#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wro n LYS 2 N 0.00 -0.07 -4.34 3.17 5.02 -1.26 -5.01 118.16 115.66 2wro n LYS 2 Ca 0.00 -0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 2wro n LYS 2 Cb 0.00 -1.25 -0.13 0.00 -0.02 0.00 0.00 35.03 33.63 2wro n LYS 2 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wro s ARG 3 N -2.44 1.23 0.51 1.97 1.81 -1.26 -5.02 118.95 115.75 2wro s ARG 3 Ca 0.46 -1.20 0.42 0.00 -1.72 0.00 0.00 55.73 53.68 2wro s ARG 3 Cb -0.20 -1.55 1.63 0.00 -0.45 0.00 0.00 34.95 34.38 2wro s ARG 3 CO 0.78 0.37 1.58 1.79 -0.68 0.00 0.00 175.30 179.14 2wro h THR 4 N 4.04 0.02 -2.82 0.02 1.35 -2.10 -3.36 112.91 110.06 2wro h THR 4 Ca -0.47 -0.00 -0.61 0.00 -0.55 0.00 0.00 66.41 64.78 2wro h THR 4 Cb 1.18 0.01 -0.13 0.00 -1.73 0.00 0.00 68.15 67.48 2wro h THR 4 CO 0.40 0.00 0.63 0.86 -0.25 0.00 0.00 175.52 177.16 2wro s TRP 5 N -5.04 2.66 -0.63 4.73 -0.00 -1.26 -4.93 118.94 114.47 2wro s TRP 5 Ca -0.06 -0.26 0.06 0.00 -0.00 0.00 0.00 56.10 55.83 2wro s TRP 5 Cb 0.29 -4.27 0.27 0.00 -0.00 0.00 0.00 33.47 29.77 2wro s TRP 5 CO 0.86 -1.60 0.81 1.04 -0.00 0.00 0.00 176.95 178.07 2wro n GLN 6 N 7.88 2.76 -1.14 5.86 1.13 -1.26 -5.08 117.38 127.52 2wro n GLN 6 Ca -0.01 -4.73 -0.45 0.00 -1.94 0.00 0.00 57.00 49.87 2wro n GLN 6 Cb 0.47 -2.26 -0.06 0.00 0.11 0.00 0.00 30.24 28.50 2wro n GLN 6 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2wro n PRO 7 N 0.55 0.00 -3.78 -1.09 -0.04 -1.26 -4.98 135.00 124.40 2wro n PRO 7 Ca 0.30 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.54 2wro n PRO 7 Cb 0.40 -1.14 -0.18 0.00 -0.04 0.00 0.00 33.50 32.55 2wro n PRO 7 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2wro s ASN 8 N -0.01 1.49 0.00 3.54 3.04 -1.26 -5.08 114.94 116.65 2wro s ASN 8 Ca 0.69 -0.07 0.00 0.00 0.04 0.00 0.00 52.86 53.53 2wro s ASN 8 Cb -0.97 -0.40 0.00 0.00 -1.54 0.00 0.00 41.25 38.34 2wro s ASN 8 CO 0.44 -0.19 0.72 0.54 -3.04 0.00 0.00 177.10 175.56 2wro n ARG 9 N 5.10 0.00 -0.01 0.43 5.12 -1.26 -2.57 116.66 123.47 2wro n ARG 9 Ca -0.08 0.48 -0.01 0.00 -1.93 0.00 0.00 57.85 56.32 2wro n ARG 9 Cb 0.50 -1.22 -0.00 0.00 -1.16 0.00 0.00 32.46 30.58 2wro n ARG 9 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 2wro h ARG 10 N 0.00 -0.01 0.00 5.56 2.43 -1.99 -2.66 114.38 117.71 2wro h ARG 10 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wro h ARG 10 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2wro h ARG 10 CO 0.00 -0.01 0.00 1.17 -1.51 0.00 0.00 179.97 179.62 2wro n LYS 11 N -2.91 0.00 -0.23 0.20 3.00 -1.23 0.18 118.16 117.18 2wro n LYS 11 Ca -0.00 0.04 0.02 0.00 -0.00 0.00 0.00 58.31 58.37 2wro n LYS 11 Cb 0.01 -0.14 0.06 0.00 0.00 0.00 0.00 35.03 34.97 2wro n LYS 11 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2wro n ARG 12 N -0.24 -0.09 -0.29 1.64 0.63 -1.06 0.29 116.66 117.54 2wro n ARG 12 Ca 0.00 0.95 -0.01 0.00 -0.92 0.00 0.00 57.85 57.87 2wro n ARG 12 Cb 0.00 -1.41 0.18 0.00 0.45 0.00 0.00 32.46 31.68 2wro n ARG 12 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wro h ALA 13 N 1.07 1.35 0.00 5.13 0.00 0.22 0.16 119.26 127.20 2wro h ALA 13 Ca 0.26 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 2wro h ALA 13 Cb 0.41 