#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mt1 s ILE 5 N 0.00 0.00 -0.51 -3.67 2.07 -1.26 -5.11 121.20 112.72 1mt1 s ILE 5 Ca 0.00 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.18 1mt1 s ILE 5 Cb 0.00 -1.00 0.13 0.00 0.13 0.00 0.00 42.46 41.72 1mt1 s ILE 5 CO 0.00 0.00 0.36 0.21 -1.91 0.00 0.00 174.94 173.60 1mt1 s ASN 6 N 0.46 5.56 0.57 4.50 3.84 -1.26 -4.96 114.94 123.65 1mt1 s ASN 6 Ca -0.00 -2.20 0.26 0.00 0.21 0.00 0.00 52.86 51.13 1mt1 s ASN 6 Cb -0.05 -1.94 1.57 0.00 -0.55 0.00 0.00 41.25 40.28 1mt1 s ASN 6 CO -0.02 -0.58 2.11 1.55 -2.79 0.00 0.00 177.10 177.37 1mt1 h PRO 7 N 7.99 0.00 -0.13 0.43 0.13 -1.91 0.41 132.00 138.92 1mt1 h PRO 7 Ca -0.12 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.92 1mt1 h PRO 7 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1mt1 h PRO 7 CO 0.78 0.00 -0.30 -0.07 -0.23 0.00 0.00 178.00 178.18 1mt1 h LEU 8 N 0.00 0.24 0.04 1.56 4.07 -1.96 -3.13 115.31 116.13 1mt1 h LEU 8 Ca 0.09 -0.08 -0.34 0.00 0.08 0.00 0.00 57.88 57.63 1mt1 h LEU 8 Cb 0.45 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 42.08 1mt1 h LEU 8 CO -0.00 0.54 -1.99 1.41 -1.08 0.00 0.00 178.44 177.32 1mt1 n HIS 9 N -4.12 0.84 -2.25 1.13 8.25 -0.51 -4.44 115.22 114.12 1mt1 n HIS 9 Ca -0.01 0.24 -0.41 0.00 -0.26 0.00 0.00 57.72 57.28 1mt1 n HIS 9 Cb 0.40 -1.13 0.00 0.00 1.12 0.00 0.00 29.99 30.38 1mt1 n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mt1 n ALA 10 N -2.81 6.23 0.15 -1.41 0.00 0.02 -4.77 120.51 117.91 1mt1 n ALA 10 Ca -0.28 -4.28 0.14 0.00 0.00 0.00 0.00 53.44 49.03 1mt1 n ALA 10 Cb 1.06 -2.70 0.69 0.00 0.00 0.00 0.00 19.45 18.50 1mt1 n ALA 10 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 1mt1 h TYR 11 N 4.88 0.00 0.00 0.00 -0.00 -1.77 -1.48 116.97 118.61 1mt1 h TYR 11 Ca 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 59.25 1mt1 h TYR 11 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.13 1mt1 h TYR 11 CO 1.43 0.00 -0.19 0.27 -0.00 0.00 0.00 178.16 179.68 1mt1 h PHE 12 N 0.00 0.00 -3.17 0.10 -5.15 -1.89 -3.40 116.94 103.43 1mt1 h PHE 12 Ca 0.12 0.00 -0.75 0.00 -0.20 0.00 0.00 57.97 57.13 1mt1 h PHE 12 Cb 0.48 0.00 -0.23 0.00 0.22 0.00 0.00 35.95 36.43 1mt1 h PHE 12 CO 0.00 0.19 0.50 0.21 -2.00 0.00 0.00 178.31 177.21 1mt1 s LYS 13 N -3.24 3.71 0.26 6.09 2.20 -0.56 -5.04 119.74 123.17 1mt1 s LYS 13 Ca 0.05 -2.32 -0.27 0.00 -0.36 0.00 0.00 55.97 53.07 1mt1 s LYS 13 Cb 0.07 -4.67 -0.09 0.00 -1.51 0.00 0.00 37.83 31.63 1mt1 s LYS 13 CO 0.68 -1.49 0.90 -0.51 -0.36 0.00 0.00 175.35 174.56 1mt1 s LEU 14 N 0.99 4.50 0.53 5.43 1.02 -1.26 -4.93 118.68 124.95 1mt1 s LEU 14 Ca 0.27 1.82 -0.22 0.00 0.02 0.00 0.00 54.13 56.02 1mt1 s LEU 14 Cb -0.08 -3.71 -0.06 0.00 0.02 0.00 0.00 46.19 42.36 1mt1 s LEU 14 CO -0.08 0.07 1.18 -2.65 0.02 0.00 0.00 176.35 174.89 1mt1 n PRO 15 N 1.09 1.44 -0.06 1.29 -0.02 -1.26 -4.94 135.00 132.55 1mt1 n PRO 15 Ca -0.01 0.53 0.02 0.00 -2.02 0.00 0.00 63.50 62.02 1mt1 n PRO 15 Cb 0.49 -2.35 0.03 0.00 -0.02 0.00 0.00 33.50 31.65 1mt1 n PRO 15 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1mt1 n ASN 16 N -0.53 1.45 -3.96 2.55 2.04 -1.26 -5.04 115.26 110.51 1mt1 n ASN 16 Ca 0.11 -1.99 -0.09 0.00 -0.44 0.00 0.00 54.58 52.17 1mt1 n ASN 16 Cb 0.44 -0.10 -0.11 0.00 -2.53 0.00 0.00 39.78 37.48 1mt1 n ASN 16 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1mt1 s THR 17 N -1.05 0.10 -0.03 5.53 -4.23 -1.26 -5.15 115.64 109.55 1mt1 s THR 17 Ca 0.06 -0.85 0.01 0.00 -1.18 0.00 0.00 61.69 59.73 1mt1 s THR 17 Cb 0.05 -0.28 0.02 0.00 1.34 0.00 0.00 72.50 73.63 1mt1 s THR 17 CO 0.01 -0.47 -0.05 0.54 -0.54 0.00 0.00 174.62 174.11 1mt1 s VAL 18 N -1.41 0.48 -0.06 2.29 0.11 -1.26 -5.14 120.40 115.41 1mt1 s VAL 18 Ca -0.15 -0.14 0.03 0.00 -2.93 0.00 0.00 61.98 58.79 1mt1 s VAL 18 Cb -0.09 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.27 1mt1 s VAL 18 CO -0.01 0.19 -0.15 -0.44 -3.33 0.00 0.00 175.10 171.36 1mt1 s SER 19 N 0.61 2.03 -0.18 3.54 0.01 -1.26 -5.13 113.70 113.33 1mt1 s SER 19 Ca -0.08 -0.34 -0.13 0.00 1.31 0.00 0.00 55.95 56.71 1mt1 s SER 19 Cb -0.11 -0.76 -0.05 0.00 0.21 0.00 0.00 66.02 65.31 1mt1 s SER 19 CO -0.00 0.10 0.28 -0.76 0.41 0.00 0.00 173.24 173.27 1mt1 s LEU 20 N 0.34 4.22 0.07 2.44 1.43 -1.26 -5.08 118.68 120.84 1mt1 s LEU 20 Ca -0.10 0.45 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 1mt1 s LEU 20 Cb -0.14 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 1mt1 s LEU 20 CO 0.03 0.08 -0.05 0.68 0.23 0.00 0.00 176.35 177.33 1mt1 s VAL 21 N 0.61 0.44 0.04 -1.59 -7.23 -1.26 -5.17 120.40 106.25 1mt1 s VAL 21 Ca 0.15 -1.67 -0.26 0.00 -1.81 0.00 0.00 61.98 58.39 1mt1 s VAL 21 Cb -0.13 -1.34 0.06 0.00 0.56 0.00 0.00 36.38 35.54 1mt1 s VAL 21 CO 0.04 -0.82 0.60 0.00 -0.31 0.00 0.00 175.10 174.61 1mt1 s ALA 22 N -3.22 -1.57 0.01 1.32 0.00 -1.26 -5.10 121.76 111.93 1mt1 s ALA 22 Ca 0.04 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 52.55 1mt1 s ALA 22 Cb 0.03 0.39 0.11 0.00 0.00 0.00 0.00 23.12 23.65 1mt1 s ALA 22 CO -0.06 -0.53 1.25 0.20 0.00 0.00 0.00 175.76 176.62 1mt1 s GLY 23 N -1.91 -0.33 0.18 0.00 0.00 -1.26 -4.17 107.32 99.83 1mt1 s GLY 23 Ca -0.06 0.49 -0.10 0.00 0.00 0.00 