#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqg s GLU 30 N 0.00 3.49 -0.05 0.03 2.02 -1.26 -1.62 118.70 121.31 2jqg s GLU 30 Ca 0.00 -0.51 0.05 0.00 0.02 0.00 0.00 54.97 54.53 2jqg s GLU 30 Cb 0.00 -3.82 -0.01 0.00 0.10 0.00 0.00 34.13 30.40 2jqg s GLU 30 CO 0.00 -0.54 -0.21 -0.48 0.02 0.00 0.00 175.26 174.04 2jqg s LEU 31 N 1.96 2.00 0.33 1.80 2.34 -1.04 -4.90 118.68 121.16 2jqg s LEU 31 Ca 0.10 -0.43 -0.04 0.00 0.06 0.00 0.00 54.13 53.82 2jqg s LEU 31 Cb -0.17 -1.18 -0.05 0.00 -0.56 0.00 0.00 46.19 44.24 2jqg s LEU 31 CO 0.12 0.20 0.60 0.28 -1.06 0.00 0.00 176.35 176.49 2jqg s THR 32 N -0.09 5.01 0.23 5.48 -1.32 -1.26 -1.59 115.64 122.09 2jqg s THR 32 Ca -0.03 0.02 0.03 0.00 -1.21 0.00 0.00 61.69 60.50 2jqg s THR 32 Cb -0.12 -3.77 0.03 0.00 -1.51 0.00 0.00 72.50 67.12 2jqg s THR 32 CO 0.03 -0.44 0.23 0.00 -2.21 0.00 0.00 174.62 172.22 2jqg n LEU 33 N -1.27 0.00 -0.20 9.08 -0.00 -0.46 -3.89 117.00 120.26 2jqg n LEU 33 Ca -0.02 -1.12 -0.01 0.00 -0.00 0.00 0.00 56.01 54.86 2jqg n LEU 33 Cb 0.54 -0.07 0.06 0.00 -0.00 0.00 0.00 43.42 43.95 2jqg n LEU 33 CO 0.49 -0.46 0.75 0.10 -0.00 0.00 0.00 177.39 178.27 2jqg h TYR 34 N 0.37 -0.29 0.00 1.47 -0.00 1.10 -1.35 116.97 118.27 2jqg h TYR 34 Ca -0.13 0.05 0.00 0.00 -0.00 0.00 0.00 58.73 58.65 2jqg h TYR 34 Cb 0.52 0.22 0.00 0.00 -0.00 0.00 0.00 36.73 37.47 2jqg h TYR 34 CO 0.00 -0.25 0.00 0.27 -0.00 0.00 0.00 178.16 178.18 2jqg n ASN 35 N -5.40 0.66 0.00 0.10 6.94 -1.26 -4.82 115.26 111.48 2jqg n ASN 35 Ca 0.07 -1.66 0.00 0.00 -0.02 0.00 0.00 54.58 52.97 2jqg n ASN 35 Cb 0.32 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.41 2jqg n ASN 35 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jqg n GLY 36 N 0.13 2.77 3.73 4.83 0.00 -0.51 -4.99 105.19 111.16 2jqg n GLY 36 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2jqg n GLY 36 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jqg s GLU 37 N -0.13 4.14 -0.36 1.61 2.12 -1.26 -4.65 118.70 120.16 2jqg s GLU 37 Ca 0.00 2.55 -0.13 0.00 0.36 0.00 0.00 54.97 57.75 2jqg s GLU 37 Cb 0.00 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.32 2jqg s GLU 37 CO 0.00 -0.68 0.25 -1.59 -0.54 0.00 0.00 175.26 172.70 2jqg s LYS 38 N 0.56 3.23 -0.24 4.30 -2.85 -1.26 -1.35 119.74 122.13 2jqg s LYS 38 Ca 0.70 -0.83 -0.03 0.00 -1.00 0.00 0.00 55.97 54.81 2jqg s LYS 38 Cb -0.48 -3.83 0.01 0.00 -2.06 0.00 0.00 37.83 31.47 2jqg s LYS 38 CO 0.37 -0.57 -0.05 0.15 0.10 0.00 0.00 175.35 175.36 2jqg s LYS 39 N 1.68 3.13 -0.11 1.78 1.02 -0.62 -4.90 119.74 121.72 2jqg s LYS 39 Ca 0.05 -0.79 -0.15 0.00 0.02 0.00 0.00 55.97 55.11 2jqg s LYS 39 Cb -0.18 -3.01 -0.05 0.00 -0.52 0.00 0.00 37.83 34.07 2jqg s LYS 39 CO 0.09 -0.30 0.35 -0.08 -0.92 0.00 0.00 175.35 174.50 2jqg s THR 40 N 1.42 5.22 0.18 2.17 -1.32 -1.26 -2.50 115.64 119.54 2jqg s THR 40 Ca 0.03 0.69 -0.07 0.00 -1.21 0.00 0.00 61.69 61.14 2jqg s THR 40 Cb -0.15 -3.68 -0.02 0.00 -1.51 0.00 0.00 72.50 67.14 2jqg s THR 40 CO -0.04 0.43 0.25 0.72 -2.21 0.00 0.00 174.62 173.77 2jqg s PHE 41 N 0.05 0.59 0.94 9.09 -0.71 -0.64 -4.93 117.98 122.37 2jqg s PHE 41 Ca 0.20 -0.94 -0.15 0.00 -1.04 0.00 0.00 56.93 55.01 2jqg s PHE 41 Cb -0.14 -0.17 0.17 0.00 -1.21 0.00 0.00 43.02 41.67 2jqg s PHE 41 CO 0.08 -0.71 1.27 0.71 -1.34 0.00 0.00 175.22 175.23 2jqg s TYR 42 N -4.02 1.89 0.00 3.49 2.02 -1.26 -2.03 117.35 117.44 2jqg s TYR 42 Ca 0.23 0.44 0.00 0.00 -0.37 0.00 0.00 57.07 57.37 2jqg s TYR 42 Cb 0.04 -3.92 0.00 0.00 -0.40 0.00 0.00 41.96 37.68 2jqg s TYR 42 CO 0.04 -2.50 0.00 0.43 -1.57 0.00 0.00 175.55 171.95 2jqg n SER 43 N -3.71 0.00 -2.57 2.29 7.64 -1.26 -4.84 113.62 111.17 2jqg n SER 43 Ca 0.13 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.77 2jqg n SER 43 Cb 0.60 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.82 2jqg n SER 43 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2jqg n ARG 44 N 0.00 0.00 -1.50 1.43 1.85 0.49 -3.73 116.66 115.20 2jqg n ARG 44 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 2jqg n ARG 44 Cb 0.00 -0.64 -0.07 0.00 -1.05 0.00 0.00 32.46 30.70 2jqg n ARG 44 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 2jqg n PRO 45 N 1.61 0.91 0.00 2.89 -0.04 -1.26 -4.47 135.00 134.63 2jqg n PRO 45 Ca -0.01 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2jqg n PRO 45 Cb 0.41 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 2jqg n PRO 45 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2jqg n ASN 46 N 12.10 0.00 -3.97 3.54 4.05 -1.26 -5.04 115.26 124.68 2jqg n ASN 46 Ca 0.44 0.00 -0.18 0.00 0.45 0.00 0.00 54.58 55.30 2jqg n ASN 46 Cb 0.31 0.00 -0.15 0.00 1.23 0.00 0.00 39.78 41.17 2jqg n ASN 46 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2jqg s ASN 47 N -1.00 0.84 -0.49 1.20 4.22 -1.26 -4.84 114.94 113.61 2jqg s ASN 47 Ca 0.00 -0.13 -0.02 0.00 -2.14 0.00 0.00 52.86 50.57 2jqg s ASN 47 Cb 0.00 -0.16 0.00 0.00 1.28 0.00 0.00 41.25 42.38 2jqg s ASN 47 CO 0.00 0.06 0.42 1.41 -2.04 0.00 0.00 177.10 176.95 2jqg n HIS 48 N 3.11 -1.00 -2.62 1.54 8.25 -1.26 -4.52 115.22 118.71 2jqg n HIS 48 Ca -0.15 0.37 -0.04 0.00 -0.26 0.00 0.00 57.72 57.64 2jqg n HIS 48 Cb 0.56 -2.71 -0.03 0.00 1.12 0.00 0.00 29.99 28.94 2jqg n HIS 48 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2jqg n ASP 49 N -0.67 -3.11 -0.44 0.41 8.00 -1.26 -4.68 116.55 114.80 2jqg n ASP 49 Ca -0.03 1.35 0.05 0.00 0.71 0.00 0.00 54.79 56.88 2jqg n ASP 49 Cb 0.53 -4.42 0.06 0.00 -0.02 0.00 0.00 41.12 37.28 2jqg n ASP 49 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2jqg n ASN 50 N 1.92 2.03 -0.13 -2.24 6.94 -1.26 -4.59 115.26 117.93 2jqg n ASN 50 Ca -0.26 -1.53 -0.12 0.00 -0.02 0.00 0.00 54.58 52.64 