#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gof s LEU 4 N 0.00 4.56 0.70 1.69 1.43 -1.26 -5.04 118.68 120.76 3gof s LEU 4 Ca 0.00 2.11 -0.09 0.00 -1.03 0.00 0.00 54.13 55.12 3gof s LEU 4 Cb 0.00 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.65 3gof s LEU 4 CO 0.00 -0.07 1.05 0.42 0.23 0.00 0.00 176.35 177.98 3gof s THR 5 N -0.89 2.81 0.43 5.49 -4.23 -1.26 -4.86 115.64 113.13 3gof s THR 5 Ca 0.45 0.03 0.11 0.00 -1.18 0.00 0.00 61.69 61.10 3gof s THR 5 Cb -0.29 -3.22 0.22 0.00 1.34 0.00 0.00 72.50 70.56 3gof s THR 5 CO 0.36 -0.26 2.03 -0.33 -0.54 0.00 0.00 174.62 175.89 3gof h GLU 6 N -0.62 0.26 -0.08 3.99 4.39 -1.99 -0.41 114.58 120.12 3gof h GLU 6 Ca -0.45 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.21 3gof h GLU 6 Cb 1.29 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3gof h GLU 6 CO 0.63 0.26 0.04 1.49 -1.16 0.00 0.00 179.01 180.26 3gof h GLU 7 N 0.26 0.12 -0.55 2.33 4.81 -1.99 -1.21 114.58 118.35 3gof h GLU 7 Ca 0.06 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 3gof h GLU 7 Cb 0.13 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3gof h GLU 7 CO -0.00 0.21 0.11 1.96 -0.73 0.00 0.00 179.01 180.56 3gof h GLN 8 N 0.00 0.89 -0.95 1.92 4.20 -1.74 -1.39 115.11 118.05 3gof h GLN 8 Ca 0.03 -0.23 0.01 0.00 0.06 0.00 0.00 58.65 58.52 3gof h GLN 8 Cb 0.13 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 3gof h GLN 8 CO -0.00 0.85 0.63 0.82 -0.67 0.00 0.00 178.83 180.45 3gof h ILE 9 N 0.79 1.24 -0.44 2.54 1.08 -1.01 -0.74 117.51 120.98 3gof h ILE 9 Ca 0.17 -0.44 -0.09 0.00 -0.39 0.00 0.00 64.86 64.11 3gof h ILE 9 Cb 0.37 -0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 33.96 3gof h ILE 9 CO 0.01 0.23 -0.08 0.00 -0.69 0.00 0.00 178.15 177.62 3gof h ALA 10 N 1.35 0.60 -0.68 1.87 0.00 -0.92 0.18 119.26 121.66 3gof h ALA 10 Ca 0.35 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3gof h ALA 10 Cb -0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3gof h ALA 10 CO -0.08 0.46 0.45 0.93 0.00 0.00 0.00 179.25 181.01 3gof h GLU 11 N 0.65 0.89 -0.22 0.00 5.08 -0.91 -0.43 114.58 119.65 3gof h GLU 11 Ca 0.11 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.25 3gof h GLU 11 Cb 0.60 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3gof h GLU 11 CO 0.04 0.59 -0.56 0.74 -1.00 0.00 0.00 179.01 178.82 3gof h PHE 12 N 0.92 0.85 -0.67 4.33 0.04 -0.73 -0.82 116.94 120.85 3gof h PHE 12 Ca 0.25 -0.30 -0.04 0.00 2.80 0.00 0.00 57.97 60.67 3gof h PHE 12 Cb -0.10 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 37.86 3gof h PHE 12 CO -0.03 1.07 0.24 0.87 -0.60 0.00 0.00 178.31 179.87 3gof h LYS 13 N 0.51 1.02 -0.41 1.51 1.57 -0.50 0.17 116.57 120.44 3gof h LYS 13 Ca 0.01 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.55 3gof h LYS 13 Cb 1.12 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 3gof h LYS 13 CO 0.11 0.86 0.11 1.49 -0.57 0.00 0.00 179.45 181.46 3gof h GLU 14 N 0.96 0.65 -0.61 3.15 4.57 -0.93 -1.34 114.58 121.03 3gof h GLU 14 Ca 0.22 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 3gof h GLU 14 Cb 0.24 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 3gof h GLU 14 CO -0.01 0.66 0.36 0.00 -1.18 0.00 0.00 179.01 178.83 3gof h ALA 15 N 0.96 0.77 -0.97 2.92 0.00 -0.90 -2.46 119.26 119.58 3gof h ALA 15 Ca 0.13 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3gof h ALA 15 Cb 0.29 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3gof h ALA 15 CO -0.00 0.26 0.63 0.35 0.00 0.00 0.00 179.25 180.49 3gof h PHE 16 N 0.82 1.18 0.00 0.00 3.57 -0.46 -1.80 116.94 120.25 3gof h PHE 16 Ca 0.22 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 3gof h PHE 16 Cb -0.01 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 38.33 3gof h PHE 16 CO -0.02 0.66 -0.06 0.66 -2.23 0.00 0.00 178.31 177.32 3gof h SER 17 N 1.20 0.00 0.40 0.41 4.64 -0.78 0.64 113.55 120.06 3gof h SER 17 Ca 0.39 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.58 3gof h SER 17 Cb 0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 3gof h SER 17 CO -0.13 0.06 -0.55 -0.07 -0.87 0.00 0.00 176.83 175.26 3gof h LEU 18 N 0.00 0.19 0.04 5.97 3.38 -1.12 -3.28 115.31 120.49 3gof h LEU 18 Ca -0.00 -0.10 -0.18 0.00 0.09 0.00 0.00 57.88 57.69 3gof h LEU 18 Cb 0.32 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3gof h LEU 18 CO 0.01 0.70 -0.92 -0.26 0.09 0.00 0.00 178.44 178.06 3gof h PHE 19 N 0.13 0.16 -0.44 1.13 0.04 -1.37 -3.41 116.94 113.18 3gof h PHE 19 Ca -0.00 -0.12 -0.72 0.00 2.80 0.00 0.00 57.97 59.93 3gof h PHE 19 Cb 1.02 -0.01 -0.08 0.00 2.20 0.00 0.00 35.95 39.09 3gof h PHE 19 CO 0.01 1.36 2.78 -3.47 -0.60 0.00 0.00 178.31 178.39 3gof n ASP 20 N -4.31 4.26 0.22 2.17 2.03 0.14 -4.75 116.55 116.32 3gof n ASP 20 Ca -0.23 -2.92 0.15 0.00 0.52 0.00 0.00 54.79 52.31 3gof n ASP 20 Cb 0.70 -1.61 0.59 0.00 -0.72 0.00 0.00 41.12 40.08 3gof n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3gof h LYS 21 N 5.97 0.00 -0.02 -0.67 1.57 -1.80 -1.57 116.57 120.05 3gof h LYS 