#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o5j s GLU 3 N 0.00 3.60 0.19 0.00 2.02 -1.26 -5.04 118.70 118.21 2o5j s GLU 3 Ca 0.00 -0.14 -0.33 0.00 0.02 0.00 0.00 54.97 54.53 2o5j s GLU 3 Cb 0.00 -2.79 -0.14 0.00 0.10 0.00 0.00 34.13 31.30 2o5j s GLU 3 CO 0.00 0.38 1.46 -2.30 0.02 0.00 0.00 175.26 174.82 2o5j n PRO 4 N -0.39 1.96 -3.41 0.39 -0.02 -1.26 -3.24 135.00 129.04 2o5j n PRO 4 Ca -0.03 0.70 -0.14 0.00 -2.02 0.00 0.00 63.50 62.02 2o5j n PRO 4 Cb 0.53 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 2o5j n PRO 4 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2o5j n GLY 5 N 2.70 -0.13 0.26 -1.23 0.00 -1.26 -4.79 105.19 100.74 2o5j n GLY 5 Ca 0.15 0.09 -0.00 0.00 0.00 0.00 0.00 46.02 46.25 2o5j n GLY 5 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2o5j h ILE 6 N 0.21 1.21 -0.10 -0.61 6.09 -1.98 -0.69 117.51 121.63 2o5j h ILE 6 Ca -0.26 -0.89 -0.19 0.00 -1.37 0.00 0.00 64.86 62.15 2o5j h ILE 6 Cb 0.54 1.07 -0.00 0.00 0.47 0.00 0.00 36.82 38.90 2o5j h ILE 6 CO 0.25 0.29 -0.73 0.44 -3.07 0.00 0.00 178.15 175.34 2o5j h ASP 7 N 0.45 0.60 -0.71 2.19 5.19 -1.89 0.13 116.42 122.37 2o5j h ASP 7 Ca 0.09 -0.39 0.02 0.00 -0.62 0.00 0.00 57.03 56.12 2o5j h ASP 7 Cb 0.41 -0.18 -0.04 0.00 0.18 0.00 0.00 39.33 39.70 2o5j h ASP 7 CO 0.02 1.14 0.46 0.11 -3.12 0.00 0.00 179.24 177.86 2o5j h LYS 8 N 0.35 0.91 -0.05 3.56 1.57 -1.81 -1.48 116.57 119.62 2o5j h LYS 8 Ca -0.03 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2o5j h LYS 8 Cb 1.31 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 2o5j h LYS 8 CO 0.13 0.60 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.54 2o5j h LEU 9 N 0.93 0.09 -1.15 2.94 3.38 -1.00 -2.82 115.31 117.68 2o5j h LEU 9 Ca 0.27 -0.33 0.15 0.00 0.09 0.00 0.00 57.88 58.06 2o5j h LEU 9 Cb -0.06 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.58 2o5j h LEU 9 CO -0.08 0.40 0.61 -0.26 0.09 0.00 0.00 178.44 179.20 2o5j h PHE 10 N -0.22 0.96 0.00 1.13 0.05 -0.55 -0.65 116.94 117.67 2o5j h PHE 10 Ca 0.01 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.81 2o5j h PHE 10 Cb 0.36 -0.30 -0.00 0.00 2.00 0.00 0.00 35.95 38.01 2o5j h PHE 10 CO 0.04 0.32 -0.09 0.78 -0.18 0.00 0.00 178.31 179.18 2o5j h GLY 11 N 0.78 0.00 2.00 -1.45 0.00 -1.20 -3.17 103.07 100.03 2o5j h GLY 11 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 2o5j h GLY 11 CO -0.27 0.00 0.00 -0.33 0.00 0.00 0.00 176.54 175.94 2o5j h MET 12 N 0.00 0.00 -6.23 4.80 2.86 -0.85 -3.45 114.93 112.06 2o5j h MET 12 Ca -0.00 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.06 2o5j h MET 12 Cb 0.86 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.41 2o5j h MET 12 CO 0.01 0.00 -0.68 0.08 1.06 0.00 0.00 176.91 177.38 2o5j s VAL 13 N -3.41 3.18 -0.41 -2.22 1.01 -1.20 -5.04 120.40 112.32 2o5j s VAL 13 Ca 0.05 -2.02 0.22 0.00 0.00 0.00 0.00 61.98 60.23 2o5j s VAL 13 Cb 0.08 -2.68 0.30 0.00 0.00 0.00 0.00 36.38 34.08 2o5j s VAL 13 CO 0.56 -0.36 1.56 -2.24 0.00 0.00 0.00 175.10 174.62 2o5j h ASP 14 N 2.08 0.00 -3.69 3.32 2.03 -1.88 -3.45 116.42 114.83 2o5j h ASP 14 Ca -0.43 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 55.71 2o5j h ASP 14 Cb 1.25 0.00 -0.26 0.00 -0.83 0.00 0.00 39.33 39.49 2o5j h ASP 14 CO 0.60 