2jqg n ASN 50 Cb 0.41 -0.04 -0.02 0.00 -2.36 0.00 0.00 39.78 37.77 2jqg n ASN 50 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jqg h ALA 51 N 1.94 0.54 -0.36 -2.53 0.00 -1.90 0.43 119.26 117.38 2jqg h ALA 51 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2jqg h ALA 51 Cb 0.48 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2jqg h ALA 51 CO 0.00 0.50 0.23 -1.49 0.00 0.00 0.00 179.25 178.49 2jqg h TRP 52 N 0.61 0.46 0.22 0.00 -0.00 -1.85 0.36 115.95 115.75 2jqg h TRP 52 Ca 0.08 0.01 -0.32 0.00 -0.00 0.00 0.00 58.89 58.66 2jqg h TRP 52 Cb 0.76 -0.16 0.04 0.00 -0.00 0.00 0.00 29.16 29.80 2jqg h TRP 52 CO 0.06 0.30 -1.39 -0.07 -0.00 0.00 0.00 178.44 177.34 2jqg h LEU 53 N 0.50 0.83 -2.03 -4.49 3.38 -1.79 -2.98 115.31 108.73 2jqg h LEU 53 Ca 0.13 -0.90 0.12 0.00 0.09 0.00 0.00 57.88 57.32 2jqg h LEU 53 Cb -0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 2jqg h LEU 53 CO -0.03 1.67 0.34 -1.13 0.09 0.00 0.00 178.44 179.38 2jqg h ASN 54 N 0.14 0.00 0.45 -0.43 -1.24 0.10 1.29 115.58 115.89 2jqg h ASN 54 Ca -0.24 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.75 2jqg h ASN 54 Cb 2.08 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.14 2jqg h ASN 54 CO 0.26 0.00 -0.21 0.00 -1.29 0.00 0.00 177.43 176.19 2jqg h ALA 55 N 1.73 -0.94 0.00 1.57 0.00 -0.19 0.19 119.26 121.62 2jqg h ALA 55 Ca 0.20 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2jqg h ALA 55 Cb 0.87 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2jqg h ALA 55 CO -0.00 -0.90 -0.33 -0.84 0.00 0.00 0.00 179.25 177.18 2jqg h ILE 56 N -0.73 1.16 -0.08 0.00 3.07 -1.39 -2.69 117.51 116.85 2jqg h ILE 56 Ca -0.06 -1.18 0.04 0.00 1.55 0.00 0.00 64.86 65.21 2jqg h ILE 56 Cb 0.46 1.65 -0.06 0.00 -0.27 0.00 0.00 36.82 38.60 2jqg h ILE 56 CO 0.10 0.33 -0.29 -0.07 -1.05 0.00 0.00 178.15 177.17 2jqg h LEU 57 N 0.00 -0.89 -1.83 0.16 -0.00 0.18 1.19 115.31 114.12 2jqg h LEU 57 Ca -0.00 0.13 0.14 0.00 -0.00 0.00 0.00 57.88 58.14 2jqg h LEU 57 Cb 0.62 0.37 -0.03 0.00 -0.00 0.00 0.00 40.66 41.62 2jqg h LEU 57 CO 0.04 -0.34 0.41 1.56 -0.00 0.00 0.00 178.44 180.11 2jqg h GLN 58 N -0.40 0.17 -0.48 1.13 4.20 -0.31 1.29 115.11 120.72 2jqg h GLN 58 Ca 0.08 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 2jqg h GLN 58 Cb 0.52 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2jqg h GLN 58 CO -0.30 0.11 -0.16 1.25 -0.67 0.00 0.00 178.83 179.06 2jqg h LEU 59 N 0.18 0.97 -0.49 1.46 5.85 0.77 -2.74 115.31 121.30 2jqg h LEU 59 Ca 0.28 -0.38 0.08 0.00 0.84 0.00 0.00 57.88 58.70 2jqg h LEU 59 Cb 0.86 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.56 2jqg h LEU 59 CO -0.05 1.13 0.12 2.19 -0.34 0.00 0.00 178.44 181.49 2jqg h PHE 60 N 0.80 0.20 0.28 1.25 -5.15 0.98 0.21 116.94 115.51 2jqg h PHE 60 Ca 0.11 0.03 -0.00 0.00 -0.20 0.00 0.00 57.97 57.91 2jqg h PHE 60 Cb 0.73 -0.01 -0.01 0.00 0.22 0.00 0.00 35.95 36.87 2jqg h PHE 60 CO 0.05 0.02 -0.23 0.00 -2.00 0.00 0.00 178.31 176.15 2jqg h ARG 61 N 0.26 -0.51 0.02 6.09 2.47 -0.94 0.97 114.38 122.74 2jqg h ARG 61 Ca 0.24 0.03 -0.32 0.00 -1.26 0.00 0.00 59.98 58.67 2jqg h ARG 61 Cb 0.30 0.12 -0.05 0.00 -1.65 0.00 0.00 29.97 28.69 2jqg h ARG 61 CO -0.30 -0.34 -1.92 2.48 0.56 0.00 0.00 179.97 180.46 2jqg n TYR 62 N -5.36 0.79 0.16 3.04 0.18 -1.14 -4.20 117.16 110.64 2jqg n TYR 62 Ca -0.09 0.26 0.05 0.00 1.88 0.00 0.00 57.90 60.00 2jqg n TYR 62 Cb 0.27 -1.14 0.16 0.00 -0.38 0.00 0.00 39.34 38.25 2jqg n TYR 62 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 2jqg h VAL 63 N 0.01 0.78 0.00 -3.48 2.07 -0.71 -3.48 116.25 111.44 2jqg h VAL 63 Ca -0.37 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.28 2jqg h VAL 63 Cb 2.06 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 34.04 2jqg h VAL 63 CO 0.06 0.41 0.00 1.21 0.02 0.00 0.00 177.57 179.27 2jqg n GLU 64 N -3.30 0.00 -1.52 1.57 2.13 -0.73 -4.85 120.64 113.94 2jqg n GLU 64 Ca 0.01 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.44 2jqg n GLU 64 Cb 0.64 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.26 2jqg n GLU 64 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2jqg n GLU 65 N 0.00 0.59 -0.17 5.31 0.28 0.33 -4.59 120.64 122.38 2jqg n GLU 65 Ca 0.00 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 2jqg n GLU 65 Cb 0.00 -2.51 0.00 0.00 1.43 0.00 0.00 31.44 30.36 2jqg n GLU 65 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 2jqg n PRO 66 N 8.71 0.97 0.31 3.44 -0.04 -1.26 -4.79 135.00 142.34 2jqg n PRO 66 Ca 0.50 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.98 2jqg n PRO 66 Cb 0.29 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 33.87 2jqg n PRO 66 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2jqg h PHE 67 N -0.35 0.00 0.00 0.54 0.04 -1.93 -0.93 116.94 114.32 2jqg h PHE 67 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2jqg h PHE 67 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2jqg h PHE 67 CO 0.00 0.00 0.01 1.19 -0.60 0.00 0.00 178.31 178.91 2jqg n PHE 68 N -2.46 0.00 0.16 -0.55 3.72 -1.26 -2.63 117.46 114.44 2jqg n PHE 68 Ca -0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 2jqg n PHE 68 Cb 0.88 -0.14 0.64 0.00 -0.94 0.00 0.00 39.48 39.92 2jqg n PHE 68 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2jqg h ASP 69 N 0.00 0.04 -0.27 4.37 3.58 -1.47 -1.05 116.42 121.63 2jqg h ASP 69 Ca 0.00 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2jqg h ASP 69 Cb 0.03 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 2jqg h ASP 69 CO 0.00 0.03 0.12 -0.50 -2.88 0.00 0.00 179.24 176.01 2jqg h TRP 70 N 0.05 0.44 0.46 0.28 4.06 -1.80 0.13 115.95 119.57 2jqg h TRP 70 Ca 0.09 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.01 