#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 3.65 0.11 0.03 0.52 -1.26 -4.86 118.95 117.15 2k5k s ARG 2 Ca 0.00 -1.93 -0.19 0.00 -0.52 0.00 0.00 55.73 53.09 2k5k s ARG 2 Cb 0.00 -4.88 -0.06 0.00 0.52 0.00 0.00 34.95 30.53 2k5k s ARG 2 CO 0.00 -1.72 1.67 0.22 0.02 0.00 0.00 175.30 175.50 2k5k h ASP 3 N 8.54 0.33 -4.90 0.23 3.58 -2.13 -3.46 116.42 118.61 2k5k h ASP 3 Ca 0.17 -0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 2k5k h ASP 3 Cb 1.01 -0.09 -0.16 0.00 1.72 0.00 0.00 39.33 41.82 2k5k h ASP 3 CO 1.08 0.37 0.26 -0.32 -2.88 0.00 0.00 179.24 177.75 2k5k s MET 4 N -5.68 1.10 -0.06 0.28 1.75 -1.26 -5.14 119.30 110.29 2k5k s MET 4 Ca -0.13 -0.15 -0.30 0.00 -1.25 0.00 0.00 55.69 53.86 2k5k s MET 4 Cb 0.08 0.51 -0.03 0.00 2.84 0.00 0.00 34.83 38.24 2k5k s MET 4 CO 0.71 -0.43 1.17 -0.08 -0.65 0.00 0.00 175.02 175.74 2k5k s THR 5 N -2.57 4.35 -0.03 10.11 -1.32 -1.26 -5.02 115.64 119.89 2k5k s THR 5 Ca -0.03 1.66 -0.02 0.00 -1.21 0.00 0.00 61.69 62.10 2k5k s THR 5 Cb -0.01 -4.07 0.02 0.00 -1.51 0.00 0.00 72.50 66.93 2k5k s THR 5 CO -0.03 0.00 0.07 -1.61 -2.21 0.00 0.00 174.62 170.84 2k5k s GLU 6 N 2.16 0.04 0.10 7.08 2.02 -1.26 -5.06 118.70 123.79 2k5k s GLU 6 Ca 0.54 0.17 0.00 0.00 0.02 0.00 0.00 54.97 55.71 2k5k s GLU 6 Cb -0.24 -0.09 0.00 0.00 0.10 0.00 0.00 34.13 33.91 2k5k s GLU 6 CO 0.21 -0.08 0.00 0.39 0.02 0.00 0.00 175.26 175.80 2k5k n GLU 7 N 3.60 0.00 -4.28 1.61 -0.58 -1.26 -5.04 120.64 114.69 2k5k n GLU 7 Ca -0.19 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.21 2k5k n GLU 7 Cb 0.55 -0.45 -0.15 0.00 -0.57 0.00 0.00 31.44 30.82 2k5k n GLU 7 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2k5k s THR 8 N -2.00 2.60 0.30 2.62 2.01 -1.26 -4.98 115.64 114.94 2k5k s THR 8 Ca 0.00 -0.77 0.23 0.00 0.31 0.00 0.00 61.69 61.46 2k5k s THR 8 Cb 0.00 -2.12 0.22 0.00 0.01 0.00 0.00 72.50 70.61 2k5k s THR 8 CO 0.00 0.50 1.92 0.03 -0.69 0.00 0.00 174.62 176.38 2k5k h ARG 9 N 7.67 0.00 0.00 4.92 3.08 -2.04 -3.47 114.38 124.55 2k5k h ARG 9 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.66 2k5k h ARG 9 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2k5k h ARG 9 CO 0.60 0.23 0.00 1.63 -1.07 0.00 0.00 179.97 181.35 2k5k n LYS 10 N -3.64 0.00 -2.22 0.04 5.02 -1.26 -4.65 118.16 111.45 2k5k n LYS 10 Ca -0.01 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.02 2k5k n LYS 10 Cb 0.35 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.44 2k5k n LYS 10 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k5k s ASP 11 N -4.00 4.72 0.55 4.39 1.01 -1.26 -5.03 116.67 117.05 2k5k s ASP 11 Ca 0.00 0.39 -0.21 0.00 0.71 0.00 0.00 52.55 53.43 2k5k s ASP 11 Cb 0.00 -1.00 -0.05 0.00 1.01 0.00 0.00 42.92 42.87 2k5k s ASP 11 CO 0.00 -1.65 1.24 