0.04 -0.37 -0.44 -1.03 0.00 0.00 179.24 178.03 2o5j s SER 15 N -6.17 -0.33 0.14 4.15 0.01 -1.26 -5.06 113.70 105.17 2o5j s SER 15 Ca 0.06 0.64 -0.32 0.00 1.31 0.00 0.00 55.95 57.64 2o5j s SER 15 Cb 0.05 0.61 -0.10 0.00 0.21 0.00 0.00 66.02 66.80 2o5j s SER 15 CO 0.68 -0.13 1.54 0.50 0.41 0.00 0.00 173.24 176.25 2o5j h LYS 16 N 6.09 -0.25 0.00 12.44 3.64 -1.89 0.14 116.57 136.74 2o5j h LYS 16 Ca -0.30 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2o5j h LYS 16 Cb 1.18 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2o5j h LYS 16 CO 0.32 -0.17 0.00 1.88 -2.27 0.00 0.00 179.45 179.21 2o5j h TYR 17 N -0.26 0.00 0.04 1.91 0.05 -2.01 -1.94 116.97 114.76 2o5j h TYR 17 Ca 0.10 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.65 2o5j h TYR 17 Cb 0.53 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.29 2o5j h TYR 17 CO -0.83 0.00 -0.92 -0.09 -1.05 0.00 0.00 178.16 175.27 2o5j h ARG 18 N 0.00 0.55 -0.93 4.88 2.43 -1.14 -3.00 114.38 117.18 2o5j h ARG 18 Ca 0.00 -0.65 0.10 0.00 -0.81 0.00 0.00 59.98 58.62 2o5j h ARG 18 Cb 0.05 0.20 -0.08 0.00 -0.42 0.00 0.00 29.97 29.72 2o5j h ARG 18 CO 0.00 1.26 0.57 1.25 -1.51 0.00 0.00 179.97 181.54 2o5j h LEU 19 N 0.13 0.85 -0.32 3.80 5.85 -1.28 -0.76 115.31 123.58 2o5j h LEU 19 Ca -0.13 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.66 2o5j h LEU 19 Cb 1.61 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.48 2o5j h LEU 19 CO 0.18 0.49 0.15 0.74 -0.34 0.00 0.00 178.44 179.65 2o5j h THR 20 N 0.95 0.97 -0.64 1.05 2.02 -1.58 0.05 112.91 115.72 2o5j h THR 20 Ca 0.44 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.51 2o5j h THR 20 Cb 0.36 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 2o5j h THR 20 CO -0.23 0.06 0.38 0.58 0.37 0.00 0.00 175.52 176.67 2o5j h VAL 21 N 0.31 1.19 0.76 3.16 2.07 -1.13 -2.09 116.25 120.51 2o5j h VAL 21 Ca 0.13 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2o5j h VAL 21 Cb 0.06 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2o5j h VAL 21 CO -0.10 0.20 -0.42 0.58 0.02 0.00 0.00 177.57 177.85 2o5j h VAL 22 N 0.87 0.15 -0.62 2.57 2.07 -0.63 -0.01 116.25 120.66 2o5j h VAL 22 Ca 0.23 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.87 2o5j h VAL 22 Cb -0.01 0.15 -0.09 0.00 -1.52 0.00 0.00 31.29 29.82 2o5j h VAL 22 CO -0.04 0.00 0.12 0.58 0.02 0.00 0.00 177.57 178.25 2o5j h VAL 23 N -1.09 0.61 0.49 2.57 2.07 -0.96 0.07 116.25 120.01 2o5j h VAL 23 Ca -0.10 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2o5j h VAL 23 Cb 0.86 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2o5j h VAL 23 CO 0.13 0.04 -0.26 0.00 0.02 0.00 0.00 177.57 177.51 2o5j h ALA 24 N 1.51 -0.69 -0.21 1.67 0.00 -1.20 0.49 119.26 120.82 2o5j h ALA 24 Ca 0.33 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2o5j h ALA 24 Cb 0.50 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2o5j h ALA 24 CO -0.43 -0.90 0.12 0.87 0.00 0.00 0.00 179.25 178.92 2o5j h LYS 25 N -0.70 0.28 -0.28 0.00 1.57 -0.67 -0.68 116.57 116.09 2o5j h LYS 25 Ca -0.06 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.58 2o5j h LYS 25 Cb 0.55 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 2o5j h LYS 25 CO 0.09 0.20 -0.27 -0.09 -0.57 0.00 0.00 179.45 178.82 