2jqg h TRP 70 Cb 0.30 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 28.33 2jqg h TRP 70 CO -0.00 0.35 -0.22 0.28 -3.56 0.00 0.00 178.44 175.29 2jqg h VAL 71 N 0.45 0.00 -0.02 1.49 2.07 -1.30 -2.87 116.25 116.07 2jqg h VAL 71 Ca 0.11 -0.33 -0.13 0.00 0.82 0.00 0.00 66.70 67.17 2jqg h VAL 71 Cb 0.10 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 2jqg h VAL 71 CO -0.01 0.00 -0.60 0.10 0.02 0.00 0.00 177.57 177.08 2jqg h TYR 72 N -0.95 0.08 0.00 1.57 -0.00 -1.56 -2.70 116.97 113.42 2jqg h TYR 72 Ca -0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 58.73 58.62 2jqg h TYR 72 Cb 0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 36.73 37.19 2jqg h TYR 72 CO 0.03 0.65 -0.06 1.03 -0.00 0.00 0.00 178.16 179.80 2jqg h SER 73 N 0.05 0.00 -4.04 0.10 0.87 -0.84 -3.42 113.55 106.27 2jqg h SER 73 Ca -0.01 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 60.09 2jqg h SER 73 Cb 1.07 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.04 2jqg h SER 73 CO 0.08 0.06 0.38 -0.55 -0.53 0.00 0.00 176.83 176.27 2jqg s SER 74 N -5.89 6.63 0.46 6.23 0.15 -1.02 -4.91 113.70 115.35 2jqg s SER 74 Ca -0.03 1.88 0.31 0.00 0.70 0.00 0.00 55.95 58.81 2jqg s SER 74 Cb 0.13 -2.56 1.51 0.00 -1.71 0.00 0.00 66.02 63.39 2jqg s SER 74 CO 0.54 -0.58 1.94 1.55 1.20 0.00 0.00 173.24 177.90 2jqg h PRO 75 N 1.92 0.00 -1.76 5.44 0.13 -1.86 -3.18 132.00 132.68 2jqg h PRO 75 Ca -0.49 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.19 2jqg h PRO 75 Cb 1.21 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.95 2jqg h PRO 75 CO 0.60 0.00 -1.15 0.39 -0.23 0.00 0.00 178.00 177.61 2jqg n GLU 76 N -2.68 0.99 0.00 0.86 1.02 -1.26 -5.05 120.64 114.52 2jqg n GLU 76 Ca -0.00 -3.27 0.00 0.00 -0.02 0.00 0.00 57.16 53.86 2jqg n GLU 76 Cb 0.16 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 2jqg n GLU 76 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2jqg n ASN 77 N 0.24 0.00 -1.63 1.62 2.85 -1.20 -4.72 115.26 112.42 2jqg n ASN 77 Ca 0.22 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.69 2jqg n ASN 77 Cb 0.68 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.70 2jqg n ASN 77 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2jqg n LEU 78 N 0.00 -2.38 0.11 1.20 -0.00 -1.26 -3.90 117.00 110.77 2jqg n LEU 78 Ca 0.00 -0.02 -0.13 0.00 -0.00 0.00 0.00 56.01 55.86 2jqg n LEU 78 Cb 0.00 -1.07 -0.08 0.00 -0.00 0.00 0.00 43.42 42.27 2jqg n LEU 78 CO 0.00 -0.07 0.65 0.00 -0.00 0.00 0.00 177.39 177.98 2jqg h THR 79 N 0.00 0.89 -0.35 1.96 1.03 -1.84 -2.46 112.91 112.14 2jqg h THR 79 Ca -0.01 -0.52 0.08 0.00 -0.01 0.00 0.00 66.41 65.94 2jqg h THR 79 Cb 1.01 1.20 -0.08 0.00 -1.07 0.00 0.00 68.15 69.20 2jqg h THR 79 CO 0.03 0.12 -0.26 0.17 -0.01 0.00 0.00 175.52 175.57 2jqg h LEU 80 N -0.53 -0.85 -1.29 0.00 -0.00 -1.86 -0.36 115.31 110.42 2jqg h LEU 80 Ca -0.03 0.16 -0.07 0.00 -0.00 0.00 0.00 57.88 57.95 2jqg h LEU 80 Cb 0.40 0.41 -0.01 0.00 -0.00 0.00 0.00 40.66 41.46 2jqg h LEU 80 CO 0.04 -0.28 -0.33 -0.33 -0.00 0.00 0.00 178.44 177.54 2jqg h GLU 81 N -0.21 0.00 -0.19 0.17 5.08 -1.96 -1.63 114.58 115.84 2jqg h GLU 81 Ca 0.17 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 2jqg h GLU 81 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2jqg h GLU 81 CO -0.47 0.33 -0.01 0.00 -1.00 0.00 0.00 179.01 177.86 2jqg h ALA 82 N 1.67 0.26 0.16 3.43 0.00 -0.62 -3.19 119.26 120.97 2jqg h ALA 82 Ca -0.00 -0.22 -0.36 0.00 0.00 0.00 0.00 54.91 54.33 2jqg h ALA 82 Cb 0.66 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2jqg h ALA 82 CO 0.04 -0.01 -1.85 -0.84 0.00 0.00 0.00 179.25 176.59 2jqg h ILE 83 N 0.09 0.81 -1.01 0.00 3.07 -1.16 -2.99 117.51 116.31 2jqg h ILE 83 Ca 0.05 -2.44 0.25 0.00 1.55 0.00 0.00 64.86 64.27 2jqg h ILE 83 Cb 0.42 2.66 -0.09 0.00 -0.27 0.00 0.00 36.82 39.55 2jqg h ILE 83 CO 0.01 0.88 0.66 0.11 -1.05 0.00 0.00 178.15 178.76 2jqg h LYS 84 N 0.09 0.38 -0.17 0.16 1.57 -1.42 1.55 116.57 118.73 2jqg h LYS 84 Ca -0.38 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.28 2jqg h LYS 84 Cb 2.08 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 34.30 2jqg h LYS 84 CO 0.14 0.25 -0.28 0.37 -0.57 0.00 0.00 179.45 179.37 2jqg h GLN 85 N 0.39 0.49 -0.92 3.15 5.75 -1.64 -2.71 115.11 119.62 2jqg h GLN 85 Ca 0.56 -0.30 0.12 0.00 -0.15 0.00 0.00 58.65 58.88 2jqg h GLN 85 Cb 1.44 0.03 -0.07 0.00 1.07 0.00 0.00 27.48 29.95 2jqg h GLN 85 CO -0.26 0.90 0.59 1.25 -2.65 0.00 0.00 178.83 178.66 2jqg h LEU 86 N 0.13 0.80 -1.68 -2.39 7.12 0.18 0.73 115.31 120.20 2jqg h LEU 86 Ca 0.01 0.03 0.02 0.00 0.13 0.00 0.00 57.88 58.08 2jqg h LEU 86 Cb 0.86 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.84 2jqg h LEU 86 CO 0.06 0.44 0.25 -0.08 -0.13 0.00 0.00 178.44 178.98 2jqg h GLU 87 N 0.87 0.41 -0.62 1.25 4.81 0.17 0.84 114.58 122.32 2jqg h GLU 87 Ca 0.45 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.78 2jqg h GLU 87 Cb 0.51 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 2jqg h GLU 87 CO -0.21 0.27 0.42 -0.44 -0.73 0.00 0.00 179.01 178.33 2jqg h ASP 88 N 0.43 0.24 0.00 1.04 3.32 0.73 2.19 116.42 124.37 2jqg h ASP 88 Ca 0.14 0.01 -0.40 0.00 0.02 0.00 0.00 57.03 56.80 2jqg h ASP 88 Cb 0.05 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.51 2jqg h ASP 88 CO -0.03 0.13 -2.35 0.18 -1.72 0.00 0.00 179.24 175.45 2jqg n LEU 89 N -4.44 1.82 0.11 1.55 4.32 0.57 -4.53 117.00 116.39 2jqg n LEU 89 Ca 0.11 0.26 -0.02 0.00 -0.02 0.00 0.00 56.01 56.34 2jqg n LEU 89 Cb 0.50 -0.72 0.00 0.00 -1.62 0.00 0.00 43.42 41.59 2jqg n LEU 89 CO 0.35 0.54 0.34 0.71 -1.22 0.00 0.00 177.39 178.11 2jqg h THR 90 N -0.79 1.30 -0.59 -5.08 1.35 0.55 -3.48 112.91 106.17 2jqg h