#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5k s ARG 2 N 0.00 4.01 0.43 0.03 0.52 -1.26 -5.07 118.95 117.60 2k5k s ARG 2 Ca 0.00 0.35 -0.16 0.00 -0.52 0.00 0.00 55.73 55.39 2k5k s ARG 2 Cb 0.00 -3.28 -0.09 0.00 0.52 0.00 0.00 34.95 32.10 2k5k s ARG 2 CO 0.00 0.54 0.88 0.16 0.02 0.00 0.00 175.30 176.90 2k5k s ASP 3 N -0.57 6.73 0.00 0.23 1.47 -1.26 -4.91 116.67 118.35 2k5k s ASP 3 Ca 0.23 1.46 0.00 0.00 1.18 0.00 0.00 52.55 55.42 2k5k s ASP 3 Cb -0.16 -2.45 0.00 0.00 -0.34 0.00 0.00 42.92 39.97 2k5k s ASP 3 CO 0.11 -0.40 0.00 0.80 0.68 0.00 0.00 175.17 176.36 2k5k n MET 4 N -0.99 0.00 -4.24 2.11 1.56 -1.26 -5.15 117.12 109.15 2k5k n MET 4 Ca 0.05 0.00 -0.13 0.00 -0.27 0.00 0.00 57.70 57.35 2k5k n MET 4 Cb 0.54 0.00 -0.10 0.00 2.15 0.00 0.00 33.22 35.81 2k5k n MET 4 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 2k5k s THR 5 N -0.90 1.03 0.17 1.12 -4.23 -1.26 -5.17 115.64 106.40 2k5k s THR 5 Ca 0.00 -2.03 -0.23 0.00 -1.18 0.00 0.00 61.69 58.25 2k5k s THR 5 Cb 0.00 -1.85 0.06 0.00 1.34 0.00 0.00 72.50 72.05 2k5k s THR 5 CO 0.00 -0.74 0.70 -1.83 -0.54 0.00 0.00 174.62 172.21 2k5k s GLU 6 N -3.78 1.36 -0.37 3.99 -1.05 -1.26 -5.13 118.70 112.45 2k5k s GLU 6 Ca 0.17 -0.61 -0.23 0.00 -0.15 0.00 0.00 54.97 54.14 2k5k s GLU 6 Cb 0.04 0.55 0.01 0.00 -0.44 0.00 0.00 34.13 34.29 2k5k s GLU 6 CO -0.00 -0.61 0.78 -1.21 0.95 0.00 0.00 175.26 175.18 2k5k s GLU 7 N -3.68 3.73 -0.09 -4.83 8.01 -1.26 -5.03 118.70 115.55 2k5k s GLU 7 Ca 0.05 0.28 0.03 0.00 0.01 0.00 0.00 54.97 55.34 2k5k s GLU 7 Cb -0.02 -3.82 0.01 0.00 -4.31 0.00 0.00 34.13 25.98 2k5k s GLU 7 CO -0.05 -0.87 -0.19 0.99 0.01 0.00 0.00 175.26 175.15 2k5k s THR 8 N 3.11 1.65 -1.40 3.63 2.01 -1.26 -5.03 115.64 118.34 2k5k s THR 8 Ca 0.31 -0.77 -0.08 0.00 0.31 0.00 0.00 61.69 61.45 2k5k s THR 8 Cb -0.13 -1.45 0.07 0.00 0.01 0.00 0.00 72.50 71.00 2k5k s THR 8 CO 0.17 0.47 2.39 0.54 -0.69 0.00 0.00 174.62 177.50 2k5k n ARG 9 N 3.70 3.96 -0.28 4.92 1.74 -1.26 -4.66 116.66 124.79 2k5k n ARG 9 Ca -0.21 -3.08 -0.06 0.00 -0.77 0.00 0.00 57.85 53.74 2k5k n ARG 9 Cb 0.52 -2.81 0.06 0.00 -1.02 0.00 0.00 32.46 29.21 2k5k n ARG 9 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2k5k h LYS 10 N 5.12 1.18 0.00 5.56 1.57 -2.02 -3.45 116.57 124.52 2k5k h LYS 10 Ca 0.66 -0.22 -0.52 0.00 -1.87 0.00 0.00 60.65 58.70 2k5k h LYS 10 Cb 0.41 -0.19 -0.07 0.00 0.08 0.00 0.00 32.23 32.46 2k5k h LYS 10 CO 1.63 0.96 -0.31 -0.25 -0.57 0.00 0.00 179.45 180.91 2k5k n ASP 11 N -4.28 2.82 -4.74 0.86 8.00 -1.26 -5.10 116.55 112.83 2k5k n ASP 11 Ca 0.07 -2.73 -0.38 0.00 0.71 0.00 0.00 54.79 52.46 2k5k n ASP 11 Cb 0.19 0.12 0.05 0.00 -0.02 0.00 0.00 41.12 41.47 2k5k n ASP 11 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2k5k s