#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fwg n GLU 2 N 0.00 -3.00 -2.17 0.03 4.71 -1.26 -4.89 120.64 114.06 1fwg n GLU 2 Ca 0.00 0.51 -0.42 0.00 -0.01 0.00 0.00 57.16 57.24 1fwg n GLU 2 Cb 0.00 -4.65 -0.03 0.00 -1.01 0.00 0.00 31.44 25.75 1fwg n GLU 2 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1fwg s LEU 3 N -6.62 4.33 0.73 -4.62 1.43 -1.26 -5.02 118.68 107.65 1fwg s LEU 3 Ca 0.19 2.18 -0.11 0.00 -1.03 0.00 0.00 54.13 55.36 1fwg s LEU 3 Cb -0.06 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.63 1fwg s LEU 3 CO 0.85 -0.74 1.11 0.42 0.23 0.00 0.00 176.35 178.21 1fwg s THR 4 N 2.39 3.00 0.25 5.49 -4.23 -1.26 -4.89 115.64 116.40 1fwg s THR 4 Ca 0.65 0.28 -0.03 0.00 -1.18 0.00 0.00 61.69 61.42 1fwg s THR 4 Cb -0.33 -3.32 0.23 0.00 1.34 0.00 0.00 72.50 70.42 1fwg s THR 4 CO 0.28 -0.41 1.81 -0.65 -0.54 0.00 0.00 174.62 175.11 1fwg h PRO 5 N -0.75 0.78 -0.28 3.99 0.11 -2.00 -2.27 132.00 131.59 1fwg h PRO 5 Ca -0.45 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1fwg h PRO 5 Cb 1.28 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1fwg h PRO 5 CO 0.64 0.52 0.01 0.07 -0.21 0.00 0.00 178.00 179.03 1fwg h ARG 6 N 0.81 0.41 -0.34 1.05 0.11 -1.99 -0.20 114.38 114.23 1fwg h ARG 6 Ca 0.42 -0.07 -0.15 0.00 0.10 0.00 0.00 59.98 60.28 1fwg h ARG 6 Cb 0.42 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 31.43 1fwg h ARG 6 CO -0.26 0.44 -0.37 0.93 0.10 0.00 0.00 179.97 180.80 1fwg h GLU 7 N 0.40 0.86 -0.15 0.08 5.08 -1.80 -1.90 114.58 117.15 1fwg h GLU 7 Ca 0.09 -0.46 -0.11 0.00 -1.00 0.00 0.00 59.36 57.88 1fwg h GLU 7 Cb 0.26 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1fwg h GLU 7 CO 0.01 1.11 -0.38 0.87 -1.00 0.00 0.00 179.01 179.62 1fwg h LYS 8 N 0.65 0.33 -0.42 2.33 1.57 -1.08 -2.66 116.57 117.29 1fwg h LYS 8 Ca 0.05 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1fwg h LYS 8 Cb 0.97 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1fwg h LYS 8 CO 0.09 0.66 0.03 0.22 -0.57 0.00 0.00 179.45 179.89 1fwg h ASP 9 N 0.28 0.70 0.32 0.86 -0.00 -0.83 -2.40 116.42 115.36 1fwg h ASP 9 Ca 0.03 -0.29 -0.02 0.00 -0.00 0.00 0.00 57.03 56.76 1fwg h ASP 9 Cb 0.79 -0.19 -0.00 0.00 -0.00 0.00 0.00 39.33 39.93 1fwg h ASP 9 CO 0.06 0.81 -0.08 0.11 -0.00 0.00 0.00 179.24 180.15 1fwg h LYS 10 N 0.57 0.00 -0.03 0.28 1.79 -1.15 -0.93 116.57 117.10 1fwg h LYS 10 Ca 0.12 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.53 1fwg h LYS 10 Cb 0.43 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1fwg h LYS 10 CO 0.02 0.08 -0.29 -0.07 -1.08 0.00 0.00 179.45 178.10 1fwg h LEU 11 N 0.00 0.06 -0.41 2.94 3.38 -1.09 -1.07 115.31 119.12 1fwg h LEU 11 Ca -0.00 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1fwg h LEU 11 Cb 0.26 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1fwg h LEU 11 CO 0.01 0.35 -0.14 0.25 0.09 0.00 0.00 178.44 179.00 1fwg h LEU 12 N 0.05 0.84 -0.30 1.67 6.46 -1.15 -2.11 115.31 120.77 1fwg h LEU 12 Ca 0.01 -0.38 -0.04 0.00 -0.12 0.00 0.00 57.88 57.34 1fwg h LEU 12 Cb 0.54 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 1fwg h LEU 12 CO 0.04 1.02 0.01 0.25 -0.62 0.00 0.00 178.44 179.15 1fwg h LEU 13 N 0.64 0.50 -0.34 2.25 5.85 -1.32 -1.36 115.31 121.54 1fwg h LEU 13 Ca 0.10 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.57 1fwg h LEU 13 Cb 0.68 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1fwg h LEU 13 CO 0.05 0.68 0.07 0.15 -0.34 