#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1loa s SER 3 N 0.00 1.07 -0.11 3.42 0.01 -1.26 -5.14 113.70 111.69 1loa s SER 3 Ca 0.00 -1.18 -0.09 0.00 1.31 0.00 0.00 55.95 55.99 1loa s SER 3 Cb 0.00 0.15 0.03 0.00 0.21 0.00 0.00 66.02 66.41 1loa s SER 3 CO 0.00 -0.60 0.28 -0.31 0.41 0.00 0.00 173.24 173.02 1loa s TYR 4 N -3.72 -0.33 0.17 2.43 1.51 -1.26 -5.17 117.35 110.97 1loa s TYR 4 Ca 0.24 0.80 0.07 0.00 -1.01 0.00 0.00 57.07 57.16 1loa s TYR 4 Cb 0.06 0.10 -0.04 0.00 -0.11 0.00 0.00 41.96 41.97 1loa s TYR 4 CO 0.04 -0.18 -0.13 0.99 -1.11 0.00 0.00 175.55 175.15 1loa s THR 5 N 0.52 1.51 -0.16 -0.71 2.01 -1.26 -5.16 115.64 112.40 1loa s THR 5 Ca -0.03 -2.08 -0.20 0.00 0.31 0.00 0.00 61.69 59.70 1loa s THR 5 Cb -0.05 -1.90 0.05 0.00 0.01 0.00 0.00 72.50 70.62 1loa s THR 5 CO -0.03 -0.60 0.53 -0.22 -0.69 0.00 0.00 174.62 173.61 1loa s LEU 6 N -3.11 -0.01 0.06 4.42 2.96 -1.26 -5.18 118.68 116.57 1loa s LEU 6 Ca 0.18 0.91 -0.00 0.00 -0.22 0.00 0.00 54.13 55.00 1loa s LEU 6 Cb -0.01 1.85 -0.04 0.00 0.50 0.00 0.00 46.19 48.50 1loa s LEU 6 CO 0.04 -0.27 -0.04 0.20 -1.32 0.00 0.00 176.35 174.97 1loa s ASN 7 N -0.09 0.64 -0.12 3.68 -0.87 -1.26 -5.17 114.94 111.74 1loa s ASN 7 Ca -0.03 -0.98 -0.33 0.00 -1.57 0.00 0.00 52.86 49.95 1loa s ASN 7 Cb -0.03 0.17 0.12 0.00 -0.02 0.00 0.00 41.25 41.49 1loa s ASN 7 CO 0.02 -0.56 1.08 -1.61 -2.57 0.00 0.00 177.10 173.47 1loa s GLU 8 N -3.82 0.51 -0.57 -0.60 0.41 -1.26 -5.09 118.70 108.28 1loa s GLU 8 Ca 0.07 -0.19 -0.17 0.00 -0.41 0.00 0.00 54.97 54.28 1loa s GLU 8 Cb 0.07 0.23 0.13 0.00 -1.78 0.00 0.00 34.13 32.78 1loa s GLU 8 CO -0.08 -0.22 0.57 0.08 -0.49 0.00 0.00 175.26 175.12 1loa s VAL 9 N -2.69 5.10 -0.33 2.63 1.01 -1.26 -4.99 120.40 119.87 1loa s VAL 9 Ca 0.08 -1.38 -0.02 0.00 0.00 0.00 0.00 61.98 60.66 1loa s VAL 9 Cb -0.01 -4.39 0.07 0.00 0.00 0.00 0.00 36.38 32.05 1loa s VAL 9 CO -0.06 -0.96 0.06 0.54 0.00 0.00 0.00 175.10 174.68 1loa s VAL 10 N 1.88 3.01 -0.51 2.92 0.11 -1.26 -5.00 120.40 121.55 1loa s VAL 10 Ca 0.06 -1.64 -0.28 0.00 -2.93 0.00 0.00 61.98 57.19 1loa s VAL 10 Cb -0.27 -2.86 -0.28 0.00 -1.53 0.00 0.00 36.38 31.43 1loa s VAL 10 CO 0.03 -0.31 1.81 -0.81 -3.33 0.00 0.00 175.10 172.50 1loa n PRO 11 N 4.58 0.44 -0.31 1.54 -0.04 -1.26 -4.78 135.00 135.18 1loa n PRO 11 Ca -0.09 -1.46 0.27 0.00 -0.04 0.00 0.00 63.50 62.18 1loa n PRO 11 Cb 0.43 -3.04 0.50 0.00 -0.04 0.00 0.00 33.50 31.35 1loa n PRO 11 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1loa