LEU 12 N 0.00 3.78 -0.82 0.64 1.43 -1.26 -4.73 118.68 117.72 2k5k s LEU 12 Ca 0.14 2.74 -0.32 0.00 -1.03 0.00 0.00 54.13 55.66 2k5k s LEU 12 Cb -0.01 -4.36 -0.20 0.00 0.03 0.00 0.00 46.19 41.65 2k5k s LEU 12 CO 0.09 -1.69 2.40 -2.65 0.23 0.00 0.00 176.35 174.73 2k5k n PRO 13 N -1.26 0.00 -0.00 1.29 -0.02 -1.26 -4.75 135.00 129.00 2k5k n PRO 13 Ca 0.12 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.75 2k5k n PRO 13 Cb 0.46 -1.41 0.85 0.00 -0.02 0.00 0.00 33.50 33.37 2k5k n PRO 13 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2k5k n PRO 14 N 7.75 1.14 0.11 0.52 -0.04 -1.26 -3.77 135.00 139.45 2k5k n PRO 14 Ca 0.59 -0.21 0.17 0.00 -0.04 0.00 0.00 63.50 64.01 2k5k n PRO 14 Cb 0.01 -1.49 0.70 0.00 -0.04 0.00 0.00 33.50 32.69 2k5k n PRO 14 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2k5k h GLU 15 N 0.50 0.00 -0.91 0.54 4.81 -2.00 0.43 114.58 117.95 2k5k h GLU 15 Ca 0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2k5k h GLU 15 Cb 0.11 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 2k5k h GLU 15 CO 0.00 0.00 0.60 0.00 -0.73 0.00 0.00 179.01 178.88 2k5k h ALA 16 N 1.80 1.35 -0.56 2.92 0.00 -1.96 0.24 119.26 123.06 2k5k h ALA 16 Ca 0.16 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2k5k h ALA 16 Cb 0.66 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2k5k h ALA 16 CO -0.00 0.60 0.21 -0.07 0.00 0.00 0.00 179.25 180.00 2k5k h LEU 17 N 1.23 0.78 -0.68 0.00 3.38 -1.20 -0.23 115.31 118.59 2k5k h LEU 17 Ca 0.33 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 2k5k h LEU 17 Cb -0.14 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 2k5k h LEU 17 CO -0.07 0.74 -0.10 -0.09 0.09 0.00 0.00 178.44 179.01 2k5k h ARG 18 N 0.77 0.92 -0.75 1.13 9.65 -1.28 -2.37 114.38 122.45 2k5k h ARG 18 Ca 0.18 -0.32 -0.01 0.00 -1.10 0.00 0.00 59.98 58.73 2k5k h ARG 18 Cb 0.22 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.69 2k5k h ARG 18 CO -0.01 0.98 0.43 0.00 2.80 0.00 0.00 179.97 184.16 2k5k h ALA 19 N 1.05 1.34 -0.70 2.80 0.00 -0.05 -0.87 119.26 122.83 2k5k h ALA 19 Ca 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2k5k h ALA 19 Cb 0.63 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2k5k h ALA 19 CO 0.04 0.55 0.36 1.25 0.00 0.00 0.00 179.25 181.46 2k5k h LEU 20 N 1.05 0.89 -1.11 0.00 5.85 -0.63 -1.89 115.31 119.47 2k5k h LEU 20 Ca 0.27 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 2k5k h LEU 20 Cb -0.00 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 2k5k h LEU 20 CO -0.05 0.75 0.00 0.00 -0.34 0.00 0.00 178.44 178.81 2k5k h ALA 21 N 1.18 1.27 -0.15 1.25 0.00 -0.81 -1.93 119.26 120.08 2k5k h ALA 21 Ca 0.24 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2k5k h ALA 21 Cb 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2k5k