#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bt6 n ASP 5 N nan 0.00 -4.68 1.61 8.00 -1.26 -4.77 116.55 nan 2bt6 n ASP 5 Ca nan 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 nan 2bt6 n ASP 5 Cb nan 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 nan 2bt6 n ASP 5 CO nan 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 nan 2bt6 s LYS 6 N -4.32 2.52 0.20 -1.24 1.02 -1.26 -1.28 119.74 115.38 2bt6 s LYS 6 Ca 0.00 -0.84 0.04 0.00 0.02 0.00 0.00 55.97 55.19 2bt6 s LYS 6 Cb 0.00 -2.52 -0.05 0.00 -0.52 0.00 0.00 37.83 34.74 2bt6 s LYS 6 CO 0.00 0.54 -0.05 0.96 -0.92 0.00 0.00 175.35 175.88 2bt6 s ILE 7 N -1.29 1.19 -0.07 2.17 -4.36 0.01 -4.96 121.20 113.89 2bt6 s ILE 7 Ca 0.25 -2.07 -0.13 0.00 -0.26 0.00 0.00 60.65 58.44 2bt6 s ILE 7 Cb -0.12 -2.15 -0.05 0.00 1.25 0.00 0.00 42.46 41.40 2bt6 s ILE 7 CO 0.17 -0.50 0.33 -0.89 0.24 0.00 0.00 174.94 174.30 2bt6 s THR 8 N -3.32 5.20 -0.04 8.37 2.01 -1.26 -1.05 115.64 125.55 2bt6 s THR 8 Ca 0.24 0.65 0.03 0.00 0.31 0.00 0.00 61.69 62.92 2bt6 s THR 8 Cb 0.04 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.91 2bt6 s THR 8 CO 0.06 0.52 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.68 2bt6 s VAL 9 N -0.53 1.11 -0.18 3.82 1.01 -0.08 -0.10 120.40 125.46 2bt6 s VAL 9 Ca 0.20 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 2bt6 s VAL 9 Cb -0.15 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 2bt6 s VAL 9 CO 0.09 0.33 0.05 -1.00 0.00 0.00 0.00 175.10 174.58 2bt6 s HIS 10 N 0.17 3.24 -0.23 5.22 3.76 -0.30 -1.70 115.29 125.45 2bt6 s HIS 10 Ca -0.05 0.05 -0.04 0.00 -0.15 0.00 0.00 55.06 54.87 2bt6 s HIS 10 Cb -0.11 -2.07 -0.01 0.00 1.11 0.00 0.00 32.58 31.51 2bt6 s HIS 10 CO 0.02 0.15 -0.03 -0.06 -0.85 0.00 0.00 174.74 173.96 2bt6 s PHE 11 N 0.36 2.98 -0.36 1.40 0.40 0.65 -0.69 117.98 122.71 2bt6 s PHE 11 Ca 0.03 -0.90 -0.24 0.00 -0.60 0.00 0.00 56.93 55.21 2bt6 s PHE 11 Cb -0.12 -2.12 0.01 0.00 0.51 0.00 0.00 43.02 41.30 2bt6 s PHE 11 CO 0.00 -0.54 0.84 0.42 0.70 0.00 0.00 175.22 176.64 2bt6 s ILE 12 N 1.49 4.69 0.83 0.64 1.01 0.44 -0.07 121.20 130.22 2bt6 s ILE 12 Ca 0.06 1.05 -0.12 0.00 0.00 0.00 0.00 60.65 61.63 2bt6 s ILE 12 Cb -0.14 -4.25 0.09 0.00 0.01 0.00 0.00 42.46 38.17 2bt6 s ILE 12 CO -0.03 -0.44 1.17 0.21 0.00 0.00 0.00 174.94 175.86 2bt6 s ASN 13 N 1.82 4.34 0.00 3.58 3.84 0.56 -0.62 114.94 128.45 2bt6 s ASN 13 Ca 0.34 0.81 0.24 0.00 0.21 0.00 0.00 52.86 54.46 2bt6 s ASN 13 Cb -0.13 -1.31 1.26 0.00 -0.55 0.00 0.00 41.25 40.52 2bt6 s ASN 13 CO 0.17 -2.01 1.80 -2.11 -2.79 0.00 0.00 177.10 172.16 2bt6 n ARG 14 N -3.39 0.42 -0.23 0.43 1.85 -1.22 -0.88 116.66 113.64 2bt6 n ARG 14 Ca 0.08 0.05 0.08 0.00 -1.00 0.00 0.00 57.85 57.05 2bt6 n ARG 14 Cb 0.61 -1.50 0.21 0.00 -1.05 0.00 0.00 32.46 30.73 2bt6 n ARG 14 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2bt6 n ASP 15 N -1.23 2.46 0.00 2.89 5.75 -1.26 -4.95 116.55 120.21 2bt6 n ASP 15 Ca 0.13 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 2bt6 n ASP 15 Cb 0.17 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 2bt6 n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bt6 n GLY 16 N 1.24 0.88 3.86 6.12 0.00 -0.06 -5.03 105.19 112.21 2bt6 n GLY 16 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2bt6 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bt6 s GLU 17 N -0.03 3.88 -0.21 1.61 0.41 -1.26 -4.79 118.70 118.31 2bt6 s GLU 17 Ca 0.00 0.44 -0.10 0.00 -0.41 0.00 0.00 54.97 54.90 2bt6 s GLU 17 Cb 0.00 -2.55 -0.05 0.00 -1.78 0.00 0.00 34.13 29.75 2bt6 s GLU 17 CO 0.00 0.25 0.13 0.99 -0.49 0.00 0.00 175.26 176.13 2bt6 s THR 18 N -1.89 5.22 -0.22 3.63 2.01 -1.26 -0.33 115.64 122.80 2bt6 s THR 18 Ca 0.50 0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.58 2bt6 s THR 18 Cb -0.11 -3.40 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 2bt6 s THR 18 CO 0.20 0.40 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.75 2bt6 s LEU 19 N 0.70 3.04 -0.12 4.42 1.43 0.90 -4.95 118.68 124.09 2bt6 s LEU 19 Ca 0.07 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.81 2bt6 s LEU 19 Cb -0.12 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 2bt6 s LEU 19 CO 0.01 -0.01 -0.03 -0.89 0.23 0.00 0.00 176.35 175.67 2bt6 s THR 20 N 1.41 4.04 0.32 5.49 2.01 -1.26 -0.25 115.64 127.39 2bt6 s THR 20 Ca 0.05 -0.33 -0.10 0.00 0.31 0.00 0.00 61.69 61.63 2bt6 s THR 20 Cb -0.14 -2.73 0.01 0.00 0.01 0.00 0.00 72.50 69.64 2bt6 s THR 20 CO -0.01 0.54 0.55 0.28 -0.69 0.00 0.00 174.62 175.29 2bt6 s THR 21 N -0.16 0.00 -0.01 -0.82 -1.32 -0.69 -5.02 115.64 107.63 2bt6 s THR 21 Ca 0.04 -1.38 0.04 0.00 -1.21 0.00 0.00 61.69 59.18 2bt6 s THR 21 Cb -0.13 -2.51 -0.03 0.00 -1.51 0.00 0.00 72.50 68.32 2bt6 s THR 21 CO 0.02 0.00 -0.12 -0.54 -2.21 0.00 0.00 174.62 171.77 2bt6 s LYS 22 N -3.28 2.43 0.19 7.08 1.02 -1.26 -0.90 119.74 125.02 2bt6 s LYS 22 Ca 0.24 -0.76 0.05 0.00 0.02 0.00 0.00 55.97 55.51 2bt6 s LYS 22 Cb -0.02 -2.39 -0.05 0.00 -0.52 0.00 0.00 37.83 34.86 2bt6 s LYS 22 CO 0.14 0.60 -0.07 0.20 -0.92 0.00 0.00 175.35 175.30 2bt6 s GLY 23 N -1.14 1.31 0.02 -3.33 0.00 -0.22 -4.96 107.32 99.01 2bt6 s GLY 23 Ca 0.14 -1.62 -0.17 0.00 0.00 0.00 0.00 44.72 43.07 2bt6 s GLY 23 CO 0.04 -1.65 0.47 0.54 0.00 0.00 0.00 173.10 172.50 2bt6 s LYS 24 N -3.77 4.03 0.11 2.90 1.02 -1.26 -0.81 119.74 121.96 2bt6 s LYS 24 Ca 0.22 0.53 -0.36 0.00 0.02 0.00 0.00 55.97 56.38 2bt6 s LYS 24 Cb 0.03 -3.23 -0.16 0.00 -0.52 0.00 0.00 37.83 33.95 2bt6 s LYS 24 CO 0.05 0.66 1.41 -0.89 -0.92 0.00 0.00 175.35 175.65 2bt6 n ILE 25 N 1.84 0.03 0.00 2.17 2.08 -0.40 -1.38 119.36 123.70 2bt6 n ILE 25 Ca -0.12 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.18 2bt6 n ILE 25 Cb 0.52 -1.04 0.00 0.00 -0.75 0.00 0.00 39.64 38.36 2bt6 n ILE 25 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2bt6 n GLY 26 N 2.78 3.00 3.79 7.39 0.00 -0.04 -4.87 105.19 117.24 2bt6 n GLY 26 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2bt6 n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bt6 s ASP 27 N -1.20 6.33 0.67 1.61 1.11 -0.48 -4.55 116.67 120.18 2bt6 s ASP 27 Ca 0.00 1.96 -0.11 0.00 0.18 0.00 0.00 52.55 54.58 2bt6 s ASP 27 Cb 0.00 -2.56 -0.01 0.00 1.07 0.00 0.00 42.92 41.42 2bt6 s ASP 27 CO 0.00 -0.79 1.06 -0.94 1.18 0.00 0.00 175.17 175.68 2bt6 s SER 28 N -1.92 5.68 0.48 0.27 1.04 -1.26 -0.51 113.70 117.47 2bt6 s SER 28 Ca 0.67 1.41 0.22 0.00 0.48 0.00 0.00 55.95 58.72 2bt6 s SER 28 Cb -0.18 -2.33 1.20 0.00 0.10 0.00 0.00 66.02 64.82 2bt6 s SER 28 CO 0.21 -1.23 2.00 -0.07 0.98 0.00 0.00 173.24 175.14 2bt6 h LEU 29 N -0.57 0.00 -0.32 2.42 3.38 -0.98 -1.35 115.31 117.88 2bt6 h LEU 29 Ca -0.44 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 2bt6 h LEU 29 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2bt6 