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2wro h ALA 13 CO -0.62 0.58 -0.94 0.87 0.00 0.00 0.00 179.25 179.14 2wro h LYS 14 N 1.17 0.00 -0.18 0.00 1.79 0.79 -0.38 116.57 119.77 2wro h LYS 14 Ca 0.31 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 2wro h LYS 14 Cb -0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 2wro h LYS 14 CO -0.06 0.28 0.00 2.41 -1.08 0.00 0.00 179.45 180.99 2wro n THR 15 N -2.97 0.20 -1.68 -0.16 -1.04 0.42 -4.50 114.28 104.55 2wro n THR 15 Ca -0.03 -0.58 0.00 0.00 -2.04 0.00 0.00 64.05 61.40 2wro n THR 15 Cb 0.73 1.22 0.00 0.00 -1.82 0.00 0.00 70.33 70.46 2wro n THR 15 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2wro n HIS 16 N 1.33 0.00 -1.88 -1.42 8.25 0.51 -4.96 115.22 117.04 2wro n HIS 16 Ca 0.16 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.21 2wro n HIS 16 Cb 0.58 0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.73 2wro n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2wro s GLY 17 N 0.00 2.79 0.33 -1.41 0.00 -0.15 -4.68 107.32 104.21 2wro s GLY 17 Ca 0.00 1.49 0.09 0.00 0.00 0.00 0.00 44.72 46.31 2wro s GLY 17 CO 0.00 2.23 1.58 -2.75 0.00 0.00 0.00 173.10 174.16 2wro h PHE 18 N 3.49 0.32 -0.85 1.90 3.57 -1.90 0.31 116.94 123.78 2wro h PHE 18 Ca -0.50 0.06 0.15 0.00 3.53 0.00 0.00 57.97 61.21 2wro h PHE 18 Cb 1.23 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.93 2wro h PHE 18 CO 0.55 -0.43 0.56 -0.09 -2.23 0.00 0.00 178.31 176.66 2wro h ARG 19 N 0.03 0.58 0.12 1.11 2.43 -1.90 -2.72 114.38 114.03 2wro h ARG 19 Ca 0.69 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.82 2wro h ARG 19 Cb 1.61 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.03 2wro h ARG 19 CO -0.85 0.38 -0.06 0.00 -1.51 0.00 0.00 179.97 177.94 2wro h ALA 20 N 1.61 -0.17 0.00 2.80 0.00 -0.69 -3.23 119.26 119.59 2wro h ALA 20 Ca 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2wro h ALA 20 Cb 0.79 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2wro h ALA 20 CO -0.18 -0.16 0.62 0.00 0.00 0.00 0.00 179.25 179.53 2wro h ARG 21 N -1.03 0.00 0.03 0.00 3.08 -1.45 1.86 114.38 116.87 2wro h ARG 21 Ca -0.02 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.78 2wro h ARG 21 Cb 0.21 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 2wro h ARG 21 CO 0.03 0.00 -1.29 0.52 -1.07 0.00 0.00 179.97 178.16 2wro h MET 22 N 0.00 0.06 -1.54 0.04 2.86 -1.54 0.24 114.93 115.05 2wro h MET 22 Ca 0.00 -0.10 -0.28 0.00 -2.06 0.00 0.00 59.70 57.26 2wro h MET 22 Cb 1.25 0.04 -0.12 0.00 0.06 0.00 0.00 31.60 32.82 2wro h MET 22 CO 0.00 0.89 0.36 0.54 1.06 0.00 0.00 176.91 179.77 2wro n ARG 23 N -3.29 1.70 -3.67 1.72 1.74 0.63 -4.74 116.66 110.74 2wro n ARG 23 Ca -0.08 -1.37 -0.10 0.00 -0.77 0.00 0.00 57.85 55.53 2wro n ARG 23 Cb 0.99 -1.54 -0.09 0.00 -1.02 0.00 0.00 32.46 30.80 2wro n ARG 23 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2wro s THR 24 N -1.98 -0.01 -1.71 0.55 -1.32 -1.23 -5.00 115.64 104.93 2wro s THR 24 Ca 0.27 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.79 2wro s THR 24 Cb 0.21 -0.77 0.00 0.00 -1.51 0.00 0.00 72.50 70.43 2wro s THR 24 CO -0.00 0.02 0.35 -0.81 -2.21 0.00 0.00 174.62 171.96 2wro n PRO 25 N 4.03 0.40 0.00 7.08 -0.04 -1.26 -0.73 135.00 144.49 2wro