0.00 0.00 178.44 179.04 1fwg h PHE 14 N 0.32 0.12 -0.73 1.25 3.57 -1.20 -1.03 116.94 119.23 1fwg h PHE 14 Ca 0.09 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 1fwg h PHE 14 Cb 0.41 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 1fwg h PHE 14 CO 0.03 0.02 0.27 1.15 -2.23 0.00 0.00 178.31 177.55 1fwg h THR 15 N 0.19 1.25 -0.75 4.41 2.02 -1.25 -1.65 112.91 117.14 1fwg h THR 15 Ca 0.16 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 1fwg h THR 15 Cb 0.17 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 1fwg h THR 15 CO -0.20 0.33 0.38 0.00 0.37 0.00 0.00 175.52 176.40 1fwg h ALA 16 N 1.21 1.27 -0.00 6.16 0.00 -0.68 -1.89 119.26 125.32 1fwg h ALA 16 Ca 0.24 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1fwg h ALA 16 Cb 0.24 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1fwg h ALA 16 CO -0.02 0.58 -0.41 0.00 0.00 0.00 0.00 179.25 179.40 1fwg h ALA 17 N 1.37 1.32 -0.57 0.00 0.00 -0.47 -2.66 119.26 118.25 1fwg h ALA 17 Ca 0.26 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1fwg h ALA 17 Cb 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1fwg h ALA 17 CO -0.04 0.52 0.04 -0.07 0.00 0.00 0.00 179.25 179.70 1fwg h LEU 18 N 0.00 0.91 0.09 0.00 3.38 -0.51 -0.55 115.31 118.64 1fwg h LEU 18 Ca -0.00 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1fwg h LEU 18 Cb 0.73 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1fwg h LEU 18 CO 0.05 0.95 -0.04 0.58 0.09 0.00 0.00 178.44 180.07 1fwg h VAL 19 N 0.88 0.94 -0.40 1.22 2.07 -1.20 -2.62 116.25 117.14 1fwg h VAL 19 Ca 0.17 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 1fwg h VAL 19 Cb 0.47 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1fwg h VAL 19 CO 0.02 0.02 0.24 0.00 0.02 0.00 0.00 177.57 177.87 1fwg h ALA 20 N 0.76 0.51 -0.65 1.67 0.00 -1.32 -2.64 119.26 117.58 1fwg h ALA 20 Ca -0.01 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.93 1fwg h ALA 20 Cb 0.13 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 1fwg h ALA 20 CO 0.02 0.01 0.27 1.49 0.00 0.00 0.00 179.25 181.04 1fwg h GLU 21 N 0.52 0.45 -0.18 0.00 4.81 -1.06 0.36 114.58 119.49 1fwg h GLU 21 Ca 0.14 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.24 1fwg h GLU 21 Cb 0.01 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1fwg h GLU 21 CO -0.03 0.30 -0.35 0.00 -0.73 0.00 0.00 179.01 178.20 1fwg h ARG 22 N 0.47 0.38 -0.23 1.92 3.08 -1.28 -2.23 114.38 116.49 1fwg h ARG 22 Ca 0.33 -0.17 -0.20 0.00 0.07 0.00 0.00 59.98 60.01 1fwg h ARG 22 Cb 0.40 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1fwg h ARG 22 CO -0.30 0.69 -0.65 0.00 -1.07 0.00 0.00 179.97 178.63 1fwg h ARG 23 N 0.33 0.84 -0.86 0.04 3.08 -0.93 -2.72 114.38 114.14 1fwg h ARG 23 Ca 0.04 -0.60 -0.03 0.00 0.07 0.00 0.00 59.98 59.47 1fwg h ARG 23 Cb 0.77 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.88 1fwg h ARG 23 CO 0.06 1.22 0.44 1.25 -1.07 0.00 0.00 179.97 181.87 1fwg h LEU 24 N 0.61 1.10 -1.70 3.04 5.85 -0.89 -1.80 115.31 121.53 1fwg h LEU 24 Ca -0.02 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1fwg h LEU 24 Cb 1.27 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1fwg h LEU 24 CO 0.14 0.91 0.10 0.00 -0.34 0.00 0.00 178.44 179.25 1fwg h ALA 25 N 1.26 1.77 0.00 1.25 0.00 -1.27 -0.18 119.26 122.09 1fwg h ALA 25 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1fwg h ALA 25 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1fwg