#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g0u h SER 2 N 0.00 0.06 -4.20 3.17 4.64 -2.07 -3.47 113.55 111.68 2g0u h SER 2 Ca 0.00 -0.05 -0.49 0.00 -0.47 0.00 0.00 61.79 60.78 2g0u h SER 2 Cb 0.00 -0.02 0.06 0.00 -0.31 0.00 0.00 62.40 62.14 2g0u h SER 2 CO 0.00 0.86 0.38 0.54 -0.87 0.00 0.00 176.83 177.74 2g0u s ASN 3 N -6.81 5.80 0.84 4.97 4.22 -1.26 -5.06 114.94 117.64 2g0u s ASN 3 Ca -0.01 1.81 -0.13 0.00 -2.14 0.00 0.00 52.86 52.39 2g0u s ASN 3 Cb 0.11 -2.53 0.06 0.00 1.28 0.00 0.00 41.25 40.17 2g0u s ASN 3 CO 0.80 -1.15 0.92 -2.65 -2.04 0.00 0.00 177.10 172.98 2g0u n PRO 4 N -2.02 0.02 0.19 3.55 -0.02 -1.26 -4.97 135.00 130.49 2g0u n PRO 4 Ca 0.09 0.07 0.09 0.00 -2.02 0.00 0.00 63.50 61.73 2g0u n PRO 4 Cb 0.53 -2.21 0.12 0.00 -0.02 0.00 0.00 33.50 31.91 2g0u n PRO 4 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2g0u h PRO 5 N -1.09 0.00 -7.09 0.52 0.13 -1.97 -3.39 132.00 119.11 2g0u h PRO 5 Ca -0.45 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.21 2g0u h PRO 5 Cb 1.30 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.45 2g0u h PRO 5 CO 0.42 0.18 0.38 0.95 -0.23 0.00 0.00 178.00 179.70 2g0u s THR 6 N -3.12 3.92 0.32 1.56 -4.23 -1.26 -4.86 115.64 107.97 2g0u s THR 6 Ca 0.06 1.14 0.05 0.00 -1.18 0.00 0.00 61.69 61.76 2g0u s THR 6 Cb 0.06 -3.48 0.30 0.00 1.34 0.00 0.00 72.50 70.72 2g0u s THR 6 CO 0.70 -0.31 1.86 -0.65 -0.54 0.00 0.00 174.62 175.68 2g0u h PRO 7 N 1.44 0.83 0.00 3.99 0.11 -1.93 -0.98 132.00 135.46 2g0u h PRO 7 Ca -0.49 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 2g0u h PRO 7 Cb 1.21 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 2g0u h PRO 7 CO 0.59 0.55 -0.00 1.25 -0.21 0.00 0.00 178.00 180.18 2g0u h LEU 8 N 0.86 0.00 -2.53 2.35 5.85 -1.97 -2.94 115.31 116.92 2g0u h LEU 8 Ca 0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.18 2g0u h LEU 8 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2g0u h LEU 8 CO -0.22 0.00 -0.02 0.18 -0.34 0.00 0.00 178.44 178.04 2g0u n LEU 9 N -3.23 1.53 -0.28 2.25 4.77 -0.44 -4.70 117.00 116.91 2g0u n LEU 9 Ca -0.03 -1.67 0.01 0.00 -0.03 0.00 0.00 56.01 54.29 2g0u n LEU 9 Cb 0.09 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2g0u n LEU 9 CO 0.22 0.41 0.29 0.00 -1.33 0.00 0.00 177.39 176.98 2g0u n ALA 10 N -0.49 1.69 0.30 -1.18 0.00 -0.81 -4.20 120.51 115.81 2g0u n ALA 10 Ca 0.02 -0.96 0.18 0.00 0.00 0.00 0.00 53.44 52.68 2g0u n ALA 10 Cb 0.37 -0.30 0.97 0.00 0.00 0.00 0.00 19.45 20.49 2g0u n ALA 10 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2g0u h ASP 11 N 0.00 0.00 -0.25 0.00 2.03 -1.81 -1.36 116.42 115.04 2g0u h ASP 11 Ca 0.00 0.00 0.04 0.00 -0.73 0.00 0.00 57.03 56.34 2g0u h ASP 11 Cb 1.19 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.68 2g0u h ASP 11 CO 0.00 0.00 0.17 0.22 -1.03 0.00 0.00 179.24 178.60 2g0u h TYR 12 N 0.00 0.15 0.00 4.15 3.20 -1.92 -1.98 116.97 120.58 2g0u h TYR 12 Ca 0.00 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 2g0u h TYR 12 Cb 0.19 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 2g0u h TYR 12 CO 0.00 0.09 -0.37 1.49 -1.64 0.00 0.00 178.16 177.73 2g0u h GLU 13 N 0.16 0.00 0.00 1.82 4.57 -1.67 -3.23 