2o5j h ARG 26 N 0.29 0.68 -0.36 3.15 9.65 -0.55 -2.66 114.38 124.59 2o5j h ARG 26 Ca 0.08 -0.36 -0.04 0.00 -1.10 0.00 0.00 59.98 58.56 2o5j h ARG 26 Cb -0.01 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 2o5j h ARG 26 CO -0.01 0.97 0.05 0.00 2.80 0.00 0.00 179.97 183.77 2o5j h ALA 27 N 0.71 1.43 0.41 2.80 0.00 -0.23 -0.32 119.26 124.05 2o5j h ALA 27 Ca 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2o5j h ALA 27 Cb 0.83 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2o5j h ALA 27 CO 0.07 0.41 -0.20 1.96 0.00 0.00 0.00 179.25 181.49 2o5j h GLN 28 N 0.52 -0.53 -0.08 0.00 4.20 -0.98 -2.77 115.11 115.46 2o5j h GLN 28 Ca 0.12 0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 2o5j h GLN 28 Cb 0.26 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2o5j h GLN 28 CO 0.00 -0.33 -0.18 1.96 -0.67 0.00 0.00 178.83 179.61 2o5j h GLN 29 N -0.59 0.13 -0.82 1.46 4.20 -1.27 -1.79 115.11 116.43 2o5j h GLN 29 Ca -0.06 -0.03 0.12 0.00 0.06 0.00 0.00 58.65 58.74 2o5j h GLN 29 Cb 0.45 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.13 2o5j h GLN 29 CO 0.09 0.32 0.44 1.25 -0.67 0.00 0.00 178.83 180.26 2o5j h LEU 30 N 0.12 0.58 0.00 1.46 5.85 -0.78 -3.09 115.31 119.45 2o5j h LEU 30 Ca 0.02 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 2o5j h LEU 30 Cb 0.40 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2o5j h LEU 30 CO 0.03 0.30 -0.36 -0.07 -0.34 0.00 0.00 178.44 178.00 2o5j h LEU 31 N 0.69 0.00 0.00 2.25 3.38 -1.24 -2.87 115.31 117.52 2o5j h LEU 31 Ca 0.42 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2o5j h LEU 31 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2o5j h LEU 31 CO -0.30 0.95 0.00 -1.14 0.09 0.00 0.00 178.44 178.04 2o5j n ARG 32 N -4.61 0.00 0.00 1.13 0.63 -0.72 -1.91 116.66 111.17 2o5j n ARG 32 Ca -0.12 0.54 0.03 0.00 -0.92 0.00 0.00 57.85 57.38 2o5j n ARG 32 Cb 0.37 -1.26 0.16 0.00 0.45 0.00 0.00 32.46 32.18 2o5j n ARG 32 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2o5j n HIS 33 N -1.72 0.00 0.00 -0.14 -0.00 -1.17 -4.82 115.22 107.38 2o5j n HIS 33 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2o5j n HIS 33 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2o5j n HIS 33 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2o5j n GLY 34 N -0.53 3.24 0.00 -1.41 0.00 -0.80 -4.39 105.19 101.29 2o5j n GLY 34 Ca 0.04 -1.61 0.11 0.00 0.00 0.00 0.00 46.02 44.56 2o5j n GLY 34 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2o5j n PHE 35 N 0.07 0.00 1.66 1.61 7.35 -1.08 -3.09 117.46 123.98 2o5j n PHE 35 Ca 0.00 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.80 2o5j n PHE 35 Cb 0.00 -0.34 0.54 0.00 0.35 0.00 0.00 39.48 40.03 2o5j n PHE 35 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2o5j n LYS 36 N -1.34 1.35 -1.35 -4.13 4.76 -1.26 -4.52 118.16 111.67 2o5j n LYS 36 Ca 0.09 -0.52 -0.41 0.00 -2.87 0.00 0.00 58.31 54.60 2o5j n LYS 36 Cb 0.20 -1.38 -0.03 0.00 -1.84 0.00 0.00 35.03 31.98 2o5j n LYS 36 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2o5j n ASN 37 N -0.29 3.39 -4.36 4.39 4.13 -1.18 -4.86 115.26 116.48 2o5j n ASN 37 Ca 0.17 -2.71 -0.19 0.00 1.68 0.00 0.00 54.58 53.53 2o5j n ASN 37 Cb 0.20 -1.33 -0.10 0.00 -1.54 0.00 0.00 39.78 