h ALA 25 CO -0.04 0.19 0.00 0.54 0.00 0.00 0.00 179.25 179.94 1fwg n ARG 26 N -4.46 0.14 -0.22 0.00 1.74 -0.71 -4.91 116.66 108.24 1fwg n ARG 26 Ca 0.00 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 1fwg n ARG 26 Cb 0.11 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 1fwg n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fwg n GLY 27 N 0.99 0.87 3.87 -0.13 0.00 -0.08 -5.08 105.19 105.62 1fwg n GLY 27 Ca 0.05 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1fwg n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fwg s LEU 28 N 0.00 3.74 -0.26 0.99 1.43 -1.00 -5.03 118.68 118.56 1fwg s LEU 28 Ca 0.00 1.26 -0.21 0.00 -1.03 0.00 0.00 54.13 54.15 1fwg s LEU 28 Cb 0.00 -4.17 -0.02 0.00 0.03 0.00 0.00 46.19 42.03 1fwg s LEU 28 CO 0.00 -0.48 0.65 -0.54 0.23 0.00 0.00 176.35 176.21 1fwg s LYS 29 N -3.99 4.10 0.64 1.70 1.02 -1.26 -4.58 119.74 117.37 1fwg s LYS 29 Ca 0.53 0.57 -0.17 0.00 0.02 0.00 0.00 55.97 56.92 1fwg s LYS 29 Cb -0.10 -3.65 -0.01 0.00 -0.52 0.00 0.00 37.83 33.55 1fwg s LYS 29 CO 0.33 -0.43 1.16 -0.51 -0.92 0.00 0.00 175.35 174.98 1fwg s LEU 30 N 2.54 3.49 0.00 3.17 1.43 -0.20 -4.37 118.68 124.73 1fwg s LEU 30 Ca 0.27 2.21 0.03 0.00 -1.03 0.00 0.00 54.13 55.60 1fwg s LEU 30 Cb -0.15 -4.58 0.04 0.00 0.03 0.00 0.00 46.19 41.53 1fwg s LEU 30 CO 0.09 -1.71 0.31 -0.46 0.23 0.00 0.00 176.35 174.81 1fwg n ASN 31 N -2.12 0.71 0.36 2.29 0.23 -1.26 -0.91 115.26 114.56 1fwg n ASN 31 Ca 0.12 -1.53 -0.19 0.00 -0.53 0.00 0.00 54.58 52.45 1fwg n ASN 31 Cb 0.51 -0.18 -0.10 0.00 -2.08 0.00 0.00 39.78 37.94 1fwg n ASN 31 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1fwg h TYR 32 N -0.09 -1.27 -0.38 -2.53 3.20 -1.96 -1.64 116.97 112.30 1fwg h TYR 32 Ca -0.10 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.71 1fwg h TYR 32 Cb 0.46 0.47 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 1fwg h TYR 32 CO 0.00 -0.68 0.04 -1.00 -1.64 0.00 0.00 178.16 174.88 1fwg h PRO 33 N -1.08 0.59 -0.58 1.82 0.13 -2.00 -2.35 132.00 128.53 1fwg h PRO 33 Ca -0.08 -0.12 -0.04 0.00 -0.87 0.00 0.00 66.00 64.89 1fwg h PRO 33 Cb 0.89 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.91 1fwg h PRO 33 CO 0.04 0.59 0.22 0.93 -0.23 0.00 0.00 178.00 179.55 1fwg h GLU 34 N 0.57 0.87 -0.30 0.86 5.08 -1.92 -1.85 114.58 117.90 1fwg h GLU 34 Ca 0.12 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1fwg h GLU 34 Cb 0.30 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1fwg h GLU 34 CO 0.01 0.75 0.10 0.77 -1.00 0.00 0.00 179.01 179.64 1fwg h SER 35 N 0.80 0.43 -0.48 1.42 0.02 -1.00 -1.74 113.55 113.01 1fwg h SER 35 Ca 0.19 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1fwg h SER 35 Cb 0.21 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1fwg h SER 35 CO -0.01 0.51 0.26 0.58 -1.14 0.00 0.00 176.83 177.02 1fwg h VAL 36 N 0.33 1.17 -0.41 2.27 2.07 -1.32 -2.37 116.25 117.99 1fwg h VAL 36 Ca 0.10 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1fwg h VAL 36 Cb 0.22 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1fwg h VAL 36 CO -0.00 0.18 0.17 0.00 0.02 0.00 0.00 177.57 177.94 1fwg h ALA 37 N 1.10 0.53 -0.05 1.67 0.00 -1.26 -1.65 119.26 119.60 1fwg h ALA 37 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1fwg h ALA 37 Cb 0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1fwg h ALA 37 CO -0.03 0.13 0.03 1.25 0.00 0.00 0.00 179.25 180.63 1fwg h LEU 38 N 0.52 0.06 -0.46 