114.58 116.23 2g0u h GLU 13 Ca 0.11 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 2g0u h GLU 13 Cb 0.24 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2g0u h GLU 13 CO -0.02 0.37 -0.07 2.35 -1.18 0.00 0.00 179.01 180.46 2g0u h TRP 14 N 0.00 0.00 -0.38 0.92 -0.00 -1.51 -1.64 115.95 113.34 2g0u h TRP 14 Ca -0.00 0.00 0.11 0.00 -0.00 0.00 0.00 58.89 59.00 2g0u h TRP 14 Cb 0.89 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 30.03 2g0u h TRP 14 CO 0.00 0.07 0.28 0.77 -0.00 0.00 0.00 178.44 179.56 2g0u h SER 15 N 0.00 0.00 -0.20 2.65 0.02 -1.68 -0.22 113.55 114.12 2g0u h SER 15 Ca -0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 2g0u h SER 15 Cb 0.20 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 2g0u h SER 15 CO 0.01 0.00 -0.33 1.23 -1.14 0.00 0.00 176.83 176.60 2g0u h GLY 16 N 0.00 0.64 1.16 -3.77 0.00 -1.53 -1.25 103.07 98.32 2g0u h GLY 16 Ca 0.18 -0.72 -0.10 0.00 0.00 0.00 0.00 47.33 46.69 2g0u h GLY 16 CO -0.00 0.65 -0.04 -0.97 0.00 0.00 0.00 176.54 176.17 2g0u h TYR 17 N 0.26 1.09 -0.82 5.60 0.05 -1.49 -0.87 116.97 120.79 2g0u h TYR 17 Ca 0.02 -0.19 -0.03 0.00 0.05 0.00 0.00 58.73 58.57 2g0u h TYR 17 Cb 0.91 -0.28 -0.04 0.00 1.01 0.00 0.00 36.73 38.33 2g0u h TYR 17 CO 0.09 0.99 0.40 -0.07 -1.05 0.00 0.00 178.16 178.51 2g0u h LEU 18 N 0.90 1.07 -0.68 3.88 3.38 -1.08 -0.65 115.31 122.13 2g0u h LEU 18 Ca 0.16 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2g0u h LEU 18 Cb 0.58 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2g0u h LEU 18 CO 0.03 0.90 0.12 0.74 0.09 0.00 0.00 178.44 180.33 2g0u h THR 19 N 1.17 1.26 0.14 0.22 2.02 -0.99 -1.16 112.91 115.57 2g0u h THR 19 Ca 0.28 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 2g0u h THR 19 Cb 0.11 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2g0u h THR 19 CO -0.04 0.39 -0.07 1.23 0.37 0.00 0.00 175.52 177.41 2g0u h GLY 20 N 1.05 -0.19 2.00 2.16 0.00 -0.74 -2.95 103.07 104.40 2g0u h GLY 20 Ca 0.21 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 2g0u h GLY 20 CO 0.01 -0.07 -0.06 1.19 0.00 0.00 0.00 176.54 177.61 2g0u h ILE 21 N -0.42 0.14 -0.92 2.60 2.10 -1.21 -3.32 117.51 116.50 2g0u h ILE 21 Ca -0.02 -0.69 0.20 0.00 1.08 0.00 0.00 64.86 65.43 2g0u h ILE 21 Cb 0.34 1.60 -0.11 0.00 -1.09 0.00 0.00 36.82 37.55 2g0u h ILE 21 CO 0.03 0.06 0.47 1.23 -1.08 0.00 0.00 178.15 178.85 2g0u h GLY 22 N 2.16 1.59 2.00 8.18 0.00 -1.01 0.09 103.07 116.07 2g0u h GLY 22 Ca -0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 2g0u h GLY 22 CO 0.01 -0.18 -0.21 -0.09 0.00 0.00 0.00 176.54 176.07 2g0u h ARG 23 N 0.53 0.00 0.17 4.80 9.65 -1.68 0.58 114.38 128.43 2g0u h ARG 23 Ca 0.55 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 59.12 2g0u h ARG 23 Cb 0.97 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.56 2g0u h ARG 23 CO -0.46 0.21 -1.45 0.00 2.80 0.00 0.00 179.97 181.07 2g0u h ALA 24 N 1.79 0.06 -0.30 2.80 0.00 -1.35 -3.35 119.26 118.92 2g0u h ALA 24 Ca -0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 54.91 53.83 2g0u h ALA 24 Cb 0.72 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2g0u h ALA 24 CO 0.03 0.93 -0.29 0.35 0.00 0.00 0.00 179.25 