21 Ca 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 3gof h LYS 21 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3gof h LYS 21 CO 1.80 0.00 -0.01 -0.40 -0.57 0.00 0.00 179.45 180.27 3gof n ASP 22 N -2.81 2.18 -1.45 0.86 5.68 -1.26 -4.95 116.55 114.80 3gof n ASP 22 Ca 0.01 -1.72 -0.17 0.00 -0.50 0.00 0.00 54.79 52.42 3gof n ASP 22 Cb 0.30 0.01 -0.05 0.00 -1.14 0.00 0.00 41.12 40.24 3gof n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gof n GLY 23 N 1.26 1.10 0.25 6.12 0.00 -0.59 -4.89 105.19 108.44 3gof n GLY 23 Ca 0.17 -0.22 0.15 0.00 0.00 0.00 0.00 46.02 46.12 3gof n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gof n ASP 24 N -0.82 0.80 0.00 1.61 5.75 -1.26 -4.90 116.55 117.72 3gof n ASP 24 Ca -0.17 -1.25 0.00 0.00 -0.01 0.00 0.00 54.79 53.36 3gof n ASP 24 Cb 0.58 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 3gof n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gof n GLY 25 N 1.10 0.54 3.12 6.12 0.00 -1.26 -5.04 105.19 109.77 3gof n GLY 25 Ca 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 3gof n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gof s THR 26 N -2.26 0.79 -0.22 2.61 -4.23 -1.26 -3.85 115.64 107.22 3gof s THR 26 Ca 0.00 -1.31 -0.09 0.00 -1.18 0.00 0.00 61.69 59.11 3gof s THR 26 Cb 0.00 -0.95 -0.04 0.00 1.34 0.00 0.00 72.50 72.84 3gof s THR 26 CO 0.00 -0.40 0.12 -0.63 -0.54 0.00 0.00 174.62 173.16 3gof s ILE 27 N -1.70 5.06 0.45 2.99 1.01 0.23 -4.75 121.20 124.50 3gof s ILE 27 Ca -0.03 0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.74 3gof s ILE 27 Cb -0.08 -3.33 0.01 0.00 0.01 0.00 0.00 42.46 39.07 3gof s ILE 27 CO 0.01 0.39 0.63 0.42 0.00 0.00 0.00 174.94 176.38 3gof s THR 28 N 0.87 3.07 0.27 2.92 -4.23 -1.26 -1.65 115.64 115.63 3gof s THR 28 Ca 0.06 -0.87 -0.04 0.00 -1.18 0.00 0.00 61.69 59.66 3gof s THR 28 Cb -0.13 -3.07 0.26 0.00 1.34 0.00 0.00 72.50 70.90 3gof s THR 28 CO 0.03 -0.03 1.93 0.71 -0.54 0.00 0.00 174.62 176.71 3gof h THR 29 N 0.48 1.20 -0.25 3.99 1.35 -1.90 -1.17 112.91 116.61 3gof h THR 29 Ca -0.42 -0.42 0.02 0.00 -0.55 0.00 0.00 66.41 65.04 3gof h THR 29 Cb 1.28 -0.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.53 3gof h THR 29 CO 0.49 0.23 0.11 0.50 -0.25 0.00 0.00 175.52 176.59 3gof h LYS 30 N 1.24 0.24 -0.81 4.72 3.64 -1.97 -0.66 116.57 122.96 3gof h LYS 30 Ca 0.36 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.72 3gof h LYS 30 Cb -0.06 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 3gof h LYS 30 CO -0.10 0.16 0.48 0.93 -2.27 0.00 0.00 179.45 178.64 3gof h GLU 31 N 0.24 1.11 -0.68 1.90 5.08 -1.74 -1.44 114.58 119.06 3gof h GLU 31 Ca 0.10 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3gof h GLU 31 Cb 0.04 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 3gof h GLU 31 CO -0.08 0.80 0.17 1.25 -1.00 0.00 0.00 179.01 180.15 3gof h LEU 32 N 1.12 1.02 -0.64 1.33 5.85 -1.01 -1.99 115.31 120.98 3gof h LEU 32 Ca 0.29 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3gof h LEU 32 Cb -0.02 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 3gof h LEU 32 CO -0.05 0.99 0.34 1.23 -0.34 0.00 0.00 178.44 180.60 3gof h GLY 33 N 1.01 0.97 1.00 3.75 0.00 -0.86 -0.35 103.07 108.60 3gof h GLY 33 Ca 0.21 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3gof h GLY 33 CO 0.00 0.44 0.22 -0.84 0.00 0.00 0.00 176.54 176.36 3gof h THR 34 N 0.88 1.09 -0.14 4.70 2.02 -0.93 0.55 112.91 121.08 3gof h THR 34 Ca 0.22 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.24 3gof h THR 34 Cb 0.07 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3gof h THR 34 CO -0.03 0.09 0.09 0.58 0.37 0.00 0.00 175.52 176.61 3gof h VAL 35 N 0.45 1.06 -0.88 3.16 2.07 -1.21 -1.40 116.25 119.50 3gof h VAL 35 Ca 0.12 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3gof h VAL 35 Cb -0.05 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3gof h VAL 35 CO -0.03 0.05 0.45 0.24 0.02 0.00 0.00 177.57 178.31 3gof h MET 36 N 0.17 1.24 -0.16 1.57 2.86 -0.82 -1.41 114.93 118.38 3gof h MET 36 Ca 0.05 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.45 3gof h MET 36 Cb 0.01 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 3gof h MET 36 CO -0.01 0.93 -0.26 0.00 1.06 0.00 0.00 176.91 178.63 3gof h ARG 37 N 1.24 0.30 0.00 1.72 3.08 -0.75 -1.20 114.38 118.78 3gof h ARG 37 Ca 0.30 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 3gof h ARG 37 Cb 0.08 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 3gof h ARG 37 CO -0.04 0.54 -0.02 0.66 -1.07 0.00 0.00 179.97 180.04 3gof h SER 38 N 0.27 0.00 0.05 7.04 4.64 -0.16 -1.18 113.55 124.21 3gof h SER 38 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3gof h SER 38 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3gof h SER 38 CO 0.04 0.02 -0.10 0.18 -0.87 0.00 0.00 176.83 176.10 3gof n LEU 39 N -3.19 1.66 0.00 5.97 4.77 -0.75 -4.78 117.00 120.68 3gof n LEU 39 Ca -0.01 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 3gof n LEU 39 Cb 0.20 