0.00 5.85 -1.16 -0.29 115.31 119.83 1fwg h LEU 38 Ca 0.14 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 1fwg h LEU 38 Cb 0.17 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1fwg h LEU 38 CO -0.01 0.07 -0.15 0.40 -0.34 0.00 0.00 178.44 178.40 1fwg h ILE 39 N 0.05 1.27 -0.13 4.05 2.04 -1.44 -2.46 117.51 120.89 1fwg h ILE 39 Ca 0.02 -1.30 0.01 0.00 1.00 0.00 0.00 64.86 64.59 1fwg h ILE 39 Cb 0.02 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1fwg h ILE 39 CO -0.00 0.44 0.04 0.28 0.00 0.00 0.00 178.15 178.92 1fwg h SER 40 N 0.76 0.05 -0.30 1.72 0.02 -1.13 -2.35 113.55 112.32 1fwg h SER 40 Ca 0.11 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1fwg h SER 40 Cb 0.72 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 1fwg h SER 40 CO 0.05 0.05 0.12 0.00 -1.14 0.00 0.00 176.83 175.92 1fwg h ALA 41 N 1.08 1.55 -0.32 3.77 0.00 -1.02 -2.27 119.26 122.04 1fwg h ALA 41 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1fwg h ALA 41 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1fwg h ALA 41 CO -0.05 0.35 0.21 0.35 0.00 0.00 0.00 179.25 180.11 1fwg h PHE 42 N 0.51 0.40 -0.62 0.00 3.57 -0.94 -2.57 116.94 117.29 1fwg h PHE 42 Ca 0.12 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1fwg h PHE 42 Cb 0.14 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 1fwg h PHE 42 CO 0.01 0.25 0.25 0.82 -2.23 0.00 0.00 178.31 177.41 1fwg h ILE 43 N 0.43 1.23 -0.71 1.41 2.04 -0.95 -1.28 117.51 119.68 1fwg h ILE 43 Ca 0.12 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1fwg h ILE 43 Cb -0.05 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1fwg h ILE 43 CO -0.03 0.28 0.41 0.24 0.00 0.00 0.00 178.15 179.06 1fwg h MET 44 N 0.87 0.96 -0.05 2.37 2.86 -1.24 -0.48 114.93 120.22 1fwg h MET 44 Ca 0.21 -0.09 -0.15 0.00 -2.06 0.00 0.00 59.70 57.62 1fwg h MET 44 Cb 0.20 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1fwg h MET 44 CO -0.02 0.68 -0.63 0.93 1.06 0.00 0.00 176.91 178.94 1fwg h GLU 45 N 0.98 0.17 -0.43 1.72 4.39 -1.17 -2.10 114.58 118.14 1fwg h GLU 45 Ca 0.25 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1fwg h GLU 45 Cb -0.02 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1fwg h GLU 45 CO -0.05 0.74 0.27 0.78 -1.16 0.00 0.00 179.01 179.60 1fwg h GLY 46 N 1.60 0.62 1.29 -3.84 0.00 0.05 -1.49 103.07 101.29 1fwg h GLY 46 Ca -0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 1fwg h GLY 46 CO 0.09 0.24 0.08 0.00 0.00 0.00 0.00 176.54 176.95 1fwg h ALA 47 N 1.14 1.11 -0.33 3.60 0.00 -0.99 -2.28 119.26 121.51 1fwg h ALA 47 Ca 0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1fwg h ALA 47 Cb -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1fwg h ALA 47 CO -0.03 0.58 0.02 -0.09 0.00 0.00 0.00 179.25 179.74 1fwg h ARG 48 N 0.83 0.50 0.00 0.00 9.65 -0.89 -1.74 114.38 122.73 1fwg h ARG 48 Ca 0.17 -0.10 -0.03 0.00 -1.10 0.00 0.00 59.98 58.93 1fwg h ARG 48 Cb 0.38 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.88 1fwg h ARG 48 CO 0.01 0.51 -0.12 -0.44 2.80 0.00 0.00 179.97 182.73 1fwg h ASP 49 N 0.49 0.00 0.00 -3.80 3.32 -0.78 -3.47 116.42 112.17 1fwg h ASP 49 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1fwg h ASP 49 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1fwg h ASP 49 CO 0.01 0.12 0.00 0.61 -1.72 0.00 0.00 179.24 178.26 1fwg n GLY 50 N 0.21 1.03 3.77 2.75 0.00 -0.66 -5.08 105.19 107.21 1fwg n GLY 50 