0.18 0.21 0.00 0.00 175.17 175.15 2k5k n LEU 12 N -2.94 4.86 -4.67 1.23 7.99 -1.26 -4.97 117.00 117.24 2k5k n LEU 12 Ca 0.09 0.95 -0.30 0.00 -0.01 0.00 0.00 56.01 56.73 2k5k n LEU 12 Cb 0.60 -1.51 0.16 0.00 -0.11 0.00 0.00 43.42 42.56 2k5k n LEU 12 CO 0.51 -0.94 0.65 -2.16 -1.51 0.00 0.00 177.39 173.93 2k5k s PRO 13 N -2.77 0.92 -0.54 3.23 0.04 -1.26 -4.68 135.00 129.94 2k5k s PRO 13 Ca 0.72 1.06 -0.05 0.00 0.04 0.00 0.00 61.00 62.77 2k5k s PRO 13 Cb -0.43 -1.75 -0.18 0.00 0.04 0.00 0.00 34.50 32.17 2k5k s PRO 13 CO 0.49 -2.54 1.56 -2.30 0.04 0.00 0.00 177.00 174.26 2k5k n PRO 14 N -4.12 0.00 -0.10 0.56 -0.02 -1.26 -4.68 135.00 125.38 2k5k n PRO 14 Ca 0.08 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.50 2k5k n PRO 14 Cb 0.54 -0.95 0.12 0.00 -0.02 0.00 0.00 33.50 33.20 2k5k n PRO 14 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2k5k h GLU 15 N 9.58 0.79 -0.02 -0.52 4.11 -2.01 -2.37 114.58 124.14 2k5k h GLU 15 Ca 0.02 -0.26 -0.04 0.00 0.07 0.00 0.00 59.36 59.15 2k5k h GLU 15 Cb 1.02 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2k5k h GLU 15 CO 1.28 0.86 -0.18 0.00 0.07 0.00 0.00 179.01 181.05 2k5k h ALA 16 N 1.17 1.66 -0.31 1.06 0.00 -1.99 -1.84 119.26 119.00 2k5k h ALA 16 Ca 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2k5k h ALA 16 Cb 0.58 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2k5k h ALA 16 CO 0.04 0.26 0.13 1.25 0.00 0.00 0.00 179.25 180.93 2k5k h LEU 17 N 0.03 0.43 -1.06 0.00 5.85 -1.79 -2.39 115.31 116.38 2k5k h LEU 17 Ca 0.01 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.50 2k5k h LEU 17 Cb 0.34 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2k5k h LEU 17 CO 0.02 0.46 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.43 2k5k h ARG 18 N 0.36 0.59 -0.29 1.25 2.43 -1.39 -1.69 114.38 115.65 2k5k h ARG 18 Ca 0.11 -0.16 0.08 0.00 -0.81 0.00 0.00 59.98 59.20 2k5k h ARG 18 Cb 0.16 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2k5k h ARG 18 CO -0.01 0.66 0.61 0.00 -1.51 0.00 0.00 179.97 179.72 2k5k h ALA 19 N 1.38 1.94 -0.76 2.80 0.00 -0.80 1.25 119.26 125.07 2k5k h ALA 19 Ca 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2k5k h ALA 19 Cb 0.46 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2k5k h ALA 19 CO 0.02 -0.76 0.45 1.25 0.00 0.00 0.00 179.25 180.21 2k5k h LEU 20 N 0.00 0.91 -1.90 0.00 5.85 -1.28 -0.99 115.31 117.90 2k5k h LEU 20 Ca 0.14 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.88 2k5k h LEU 20 Cb 1.36 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2k5k h LEU 20 CO -0.00 0.70 0.44 0.00 -0.34 0.00 0.00 178.44 179.24 2k5k h ALA 21 N 1.45 1.84 0.00 1.25 0.00 0.14 0.68 119.26 124.62 2k5k h ALA 21 Ca 0.27 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2k5k h