#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0g s GLU 7 N 0.00 2.20 -0.24 -1.08 2.56 -1.26 -4.89 118.70 115.99 3h0g s GLU 7 Ca 0.00 -1.79 0.23 0.00 0.00 0.00 0.00 54.97 53.41 3h0g s GLU 7 Cb 0.00 -3.71 0.50 0.00 2.00 0.00 0.00 34.13 32.92 3h0g s GLU 7 CO 0.00 -1.11 1.13 0.39 -0.56 0.00 0.00 175.26 175.11 3h0g n GLU 8 N 4.72 1.57 -0.40 4.30 -0.58 -1.26 -4.87 120.64 124.12 3h0g n GLU 8 Ca -0.05 -3.28 0.00 0.00 -0.42 0.00 0.00 57.16 53.42 3h0g n GLU 8 Cb 0.41 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 3h0g n GLU 8 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3h0g n ASP 9 N -0.55 0.00 0.00 1.62 5.75 -1.26 -5.08 116.55 117.03 3h0g n ASP 9 Ca 0.06 -0.91 0.00 0.00 -0.01 0.00 0.00 54.79 53.93 3h0g n ASP 9 Cb 0.83 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.92 3h0g n ASP 9 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h0g n ALA 10 N -3.00 2.92 -0.94 2.12 0.00 -1.26 -4.95 120.51 115.41 3h0g n ALA 10 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3h0g n ALA 10 Cb 0.00 0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.79 3h0g n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h0g n ALA 11 N -2.83 -3.11 -0.60 0.00 0.00 -1.26 -4.30 120.51 108.42 3h0g n ALA 11 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3h0g n ALA 11 Cb 0.38 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3h0g n ALA 11 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3h0g n GLN 12 N -2.93 0.00 -2.92 0.00 -0.06 -1.26 -4.84 117.38 105.37 3h0g n GLN 12 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.91 3h0g n GLN 12 Cb 0.61 -1.71 0.01 0.00 -4.06 0.00 0.00 30.24 25.09 3h0g n GLN 12 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 3h0g n LEU 13 N 0.00 -7.09 -3.54 1.69 4.77 -1.26 -4.97 117.00 106.60 3h0g n LEU 13 Ca 0.00 0.68 -0.17 0.00 -0.03 0.00 0.00 56.01 56.49 3h0g n LEU 13 Cb 0.00 -3.08 -0.06 0.00 -2.33 0.00 0.00 43.42 37.95 3h0g n LEU 13 CO 0.00 -2.26 0.40 -0.54 -1.33 0.00 0.00 177.39 173.66 3h0g s LYS 14 N -2.25 1.02 0.00 3.23 -0.14 -1.26 -5.14 119.74 115.20 3h0g s LYS 14 Ca 0.19 0.25 0.00 0.00 -1.36 0.00 0.00 55.97 55.04 3h0g s LYS 14 Cb -0.04 0.48 0.00 0.00 -1.68 0.00 0.00 37.83 36.58 3h0g s LYS 14 CO 0.75 -0.31 0.00 1.28 -0.76 0.00 0.00 175.35 176.31 3h0g n LEU 15 N 1.00 0.00 -1.91 3.17 4.77 -1.26 -4.73 117.00 118.04 3h0g n LEU 15 Ca -0.19 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.57 3h0g n LEU 15 Cb 0.57 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.64 3h0g n LEU 15 CO 0.23 0.00 0.03 0.61 -1.33 0.00 0.00 177.39 176.94 3h0g n GLY 16 N 0.00 -0.66 0.09 -0.72 0.00 -1.26 -4.80 105.19 97.83 3h0g n GLY 16 Ca 0.00 0.18 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 3h0g n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h0g h PRO 17 N 0.57 0.11 -0.25 1.61 0.13 -1.98 -2.64 132.00 129.54 3h0g h PRO 17 Ca -0.14 -0.16 0.02 0.00 -0.87 0.00 0.00 66.00 64.85 3h0g h PRO 17 Cb 0.62 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 3h0g h PRO 17 CO 0.25 1.02 0.11 0.93 -0.23 0.00 0.00 178.00 180.08 3h0g h GLU 18 N -0.73 0.23 -0.70 0.86 5.08 -1.99 -0.13 114.58 117.21 3h0g h GLU 18 Ca -0.04 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3h0g h GLU 18 Cb 1.13 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 3h0g h GLU 18 CO 0.05 0.16 0.37 0.74 -1.00 0.00 0.00 179.01 179.32 3h0g h PHE 19 N 0.24 0.97 -0.40 4.33 0.04 -1.94 -0.86 116.94 119.33 3h0g h PHE 19 Ca 0.10 -0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.88 3h0g h PHE 19 Cb 0.04 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 37.84 3h0g h PHE 19 CO -0.10 0.70 0.17 0.93 -0.60 0.00 0.00 178.31 179.40 3h0g h GLU 20 N 0.96 0.34 -0.38 1.51 5.08 -1.06 -2.50 114.58 118.54 3h0g h GLU 20 Ca 0.24 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.62 3h0g h GLU 20 Cb 0.06 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3h0g h GLU 20 CO -0.04 0.22 0.17 -0.91 -1.00 0.00 0.00 179.01 177.46 3h0g h ASN 21 N 0.35 0.24 -4.12 1.42 2.35 -0.53 -3.43 115.58 111.86 3h0g h ASN 21 Ca 0.18 0.02 -0.54 0.00 -0.55 0.00 0.00 56.30 55.42 3h0g h ASN 21 Cb 0.13 -0.02 0.19 0.00 0.05 0.00 0.00 38.32 38.67 3h0g h ASN 21 CO -0.16 0.18 0.25 1.21 -1.65 0.00 0.00 177.43 177.27 3h0g n GLU 22 N -4.95 0.12 -3.65 0.81 2.13 -0.37 -4.99 120.64 109.74 3h0g n GLU 22 Ca 0.01 0.12 -0.36 0.00 0.66 0.00 0.00 57.16 57.59 3h0g n GLU 22 Cb 0.10 -2.38 -0.09 0.00 0.27 0.00 0.00 