h LEU 29 CO 0.61 0.18 0.11 0.25 0.09 0.00 0.00 178.44 179.68 2bt6 h LEU 30 N 0.00 0.46 -0.89 1.67 5.85 -1.85 -2.21 115.31 118.33 2bt6 h LEU 30 Ca -0.00 -0.19 0.11 0.00 0.84 0.00 0.00 57.88 58.63 2bt6 h LEU 30 Cb 0.40 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 2bt6 h LEU 30 CO 0.02 0.52 0.53 0.44 -0.34 0.00 0.00 178.44 179.62 2bt6 h ASP 31 N 0.36 0.76 -0.45 1.25 3.32 -1.64 -0.19 116.42 119.84 2bt6 h ASP 31 Ca 0.10 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2bt6 h ASP 31 Cb 0.22 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2bt6 h ASP 31 CO -0.01 0.42 0.23 0.58 -1.72 0.00 0.00 179.24 178.75 2bt6 h VAL 32 N 0.86 1.17 -0.24 -1.35 2.07 -1.07 0.13 116.25 117.83 2bt6 h VAL 32 Ca 0.44 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 2bt6 h VAL 32 Cb 0.42 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2bt6 h VAL 32 CO -0.26 0.18 0.06 0.58 0.02 0.00 0.00 177.57 178.16 2bt6 h VAL 33 N 0.58 1.20 0.00 2.57 2.07 -0.73 -2.52 116.25 119.42 2bt6 h VAL 33 Ca 0.16 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 2bt6 h VAL 33 Cb 0.08 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2bt6 h VAL 33 CO -0.02 0.21 -0.00 0.58 0.02 0.00 0.00 177.57 178.36 2bt6 h VAL 34 N 0.21 1.22 -0.02 2.57 2.07 -0.92 -1.29 116.25 120.10 2bt6 h VAL 34 Ca 0.08 -0.66 -0.09 0.00 0.82 0.00 0.00 66.70 66.84 2bt6 h VAL 34 Cb 0.26 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2bt6 h VAL 34 CO -0.00 0.17 -0.42 1.56 0.02 0.00 0.00 177.57 178.90 2bt6 h GLN 35 N -0.29 0.05 -0.51 1.57 4.20 -0.78 -1.95 115.11 117.40 2bt6 h GLN 35 Ca -0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2bt6 h GLN 35 Cb 0.28 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2bt6 h GLN 35 CO 0.00 0.46 0.00 0.09 -0.67 0.00 0.00 178.83 178.71 2bt6 n ASN 36 N -4.04 3.14 -3.84 1.46 3.02 -0.95 -4.97 115.26 109.09 2bt6 n ASN 36 Ca -0.02 -1.97 -0.27 0.00 -0.03 0.00 0.00 54.58 52.29 2bt6 n ASN 36 Cb 0.45 -0.34 0.03 0.00 -0.61 0.00 0.00 39.78 39.32 2bt6 n ASN 36 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2bt6 n ASN 37 N 1.24 -3.67 -4.74 6.41 5.15 -0.73 -4.90 115.26 114.01 2bt6 n ASN 37 Ca 0.20 -0.79 -0.41 0.00 -0.60 0.00 0.00 54.58 52.98 2bt6 n ASN 37 Cb 0.52 -3.97 -0.04 0.00 -0.53 0.00 0.00 39.78 35.76 2bt6 n ASN 37 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2bt6 s LEU 38 N -7.09 4.49 -1.30 1.20 1.43 -0.54 -4.91 118.68 111.95 2bt6 s LEU 38 Ca 0.44 2.22 -0.13 0.00 -1.03 0.00 0.00 54.13 55.63 2bt6 s LEU 38 Cb -0.22 -3.61 0.12 0.00 0.03 0.00 0.00 46.19 42.51 2bt6 s LEU 38 CO 0.82 -0.28 1.80 -0.67 0.23 0.00 0.00 176.35 178.26 2bt6 n ASP 39 N 2.07 4.84 -4.15 2.29 2.03 -1.26 -4.86 116.55 117.51 2bt6 n ASP 39 Ca 0.02 -2.98 -0.35 0.00 0.52 0.00 0.00 54.79 52.01 2bt6 n ASP 39 Cb 0.45 -1.60 -0.14 0.00 -0.72 0.00 0.00 41.12 39.11 2bt6 n ASP 39 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2bt6 s ILE 40 N 2.11 2.90 -0.10 5.18 1.01 -1.26 -5.02 121.20 126.03 2bt6 s ILE 40 Ca 0.45 -1.54 -0.33 0.00 0.00 0.00 0.00 60.65 59.23 2bt6 s ILE 40 Cb 0.06 -2.73 -0.11 0.00 0.01 0.00 0.00 42.46 39.69 2bt6 s ILE 40 CO 0.00 -0.19 1.94 -0.67 0.00 0.00 0.00 174.94 176.02 2bt6 n ASP 41 N 4.58 3.47 0.00 3.58 2.03 -1.26 -2.16 116.55 126.78 2bt6 n ASP 41 Ca -0.11 0.88 0.00 0.00 0.52 0.00 0.00 54.79 56.08 2bt6 n ASP 41 Cb 0.43 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 