180.27 2g0u h PHE 25 N 0.10 0.71 -0.91 0.00 3.57 -0.84 -3.11 116.94 116.46 2g0u h PHE 25 Ca -0.22 -0.17 0.23 0.00 3.53 0.00 0.00 57.97 61.33 2g0u h PHE 25 Cb 2.06 -0.16 -0.13 0.00 2.79 0.00 0.00 35.95 40.51 2g0u h PHE 25 CO 0.09 0.84 0.41 0.22 -2.23 0.00 0.00 178.31 177.64 2g0u h ASP 26 N 0.53 0.35 0.23 0.41 3.58 -1.02 0.27 116.42 120.77 2g0u h ASP 26 Ca 0.07 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.67 2g0u h ASP 26 Cb 0.77 0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.95 2g0u h ASP 26 CO 0.06 -0.01 0.00 -0.67 -2.88 0.00 0.00 179.24 175.74 2g0u n ASP 27 N -5.04 0.00 -0.35 2.28 2.03 -1.17 -1.25 116.55 113.04 2g0u n ASP 27 Ca 0.23 0.26 0.05 0.00 0.52 0.00 0.00 54.79 55.85 2g0u n ASP 27 Cb 0.68 -0.36 0.03 0.00 -0.72 0.00 0.00 41.12 40.76 2g0u n ASP 27 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2g0u n GLY 28 N -0.48 -0.37 0.00 0.27 0.00 0.06 -4.62 105.19 100.04 2g0u n GLY 28 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2g0u n GLY 28 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2g0u n VAL 29 N 0.35 0.00 0.07 1.61 0.24 -0.48 -4.65 118.33 115.47 2g0u n VAL 29 Ca 0.05 -0.46 0.20 0.00 -2.04 0.00 0.00 64.34 62.10 2g0u n VAL 29 Cb 0.24 1.08 0.74 0.00 -1.47 0.00 0.00 33.84 34.43 2g0u n VAL 29 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2g0u h LYS 30 N 0.00 0.00 -0.89 7.34 2.10 -1.43 -0.67 116.57 123.02 2g0u h LYS 30 Ca 0.00 0.00 0.12 0.00 -2.00 0.00 0.00 60.65 58.77 2g0u h LYS 30 Cb 0.04 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.30 2g0u h LYS 30 CO 0.00 0.00 0.57 0.22 -2.00 0.00 0.00 179.45 178.24 2g0u h ASP 31 N 0.00 0.72 -0.52 7.07 3.58 -1.87 -2.83 116.42 122.57 2g0u h ASP 31 Ca 0.21 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.64 2g0u h ASP 31 Cb 1.01 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.93 2g0u h ASP 31 CO -0.00 0.39 0.15 0.25 -2.88 0.00 0.00 179.24 177.15 2g0u h LEU 32 N 0.78 0.77 -1.21 2.28 6.46 -1.46 0.85 115.31 123.78 2g0u h LEU 32 Ca 0.43 -0.22 -0.01 0.00 -0.12 0.00 0.00 57.88 57.97 2g0u h LEU 32 Cb 0.57 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 2g0u h LEU 32 CO -0.19 0.78 0.39 -1.13 -0.62 0.00 0.00 178.44 177.66 2g0u h ASN 33 N 0.72 0.82 -0.20 1.25 -1.24 -1.63 -1.18 115.58 114.12 2g0u h ASN 33 Ca 0.17 -0.06 -0.14 0.00 0.71 0.00 0.00 56.30 56.98 2g0u h ASN 33 Cb 0.30 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 2g0u h ASN 33 CO -0.00 0.65 -0.37 0.50 -1.29 0.00 0.00 177.43 176.92 2g0u h LYS 34 N 0.94 0.73 -0.84 6.67 1.63 -1.14 -0.81 116.57 123.74 2g0u h LYS 34 Ca 0.24 -0.36 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 2g0u h LYS 34 Cb -0.00 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.59 2g0u h LYS 34 CO -0.04 0.98 0.53 1.96 -3.45 0.00 0.00 179.45 179.43 2g0u h GLN 35 N 0.60 1.13 -0.30 1.90 4.20 -0.48 -0.40 115.11 121.77 2g0u h GLN 35 Ca 0.06 -0.09 -0.15 0.00 0.06 0.00 0.00 58.65 58.53 2g0u h GLN 35 Cb 0.91 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 2g0u h GLN 35 CO 0.08 0.77 -0.42 1.25 -0.67 0.00 0.00 178.83 179.84 2g0u h LEU 36 N 1.15 0.80 -1.09 1.46 5.85 -1.05 -0.37 115.31 122.06 2g0u h LEU 36 Ca 0.30 