31.44 29.34 3h0g n GLU 22 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 3h0g s ASP 23 N -2.12 6.17 -0.17 4.31 1.47 -1.26 -4.86 116.67 120.21 3h0g s ASP 23 Ca 0.72 0.18 -0.29 0.00 1.18 0.00 0.00 52.55 54.34 3h0g s ASP 23 Cb -0.29 -2.11 -0.04 0.00 -0.34 0.00 0.00 42.92 40.14 3h0g s ASP 23 CO 0.52 0.08 1.70 -0.04 0.68 0.00 0.00 175.17 178.11 3h0g s MET 24 N 0.92 3.83 0.62 2.11 -1.94 -1.26 -4.97 119.30 118.60 3h0g s MET 24 Ca 0.09 1.85 -0.18 0.00 -1.71 0.00 0.00 55.69 55.74 3h0g s MET 24 Cb -0.13 -4.07 -0.02 0.00 2.01 0.00 0.00 34.83 32.62 3h0g s MET 24 CO 0.03 -1.27 1.22 -0.51 -0.01 0.00 0.00 175.02 174.49 3h0g s LEU 25 N 5.23 3.60 0.71 -0.03 1.43 -1.26 -4.58 118.68 123.78 3h0g s LEU 25 Ca 0.76 2.42 -0.11 0.00 -1.03 0.00 0.00 54.13 56.16 3h0g s LEU 25 Cb -0.28 -4.60 0.02 0.00 0.03 0.00 0.00 46.19 41.35 3h0g s LEU 25 CO 0.31 -1.74 1.10 0.42 0.23 0.00 0.00 176.35 176.66 3h0g s THR 26 N -1.62 3.44 -0.01 5.49 -4.23 -1.26 -4.91 115.64 112.54 3h0g s THR 26 Ca 0.78 0.47 -0.02 0.00 -1.18 0.00 0.00 61.69 61.74 3h0g s THR 26 Cb -0.31 -3.45 -0.01 0.00 1.34 0.00 0.00 72.50 70.07 3h0g s THR 26 CO 0.36 -0.61 0.38 0.58 -0.54 0.00 0.00 174.62 174.79 3h0g h VAL 27 N -0.68 0.00 -0.35 2.29 2.07 -1.89 -0.15 116.25 117.54 3h0g h VAL 27 Ca -0.45 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.05 3h0g h VAL 27 Cb 1.26 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 3h0g h VAL 27 CO 0.64 0.00 0.05 0.77 0.02 0.00 0.00 177.57 179.05 3h0g h SER 28 N -0.14 -0.02 -0.67 0.57 4.64 -1.92 0.01 113.55 116.03 3h0g h SER 28 Ca -0.01 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 3h0g h SER 28 Cb 0.04 0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 3h0g h SER 28 CO 0.01 0.03 0.38 -0.08 -0.87 0.00 0.00 176.83 176.30 3h0g h GLU 29 N 0.17 0.92 -0.32 4.77 4.22 -1.95 -0.45 114.58 121.94 3h0g h GLU 29 Ca 0.17 -0.10 0.04 0.00 0.08 0.00 0.00 59.36 59.55 3h0g h GLU 29 Cb 0.20 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 3h0g h GLU 29 CO -0.23 0.68 0.07 0.00 -2.18 0.00 0.00 179.01 177.35 3h0g h ALA 30 N 1.19 0.34 -0.69 2.92 0.00 -0.25 -0.35 119.26 122.42 3h0g h ALA 30 Ca 0.24 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3h0g h ALA 30 Cb 0.01 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3h0g h ALA 30 CO -0.04 -0.33 0.38 -0.22 0.00 0.00 0.00 179.25 179.03 3h0g h LYS 31 N 0.19 0.97 -0.32 0.00 3.64 -0.59 -0.45 116.57 120.01 3h0g h LYS 31 Ca 0.15 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 3h0g h LYS 31 Cb 0.15 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 3h0g h LYS 31 CO -0.18 0.73 0.10 0.82 -2.27 0.00 0.00 179.45 178.65 3h0g h ILE 32 N 0.95 0.90 -0.68 2.00 2.04 -0.53 -0.04 117.51 122.16 3h0g h ILE 32 Ca 0.24 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 3h0g h ILE 32 Cb 0.05 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3h0g h ILE 32 CO -0.04 0.04 0.38 -0.07 0.00 0.00 0.00 178.15 178.46 3h0g h LEU 33 N 0.24 0.84 -0.42 1.44 3.38 -0.65 -0.44 115.31 119.71 3h0g h LEU 33 Ca 0.14 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3h0g h LEU 33 Cb 0.12 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3h0g h LEU 33 CO -0.15 0.69 0.17 0.40 0.09 0.00 0.00 178.44 179.64 3h0g h ILE 34 N 0.93 0.91 -0.37 1.22 2.04 -0.56 -0.01 117.51 121.67 3h0g h ILE 34 Ca 0.24 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 66.01 3h0g h ILE 34 Cb 0.03 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 3h0g h ILE 34 CO -0.04 0.07 0.17 -0.33 0.00 0.00 0.00 178.15 178.02 3h0g h GLU 35 N 0.36 0.35 -0.38 2.37 5.08 -0.52 -0.87 114.58 120.97 3h0g h GLU 35 Ca 0.19 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 3h0g h GLU 35 Cb 0.14 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3h0g h GLU 35 CO -0.17 0.23 0.17 1.15 -1.00 0.00 0.00 179.01 179.40 3h0g h THR 36 N 0.36 0.96 -0.39 1.13 2.02 -0.56 -1.13 112.91 115.30 3h0g h THR 36 Ca 0.16 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.25 3h0g h THR 36 Cb 0.08 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 3h0g h THR 36 CO -0.12 0.07 0.19 0.58 0.37 0.00 0.00 175.52 176.60 3h0g h VAL 37 N 0.36 0.97 -0.69 3.16 2.07 -0.51 -1.75 116.25 119.85 3h0g h VAL 37 Ca 0.16 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 3h0g h VAL 37 Cb 0.09 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3h0g h VAL 37 CO -0.13 0.07 0.42 -0.07 0.02 0.00 0.00 177.57 177.88 3h0g h LEU 38 N 0.39 0.82 -1.05 2.57 3.38 -0.71 -1.87 115.31 118.84 3h0g h LEU 38 Ca 0.17 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3h0g h LEU 38 Cb 0.08 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3h0g h LEU 38 CO -0.12 0.64 0.64 0.00 0.09 0.00 0.00 178.44 179.68 3h0g h ALA 39 N 1.22 1.31 -0.27 1.53 0.00 -0.71 -0.26 119.26 122.09 3h0g h ALA 39 Ca 0.25 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 3h0g h ALA 39 Cb -0.04 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 3h0g h ALA 39 CO -0.05 0.64 -0.28 1.96 0.00 0.00 0.00 179.25 181.52 3h0g h GLN 40 N 1.31 0.53 -0.14 0.00 4.20 -0.85 -2.95 115.11 117.20 3h0g h GLN 40 Ca 0.35 -0.22 -0.10 0.00 0.06 0.00 0.00 58.65 58.75 3h0g h GLN 40 Cb -0.15 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.61 3h0g h GLN 40 CO -0.08 0.76 -0.31 0.00 -0.67 0.00 0.00 178.83 178.53 3h0g h ARG 41 N 0.46 0.45 -0.28 1.46 3.08 -0.65 -3.09 114.38 115.81 3h0g h ARG 41 Ca 0.06 -0.30 0.08 0.00 0.07 0.00 0.00 59.98 59.89 3h0g h ARG 41 Cb 0.72 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 3h0g h ARG 41 CO 0.06 0.91 0.23 0.00 -1.07 0.00 0.00 179.97 180.10 3h0g h ALA 42 N 0.54 2.13 -0.01 0.04 0.00 -1.02 -3.37 119.26 117.57 3h0g h ALA 42 Ca 0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 3h0g h ALA 42 Cb 0.91 0.02 0.09 0.00 0.00 0.00 0.00 17.79 18.81 3h0g h ALA 42 CO 0.07 -0.38 0.98 0.54 0.00 0.00 0.00 179.25 180.46 3h0g n ARG 43 N -4.18 0.01 0.00 0.00 5.12 -1.12 -1.73 116.66 114.76 3h0g n ARG 43 Ca 0.04 -0.79 0.00 0.00 -1.93 0.00 0.00 57.85 55.16 3h0g n ARG 43 Cb 0.39 -2.24 0.00 0.00 -1.16 0.00 0.00 32.46 29.45 3h0g n ARG 43 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3h0g n GLU 44 N 6.76 0.00 -4.49 5.56 1.02 -1.26 -5.08 120.64 123.15 3h0g n GLU 44 Ca 0.33 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 57.19 3h0g n GLU 44 Cb 0.39 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.68 3h0g n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3h0g s THR 45 N -0.85 2.06 0.18 2.62 2.01 -0.70 -5.04 115.64 115.92 3h0g s THR 45 Ca 0.00 -1.59 0.04 0.00 0.31 0.00 0.00 61.69 60.45 3h0g s THR 45 Cb 0.00 -1.82 -0.13 0.00 0.01 0.00 0.00 72.50 70.56 3h0g s THR 45 CO 0.00 0.12 1.41 -0.55 -0.69 0.00 0.00 174.62 174.91 3h0g h ASN 46 N 4.19 0.21 0.00 3.53 -1.07 -1.97 -3.49 115.58 116.97 3h0g h ASN 46 Ca -0.48 -0.16 0.00 0.00 0.07 0.00 0.00 56.30 55.72 3h0g h ASN 46 Cb 1.17 -0.06 0.00 0.00 -2.07 0.00 0.00 38.32 37.35 3h0g h ASN 46 CO 0.40 0.95 0.00 0.61 0.07 0.00 0.00 177.43 179.47 3h0g n GLY 47 N 0.80 3.84 0.00 9.14 0.00 -1.26 -5.10 105.19 112.61 3h0g n GLY 47 Ca -0.03 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.92 3h0g n GLY 47 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3h0g n GLU 48 N 0.00 0.00 -2.91 1.61 2.13 -1.26 -5.03 120.64 115.18 3h0g n GLU 48 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 3h0g n GLU 48 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.72 3h0g n GLU 48 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3h0g n ILE 49 N 0.00-10.71 -1.52 6.31 5.41 -1.26 -4.84 119.36 112.76 3h0g n ILE 49 Ca 0.00 0.72 -0.52 0.00 1.00 0.00 0.00 62.75 63.96 3h0g n ILE 49 Cb 0.00 -7.11 -0.05 0.00 -0.71 0.00 0.00 39.64 31.77 3h0g n ILE 49 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3h0g n PRO 50 N -0.49 0.58 -0.51 0.38 -0.04 -1.26 -4.86 135.00 128.80 3h0g n PRO 50 Ca 0.09 0.21 0.11 0.00 -0.04 0.00 0.00 63.50 63.87 3h0g n PRO 50 Cb 0.47 -1.61 0.35 0.00 -0.04 0.00 0.00 33.50 32.68 3h0g n PRO 50 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3h0g n MET 51 N 1.55 3.26 0.00 0.54 2.81 -1.26 -5.06 117.12 118.97 3h0g n MET 51 Ca 0.17 -2.81 0.00 0.00 -1.81 0.00 0.00 57.70 53.25 3h0g n MET 51 Cb 0.20 -1.75 0.00 0.00 -0.71 0.00 0.00 33.22 30.96 3h0g n MET 51 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3h0g n THR 52 N 1.43 0.00 -0.10 2.03 -2.24 -1.26 -2.71 114.28 111.44 3h0g n THR 52 Ca 0.26 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.92 3h0g n THR 52 Cb 0.77 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.87 3h0g n THR 52 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3h0g n ASP 53 N -3.53 1.29 -0.19 3.42 5.75 -1.26 -4.33 116.55 117.70 3h0g n ASP 53 Ca 0.00 -0.05 0.01 0.00 -0.01 0.00 0.00 54.79 54.74 3h0g n ASP 53 Cb 0.00 0.40 0.26 0.00 -1.03 0.00 0.00 41.12 40.74 3h0g n ASP 53 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 3h0g h VAL 54 N 0.00 1.19 0.31 