2bt6 n ASP 41 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2bt6 n GLY 42 N 4.65 0.64 3.70 0.27 0.00 -1.26 -4.97 105.19 108.22 2bt6 n GLY 42 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2bt6 n GLY 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2bt6 s PHE 43 N -2.78 2.98 0.00 1.61 2.19 -0.92 -3.44 117.98 117.63 2bt6 s PHE 43 Ca 0.00 0.82 0.00 0.00 0.33 0.00 0.00 56.93 58.08 2bt6 s PHE 43 Cb 0.00 -3.71 0.00 0.00 -1.31 0.00 0.00 43.02 38.00 2bt6 s PHE 43 CO 0.00 -2.58 0.00 0.41 1.83 0.00 0.00 175.22 174.88 2bt6 n GLY 44 N 3.61 0.57 0.30 13.12 0.00 -1.24 -4.94 105.19 116.62 2bt6 n GLY 44 Ca 0.13 -0.79 -0.01 0.00 0.00 0.00 0.00 46.02 45.35 2bt6 n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bt6 h ALA 45 N 0.00 0.31 -0.03 4.61 0.00 -1.87 -1.53 119.26 120.74 2bt6 h ALA 45 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2bt6 h ALA 45 Cb 0.92 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2bt6 h ALA 45 CO 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 179.25 178.75 2bt6 n GLU 47 N -0.30 -2.62 -1.51 0.00 1.02 -0.58 -3.79 120.64 112.87 2bt6 n GLU 47 Ca 0.19 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 2bt6 n GLU 47 Cb 0.23 -4.57 0.00 0.00 -0.02 0.00 0.00 31.44 27.08 2bt6 n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bt6 n GLY 48 N -1.17 0.62 0.61 0.62 0.00 -1.26 -4.98 105.19 99.63 2bt6 n GLY 48 Ca -0.07 -0.77 0.06 0.00 0.00 0.00 0.00 46.02 45.24 2bt6 n GLY 48 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bt6 n THR 49 N -3.37 1.44 -3.33 2.61 -2.24 -1.25 -4.95 114.28 103.19 2bt6 n THR 49 Ca 0.00 -1.34 -0.22 0.00 -2.27 0.00 0.00 64.05 60.22 2bt6 n THR 49 Cb 0.34 0.23 0.06 0.00 -2.10 0.00 0.00 70.33 68.86 2bt6 n THR 49 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2bt6 n LEU 50 N -0.02 -3.08 -0.06 3.22 4.77 -1.26 -4.90 117.00 115.67 2bt6 n LEU 50 Ca 0.13 -0.42 0.06 0.00 -0.03 0.00 0.00 56.01 55.75 2bt6 n LEU 50 Cb 0.56 -2.89 0.08 0.00 -2.33 0.00 0.00 43.42 38.84 2bt6 n LEU 50 CO 0.09 0.48 0.53 0.00 -1.33 0.00 0.00 177.39 177.15 2bt6 n ALA 51 N -4.36 2.13 -3.41 -1.18 0.00 -1.26 -5.01 120.51 107.42 2bt6 n ALA 51 Ca -0.03 -1.91 -0.09 0.00 0.00 0.00 0.00 53.44 51.40 2bt6 n ALA 51 Cb 0.58 -0.23 -0.03 0.00 0.00 0.00 0.00 19.45 19.76 2bt6 n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bt6 n SER 53 N -0.63 2.67 0.02 0.00 3.41 -1.26 -4.78 113.62 113.05 2bt6 n SER 53 Ca -0.03 -2.11 0.13 0.00 -0.26 0.00 0.00 58.87 56.61 2bt6 n SER 53 Cb 0.61 -0.19 0.49 0.00 -0.26 0.00 0.00 64.21 64.86 2bt6 n SER 53 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2bt6 n THR 54 N 0.05 0.09 -0.04 6.66 -2.24 -1.26 -2.80 114.28 114.73 2bt6 n THR 54 Ca 0.09 -0.05 0.08 0.00 -2.27 0.00 0.00 64.05 61.90 2bt6 n THR 54 Cb 0.41 -0.33 0.27 0.00 -2.10 0.00 0.00 70.33 68.59 2bt6 n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bt6 n HIS 56 N 0.92 2.28 -4.41 0.00 -0.00 -1.12 -0.73 115.22 112.16 2bt6 n HIS 56 Ca 0.20 0.16 -0.22 0.00 0.46 0.00 0.00 57.72 58.32 2bt6 n HIS 56 Cb 0.66 -2.59 -0.13 0.00 -0.12 0.00 0.00 29.99 27.81 2bt6 n HIS 56 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2bt6 s LEU 57 N 2.21 2.20 -0.23 0.27 1.43 -0.15 -4.60 118.68 119.81 2bt6 s LEU 57 Ca 0.85 -0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 53.32 2bt6 s LEU 57 Cb -0.69 -0.