THR 90 Ca -0.61 -2.69 -0.15 0.00 -0.55 0.00 0.00 66.41 62.42 2jqg h THR 90 Cb 1.56 2.55 -0.04 0.00 -1.73 0.00 0.00 68.15 70.49 2jqg h THR 90 CO -0.35 0.71 -0.15 0.61 -0.25 0.00 0.00 175.52 176.09 2jqg n GLY 91 N 1.10 0.62 0.00 5.82 0.00 0.74 -4.90 105.19 108.58 2jqg n GLY 91 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2jqg n GLY 91 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2jqg n LEU 92 N -0.90 0.00 -3.48 0.99 -0.00 -1.26 -4.97 117.00 107.38 2jqg n LEU 92 Ca -0.08 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.73 2jqg n LEU 92 Cb 0.36 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.65 2jqg n LEU 92 CO 0.11 -0.03 -0.23 -1.61 -0.00 0.00 0.00 177.39 175.63 2jqg s GLU 93 N 1.82 0.23 0.00 1.47 2.02 -1.26 -4.52 118.70 118.46 2jqg s GLU 93 Ca 0.00 -0.07 0.17 0.00 0.02 0.00 0.00 54.97 55.09 2jqg s GLU 93 Cb 0.00 -1.05 0.48 0.00 0.10 0.00 0.00 34.13 33.66 2jqg s GLU 93 CO 0.00 -0.85 1.40 1.28 0.02 0.00 0.00 175.26 177.11 2jqg n LEU 94 N 5.30 3.47 -0.44 1.80 7.99 -1.26 -3.92 117.00 129.94 2jqg n LEU 94 Ca -0.05 -2.00 0.41 0.00 -0.01 0.00 0.00 56.01 54.37 2jqg n LEU 94 Cb 0.47 -0.37 0.77 0.00 -0.11 0.00 0.00 43.42 44.18 2jqg n LEU 94 CO 0.05 0.87 1.38 0.45 -1.51 0.00 0.00 177.39 178.62 2jqg h HIS 95 N 3.22 0.00 -0.08 -1.77 3.86 -1.89 -1.83 115.15 116.66 2jqg h HIS 95 Ca 0.00 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.04 2jqg h HIS 95 Cb 0.87 0.00 -0.26 0.00 1.06 0.00 0.00 27.41 29.08 2jqg h HIS 95 CO 0.37 0.00 -0.66 -1.91 0.86 0.00 0.00 177.93 176.59 2jqg n GLU 96 N -4.05 0.61 0.00 2.45 2.13 -1.26 -4.38 120.64 116.13 2jqg n GLU 96 Ca 0.31 -1.80 0.00 0.00 0.66 0.00 0.00 57.16 56.33 2jqg n GLU 96 Cb 1.51 -0.06 0.00 0.00 0.27 0.00 0.00 31.44 33.16 2jqg n GLU 96 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jqg n GLY 97 N -0.30 0.54 0.00 8.31 0.00 -0.69 -5.06 105.19 108.00 2jqg n GLY 97 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2jqg n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jqg n GLY 98 N 5.00 -0.65 0.12 -0.02 0.00 -1.26 -4.77 105.19 103.61 2jqg n GLY 98 Ca 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.31 2jqg n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jqg h PRO 99 N 0.00 -0.25 -0.23 1.61 0.13 -1.92 -3.27 132.00 128.06 2jqg h PRO 99 Ca 0.00 0.02 0.07 0.00 -0.87 0.00 0.00 66.00 65.21 2jqg h PRO 99 Cb 0.00 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.18 2jqg h PRO 99 CO 0.00 -0.17 0.19 -1.00 -0.23 0.00 0.00 178.00 176.79 2jqg h PRO 100 N -0.59 0.00 -1.89 1.56 0.13 -1.97 -3.09 132.00 126.15 2jqg h PRO 100 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2jqg h PRO 100 Cb 0.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.33 2jqg h PRO 100 CO 0.04 0.00 0.01 0.00 -0.23 0.00 0.00 178.00 177.82 2jqg n ALA 101 N -2.49 0.00 0.00 -0.56 0.00 -1.24 -3.52 120.51 112.70 2jqg n ALA 101 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2jqg n ALA 101 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 2jqg n ALA 101 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jqg n LEU 102 N 1.19 0.00 -0.15 0.00 4.32 -1.26 -4.39 117.00 116.71 2jqg n LEU 102 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.91 2jqg n LEU 102 Cb 0.01 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.81 2jqg n LEU 102 CO 0.01 0.00 1.00 0.58 -1.22 0.00 0.00 177.39 177.75 2jqg h VAL 103 N 0.00 1.17 0.13 4.08 2.07 -1.63 -0.73 116.25 121.33 2jqg h VAL 103 Ca 0.00 -0.43 -0.31 0.00 0.82 0.00 0.00 66.70 66.78 2jqg h VAL 103 Cb 0.00 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2jqg h VAL 103 CO 0.00 0.18 -1.54 0.16 0.02 0.00 0.00 177.57 176.39 2jqg h ILE 104 N 0.59 1.15 -0.47 4.57 3.07 -1.69 -2.69 117.51 122.04 2jqg h ILE 104 Ca 0.16 -2.78 0.00 0.00 1.55 0.00 0.00 64.86 63.79 2jqg h ILE 104 Cb 0.06 2.77 -0.02 0.00 -0.27 0.00 0.00 36.82 39.36 2jqg h ILE 104 CO -0.02 0.82 0.30 -0.25 -1.05 0.00 0.00 178.15 177.95 2jqg h TRP 105 N 0.07 0.60 0.00 0.16 2.91 -1.58 -2.97 115.95 115.15 2jqg h TRP 105 Ca -0.25 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 59.72 2jqg h TRP 105 Cb 2.02 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 30.46 2jqg h TRP 105 CO 0.07 0.39 -0.70 -0.91 -1.03 0.00 0.00 178.44 176.25 2jqg h ASN 106 N 0.63 0.00 0.54 2.65 2.35 -1.28 -3.31 115.58 117.17 2jqg h ASN 106 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2jqg h ASN 106 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2jqg h ASN 106 CO -0.04 0.25 0.00 0.00 -1.65 0.00 0.00 177.43 176.00 2jqg n ILE 107 N -2.97 0.90 -0.29 2.81 3.06 -1.01 -4.18 119.36 117.68 2jqg n ILE 107 Ca -0.01 0.35 -0.07 0.00 -2.50 0.00 0.00 62.75 60.52 2jqg n ILE 107 Cb 0.65 -1.29 -0.07 0.00 0.54 0.00 0.00 39.64 39.48 2jqg n ILE 107 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 2jqg n LYS 108 N -2.20 -0.30 0.00 9.51 4.81 -1.21 0.66 118.16 129.43 2jqg n LYS 108 Ca 0.01 1.05 0.14 0.00 -0.87 0.00 0.00 58.31 58.64 2jqg n LYS 108 Cb 0.18 -1.55 0.54 0.00 0.02 0.00 0.00 35.03 34.22 2jqg n LYS 108 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2jqg n HIS 109 N -4.88 0.00 0.03 5.64 8.25 -1.26 -3.60 115.22 119.40 2jqg n HIS 109 Ca 0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.39 2jqg n HIS 109 Cb 0.19 -0.31 -0.13 0.00 1.12 0.00 0.00 29.99 30.86 2jqg n HIS 109 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2jqg h LEU 110 N 0.22 0.06-10.31 2.41 -0.00 -0.01 -3.46 115.31 104.22 2jqg h LEU 110 Ca 0.00 -0.08 -0.51 0.00 -0.00 0.00 0.00 57.88 57.29 2jqg h LEU 110 Cb 0.43 -0.02 0.15 0.00 -0.00 0.00 0.00 40.66 41.22 2jqg h LEU 110 CO 0.00 1.07 0.29 -0.76 -0.00 0.00 0.00 178.44 179.03 2jqg s LEU 111 N -6.53 2.83 -0.65 1.67 1.43 0.19 -4.96 118.68 112.66 2jqg s LEU 111 Ca -0.02 1.82 0.04 0.00 -1.03 0.00 0.00 54.13 54.94 2jqg s LEU 111 Cb 0.09 -4.40 0.34 0.00 0.03 0.00 0.00 46.19 42.24 2jqg s LEU 111 CO 0.83 -2.35 1.07 1.57 0.23 0.00 0.00 176.35 177.70 2jqg n HIS 112 N -3.73 3.88 -3.80 0.29 -0.00 -1.26 -4.98 115.22 105.62 2jqg n HIS 112 Ca 0.09 -3.80 -0.13 0.00 -0.00 0.00 0.00 57.72 53.89 2jqg n HIS 112 Cb 0.53 -0.59 -0.12 0.00 -0.00 0.00 0.00 29.99 29.81 2jqg n HIS 112 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2jqg s THR 113 N -4.43 -0.01 -0.72 3.57 2.01 -1.26 -5.00 115.64 109.80 2jqg s THR 113 Ca 0.47 0.03 -0.26 0.00 0.31 0.00 0.00 61.69 62.24 2jqg s THR 113 Cb 0.27 -0.27 0.00 0.00 0.01 0.00 0.00 72.50 72.51 2jqg s THR 113 CO -0.14 0.01 1.60 -0.83 -0.69 0.00 0.00 174.62 174.58 2jqg s GLY 114 N 0.28 0.55 0.05 4.40 0.00 -1.26 -4.95 107.32 106.40 2jqg s GLY 114 Ca -0.02 -1.14 -0.13 0.00 0.00 0.00 0.00 44.72 43.44 2jqg s GLY 114 CO -0.01 3.06 0.42 -0.42 0.00 0.00 0.00 173.10 176.15 2jqg s ILE 115 N 7.51 5.03 0.00 0.90 -1.09 -1.26 0.16 121.20 132.45 2jqg s ILE 115 Ca 0.53 0.70 0.00 0.00 -2.23 0.00 0.00 60.65 59.64 2jqg s ILE 115 Cb -0.09 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 2jqg s ILE 115 CO 0.14 0.43 0.00 0.61 -1.23 0.00 0.00 174.94 174.89 2jqg n GLY 116 N 1.36 4.92 1.86 6.18 0.00 -0.32 -4.80 105.19 114.38 2jqg n GLY 116 Ca -0.11 -1.75 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 2jqg n GLY 116 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jqg n THR 117 N 0.00 0.00 -0.16 2.61 -1.04 0.14 -4.30 114.28 111.54 2jqg n THR 117 Ca 0.00 -1.36 -0.05 0.00 -2.04 0.00 0.00 64.05 60.61 2jqg n THR 117 Cb 0.00 0.57 0.14 0.00 -1.82 0.00 0.00 70.33 69.22 2jqg n THR 117 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jqg h ALA 118 N 1.48 1.09 -0.37 2.41 0.00 -1.88 -2.38 119.26 119.61 2jqg h ALA 118 Ca -0.16 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 2jqg h ALA 118 Cb 0.68 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2jqg h ALA 118 CO 0.25 0.59 -0.16 0.77 0.00 0.00 0.00 179.25 180.70 2jqg h SER 119 N 0.86 0.67 -3.56 0.00 0.02 -1.92 -3.39 113.55 106.23 2jqg h SER 119 Ca 0.18 -0.21 -0.64 0.00 -0.84 0.00 0.00 61.79 60.28 2jqg h SER 119 Cb 0.38 -0.18 -0.40 0.00 0.14 0.00 0.00 62.40 62.34 2jqg h SER 119 CO 0.01 0.84 -0.74 -0.60 -1.14 0.00 0.00 176.83 175.20 2jqg s ARG 120 N -4.70 1.35 0.22 3.45 6.06 -0.90 -5.10 118.95 119.33 2jqg s ARG 120 Ca -0.08 -1.54 -0.30 0.00 -2.50 0.00 0.00 55.73 51.31 2jqg s ARG 120 Cb 0.14 -2.81 -0.09 0.00 0.06 0.00 0.00 34.95 32.25 2jqg s ARG 120 CO 0.81 -0.89 1.28 -1.25 -2.50 0.00 0.00 175.30 172.75 2jqg s PRO 121 N 1.15 4.42 0.00 5.12 0.04 -1.21 0.28 135.00 144.80 2jqg s PRO 121 Ca 0.07 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.15 2jqg s PRO 121 Cb -0.19 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.17 2jqg s PRO 121 CO -0.12 -0.18 0.00 0.45 0.04 0.00 0.00 177.00 177.19 2jqg n SER 122 N 2.24 0.00 -0.24 6.66 2.88 -1.26 -4.83 113.62 119.06 2jqg n SER 122 Ca 0.04 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.58 2jqg n SER 122 Cb 0.43 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.00 2jqg n SER 122 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2jqg h GLU 123 N 0.00 0.65 -5.89 -1.46 4.39 0.13 -3.39 114.58 109.02 2jqg h GLU 123 Ca 0.00 -0.04 -0.68 0.00 0.34 0.00 0.00 59.36 58.98 2jqg h GLU 123 Cb 0.00 -0.15 -0.27 0.00 -0.10 0.00 0.00 28.75 28.23 2jqg h GLU 123 CO 0.00 0.43 -0.80 0.14 -1.16 0.00 0.00 179.01 177.62 2jqg s VAL 124 N -6.08 2.74 -0.02 3.13 -7.23 -1.24 -4.35 120.40 107.36 2jqg s VAL 124 Ca -0.13 -0.81 0.02 0.00 -1.81 0.00 0.00 61.98 59.25 2jqg s VAL 124 Cb 0.17 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 35.03 2jqg s VAL 124 CO 0.76 0.56 -0.07 0.00 -0.31 0.00 0.00 175.10 176.05 2jqg n VAL 126 N 3.24 0.00 -0.07 0.00 0.24 -1.26 0.03 118.33 120.50 2jqg n VAL 126 Ca -0.17 -1.12 0.00 0.00 -2.04 0.00 0.00 64.34 61.01 2jqg n VAL 126 Cb 0.55 -1.38 0.00 0.00 -1.47 0.00 0.00 33.84 31.55 2jqg n VAL 126 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2jqg n VAL 127 N -3.67 0.00 -1.58 3.34 0.24 -1.13 -4.33 118.33 111.20 2jqg n VAL 127 Ca 0.17 -0.46 -0.20 0.00 -2.04 0.00 0.00 64.34 61.80 2jqg n VAL 127 Cb 0.59 1.07 -0.06 0.00 -1.47 0.00 0.00 33.84 33.97 2jqg n VAL 127 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2jqg s ASP 128 N -0.09 4.07 -0.70 -1.34 2.15 -1.26 -1.24 116.67 118.26 2jqg s ASP 128 Ca 0.00 0.33 0.00 0.00 0.43 0.00 0.00 52.55 53.31 2jqg s ASP 128 Cb 0.00 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 2jqg s ASP 128 CO 0.00 -3.57 0.00 0.61 -0.17 0.00 0.00 175.17 172.04 2jqg n GLY 129 N 6.58 0.19 3.89 2.66 0.00 -1.26 -4.82 105.19 112.43 2jqg n GLY 129 Ca 0.44 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 2jqg n GLY 129 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jqg s THR 130 N -2.38 5.28 0.34 2.61 2.01 -0.38 -4.92 115.64 118.21 2jqg s THR 130 Ca 0.00 0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.13 2jqg s THR 130 Cb 0.00 -3.59 0.11 0.00 0.01 0.00 0.00 72.50 69.02 2jqg s THR 130 CO 0.00 0.25 1.82 0.44 -0.69 0.00 0.00 174.62 176.44 2jqg h ASP 131 N 3.57 0.25 -3.22 3.53 3.32 -1.89 -3.43 116.42 118.55 2jqg h ASP 131 Ca -0.48 -0.07 -0.57 0.00 0.02 0.00 0.00 57.03 55.92 2jqg h ASP 131 Cb 1.18 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.62 2jqg h ASP 131 CO 0.69 0.51 -0.08 -0.04 -1.72 0.00 0.00 179.24 178.60 2jqg s MET 132 N -4.49 4.08 0.00 3.56 -1.94 -1.26 -5.02 119.30 114.22 2jqg s MET 132 Ca -0.05 0.60 0.00 0.00 -1.71 0.00 0.00 55.69 54.53 2jqg s MET 132 Cb 0.15 -3.13 0.00 0.00 2.01 0.00 0.00 34.83 33.85 2jqg s MET 132 