ALA 21 Cb -0.04 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2k5k h ALA 21 CO -0.05 -0.58 -0.13 1.49 0.00 0.00 0.00 179.25 179.99 2k5k h GLU 22 N 0.00 0.00 -0.06 0.00 4.57 -1.30 -0.41 114.58 117.38 2k5k h GLU 22 Ca 0.12 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.32 2k5k h GLU 22 Cb 1.01 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.59 2k5k h GLU 22 CO -0.00 0.13 0.26 0.00 -1.18 0.00 0.00 179.01 178.22 2k5k h ALA 23 N 1.87 1.39 -0.46 2.92 0.00 0.23 0.14 119.26 125.35 2k5k h ALA 23 Ca -0.00 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2k5k h ALA 23 Cb 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2k5k h ALA 23 CO 0.02 -0.29 0.30 1.49 0.00 0.00 0.00 179.25 180.77 2k5k h GLU 24 N 0.00 0.51 0.00 0.00 4.22 -1.22 -0.16 114.58 117.94 2k5k h GLU 24 Ca 0.03 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2k5k h GLU 24 Cb 0.56 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2k5k h GLU 24 CO -0.00 0.34 0.41 1.49 -2.18 0.00 0.00 179.01 179.07 2k5k h GLU 25 N 0.53 0.00 -4.90 1.92 4.81 -0.91 -3.42 114.58 112.61 2k5k h GLU 25 Ca 0.18 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.08 2k5k h GLU 25 Cb 0.07 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.31 2k5k h GLU 25 CO -0.04 0.00 -0.64 -0.98 -0.73 0.00 0.00 179.01 176.62 2k5k s ARG 26 N -4.03 1.30 -0.71 1.92 1.70 -0.07 -5.03 118.95 114.03 2k5k s ARG 26 Ca -0.03 -1.67 -0.15 0.00 -0.47 0.00 0.00 55.73 53.41 2k5k s ARG 26 Cb 0.07 -0.34 -0.18 0.00 -0.57 0.00 0.00 34.95 33.93 2k5k s ARG 26 CO 0.23 -0.20 1.91 2.89 -1.08 0.00 0.00 175.30 179.05 2k5k n ARG 27 N -0.39 0.15 0.26 3.89 1.85 -1.26 -4.65 116.66 116.52 2k5k n ARG 27 Ca -0.03 -0.61 0.15 0.00 -1.00 0.00 0.00 57.85 56.37 2k5k n ARG 27 Cb 0.65 -2.34 0.57 0.00 -1.05 0.00 0.00 32.46 30.29 2k5k n ARG 27 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 2k5k h ARG 28 N 11.05 0.00 -0.76 2.89 2.43 -1.84 -3.13 114.38 125.02 2k5k h ARG 28 Ca 0.01 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.28 2k5k h ARG 28 Cb 1.03 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.51 2k5k h ARG 28 CO 1.17 0.04 0.40 0.07 -1.51 0.00 0.00 179.97 180.14 2k5k h ARG 29 N 0.00 0.65 -0.42 0.20 0.11 -1.93 -1.08 114.38 111.91 2k5k h ARG 29 Ca -0.00 -0.04 -0.14 0.00 0.10 0.00 0.00 59.98 59.90 2k5k h ARG 29 Cb 0.63 -0.15 -0.01 0.00 1.11 0.00 0.00 29.97 31.55 2k5k h ARG 29 CO 0.01 0.43 -0.30 0.00 0.10 0.00 0.00 179.97 180.20 2k5k h ALA 30 N 1.44 0.60 -0.39 0.08 0.00 -1.94 -1.09 119.26 117.97 2k5k h ALA 30 Ca 0.37 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2k5k h ALA 30 Cb 0.38 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2k5k h ALA 30 CO -0.27 0.65 0.16 -0.22 0.00 0.00 0.00 179.25 179.57 2k5k h LYS 31 N 0.78 0.32 