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 2g0u h LEU 36 Cb -0.09 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 2g0u h LEU 36 CO -0.06 1.12 -0.00 -0.61 -0.34 0.00 0.00 178.44 178.54 2g0u h GLN 37 N 0.61 0.64 -0.50 1.25 4.15 -0.95 0.64 115.11 120.94 2g0u h GLN 37 Ca 0.04 -0.15 -0.09 0.00 0.77 0.00 0.00 58.65 59.22 2g0u h GLN 37 Cb 0.98 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.57 2g0u h GLN 37 CO 0.09 0.66 -0.06 0.22 -1.93 0.00 0.00 178.83 177.81 2g0u h ASP 38 N 0.61 0.88 -0.32 -0.69 3.58 -0.82 0.30 116.42 119.94 2g0u h ASP 38 Ca 0.12 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.32 2g0u h ASP 38 Cb 0.39 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 2g0u h ASP 38 CO 0.01 0.97 0.21 0.00 -2.88 0.00 0.00 179.24 177.56 2g0u h ALA 39 N 1.11 0.41 0.00 -0.78 0.00 -0.62 -1.08 119.26 118.29 2g0u h ALA 39 Ca 0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2g0u h ALA 39 Cb 0.57 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2g0u h ALA 39 CO 0.03 -0.12 -0.14 0.37 0.00 0.00 0.00 179.25 179.39 2g0u h GLN 40 N 0.43 0.00 0.19 0.00 4.15 -0.60 0.96 115.11 120.24 2g0u h GLN 40 Ca 0.12 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.23 2g0u h GLN 40 Cb -0.04 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.67 2g0u h GLN 40 CO -0.02 0.14 -1.36 0.00 -1.93 0.00 0.00 178.83 175.66 2g0u h ALA 41 N 1.86 -0.02 -0.37 3.38 0.00 -0.64 0.44 119.26 123.90 2g0u h ALA 41 Ca -0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 54.91 53.99 2g0u h ALA 41 Cb 0.36 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2g0u h ALA 41 CO 0.02 0.85 0.08 -0.91 0.00 0.00 0.00 179.25 179.29 2g0u h ASN 42 N 0.11 0.50 0.05 0.00 2.35 -0.74 -1.04 115.58 116.81 2g0u h ASN 42 Ca -0.19 -0.07 -0.15 0.00 -0.55 0.00 0.00 56.30 55.34 2g0u h ASN 42 Cb 2.07 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 40.30 2g0u h ASN 42 CO 0.24 0.51 -0.51 0.25 -1.65 0.00 0.00 177.43 176.27 2g0u h LEU 43 N 0.53 0.57 -0.88 1.61 5.85 -0.85 -3.12 115.31 119.02 2g0u h LEU 43 Ca 0.12 -0.29 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 2g0u h LEU 43 Cb 0.22 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2g0u h LEU 43 CO -0.00 0.98 0.13 0.74 -0.34 0.00 0.00 178.44 179.95 2g0u h THR 44 N 0.40 1.25 -0.28 1.05 2.02 0.94 0.21 112.91 118.51 2g0u h THR 44 Ca 0.02 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 2g0u h THR 44 Cb 1.03 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2g0u h THR 44 CO 0.09 0.34 0.12 0.11 0.37 0.00 0.00 175.52 176.56 2g0u h LYS 45 N 0.92 0.38 -1.72 6.66 1.57 -1.25 -3.38 116.57 119.75 2g0u h LYS 45 Ca 0.19 -0.04 -0.30 0.00 -1.87 0.00 0.00 60.65 58.64 2g0u h LYS 45 Cb 0.35 -0.08 -0.28 0.00 0.08 0.00 0.00 32.23 32.30 2g0u h LYS 45 CO 0.00 0.31 -0.63 1.21 -0.57 0.00 0.00 179.45 179.77 2g0u s ASN 46 N -6.80 0.52 0.61 0.86 3.84 -0.78 -5.07 114.94 108.12 2g0u s ASN 46 Ca -0.07 -1.39 0.26 0.00 0.21 0.00 0.00 52.86 51.87 2g0u s ASN 46 Cb 0.17 0.89 1.28 0.00 -0.55 0.00 0.00 41.25 43.04 2g0u s ASN 46 CO 0.72 -0.24 1.71 -0.65 -2.79 0.00 0.00 177.10 175.85 2g0u h PRO 47 N 7.04 0.00 0.00 0.43 0.11 -0.79 -0.53 132.00 138.27 2g0u h PRO 47 Ca 0.05 