CO 0.75 0.60 0.00 0.00 -0.01 0.00 0.00 175.02 176.36 2jqg h LEU 134 N 0.00 0.00 -0.94 0.00 -0.00 -1.91 0.70 115.31 113.16 2jqg h LEU 134 Ca 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 57.88 58.10 2jqg h LEU 134 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 40.54 2jqg h LEU 134 CO 0.00 -0.00 0.49 0.00 -0.00 0.00 0.00 178.44 178.93 2jqg h ALA 135 N 1.28 1.58 -3.00 1.53 0.00 -1.94 -3.35 119.26 115.36 2jqg h ALA 135 Ca 0.68 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.73 2jqg h ALA 135 Cb 2.74 0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.59 2jqg h ALA 135 CO -0.01 -0.27 0.00 -0.25 0.00 0.00 0.00 179.25 178.72 2jqg n ASP 136 N -4.95 0.00 -3.15 0.00 8.00 0.25 -5.06 116.55 111.64 2jqg n ASP 136 Ca 0.24 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.79 2jqg n ASP 136 Cb 0.67 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.76 2jqg n ASP 136 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2jqg s PHE 137 N 0.00 -0.61 0.00 1.24 0.08 -1.26 -5.00 117.98 112.44 2jqg s PHE 137 Ca 0.00 0.40 0.00 0.00 0.12 0.00 0.00 56.93 57.45 2jqg s PHE 137 Cb 0.00 0.12 0.00 0.00 -0.57 0.00 0.00 43.02 42.57 2jqg s PHE 137 CO 0.00 -0.35 0.00 1.58 -0.10 0.00 0.00 175.22 176.35 2jqg n HIS 138 N 5.20 0.00 -3.46 0.36 -0.00 -1.26 -4.27 115.22 111.78 2jqg n HIS 138 Ca 0.06 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 58.01 2jqg n HIS 138 Cb 0.57 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 30.47 2jqg n HIS 138 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jqg s ALA 139 N -1.00 4.63 0.00 1.57 0.00 -1.23 -2.39 121.76 123.34 2jqg s ALA 139 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.26 2jqg s ALA 139 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 22.03 2jqg s ALA 139 CO 0.00 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.46 2jqg n GLY 140 N -2.06 -2.63 3.35 0.00 0.00 -1.06 0.19 105.19 102.99 2jqg n GLY 140 Ca 0.08 -1.29 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 2jqg n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jqg s ILE 141 N -2.13 3.96 0.19 -0.61 1.01 -0.22 -3.12 121.20 120.27 2jqg s ILE 141 Ca 0.00 -0.63 0.09 0.00 0.00 0.00 0.00 60.65 60.11 2jqg s ILE 141 Cb 0.00 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 2jqg s ILE 141 CO 0.00 0.13 -0.10 -0.36 0.00 0.00 0.00 174.94 174.60 2jqg s PHE 142 N 1.51 2.61 -0.19 3.97 0.40 -1.14 -2.35 117.98 122.78 2jqg s PHE 142 Ca 0.03 -0.23 -0.08 0.00 -0.60 0.00 0.00 56.93 56.05 2jqg s PHE 142 Cb -0.17 -1.27 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 2jqg s PHE 142 CO 0.02 0.52 0.08 -0.51 0.70 0.00 0.00 175.22 176.03 2jqg s LEU 143 N -2.85 3.90 -0.22 -0.37 1.43 0.15 -3.47 118.68 117.26 2jqg s LEU 143 Ca 0.25 0.11 -0.05 0.00 -1.03 0.00 0.00 54.13 53.40 2jqg s LEU 143 Cb -0.09 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 2jqg s LEU 143 CO 0.15 0.16 0.00 -0.75 0.23 0.00 0.00 176.35 176.14 2jqg s LYS 144 N 0.44 3.55 6.40 1.70 2.20 -1.22 -4.73 119.74 128.08 2jqg s LYS 144 Ca 0.04 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 55.11 2jqg s LYS 144 Cb -0.12 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 2jqg s LYS 144 CO 0.00 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.31 2jqg n GLY 145 N 4.54 3.38 0.00 5.54 0.00 -1.26 -3.91 105.19 113.48 2jqg n GLY 145 Ca -0.17 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2jqg n GLY 145 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2jqg n GLN 146 N 14.00 0.00 -1.69 1.61 7.27 -1.26 -4.80 117.38 132.51 2jqg n GLN 146 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.85 2jqg n GLN 146 Cb 0.00 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.59 2jqg n GLN 146 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2jqg s GLU 147 N 2.08 1.94 -0.12 3.69 2.02 -1.26 -4.85 118.70 122.20 2jqg s GLU 147 Ca 0.00 0.53 -0.05 0.00 0.02 0.00 0.00 54.97 55.47 2jqg s GLU 147 Cb 0.00 -4.77 0.06 0.00 0.10 0.00 0.00 34.13 29.52 2jqg s GLU 147 CO 0.00 -3.91 0.25 -1.58 0.02 0.00 0.00 175.26 170.03 2jqg s HIS 148 N 13.05 -0.38 -0.28 1.61 2.46 -1.25 -5.05 115.29 125.44 2jqg s HIS 148 Ca 0.88 0.90 -0.16 0.00 0.47 0.00 0.00 55.06 57.14 2jqg s HIS 148 Cb -0.12 -0.04 -0.03 0.00 -0.13 0.00 0.00 32.58 32.26 2jqg s HIS 148 CO 0.11 -0.32 0.44 0.00 -2.47 0.00 0.00 174.74 172.49 2jqg s ALA 149 N 2.16 3.55 0.04 1.58 0.00 -1.26 -3.39 121.76 124.44 2jqg s ALA 149 Ca -0.01 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.17 2jqg s ALA 149 Cb -0.12 -2.82 -0.02 0.00 0.00 0.00 0.00 23.12 20.16 2jqg s ALA 149 CO -0.08 -0.80 -0.10 0.14 0.00 0.00 0.00 175.76 174.92 2jqg s VAL 150 N 2.19 0.76 -0.03 0.00 -7.23 -1.23 -4.70 120.40 110.17 2jqg s VAL 150 Ca 0.17 -0.98 0.01 0.00 -1.81 0.00 0.00 61.98 59.37 2jqg s VAL 150 Cb -0.16 -0.75 0.02 0.00 0.56 0.00 0.00 36.38 36.05 2jqg s VAL 150 CO 0.10 -0.19 -0.03 -0.36 -0.31 0.00 0.00 175.10 174.31 2jqg s PHE 151 N -1.06 0.51 0.41 2.82 0.40 -1.26 -2.90 117.98 116.90 2jqg s PHE 151 Ca -0.04 -0.10 0.07 0.00 -0.60 0.00 0.00 56.93 56.26 2jqg s PHE 151 Cb -0.08 -0.48 -0.06 0.00 0.51 0.00 0.00 43.02 42.91 2jqg s PHE 151 CO 0.01 -0.13 0.16 0.00 0.70 0.00 0.00 175.22 175.96 2jqg s ALA 152 N 0.75 3.53 -0.28 5.36 0.00 -1.18 -1.37 121.76 128.56 2jqg s ALA 152 Ca -0.09 -2.13 -0.19 0.00 0.00 0.00 0.00 51.96 49.55 2jqg s ALA 152 Cb -0.12 -0.32 0.10 0.00 0.00 0.00 0.00 23.12 22.78 2jqg s ALA 152 CO -0.01 -0.16 0.81 0.00 0.00 0.00 0.00 175.76 176.41 2jqg n VAL 154 N 3.60 0.37 -2.05 0.00 0.31 -1.01 -2.70 118.33 116.85 2jqg n VAL 154 Ca -0.18 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 2jqg n VAL 154 Cb 0.58 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 