h ALA 21 CO -0.04 0.49 -0.21 0.93 0.00 0.00 0.00 179.25 180.42 2k5k h GLU 22 N 0.59 0.25 -0.41 0.00 4.39 -0.51 -1.72 114.58 117.17 2k5k h GLU 22 Ca 0.12 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.79 2k5k h GLU 22 Cb 0.37 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 2k5k h GLU 22 CO 0.01 0.46 0.28 0.00 -1.16 0.00 0.00 179.01 178.60 2k5k h ALA 23 N 1.56 1.89 -0.36 3.43 0.00 -0.59 0.12 119.26 125.31 2k5k h ALA 23 Ca 0.04 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 2k5k h ALA 23 Cb 0.51 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2k5k h ALA 23 CO 0.03 0.05 -0.36 1.49 0.00 0.00 0.00 179.25 180.47 2k5k h GLU 24 N 0.39 0.87 -0.25 0.00 4.81 -1.26 -3.05 114.58 116.10 2k5k h GLU 24 Ca 0.17 -0.46 -0.12 0.00 -0.13 0.00 0.00 59.36 58.82 2k5k h GLU 24 Cb 0.19 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2k5k h GLU 24 CO -0.04 1.11 -0.35 0.93 -0.73 0.00 0.00 179.01 179.92 2k5k h GLU 25 N 0.67 0.55 -6.12 1.92 3.07 -1.08 -3.44 114.58 110.15 2k5k h GLU 25 Ca 0.06 -0.25 -0.77 0.00 -0.50 0.00 0.00 59.36 57.90 2k5k h GLU 25 Cb 0.95 -0.01 0.03 0.00 -0.84 0.00 0.00 28.75 28.88 2k5k h GLU 25 CO 0.09 0.82 0.60 -2.13 -1.40 0.00 0.00 179.01 176.99 2k5k n ARG 26 N -4.06 0.68 -2.70 2.33 0.63 0.30 -4.87 116.66 108.98 2k5k n ARG 26 Ca -0.01 0.25 -0.07 0.00 -0.92 0.00 0.00 57.85 57.09 2k5k n ARG 26 Cb 0.48 -1.85 0.11 0.00 0.45 0.00 0.00 32.46 31.65 2k5k n ARG 26 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2k5k n ARG 27 N 3.68 1.19 0.27 -0.14 3.00 -1.26 -4.95 116.66 118.45 2k5k n ARG 27 Ca 0.24 -2.01 0.17 0.00 -0.00 0.00 0.00 57.85 56.26 2k5k n ARG 27 Cb 0.09 -0.21 0.70 0.00 0.00 0.00 0.00 32.46 33.04 2k5k n ARG 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 2k5k h ARG 28 N 2.15 0.00 0.00 -0.14 0.11 -2.01 -2.50 114.38 111.99 2k5k h ARG 28 Ca -0.25 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.81 2k5k h ARG 28 Cb 1.28 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.36 2k5k h ARG 28 CO 0.01 0.00 -0.08 0.07 0.10 0.00 0.00 179.97 180.07 2k5k h ARG 29 N 0.00 0.00 0.00 0.08 0.11 -1.98 -2.29 114.38 110.30 2k5k h ARG 29 Ca 0.00 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.98 2k5k h ARG 29 Cb 0.48 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.54 2k5k h ARG 29 CO 0.00 0.08 -1.17 0.00 0.10 0.00 0.00 179.97 178.98 2k5k h ALA 30 N 1.92 0.61 -0.45 0.08 0.00 -1.69 -3.33 119.26 116.41 2k5k h ALA 30 Ca -0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2k5k h ALA 30 Cb 0.42 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2k5k h ALA 30 CO 0.01 0.56 0.22 -0.22 0.00 0.00 0.00 179.25 179.81 2k5k h LYS 31 N 0.00 0.64 -0.35 0.00 3.64 -1.44 -1.43 116.57 117.63 2k5k h LYS 31 Ca -0.09 