37.01 2o5j n ASN 37 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2o5j s THR 38 N 4.13 1.64 -0.59 3.41 -4.23 -1.26 -4.80 115.64 113.94 2o5j s THR 38 Ca 0.53 -2.17 0.08 0.00 -1.18 0.00 0.00 61.69 58.94 2o5j s THR 38 Cb 0.14 -2.13 0.21 0.00 1.34 0.00 0.00 72.50 72.06 2o5j s THR 38 CO 0.02 -0.53 1.18 1.33 -0.54 0.00 0.00 174.62 176.08 2o5j n VAL 39 N -0.41 1.06 -2.71 2.29 0.24 -1.26 -4.81 118.33 112.72 2o5j n VAL 39 Ca -0.07 -1.05 -0.07 0.00 -2.04 0.00 0.00 64.34 61.10 2o5j n VAL 39 Cb 0.61 0.46 0.10 0.00 -1.47 0.00 0.00 33.84 33.54 2o5j n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2o5j n LEU 40 N 0.12 -1.97 0.02 1.34 -0.00 -1.26 -5.03 117.00 110.21 2o5j n LEU 40 Ca 0.08 -3.35 -0.20 0.00 -0.00 0.00 0.00 56.01 52.53 2o5j n LEU 40 Cb 0.39 0.43 -0.14 0.00 -0.00 0.00 0.00 43.42 44.10 2o5j n LEU 40 CO 0.05 1.89 -0.18 1.05 -0.00 0.00 0.00 177.39 180.20 2o5j h GLU 41 N 2.28 0.25 0.00 1.47 9.09 -1.89 -3.42 114.58 122.36 2o5j h GLU 41 Ca -0.24 -0.42 0.00 0.00 0.05 0.00 0.00 59.36 58.75 2o5j h GLU 41 Cb 1.22 0.16 0.00 0.00 -1.65 0.00 0.00 28.75 28.48 2o5j h GLU 41 CO -0.01 1.20 0.00 -2.30 0.05 0.00 0.00 179.01 177.95 2o5j n PRO 42 N -4.07 0.00 0.00 1.06 -0.02 -1.26 -4.33 135.00 126.38 2o5j n PRO 42 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 2o5j n PRO 42 Cb 0.84 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.32 2o5j n PRO 42 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2o5j n GLU 43 N 0.00 0.00 -3.67 -0.52 0.28 -1.26 -4.68 120.64 110.79 2o5j n GLU 43 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.62 2o5j n GLU 43 Cb 0.00 -0.99 -0.12 0.00 1.43 0.00 0.00 31.44 31.76 2o5j n GLU 43 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2o5j s GLU 44 N -0.98 3.28 0.32 3.44 2.02 -1.26 -5.06 118.70 120.45 2o5j s GLU 44 Ca 0.00 -0.75 0.06 0.00 0.02 0.00 0.00 54.97 54.30 2o5j s GLU 44 Cb 0.00 -3.54 -0.03 0.00 0.10 0.00 0.00 34.13 30.66 2o5j s GLU 44 CO 0.00 -0.43 0.26 0.50 0.02 0.00 0.00 175.26 175.61 2o5j s ARG 45 N 1.59 1.70 0.46 1.61 3.52 -1.26 -4.87 118.95 121.70 2o5j s ARG 45 Ca 0.04 -1.98 -0.25 0.00 -0.13 0.00 0.00 55.73 53.42 2o5j s ARG 45 Cb -0.17 0.31 -0.08 0.00 -1.56 0.00 0.00 34.95 33.44 2o5j s ARG 45 CO 0.06 -0.62 1.35 -2.30 -0.81 0.00 0.00 175.30 172.97 2o5j n PRO 46 N -0.59 2.01 -3.67 5.12 -0.02 -1.26 -5.03 135.00 131.56 2o5j n PRO 46 Ca 0.07 0.72 -0.14 0.00 -2.02 0.00 0.00 63.50 62.12 2o5j n PRO 46 Cb 0.63 -2.51 -0.08 0.00 -0.02 0.00 0.00 33.50 31.51 2o5j n PRO 46 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2o5j s LYS 47 N -2.42 0.74 0.49 -0.52 1.02 -1.26 -4.00 119.74 113.78 2o5j s LYS 47 Ca 0.63 0.44 0.04 0.00 0.02 0.00 0.00 55.97 57.10 2o5j s LYS 47 Cb -0.47 0.35 -0.02 0.00 -0.52 0.00 0.00 37.83 37.17 2o5j s LYS 47 CO 0.56 -0.16 0.11 1.41 -0.92 0.00 0.00 175.35 176.35 2o5j s MET 48 N -0.39 2.18 -0.04 1.68 1.75 -1.26 -4.84 119.30 118.38 2o5j s MET 48 Ca -0.05 -2.21 0.06 0.00 -1.25 0.00 0.00 55.69 52.24 2o5j s MET 48 Cb -0.03 -1.72 0.09 0.00 2.84 0.00 0.00 34.83 36.01 2o5j s MET 48 CO 0.04 -0.33 0.95 1.04 -0.65 0.00 0.00 175.02 176.07 2o5j n GLN 49 N -1.31 1.31 0.25 4.11 3.00 -1.26 -4.14 117.38 119.34 2o5j n GLN 49 Ca -0.11 -1.55 0.17 0.00 -0.01 0.00 0.00 57.00 55.49 2o5j n