0.39 0.00 3.64 -1.38 -3.06 116.57 117.26 2k5k h LYS 31 Ca 0.08 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2k5k h LYS 31 Cb 0.89 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2k5k h LYS 31 CO 0.08 0.21 -0.19 0.00 -2.27 0.00 0.00 179.45 177.28 2k5k h ALA 32 N 1.23 -0.53 -1.94 5.00 0.00 -1.20 -3.49 119.26 118.34 2k5k h ALA 32 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k5k h ALA 32 Cb 0.13 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2k5k h ALA 32 CO -0.16 -0.59 0.00 -0.11 0.00 0.00 0.00 179.25 178.39 2k5k n LEU 33 N -5.17 -1.29 0.00 0.00 -0.00 -0.42 -4.77 117.00 105.36 2k5k n LEU 33 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 2k5k n LEU 33 Cb 0.28 -0.65 0.00 0.00 -0.00 0.00 0.00 43.42 43.06 2k5k n LEU 33 CO 0.28 0.00 0.00 -0.67 -0.00 0.00 0.00 177.39 177.00 2k5k n ASP 34 N -0.51 0.00 -2.87 1.96 -0.08 -1.26 -4.77 116.55 109.02 2k5k n ASP 34 Ca 0.00 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.26 2k5k n ASP 34 Cb 0.19 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.65 2k5k n ASP 34 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2k5k n LEU 35 N 0.00 -6.71 -4.79 -2.67 0.00 -1.26 -4.98 117.00 96.59 2k5k n LEU 35 Ca 0.00 0.09 -0.34 0.00 0.00 0.00 0.00 56.01 55.77 2k5k n LEU 35 Cb 0.00 -3.15 0.01 0.00 0.00 0.00 0.00 43.42 40.28 2k5k n LEU 35 CO 0.00 -1.36 0.74 -2.16 0.00 0.00 0.00 177.39 174.61 2k5k s PRO 36 N -2.85 3.28 0.28 1.96 0.04 -1.26 -5.05 135.00 131.40 2k5k s PRO 36 Ca 0.07 1.37 -0.04 0.00 0.04 0.00 0.00 61.00 62.44 2k5k s PRO 36 Cb -0.02 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 2k5k s PRO 36 CO 0.69 -0.86 0.53 0.15 0.04 0.00 0.00 177.00 177.54 2k5k s LYS 37 N -3.76 3.60 0.00 4.56 1.02 -1.26 -5.00 119.74 118.91 2k5k s LYS 37 Ca 0.67 -0.08 0.00 0.00 0.02 0.00 0.00 55.97 56.58 2k5k s LYS 37 Cb -0.19 -2.68 0.00 0.00 -0.52 0.00 0.00 37.83 34.44 2k5k s LYS 37 CO 0.33 0.24 0.00 0.39 -0.92 0.00 0.00 175.35 175.39 2k5k n GLU 38 N -0.95 0.60 -0.13 1.68 1.02 -1.26 -4.75 120.64 116.84 2k5k n GLU 38 Ca -0.02 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.02 2k5k n GLU 38 Cb 0.54 -0.58 -0.01 0.00 -0.02 0.00 0.00 31.44 31.37 2k5k n GLU 38 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2k5k h ILE 39 N 0.00 1.21 -0.41 -3.67 2.04 -2.00 -2.91 117.51 111.76 2k5k h ILE 39 Ca 0.00 -0.65 -0.06 0.00 1.00 0.00 0.00 64.86 65.14 2k5k h ILE 39 Cb 0.15 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 2k5k h ILE 39 CO 0.00 0.23 -0.01 1.23 0.00 0.00 0.00 178.15 179.60 2k5k h GLY 40 N 0.50 0.72 -5.25 5.37 0.00 -2.02 -3.43 103.07 98.97 2k5k h GLY 40 Ca 0.13 -0.46 -0.62 0.00 0.00 0.00 0.00 47.33 46.38 2k5k h GLY 40 CO -0.01 0.43 -0.26 -0.32 0.00 0.00 0.00 176.54 176.38 2k5k s GLY 41 N -3.79 2.39 