2.12 2.07 -2.02 -2.87 116.25 117.04 3h0g h VAL 54 Ca -0.49 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 3h0g h VAL 54 Cb 1.97 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3h0g h VAL 54 CO -0.02 0.19 -0.15 0.24 0.02 0.00 0.00 177.57 177.85 3h0g h MET 55 N 0.97 -0.40 -0.32 1.57 2.86 -1.73 -2.65 114.93 115.23 3h0g h MET 55 Ca 0.26 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.97 3h0g h MET 55 Cb -0.09 0.09 -0.08 0.00 0.06 0.00 0.00 31.60 31.58 3h0g h MET 55 CO -0.05 -0.18 -0.53 0.87 1.06 0.00 0.00 176.91 178.08 3h0g h LYS 56 N -0.55 -0.43 -0.24 1.72 1.57 -1.66 0.31 116.57 117.28 3h0g h LYS 56 Ca -0.04 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 3h0g h LYS 56 Cb 0.41 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.74 3h0g h LYS 56 CO 0.07 -0.29 -0.47 0.87 -0.57 0.00 0.00 179.45 179.07 3h0g h LYS 57 N -0.45 -0.44 -0.28 3.15 1.57 -1.54 -1.41 116.57 117.17 3h0g h LYS 57 Ca 0.07 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.94 3h0g h LYS 57 Cb 0.62 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.97 3h0g h LYS 57 CO -0.54 -0.29 -0.10 1.79 -0.57 0.00 0.00 179.45 179.74 3h0g h THR 58 N -0.46 0.66 -1.02 -0.16 1.35 -1.03 0.40 112.91 112.66 3h0g h THR 58 Ca 0.08 0.00 0.25 0.00 -0.55 0.00 0.00 66.41 66.19 3h0g h THR 58 Cb 0.63 0.66 -0.09 0.00 -1.73 0.00 0.00 68.15 67.62 3h0g h THR 58 CO -0.48 0.00 0.65 0.58 -0.25 0.00 0.00 175.52 176.02 3h0g h VAL 59 N -0.04 0.56 0.09 6.82 2.07 0.39 0.74 116.25 126.88 3h0g h VAL 59 Ca 0.14 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 3h0g h VAL 59 Cb 0.25 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3h0g h VAL 59 CO -0.31 0.08 -0.04 0.00 0.02 0.00 0.00 177.57 177.32 3h0g h ALA 60 N 1.63 -0.12 -0.80 1.67 0.00 -0.16 -2.95 119.26 118.53 3h0g h ALA 60 Ca 0.58 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.43 3h0g h ALA 60 Cb 1.38 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.14 3h0g h ALA 60 CO -0.30 -0.12 0.45 1.88 0.00 0.00 0.00 179.25 181.16 3h0g h TYR 61 N -1.00 0.82 -0.40 0.00 0.05 -0.47 0.30 116.97 116.27 3h0g h TYR 61 Ca -0.01 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.81 3h0g h TYR 61 Cb 0.33 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.79 3h0g h TYR 61 CO 0.06 0.34 0.25 0.74 -1.05 0.00 0.00 178.16 178.51 3h0g h PHE 62 N 0.77 0.48 -0.04 4.88 0.04 0.36 -1.68 116.94 121.74 3h0g h PHE 62 Ca 0.38 0.01 -0.14 0.00 2.80 0.00 0.00 57.97 61.02 3h0g h PHE 62 Cb 0.34 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 3h0g h PHE 62 CO -0.07 0.29 -0.62 -0.91 -0.60 0.00 0.00 178.31 176.41 3h0g h ASN 63 N 0.52 0.18 0.02 2.17 2.35 -1.18 -2.26 115.58 117.37 3h0g h ASN 63 Ca 0.15 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3h0g h ASN 63 Cb -0.04 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.28 3h0g h ASN 63 CO -0.05 0.76 0.00 0.52 -1.65 0.00 0.00 177.43 177.01 3h0g n VAL 64 N -3.84 0.00 -1.81 2.81 0.31 0.97 -3.12 118.33 113.65 3h0g n VAL 64 Ca -0.02 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.34 3h0g n VAL 64 Cb 0.62 -0.53 0.04 0.00 -0.91 0.00 0.00 33.84 33.07 3h0g n VAL 64 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3h0g n PHE 65 N -1.01 0.00 -1.51 3.52 3.72 -0.67 -5.00 117.46 116.51 3h0g n PHE 65 Ca 0.23 -0.30 -0.17 0.00 -0.05 0.00 0.00 57.45 57.15 3h0g n PHE 65 Cb 0.11 -0.09 -0.12 0.00 -0.94 0.00 0.00 39.48 38.45 3h0g n PHE 65 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h0g n ALA 66 N -0.33 0.33 1.15 4.37 0.00 -0.88 -4.64 120.51 120.52 3h0g n ALA 66 Ca 0.05 -2.31 0.00 0.00 0.00 0.00 0.00 53.44 51.17 3h0g n ALA 66 Cb 0.72 -3.39 0.00 0.00 0.00 0.00 0.00 19.45 16.78 3h0g n ALA 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h0g n ARG 67 N 8.13 0.60 -2.69 0.00 1.74 -1.26 -3.53 116.66 119.65 3h0g n ARG 67 Ca 0.42 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.44 3h0g n ARG 67 Cb 0.47 -1.03 0.10 0.00 -1.02 0.00 0.00 32.46 30.98 3h0g n ARG 67 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3h0g n PHE 68 N -0.44 -1.36 -0.50 -1.55 3.72 -1.26 -4.90 117.46 111.17 3h0g n PHE 68 Ca 0.00 -1.27 -0.31 0.00 -0.05 0.00 0.00 57.45 55.82 3h0g n PHE 68 Cb 0.01 1.36 -0.08 0.00 -0.94 0.00 0.00 39.48 39.83 3h0g n PHE 68 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3h0g n LYS 69 N 0.31 0.00 -3.64 -1.08 5.02 -1.23 -4.56 118.16 112.98 3h0g n LYS 69 Ca -0.03 -0.76 -0.02 0.00 -2.02 0.00 0.00 58.31 55.47 3h0g