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3gof n LEU 39 CO 0.25 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3gof n GLY 40 N 1.26 0.83 3.96 -0.72 0.00 -0.44 -4.92 105.19 105.16 3gof n GLY 40 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 3gof n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gof s GLN 41 N -0.71 2.63 -0.39 1.61 -0.21 -0.53 -5.00 119.66 117.06 3gof s GLN 41 Ca 0.00 -0.60 0.09 0.00 0.02 0.00 0.00 55.36 54.87 3gof s GLN 41 Cb 0.00 -2.45 0.27 0.00 1.00 0.00 0.00 33.01 31.83 3gof s GLN 41 CO 0.00 -0.69 0.56 0.09 -2.12 0.00 0.00 175.29 173.13 3gof n ASN 42 N -2.38 0.35 -4.76 5.90 3.02 -1.26 -3.81 115.26 112.32 3gof n ASN 42 Ca 0.06 -2.76 -0.36 0.00 -0.03 0.00 0.00 54.58 51.49 3gof n ASN 42 Cb 0.59 -0.64 0.03 0.00 -0.61 0.00 0.00 39.78 39.15 3gof n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3gof s PRO 43 N -1.43 3.14 0.63 3.52 0.04 -1.26 -5.03 135.00 134.61 3gof s PRO 43 Ca 0.36 1.87 -0.07 0.00 0.04 0.00 0.00 61.00 63.20 3gof s PRO 43 Cb 0.20 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.71 3gof s PRO 43 CO -0.10 -1.08 0.95 0.95 0.04 0.00 0.00 177.00 177.76 3gof s THR 44 N -1.55 3.39 0.22 1.26 -4.23 -1.26 -4.93 115.64 108.54 3gof s THR 44 Ca 0.74 0.04 -0.08 0.00 -1.18 0.00 0.00 61.69 61.21 3gof s THR 44 Cb -0.31 -3.38 0.17 0.00 1.34 0.00 0.00 72.50 70.31 3gof s THR 44 CO 0.35 -0.41 1.83 -0.08 -0.54 0.00 0.00 174.62 175.77 3gof h GLU 45 N -0.33 0.78 -0.37 3.99 4.22 -1.99 -1.32 114.58 119.55 3gof h GLU 45 Ca -0.45 -0.05 -0.06 0.00 0.08 0.00 0.00 59.36 58.88 3gof h GLU 45 Cb 1.27 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 3gof h GLU 45 CO 0.61 0.51 -0.02 0.00 -2.18 0.00 0.00 179.01 177.94 3gof h ALA 46 N 1.36 1.27 -0.50 2.92 0.00 -1.99 -0.89 119.26 121.43 3gof h ALA 46 Ca 0.32 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3gof h ALA 46 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3gof h ALA 46 CO -0.17 0.49 -0.15 0.93 0.00 0.00 0.00 179.25 180.35 3gof h GLU 47 N 0.57 0.98 -0.42 0.00 5.08 -1.73 -0.58 114.58 118.49 3gof h GLU 47 Ca 0.12 -0.39 -0.04 0.00 -1.00 0.00 0.00 59.36 58.05 3gof h GLU 47 Cb 0.39 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3gof h GLU 47 CO 0.02 1.06 0.10 -0.07 -1.00 0.00 0.00 179.01 179.12 3gof h LEU 48 N 0.85 0.63 -0.56 1.33 3.38 -0.88 -0.03 115.31 120.03 3gof h LEU 48 Ca 0.12 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.91 3gof h LEU 48 Cb 0.72 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 3gof h LEU 48 CO 0.05 0.70 0.29 1.56 0.09 0.00 0.00 178.44 181.14 3gof h GLN 49 N 0.53 0.55 -0.44 1.13 4.20 -0.99 -1.41 115.11 118.68 3gof h GLN 49 Ca 0.13 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 3gof h GLN 49 Cb 0.31 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 3gof h GLN 49 CO 0.00 0.36 0.22 0.22 -0.67 0.00 0.00 178.83 178.97 3gof h ASP 50 N 0.56 0.56 -0.59 1.46 3.58 -0.86 -0.11 116.42 121.02 3gof h ASP 50 Ca 0.25 -0.11 -0.06 0.00 0.42 0.00 0.00 57.03 57.53 3gof h ASP 50 Cb 0.15 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 3gof h ASP 50 CO -0.17 0.51 0.13 0.24 -2.88 0.00 0.00 179.24 177.07 3gof h MET 51 N 0.57 0.96 -0.18 0.28 2.86 -0.68 -1.38 114.93 117.35 3gof h MET 51 Ca 0.15 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 3gof h MET 51 Cb 0.09 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3gof h MET 51 CO -0.02 0.89 -0.02 0.82 1.06 0.00 0.00 176.91 179.63 3gof h ILE 52 N 0.86 1.27 -0.54 -1.22 1.08 -1.19 -3.23 117.51 114.55 3gof h ILE 52 Ca 0.18 -0.95 0.06 0.00 -0.39 0.00 0.00 64.86 63.76 3gof h ILE 52 Cb 0.37 1.53 -0.03 0.00 -3.07 0.00 0.00 36.82 35.62 3gof h ILE 52 CO 0.01 0.28 0.36 -1.13 -0.69 0.00 0.00 178.15 176.98 3gof h ASN 53 N 0.07 0.45 -0.56 1.72 -1.24 -0.51 -1.47 115.58 114.03 3gof h ASN 53 Ca 0.05 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.05 3gof h ASN 53 Cb 0.44 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.37 3gof h ASN 53 CO 0.01 0.30 0.33 -0.33 -1.29 0.00 0.00 177.43 176.45 3gof h GLU 54 N 0.51 0.77 -0.05 6.67 5.08 -1.28 -3.03 114.58 123.25 3gof h GLU 54 Ca 0.23 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3gof h GLU 54 Cb 0.26 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3gof h GLU 54 CO -0.06 0.55 0.00 1.33 -1.00 0.00 0.00 179.01 179.83 3gof n VAL 55 N -4.41 0.17 -2.51 3.13 0.24 -0.91 -4.92 118.33 109.12 3gof n VAL 55 Ca 0.05 -0.58 -0.43 0.00 -2.04 0.00 0.00 64.34 61.34 3gof n VAL 55 Cb 0.08 1.06 -0.02 0.00 -1.47 0.00 0.00 33.84 33.49 3gof n VAL 55 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3gof s ASP 56 N -0.75 6.47 0.33 -1.34 2.15 -0.60 -4.85 116.67 118.08 3gof s ASP 56 Ca 0.11 0.50 0.24 0.00 0.43 0.00 0.00 52.55 53.83 3gof s ASP 56 Cb 0.07 -2.55 0.44 0.00 -0.30 0.00 0.00 42.92 40.58 3gof s ASP 56 CO 0.11 -1.38 1.58 0.00 -0.17 0.00 0.00 175.17 175.30 3gof h ALA 57 N 9.88 0.92 0.00 3.66 0.00 -1.88 -3.32 119.26 128.51 3gof h ALA 57 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3gof h ALA 57 