n LEU 12 N 11.87 0.24 0.21 1.53 4.77 -1.26 0.02 117.00 134.38 1loa n LEU 12 Ca 0.46 1.58 0.18 0.00 -0.03 0.00 0.00 56.01 58.20 1loa n LEU 12 Cb 0.43 -0.73 0.79 0.00 -2.33 0.00 0.00 43.42 41.58 1loa n LEU 12 CO 0.98 -1.74 1.15 0.50 -1.33 0.00 0.00 177.39 176.95 1loa h LYS 13 N 0.00 0.00 0.00 3.23 3.64 -1.86 0.79 116.57 122.37 1loa h LYS 13 Ca 0.76 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.98 1loa h LYS 13 Cb 1.93 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.73 1loa h LYS 13 CO -0.77 0.00 -1.18 0.93 -2.27 0.00 0.00 179.45 176.16 1loa h GLU 14 N 0.00 0.00 0.00 1.90 4.39 -0.81 -3.41 114.58 116.66 1loa h GLU 14 Ca 0.10 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.51 1loa h GLU 14 Cb 0.84 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.44 1loa h GLU 14 CO -0.00 0.36 -2.08 1.19 -1.16 0.00 0.00 179.01 177.32 1loa n PHE 15 N -2.98 0.00 -3.99 4.33 3.72 0.21 -5.03 117.46 113.72 1loa n PHE 15 Ca -0.07 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.09 1loa n PHE 15 Cb 0.82 -0.73 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 1loa n PHE 15 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1loa s VAL 16 N -2.38 5.08 1.08 -4.37 -7.23 -0.80 -5.12 120.40 106.67 1loa s VAL 16 Ca -0.25 -0.91 -0.18 0.00 -1.81 0.00 0.00 61.98 58.83 1loa s VAL 16 Cb 0.07 -3.66 0.27 0.00 0.56 0.00 0.00 36.38 33.61 1loa s VAL 16 CO 0.43 -0.18 1.06 -0.81 -0.31 0.00 0.00 175.10 175.29 1loa n PRO 17 N -0.81 -2.58 -0.26 4.82 -0.04 -1.26 -4.77 135.00 130.09 1loa n PRO 17 Ca -0.08 -1.68 -0.05 0.00 -0.04 0.00 0.00 63.50 61.66 1loa n PRO 17 Cb 0.55 -1.46 0.06 0.00 -0.04 0.00 0.00 33.50 32.62 1loa n PRO 17 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1loa h GLU 18 N 0.00 0.95 -5.15 0.54 5.08 -1.99 -3.40 114.58 110.61 1loa h GLU 18 Ca -0.38 -0.06 -0.66 0.00 -1.00 0.00 0.00 59.36 57.26 1loa h GLU 18 Cb 1.14 -0.21 -0.28 0.00 0.50 0.00 0.00 28.75 29.90 1loa h GLU 18 CO 0.26 0.63 -0.76 -1.58 -1.00 0.00 0.00 179.01 176.56 1loa s TRP 19 N -6.14 2.87 0.38 4.33 0.52 -1.26 -5.13 118.94 114.51 1loa s TRP 19 Ca -0.13 -0.89 0.04 0.00 0.02 0.00 0.00 56.10 55.14 1loa s TRP 19 Cb 0.15 -1.97 -0.05 0.00 -1.15 0.00 0.00 33.47 30.45 1loa s TRP 19 CO 0.78 -0.43 0.06 0.14 0.02 0.00 0.00 176.95 177.52 1loa s VAL 20 N 0.95 1.18 0.12 4.03 -7.23 -1.26 -5.14 120.40 113.04 1loa s VAL 20 Ca -0.02 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.25 1loa s VAL 20 Cb -0.15 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 