n PRO 25 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2wro n PRO 25 Cb 0.57 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 2wro n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wro n GLY 26 N 0.02 0.00 0.14 0.55 0.00 -1.26 -4.64 105.19 99.99 2wro n GLY 26 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2wro n GLY 26 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wro h GLY 27 N 0.00 0.39 -0.04 -0.02 0.00 -1.54 -1.05 103.07 100.80 2wro h GLY 27 Ca 0.00 -0.08 0.24 0.00 0.00 0.00 0.00 47.33 47.49 2wro h GLY 27 CO 0.00 0.06 0.63 3.21 0.00 0.00 0.00 176.54 180.44 2wro h ARG 28 N 0.27 0.50 0.00 4.80 3.08 0.17 0.71 114.38 123.91 2wro h ARG 28 Ca 0.13 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2wro h ARG 28 Cb 0.07 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2wro h ARG 28 CO -0.11 0.33 0.00 1.63 -1.07 0.00 0.00 179.97 180.75 2wro n LYS 29 N -4.70 0.45 0.03 0.04 4.76 -0.44 -2.26 118.16 116.04 2wro n LYS 29 Ca 0.25 0.03 0.11 0.00 -2.87 0.00 0.00 58.31 55.83 2wro n LYS 29 Cb 0.77 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 32.40 2wro n LYS 29 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2wro n VAL 30 N -1.25 0.22 -0.06 -0.18 0.31 0.24 -4.12 118.33 113.50 2wro n VAL 30 Ca 0.14 -0.39 -0.02 0.00 -0.01 0.00 0.00 64.34 64.06 2wro n VAL 30 Cb 0.20 0.05 -0.01 0.00 -0.91 0.00 0.00 33.84 33.17 2wro n VAL 30 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2wro h LEU 31 N 0.00 0.00 -0.02 7.52 3.38 -1.10 -2.63 115.31 122.46 2wro h LEU 31 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wro h LEU 31 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2wro h LEU 31 CO 0.00 0.62 0.82 0.50 0.09 0.00 0.00 178.44 180.47 2wro h LYS 32 N -0.99 0.00 0.00 1.13 3.64 -1.66 0.67 116.57 119.36 2wro h LYS 32 Ca 0.00 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 2wro h LYS 32 Cb 0.24 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.02 2wro h LYS 32 CO 0.00 0.00 -1.99 0.54 -2.27 0.00 0.00 179.45 175.73 2wro n ARG 33 N -2.01 0.41 -0.21 1.90 1.74 -1.25 -3.92 116.66 113.32 2wro n ARG 33 Ca -0.00 0.13 -0.05 0.00 -0.77 0.00 0.00 57.85 57.16 2wro n ARG 33 Cb 0.83 -1.27 0.06 0.00 -1.02 0.00 0.00 32.46 31.05 2wro n ARG 33 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wro h ARG 34 N -0.24 0.74 -0.15 5.56 2.47 0.62 0.31 114.38 123.68 2wro h ARG 34 Ca -0.41 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.25 2wro h ARG 34 Cb 1.52 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 29.67 2wro h ARG 34 CO -0.14 0.49 0.06 0.00 0.56 0.00 0.00 179.97 180.94 2wro h ARG 35 N 0.76 0.23 0.90 0.04 3.08 -1.09 -1.59 114.38 116.71 2wro h ARG 35 Ca 0.24 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.21 2wro h ARG 35 Cb 0.00 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.02 2wro h ARG 35 CO -0.09 0.32 -0.43 0.37 -1.07 0.00 0.00 179.97 179.07 2wro h GLN 36 N 0.08 -1.17 -0.75 0.04 4.15 -1.62 -0.65 115.11 115.19 2wro h GLN 36 Ca 0.05 0.08 0.22 0.00 0.77 0.00 0.00 58.65 59.77 2wro h GLN 36 Cb 0.18 0.27 -0.03 0.00 0.21 0.00 0.00 27.48 28.11 2wro h GLN 36 CO -0.00 -0.78 1.05 -0.22 -1.93 0.00 0.00 178.83 176.95 2wro h LYS 37 N -1.24 0.00 -3.76 1.69 1.63 -0.32 -3.45 116.57 111.13 