0.53 4.60 0.00 -1.10 -4.98 107.32 104.97 2k5k s GLY 41 Ca -0.08 -0.32 0.29 0.00 0.00 0.00 0.00 44.72 44.61 2k5k s GLY 41 CO 0.79 0.11 2.05 3.21 0.00 0.00 0.00 173.10 179.26 2k5k h ARG 42 N 5.06 0.00 0.00 2.90 3.08 -1.83 -3.45 114.38 120.14 2k5k h ARG 42 Ca -0.51 0.00 0.21 0.00 0.07 0.00 0.00 59.98 59.76 2k5k h ARG 42 Cb 1.21 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.21 2k5k h ARG 42 CO 0.63 0.11 -0.28 0.09 -1.07 0.00 0.00 179.97 179.45 2k5k n ASN 43 N -3.47 -6.89 -3.19 7.04 5.03 -1.26 -4.68 115.26 107.85 2k5k n ASN 43 Ca -0.01 0.84 -0.22 0.00 0.87 0.00 0.00 54.58 56.06 2k5k n ASN 43 Cb 0.26 -2.40 -0.05 0.00 -1.02 0.00 0.00 39.78 36.57 2k5k n ASN 43 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2k5k n GLY 44 N -2.32 3.71 3.82 7.41 0.00 -1.26 -5.12 105.19 111.43 2k5k n GLY 44 Ca 0.01 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 2k5k n GLY 44 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k5k s PRO 45 N -2.10 3.42 -0.44 1.61 0.04 -1.26 -5.05 135.00 131.22 2k5k s PRO 45 Ca 0.39 1.07 0.06 0.00 0.04 0.00 0.00 61.00 62.56 2k5k s PRO 45 Cb 0.25 -2.05 0.22 0.00 0.04 0.00 0.00 34.50 32.95 2k5k s PRO 45 CO -0.09 -0.72 0.60 -1.91 0.04 0.00 0.00 177.00 174.92 2k5k n GLU 46 N -2.18 0.56 -1.75 4.56 2.13 -1.26 -5.14 120.64 117.56 2k5k n GLU 46 Ca 0.08 -2.64 -0.39 0.00 0.66 0.00 0.00 57.16 54.87 2k5k n GLU 46 Cb 0.53 -1.44 0.04 0.00 0.27 0.00 0.00 31.44 30.85 2k5k n GLU 46 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2k5k n PRO 47 N 2.12 1.82 -3.49 5.31 -0.02 -1.26 -4.99 135.00 134.48 2k5k n PRO 47 Ca 0.20 0.66 -0.37 0.00 -2.02 0.00 0.00 63.50 61.98 2k5k n PRO 47 Cb 0.55 -2.60 -0.07 0.00 -0.02 0.00 0.00 33.50 31.35 2k5k n PRO 47 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2k5k s VAL 48 N -1.27 5.28 -1.23 -1.45 1.01 -1.26 -5.01 120.40 116.47 2k5k s VAL 48 Ca 0.70 0.64 -0.07 0.00 0.00 0.00 0.00 61.98 63.25 2k5k s VAL 48 Cb -0.42 -3.67 0.20 0.00 0.00 0.00 0.00 36.38 32.48 2k5k s VAL 48 CO 0.51 0.38 1.92 -1.14 0.00 0.00 0.00 175.10 176.77 2k5k n ARG 49 N 3.54 4.17 -3.97 2.72 0.63 -1.26 -4.75 116.66 117.74 2k5k n ARG 49 Ca -0.11 -3.80 -0.41 0.00 -0.92 0.00 0.00 57.85 52.62 2k5k n ARG 49 Cb 0.52 -2.74 0.02 0.00 0.45 0.00 0.00 32.46 30.71 2k5k n ARG 49 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2k5k n PHE 50 N 2.53 -1.58 -0.20 -0.14 3.72 -1.26 -4.85 117.46 115.68 2k5k n PHE 50 Ca 0.43 0.26 -0.06 0.00 -0.05 0.00 0.00 57.45 58.03 2k5k n PHE 50 Cb 0.32 -2.86 0.09 0.00 -0.94 0.00 0.00 39.48 36.09 2k5k n PHE 50 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2k5k h GLY 51 N -2.08 1.09 -7.39 1.37 0.00 -2.01 -3.37 103.07 90.68 2k5k h GLY 51 Ca -0.69 -0.71 -0.68 0.00 0.00 0.00 0.00 47.33 45.25 2k5k h GLY 51 CO 0.48 0.66 0.61 