GLN 49 Cb 0.66 -0.97 0.75 0.00 0.00 0.00 0.00 30.24 30.68 2o5j n GLN 49 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 2o5j h THR 50 N 1.93 0.00 -1.72 5.09 2.02 -2.00 -3.45 112.91 114.78 2o5j h THR 50 Ca 0.00 -0.31 0.02 0.00 0.77 0.00 0.00 66.41 66.89 2o5j h THR 50 Cb 0.93 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2o5j h THR 50 CO 0.00 0.00 0.08 -0.11 0.37 0.00 0.00 175.52 175.86 2o5j n LEU 51 N -2.84 0.00 -1.22 2.58 0.00 -1.26 -5.03 117.00 109.23 2o5j n LEU 51 Ca 0.00 -0.20 0.06 0.00 0.00 0.00 0.00 56.01 55.87 2o5j n LEU 51 Cb 0.22 0.37 0.25 0.00 0.00 0.00 0.00 43.42 44.26 2o5j n LEU 51 CO 0.23 -0.07 0.68 -0.62 0.00 0.00 0.00 177.39 177.61 2o5j n GLU 52 N -0.09 3.00 0.00 1.96 -0.58 -1.26 -4.62 120.64 119.05 2o5j n GLU 52 Ca -0.00 -1.98 0.00 0.00 -0.42 0.00 0.00 57.16 54.76 2o5j n GLU 52 Cb 0.08 -1.75 0.00 0.00 -0.57 0.00 0.00 31.44 29.20 2o5j n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2o5j n GLY 53 N 0.80 0.00 0.05 0.62 0.00 -1.26 -3.25 105.19 102.14 2o5j n GLY 53 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 2o5j n GLY 53 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2o5j n LEU 54 N -0.62 0.22 0.09 0.99 0.00 -1.26 -2.42 117.00 113.99 2o5j n LEU 54 Ca 0.00 0.56 0.05 0.00 0.00 0.00 0.00 56.01 56.62 2o5j n LEU 54 Cb 0.00 -0.54 0.29 0.00 0.00 0.00 0.00 43.42 43.17 2o5j n LEU 54 CO 0.00 -0.40 0.67 0.49 0.00 0.00 0.00 177.39 178.15 2o5j n PHE 55 N -1.75 0.36 -0.01 1.96 0.99 -1.20 -3.88 117.46 113.93 2o5j n PHE 55 Ca 0.03 0.19 -0.01 0.00 -0.00 0.00 0.00 57.45 57.65 2o5j n PHE 55 Cb 0.16 -0.77 -0.00 0.00 -1.00 0.00 0.00 39.48 37.87 2o5j n PHE 55 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 2o5j n ASP 56 N -1.86 0.35 -2.72 4.37 9.92 -1.02 -5.02 116.55 120.58 2o5j n ASP 56 Ca -0.01 0.06 -0.02 0.00 -0.53 0.00 0.00 54.79 54.29 2o5j n ASP 56 Cb 0.06 -0.40 0.10 0.00 -0.64 0.00 0.00 41.12 40.24 2o5j n ASP 56 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2o5j n ASP 57 N -2.85 -0.52 0.00 -2.24 9.92 -1.25 -4.94 116.55 114.68 2o5j n ASP 57 Ca -0.02 -2.22 0.00 0.00 -0.53 0.00 0.00 54.79 52.02 2o5j n ASP 57 Cb 0.08 0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 2o5j n ASP 57 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2o5j n PRO 58 N -1.10 0.00 -3.96 -0.24 -0.02 -1.26 -4.85 135.00 123.58 2o5j n PRO 58 Ca -0.08 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.06 2o5j n PRO 58 Cb 0.85 -0.11 -0.10 0.00 -0.02 0.00 0.00 33.50 34.12 2o5j n PRO 58 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2o5j s ASN 59 N -1.35 5.68 0.02 2.55 3.04 -1.26 -5.02 114.94 118.59 2o5j s ASN 59 Ca 0.00 0.08 -0.16 0.00 0.04 0.00 0.00 52.86 52.82 2o5j s ASN 59 Cb 0.00 -1.98 -0.09 0.00 -1.54 0.00 0.00 41.25 37.64 2o5j s ASN 59 CO 0.00 0.16 1.05 0.00 -3.04 0.00 0.00 177.10 175.28 2o5j h ALA 60 N 6.78 -0.97 0.00 1.71 0.00 -1.91 -3.26 119.26 121.61 2o5j h ALA 60 Ca -0.37 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 2o5j h ALA 60 Cb 1.17 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 2o5j h ALA 60 CO 0.70 -0.93 -0.00 -0.39 0.00 0.00 0.00 179.25 178.63 2o5j h VAL 61 N -0.68 0.83 -0.64 0.00 -1.51 -1.88 -0.90 116.25 111.46 2o5j h VAL 61 Ca -0.06 -0.01 0.17 0.00 -1.23 0.00 