2wro h LYS 37 Ca -0.12 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 2wro h LYS 37 Cb 0.93 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.55 2wro h LYS 37 CO 0.20 0.00 -0.40 0.41 -3.45 0.00 0.00 179.45 176.21 2wro n GLY 38 N -1.64 -3.45 3.29 5.01 0.00 -0.25 -5.07 105.19 103.08 2wro n GLY 38 Ca 0.17 0.09 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 2wro n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wro s ARG 39 N -0.64 1.16 0.00 1.61 1.81 -1.19 -5.02 118.95 116.68 2wro s ARG 39 Ca -0.02 -1.41 0.27 0.00 -1.72 0.00 0.00 55.73 52.85 2wro s ARG 39 Cb 0.00 -0.97 0.91 0.00 -0.45 0.00 0.00 34.95 34.44 2wro s ARG 39 CO 0.29 0.17 1.67 0.91 -0.68 0.00 0.00 175.30 177.65 2wro n TRP 40 N 0.08 0.00 -3.76 -0.53 8.01 -1.26 -4.78 117.44 115.20 2wro n TRP 40 Ca -0.12 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 55.95 2wro n TRP 40 Cb 0.59 -0.19 -0.12 0.00 -2.01 0.00 0.00 31.31 29.57 2wro n TRP 40 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 2wro s ARG 41 N -2.62 0.27 -0.16 -0.99 3.00 -1.26 -5.04 118.95 112.16 2wro s ARG 41 Ca 0.23 0.46 0.03 0.00 0.00 0.00 0.00 55.73 56.45 2wro s ARG 41 Cb 0.19 0.04 -0.12 0.00 0.00 0.00 0.00 34.95 35.06 2wro s ARG 41 CO 0.54 -0.09 -0.11 1.28 0.00 0.00 0.00 175.30 176.92 2wro n LEU 42 N 3.51 2.39 -4.06 2.53 4.77 -1.26 -4.84 117.00 120.04 2wro n LEU 42 Ca -0.18 -0.07 -0.33 0.00 -0.03 0.00 0.00 56.01 55.39 2wro n LEU 42 Cb 0.56 -0.40 -0.14 0.00 -2.33 0.00 0.00 43.42 41.11 2wro n LEU 42 CO 0.16 0.69 -0.26 -0.89 -1.33 0.00 0.00 177.39 175.75 2wro s THR 43 N -2.33 2.70 -0.69 -5.08 2.01 -1.26 -4.97 115.64 106.02 2wro s THR 43 Ca -0.19 -2.23 -0.25 0.00 0.31 0.00 0.00 61.69 59.33 2wro s THR 43 Cb 0.05 -2.92 -0.16 0.00 0.01 0.00 0.00 72.50 69.48 2wro s THR 43 CO 0.42 -0.64 1.97 -2.65 -0.69 0.00 0.00 174.62 173.03 2wro n PRO 44 N 4.39 0.00 -0.40 4.92 -0.02 -1.26 -4.70 135.00 137.93 2wro n PRO 44 Ca 0.01 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.36 2wro n PRO 44 Cb 0.42 -1.14 0.01 0.00 -0.02 0.00 0.00 33.50 32.77 2wro n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wro n ALA 45 N 7.55 -2.89 -3.64 3.55 0.00 -1.26 -4.96 120.51 118.86 2wro n ALA 45 Ca 0.49 -0.14 -0.08 0.00 0.00 0.00 0.00 53.44 53.70 2wro n ALA 45 Cb 0.01 -0.45 -0.07 0.00 0.00 0.00 0.00 19.45 18.94 2wro n ALA 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wro s VAL 46 N -0.71 0.00 0.05 0.00 1.01 -1.26 -5.03 120.40 114.45 2wro s VAL 46 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.16 2wro s VAL 46 Cb -0.12 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 2wro s VAL 46 CO 0.27 0.00 -0.06 0.00 0.00 0.00 0.00 175.10 175.31 2wro s ARG 47 N 1.36 0.56 0.00 2.72 1.70 -1.26 -5.14 118.95 118.89 2wro s ARG 47 Ca -0.08 -0.90 0.00 0.00 -0.47 0.00 0.00 55.73 54.28 2wro s ARG 47 Cb -0.05 -0.14 0.00 0.00 -0.57 0.00 0.00 34.95 34.19 2wro s ARG 47 CO -0.15 -0.00 0.00 0.36 -1.08 0.00 0.00 175.30 174.43 2wro n LYS 48 N 1.03 0.00 0.00 3.89 2.85 -1.26 -5.10 118.16 119.58 2wro n LYS 48 Ca -0.20 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.06 2wro n LYS 48 Cb 0.57 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.95 2wro n LYS 48 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24