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2k5k h LYS 31 Cb 1.35 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2k5k h LYS 31 CO 0.03 0.54 0.00 0.00 -2.27 0.00 0.00 179.45 177.75 2k5k n ALA 32 N -2.29 2.56 -3.25 5.00 0.00 -1.21 -4.58 120.51 116.73 2k5k n ALA 32 Ca 0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 53.44 53.09 2k5k n ALA 32 Cb 0.11 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.52 2k5k n ALA 32 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2k5k s LEU 33 N -0.91 -1.05 0.36 0.00 2.96 -0.54 -5.12 118.68 114.38 2k5k s LEU 33 Ca 0.11 0.14 -0.27 0.00 -0.22 0.00 0.00 54.13 53.90 2k5k s LEU 33 Cb 0.07 1.52 -0.09 0.00 0.50 0.00 0.00 46.19 48.18 2k5k s LEU 33 CO 0.07 -0.31 1.20 1.51 -1.32 0.00 0.00 176.35 177.50 2k5k s ASP 34 N 2.67 6.71 0.68 3.68 -4.77 -1.24 -4.57 116.67 119.82 2k5k s ASP 34 Ca 0.13 2.44 -0.17 0.00 -3.30 0.00 0.00 52.55 51.65 2k5k s ASP 34 Cb -0.13 -2.63 -0.12 0.00 -1.09 0.00 0.00 42.92 38.95 2k5k s ASP 34 CO -0.24 -0.55 -0.07 0.00 0.70 0.00 0.00 175.17 175.01 2k5k n LEU 35 N 0.48 -2.80 0.30 2.11 -0.00 -1.26 -4.82 117.00 111.00 2k5k n LEU 35 Ca 0.02 0.54 0.19 0.00 -0.00 0.00 0.00 56.01 56.76 2k5k n LEU 35 Cb 0.45 -0.94 0.90 0.00 -0.00 0.00 0.00 43.42 43.83 2k5k n LEU 35 CO 0.54 -4.55 1.07 1.55 -0.00 0.00 0.00 177.39 176.00 2k5k h PRO 36 N -0.32 0.00 0.00 1.47 0.13 -2.03 -3.44 132.00 127.82 2k5k h PRO 36 Ca -0.43 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.63 2k5k h PRO 36 Cb 1.39 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.55 2k5k h PRO 36 CO 0.38 0.01 0.04 1.63 -0.23 0.00 0.00 178.00 179.82 2k5k n LYS 37 N -3.11 -1.03 -0.50 0.86 4.76 -1.26 -5.11 118.16 112.77 2k5k n LYS 37 Ca -0.01 -0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.12 2k5k n LYS 37 Cb 0.21 -0.26 0.00 0.00 -1.84 0.00 0.00 35.03 33.14 2k5k n LYS 37 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2k5k n GLU 38 N -1.89 0.00 0.00 1.97 -0.58 -1.26 -5.04 120.64 113.83 2k5k n GLU 38 Ca 0.03 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.88 2k5k n GLU 38 Cb 0.10 0.00 0.12 0.00 -0.57 0.00 0.00 31.44 31.09 2k5k n GLU 38 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2k5k n ILE 39 N 0.00 0.00 -2.34 -3.67 -5.35 -1.26 -5.05 119.36 101.69 2k5k n ILE 39 Ca 0.00 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 2k5k n ILE 39 Cb 0.00 0.90 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 2k5k n ILE 39 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k5k n GLY 40 N 1.41 2.72 0.00 3.28 0.00 -1.26 -5.01 105.19 106.33 2k5k n GLY 40 Ca 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2k5k n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5k n GLY 41 N 0.00 3.47 0.23 -0.02 0.00 -1.26 -4.90 105.19 102.71 