0.00 66.70 65.57 2o5j h VAL 61 Cb 0.45 1.01 -0.03 0.00 -2.13 0.00 0.00 31.29 30.58 2o5j h VAL 61 CO 0.10 0.00 0.45 0.74 -1.23 0.00 0.00 177.57 177.63 2o5j h THR 62 N 0.00 0.72 0.03 7.19 2.02 -1.97 -0.35 112.91 120.55 2o5j h THR 62 Ca -0.00 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 2o5j h THR 62 Cb 0.01 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 2o5j h THR 62 CO 0.00 0.02 -0.02 -0.50 0.37 0.00 0.00 175.52 175.39 2o5j h TRP 63 N 0.10 -0.04 -0.90 3.16 4.06 -1.26 -3.02 115.95 118.04 2o5j h TRP 63 Ca 0.31 -0.00 0.19 0.00 2.06 0.00 0.00 58.89 61.45 2o5j h TRP 63 Cb 1.09 0.01 -0.17 0.00 -1.00 0.00 0.00 29.16 29.10 2o5j h TRP 63 CO -0.00 0.49 -0.16 0.00 -3.56 0.00 0.00 178.44 175.20 2o5j h ALA 64 N -0.42 0.70 -0.47 1.49 0.00 -1.06 0.55 119.26 120.05 2o5j h ALA 64 Ca -0.00 0.34 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 2o5j h ALA 64 Cb 0.55 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2o5j h ALA 64 CO 0.01 -0.42 0.04 0.52 0.00 0.00 0.00 179.25 179.40 2o5j h MET 65 N 0.01 0.81 0.00 0.00 2.86 -1.25 0.90 114.93 118.26 2o5j h MET 65 Ca 0.46 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.84 2o5j h MET 65 Cb 0.75 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 2o5j h MET 65 CO -0.90 0.84 -0.10 -0.22 1.06 0.00 0.00 176.91 177.59 2o5j h LYS 66 N 0.67 0.00 0.02 1.72 3.64 0.03 -0.78 116.57 121.87 2o5j h LYS 66 Ca 0.14 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.34 2o5j h LYS 66 Cb 0.44 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2o5j h LYS 66 CO 0.02 0.10 -0.95 0.93 -2.27 0.00 0.00 179.45 177.27 2o5j h GLU 67 N 0.00 0.05 -0.06 1.90 5.08 -0.05 -3.34 114.58 118.15 2o5j h GLU 67 Ca -0.00 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2o5j h GLU 67 Cb 0.24 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2o5j h GLU 67 CO 0.01 1.04 0.06 -0.07 -1.00 0.00 0.00 179.01 179.05 2o5j h LEU 68 N -0.86 0.00 -1.53 1.33 4.07 -0.70 0.25 115.31 117.85 2o5j h LEU 68 Ca -0.25 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.67 2o5j h LEU 68 Cb 1.31 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.04 2o5j h LEU 68 CO -0.10 0.00 -0.22 -0.07 -1.08 0.00 0.00 178.44 176.97 2o5j h LEU 69 N 0.00 0.00-10.48 1.67 3.38 -1.27 -3.42 115.31 105.19 2o5j h LEU 69 Ca 0.03 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.53 2o5j h LEU 69 Cb 0.14 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.96 2o5j h LEU 69 CO -0.00 0.22 0.18 -0.89 0.09 0.00 0.00 178.44 178.04 2o5j s THR 70 N -4.07 3.13 -0.54 0.22 2.01 0.86 -5.00 115.64 112.26 2o5j s THR 70 Ca -0.02 -0.13 -0.01 0.00 0.31 0.00 0.00 61.69 61.84 2o5j s THR 70 Cb 0.13 -3.27 0.42 0.00 0.01 0.00 0.00 72.50 69.78 2o5j s THR 70 CO 0.64 -0.28 1.99 0.61 -0.69 0.00 0.00 174.62 176.89 2o5j n GLY 71 N -2.68 5.15 0.11 4.40 0.00 -1.26 -4.51 105.19 106.39 2o5j n GLY 71 Ca 0.06 -1.