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1fwg n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fwg s LYS 51 N -0.59 3.05 0.68 1.61 1.02 -0.90 -4.94 119.74 119.67 1fwg s LYS 51 Ca 0.00 1.48 -0.11 0.00 0.02 0.00 0.00 55.97 57.36 1fwg s LYS 51 Cb 0.00 -1.98 -0.00 0.00 -0.52 0.00 0.00 37.83 35.33 1fwg s LYS 51 CO 0.00 -1.07 1.07 -1.54 -0.92 0.00 0.00 175.35 172.89 1fwg s SER 52 N -2.24 5.69 0.19 2.83 1.04 -1.26 -4.63 113.70 115.31 1fwg s SER 52 Ca 0.69 1.31 -0.12 0.00 0.48 0.00 0.00 55.95 58.31 1fwg s SER 52 Cb -0.22 -2.22 0.12 0.00 0.10 0.00 0.00 66.02 63.81 1fwg s SER 52 CO 0.35 -1.20 1.85 0.58 0.98 0.00 0.00 173.24 175.79 1fwg h VAL 53 N -0.56 1.13 -0.58 5.02 2.07 -1.96 -2.45 116.25 118.92 1fwg h VAL 53 Ca -0.45 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 66.85 1fwg h VAL 53 Cb 1.22 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1fwg h VAL 53 CO 0.62 0.15 0.30 0.00 0.02 0.00 0.00 177.57 178.66 1fwg h ALA 54 N 1.24 0.76 -0.31 1.67 0.00 -1.98 -1.08 119.26 119.56 1fwg h ALA 54 Ca 0.24 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1fwg h ALA 54 Cb -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1fwg h ALA 54 CO -0.07 -0.04 0.03 0.77 0.00 0.00 0.00 179.25 179.94 1fwg h SER 55 N 0.57 0.51 -0.39 0.00 0.02 -1.89 -3.10 113.55 109.26 1fwg h SER 55 Ca 0.26 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 1fwg h SER 55 Cb 0.17 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1fwg h SER 55 CO -0.18 0.66 0.08 -0.07 -1.14 0.00 0.00 176.83 176.18 1fwg h LEU 56 N 0.34 0.68 -2.22 5.07 3.38 -1.12 0.33 115.31 121.76 1fwg h LEU 56 Ca 0.09 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1fwg h LEU 56 Cb 0.38 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1fwg h LEU 56 CO 0.01 0.70 0.13 0.24 0.09 0.00 0.00 178.44 179.61 1fwg h MET 57 N 0.70 0.00 0.00 1.13 2.86 -1.12 -0.12 114.93 118.37 1fwg h MET 57 Ca 0.15 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.60 1fwg h MET 57 Cb 0.32 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 1fwg h MET 57 CO 0.00 0.00 -1.24 -1.91 1.06 0.00 0.00 176.91 174.83 1fwg n GLU 58 N -4.01 0.54 -0.11 1.72 4.07 -0.76 -4.41 120.64 117.68 1fwg n GLU 58 Ca 0.00 0.49 0.14 0.00 -0.06 0.00 0.00 57.16 57.74 1fwg n GLU 58 Cb 0.25 -1.67 0.52 0.00 -0.06 0.00 0.00 31.44 30.48 1fwg n GLU 58 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1fwg h GLU 59 N -1.00 0.37 0.00 5.31 5.08 -0.72 -1.27 114.58 122.35 1fwg h GLU 59 Ca -0.29 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1fwg h GLU 59 Cb 1.12 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1fwg h GLU 59 CO -0.17 0.24 -0.01 0.78 -1.00 0.00 0.00 179.01 178.84 1fwg h GLY 60 N 0.38 0.00 0.36 -3.84 0.00 -1.23 -1.59 103.07 97.15 1fwg h GLY 60 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1fwg h GLY 60 CO -0.09 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.99 1fwg n ARG 61 N -3.21 1.21 -0.20 4.80 1.74 -0.48 -3.63 116.66 116.90 1fwg n ARG 61 Ca -0.02 -0.32 0.08 0.00 -0.77 0.00 0.00 57.85 56.82 1fwg n ARG 61 Cb 0.14 -1.42 0.13 0.00 -1.02 0.00 0.00 32.46 30.30 1fwg n ARG 61 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1fwg n HIS 62 N -0.55 0.00 0.01 -1.55 8.25 -0.60 -4.70 115.22 116.08 1fwg n HIS 62 Ca 0.19 -0.91 -0.20 0.00 -0.26 0.00 0.00 57.72 56.54 1fwg n HIS 62 Cb 0.17 -0.15 -0.14 0.00 1.12 0.00 0.00 29.99 30.99 1fwg n HIS 62 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1fwg