2k5k n GLY 41 Ca 0.00 -1.78 0.14 0.00 0.00 0.00 0.00 46.02 44.38 2k5k n GLY 41 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2k5k h ARG 42 N 0.00 0.00 -6.05 1.61 0.11 -2.09 -3.45 114.38 104.52 2k5k h ARG 42 Ca 0.00 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.48 2k5k h ARG 42 Cb 0.00 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.03 2k5k h ARG 42 CO 0.00 0.00 -0.27 -0.80 0.10 0.00 0.00 179.97 179.00 2k5k s ASN 43 N -5.90 6.64 0.00 0.08 0.01 -1.26 -4.81 114.94 109.70 2k5k s ASN 43 Ca 0.05 0.77 0.00 0.00 -0.71 0.00 0.00 52.86 52.97 2k5k s ASN 43 Cb 0.07 -2.17 0.00 0.00 0.41 0.00 0.00 41.25 39.56 2k5k s ASN 43 CO 0.62 0.21 0.00 0.61 -1.51 0.00 0.00 177.10 177.03 2k5k n GLY 44 N 1.10 -1.14 0.27 0.66 0.00 -1.26 -4.96 105.19 99.87 2k5k n GLY 44 Ca -0.10 0.45 0.14 0.00 0.00 0.00 0.00 46.02 46.52 2k5k n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k5k h PRO 45 N 0.00 0.00 -6.91 1.61 0.13 -1.97 -3.47 132.00 121.40 2k5k h PRO 45 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.72 2k5k h PRO 45 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2k5k h PRO 45 CO 0.00 0.10 -0.73 0.39 -0.23 0.00 0.00 178.00 177.52 2k5k n GLU 46 N -3.53 -0.60 -2.20 0.86 -0.58 -1.26 -4.86 120.64 108.47 2k5k n GLU 46 Ca -0.02 0.03 -0.36 0.00 -0.42 0.00 0.00 57.16 56.40 2k5k n GLU 46 Cb 0.23 -1.45 0.01 0.00 -0.57 0.00 0.00 31.44 29.66 2k5k n GLU 46 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2k5k s PRO 47 N -6.11 3.36 0.00 3.49 0.04 -1.26 -5.04 135.00 129.48 2k5k s PRO 47 Ca 0.26 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2k5k s PRO 47 Cb -0.15 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2k5k s PRO 47 CO 0.67 -0.86 0.00 1.33 0.04 0.00 0.00 177.00 178.18 2k5k n VAL 48 N -1.18 0.00 -3.77 -0.36 0.24 -1.26 -4.93 118.33 107.08 2k5k n VAL 48 Ca 0.11 0.08 -0.32 0.00 -2.04 0.00 0.00 64.34 62.17 2k5k n VAL 48 Cb 0.50 -0.42 0.03 0.00 -1.47 0.00 0.00 33.84 32.48 2k5k n VAL 48 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2k5k n ARG 49 N 0.00 -1.42 -0.22 7.34 5.12 -1.26 -4.88 116.66 121.34 2k5k n ARG 49 Ca 0.00 0.40 0.09 0.00 -1.93 0.00 0.00 57.85 56.41 2k5k n ARG 49 Cb 0.00 -3.99 0.21 0.00 -1.16 0.00 0.00 32.46 27.52 2k5k n ARG 49 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2k5k n PHE 50 N -4.32 0.59 -2.51 -1.55 3.72 -1.26 -4.73 117.46 107.40 2k5k n PHE 50 Ca -0.13 -0.39 -0.42 0.00 -0.05 0.00 0.00 57.45 56.46 2k5k n PHE 50 Cb 0.60 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 39.14 2k5k n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k5k n GLY 51 N 1.12 4.97 3.77 1.37 0.00 -1.26 -5.01 105.19 110.15 2k5k n GLY 51 Ca 0.17 -2.27 -0.39 0.00 0.00 0.00 0.00 46.02 43.53 2k5k n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k5k