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.08 2o5j n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2o5j n ARG 72 N -0.62 0.59 -1.59 1.61 5.12 -1.26 -4.98 116.66 115.53 2o5j n ARG 72 Ca 0.53 0.53 -0.30 0.00 -1.93 0.00 0.00 57.85 56.69 2o5j n ARG 72 Cb 0.79 -1.74 0.09 0.00 -1.16 0.00 0.00 32.46 30.44 2o5j n ARG 72 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2o5j s LEU 73 N -7.77 2.62 -0.05 0.55 1.02 -1.26 -5.08 118.68 108.72 2o5j s LEU 73 Ca -0.28 1.28 -0.00 0.00 0.02 0.00 0.00 54.13 55.15 2o5j s LEU 73 Cb 0.06 -3.91 0.03 0.00 0.02 0.00 0.00 46.19 42.39 2o5j s LEU 73 CO 0.61 -1.92 -0.01 -0.69 0.02 0.00 0.00 176.35 174.37 2o5j s VAL 74 N -3.18 0.30 -0.13 -1.59 1.01 -1.26 -5.07 120.40 110.49 2o5j s VAL 74 Ca 0.61 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.68 2o5j s VAL 74 Cb -0.14 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 35.84 2o5j s VAL 74 CO 0.54 0.20 -0.19 0.72 0.00 0.00 0.00 175.10 176.37 2o5j s PHE 75 N 1.38 2.38 0.23 5.22 -0.12 -1.26 -5.08 117.98 120.73 2o5j s PHE 75 Ca -0.04 -1.18 0.01 0.00 -0.05 0.00 0.00 56.93 55.67 2o5j s PHE 75 Cb -0.13 -1.65 -0.04 0.00 -0.63 0.00 0.00 43.02 40.57 2o5j s PHE 75 CO -0.02 -0.56 0.17 0.20 -0.05 0.00 0.00 175.22 174.96 2o5j s GLY 76 N 0.90 1.66 0.15 1.99 0.00 -1.26 -5.05 107.32 105.72 2o5j s GLY 76 Ca -0.07 -1.79 -0.10 0.00 0.00 0.00 0.00 44.72 42.77 2o5j s GLY 76 CO -0.02 -1.41 1.50 -2.09 0.00 0.00 0.00 173.10 171.08 2o5j h GLU 77 N 2.49 0.92 -1.46 2.90 4.22 -2.04 -3.39 114.58 118.22 2o5j h GLU 77 Ca -0.33 -0.47 -0.26 0.00 0.08 0.00 0.00 59.36 58.38 2o5j h GLU 77 Cb 1.25 0.01 -0.24 0.00 0.50 0.00 0.00 28.75 30.27 2o5j h GLU 77 CO 0.49 1.12 -0.62 1.21 -2.18 0.00 0.00 179.01 179.03 2o5j s ASN 78 N -6.83 -0.38 -0.13 1.04 3.84 -1.26 -5.02 114.94 106.20 2o5j s ASN 78 Ca -0.11 -1.80 -0.08 0.00 0.21 0.00 0.00 52.86 51.09 2o5j s ASN 78 Cb 0.11 1.19 -0.05 0.00 -0.55 0.00 0.00 41.25 41.95 2o5j s ASN 78 CO 0.88 -0.14 0.01 0.25 -2.79 0.00 0.00 177.10 175.31 2o5j h LEU 79 N 5.90 0.00 -7.92 3.21 5.85 -1.98 -3.47 115.31 116.90 2o5j h LEU 79 Ca 0.10 -0.12 -0.50 0.00 0.84 0.00 0.00 57.88 58.20 2o5j h LEU 79 Cb 1.07 0.00 -0.34 0.00 0.37 0.00 0.00 40.66 41.77 2o5j h LEU 79 CO 0.13 0.73 -0.81 -0.69 -0.34 0.00 0.00 178.44 177.46 2o5j s VAL 80 N -1.95 1.02 -0.45 1.05 1.01 -1.26 -5.09 120.40 114.72 2o5j s VAL 80 Ca -0.10 -0.40 -0.41 0.00 0.00 0.00 0.00 61.98 61.06 2o5j s VAL 80 Cb 0.01 -0.95 -0.18 0.00 0.00 0.00 0.00 36.38 35.26 2o5j s VAL 80 CO 0.19 0.33 1.62 -2.65 0.00 0.00 0.00 175.10 174.59 2o5j n PRO 81 N 3.92 0.00 -0.03 2.72 -0.02 -1.26 -4.81 135.00 135.51 2o5j n PRO 81 Ca -0.23 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.25 2o5j n PRO 81 Cb 0.51 -1.35 -0.00 0.00 -0.02 0.00 0.00 33.50 32.64 2o5j n PRO 81 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2o5j n GLU 82 N 4.76 -0.03 -0.00 -0.52 -0.58 -1.26 -1.77 120.64 121.24 2o5j n GLU 82 Ca 0.36 0.11 -0.18 0.00 -0.42 0.00 0.00 57.16 57.03 2o5j n GLU 82 Cb -0.05 -0.17 -0.14 0.00 -0.57 0.00 0.00 31.44 30.51 2o5j n GLU 82 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2o5j n ASP 83 N -4.10 1.78 0.29 1.62 4.64 -1.26 -4.13 116.55 115.39 2o5j n ASP 83 Ca 0.00 0.27 0.20 0.00 -1.38 0.00 0.00 54.79 53.88 2o5j n ASP 83 Cb 0.02 -0.65 1.01 0.00 -1.04 0.00 0.00 41.12 40.46 2o5j n ASP 83 CO 0.00 0.00 0.00 -0.09 -0.82 0.00 0.00 177.20 176.29 2o5j h ARG 84 N 0.05 0.00 -0.04 -0.67 2.43 -1.71 -2.79 114.38 111.65 2o5j h ARG 84 Ca -0.38 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.75 2o5j h ARG 84 Cb 2.