0.00 44.72 45.06 1mt1 s GLY 23 CO -0.01 1.11 0.33 -1.35 0.00 0.00 0.00 173.10 173.18 1mt1 s SER 24 N -3.13 -0.00 -0.10 1.64 1.04 -1.26 -4.88 113.70 107.00 1mt1 s SER 24 Ca 0.17 -0.84 -0.32 0.00 0.48 0.00 0.00 55.95 55.43 1mt1 s SER 24 Cb 0.03 0.46 0.12 0.00 0.10 0.00 0.00 66.02 66.74 1mt1 s SER 24 CO -0.02 -0.93 1.06 -0.55 0.98 0.00 0.00 173.24 173.78 1mt1 s SER 25 N -2.97 -0.24 0.32 7.02 0.15 -1.26 -4.48 113.70 112.25 1mt1 s SER 25 Ca 0.17 -0.00 0.01 0.00 0.70 0.00 0.00 55.95 56.83 1mt1 s SER 25 Cb 0.03 0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 64.56 1mt1 s SER 25 CO 0.01 -0.41 0.51 -0.70 1.20 0.00 0.00 173.24 173.85 1mt1 s GLU 26 N -2.74 3.49 0.04 5.44 2.56 -1.26 -4.82 118.70 121.41 1mt1 s GLU 26 Ca 0.07 -0.38 -0.27 0.00 0.00 0.00 0.00 54.97 54.40 1mt1 s GLU 26 Cb -0.01 -2.71 0.09 0.00 2.00 0.00 0.00 34.13 33.50 1mt1 s GLU 26 CO -0.07 0.21 0.74 0.20 -0.56 0.00 0.00 175.26 175.78 1mt1 s GLY 27 N -3.93 -0.53 0.34 -1.50 0.00 -1.26 -4.48 107.32 95.96 1mt1 s GLY 27 Ca 0.39 0.97 0.18 0.00 0.00 0.00 0.00 44.72 46.26 1mt1 s GLY 27 CO 0.34 0.46 1.58 0.83 0.00 0.00 0.00 173.10 176.31 1mt1 h GLU 28 N 2.25 0.00 -4.44 2.90 5.08 -2.00 -3.45 114.58 114.93 1mt1 h GLU 28 Ca -0.28 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.91 1mt1 h GLU 28 Cb 1.24 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.34 1mt1 h GLU 28 CO 0.35 0.37 -0.68 0.95 -1.00 0.00 0.00 179.01 179.00 1mt1 s THR 29 N -3.20 0.42 0.22 1.13 -4.23 -1.26 -5.04 115.64 103.68 1mt1 s THR 29 Ca 0.03 -1.87 -0.08 0.00 -1.18 0.00 0.00 61.69 58.59 1mt1 s THR 29 Cb 0.08 -1.64 0.16 0.00 1.34 0.00 0.00 72.50 72.44 1mt1 s THR 29 CO 0.71 -0.90 1.75 -0.65 -0.54 0.00 0.00 174.62 174.99 1mt1 h PRO 30 N 3.04 0.43 -0.49 3.99 0.11 -2.00 -0.84 132.00 136.24 1mt1 h PRO 30 Ca -0.35 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.62 1mt1 h PRO 30 Cb 1.16 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1mt1 h PRO 30 CO 0.65 0.29 -0.16 1.25 -0.21 0.00 0.00 178.00 179.82 1mt1 h LEU 31 N 0.44 0.96 -0.97 2.35 5.85 -1.99 -1.09 115.31 120.87 1mt1 h LEU 31 Ca 0.33 -0.33 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 1mt1 h LEU 31 Cb 0.42 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1mt1 h LEU 31 CO -0.32 1.10 -0.31 0.78 -0.34 0.00 0.00 178.44 179.35 1mt1 h ASN 32 N 0.83 0.38 -0.39 1.25 2.35 -1.82 0.32 115.58 118.51 1mt1 h ASN 32 Ca 0.12 -0.14 -0.15 0.00 -0.55 0.00 0.00 56.30 55.58 1mt1 h ASN 32 Cb 0.71 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 1mt1 h ASN 32 CO 0.05 0.67 -0.36 0.00 -1.65 0.00 0.00 177.43 176.15 1mt1 h ALA 33 N 