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3gof h ALA 57 CO 1.13 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.98 3gof n ASP 58 N -2.76 1.53 -0.73 0.00 5.75 -1.26 -5.02 116.55 114.06 3gof n ASP 58 Ca 0.04 -1.71 -0.09 0.00 -0.01 0.00 0.00 54.79 53.01 3gof n ASP 58 Cb 0.50 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.55 3gof n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gof n GLY 59 N -0.36 1.05 0.39 6.12 0.00 -1.25 -4.88 105.19 106.26 3gof n GLY 59 Ca 0.00 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.53 3gof n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3gof n ASN 60 N 0.48 1.20 -0.16 1.61 6.94 -1.26 -4.94 115.26 119.13 3gof n ASN 60 Ca -0.09 -1.55 -0.02 0.00 -0.02 0.00 0.00 54.58 52.89 3gof n ASN 60 Cb 0.32 -0.05 -0.01 0.00 -2.36 0.00 0.00 39.78 37.68 3gof n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gof n GLY 61 N 1.07 0.53 3.16 4.83 0.00 -1.26 -5.01 105.19 108.51 3gof n GLY 61 Ca 0.17 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 3gof n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gof s THR 62 N -1.91 0.27 -0.18 2.61 -4.23 -1.26 -4.58 115.64 106.36 3gof s THR 62 Ca 0.00 -1.90 -0.01 0.00 -1.18 0.00 0.00 61.69 58.60 3gof s THR 62 Cb 0.00 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.91 3gof s THR 62 CO 0.00 -0.60 -0.13 -0.63 -0.54 0.00 0.00 174.62 172.72 3gof s ILE 63 N -3.93 2.72 0.60 2.99 1.01 -0.66 -4.79 121.20 119.15 3gof s ILE 63 Ca 0.20 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 60.15 3gof s ILE 63 Cb 0.07 -2.17 0.08 0.00 0.01 0.00 0.00 42.46 40.45 3gof s ILE 63 CO -0.01 0.50 0.83 1.51 0.00 0.00 0.00 174.94 177.77 3gof s ASP 64 N 1.09 4.94 0.15 3.58 1.47 -1.26 -0.60 116.67 126.03 3gof s ASP 64 Ca -0.00 -0.43 -0.17 0.00 1.18 0.00 0.00 52.55 53.14 3gof s ASP 64 Cb -0.14 -0.21 0.02 0.00 -0.34 0.00 0.00 42.92 42.24 3gof s ASP 64 CO -0.04 -1.41 1.79 0.15 0.68 0.00 0.00 175.17 176.34 3gof h PHE 65 N -0.04 0.40 -0.85 2.11 3.57 -2.00 -0.05 116.94 120.08 3gof h PHE 65 Ca -0.36 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.24 3gof h PHE 65 Cb 1.28 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.83 3gof h PHE 65 CO 0.18 0.23 0.55 -1.35 -2.23 0.00 0.00 178.31 175.70 3gof h PRO 66 N 0.43 0.83 -0.65 6.41 0.11 -1.95 0.12 132.00 137.31 3gof h PRO 66 Ca 0.14 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.13 3gof h PRO 66 Cb 0.00 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 30.90 3gof h PRO 66 CO -0.06 0.55 0.12 0.93 -0.21 0.00 0.00 178.00 179.33 3gof h GLU 67 N 0.86 1.05 -0.66 1.05 5.08 -1.74 -1.90 114.58 118.32 3gof h GLU 67 Ca 0.39 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3gof h GLU 67 Cb 0.36 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3gof h GLU 67 CO -0.15 0.95 0.18 0.35 -1.00 0.00 0.00 179.01 179.34 3gof h PHE 68 N 0.99 1.09 -0.25 4.33 3.57 -0.21 -2.31 116.94 124.15 3gof h PHE 68 Ca 0.20 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3gof h PHE 68 Cb 0.40 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3gof h PHE 68 CO 0.03 0.89 0.11 -0.07 -2.23 0.00 0.00 178.31 177.04 3gof h LEU 69 N 0.97 0.34 -0.27 0.59 3.38 -0.55 0.17 115.31 119.93 3gof h LEU 69 Ca 0.21 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3gof h LEU 69 Cb 0.34 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 3gof h LEU 69 CO -0.00 0.39 -0.13 0.74 0.09 0.00 0.00 178.44 179.53 3gof h THR 70 N 0.26 0.58 -0.14 0.22 2.02 -1.22 0.12 112.91 114.76 3gof h THR 70 Ca 0.08 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.30 3gof h THR 70 Cb 0.16 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 3gof h THR 70 CO -0.01 0.00 -0.06 -0.03 0.37 0.00 0.00 175.52 175.79 3gof h MET 71 N -0.10 -0.04 -0.46 6.66 1.85 -1.12 -2.69 114.93 119.03 3gof h MET 71 Ca 0.14 0.00 -0.12 0.00 -0.61 0.00 0.00 59.70 59.12 3gof h MET 71 Cb 0.31 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.34 3gof h MET 71 CO -0.34 -0.03 -0.18 0.52 -0.40 0.00 0.00 176.91 176.49 3gof h MET 72 N -0.04 0.93 -0.83 0.39 2.07 -0.30 -1.22 114.93 115.93 3gof h MET 72 Ca 0.07 -0.39 0.01 0.00 -2.07 0.00 0.00 59.70 57.33 3gof h MET 72 Cb 0.15 -0.03 -0.04 0.00 -1.87 0.00 0.00 31.60 29.80 3gof h MET 72 CO -0.16 1.05 0.54 0.00 1.07 0.00 0.00 176.91 179.41 3gof h ALA 73 N 0.85 1.06 -0.03 6.32 0.00 -0.74 -0.48 119.26 126.24 3gof h ALA 73 Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gof h ALA 73 Cb 0.75 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3gof h ALA 73 CO 0.06 0.43 0.02 -0.09 0.00 0.00 0.00 179.25 179.67 3gof h ARG 74 N 1.10 0.05 -0.71 0.00 2.43 -1.31 -2.99 114.38 112.94 3gof h ARG 74 Ca 0.31 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.52 3gof h ARG 74 Cb -0.09 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 3gof h ARG 74 CO -0.08 0.13 0.47 0.87 -1.51 0.00 0.00 179.97 179.85 3gof h LYS 75 N -0.05 0.78 -0.10 0.20 1.57 -0.84 -0.08 116.57 118.05 3gof h LYS 75 Ca 0.01 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 