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.74 2bt6 s LEU 57 CO 0.44 0.06 0.14 -0.63 0.23 0.00 0.00 176.35 176.59 2bt6 s ILE 58 N -0.93 5.16 0.25 -0.59 1.01 0.20 -1.55 121.20 124.74 2bt6 s ILE 58 Ca 0.04 0.11 0.06 0.00 0.00 0.00 0.00 60.65 60.85 2bt6 s ILE 58 Cb -0.09 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 38.95 2bt6 s ILE 58 CO 0.02 0.36 0.31 -0.36 0.00 0.00 0.00 174.94 175.26 2bt6 s PHE 59 N 1.05 3.32 0.39 3.97 0.40 -0.32 -1.05 117.98 125.74 2bt6 s PHE 59 Ca 0.07 -0.06 -0.26 0.00 -0.60 0.00 0.00 56.93 56.08 2bt6 s PHE 59 Cb -0.14 -1.53 -0.09 0.00 0.51 0.00 0.00 43.02 41.78 2bt6 s PHE 59 CO 0.04 0.45 1.23 -1.21 0.70 0.00 0.00 175.22 176.43 2bt6 s GLU 60 N -3.94 4.07 0.21 0.44 2.02 -1.25 -4.86 118.70 115.39 2bt6 s GLU 60 Ca 0.34 1.99 -0.09 0.00 0.02 0.00 0.00 54.97 57.23 2bt6 s GLU 60 Cb -0.09 -2.76 0.29 0.00 0.10 0.00 0.00 34.13 31.67 2bt6 s GLU 60 CO 0.28 -0.35 1.77 0.37 0.02 0.00 0.00 175.26 177.35 2bt6 h GLN 61 N 2.77 0.52 -0.19 1.61 5.75 -1.97 -0.59 115.11 123.01 2bt6 h GLN 61 Ca -0.49 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 57.94 2bt6 h GLN 61 Cb 1.24 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.66 2bt6 h GLN 61 CO 0.63 0.35 -0.08 1.12 -2.65 0.00 0.00 178.83 178.19 2bt6 h HIS 62 N 0.54 0.30 -0.03 3.99 2.07 -2.01 -2.05 115.15 117.96 2bt6 h HIS 62 Ca 0.32 -0.03 -0.03 0.00 -2.85 0.00 0.00 60.37 57.78 2bt6 h HIS 62 Cb 0.33 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 30.22 2bt6 h HIS 62 CO -0.12 0.38 -0.09 0.82 -3.07 0.00 0.00 177.93 175.85 2bt6 h ILE 63 N 0.28 1.48 -0.92 6.12 1.08 -1.77 -3.34 117.51 120.44 2bt6 h ILE 63 Ca 0.06 -1.54 0.16 0.00 -0.39 0.00 0.00 64.86 63.15 2bt6 h ILE 63 Cb 0.33 2.44 -0.10 0.00 -3.07 0.00 0.00 36.82 36.42 2bt6 h ILE 63 CO 0.02 0.41 0.52 0.15 -0.69 0.00 0.00 178.15 178.56 2bt6 h PHE 64 N -0.48 0.91 0.00 1.37 3.57 -0.73 -1.79 116.94 119.78 2bt6 h PHE 64 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2bt6 h PHE 64 Cb 0.72 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.20 2bt6 h PHE 64 CO 0.14 0.22 0.00 -0.85 -2.23 0.00 0.00 178.31 175.59 2bt6 n GLU 65 N -4.82 0.06 -0.18 1.11 0.28 -0.81 -2.23 120.64 114.05 2bt6 n GLU 65 Ca 0.20 0.23 0.06 0.00 -0.16 0.00 0.00 57.16 57.48 2bt6 n GLU 65 Cb 0.49 -1.60 0.15 0.00 1.43 0.00 0.00 31.44 31.91 2bt6 n GLU 65 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2bt6 n LYS 66 N -1.70 2.78 -1.47 3.44 5.02 -0.68 -5.01 118.16 120.53 2bt6 n LYS 66 Ca 0.04 -2.04 -0.31 0.00 -2.02 0.00 0.00 58.31 53.98 2bt6 n LYS 66 Cb 0.24 -1.28 0.07 0.00 -0.02 0.00 0.00 35.03 34.04 2bt6 n LYS 66 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2bt6 s LEU 67 N -1.00 2.98 0.60 -0.35 1.43 -0.95 -5.00 118.68 116.40 2bt6 s LEU 67 Ca 0.24 1.62 -0.19 0.00 -1.03 0.00 0.00 54.13 54.77 2bt6 s LEU 67 Cb 0.12 -4.39 -0.03 0.00 0.03 0.00 0.00 46.19 41.93 2bt6 s LEU 67 CO 0.16 -1.73 1.22 -1.61 0.23 0.00 0.00 176.35 174.62 2bt6 s GLU 68 N -5.02 2.89 0.27 1.70 0.41 -1.26 -4.89 118.70 112.79 2bt6 s GLU 68 Ca 0.59 1.86 -0.31 0.00 -0.41 0.00 0.00 54.97 56.70 2bt6 s GLU 68 Cb -0.15 -1.91 -0.12 0.00 -1.78 0.00 0.00 34.13 30.17 2bt6 s GLU 68 CO 0.55 -1.28 1.61 0.00 -0.49 0.00 0.00 175.26 175.65 2bt6 n ALA 69 N -1.67 2.44 -1.76 5.21 0.00 -1.26 -4.92 120.51 118.55 2bt6 n ALA 69 Ca 0.14 0.38 -0.40 0.00 0.00 0.00 0.00 53.44 53.56 2bt6 n ALA 69 Cb 0.49 -2.46 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 