1.35 0.57 -0.30 -0.83 0.00 -0.95 0.42 119.26 119.52 1mt1 h ALA 33 Ca 0.04 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1mt1 h ALA 33 Cb 0.71 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1mt1 h ALA 33 CO 0.05 0.66 0.15 0.35 0.00 0.00 0.00 179.25 180.46 1mt1 h PHE 34 N 0.75 0.42 -0.67 0.00 3.57 -0.91 0.12 116.94 120.22 1mt1 h PHE 34 Ca 0.06 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.59 1mt1 h PHE 34 Cb 0.96 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.52 1mt1 h PHE 34 CO 0.06 0.37 0.39 0.22 -2.23 0.00 0.00 178.31 177.13 1mt1 h ASP 35 N 0.35 0.62 -0.31 0.41 3.58 -0.78 -0.84 116.42 119.45 1mt1 h ASP 35 Ca 0.10 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.51 1mt1 h ASP 35 Cb 0.10 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 1mt1 h ASP 35 CO -0.01 0.42 0.02 1.23 -2.88 0.00 0.00 179.24 178.01 1mt1 h GLY 36 N 0.75 0.69 1.25 -0.78 0.00 -0.39 -1.96 103.07 102.64 1mt1 h GLY 36 Ca 0.28 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 47.08 1mt1 h GLY 36 CO -0.14 0.39 -0.21 0.00 0.00 0.00 0.00 176.54 176.58 1mt1 h ALA 37 N 1.42 0.82 -0.25 3.60 0.00 0.39 -1.60 119.26 123.64 1mt1 h ALA 37 Ca 0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1mt1 h ALA 37 Cb 0.35 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1mt1 h ALA 37 CO 0.01 0.65 0.11 -0.07 0.00 0.00 0.00 179.25 179.94 1mt1 h LEU 38 N 0.75 0.34 -0.42 0.00 3.38 -0.69 -0.25 115.31 118.41 1mt1 h LEU 38 Ca 0.10 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1mt1 h LEU 38 Cb 0.74 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1mt1 h LEU 38 CO 0.06 0.39 0.28 -0.07 0.09 0.00 0.00 178.44 179.19 1mt1 h LEU 39 N 0.26 0.48 -1.51 1.67 3.38 -1.29 -0.75 115.31 117.54 1mt1 h LEU 39 Ca 0.08 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1mt1 h LEU 39 Cb 0.15 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1mt1 h LEU 39 CO -0.01 0.35 0.06 -1.13 0.09 0.00 0.00 178.44 177.80 1mt1 h ASN 40 N 0.57 0.34 1.20 -0.43 -0.73 -1.11 -1.04 115.58 114.39 1mt1 h ASN 40 Ca 0.16 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.29 1mt1 h ASN 40 Cb -0.06 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 38.44 1mt1 h ASN 40 CO -0.04 0.36 0.00 0.00 -0.37 0.00 0.00 177.43 177.38 1mt1 n ALA 41 N -2.49 2.05 -0.55 1.57 0.00 -0.12 -4.80 120.51 116.17 1mt1 n ALA 41 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1mt1 n ALA 41 Cb 0.16 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1mt1 n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mt1 n GLY 42 N 0.82 0.68 2.08 0.00 0.00 -0.39 -4.50 105.19 