3gof h LYS 75 Cb 0.10 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3gof h LYS 75 CO -0.00 0.52 -0.25 0.52 -0.57 0.00 0.00 179.45 179.67 3gof h MET 76 N 0.81 0.17 -0.01 3.15 2.86 -0.95 -2.65 114.93 118.31 3gof h MET 76 Ca 0.29 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3gof h MET 76 Cb 0.14 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.79 3gof h MET 76 CO -0.09 0.42 -0.47 0.36 1.06 0.00 0.00 176.91 178.19 3gof n LYS 77 N -4.19 1.27 -0.90 1.72 2.85 -0.99 -4.95 118.16 112.98 3gof n LYS 77 Ca -0.01 -0.95 -0.30 0.00 -1.05 0.00 0.00 58.31 55.99 3gof n LYS 77 Cb 0.34 -1.45 0.15 0.00 -0.65 0.00 0.00 35.03 33.43 3gof n LYS 77 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3gof s ASP 78 N -2.40 3.15 -0.02 -5.58 2.15 -0.08 -5.04 116.67 108.86 3gof s ASP 78 Ca 0.17 1.90 -0.01 0.00 0.43 0.00 0.00 52.55 55.05 3gof s ASP 78 Cb 0.17 -2.46 -0.00 0.00 -0.30 0.00 0.00 42.92 40.33 3gof s ASP 78 CO 0.55 -2.91 0.11 0.74 -0.17 0.00 0.00 175.17 173.49 3gof h THR 79 N -1.73 0.00 0.00 1.71 2.02 -1.91 -3.49 112.91 109.51 3gof h THR 79 Ca -0.47 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.55 3gof h THR 79 Cb 1.27 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3gof h THR 79 CO 0.47 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.83 3gof n ASP 80 N -2.54 0.00 -4.86 4.18 8.00 -1.26 -4.81 116.55 115.26 3gof n ASP 80 Ca -0.00 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 3gof n ASP 80 Cb 0.01 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 3gof n ASP 80 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3gof s SER 81 N 0.00 6.58 0.28 -2.24 1.04 -1.26 -4.91 113.70 113.19 3gof s SER 81 Ca 0.00 1.33 0.00 0.00 0.48 0.00 0.00 55.95 57.76 3gof s SER 81 Cb 0.00 -2.40 0.51 0.00 0.10 0.00 0.00 66.02 64.23 3gof s SER 81 CO 0.00 -0.47 1.85 -0.33 0.98 0.00 0.00 173.24 175.28 3gof h GLU 82 N 1.18 1.02 -0.53 4.02 5.08 -1.99 -1.28 114.58 122.07 3gof h GLU 82 Ca -0.47 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 57.81 3gof h GLU 82 Cb 1.19 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 3gof h GLU 82 CO 0.63 0.68 0.27 1.49 -1.00 0.00 0.00 179.01 181.08 3gof h GLU 83 N 1.05 0.76 -0.58 2.33 4.81 -1.99 0.10 114.58 121.05 3gof h GLU 83 Ca 0.48 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 3gof h GLU 83 Cb 0.39 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3gof h GLU 83 CO -0.23 0.61 0.30 0.93 -0.73 0.00 0.00 179.01 179.89 3gof h GLU 84 N 0.71 0.82 -0.14 1.92 5.08 -1.77 -0.89 114.58 120.32 3gof h GLU 84 Ca 0.19 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3gof h GLU 84 Cb 0.09 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3gof h GLU 84 CO -0.03 0.65 0.05 0.82 -1.00 0.00 0.00 179.01 179.50 3gof h ILE 85 N 0.79 1.17 -0.25 3.13 2.04 -0.92 -0.27 117.51 123.20 3gof h ILE 85 Ca 0.20 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.58 3gof h ILE 85 Cb 0.08 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 3gof h ILE 85 CO -0.03 0.16 0.05 -0.09 0.00 0.00 0.00 178.15 178.24 3gof h ARG 86 N 0.06 0.14 -0.64 2.37 2.43 -0.86 -0.33 114.38 117.55 3gof h ARG 86 Ca 0.05 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3gof h ARG 86 Cb 0.20 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 3gof h ARG 86 CO -0.00 0.09 0.41 0.93 -1.51 0.00 0.00 179.97 179.89 3gof h GLU 87 N 0.14 0.80 -0.67 0.20 5.08 -1.07 -2.14 114.58 116.92 3gof h GLU 87 Ca 0.11 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 3gof h GLU 87 Cb 0.11 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 3gof h GLU 87 CO -0.15 0.53 0.12 0.00 -1.00 0.00 0.00 179.01 178.51 3gof h ALA 88 N 1.25 0.95 -0.79 3.43 0.00 -0.72 -2.75 119.26 120.62 3gof h ALA 88 Ca 0.24 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3gof h ALA 88 Cb -0.05 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 3gof h ALA 88 CO -0.07 0.66 0.51 0.35 0.00 0.00 0.00 179.25 180.69 3gof h PHE 89 N 1.03 0.95 -0.20 0.00 3.57 -0.61 -2.22 116.94 119.46 3gof h PHE 89 Ca 0.21 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 3gof h PHE 89 Cb 0.42 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3gof h PHE 89 CO 0.03 0.54 0.00 -0.09 -2.23 0.00 0.00 178.31 176.56 3gof h ARG 90 N 0.98 0.28 -0.88 1.11 2.43 -1.12 -0.41 114.38 116.78 3gof h ARG 90 Ca 0.32 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.46 3gof h ARG 90 Cb 0.02 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 3gof h ARG 90 CO -0.12 0.31 0.58 0.28 -1.51 0.00 0.00 179.97 179.51 3gof h VAL 91 N 0.28 1.21 0.15 0.20 2.07 -1.19 -3.19 116.25 115.77 3gof h VAL 91 Ca 0.07 -0.40 -0.31 0.00 0.82 0.00 0.00 66.70 66.87 3gof h VAL 91 Cb 0.19 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 3gof h VAL 91 CO 0.00 0.21 -1.59 -0.26 0.02 0.00 0.00 177.57 175.96 3gof h PHE 92 N 1.17 0.57 -0.34 1.57 0.04 -1.30 -3.41 116.94 115.23 3gof h PHE 92 Ca 0.33 -0.41 -0.70 0.00 2.80 0.00 0.00 57.97 59.99 3gof h PHE 92 Cb -0.11 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 