n LYS 69 Cb 0.74 -2.18 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 3h0g n LYS 69 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3h0g s THR 70 N 5.99 0.00 -0.33 -0.18 -4.23 -1.26 -4.98 115.64 110.66 3h0g s THR 70 Ca 0.48 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 61.19 3h0g s THR 70 Cb 0.10 -1.00 0.23 0.00 1.34 0.00 0.00 72.50 73.17 3h0g s THR 70 CO 0.24 0.00 1.54 0.00 -0.54 0.00 0.00 174.62 175.86 3h0g h ALA 71 N 2.01 0.87 0.02 3.99 0.00 -2.02 -3.30 119.26 120.83 3h0g h ALA 71 Ca -0.04 -0.18 -0.33 0.00 0.00 0.00 0.00 54.91 54.36 3h0g h ALA 71 Cb 1.14 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 3h0g h ALA 71 CO 0.20 0.24 -1.98 0.39 0.00 0.00 0.00 179.25 178.10 3h0g n GLU 72 N -3.14 0.67 -0.23 0.00 1.02 -1.26 -4.16 120.64 113.53 3h0g n GLU 72 Ca 0.03 0.20 0.03 0.00 -0.02 0.00 0.00 57.16 57.41 3h0g n GLU 72 Cb 0.61 -1.69 0.14 0.00 -0.02 0.00 0.00 31.44 30.48 3h0g n GLU 72 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h0g h ALA 73 N 0.80 0.77 -0.27 0.62 0.00 -1.84 0.17 119.26 119.51 3h0g h ALA 73 Ca -0.39 0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3h0g h ALA 73 Cb 2.07 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 20.14 3h0g h ALA 73 CO 0.06 -0.38 0.10 1.79 0.00 0.00 0.00 179.25 180.82 3h0g h THR 74 N 0.17 0.94 -0.68 0.00 1.35 -1.74 -0.44 112.91 112.50 3h0g h THR 74 Ca 0.37 -0.08 -0.01 0.00 -0.55 0.00 0.00 66.41 66.15 3h0g h THR 74 Cb 0.63 0.69 -0.03 0.00 -1.73 0.00 0.00 68.15 67.71 3h0g h THR 74 CO -0.55 0.04 0.38 1.88 -0.25 0.00 0.00 175.52 177.03 3h0g h TYR 75 N 0.22 0.92 -0.41 4.73 0.05 -1.16 -0.42 116.97 120.90 3h0g h TYR 75 Ca 0.12 -0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.92 3h0g h TYR 75 Cb 0.08 -0.30 -0.04 0.00 1.01 0.00 0.00 36.73 37.49 3h0g h TYR 75 CO -0.13 0.65 0.17 0.00 -1.05 0.00 0.00 178.16 177.81 3h0g h ALA 76 N 1.19 0.50 -0.39 3.88 0.00 -0.26 -0.05 119.26 124.13 3h0g h ALA 76 Ca 0.24 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.22 3h0g h ALA 76 Cb 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3h0g h ALA 76 CO -0.04 -0.20 0.18 0.00 0.00 0.00 0.00 179.25 179.19 3h0g h GLU 78 N 0.37 0.36 -0.38 0.00 5.08 -0.55 -0.88 114.58 118.58 3h0g h GLU 78 Ca 0.17 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3h0g h GLU 78 Cb 0.09 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3h0g h GLU 78 CO -0.13 0.24 0.18 0.00 -1.00 0.00 0.00 179.01 178.30 3h0g h ARG 79 N 0.37 0.36 -0.37 2.33 3.08 -0.52 -2.53 114.38 117.10 3h0g h ARG 79 Ca 0.17 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.23 3h0g h ARG 79 Cb 0.09 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3h0g h ARG 79 CO -0.13 0.24 0.18 0.82 -1.07 0.00 0.00 179.97 180.00 3h0g h ILE 80 N 0.37 0.97 0.00 2.04 2.04 -0.59 -3.42 117.51 118.91 3h0g h ILE 80 Ca 0.16 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3h0g h ILE 80 Cb 0.08 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3h0g h ILE 80 CO -0.12 0.07 0.00 0.18 0.00 0.00 0.00 178.15 178.27 3h0g n LEU 81 N -4.94 0.00 0.00 1.44 4.77 -0.38 -4.97 117.00 112.91 3h0g n LEU 81 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3h0g n LEU 81 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3h0g n LEU 81 CO 0.30 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3h0g n GLY 82 N 2.02 1.22 3.63 -0.72 0.00 -1.25 -5.03 105.19 105.06 3h0g n GLY 82 Ca 0.00 -0.33 -0.51 0.00 0.00 0.00 0.00 46.02 45.18 3h0g n GLY 82 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h0g n ASN 83 N 0.00 2.87 0.00 1.61 3.02 -1.26 -4.91 115.26 116.59 3h0g n ASN 83 Ca 0.00 0.83 0.00 0.00 -0.03 0.00 0.00 54.58 55.38 3h0g n ASN 83 Cb 0.00 -1.30 0.00 0.00 -0.61 0.00 0.00 39.78 37.87 3h0g n ASN 83 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3h0g n ARG 84 N 6.82 0.00 0.00 3.52 1.85 -1.26 -4.83 116.66 122.75 3h0g n ARG 84 Ca 0.28 0.24 0.00 0.00 -1.00 0.00 0.00 57.85 57.38 3h0g n ARG 84 Cb 0.24 -1.07 0.00 0.00 -1.05 0.00 0.00 32.46 30.58 3h0g n ARG 84 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3h0g n PHE 85 N -0.91 0.00 -2.76 2.89 3.72 -1.26 -4.44 117.46 114.69 3h0g n PHE 85 Ca 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.38 3h0g n PHE 85 Cb 0.00 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.56 3h0g n PHE 85 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3h0g s HIS 86 N 0.00 -0.64 0.00 1.38 3.76 -1.26 -5.04 115.29 113.49 3h0g s HIS 86 Ca 0.00 -0.10 0.00 0.00 -0.15 0.00 0.00 55.06 54.81 3h0g s HIS 86 Cb 0.00 0.12 0.00 0.00 1.11 0.00 0.00 32.58 33.81 3h0g s HIS 86 CO 0.00 -0.48 0.00 1.63 -0.85 0.00 0.00 174.74 175.04 3h0g n LYS 87 N 3.11 0.00 -0.02 1.40 5.02 -1.26 0.23 118.16 126.65 3h0g n LYS 87 Ca 0.11 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.31 3h0g n LYS 87 Cb 0.62 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.58 3h0g n LYS 87 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3h0g h PHE 88 N 0.00 -0.93 -0.82 2.13 3.57 -1.89 -0.77 116.94 118.24 3h0g h PHE 88 Ca 0.00 0.04 0.20 0.00 3.53 0.00 0.00 57.97 61.73 3h0g h PHE 88 Cb 0.00 0.42 -0.13 0.00 2.79 0.00 0.00 35.95 39.03 3h0g h PHE 88 CO 0.00 -0.31 0.21 0.93 -2.23 0.00 0.00 178.31 176.91 3h0g h GLU 89 N -0.32 0.24 0.24 1.11 5.08 0.25 0.14 114.58 121.32 3h0g h GLU 89 Ca 0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3h0g h GLU 89 Cb 0.38 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3h0g h GLU 89 CO -0.26 0.16 -0.21 0.00 -1.00 0.00 0.00 179.01 177.69 3h0g h ARG 90 N 0.25 -0.43 -0.63 2.33 3.08 -0.82 0.17 114.38 118.33 3h0g h ARG 90 Ca 0.49 0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.72 3h0g h ARG 90 Cb 0.91 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.03 3h0g h ARG 90 CO -0.59 -0.28 0.44 0.00 -1.07 0.00 0.00 179.97 178.47 3h0g h ALA 91 N -1.43 2.33 -0.29 0.04 0.00 -0.67 -0.98 119.26 118.26 3h0g h ALA 91 Ca -0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3h0g h ALA 91 Cb 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3h0g h ALA 91 CO -0.01 -0.50 -0.18 1.96 0.00 0.00 0.00 179.25 180.52 3h0g h GLN 92 N 0.19 0.63 -0.26 0.00 1.08 -0.29 -1.87 115.11 114.60 3h0g h GLN 92 Ca 0.31 -0.29 -0.07 0.00 -1.45 0.00 0.00 58.65 57.14 3h0g h GLN 92 Cb 0.94 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 3h0g h GLN 92 CO -0.05 0.88 -0.16 -0.07 -0.95 0.00 0.00 178.83 178.48 3h0g h LEU 93 N 0.38 0.44 -0.35 1.46 3.38 0.63 -1.67 115.31 119.58 3h0g h LEU 93 Ca 0.06 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3h0g h LEU 93 Cb 0.71 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3h0g h LEU 93 CO 0.05 0.63 -0.10 0.61 0.09 0.00 0.00 178.44 179.71 3h0g n GLY 94 N -0.60 -0.76 0.04 0.83 0.00 -0.73 -2.99 105.19 100.98 3h0g n GLY 94 Ca 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 46.02 45.73 3h0g n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h0g n THR 95 N -0.75 0.48 0.00 2.61 -2.24 -0.71 -4.78 114.28 108.89 3h0g n THR 95 Ca 0.16 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3h0g n THR 95 Cb 0.28 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 3h0g n THR 95 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3h0g n LEU 96 N -2.33 0.22 0.00 3.22 7.99 -0.68 -5.08 117.00 120.33 3h0g n LEU 96 Ca -0.13 0.14 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 3h0g n LEU 96 Cb 0.71 -0.40 0.00 0.00 -0.11 0.00 0.00 43.42 43.62 3h0g n LEU 96 CO 0.37 -0.40 0.00 0.00 -1.51 0.00 0.00 177.39 175.85 3h0g n GLU 99 N 0.84 0.00 -2.55 0.00 1.02 -1.26 -4.94 120.64 113.76 3h0g n GLU 99 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 3h0g n GLU 99 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 3h0g n GLU 99 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3h0g s ASP 100 N -1.99 5.53 0.01 1.62 1.01 -1.26 -4.70 116.67 116.89 3h0g s ASP 100 Ca 0.00 0.50 -0.10 0.00 0.71 0.00 0.00 52.55 53.66 3h0g s ASP 100 Cb 0.00 -1.50 -0.05 0.00 1.01 0.00 0.00 42.92 42.37 3h0g s ASP 100 CO 0.00 -1.04 1.01 0.00 0.21 0.00 0.00 175.17 175.34 3h0g h ALA 101 N -0.06 -0.96 -0.80 5.23 0.00 -1.96 -2.53 119.26 118.20 3h0g h ALA 101 Ca -0.45 -0.08 0.33 0.00 0.00 0.00 0.00 54.91 54.71 3h0g h ALA 101 Cb 1.27 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 19.06 3h0g h ALA 101 CO 0.59 -0.93 0.44 0.39 0.00 0.00 0.00 179.25 179.74 3h0g n GLU 102 N -3.06 -0.04 -0.04 0.00 4.71 -1.26 0.34 120.64 121.29 3h0g n GLU 102 Ca -0.04 1.04 -0.09 0.00 -0.01 0.00 0.00 57.16 58.06 3h0g n GLU 102 Cb 0.14 -1.89 0.07 0.00 -1.01 0.00 0.00 31.44 28.74 3h0g n GLU 102 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 3h0g h GLU 103 N 0.00 0.66 -0.04 3.49 4.81 -1.94 -2.89 114.58 118.68 3h0g h GLU 103 Ca 0.65 -0.35 0.01 0.00 -0.13 0.00 0.00 59.36 59.55 3h0g h GLU 103 Cb 1.77 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.15 3h0g h GLU 103 CO -0.56 0.95 -0.03 0.00 -0.73 0.00 0.00 179.01 178.64 3h0g h ALA 104 N 1.00 