 65.29 1sb6 n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sb6 h ALA 46 N 1.61 -0.45 -0.55 7.33 0.00 -1.97 0.77 119.26 126.01 1sb6 h ALA 46 Ca -0.24 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1sb6 h ALA 46 Cb 0.97 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1sb6 h ALA 46 CO 0.37 -0.42 0.00 1.47 0.00 0.00 0.00 179.25 180.67 1sb6 n LEU 47 N -5.08 3.92 -0.10 0.00 -0.00 -1.26 -1.36 117.00 113.13 1sb6 n LEU 47 Ca -0.06 -1.98 -0.13 0.00 -0.00 0.00 0.00 56.01 53.85 1sb6 n LEU 47 Cb 0.18 -0.51 -0.08 0.00 -0.00 0.00 0.00 43.42 43.01 1sb6 n LEU 47 CO 0.14 0.70 0.53 1.23 -0.00 0.00 0.00 177.39 179.98 1sb6 h GLY 48 N 4.49 -0.89 -0.33 1.47 0.00 -1.91 -1.34 103.07 104.56 1sb6 h GLY 48 Ca 0.00 0.65 0.04 0.00 0.00 0.00 0.00 47.33 48.03 1sb6 h GLY 48 CO 0.17 -0.16 -0.55 -2.09 0.00 0.00 0.00 176.54 173.91 1sb6 h GLU 49 N -0.43 -0.43 0.15 4.80 4.22 -1.94 0.34 114.58 121.30 1sb6 h GLU 49 Ca 0.08 0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.57 1sb6 h GLU 49 Cb 0.62 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 1sb6 h GLU 49 CO -0.54 -0.29 -0.38 0.93 -2.18 0.00 0.00 179.01 176.55 1sb6 h GLU 50 N -0.45 -0.61 -0.08 1.92 5.08 -1.91 0.38 114.58 118.92 1sb6 h GLU 50 Ca 0.06 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1sb6 h GLU 50 Cb 0.62 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1sb6 h GLU 50 CO -0.55 -0.41 0.05 0.37 -1.00 0.00 0.00 179.01 177.47 1sb6 h GLN 51 N -0.63 0.10 -0.37 2.33 -0.00 -0.19 -1.13 115.11 115.22 1sb6 h GLN 51 Ca 0.02 -0.01 0.08 0.00 -0.00 0.00 0.00 58.65 58.74 1sb6 h GLN 51 Cb 0.65 -0.02 -0.09 0.00 0.00 0.00 0.00 27.48 28.02 1sb6 h GLN 51 CO -0.20 0.07 -0.33 -0.07 0.00 0.00 0.00 178.83 178.30 1sb6 h LEU 52 N 0.10 -1.08 -0.84 -2.39 3.38 -0.34 0.10 115.31 114.25 1sb6 h LEU 52 Ca 0.03 0.19 0.15 0.00 0.09 0.00 0.00 57.88 58.34 1sb6 h LEU 52 Cb -0.01 0.50 -0.15 0.00 0.09 0.00 0.00 40.66 41.08 1sb6 h LEU 52 CO -0.01 -0.32 -0.29 -0.09 0.09 0.00 0.00 178.44 177.82 1sb6 h ARG 53 N -0.27 -0.03 0.14 1.13 9.65 0.37 0.56 114.38 125.92 1sb6 h ARG 53 Ca 0.16 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.04 1sb6 h ARG 53 Cb 0.54 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 1sb6 h ARG 53 CO -0.52 -0.02 -0.07 1.15 2.80 0.00 0.00 179.97 183.31 1sb6 h THR 54 N -0.04 1.01 0.64 0.20 2.02 -1.08 -1.95 112.91 113.72 1sb6 h THR 54 Ca 0.36 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 1sb6 h THR 54 Cb 0.61 1.57 0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1sb6 h THR 54 CO -0.87 0.21 -0.31 0.00 0.37 0.00 0.00 175.52 174.92 1sb6 h ALA 55 N 0.08 -0.86 -0.67 6.16 0.00 0.57 0.18 119.26 124.73 1sb6 h ALA 55 Ca -0.02 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.79 1sb6 h ALA 55 Cb 0.49 0.33 -0.12 0.00 0.00 0.00 0.00 17.79 18.50 1sb6 h ALA 55 CO 0.03 -0.95 -0.41 0.82 0.00 0.00 0.00 179.25 178.75 1sb6 h ILE 56 N -0.93 0.09 -0.85 0.00 2.04 -0.10 -1.36 117.51 116.41 1sb6 h ILE 56 Ca -0.09 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.82 1sb6 h ILE 56 Cb 0.68 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 1sb6 h ILE 56 CO 0.14 0.00 0.55 0.00 0.00 0.00 0.00 178.15 178.85 1sb6 h ALA 57 N 0.85 1.53 -0.58 1.87 0.00 -0.80 0.31 119.26 122.43 1sb6 h ALA 57 Ca 0.22 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1sb6 h ALA 57 Cb 0.56 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1sb6 h ALA 57 CO -0.75 0.36 0.22 1.03 0.00 0.00 0.00 179.25 180.12 1sb6 h SER 58 N 0.99 0.23 0.23 0.00 0.87 0.47 -2.16 113.55 114.18 1sb6 h SER 58 Ca 0.35 0.07 -0.24 0.00 -1.23 0.00 0.00 61.79 60.74 1sb6 h SER 58 Cb 0.13 0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1sb6 h SER 58 CO -0.12 0.15 -0.98 0.00 -0.53 0.00 0.00 176.83 175.35 1sb6 h ALA 59 N 1.39 0.28 -1.66 6.23 0.00 -0.93 -3.49 119.26 121.07 1sb6 h ALA 59 Ca 0.29 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1sb6 h ALA 59 Cb 0.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1sb6 h ALA 59 CO -0.28 0.77 0.00 0.41 0.00 0.00 0.00 179.25 180.15 1sb6 n GLY 60 N 1.00 0.91 3.87 0.00 0.00 0.10 -5.04 105.19 106.03 1sb6 n GLY 60 Ca -0.08 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.55 3.60 -0.72 1.61 4.02 -1.21 -5.01 115.29 115.02 1sb6 s HIS 61 Ca 0.00 0.65 -0.07 0.00 1.02 0.00 0.00 55.06 56.66 1sb6 s HIS 61 Cb 0.00 -2.04 -0.10 0.00 -1.02 0.00 0.00 32.58 29.42 1sb6 s HIS 61 CO 0.00 0.63 3.09 0.39 1.02 0.00 0.00 174.74 179.87 1sb6 n GLU 62 N 1.34 2.93 -4.39 1.40 -0.58 -1.26 -4.88 120.64 115.20 1sb6 n GLU 62 Ca -0.13 -1.96 -0.31 0.00 -0.42 0.00 0.00 57.16 54.34 1sb6 n GLU 62 Cb 0.53 -2.34 -0.10 0.00 -0.57 0.00 0.00 31.44 28.96 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 0.32 3.46 -2.95 2.62 0.11 -1.26 -4.45 120.40 118.26 1sb6 s VAL 63 Ca 0.64 -1.01 0.24 0.00 -2.93 0.00 0.00 61.98 58.93 1sb6 s VAL 63 Cb 0.28 -2.55 0.23 0.00 -1.53 0.00 0.00 36.38 32.80 1sb6 s VAL 63 CO -0.08 0.27 1.31 -0.62 -3.33 0.00 0.00 175.10 172.66