h VAL 63 N 1.14 1.25 -4.02 1.59 2.07 -1.67 -3.47 116.25 113.13 1fwg h VAL 63 Ca -0.00 -2.43 -0.39 0.00 0.82 0.00 0.00 66.70 64.70 1fwg h VAL 63 Cb 1.07 2.90 -0.26 0.00 -1.52 0.00 0.00 31.29 33.48 1fwg h VAL 63 CO 0.00 0.67 -0.78 -0.76 0.02 0.00 0.00 177.57 176.73 1fwg s LEU 64 N -7.74 2.12 0.38 2.57 1.43 -1.26 -5.10 118.68 111.07 1fwg s LEU 64 Ca -0.18 -0.34 0.08 0.00 -1.03 0.00 0.00 54.13 52.65 1fwg s LEU 64 Cb 0.03 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.75 1fwg s LEU 64 CO 0.77 0.03 0.26 0.42 0.23 0.00 0.00 176.35 178.05 1fwg s THR 65 N -0.65 2.90 0.57 5.49 -4.23 -1.26 -4.26 115.64 114.20 1fwg s THR 65 Ca 0.01 -1.51 0.25 0.00 -1.18 0.00 0.00 61.69 59.26 1fwg s THR 65 Cb -0.06 -3.03 0.34 0.00 1.34 0.00 0.00 72.50 71.08 1fwg s THR 65 CO 0.00 -0.09 2.15 -0.09 -0.54 0.00 0.00 174.62 176.06 1fwg h ARG 66 N 1.30 0.00 -0.00 3.99 2.43 -1.89 -1.28 114.38 118.93 1fwg h ARG 66 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1fwg h ARG 66 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1fwg h ARG 66 CO 0.61 0.00 -0.03 -0.85 -1.51 0.00 0.00 179.97 178.19 1fwg n GLU 67 N -4.07 0.77 0.00 0.20 0.00 -1.26 -3.32 120.64 112.96 1fwg n GLU 67 Ca -0.00 -0.13 0.08 0.00 0.00 0.00 0.00 57.16 57.11 1fwg n GLU 67 Cb 0.21 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.21 1fwg n GLU 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1fwg n GLN 68 N -1.00 1.34 -4.41 3.44 6.02 -0.48 -4.97 117.38 117.31 1fwg n GLN 68 Ca 0.18 -1.35 -0.21 0.00 -0.01 0.00 0.00 57.00 55.61 1fwg n GLN 68 Cb 0.22 -1.30 -0.10 0.00 1.02 0.00 0.00 30.24 30.07 1fwg n GLN 68 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1fwg s VAL 69 N -1.44 1.66 0.77 5.09 -7.23 -1.21 -1.04 120.40 117.00 1fwg s VAL 69 Ca 0.18 -2.14 -0.11 0.00 -1.81 0.00 0.00 61.98 58.10 1fwg s VAL 69 Cb 0.13 -2.39 0.05 0.00 0.56 0.00 0.00 36.38 34.74 1fwg s VAL 69 CO 0.23 -0.35 1.09 -0.04 -0.31 0.00 0.00 175.10 175.73 1fwg s MET 70 N -3.71 2.27 0.40 4.82 -1.94 -0.09 -4.76 119.30 116.29 1fwg s MET 70 Ca 0.28 1.19 -0.27 0.00 -1.71 0.00 0.00 55.69 55.18 1fwg s MET 70 Cb 0.03 -1.90 -0.10 0.00 2.01 0.00 0.00 34.83 34.87 1fwg s MET 70 CO 0.11 -1.64 1.45 -1.91 -0.01 0.00 0.00 175.02 173.02 1fwg n GLU 71 N -3.47 2.48 0.00 2.03 2.13 -1.26 -2.32 120.64 120.22 1fwg n GLU 71 Ca 0.09 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.78 1fwg n GLU 71 Cb 0.53 -2.62 0.00 0.00 0.27 0.00 0.00 31.44 29.62 1fwg n GLU 71 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1fwg n GLY 72 N 0.53 3.04 0.14 8.31 0.00 -1.26 -4.89 105.19 111.05 1fwg n GLY 72 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 1fwg n GLY 72 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1fwg h VAL 73 N 0.00 1.01 -0.77 1.61 2.07 -1.83 -2.41 116.25 115.93 1fwg h VAL 73 Ca 0.00 -0.11 0.12 0.00 0.82 0.00 0.00 66.70 67.53 1fwg h VAL 73 Cb 0.00 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 1fwg h VAL 73 CO 0.00 0.06 0.51 -0.65 0.02 0.00 0.00 177.57 177.51 1fwg h PRO 74 N 0.33 0.57 0.00 1.57 0.11 -1.90 -0.40 132.00 132.28 1fwg h PRO 74 Ca 0.12 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.17 1fwg h PRO 74 Cb 0.02 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.00 1fwg h PRO 74 CO -0.07 0.38 -0.13 0.93 -0.21 0.00 0.00 178.00 178.89 1fwg h GLU 75 N 0.59 0.00 0.00 1.05 3.07 -1.83 -2.98 114.58 114.48 1fwg h GLU 75 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 1fwg