0.00 -0.29 2.92 0.00 0.62 -2.08 119.26 121.44 3h0g h ALA 104 Ca 0.04 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3h0g h ALA 104 Cb 0.94 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3h0g h ALA 104 CO 0.08 -0.51 0.14 0.00 0.00 0.00 0.00 179.25 178.96 3h0g h ARG 105 N -0.04 0.29 -0.31 0.00 3.08 -1.46 0.19 114.38 116.14 3h0g h ARG 105 Ca 0.03 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.13 3h0g h ARG 105 Cb 0.07 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 3h0g h ARG 105 CO -0.06 0.19 -0.17 1.79 -1.07 0.00 0.00 179.97 180.66 3h0g h THR 106 N 0.30 0.51 -0.32 2.04 1.35 -1.29 0.23 112.91 115.72 3h0g h THR 106 Ca 0.12 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.91 3h0g h THR 106 Cb 0.04 0.51 -0.01 0.00 -1.73 0.00 0.00 68.15 66.95 3h0g h THR 106 CO -0.08 0.00 -0.08 -0.07 -0.25 0.00 0.00 175.52 175.04 3h0g h LEU 107 N -0.12 0.63 -6.89 3.87 3.38 -1.14 -3.36 115.31 111.68 3h0g h LEU 107 Ca 0.16 -0.37 -0.61 0.00 0.09 0.00 0.00 57.88 57.15 3h0g h LEU 107 Cb 0.37 -0.17 -0.42 0.00 0.09 0.00 0.00 40.66 40.53 3h0g h LEU 107 CO -0.39 0.85 -0.61 -0.38 0.09 0.00 0.00 178.44 178.00 3h0g n ILE 108 N -4.44 1.53 0.27 1.22 5.41 0.66 -4.92 119.36 119.09 3h0g n ILE 108 Ca -0.03 -4.82 0.18 0.00 1.00 0.00 0.00 62.75 59.09 3h0g n ILE 108 Cb 0.33 -2.14 0.93 0.00 -0.71 0.00 0.00 39.64 38.06 3h0g n ILE 108 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3h0g h PRO 109 N 5.20 0.00 0.00 0.38 0.13 -0.73 0.30 132.00 137.28 3h0g h PRO 109 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3h0g h PRO 109 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3h0g h PRO 109 CO 0.71 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.35 3h0g n SER 110 N -3.38 0.00 0.14 1.44 3.41 -1.26 -1.61 113.62 112.36 3h0g n SER 110 Ca -0.01 0.30 0.12 0.00 -0.26 0.00 0.00 58.87 59.03 3h0g n SER 110 Cb 0.27 -0.38 0.22 0.00 -0.26 0.00 0.00 64.21 64.06 3h0g n SER 110 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3h0g h LEU 111 N 0.00 0.00 0.00 1.04 3.38 -1.25 -3.44 115.31 115.04 3h0g h LEU 111 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3h0g h LEU 111 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3h0g h LEU 111 CO 0.00 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.55 3h0g n ALA 112 N -1.96 0.00 -1.23 1.53 0.00 -0.63 0.11 120.51 118.33 3h0g n ALA 112 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.22 3h0g n ALA 112 Cb 0.48 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.96 3h0g n ALA 112 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h0g n ASN 113 N 0.00 6.90 -0.10 0.00 3.02 -1.26 -4.41 115.26 119.42 3h0g n ASN 113 Ca 0.00 -3.36 -0.23 0.00 -0.03 0.00 0.00 54.58 50.96 3h0g n ASN 113 Cb 0.00 -1.07 -0.12 0.00 -0.61 0.00 0.00 39.78 37.98 3h0g n ASN 113 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3h0g n LYS 114 N 0.04 0.59 -4.20 3.52 4.76 0.31 -5.01 118.16 118.17 3h0g n LYS 114 Ca 0.45 0.51 -0.12 0.00 -2.87 0.00 0.00 58.31 56.28 3h0g n LYS 114 Cb 0.56 -1.71 -0.10 0.00 -1.84 0.00 0.00 35.03 31.94 3h0g n LYS 114 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3h0g s ILE 115 N -2.40 0.85 0.00 -0.18 1.01 -1.24 -5.15 121.20 114.09 3h0g s ILE 115 Ca -0.30 -1.98 0.00 0.00 0.00 0.00 0.00 60.65 58.38 3h0g s ILE 115 Cb 0.07 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.80 3h0g s ILE 115 CO 0.60 -0.83 0.00 0.47 0.00 0.00 0.00 174.94 175.17 3h0g n ASP 116 N -0.09 0.00 0.00 3.58 8.00 -1.26 -4.99 116.55 121.79 3h0g n ASP 116 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 3h0g n ASP 116 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 3h0g n ASP 116 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3h0g n ASP 117 N 0.00 0.00 0.00 -2.24 8.00 -1.26 -4.67 116.55 116.39 3h0g n ASP 117 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3h0g n ASP 117 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3h0g n ASP 117 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h0g n GLN 118 N -0.97 0.00 -0.15 -1.24 6.02 -1.26 0.40 117.38 120.17 3h0g n GLN 118 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 3h0g n GLN 118 Cb 0.00 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.29 3h0g n GLN 118 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 3h0g h ASN 119 N 0.00 -0.60 -0.29 1.08 2.35 -2.00 -1.86 115.58 114.26 3h0g h ASN 119 Ca 0.00 0.16 0.07 0.00 -0.55 0.00 0.00 56.30 55.98 3h0g h ASN 119 Cb 0.00 0.36 -0.08 0.00 0.05 0.00 0.00 38.32 38.65 3h0g h ASN 119 CO 0.00 -0.21 -0.24 -0.07 -1.65 0.00 0.00 177.43 175.26 3h0g h LEU 120 N -0.06 -0.78 -0.65 1.61 3.38 0.75 -1.39 115.31 118.17 3h0g h LEU 120 Ca 0.23 0.15 0.12 0.00 0.09 0.00 0.00 57.88 58.47 3h0g h LEU 120 Cb 0.42 0.38 -0.09 0.00 0.09 0.00 0.00 40.66 41.45 3h0g h LEU 120 CO -0.53 -0.27 0.16 1.56 0.09 0.00 0.00 178.44 179.45 3h0g h GLN 121 N -0.22 0.28 -0.95 1.13 4.20 -1.22 -0.38 115.11 117.95 3h0g h GLN 121 Ca 0.15 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.90 3h0g h GLN 121 Cb 0.46 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.12 3h0g h GLN 121 CO -0.42 0.19 0.62 0.78 -0.67 0.00 0.00 178.83 179.32 3h0g h GLY 122 N 0.29 1.40 1.01 3.46 0.00 -0.72 -1.96 103.07 106.54 3h0g h GLY 122 Ca 0.35 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 47.13 3h0g h GLY 122 CO -0.42 0.35 -0.09 -2.22 0.00 0.00 0.00 176.54 174.16 3h0g h ILE 123 N 1.14 1.27 -0.61 2.60 2.04 -0.33 -2.75 117.51 120.87 3h0g h ILE 123 Ca 0.40 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 65.06 3h0g h ILE 123 Cb 0.11 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 3h0g h ILE 123 CO -0.14 0.41 0.39 0.25 0.00 0.00 0.00 178.15 179.06 3h0g h LEU 124 N 0.66 0.70 -0.94 1.44 5.85 -0.75 -1.70 115.31 120.57 3h0g h LEU 124 Ca 0.11 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3h0g h LEU 124 Cb 0.63 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 3h0g h LEU 124 CO 0.04 0.52 0.63 0.44 -0.34 0.00 0.00 178.44 179.73 3h0g h ASP 125 N 0.82 1.08 -0.45 1.25 3.32 -1.31 -0.62 116.42 120.51 3h0g h ASP 125 Ca 0.22 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.17 3h0g h ASP 125 Cb -0.08 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.18 3h0g h ASP 125 CO -0.05 0.78 0.00 -0.33 -1.72 0.00 0.00 179.24 177.92 3h0g h GLU 126 N 1.27 0.87 -0.09 3.56 5.08 -1.14 -2.48 114.58 121.65 3h0g h GLU 126 Ca 0.35 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3h0g h GLU 126 Cb -0.14 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 3h0g h GLU 126 CO -0.08 0.86 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.67 3h0g h LEU 127 N 0.80 0.20 -1.22 1.33 3.38 -0.72 -1.57 115.31 117.52 3h0g h LEU 127 Ca 0.15 -0.44 0.11 0.00 0.09 0.00 0.00 57.88 57.79 3h0g h LEU 127 Cb 0.48 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 3h0g h LEU 127 CO 0.02 0.59 0.57 0.77 0.09 0.00 0.00 178.44 180.49 3h0g h SER 128 N -0.20 0.77 1.13 -0.43 4.64 -1.07 0.30 113.55 118.70 3h0g h SER 128 Ca 0.02 0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.25 3h0g h SER 128 Cb 0.53 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 3h0g h SER 128 CO 0.02 0.44 -0.55 0.71 -0.87 0.00 0.00 176.83 176.57 3h0g h THR 129 N 0.85 1.05 -0.11 2.95 1.35 -1.38 -3.27 112.91 114.35 3h0g h THR 129 Ca 0.42 -2.19 -0.18 0.00 -0.55 0.00 0.00 66.41 63.92 3h0g h THR 129 Cb 0.47 2.31 0.01 0.00 -1.73 0.00 0.00 68.15 69.21 3h0g h THR 129 CO -0.18 0.54 -0.62 -0.07 -0.25 0.00 0.00 175.52 174.93 3h0g h LEU 130 N 0.00 0.73 0.00 3.87 3.38 0.04 -2.20 115.31 121.12 3h0g h LEU 130 Ca -0.01 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.31 3h0g h LEU 130 Cb 1.27 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3h0g h LEU 130 CO 0.07 1.27 0.11 0.54 0.09 0.00 0.00 178.44 180.52 3h0g n ARG 131 N -4.12 0.00 0.00 1.13 1.74 -0.20 0.08 116.66 115.28 3h0g n ARG 131 Ca -0.08 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3h0g n ARG 131 Cb 0.67 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 3h0g n ARG 131 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3h0g n LYS 132 N -0.97 0.00 0.00 5.56 0.00 -1.17 -4.27 118.16 117.31 3h0g n LYS 132 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3h0g n LYS 132 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.14 3h0g n LYS 132 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3h0g n PHE 133 N 0.00 0.00 -0.37 5.64 3.72 -0.84 -4.87 117.46 120.74 3h0g n PHE 133 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3h0g n PHE 133 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3h0g n PHE 133 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3h0g n GLN 134 N 3.95 -1.54 0.00 -1.08 7.27 0.11 -5.03 117.38 121.06 3h0g n GLN 134 Ca 0.00 0.16 0.00 0.00 0.07 0.00 0.00 57.00 57.23 3h0g n GLN 134 Cb 0.00 -3.30 0.00 0.00 2.41 0.00 0.00 30.24 29.35 3h0g n GLN 134 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73