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.09 2g0u h PRO 47 Cb 1.08 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.04 2g0u h PRO 47 CO 0.18 0.00 -0.66 -1.13 -0.21 0.00 0.00 178.00 176.17 2g0u n SER 48 N -3.36 1.31 -4.69 -2.05 3.41 -1.26 -4.90 113.62 102.07 2g0u n SER 48 Ca 0.09 -2.85 -0.42 0.00 -0.26 0.00 0.00 58.87 55.42 2g0u n SER 48 Cb 0.83 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.36 2g0u n SER 48 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2g0u n ASP 49 N -0.38 4.06 0.19 4.04 -0.08 -0.21 -4.89 116.55 119.27 2g0u n ASP 49 Ca 0.11 0.98 0.04 0.00 -1.51 0.00 0.00 54.79 54.42 2g0u n ASP 49 Cb 0.87 -1.54 0.36 0.00 2.34 0.00 0.00 41.12 43.15 2g0u n ASP 49 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2g0u h PRO 50 N 8.68 0.00 -0.03 -0.67 0.13 -1.97 0.11 132.00 138.25 2g0u h PRO 50 Ca -0.47 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.47 2g0u h PRO 50 Cb 1.22 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.37 2g0u h PRO 50 CO 0.95 0.39 -0.73 1.15 -0.23 0.00 0.00 178.00 179.52 2g0u h THR 51 N 0.00 1.36 -0.84 1.56 2.02 -1.97 0.13 112.91 115.17 2g0u h THR 51 Ca -0.00 -2.07 0.08 0.00 0.77 0.00 0.00 66.41 65.19 2g0u h THR 51 Cb 0.79 2.40 -0.07 0.00 -1.74 0.00 0.00 68.15 69.53 2g0u h THR 51 CO 0.05 0.62 0.50 0.00 0.37 0.00 0.00 175.52 177.06 2g0u h ALA 52 N 0.39 1.18 0.13 6.16 0.00 -1.82 0.24 119.26 125.55 2g0u h ALA 52 Ca -0.08 0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.56 2g0u h ALA 52 Cb 1.41 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.04 2g0u h ALA 52 CO 0.15 0.17 -1.24 1.25 0.00 0.00 0.00 179.25 179.58 2g0u h LEU 53 N 0.86 0.56 -0.80 0.00 5.85 -0.82 0.06 115.31 121.02 2g0u h LEU 53 Ca 0.39 -0.56 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2g0u h LEU 53 Cb 0.29 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 2g0u h LEU 53 CO -0.22 1.42 0.48 0.00 -0.34 0.00 0.00 178.44 179.78 2g0u h ALA 54 N 0.51 1.03 0.27 1.25 0.00 -0.56 0.11 119.26 121.87 2g0u h ALA 54 Ca -0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2g0u h ALA 54 Cb 1.94 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2g0u h ALA 54 CO 0.21 0.50 -0.13 -0.97 0.00 0.00 0.00 179.25 178.86 2g0u h ASN 55 N 1.10 -0.31 -0.64 0.00 -1.24 -0.44 0.20 115.58 114.26 2g0u h ASN 55 Ca 0.29 -0.17 0.09 0.00 0.71 0.00 0.00 56.30 57.22 2g0u h ASN 55 Cb -0.03 0.08 -0.07 0.00 0.73 0.00 0.00 38.32 39.03 2g0u h ASN 55 CO -0.05 0.01 0.28 0.22 -1.29 0.00 0.00 177.43 176.60 2g0u h TYR 56 N -0.66 0.50 -0.65 0.67 3.20 -0.96 0.21 116.97 119.29 2g0u h TYR 56 Ca -0.04 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 2g0u h TYR 56 Cb 0.46 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 2g0u h TYR 56 CO 0.01 0.16 0.11 1.96 -1.64 0.00 0.00 178.16 178.77 2g0u h GLN 57 N 0.49 1.06 -0.20 1.82 1.08 -0.67 0.12 115.11 118.82 2g0u h GLN 57 Ca 0.32 -0.27 -0.05 0.00 -1.45 0.00 0.00 58.65 57.20 2g0u h GLN 57 Cb 0.36 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2g0u h GLN 57 CO -0.28 0.97 -0.08 1.98 -0.95 0.00 0.00 178.83 180.47 2g0u h MET 58 N 1.00 0.40 -0.28 1.46 4.05 -0.51 -0.13 114.93 120.92 2g0u h MET 58 Ca 0.20 -0.17 -0.11 0.00 -0.28 