s ASP 52 N -0.03 6.76 -0.44 1.61 1.01 -1.26 -4.97 116.67 119.34 2k5k s ASP 52 Ca 0.38 2.33 -0.29 0.00 0.71 0.00 0.00 52.55 55.68 2k5k s ASP 52 Cb 0.09 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.43 2k5k s ASP 52 CO 0.02 -0.51 1.22 0.86 0.21 0.00 0.00 175.17 176.98 2k5k s TRP 53 N -1.36 2.71 -0.11 4.23 -0.00 -1.26 -4.72 118.94 118.44 2k5k s TRP 53 Ca 0.53 0.74 0.04 0.00 -0.00 0.00 0.00 56.10 57.42 2k5k s TRP 53 Cb -0.31 -4.32 0.13 0.00 -0.00 0.00 0.00 33.47 28.97 2k5k s TRP 53 CO 0.39 -1.47 0.81 -0.85 -0.00 0.00 0.00 176.95 175.83 2k5k n GLU 54 N 7.82 0.43 -0.15 5.86 0.28 -1.26 -5.02 120.64 128.60 2k5k n GLU 54 Ca 0.13 -0.49 -0.09 0.00 -0.16 0.00 0.00 57.16 56.55 2k5k n GLU 54 Cb 0.48 0.27 -0.00 0.00 1.43 0.00 0.00 31.44 33.62 2k5k n GLU 54 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2k5k h LYS 55 N 0.31 0.65 0.00 3.44 1.57 -2.03 -3.47 116.57 117.04 2k5k h LYS 55 Ca -0.21 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2k5k h LYS 55 Cb 1.06 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2k5k h LYS 55 CO -0.09 0.59 0.00 1.63 -0.57 0.00 0.00 179.45 181.01 2k5k n LYS 56 N -4.62 0.00 -1.45 3.15 5.02 -1.26 -4.77 118.16 114.24 2k5k n LYS 56 Ca 0.01 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 2k5k n LYS 56 Cb 0.14 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.24 2k5k n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k5k n GLY 57 N 0.00 -0.11 0.24 0.72 0.00 -1.26 -5.00 105.19 99.78 2k5k n GLY 57 Ca 0.00 -1.88 -0.08 0.00 0.00 0.00 0.00 46.02 44.06 2k5k n GLY 57 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2k5k h ILE 58 N -0.88 1.22 0.00 -0.61 2.04 -2.02 -3.44 117.51 113.83 2k5k h ILE 58 Ca -0.21 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 64.94 2k5k h ILE 58 Cb 0.67 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2k5k h ILE 58 CO 0.19 0.27 0.00 0.00 0.00 0.00 0.00 178.15 178.60 2k5k n ALA 59 N -2.35 1.49 0.00 1.87 0.00 -1.26 -5.05 120.51 115.21 2k5k n ALA 59 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2k5k n ALA 59 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 2k5k n ALA 59 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2k5k n ILE 60 N -2.54 0.00 -1.40 0.00 3.06 -1.26 -5.17 119.36 112.05 2k5k n ILE 60 Ca 0.00 0.00 0.18 0.00 -2.50 0.00 0.00 62.75 60.43 2k5k n ILE 60 Cb 0.00 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.12 2k5k n ILE 60 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 2k5k n ASP 61 N -1.43 -8.26 0.00 9.51 2.03 -1.26 -4.94 116.55 112.20 2k5k n ASP 61 Ca 0.00 0.80 0.00 0.00 0.52 0.00 0.00 54.79 56.11 2k5k n ASP 61 Cb 0.00 -4.41 0.00 0.00 -0.72 0.00 0.00 41.12 35.99 2k5k n ASP 61 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61