h GLU 75 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1fwg h GLU 75 CO -0.14 0.13 -0.08 -1.33 -1.40 0.00 0.00 179.01 176.19 1fwg n MET 76 N -3.17 0.16 -3.87 2.33 2.81 -0.18 -4.42 117.12 110.77 1fwg n MET 76 Ca 0.02 0.11 -0.28 0.00 -1.81 0.00 0.00 57.70 55.75 1fwg n MET 76 Cb 0.50 -1.67 -0.12 0.00 -0.71 0.00 0.00 33.22 31.22 1fwg n MET 76 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1fwg s ILE 77 N -3.06 2.76 0.29 2.02 1.01 -1.08 -4.92 121.20 118.22 1fwg s ILE 77 Ca 0.11 -4.20 0.31 0.00 0.00 0.00 0.00 60.65 56.87 1fwg s ILE 77 Cb 0.15 -2.82 0.33 0.00 0.01 0.00 0.00 42.46 40.14 1fwg s ILE 77 CO 0.59 -1.02 2.03 1.55 0.00 0.00 0.00 174.94 178.09 1fwg h PRO 78 N 5.40 0.00 -1.98 2.79 0.13 -1.77 -3.40 132.00 133.17 1fwg h PRO 78 Ca 0.15 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.44 1fwg h PRO 78 Cb 0.76 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.72 1fwg h PRO 78 CO 0.70 0.09 0.60 0.16 -0.23 0.00 0.00 178.00 179.32 1fwg s ASP 79 N -5.89 -0.29 -0.02 1.44 1.47 -1.26 -0.30 116.67 111.81 1fwg s ASP 79 Ca -0.01 0.02 0.04 0.00 1.18 0.00 0.00 52.55 53.79 1fwg s ASP 79 Cb 0.11 0.30 -0.01 0.00 -0.34 0.00 0.00 42.92 42.99 1fwg s ASP 79 CO 0.56 -0.48 -0.15 -0.63 0.68 0.00 0.00 175.17 175.15 1fwg s ILE 80 N -2.77 1.23 -0.00 2.11 1.01 -0.24 -4.96 121.20 117.58 1fwg s ILE 80 Ca 0.06 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.10 1fwg s ILE 80 Cb -0.01 -1.04 -0.01 0.00 0.01 0.00 0.00 42.46 41.41 1fwg s ILE 80 CO -0.07 0.35 -0.10 -1.10 0.00 0.00 0.00 174.94 174.02 1fwg s GLN 81 N -0.20 0.83 -0.12 2.79 -0.21 -1.26 -0.75 119.66 120.74 1fwg s GLN 81 Ca 0.03 -0.41 -0.27 0.00 0.02 0.00 0.00 55.36 54.72 1fwg s GLN 81 Cb -0.08 -0.80 0.06 0.00 1.00 0.00 0.00 33.01 33.20 1fwg s GLN 81 CO 0.00 0.22 0.65 0.54 -2.12 0.00 0.00 175.29 174.58 1fwg s VAL 82 N -0.32 0.00 0.10 1.09 0.11 -0.92 -5.00 120.40 115.46 1fwg s VAL 82 Ca 0.03 -0.04 0.07 0.00 -2.93 0.00 0.00 61.98 59.12 1fwg s VAL 82 Cb -0.04 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 1fwg s VAL 82 CO -0.00 -0.02 -0.13 -1.61 -3.33 0.00 0.00 175.10 170.01 1fwg s GLU 83 N -0.67 2.05 0.18 1.54 2.02 -1.26 -1.42 118.70 121.14 1fwg s GLU 83 Ca -0.07 -1.05 -0.15 0.00 0.02 0.00 0.00 54.97 53.71 1fwg s GLU 83 Cb -0.02 -2.25 0.02 0.00 0.10 0.00 0.00 34.13 31.98 1fwg s GLU 83 CO 0.06 0.51 0.44 0.00 0.02 0.00 0.00 175.26 176.29 1fwg s ALA 84 N -1.17 -0.70 -0.57 5.21 0.00 -1.12 -4.96 121.76 118.45 1fwg s ALA 84 Ca 0.20 -0.37 -0.26 0.00 0.00 0.00 0.00 51.96 51.53 1fwg s ALA 84 Cb -0.11 0.83 0.04 0.00 0.00 0.00 0.00 23.12 23.87 1fwg s ALA 84 CO 0.12 -0.74 1.05 0.99 0.00 0.00 0.00 175.76 177.18 1fwg s THR 85 N -3.89 4.21 0.78 0.00 2.01 -1.26 -2.43 115.64 115.07 1fwg s THR 85 Ca 0.10 0.52 -0.08 0.00 0.31 0.00 0.00 61.69 62.54 1fwg s THR 85 Cb 0.01 -4.63 0.11 0.00 0.01 0.00 0.00 72.50 67.99 1fwg s THR 85 CO -0.03 -1.24 1.10 -0.36 -0.69 0.00 0.00 174.62 173.39 1fwg s PHE 86 N 4.42 2.29 0.55 4.92 0.08 0.59 -4.40 117.98 126.43 1fwg s PHE 86 Ca 0.35 0.27 0.23 0.00 0.12 0.00 0.00 56.93 57.90 1fwg s PHE 86 Cb -0.10 -3.42 1.51 0.00 -0.57 0.00 0.00 43.02 40.44 1fwg s PHE 86 CO 0.21 -1.82 2.17 -1.35 -0.10 0.00 0.00 175.22 174.33 1fwg h PRO 87 N -0.89 0.00 -0.93 0.24 0.11 -1.92 -1.66 132.00 126.96 1fwg h PRO 87 Ca -0.43 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.15 1fwg h PRO 87 Cb 1.28 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.11 