37.96 3gof h PHE 92 CO -0.00 1.62 2.77 -3.47 -0.60 0.00 0.00 178.31 178.63 3gof n ASP 93 N -3.76 4.29 -0.26 2.17 2.03 -0.25 -4.72 116.55 116.05 3gof n ASP 93 Ca -0.25 -2.87 -0.07 0.00 0.52 0.00 0.00 54.79 52.12 3gof n ASP 93 Cb 0.98 -1.69 0.06 0.00 -0.72 0.00 0.00 41.12 39.75 3gof n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3gof h LYS 94 N 6.63 1.15 -0.13 -0.67 1.79 -1.80 -1.98 116.57 121.57 3gof h LYS 94 Ca 0.52 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 3gof h LYS 94 Cb 0.73 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 3gof h LYS 94 CO 1.72 0.99 0.00 -0.40 -1.08 0.00 0.00 179.45 180.68 3gof n ASP 95 N -4.24 1.04 -1.12 0.86 5.68 -1.26 -4.91 116.55 112.60 3gof n ASP 95 Ca 0.06 -1.69 -0.14 0.00 -0.50 0.00 0.00 54.79 52.51 3gof n ASP 95 Cb 0.24 -0.08 -0.06 0.00 -1.14 0.00 0.00 41.12 40.08 3gof n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gof n GLY 96 N 0.96 1.42 0.50 6.12 0.00 -0.74 -4.89 105.19 108.56 3gof n GLY 96 Ca 0.13 -0.35 0.14 0.00 0.00 0.00 0.00 46.02 45.94 3gof n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3gof n ASN 97 N -0.33 1.56 0.00 1.61 6.94 -1.26 -4.92 115.26 118.86 3gof n ASN 97 Ca -0.14 -1.53 0.00 0.00 -0.02 0.00 0.00 54.58 52.88 3gof n ASN 97 Cb 0.48 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.89 3gof n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gof n GLY 98 N 1.18 0.75 3.11 4.83 0.00 -1.26 -5.04 105.19 108.76 3gof n GLY 98 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 3gof n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gof s TYR 99 N -2.59 1.10 -0.32 1.61 2.02 -1.26 -3.49 117.35 114.41 3gof s TYR 99 Ca 0.00 -0.30 -0.16 0.00 -0.37 0.00 0.00 57.07 56.24 3gof s TYR 99 Cb 0.00 -0.67 -0.02 0.00 -0.40 0.00 0.00 41.96 40.87 3gof s TYR 99 CO 0.00 0.01 0.40 0.42 -1.57 0.00 0.00 175.55 174.80 3gof s ILE 100 N -0.68 5.14 0.55 2.71 1.01 0.12 -4.69 121.20 125.36 3gof s ILE 100 Ca 0.02 0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.87 3gof s ILE 100 Cb -0.07 -3.81 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 3gof s ILE 100 CO 0.01 -0.04 0.86 -0.94 0.00 0.00 0.00 174.94 174.82 3gof s SER 101 N 1.71 5.87 0.28 3.58 1.04 -1.26 -1.02 113.70 123.90 3gof s SER 101 Ca 0.14 0.81 0.02 0.00 0.48 0.00 0.00 55.95 57.40 3gof s SER 101 Cb -0.16 -1.93 0.59 0.00 0.10 0.00 0.00 66.02 64.62 3gof s SER 101 CO 0.11 -0.87 1.80 0.00 0.98 0.00 0.00 173.24 175.27 3gof h ALA 102 N -0.02 1.49 -0.66 5.32 0.00 -1.95 -1.06 119.26 122.37 3gof h ALA 102 Ca -0.46 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 3gof h ALA 102 Cb 1.23 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3gof h ALA 102 CO 0.61 0.08 0.21 0.00 0.00 0.00 0.00 179.25 180.16 3gof h ALA 103 N 1.56 0.87 -0.35 0.00 0.00 -1.95 0.19 119.26 119.58 3gof h ALA 103 Ca 0.51 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3gof h ALA 103 Cb 0.62 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3gof h ALA 103 CO -0.31 0.54 0.09 0.93 0.00 0.00 0.00 179.25 180.49 3gof h GLU 104 N 0.96 0.57 -0.50 0.00 5.08 -1.77 -0.69 114.58 118.23 3gof h GLU 104 Ca 0.21 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 3gof h GLU 104 Cb 0.29 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3gof h GLU 104 CO -0.01 0.61 -0.00 1.25 -1.00 0.00 0.00 179.01 179.86 3gof h LEU 105 N 0.42 0.86 -0.79 1.33 5.85 -0.88 -1.82 115.31 120.28 3gof h LEU 105 Ca 0.11 -0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.56 3gof h LEU 105 Cb 0.30 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 3gof h LEU 105 CO 0.00 0.96 0.50 -0.09 -0.34 0.00 0.00 178.44 179.47 3gof h ARG 106 N 0.74 0.93 -0.22 1.25 2.43 -0.50 -1.28 114.38 117.73 3gof h ARG 106 Ca 0.14 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3gof h ARG 106 Cb 0.52 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3gof h ARG 106 CO 0.03 0.62 0.13 1.25 -1.51 0.00 0.00 179.97 180.48 3gof h HIS 107 N 0.96 0.29 -0.21 2.20 2.76 -0.85 0.17 115.15 120.46 3gof h HIS 107 Ca 0.32 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.51 3gof h HIS 107 Cb 0.04 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 28.89 3gof h HIS 107 CO -0.03 0.24 0.08 0.28 -1.30 0.00 0.00 177.93 177.19 3gof h VAL 108 N 0.26 0.95 -0.62 5.26 2.07 -0.98 -1.21 116.25 121.98 3gof h VAL 108 Ca 0.08 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3gof h VAL 108 Cb 0.04 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3gof h VAL 108 CO -0.01 0.03 0.35 0.24 0.02 0.00 0.00 177.57 178.20 3gof h MET 109 N 0.18 0.86 -0.57 1.57 2.07 -0.90 -0.97 114.93 117.17 3gof h MET 109 Ca 0.09 -0.10 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 3gof h MET 109 Cb 0.06 -0.17 -0.03 0.00 -1.87 0.00 0.00 31.60 29.59 3gof h MET 109 CO -0.09 0.65 0.37 1.15 1.07 0.00 0.00 176.91 180.06 3gof h THR 110 N 0.84 1.15 -0.22 2.22 2.02 -0.52 -0.56 112.91 117.84 3gof h THR 110 Ca 0.22 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 3gof h THR 110 Cb 0.03 