1loa s VAL 20 CO -0.01 0.00 -0.23 -0.13 -0.31 0.00 0.00 175.10 174.43 1loa s ARG 21 N -3.83 1.61 0.18 4.82 1.81 -1.26 -5.16 118.95 117.13 1loa s ARG 21 Ca 0.30 -1.25 0.10 0.00 -1.72 0.00 0.00 55.73 53.16 1loa s ARG 21 Cb 0.07 -2.01 -0.04 0.00 -0.45 0.00 0.00 34.95 32.52 1loa s ARG 21 CO 0.14 0.47 -0.21 0.96 -0.68 0.00 0.00 175.30 175.98 1loa s ILE 22 N -1.09 2.08 0.00 1.52 -4.36 -1.26 -5.13 121.20 112.96 1loa s ILE 22 Ca 0.16 -1.97 0.00 0.00 -0.26 0.00 0.00 60.65 58.57 1loa s ILE 22 Cb -0.10 -1.98 0.00 0.00 1.25 0.00 0.00 42.46 41.63 1loa s ILE 22 CO 0.08 -0.22 0.00 0.61 0.24 0.00 0.00 174.94 175.65 1loa n GLY 23 N 0.28 0.77 3.39 6.27 0.00 -1.26 -5.16 105.19 109.48 1loa n GLY 23 Ca -0.13 -0.68 -0.20 0.00 0.00 0.00 0.00 46.02 45.01 1loa n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1loa s PHE 24 N -2.27 1.90 0.08 1.61 0.08 -1.26 -5.16 117.98 112.96 1loa s PHE 24 Ca 0.00 -0.50 -0.11 0.00 0.12 0.00 0.00 56.93 56.44 1loa s PHE 24 Cb 0.00 -0.87 0.01 0.00 -0.57 0.00 0.00 43.02 41.59 1loa s PHE 24 CO 0.00 0.47 0.25 0.45 -0.10 0.00 0.00 175.22 176.29 1loa s SER 25 N -3.38 -0.01 -0.18 1.36 0.15 -1.26 -5.17 113.70 105.22 1loa s SER 25 Ca 0.25 -0.46 -0.28 0.00 0.70 0.00 0.00 55.95 56.16 1loa s SER 25 Cb -0.02 0.36 0.11 0.00 -1.71 0.00 0.00 66.02 64.76 1loa s SER 25 CO 0.10 -0.71 0.92 0.00 1.20 0.00 0.00 173.24 174.75 1loa s ALA 26 N -3.42 -1.90 0.19 5.45 0.00 -1.26 -5.14 121.76 115.68 1loa s ALA 26 Ca 0.01 1.65 0.03 0.00 0.00 0.00 0.00 51.96 53.65 1loa s ALA 26 Cb 0.02 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 1loa s ALA 26 CO -0.09 -0.30 -0.01 0.95 0.00 0.00 0.00 175.76 176.31 1loa s THR 27 N -0.64 0.85 0.11 0.00 -4.23 -1.26 -5.12 115.64 105.35 1loa s THR 27 Ca -0.02 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 58.53 1loa s THR 27 Cb -0.02 -2.18 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 1loa s THR 27 CO 0.01 -0.44 -0.12 0.42 -0.54 0.00 0.00 174.62 173.95 1loa s THR 28 N -3.55 1.15 0.00 3.99 -4.23 -1.26 -4.83 115.64 106.91 1loa s THR 28 Ca 0.25 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1loa s THR 28 Cb 0.06 -1.46 0.00 0.00 1.34 0.00 0.00 72.50 72.43 1loa s THR 28 CO 0.05 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.25 1loa n GLY 29 N 0.52 3.64 0.23 3.99 0.00 -1.26 -4.92 105.19 107.39 1loa n GLY 29 Ca -0.16 -0.40 0.16 0.00 0.00 0.00 0.00 46.02 45.62 1loa n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1loa h ALA 30 N 1.00 1.00 -1.26 4.61 