1fwg h PRO 87 CO 0.50 0.00 0.60 -0.40 -0.21 0.00 0.00 178.00 178.50 1fwg n ASP 88 N -4.22 4.88 0.00 -2.05 3.85 -1.26 -5.06 116.55 112.69 1fwg n ASP 88 Ca -0.01 -3.69 0.00 0.00 -0.71 0.00 0.00 54.79 50.38 1fwg n ASP 88 Cb 0.15 -0.85 0.00 0.00 -1.35 0.00 0.00 41.12 39.08 1fwg n ASP 88 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1fwg n GLY 89 N -1.06 -2.43 3.73 6.12 0.00 -0.62 -4.94 105.19 105.99 1fwg n GLY 89 Ca 0.58 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 1fwg n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fwg s SER 90 N -2.90 6.83 0.04 1.61 0.01 -1.26 -0.30 113.70 117.73 1fwg s SER 90 Ca 0.00 2.41 0.00 0.00 1.31 0.00 0.00 55.95 59.67 1fwg s SER 90 Cb 0.00 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 1fwg s SER 90 CO 0.00 -0.60 -0.04 -0.54 0.41 0.00 0.00 173.24 172.47 1fwg s LYS 91 N 0.36 0.45 -0.20 12.44 -0.14 -1.02 -4.92 119.74 126.70 1fwg s LYS 91 Ca 0.60 -0.84 -0.09 0.00 -1.36 0.00 0.00 55.97 54.28 1fwg s LYS 91 Cb -0.37 0.08 -0.05 0.00 -1.68 0.00 0.00 37.83 35.81 1fwg s LYS 91 CO 0.35 -0.06 0.12 -1.17 -0.76 0.00 0.00 175.35 173.84 1fwg s LEU 92 N -1.98 4.09 -0.18 3.17 2.96 -1.26 -2.79 118.68 122.68 1fwg s LEU 92 Ca -0.07 0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.97 1fwg s LEU 92 Cb -0.04 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 1fwg s LEU 92 CO -0.04 0.15 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.40 1fwg s VAL 93 N 0.51 3.54 -0.19 1.68 1.01 -0.50 -4.99 120.40 121.46 1fwg s VAL 93 Ca 0.07 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1fwg s VAL 93 Cb -0.12 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.70 1fwg s VAL 93 CO -0.00 0.46 -0.14 -0.89 0.00 0.00 0.00 175.10 174.53 1fwg s THR 94 N 0.89 2.60 -0.30 3.92 2.01 -1.26 -2.17 115.64 121.33 1fwg s THR 94 Ca -0.01 -0.76 -0.06 0.00 0.31 0.00 0.00 61.69 61.17 1fwg s THR 94 Cb -0.15 -2.13 0.02 0.00 0.01 0.00 0.00 72.50 70.25 1fwg s THR 94 CO 0.01 0.50 0.07 -0.69 -0.69 0.00 0.00 174.62 173.82 1fwg s VAL 95 N 1.23 3.79 0.09 3.82 1.01 0.07 -4.75 120.40 125.67 1fwg s VAL 95 Ca 0.03 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 1fwg s VAL 95 Cb -0.14 -2.99 -0.07 0.00 0.00 0.00 0.00 36.38 33.19 1fwg s VAL 95 CO -0.07 0.05 0.67 -1.00 0.00 0.00 0.00 175.10 174.75 1fwg s HIS 96 N 1.46 3.82 -1.15 5.22 3.76 -1.26 -1.08 115.29 126.06 1fwg s HIS 96 Ca 0.01 1.42 -0.29 0.00 -0.15 0.00 0.00 55.06 56.05 1fwg s HIS 96 Cb -0.18 -2.64 0.04 0.00 1.11 0.00 0.00 32.58 30.91 1fwg s HIS 96 CO 0.02 0.50 0.69 0.09 -0.85 0.00 0.00 174.74 175.19 1fwg n ASN 97 N 1.90 -4.39 0.27 1.40 3.02 0.58 -4.84 115.26 113.21 1fwg n ASN 97 Ca -0.07 -1.22 0.11 0.00 -0.03 0.00 0.00 54.58 53.36 1fwg n ASN 97 Cb 0.50 -1.87 0.75 0.00 -0.61 0.00 0.00 39.78 38.55 1fwg n ASN 97 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1fwg h PRO 98 N -2.26 0.00 -5.17 3.52 0.13 -1.77 -3.41 132.00 123.04 1fwg h PRO 98 Ca -0.70 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 63.78 1fwg h PRO 98 Cb 1.40 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.27 1fwg h PRO 98 CO 0.49 0.00 -0.73 0.42 -0.23 0.00 0.00 178.00 177.96 1fwg s ILE 99 N -4.90 3.36 0.00 -3.56 1.01 -1.26 -4.36 121.20 111.49 1fwg s ILE 99 Ca -0.05 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1fwg s ILE 99 Cb 0.16 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 40.15 1fwg s ILE 99 CO 0.62 0.47 0.00 2.30 0.00 0.00 0.00 174.94 178.33