0.00 0.00 59.70 59.34 2g0u h MET 58 Cb 0.42 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 2g0u h MET 58 CO 0.01 0.68 -0.30 0.82 0.23 0.00 0.00 176.91 178.35 2g0u h ILE 59 N 0.10 1.28 -0.24 1.77 2.04 -0.93 -2.72 117.51 118.81 2g0u h ILE 59 Ca 0.05 -1.40 -0.11 0.00 1.00 0.00 0.00 64.86 64.40 2g0u h ILE 59 Cb 0.55 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2g0u h ILE 59 CO 0.03 0.45 -0.32 -0.03 0.00 0.00 0.00 178.15 178.27 2g0u h MET 60 N 0.50 0.49 -0.35 2.37 4.05 -0.67 0.15 114.93 121.46 2g0u h MET 60 Ca 0.06 -0.21 -0.01 0.00 -0.28 0.00 0.00 59.70 59.26 2g0u h MET 60 Cb 0.77 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.54 2g0u h MET 60 CO 0.06 0.76 0.17 0.77 0.23 0.00 0.00 176.91 178.90 2g0u h SER 61 N 0.42 0.43 0.11 1.39 0.02 -0.84 -0.03 113.55 115.06 2g0u h SER 61 Ca 0.05 -0.03 -0.23 0.00 -0.84 0.00 0.00 61.79 60.74 2g0u h SER 61 Cb 0.77 -0.11 0.02 0.00 0.14 0.00 0.00 62.40 63.22 2g0u h SER 61 CO 0.06 0.37 -0.98 -0.08 -1.14 0.00 0.00 176.83 175.06 2g0u h GLU 62 N 0.49 0.47 -0.36 3.45 4.81 -1.15 -3.37 114.58 118.93 2g0u h GLU 62 Ca 0.13 -0.66 0.04 0.00 -0.13 0.00 0.00 59.36 58.73 2g0u h GLU 62 Cb 0.05 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 2g0u h GLU 62 CO -0.02 1.28 0.14 -0.92 -0.73 0.00 0.00 179.01 178.77 2g0u h TYR 63 N -0.02 0.26 -0.04 0.92 3.20 -0.43 -3.15 116.97 117.71 2g0u h TYR 63 Ca -0.15 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.71 2g0u h TYR 63 Cb 1.71 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.92 2g0u h TYR 63 CO 0.15 0.12 -0.06 -0.97 -1.64 0.00 0.00 178.16 175.76 2g0u h ASN 64 N 0.31 0.05 -0.22 -2.11 -0.73 -1.16 0.61 115.58 112.32 2g0u h ASN 64 Ca 0.16 -0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.32 2g0u h ASN 64 Cb 0.11 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.68 2g0u h ASN 64 CO -0.14 0.12 0.11 0.25 -0.37 0.00 0.00 177.43 177.40 2g0u h LEU 65 N 0.06 0.29 -0.09 0.34 5.85 -1.71 -2.90 115.31 117.14 2g0u h LEU 65 Ca 0.01 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 2g0u h LEU 65 Cb 0.14 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2g0u h LEU 65 CO 0.01 0.31 -0.42 1.88 -0.34 0.00 0.00 178.44 179.88 2g0u h TYR 66 N 0.24 0.00 -0.43 1.25 0.05 -1.57 -3.36 116.97 113.15 2g0u h TYR 66 Ca 0.08 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 2g0u h TYR 66 Cb 0.10 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.82 2g0u h TYR 66 CO -0.03 0.42 0.18 -0.09 -1.05 0.00 0.00 178.16 177.59 2g0u h ARG 67 N 0.00 0.60 -0.38 4.88 9.65 -0.68 0.48 114.38 128.94 2g0u h ARG 67 Ca -0.00 -0.08 -0.04 0.00 -1.10 0.00 0.00 59.98 58.76 2g0u h ARG 67 Cb 1.29 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.73 2g0u h ARG 67 CO 0.05 0.49 0.06 -0.97 2.80 0.00 0.00 179.97 182.40 2g0u h ASN 68 N 0.60 0.53 0.24 -3.80 -0.73 -1.69 -2.57 115.58 108.16 2g0u h ASN 68 Ca 0.15 -0.09 -0.27 0.00 1.87 0.00 0.00 56.30 57.96 2g0u h ASN 68 Cb 0.11 -0.14 0.02 0.00 0.27 0.00 0.00 38.32 38.58 2g0u h ASN 68 CO -0.02 0.56 -1.15 0.00 -0.37 0.00 0.00 177.43 176.46 2g0u h ALA 69 N 1.51 0.12 -0.56 1.57 0.00 -1.48 -3.31 119.26 117.10 2g0u h ALA 69 Ca 0.12 -0.77 0.07 0.00 0.00 0.00 0.00 