2bt6 n ALA 69 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2bt6 s ILE 70 N 0.26 3.16 0.45 0.00 2.07 -1.26 -5.03 121.20 120.84 2bt6 s ILE 70 Ca 0.67 1.14 -0.06 0.00 -1.41 0.00 0.00 60.65 60.99 2bt6 s ILE 70 Cb -0.52 -3.71 -0.04 0.00 0.13 0.00 0.00 42.46 38.32 2bt6 s ILE 70 CO 0.45 0.25 0.76 0.42 -1.91 0.00 0.00 174.94 174.91 2bt6 s THR 71 N -1.19 4.90 0.34 4.00 -4.23 -1.26 -4.95 115.64 113.25 2bt6 s THR 71 Ca 0.48 0.24 0.01 0.00 -1.18 0.00 0.00 61.69 61.24 2bt6 s THR 71 Cb -0.35 -3.84 0.25 0.00 1.34 0.00 0.00 72.50 69.91 2bt6 s THR 71 CO 0.45 -0.75 1.99 0.44 -0.54 0.00 0.00 174.62 176.20 2bt6 h ASP 72 N 0.50 0.76 -0.39 3.99 3.32 -1.98 -0.31 116.42 122.30 2bt6 h ASP 72 Ca -0.47 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.52 2bt6 h ASP 72 Cb 1.20 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 2bt6 h ASP 72 CO 0.62 0.57 0.13 -0.08 -1.72 0.00 0.00 179.24 178.76 2bt6 h GLU 73 N 0.88 0.60 -0.34 3.56 4.81 -2.00 -0.35 114.58 121.75 2bt6 h GLU 73 Ca 0.23 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 2bt6 h GLU 73 Cb -0.06 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 2bt6 h GLU 73 CO -0.05 0.60 0.06 1.49 -0.73 0.00 0.00 179.01 180.38 2bt6 h GLU 74 N 0.48 0.57 -0.73 1.92 4.81 -1.88 -3.12 114.58 116.63 2bt6 h GLU 74 Ca 0.13 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 2bt6 h GLU 74 Cb 0.25 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 2bt6 h GLU 74 CO -0.01 0.64 0.29 -0.97 -0.73 0.00 0.00 179.01 178.24 2bt6 h ASN 75 N 0.40 0.99 -0.84 1.04 -1.24 -0.71 0.22 115.58 115.44 2bt6 h ASN 75 Ca 0.10 -0.14 -0.03 0.00 0.71 0.00 0.00 56.30 56.94 2bt6 h ASN 75 Cb 0.35 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 39.10 2bt6 h ASN 75 CO 0.01 0.88 0.41 0.44 -1.29 0.00 0.00 177.43 177.87 2bt6 h ASP 76 N 1.06 1.10 -0.03 1.15 3.32 -1.06 -0.48 116.42 121.47 2bt6 h ASP 76 Ca 0.25 -0.14 -0.13 0.00 0.02 0.00 0.00 57.03 57.03 2bt6 h ASP 76 Cb 0.20 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.47 2bt6 h ASP 76 CO -0.02 0.93 -0.48 -0.03 -1.72 0.00 0.00 179.24 177.91 2bt6 h MET 77 N 1.20 0.38 -0.60 3.56 4.05 -1.40 -3.25 114.93 118.86 2bt6 h MET 77 Ca 0.29 -0.37 0.05 0.00 -0.28 0.00 0.00 59.70 59.39 2bt6 h MET 77 Cb 0.12 0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.98 2bt6 h MET 77 CO -0.04 1.03 0.40 1.25 0.23 0.00 0.00 176.91 179.79 2bt6 h LEU 78 N -0.14 0.56 -2.00 3.39 5.85 -0.85 -0.76 115.31 121.36 2bt6 h LEU 78 Ca -0.05 -0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.81 2bt6 h LEU 78 Cb 1.18 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 2bt6 h LEU 78 CO 0.10 0.37 0.45 0.44 -0.34 0.00 0.00 178.44 179.46 2bt6 h ASP 79 N 0.64 0.00 -0.01 1.25 3.32 -1.11 -1.05 116.42 119.45 2bt6 h ASP 79 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2bt6 h ASP 79 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2bt6 h ASP 79 CO -0.07 0.00 -0.01 0.18 -1.72 0.00 0.00 179.24 177.62 2bt6 n LEU 80 N -4.00 1.83 -4.75 1.55 4.77 -0.29 -4.96 117.00 111.14 2bt6 n LEU 80 Ca 0.10 -0.61 -0.41 0.00 -0.03 0.00 0.00 56.01 55.06 2bt6 n LEU 80 Cb 0.66 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.71 2bt6 n LEU 80 CO 0.32 0.31 0.82 0.00 -1.33 0.00 0.00 177.39 177.50 2bt6 s ALA 81 N -2.02 3.41 0.32 -1.18 0.00 -0.40 -5.00 121.76 116.90 2bt6 s ALA 81 Ca 0.35 0.92 -0.29 0.00 0.00 0.00 0.00 51.96 52.94 