2jqg n VAL 154 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2jqg n THR 155 N 5.40 0.00 0.30 2.52 -2.24 0.27 0.49 114.28 121.01 2jqg n THR 155 Ca 0.29 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.19 2jqg n THR 155 Cb 0.20 -0.65 0.59 0.00 -2.10 0.00 0.00 70.33 68.37 2jqg n THR 155 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2jqg h SER 156 N 0.00 0.00 -0.25 3.42 4.64 -1.72 -2.30 113.55 117.34 2jqg h SER 156 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jqg h SER 156 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2jqg h SER 156 CO 0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 2jqg n ASN 157 N -2.37 2.65 0.00 4.97 3.02 -1.26 -5.10 115.26 117.17 2jqg n ASN 157 Ca 0.00 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 2jqg n ASN 157 Cb 0.15 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 2jqg n ASN 157 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jqg n GLY 158 N 0.28 -0.71 3.55 7.41 0.00 -0.87 -4.81 105.19 110.04 2jqg n GLY 158 Ca 0.09 -1.91 -0.24 0.00 0.00 0.00 0.00 46.02 43.95 2jqg n GLY 158 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2jqg n TRP 159 N 0.00 1.18 -4.00 1.61 4.27 -1.26 0.97 117.44 120.21 2jqg n TRP 159 Ca 0.00 0.06 -0.34 0.00 -3.89 0.00 0.00 57.50 53.33 2jqg n TRP 159 Cb 0.00 -2.50 -0.15 0.00 -1.36 0.00 0.00 31.31 27.30 2jqg n TRP 159 CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 2jqg s TYR 160 N 12.72 2.91 0.06 -2.67 1.51 -1.10 -0.97 117.35 129.81 2jqg s TYR 160 Ca 0.99 -1.34 0.04 0.00 -1.01 0.00 0.00 57.07 55.76 2jqg s TYR 160 Cb -0.24 -2.02 -0.04 0.00 -0.11 0.00 0.00 41.96 39.55 2jqg s TYR 160 CO 0.20 -0.69 -0.03 0.00 -1.11 0.00 0.00 175.55 173.92 2jqg s ALA 161 N 1.37 3.16 -0.53 3.71 0.00 0.05 -1.74 121.76 127.79 2jqg s ALA 161 Ca 0.04 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 50.92 2jqg s ALA 161 Cb -0.14 -1.14 0.14 0.00 0.00 0.00 0.00 23.12 21.97 2jqg s ALA 161 CO -0.07 0.66 0.29 0.96 0.00 0.00 0.00 175.76 177.60 2jqg s ILE 162 N -1.19 2.92 -0.23 0.00 -4.36 -0.47 -1.68 121.20 116.18 2jqg s ILE 162 Ca 0.22 -3.09 -0.26 0.00 -0.26 0.00 0.00 60.65 57.26 2jqg s ILE 162 Cb -0.11 -2.99 0.00 0.00 1.25 0.00 0.00 42.46 40.60 2jqg s ILE 162 CO 0.14 -0.80 0.91 -1.81 0.24 0.00 0.00 174.94 173.62 2jqg s ASP 163 N 0.17 6.94 0.00 4.36 1.01 -1.05 -4.57 116.67 123.55 2jqg s ASP 163 Ca 0.16 1.18 0.00 0.00 0.71 0.00 0.00 52.55 54.60 2jqg s ASP 163 Cb -0.24 -2.48 0.00 0.00 1.01 0.00 0.00 42.92 41.22 2jqg s ASP 163 CO -0.02 -0.57 0.00 0.47 0.21 0.00 0.00 175.17 175.26 2jqg n ASP 164 N 6.07 0.00 -0.21 0.27 8.00 -1.25 -0.56 116.55 128.87 2jqg n ASP 164 Ca 0.08 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.59 2jqg n ASP 164 Cb 0.47 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.62 2jqg n ASP 164 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jqg n GLU 165 N 0.00 -0.10 -3.90 -1.24 1.02 -1.24 0.18 120.64 115.36 2jqg n GLU 165 Ca 0.00 0.88 -0.00 0.00 -0.02 0.00 0.00 57.16 58.02 2jqg n GLU 165 Cb 0.00 -1.31 0.01 0.00 -0.02 0.00 0.00 31.44 30.12 2jqg n GLU 165 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2jqg s ASP 166 N -5.18 -0.01 -0.14 1.62 2.15 0.28 -4.41 116.67 110.97 2jqg s ASP 166 Ca -0.08 -0.41 -0.17 0.00 0.43 0.00 0.00 52.55 52.32 2jqg s ASP 166 Cb 0.13 0.32 -0.04 0.00 -0.30 0.00 0.00 42.92 43.02 2jqg s ASP 166 CO 0.42 -0.62 0.41 -0.36 -0.17 0.00 0.00 175.17 174.85 2jqg s PHE 167 N -2.18 3.48 0.26 -5.34 0.08 -1.26 -2.52 117.98 110.50 2jqg s PHE 167 Ca 0.24 0.76 -0.16 0.00 0.12 0.00 0.00 56.93 57.89 2jqg s PHE 167 Cb -0.01 -2.48 0.01 0.00 -0.57 0.00 0.00 43.02 39.96 2jqg s PHE 167 CO 0.02 0.16 0.59 1.52 -0.10 0.00 0.00 175.22 177.41 2jqg s TYR 168 N 0.68 0.13 -0.25 0.36 -0.85 -0.68 -4.96 117.35 111.78 2jqg s TYR 168 Ca 0.22 -0.53 -0.29 0.00 -0.52 0.00 0.00 57.07 55.95 2jqg s TYR 168 Cb -0.14 0.42 -0.03 0.00 0.38 0.00 0.00 41.96 42.59 2jqg s TYR 168 CO 0.08 -1.11 1.70 -1.25 -1.52 0.00 0.00 175.55 173.45 2jqg s PRO 169 N -3.95 3.65 0.00 -3.49 0.04 -1.26 -0.77 135.00 129.22 2jqg s PRO 169 Ca 0.17 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.84 2jqg s PRO 169 Cb -0.03 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.41 2jqg s PRO 169 CO 0.08 -1.48 0.00 1.87 0.04 0.00 0.00 177.00 177.52 2jqg n TRP 170 N 9.06 0.00 -0.92 0.56 -0.00 -0.15 -4.83 117.44 121.17 2jqg n TRP 170 Ca 0.20 0.00 -0.22 0.00 -0.00 0.00 0.00 57.50 57.48 2jqg n TRP 170 Cb 0.46 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 31.66 2jqg n TRP 170 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 2jqg n THR 171 N 0.00 0.00 -0.04 5.87 -1.04 -1.25 -4.76 114.28 113.05 2jqg n THR 171 Ca 0.00 -0.07 -0.09 0.00 -2.04 0.00 0.00 64.05 61.85 2jqg n THR 171 Cb 0.00 -0.24 -0.15 0.00 -1.82 0.00 0.00 70.33 68.13 2jqg n THR 171 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2jqg n PRO 172 N 4.78 0.65 -4.06 -2.82 -0.04 -1.26 -4.56 135.00 127.69 2jqg n PRO 172 Ca 0.41 0.21 -0.10 0.00 -0.04 0.00 0.00 63.50 63.98 2jqg n PRO 172 Cb 0.03 -1.72 -0.07 0.00 -0.04 0.00 0.00 33.50 31.71 2jqg n PRO 172 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2jqg s ASP 173 N -5.97 0.03 -0.41 3.54 1.47 -1.26 -4.89 116.67 109.18 2jqg s ASP 173 Ca -0.07 -1.09 -0.05 0.00 1.18 0.00 0.00 52.55 52.51 2jqg s ASP 173 Cb 0.07 0.53 -0.08 0.00 -0.34 0.00 0.00 42.92 43.11 2jqg s ASP 173 CO 0.82 -1.06 3.11 -0.81 0.68 0.00 0.00 175.17 177.91 2jqg n PRO 174 N -0.36 2.48 0.07 2.11 -0.04 -1.26 -4.52 135.00 133.49 2jqg n PRO 174 Ca -0.00 -1.87 -0.14 0.00 -0.04 0.00 0.00 63.50 61.44 2jqg n PRO 174 Cb 0.63 -2.16 -0.14 0.00 -0.04 0.00 0.00 33.50 31.79 2jqg n PRO 174 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jqg