0.51 0.00 0.00 0.00 176.54 178.81 2k5k s ASP 52 N -6.54 6.47 -1.08 0.19 -4.77 -1.26 -4.97 116.67 104.71 2k5k s ASP 52 Ca -0.11 -1.75 -0.15 0.00 -3.30 0.00 0.00 52.55 47.23 2k5k s ASP 52 Cb 0.15 -2.38 0.16 0.00 -1.09 0.00 0.00 42.92 39.76 2k5k s ASP 52 CO 0.84 -1.13 1.27 0.86 0.70 0.00 0.00 175.17 177.71 2k5k s TRP 53 N 2.84 3.40 -0.32 2.11 -0.11 -1.26 -4.73 118.94 120.87 2k5k s TRP 53 Ca 0.26 -1.87 -0.29 0.00 1.22 0.00 0.00 56.10 55.43 2k5k s TRP 53 Cb -0.11 -4.26 0.04 0.00 -1.50 0.00 0.00 33.47 27.65 2k5k s TRP 53 CO -0.03 -1.39 0.48 -1.91 -4.62 0.00 0.00 176.95 169.48 2k5k n GLU 54 N 5.78 -1.43 -4.33 5.86 2.13 -1.26 -4.94 120.64 122.44 2k5k n GLU 54 Ca 0.30 1.17 -0.34 0.00 0.66 0.00 0.00 57.16 58.95 2k5k n GLU 54 Cb 0.45 -1.61 -0.14 0.00 0.27 0.00 0.00 31.44 30.41 2k5k n GLU 54 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2k5k s LYS 55 N -1.95 3.42 0.19 5.31 2.20 -1.26 -5.01 119.74 122.64 2k5k s LYS 55 Ca 0.28 -0.63 -0.10 0.00 -0.36 0.00 0.00 55.97 55.15 2k5k s LYS 55 Cb -0.03 -2.84 0.10 0.00 -1.51 0.00 0.00 37.83 33.55 2k5k s LYS 55 CO 0.63 0.04 1.73 0.87 -0.36 0.00 0.00 175.35 178.25 2k5k h LYS 56 N 7.33 1.02 -2.34 4.03 1.57 -1.92 -3.49 116.57 122.76 2k5k h LYS 56 Ca -0.34 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 2k5k h LYS 56 Cb 1.18 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2k5k h LYS 56 CO 0.59 0.87 0.00 0.41 -0.57 0.00 0.00 179.45 180.75 2k5k n GLY 57 N -0.77 -2.65 3.60 3.86 0.00 -1.26 -4.70 105.19 103.27 2k5k n GLY 57 Ca 0.05 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 2k5k n GLY 57 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k5k n ILE 58 N 0.13 -2.61 -2.43 -0.61 2.08 -1.26 -4.82 119.36 109.84 2k5k n ILE 58 Ca 0.00 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.30 2k5k n ILE 58 Cb 0.00 -3.62 0.04 0.00 -0.75 0.00 0.00 39.64 35.32 2k5k n ILE 58 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2k5k n ALA 59 N -4.75 0.43 0.23 -1.39 0.00 -1.26 -4.98 120.51 108.78 2k5k n ALA 59 Ca 0.00 -0.44 0.10 0.00 0.00 0.00 0.00 53.44 53.10 2k5k n ALA 59 Cb 0.56 -0.59 0.52 0.00 0.00 0.00 0.00 19.45 19.94 2k5k n ALA 59 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2k5k h ILE 60 N 1.96 0.66 0.00 0.00 3.07 -1.94 -3.46 117.51 117.81 2k5k h ILE 60 Ca -0.22 -1.01 0.00 0.00 1.55 0.00 0.00 64.86 65.18 2k5k h ILE 60 Cb 1.10 1.65 0.00 0.00 -0.27 0.00 0.00 36.82 39.30 2k5k h ILE 60 CO -0.10 0.22 0.00 -0.67 -1.05 0.00 0.00 178.15 176.56 2k5k n ASP 61 N -3.54 0.00 0.00 2.16 -0.08 -1.26 -5.10 116.55 108.73 2k5k n ASP 61 Ca -0.01 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.31 2k5k n ASP 61 Cb 0.38 0.00 0.20 0.00 2.34 0.00 0.00 41.12 44.04 2k5k n ASP 61 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65