2bt6 s ALA 81 Cb 0.21 -3.35 -0.11 0.00 0.00 0.00 0.00 23.12 19.86 2bt6 s ALA 81 CO 0.33 -0.23 1.52 -0.47 0.00 0.00 0.00 175.76 176.91 2bt6 s TYR 82 N -0.88 2.75 -1.04 0.00 5.04 -1.26 -3.11 117.35 118.84 2bt6 s TYR 82 Ca 0.47 0.99 -0.00 0.00 -2.44 0.00 0.00 57.07 56.08 2bt6 s TYR 82 Cb -0.32 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 37.99 2bt6 s TYR 82 CO 0.40 -3.15 0.01 0.41 -1.34 0.00 0.00 175.55 171.88 2bt6 n GLY 83 N 1.48 -0.13 3.73 8.97 0.00 -1.26 -4.88 105.19 113.10 2bt6 n GLY 83 Ca 0.05 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 2bt6 n GLY 83 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2bt6 n LEU 84 N -1.76 4.13 -4.59 0.99 7.94 -1.18 -4.96 117.00 117.57 2bt6 n LEU 84 Ca -0.14 1.13 -0.27 0.00 -1.11 0.00 0.00 56.01 55.62 2bt6 n LEU 84 Cb 0.61 -1.57 -0.10 0.00 0.53 0.00 0.00 43.42 42.89 2bt6 n LEU 84 CO 0.17 0.06 -0.28 0.42 -1.11 0.00 0.00 177.39 176.66 2bt6 s THR 85 N 0.15 1.61 -2.00 1.96 -4.23 -1.26 -5.03 115.64 106.84 2bt6 s THR 85 Ca 0.66 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.28 2bt6 s THR 85 Cb -0.52 -2.80 0.30 0.00 1.34 0.00 0.00 72.50 70.82 2bt6 s THR 85 CO 0.46 0.00 1.32 0.47 -0.54 0.00 0.00 174.62 176.34 2bt6 n ASP 86 N -0.96 0.00 -0.59 3.99 8.00 -1.26 -2.90 116.55 122.84 2bt6 n ASP 86 Ca -0.06 -1.45 0.06 0.00 0.71 0.00 0.00 54.79 54.05 2bt6 n ASP 86 Cb 0.67 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.89 2bt6 n ASP 86 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2bt6 n ARG 87 N -0.69 0.97 -3.76 -1.24 1.74 -1.26 -5.08 116.66 107.35 2bt6 n ARG 87 Ca 0.08 -2.51 -0.36 0.00 -0.77 0.00 0.00 57.85 54.29 2bt6 n ARG 87 Cb 0.04 -1.12 -0.06 0.00 -1.02 0.00 0.00 32.46 30.30 2bt6 n ARG 87 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2bt6 s SER 88 N -2.58 6.51 0.08 0.55 0.01 -1.14 -1.17 113.70 115.96 2bt6 s SER 88 Ca 0.30 0.59 -0.03 0.00 1.31 0.00 0.00 55.95 58.12 2bt6 s SER 88 Cb 0.29 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 64.38 2bt6 s SER 88 CO -0.05 0.32 0.05 -0.13 0.41 0.00 0.00 173.24 173.85 2bt6 s ARG 89 N -1.38 0.77 -0.41 12.44 1.81 -0.60 -4.98 118.95 126.60 2bt6 s ARG 89 Ca 0.22 -1.22 -0.29 0.00 -1.72 0.00 0.00 55.73 52.72 2bt6 s ARG 89 Cb -0.13 0.25 0.02 0.00 -0.45 0.00 0.00 34.95 34.64 2bt6 s ARG 89 CO 0.11 -0.20 1.18 -0.51 -0.68 0.00 0.00 175.30 175.20 2bt6 s LEU 90 N -2.94 3.73 0.51 2.53 1.43 -1.26 -0.98 118.68 121.69 2bt6 s LEU 90 Ca 0.12 0.74 0.24 0.00 -1.03 0.00 0.00 54.13 54.19 2bt6 s LEU 90 Cb 0.07 -3.55 1.33 0.00 0.03 0.00 0.00 46.19 44.07 2bt6 s LEU 90 CO -0.07 -1.17 1.96 1.23 0.23 0.00 0.00 176.35 178.54 2bt6 h GLY 91 N 11.03 0.18 2.00 -3.19 0.00 -1.26 -0.60 103.07 111.23 2bt6 h GLY 91 Ca -0.23 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2bt6 h GLY 91 CO 1.09 0.01 0.00 0.00 0.00 0.00 0.00 176.54 177.64 2bt6 n GLN 93 N -1.69 0.11 -3.73 0.00 1.13 -0.23 -4.79 117.38 108.18 2bt6 n GLN 93 Ca 0.03 -0.08 -0.37 0.00 -1.94 0.00 0.00 57.00 54.64 2bt6 n GLN 93 Cb 0.17 -1.50 -0.12 0.00 0.11 0.00 0.00 30.24 28.90 2bt6 n GLN 93 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2bt6 s ILE 94 N -2.95 4.38 -0.08 5.09 -1.09 -0.87 -5.01 121.20 120.67 2bt6 s ILE 94 Ca 0.11 -0.26 -0.11 0.00 -2.23 0.00 0.00 60.65 58.16 2bt6 s ILE 94 Cb 0.17 -3.11 -0.05 0.00 -1.58 0.00 0.00 42.46 37.89 2bt6 s ILE 94 CO 0.77 0.26 0.28 0.00 -1.23 0.00 0.00 174.94 175.01 2bt6 