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 3gof h THR 110 CO -0.04 0.15 0.01 0.78 0.37 0.00 0.00 175.52 176.79 3gof h ASN 111 N 0.77 0.29 1.04 4.18 4.21 -0.72 -1.30 115.58 124.05 3gof h ASN 111 Ca 0.21 -0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.68 3gof h ASN 111 Cb -0.07 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.05 3gof h ASN 111 CO -0.04 0.34 0.00 0.18 -1.29 0.00 0.00 177.43 176.62 3gof n LEU 112 N -4.37 0.64 0.00 1.61 4.77 -0.41 -4.87 117.00 114.37 3gof n LEU 112 Ca 0.00 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 3gof n LEU 112 Cb 0.18 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3gof n LEU 112 CO 0.37 -0.35 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 3gof n GLY 113 N 0.63 0.91 3.05 -0.72 0.00 -0.49 -4.80 105.19 103.78 3gof n GLY 113 Ca 0.04 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 3gof n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gof s GLU 114 N -0.31 2.08 -0.37 1.61 2.56 -0.26 -5.01 118.70 119.00 3gof s GLU 114 Ca 0.00 -2.25 -0.26 0.00 0.00 0.00 0.00 54.97 52.47 3gof s GLU 114 Cb 0.00 -3.50 0.01 0.00 2.00 0.00 0.00 34.13 32.65 3gof s GLU 114 CO 0.00 -1.09 0.91 0.15 -0.56 0.00 0.00 175.26 174.67 3gof s LYS 115 N 0.38 3.84 0.17 4.30 1.02 -1.26 -3.38 119.74 124.80 3gof s LYS 115 Ca 0.14 0.56 0.05 0.00 0.02 0.00 0.00 55.97 56.74 3gof s LYS 115 Cb -0.22 -3.80 -0.04 0.00 -0.52 0.00 0.00 37.83 33.25 3gof s LYS 115 CO -0.04 -0.93 0.15 -0.51 -0.92 0.00 0.00 175.35 173.10 3gof s LEU 116 N 3.43 3.82 0.77 3.17 1.43 -1.26 -5.08 118.68 124.96 3gof s LEU 116 Ca 0.37 -0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.23 3gof s LEU 116 Cb -0.12 -2.42 0.05 0.00 0.03 0.00 0.00 46.19 43.73 3gof s LEU 116 CO 0.18 0.06 1.10 0.42 0.23 0.00 0.00 176.35 178.33 3gof s THR 117 N -1.79 3.21 0.32 5.49 -4.23 -1.26 -4.89 115.64 112.49 3gof s THR 117 Ca 0.31 0.39 0.01 0.00 -1.18 0.00 0.00 61.69 61.22 3gof s THR 117 Cb -0.10 -3.20 0.27 0.00 1.34 0.00 0.00 72.50 70.82 3gof s THR 117 CO 0.24 -0.51 1.97 0.44 -0.54 0.00 0.00 174.62 176.21 3gof h ASP 118 N -0.97 0.84 -0.60 3.99 5.19 -1.99 -1.36 116.42 121.51 3gof h ASP 118 Ca -0.46 -0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 55.84 3gof h ASP 118 Cb 1.26 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.55 3gof h ASP 118 CO 0.60 0.59 0.01 -0.33 -3.12 0.00 0.00 179.24 176.99 3gof h GLU 119 N 0.98 1.06 -0.51 3.56 3.07 -1.99 -1.01 114.58 119.74 3gof h GLU 119 Ca 0.30 -0.33 -0.10 0.00 -0.50 0.00 0.00 59.36 58.72 3gof h GLU 119 Cb -0.01 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.78 3gof h GLU 119 CO -0.08 1.03 -0.08 0.93 -1.40 0.00 0.00 179.01 179.42 3gof h GLU 120 N 0.97 0.96 -0.38 2.33 5.08 -1.72 -1.20 114.58 120.62 3gof h GLU 120 Ca 0.17 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 3gof h GLU 120 Cb 0.55 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3gof h GLU 120 CO 0.03 1.01 0.08 0.28 -1.00 0.00 0.00 179.01 179.41 3gof h VAL 121 N 0.82 1.23 -0.95 3.13 2.07 -1.07 -2.32 116.25 119.16 3gof h VAL 121 Ca 0.14 -0.82 0.03 0.00 0.82 0.00 0.00 66.70 66.87 3gof h VAL 121 Cb 0.63 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 3gof h VAL 121 CO 0.04 0.28 0.63 0.44 0.02 0.00 0.00 177.57 178.98 3gof h ASP 122 N 0.47 1.05 -0.56 0.57 3.32 -0.96 -1.75 116.42 118.56 3gof h ASP 122 Ca 0.12 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 3gof h ASP 122 Cb 0.34 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3gof h ASP 122 CO 0.00 0.73 0.00 -0.08 -1.72 0.00 0.00 179.24 178.18 3gof h GLU 123 N 1.22 0.99 -0.63 3.56 4.57 -1.00 -1.03 114.58 122.26 3gof h GLU 123 Ca 0.37 -0.31 0.05 0.00 -1.18 0.00 0.00 59.36 58.29 3gof h GLU 123 Cb -0.03 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.41 3gof h GLU 123 CO -0.10 0.99 0.35 0.52 -1.18 0.00 0.00 179.01 179.58 3gof h MET 124 N 0.88 0.63 -0.73 1.92 2.86 -1.01 -2.35 114.93 117.14 3gof h MET 124 Ca 0.16 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 3gof h MET 124 Cb 0.54 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 3gof h MET 124 CO 0.03 0.42 0.27 0.82 1.06 0.00 0.00 176.91 179.51 3gof h ILE 125 N 0.65 1.25 -0.01 -1.22 1.08 -0.97 -2.31 117.51 115.99 3gof h ILE 125 Ca 0.28 -0.82 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 3gof h ILE 125 Cb 0.16 0.42 -0.00 0.00 -3.07 0.00 0.00 36.82 34.33 3gof h ILE 125 CO -0.17 0.33 0.01 0.03 -0.69 0.00 0.00 178.15 177.66 3gof h ARG 126 N 1.06 0.00 0.00 2.37 3.08 -0.68 0.43 114.38 120.64 3gof h ARG 126 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3gof h ARG 126 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3gof h ARG 126 CO -0.02 0.00 0.00 0.93 -1.07 0.00 0.00 179.97 179.81 3gof h GLU 127 N 0.00 0.00 0.00 0.04 5.08 -1.06 -3.31 114.58 115.34 3gof h GLU 127 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3gof h GLU 127 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3gof h GLU 127 CO -0.00 0.00 -0.92 0.00 -1.00 0.00 0.00 179.01 177.09 3gof n ALA 128 