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.58 2o5j h ARG 84 CO 0.09 0.00 -0.11 1.25 -1.51 0.00 0.00 179.97 179.69 2o5j h LEU 85 N 0.00 0.16 -2.06 3.80 6.46 -1.69 -2.85 115.31 119.13 2o5j h LEU 85 Ca 0.00 -0.61 -0.02 0.00 -0.12 0.00 0.00 57.88 57.13 2o5j h LEU 85 Cb 0.09 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 39.97 2o5j h LEU 85 CO 0.00 0.74 -0.08 0.06 -0.62 0.00 0.00 178.44 178.53 2o5j h GLN 86 N -0.42 0.00 0.14 1.25 3.07 -1.71 -1.97 115.11 115.48 2o5j h GLN 86 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 2o5j h GLN 86 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.28 2o5j h GLN 86 CO 0.02 0.08 -0.07 -0.22 0.09 0.00 0.00 178.83 178.74 2o5j h LYS 87 N 0.00 -0.18 0.00 0.06 3.64 -1.54 -3.02 116.57 115.53 2o5j h LYS 87 Ca -0.00 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 2o5j h LYS 87 Cb 0.20 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2o5j h LYS 87 CO 0.01 0.27 -0.34 0.93 -2.27 0.00 0.00 179.45 178.05 2o5j h GLU 88 N -0.81 0.00 -0.32 1.90 5.08 -1.36 -2.82 114.58 116.25 2o5j h GLU 88 Ca -0.02 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2o5j h GLU 88 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2o5j h GLU 88 CO 0.03 0.34 -0.15 1.98 -1.00 0.00 0.00 179.01 180.22 2o5j h MET 89 N 0.00 0.67 0.00 2.33 4.05 -1.44 -2.68 114.93 117.87 2o5j h MET 89 Ca -0.00 -0.29 -0.07 0.00 -0.28 0.00 0.00 59.70 59.05 2o5j h MET 89 Cb 0.62 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.39 2o5j h MET 89 CO 0.04 0.88 -0.34 0.93 0.23 0.00 0.00 176.91 178.65 2o5j h GLU 90 N 0.44 0.00 -0.14 0.39 5.08 -1.46 -1.79 114.58 117.10 2o5j h GLU 90 Ca 0.07 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 2o5j h GLU 90 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2o5j h GLU 90 CO 0.05 0.34 -0.55 -0.09 -1.00 0.00 0.00 179.01 177.76 2o5j h ARG 91 N 0.00 0.41 0.00 2.33 1.12 -1.31 -3.34 114.38 113.59 2o5j h ARG 91 Ca -0.00 -0.25 0.00 0.00 -1.11 0.00 0.00 59.98 58.61 2o5j h ARG 91 Cb 0.72 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.71 2o5j h ARG 91 CO 0.04 0.85 -1.31 1.28 -3.11 0.00 0.00 179.97 177.72 2o5j n LEU 92 N -3.94 0.45 -4.24 3.80 4.77 -1.03 -4.94 117.00 111.87 2o5j n LEU 92 Ca -0.03 -0.27 -0.35 0.00 -0.03 0.00 0.00 56.01 55.34 2o5j n LEU 92 Cb 0.59 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.54 2o5j n LEU 92 CO 0.45 0.11 -0.36 -0.31 -1.33 0.00 0.00 177.39 175.95 2o5j s TYR 93 N -2.96 3.10 0.67 -1.77 4.12 -0.68 -5.07 117.35 114.75 2o5j s TYR 93 Ca 0.00 -1.40 0.42 0.00 0.02 0.00 0.00 57.07 56.11 2o5j s TYR 93 Cb 0.13 -2.12 2.26 0.00 -1.52 0.00 0.00 41.96 40.71 2o5j s TYR 93 CO 0.75 -0.69 2.28 -1.35 0.02 0.00 0.00 175.55 176.56 2o5j h PRO 94 N 8.08 0.00 0.00 -1.71 0.11 -1.87 -3.43 132.00 133.17 2o5j h PRO 94 Ca -0.31 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.64 2o5j h PRO 94 Cb 1.11 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2o5j h PRO 94 CO 0.58 0.00 -1.30 0.28 -0.21 0.00 0.00 178.00 177.34 2o5j h VAL 95 N 0.00 0.52 0.00 3.15 2.07 -1.95 -3.52 116.25 116.53 2o5j h VAL 95 Ca 0.00 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.53 2o5j h VAL 95 Cb 0.14 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2o5j h VAL 95 CO -0.00 0.30 0.00 -0.62 0.02 0.00 0.00 177.57 177.27