s LEU 96 N -0.69 4.45 0.30 0.00 1.43 0.33 -4.81 118.68 119.69 2bt6 s LEU 96 Ca 0.18 2.51 0.05 0.00 -1.03 0.00 0.00 54.13 55.85 2bt6 s LEU 96 Cb -0.14 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.39 2bt6 s LEU 96 CO 0.07 -0.45 -0.00 0.42 0.23 0.00 0.00 176.35 176.62 2bt6 s THR 97 N -0.76 1.41 0.53 5.49 -4.23 -1.26 -0.86 115.64 115.95 2bt6 s THR 97 Ca 0.50 -2.06 0.42 0.00 -1.18 0.00 0.00 61.69 59.37 2bt6 s THR 97 Cb -0.37 -2.60 0.43 0.00 1.34 0.00 0.00 72.50 71.31 2bt6 s THR 97 CO 0.46 -0.18 2.28 0.07 -0.54 0.00 0.00 174.62 176.71 2bt6 h LYS 98 N 2.21 0.00 0.00 3.99 2.10 -1.99 -1.56 116.57 121.31 2bt6 h LYS 98 Ca -0.40 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.24 2bt6 h LYS 98 Cb 1.24 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2bt6 h LYS 98 CO 0.69 0.00 -0.03 0.00 -2.00 0.00 0.00 179.45 178.11 2bt6 h ALA 99 N 2.00 1.12 -0.02 0.07 0.00 -2.01 -2.84 119.26 117.59 2bt6 h ALA 99 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2bt6 h ALA 99 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2bt6 h ALA 99 CO 0.00 0.04 -0.02 -1.33 0.00 0.00 0.00 179.25 177.94 2bt6 n MET 100 N -3.30 1.78 -1.69 0.00 2.81 -0.59 -4.88 117.12 111.25 2bt6 n MET 100 Ca -0.02 -1.18 -0.43 0.00 -1.81 0.00 0.00 57.70 54.26 2bt6 n MET 100 Cb 0.17 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.17 2bt6 n MET 100 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2bt6 n ASP 101 N 0.42 3.94 -0.20 7.83 2.03 -1.07 -1.25 116.55 128.24 2bt6 n ASP 101 Ca 0.17 1.00 -0.03 0.00 0.52 0.00 0.00 54.79 56.46 2bt6 n ASP 101 Cb 0.42 -1.53 -0.01 0.00 -0.72 0.00 0.00 41.12 39.27 2bt6 n ASP 101 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2bt6 n ASN 102 N 5.30 -3.88 -4.80 1.67 3.02 0.86 -4.93 115.26 112.50 2bt6 n ASN 102 Ca 0.18 0.07 -0.31 0.00 -0.03 0.00 0.00 54.58 54.48 2bt6 n ASN 102 Cb 0.36 -1.61 0.07 0.00 -0.61 0.00 0.00 39.78 37.98 2bt6 n ASN 102 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bt6 s MET 103 N -1.40 2.69 -0.11 3.52 0.23 -0.38 -4.80 119.30 119.05 2bt6 s MET 103 Ca 0.00 1.04 0.02 0.00 -1.03 0.00 0.00 55.69 55.72 2bt6 s MET 103 Cb 0.00 -1.96 -0.01 0.00 -1.53 0.00 0.00 34.83 31.34 2bt6 s MET 103 CO 0.00 -1.30 -0.20 0.99 -2.03 0.00 0.00 175.02 172.48 2bt6 s THR 104 N -2.99 2.47 0.17 3.16 2.01 -1.26 -1.15 115.64 118.04 2bt6 s THR 104 Ca 0.59 -0.87 0.11 0.00 0.31 0.00 0.00 61.69 61.83 2bt6 s THR 104 Cb -0.15 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 2bt6 s THR 104 CO 0.55 0.55 -0.24 0.68 -0.69 0.00 0.00 174.62 175.47 2bt6 s VAL 105 N 0.34 2.39 -0.02 3.82 -7.23 0.13 -3.88 120.40 115.96 2bt6 s VAL 105 Ca -0.16 -1.90 0.04 0.00 -1.81 0.00 0.00 61.98 58.15 2bt6 s VAL 105 Cb -0.17 -2.12 -0.01 0.00 0.56 0.00 0.00 36.38 34.64 2bt6 s VAL 105 CO 0.08 -0.04 -0.14 -0.60 -0.31 0.00 0.00 175.10 174.09 2bt6 s ARG 106 N -2.47 1.18 -0.34 4.82 3.52 -0.21 -0.42 118.95 125.03 2bt6 s ARG 106 Ca 0.19 -0.49 -0.14 0.00 -0.13 0.00 0.00 55.73 55.16 2bt6 s ARG 106 Cb -0.09 -1.12 -0.02 0.00 -1.56 0.00 0.00 34.95 32.17 2bt6 s ARG 106 CO 0.09 0.28 0.31 0.08 -0.81 0.00 0.00 175.30 175.24 2bt6 s VAL 107 N -0.24 5.22 -2.00 7.11 1.01 0.21 -0.63 120.40 131.08 2bt6 s VAL 107 Ca 0.04 -0.04 0.30 0.00 0.00 0.00 0.00 61.98 62.28 2bt6 s VAL 107 Cb -0.06 -3.76 0.87 0.00 0.00 0.00 0.00 36.38 33.42 2bt6 s VAL 107 CO -0.00 -0.04 2.14 -0.81 0.00 0.00 0.00 175.10 176.39