54.91 54.34 2g0u h ALA 69 Cb 0.27 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2g0u h ALA 69 CO 0.00 0.76 0.38 0.37 0.00 0.00 0.00 179.25 180.76 2g0u h GLN 70 N 0.25 0.45 -0.78 0.00 5.75 -0.76 -1.97 115.11 118.05 2g0u h GLN 70 Ca -0.15 -0.03 0.19 0.00 -0.15 0.00 0.00 58.65 58.52 2g0u h GLN 70 Cb 1.82 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 30.22 2g0u h GLN 70 CO 0.21 0.30 0.54 0.77 -2.65 0.00 0.00 178.83 178.00 2g0u h SER 71 N 0.46 0.23 -0.84 -0.69 0.02 -1.55 -0.67 113.55 110.50 2g0u h SER 71 Ca 0.25 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.18 2g0u h SER 71 Cb 0.38 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 2g0u h SER 71 CO -0.07 0.10 0.39 -1.28 -1.14 0.00 0.00 176.83 174.83 2g0u h SER 72 N 0.23 1.11 0.34 3.07 0.87 -1.55 -1.40 113.55 116.22 2g0u h SER 72 Ca 0.39 -0.14 -0.33 0.00 -1.23 0.00 0.00 61.79 60.48 2g0u h SER 72 Cb 1.18 -0.29 0.02 0.00 -0.44 0.00 0.00 62.40 62.87 2g0u h SER 72 CO -0.09 0.94 -1.49 0.00 -0.53 0.00 0.00 176.83 175.67 2g0u h ALA 73 N 1.21 -0.02 -0.58 6.23 0.00 -1.50 -3.36 119.26 121.25 2g0u h ALA 73 Ca 0.29 -0.94 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 2g0u h ALA 73 Cb 0.14 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2g0u h ALA 73 CO -0.03 0.85 0.20 0.28 0.00 0.00 0.00 179.25 180.55 2g0u h VAL 74 N 0.12 1.22 -0.90 0.00 2.07 -1.07 -2.84 116.25 114.84 2g0u h VAL 74 Ca -0.25 -0.71 0.11 0.00 0.82 0.00 0.00 66.70 66.68 2g0u h VAL 74 Cb 2.11 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 32.36 2g0u h VAL 74 CO 0.24 0.28 0.53 0.50 0.02 0.00 0.00 177.57 179.14 2g0u h LYS 75 N 0.83 0.83 0.00 1.57 1.63 -1.40 0.15 116.57 120.18 2g0u h LYS 75 Ca 0.19 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 2g0u h LYS 75 Cb 0.21 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 2g0u h LYS 75 CO -0.01 0.55 0.00 0.43 -3.45 0.00 0.00 179.45 176.96 2g0u n SER 76 N -4.71 0.00 -0.05 4.20 7.64 -1.07 -3.39 113.62 116.24 2g0u n SER 76 Ca 0.16 0.45 -0.07 0.00 1.01 0.00 0.00 58.87 60.42 2g0u n SER 76 Cb 0.33 -0.48 -0.05 0.00 -1.01 0.00 0.00 64.21 63.01 2g0u n SER 76 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2g0u n MET 77 N -1.48 0.45 -0.04 1.43 0.00 -0.44 -4.62 117.12 112.42 2g0u n MET 77 Ca 0.05 0.05 0.08 0.00 -0.00 0.00 0.00 57.70 57.89 2g0u n MET 77 Cb 0.21 -1.20 0.47 0.00 0.00 0.00 0.00 33.22 32.71 2g0u n MET 77 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 2g0u h LYS 78 N 0.00 0.45 -0.07 2.12 3.64 -0.85 0.15 116.57 122.00 2g0u h LYS 78 Ca -0.22 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.16 2g0u h LYS 78 Cb 1.35 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2g0u h LYS 78 CO -0.03 0.30 0.10 0.22 -2.27 0.00 0.00 179.45 177.77 2g0u h ASP 79 N 0.47 0.00 0.01 4.20 3.58 -1.80 -0.89 116.42 121.99 2g0u h ASP 79 Ca 0.22 0.00 -0.42 0.00 0.42 0.00 0.00 57.03 57.25 2g0u h ASP 79 Cb 0.27 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.25 2g0u h ASP 79 CO -0.06 0.00 -2.43 -0.38 -2.88 0.00 0.00 179.24 173.49 2g0u n ILE 80 N -3.65 1.53 0.28 2.25 2.08 -0.37 -4.53 119.36 116.94 2g0u n ILE 80 Ca -0.01 -0.46 0.11 0.00 0.56 0.00 0.00 62.75 62.95 2g0u n ILE 80 Cb 