103.88 1mt1 n GLY 42 Ca 0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 1mt1 n GLY 42 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1mt1 n ILE 43 N -2.55 1.08 0.61 -0.61 -5.35 -0.38 -4.94 119.36 107.22 1mt1 n ILE 43 Ca 0.00 -2.46 0.13 0.00 -0.27 0.00 0.00 62.75 60.15 1mt1 n ILE 43 Cb 0.00 0.77 0.44 0.00 -1.74 0.00 0.00 39.64 39.11 1mt1 n ILE 43 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mt1 n GLY 44 N -0.29 -1.60 1.81 3.28 0.00 -0.97 -4.03 105.19 103.41 1mt1 n GLY 44 Ca 0.12 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1mt1 n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mt1 n ASN 45 N -2.18 4.67 -4.21 1.61 3.02 -1.26 -4.73 115.26 112.17 1mt1 n ASN 45 Ca 0.05 -3.78 -0.12 0.00 -0.03 0.00 0.00 54.58 50.70 1mt1 n ASN 45 Cb 0.38 -0.47 -0.10 0.00 -0.61 0.00 0.00 39.78 38.98 1mt1 n ASN 45 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1mt1 s VAL 46 N -4.34 0.86 -0.36 2.41 -7.23 -1.26 -5.13 120.40 105.35 1mt1 s VAL 46 Ca 0.51 -1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 58.50 1mt1 s VAL 46 Cb 0.42 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 35.55 1mt1 s VAL 46 CO 0.02 -0.77 0.58 0.20 -0.31 0.00 0.00 175.10 174.81 1mt1 s ASN 47 N -3.11 6.36 -0.12 4.85 0.01 -1.26 -5.04 114.94 116.63 1mt1 s ASN 47 Ca 0.15 0.01 -0.24 0.00 -0.71 0.00 0.00 52.86 52.07 1mt1 s ASN 47 Cb 0.04 -2.30 -0.03 0.00 0.41 0.00 0.00 41.25 39.38 1mt1 s ASN 47 CO -0.02 -0.56 0.75 -0.76 -1.51 0.00 0.00 177.10 175.00 1mt1 s LEU 48 N 2.57 4.24 -0.46 0.60 1.43 -1.26 -5.01 118.68 120.79 1mt1 s LEU 48 Ca 0.21 1.15 -0.10 0.00 -1.03 0.00 0.00 54.13 54.37 1mt1 s LEU 48 Cb -0.15 -3.13 0.11 0.00 0.03 0.00 0.00 46.19 43.05 1mt1 s LEU 48 CO 0.14 -0.24 0.34 -0.63 0.23 0.00 0.00 176.35 176.19 1mt1 s ILE 49 N 1.44 4.34 0.14 -0.59 -1.09 -1.26 -5.05 121.20 119.13 1mt1 s ILE 49 Ca 0.37 -1.63 -0.31 0.00 -2.23 0.00 0.00 60.65 56.85 1mt1 s ILE 49 Cb -0.17 -3.78 -0.10 0.00 -1.58 0.00 0.00 42.46 36.83 1mt1 s ILE 49 CO 0.15 -0.70 1.61 -0.60 -1.23 0.00 0.00 174.94 174.17 1mt1 s ARG 50 N 1.41 4.20 -0.05 2.79 3.52 -1.26 -5.01 118.95 124.55 1mt1 s ARG 50 Ca 0.05 2.38 -0.02 0.00 -0.13 0.00 0.00 55.73 58.00 1mt1 s ARG 50 Cb -0.26 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 1mt1 s ARG 50 CO 0.01 -0.65 0.06 0.96 -0.81 0.00 0.00 175.30 174.86 1mt1 s ILE 51 N 1.55 4.68 0.00 4.11 -4.36 -1.26 -5.31 121.20 120.61 1mt1 s ILE 51 Ca 0.72 -0.26 0.00 0.00 -0.26 0.00 0.00 60.65 60.84 1mt1 s ILE 51 Cb -0.43 -3.06 0.00 0.00 1.25 0.00 0.00 42.46 40.21 1mt1 s ILE 51 CO 0.32 0.48 0.37 -1.54 0.24 0.00 0.00 174.94 174.81