N -1.89 1.93 -1.89 3.43 0.00 -0.58 -4.94 120.51 116.58 3gof n ALA 128 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 3gof n ALA 128 Cb 0.24 0.27 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 3gof n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gof s ASP 129 N -3.01 6.56 -0.10 0.00 2.15 0.04 -4.77 116.67 117.54 3gof s ASP 129 Ca 0.00 2.68 -0.01 0.00 0.43 0.00 0.00 52.55 55.65 3gof s ASP 129 Cb 0.00 -2.61 -0.06 0.00 -0.30 0.00 0.00 42.92 39.95 3gof s ASP 129 CO 0.00 -0.82 -0.10 -0.38 -0.17 0.00 0.00 175.17 173.70 3gof n ILE 130 N 3.39 0.58 1.38 4.11 5.41 -1.26 -4.68 119.36 128.29 3gof n ILE 130 Ca 0.12 -0.20 0.14 0.00 1.00 0.00 0.00 62.75 63.80 3gof n ILE 130 Cb 0.39 -1.10 0.54 0.00 -0.71 0.00 0.00 39.64 38.76 3gof n ILE 130 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3gof n ASP 131 N -3.01 0.72 0.00 4.38 5.75 -1.26 -4.93 116.55 118.20 3gof n ASP 131 Ca -0.19 -0.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.82 3gof n ASP 131 Cb 0.68 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.77 3gof n ASP 131 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gof n GLY 132 N 1.28 0.52 0.00 6.12 0.00 -1.26 -4.94 105.19 106.91 3gof n GLY 132 Ca 0.14 -0.38 0.15 0.00 0.00 0.00 0.00 46.02 45.93 3gof n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gof n ASP 133 N 0.70 0.00 -0.15 1.61 5.75 -1.26 -4.90 116.55 118.30 3gof n ASP 133 Ca 0.00 -0.85 -0.02 0.00 -0.01 0.00 0.00 54.79 53.91 3gof n ASP 133 Cb 0.00 -0.04 -0.01 0.00 -1.03 0.00 0.00 41.12 40.04 3gof n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gof n GLY 134 N 1.00 0.54 3.13 6.12 0.00 -1.26 -5.03 105.19 109.70 3gof n GLY 134 Ca 0.22 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 3gof n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gof s GLN 135 N -1.65 0.81 -0.30 1.61 -0.21 -1.26 -4.22 119.66 114.43 3gof s GLN 135 Ca 0.00 -1.36 -0.01 0.00 0.02 0.00 0.00 55.36 54.01 3gof s GLN 135 Cb 0.00 0.20 0.06 0.00 1.00 0.00 0.00 33.01 34.27 3gof s GLN 135 CO 0.00 -0.19 -0.00 0.08 -2.12 0.00 0.00 175.29 173.06 3gof s VAL 136 N -3.97 2.81 0.88 1.09 1.01 -0.19 -4.64 120.40 117.38 3gof s VAL 136 Ca 0.17 -1.55 -0.15 0.00 0.00 0.00 0.00 61.98 60.46 3gof s VAL 136 Cb 0.08 -2.68 0.20 0.00 0.00 0.00 0.00 36.38 33.98 3gof s VAL 136 CO -0.03 -0.17 1.11 -0.46 0.00 0.00 0.00 175.10 175.55 3gof n ASN 137 N 4.56 -0.26 -0.01 3.32 0.23 -1.26 0.13 115.26 121.97 3gof n ASN 137 Ca -0.11 -1.35 -0.11 0.00 -0.53 0.00 0.00 54.58 52.47 3gof n ASN 137 Cb 0.43 -0.87 0.03 0.00 -2.08 0.00 0.00 39.78 37.29 3gof n ASN 137 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 3gof h TYR 138 N -1.82 0.79 -0.58 -2.53 3.20 -1.99 -1.29 116.97 112.75 3gof h TYR 138 Ca -0.37 -0.28 -0.09 0.00 3.14 0.00 0.00 58.73 61.13 3gof h TYR 138 Cb 1.03 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 3gof h TYR 138 CO 0.00 1.04 0.01 1.49 -1.64 0.00 0.00 178.16 179.06 3gof h GLU 139 N 0.47 1.01 -0.37 1.82 4.81 -1.94 0.46 114.58 120.85 3gof h GLU 139 Ca 0.01 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3gof h GLU 139 Cb 1.13 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 3gof h GLU 139 CO 0.11 1.00 0.24 0.93 -0.73 0.00 0.00 179.01 180.56 3gof h GLU 140 N 0.91 0.50 -0.23 1.92 5.08 -1.85 -0.76 114.58 120.14 3gof h GLU 140 Ca 0.17 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3gof h GLU 140 Cb 0.54 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3gof h GLU 140 CO 0.03 0.35 0.13 0.35 -1.00 0.00 0.00 179.01 178.86 3gof h PHE 141 N 0.50 0.31 -0.53 4.33 3.57 -0.71 -1.16 116.94 123.25 3gof h PHE 141 Ca 0.14 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.72 3gof h PHE 141 Cb -0.03 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.53 3gof h PHE 141 CO -0.05 0.26 0.12 0.28 -2.23 0.00 0.00 178.31 176.69 3gof h VAL 142 N 0.27 0.71 -0.81 1.41 2.07 -0.78 -0.69 116.25 118.44 3gof h VAL 142 Ca 0.08 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 3gof h VAL 142 Cb 0.05 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 3gof h VAL 142 CO -0.01 0.05 0.35 -0.61 0.02 0.00 0.00 177.57 177.36 3gof h GLN 143 N 0.26 1.19 -0.38 1.57 4.15 -0.72 0.51 115.11 121.68 3gof h GLN 143 Ca 0.27 -0.20 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 3gof h GLN 143 Cb 0.36 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 3gof h GLN 143 CO -0.34 0.94 0.23 1.98 -1.93 0.00 0.00 178.83 179.71 3gof h MET 144 N 1.16 0.53 0.00 1.69 4.05 -0.80 -3.02 114.93 118.53 3gof h MET 144 Ca 0.27 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.64 3gof h MET 144 Cb 0.18 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 3gof h MET 144 CO -0.03 0.40 0.00 0.52 0.23 0.00 0.00 176.91 178.03 3gof h MET 145 N 0.50 0.00 -0.01 0.39 2.86 -0.40 -3.52 114.93 114.76 3gof h MET 145 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3gof h MET 145 Cb 0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 3gof h MET 145 CO -0.02 0.00 0.00 2.41 1.06 0.00 0.00 176.91 180.36