h SER 175 N 3.24 0.32 0.00 3.54 4.64 -2.00 -3.39 113.55 119.91 2jqg h SER 175 Ca 0.36 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2jqg h SER 175 Cb 0.99 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2jqg h SER 175 CO 0.71 1.31 0.00 0.47 -0.87 0.00 0.00 176.83 178.45 2jqg n ASP 176 N -3.44 1.18 -4.58 4.97 8.00 -1.26 -5.00 116.55 116.41 2jqg n ASP 176 Ca -0.10 -1.45 -0.30 0.00 0.71 0.00 0.00 54.79 53.65 2jqg n ASP 176 Cb 1.02 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 42.02 2jqg n ASP 176 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2jqg s VAL 177 N -0.45 3.45 -0.33 2.53 0.11 -1.25 0.32 120.40 124.79 2jqg s VAL 177 Ca 0.00 -1.14 0.15 0.00 -2.93 0.00 0.00 61.98 58.06 2jqg s VAL 177 Cb 0.00 -2.59 0.46 0.00 -1.53 0.00 0.00 36.38 32.73 2jqg s VAL 177 CO 0.00 0.18 1.06 0.18 -3.33 0.00 0.00 175.10 173.19 2jqg n LEU 178 N 0.91 2.64 -3.65 2.54 7.99 -0.99 -4.90 117.00 121.53 2jqg n LEU 178 Ca -0.14 -4.00 0.00 0.00 -0.01 0.00 0.00 56.01 51.86 2jqg n LEU 178 Cb 0.52 0.15 -0.06 0.00 -0.11 0.00 0.00 43.42 43.92 2jqg n LEU 178 CO 0.33 1.65 0.95 0.54 -1.51 0.00 0.00 177.39 179.35 2jqg s VAL 179 N -4.01 0.00 0.39 4.08 0.11 -1.26 -2.85 120.40 116.87 2jqg s VAL 179 Ca 0.35 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.44 2jqg s VAL 179 Cb 0.41 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 34.23 2jqg s VAL 179 CO -0.03 0.00 0.17 0.72 -3.33 0.00 0.00 175.10 172.63 2jqg s PHE 180 N 0.91 1.77 -0.45 1.54 -0.71 0.10 -1.05 117.98 120.09 2jqg s PHE 180 Ca -0.05 -1.39 0.04 0.00 -1.04 0.00 0.00 56.93 54.48 2jqg s PHE 180 Cb -0.03 -1.05 0.12 0.00 -1.21 0.00 0.00 43.02 40.85 2jqg s PHE 180 CO -0.12 -0.45 0.19 0.08 -1.34 0.00 0.00 175.22 173.59 2jqg s VAL 181 N -3.27 2.29 -0.24 -2.49 1.01 0.51 -1.81 120.40 116.40 2jqg s VAL 181 Ca 0.27 -2.87 -0.28 0.00 0.00 0.00 0.00 61.98 59.10 2jqg s VAL 181 Cb 0.02 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 2jqg s VAL 181 CO 0.18 -0.75 2.24 -2.16 0.00 0.00 0.00 175.10 174.61 2jqg s PRO 182 N 0.20 3.04 0.00 2.72 0.04 -1.26 -3.54 135.00 136.20 2jqg s PRO 182 Ca 0.15 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2jqg s PRO 182 Cb -0.23 -4.39 0.00 0.00 0.04 0.00 0.00 34.50 29.91 2jqg s PRO 182 CO -0.03 -2.21 0.00 2.48 0.04 0.00 0.00 177.00 177.28 2jqg n TYR 183 N 12.07 -0.12 -2.42 0.56 4.11 -1.26 -4.86 117.16 125.24 2jqg n TYR 183 Ca 0.30 0.00 -0.43 0.00 -0.00 0.00 0.00 57.90 57.78 2jqg n TYR 183 Cb 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.77 2jqg n TYR 183 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 2jqg s ASP 184 N -1.64 6.99 0.42 9.48 2.15 -1.26 -5.02 116.67 127.79 2jqg s ASP 184 Ca 0.00 1.80 -0.10 0.00 0.43 0.00 0.00 52.55 54.68 2jqg s ASP 184 Cb 0.00 -2.55 -0.06 0.00 -0.30 0.00 0.00 42.92 40.01 2jqg s ASP 184 CO 0.00 -0.67 0.79 -1.58 -0.17 0.00 0.00 175.17 173.54 2jqg s GLN 185 N 2.75 3.77 0.31 4.34 0.74 -1.26 -5.00 119.66 125.30 2jqg s GLN 185 Ca 0.56 0.49 -0.29 0.00 0.05 0.00 0.00 55.36 56.17 2jqg s GLN 185 Cb -0.24 -2.37 -0.13 0.00 1.10 0.00 0.00 33.01 31.37 2jqg s GLN 185 CO 0.20 -0.08 1.29 -1.91 -0.55 0.00 0.00 175.29 174.24 2jqg n GLU 186 N -1.42 2.03 -1.83 1.67 2.13 -1.26 -4.94 120.64 117.02 2jqg n GLU 186 Ca 0.03 0.71 -0.33 0.00 0.66 0.00 0.00 57.16 58.23 2jqg n GLU 186 Cb 0.54 -2.29 0.04 0.00 0.27 0.00 0.00 31.44 29.99 2jqg n GLU 186 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2jqg s PRO 187 N -1.45 2.92 0.27 5.31 0.04 -1.26 -5.02 135.00 135.81 2jqg s PRO 187 Ca 0.59 1.36 -0.20 0.00 0.04 0.00 0.00 61.00 62.80 2jqg s PRO 187 Cb -0.60 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 31.88 2jqg s PRO 187 CO 0.59 -1.15 0.77 -0.51 0.04 0.00 0.00 177.00 176.74 2jqg s LEU 188 N -4.75 4.25 -0.14 -3.56 1.43 -1.26 -5.06 118.68 109.59 2jqg s LEU 188 Ca 0.67 1.47 -0.07 0.00 -1.03 0.00 0.00 54.13 55.16 2jqg s LEU 188 Cb -0.20 -3.83 -0.04 0.00 0.03 0.00 0.00 46.19 42.15 2jqg s LEU 188 CO 0.40 -0.06 0.13 0.20 0.23 0.00 0.00 176.35 177.24 2jqg s ASN 189 N -1.83 6.25 0.80 2.29 0.02 -1.26 -5.10 114.94 116.11 2jqg s ASN 189 Ca 0.48 0.38 -0.04 0.00 -1.02 0.00 0.00 52.86 52.67 2jqg s ASN 189 Cb -0.15 -2.03 0.07 0.00 0.02 0.00 0.00 41.25 39.16 2jqg s ASN 189 CO 0.20 0.35 0.43 0.61 0.02 0.00 0.00 177.10 178.71 2jqg n GLY 190 N 2.37 -0.45 7.00 0.66 0.00 -1.26 -4.93 105.19 108.58 2jqg n GLY 190 Ca -0.19 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2jqg n GLY 190 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jqg n GLU 191 N -1.86 0.00 -3.02 1.61 -0.58 -1.26 -4.93 120.64 110.59 2jqg n GLU 191 Ca 0.06 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.68 2jqg n GLU 191 Cb 0.21 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.09 2jqg n GLU 191 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 2jqg n TRP 192 N -0.27 -2.85 -2.76 -0.32 7.02 -1.26 -4.90 117.44 112.08 2jqg n TRP 192 Ca 0.00 1.20 -0.41 0.00 -1.02 0.00 0.00 57.50 57.28 2jqg n TRP 192 Cb 0.00 -3.02 -0.05 0.00 -2.42 0.00 0.00 31.31 25.82 2jqg n TRP 192 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 2jqg s LYS 193 N -2.04 4.69 0.03 -0.99 2.20 -1.26 -5.05 119.74 117.33 2jqg s LYS 193 Ca 0.17 1.41 -0.02 0.00 -0.36 0.00 0.00 55.97 57.16 2jqg s LYS 193 Cb -0.03 -3.36 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 2jqg s LYS 193 CO 0.67 0.26 0.02 0.00 -0.36 0.00 0.00 175.35 175.93 2jqg s ALA 194 N -0.14 0.14 0.00 3.13 0.00 -1.26 -5.31 121.76 118.32 2jqg s ALA 194 Ca 0.45 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2jqg s ALA 194 Cb -0.23 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.10 2jqg s ALA 194 CO 0.29 -0.27 0.00 1.63 0.00 0.00 0.00 175.76 177.41