0.00 -2.08 -3.42 119.26 119.11 1loa h ALA 30 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 1loa h ALA 30 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.66 1loa h ALA 30 CO 0.00 0.00 -0.56 -1.21 0.00 0.00 0.00 179.25 177.48 1loa s GLU 31 N -3.69 2.00 0.20 0.00 2.02 -1.26 -5.15 118.70 112.82 1loa s GLU 31 Ca -0.01 -2.19 -0.22 0.00 0.02 0.00 0.00 54.97 52.57 1loa s GLU 31 Cb 0.09 -1.40 0.05 0.00 0.10 0.00 0.00 34.13 32.98 1loa s GLU 31 CO 0.39 -0.22 0.65 -0.59 0.02 0.00 0.00 175.26 175.51 1loa s PHE 32 N -2.90 -0.41 0.28 1.61 -0.12 -1.26 -4.59 117.98 110.59 1loa s PHE 32 Ca 0.24 0.11 -0.19 0.00 -0.05 0.00 0.00 56.93 57.03 1loa s PHE 32 Cb 0.06 0.61 0.02 0.00 -0.63 0.00 0.00 43.02 43.08 1loa s PHE 32 CO 0.12 -0.99 0.68 0.00 -0.05 0.00 0.00 175.22 174.99 1loa s ALA 33 N -3.80 -1.04 -0.04 1.99 0.00 -1.26 -5.09 121.76 112.51 1loa s ALA 33 Ca 0.05 -0.42 -0.19 0.00 0.00 0.00 0.00 51.96 51.40 1loa s ALA 33 Cb -0.03 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 23.93 1loa s ALA 33 CO -0.06 -1.01 0.52 0.00 0.00 0.00 0.00 175.76 175.22 1loa s ALA 34 N -3.89 3.52 -0.23 0.00 0.00 -1.26 -4.92 121.76 114.98 1loa s ALA 34 Ca 0.13 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.02 1loa s ALA 34 Cb -0.05 -2.65 0.04 0.00 0.00 0.00 0.00 23.12 20.46 1loa s ALA 34 CO 0.07 0.16 -0.14 -1.01 0.00 0.00 0.00 175.76 174.85 1loa s HIS 35 N -0.04 3.05 -0.01 0.00 3.76 -1.26 -5.11 115.29 115.68 1loa s HIS 35 Ca 0.28 -1.95 0.02 0.00 -0.15 0.00 0.00 55.06 53.26 1loa s HIS 35 Cb -0.17 -1.94 -0.00 0.00 1.11 0.00 0.00 32.58 31.58 1loa s HIS 35 CO 0.14 -0.83 -0.06 -1.21 -0.85 0.00 0.00 174.74 171.92 1loa s GLU 36 N 1.21 0.58 -0.25 1.40 2.02 -1.26 -5.06 118.70 117.34 1loa s GLU 36 Ca -0.02 -0.22 -0.10 0.00 0.02 0.00 0.00 54.97 54.65 1loa s GLU 36 Cb -0.17 -0.56 -0.04 0.00 0.10 0.00 0.00 34.13 33.45 1loa s GLU 36 CO -0.08 0.12 0.14 0.08 0.02 0.00 0.00 175.26 175.54 1loa s VAL 37 N -0.02 5.07 -0.39 2.63 1.01 -1.26 -5.00 120.40 122.43 1loa s VAL 37 Ca 0.01 0.08 0.23 0.00 0.00 0.00 0.00 61.98 62.30 1loa s VAL 37 Cb -0.04 -3.37 0.22 0.00 0.00 0.00 0.00 36.38 33.18 1loa s VAL 37 CO -0.00 0.33 1.42 -0.07 0.00 0.00 0.00 175.10 176.78 1loa h LEU 38 N 7.84 0.00 -7.00 3.92 4.07 -2.07 -3.48 115.31 118.59 1loa h LEU 38 Ca -0.37 -0.01 0.17 0.00 0.08 0.00 0.00 57.88 57.75 1loa h LEU 38 Cb 1.18 0.00 -0.20 0.00 1.08 0.00 0.00 40.66 42.72 1loa h LEU 38 CO 0.61 0.00 0.67 -0.94 -1.08 0.00 0.00 178.44 177.70 1loa s SER 39 N -5.80 -0.25 -0.00 -0.43 1.04 -1.26 -5.18 113.70 101.82 1loa s SER 39 Ca 0.05 0.11 -0.00 0.00 0.48 0.00 0.00 55.95 56.58 1loa s SER 39 Cb 0.07 0.24 -0.00 0.00 0.10 0.00 0.00 66.02 66.43 1loa s SER 39 CO 0.71 -0.35 0.01 0.86 0.98 0.00 0.00 173.24 175.45 1loa s TRP 40 N -2.11 0.03 0.00 5.02 -0.00 -1.26 -5.17 118.94 115.45 1loa s TRP 40 Ca 0.05 -0.05 0.04 0.00 -0.00 0.00 0.00 56.10 56.14 1loa s TRP 40 Cb -0.01 -0.02 -0.01 0.00 -0.00 0.00 0.00 33.47 33.43 1loa s TRP 40 CO -0.05 -0.03 -0.11 -0.47 -0.00 0.00 0.00 176.95 176.29 1loa s TYR 41 N -0.21 1.02 -0.05 5.86 5.04 -1.26 -5.16 117.35 122.59 1loa s TYR 41 Ca -0.02 -0.24 -0.07 0.00 -2.44 0.00 0.00 57.07 54.30 1loa s TYR 41 Cb -0.02 -0.64 0.01 0.00 0.35 0.00 0.00 41.96 41.67 1loa s TYR 41 CO -0.00 -0.01 0.19 0.12 -1.34 0.00 0.00 175.55 174.51 1loa s PHE 42 N -0.44 -0.15 -0.02 4.97 5.36 -1.26 -5.14 117.98 121.29 1loa s PHE 42 Ca 0.03 0.35 -0.00 0.00 -0.96 0.00 0.00 56.93 56.35 1loa s PHE 42 Cb -0.05 0.05 0.03 0.00 -0.34 0.00 0.00 43.02 42.70 1loa s PHE 42 CO 0.00 -0.16 0.03 -1.58 -1.46 0.00 0.00 175.22 172.05 1loa s HIS 43 N -0.32 0.03 0.09 10.12 5.65 -1.26 -5.17 115.29 124.44 1loa s HIS 43 Ca -0.04 0.13 0.06 0.00 0.25 0.00 0.00 55.06 55.46 1loa s HIS 43 Cb -0.03 -0.24 -0.03 0.00 -1.18 0.00 0.00 32.58 31.10 1loa s HIS 43 CO 0.01 -0.09 -0.14 -1.54 -0.65 0.00 0.00 174.74 172.32 1loa s SER 44 N 1.08 1.85 -0.07 9.88 1.04 -1.26 -5.17 113.70 121.05 1loa s SER 44 Ca -0.09 -0.70 -0.03 0.00 0.48 0.00 0.00 55.95 55.61 1loa s SER 44 Cb -0.13 -0.06 0.04 0.00 0.10 0.00 0.00 66.02 65.97 1loa s SER 44 CO -0.03 -0.10 0.15 -1.83 0.98 0.00 0.00 173.24 172.41 1loa s GLU 45 N -2.13 0.10 -0.11 4.02 -1.05 -1.26 -5.13 118.70 113.15 1loa s GLU 45 Ca 0.03 0.38 0.04 0.00 -0.15 0.00 0.00 54.97 55.26 1loa s GLU 45 Cb -0.08 -0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.43 1loa s GLU 45 CO 0.03 -0.17 -0.23 -1.17 0.95 0.00 0.00 175.26 174.67 1loa s LEU 46 N 1.19 2.13 0.37 1.83 2.96 -1.26 -5.08 118.68 120.82 1loa s LEU 46 Ca -0.09 -0.55 -0.26 0.00 -0.22 0.00 0.00 54.13 53.01 1loa s LEU 46 Cb -0.12 -1.43 -0.09 0.00 0.50 0.00 0.00 46.19 45.06 1loa s LEU 46 CO -0.06 0.15 1.16 0.00 -1.32 0.00 0.00 176.35 176.28 1loa s ALA 47 N 0.40 3.22 0.00 5.97 0.00 -1.26 -5.38 121.76 124.71 1loa s ALA 47 Ca -0.17 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1loa s ALA 47 Cb -0.18 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1loa s ALA 47 CO 0.08 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.79