0.20 -1.68 0.77 0.00 -0.75 0.00 0.00 39.64 38.17 2g0u n ILE 80 CO 0.00 0.00 0.00 -0.78 0.56 0.00 0.00 176.55 176.33 2g0u h ASP 81 N -0.51 0.00 -0.58 4.38 3.58 -0.86 -1.61 116.42 120.82 2g0u h ASP 81 Ca -0.62 0.00 0.17 0.00 0.42 0.00 0.00 57.03 57.00 2g0u h ASP 81 Cb 1.75 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.77 2g0u h ASP 81 CO -0.25 0.01 0.54 -1.28 -2.88 0.00 0.00 179.24 175.38 2g0u h SER 82 N 0.00 0.00 0.28 2.28 0.87 -1.40 -0.04 113.55 115.54 2g0u h SER 82 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2g0u h SER 82 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2g0u h SER 82 CO 0.00 0.00 0.00 -1.28 -0.53 0.00 0.00 176.83 175.02 2g0u h SER 83 N 0.00 0.00 0.00 6.23 0.87 -1.57 -3.25 113.55 115.83 2g0u h SER 83 Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2g0u h SER 83 Cb 1.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2g0u h SER 83 CO -0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 176.83 176.21 2g0u n ILE 84 N -2.53 0.00 -1.10 2.23 0.00 -0.25 -4.90 119.36 112.82 2g0u n ILE 84 Ca -0.01 -0.14 -0.35 0.00 0.00 0.00 0.00 62.75 62.25 2g0u n ILE 84 Cb 0.12 0.81 -0.03 0.00 0.00 0.00 0.00 39.64 40.54 2g0u n ILE 84 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2g0u n LEU 85 N -0.41 5.31 -3.97 9.51 -0.00 -0.19 -4.81 117.00 122.44 2g0u n LEU 85 Ca 0.00 -3.23 -0.09 0.00 -0.00 0.00 0.00 56.01 52.68 2g0u n LEU 85 Cb 0.00 -1.23 -0.06 0.00 -0.00 0.00 0.00 43.42 42.13 2g0u n LEU 85 CO 0.00 0.48 0.11 -1.83 -0.00 0.00 0.00 177.39 176.15 2g0u s GLU 86 N 3.85 1.40 0.30 1.96 -1.05 -1.26 -4.91 118.70 118.98 2g0u s GLU 86 Ca 0.51 -1.20 -0.07 0.00 -0.15 0.00 0.00 54.97 54.05 2g0u s GLU 86 Cb 0.13 0.44 -0.00 0.00 -0.44 0.00 0.00 34.13 34.26 2g0u s GLU 86 CO 0.01 -0.56 0.46 -1.58 0.95 0.00 0.00 175.26 174.55 2g0u s HIS 87 N -3.99 0.74 -0.01 4.83 2.46 -1.26 -5.19 115.29 112.87 2g0u s HIS 87 Ca 0.20 -1.05 -0.06 0.00 0.47 0.00 0.00 55.06 54.62 2g0u s HIS 87 Cb 0.01 0.04 0.00 0.00 -0.13 0.00 0.00 32.58 32.50 2g0u s HIS 87 CO 0.05 -1.06 0.12 -1.58 -2.47 0.00 0.00 174.74 169.80 2g0u s HIS 88 N -3.48 0.02 0.23 3.88 2.46 -1.26 -5.16 115.29 111.98 2g0u s HIS 88 Ca 0.27 -0.05 -0.30 0.00 0.47 0.00 0.00 55.06 55.45 2g0u s HIS 88 Cb -0.00 -0.04 -0.09 0.00 -0.13 0.00 0.00 32.58 32.32 2g0u s HIS 88 CO 0.15 -0.23 1.18 -3.38 -2.47 0.00 0.00 174.74 169.99 2g0u s HIS 89 N -1.06 3.42 0.18 3.88 -3.43 -1.26 -5.05 115.29 111.97 2g0u s HIS 89 Ca -0.12 1.50 -0.05 0.00 -0.80 0.00 0.00 55.06 55.60 2g0u s HIS 89 Cb -0.06 -3.42 -0.03 0.00 -1.43 0.00 0.00 32.58 27.64 2g0u s HIS 89 CO 0.01 -1.11 0.20 -1.01 -2.00 0.00 0.00 174.74 170.83 2g0u s HIS 90 N -0.52 0.78 0.05 0.38 3.76 -1.26 -5.19 115.29 113.30 2g0u s HIS 90 Ca 0.50 -1.10 -0.11 0.00 -0.15 0.00 0.00 55.06 54.20 2g0u s HIS 90 Cb -0.33 -0.31 0.01 0.00 1.11 0.00 0.00 32.58 33.06 2g0u s HIS 90 CO 0.40 -0.68 0.23 -3.38 -0.85 0.00 0.00 174.74 170.46 2g0u s HIS 91 N -4.06 0.02 0.00 1.40 -3.43 -1.26 -5.36 115.29 102.59 2g0u s HIS 91 Ca 0.28 -0.26 0.00 0.00 -0.80 0.00 0.00 55.06 54.27 2g0u s HIS 91 Cb 0.05 0.01 0.00 0.00 -1.43 0.00 0.00 32.58 31.21 2g0u s HIS 91 CO 0.06 -0.48 0.00 1.58 -2.00 0.00 0.00 174.74 173.90