#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gub s VAL 3 N 0.00 3.66 0.46 12.58 1.01 -1.26 -5.05 120.40 131.80 3gub s VAL 3 Ca 0.00 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.07 3gub s VAL 3 Cb 0.00 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3gub s VAL 3 CO 0.00 0.25 0.20 -0.36 0.00 0.00 0.00 175.10 175.18 3gub s PHE 4 N -1.14 2.26 0.07 5.22 0.08 -1.26 -5.07 117.98 118.13 3gub s PHE 4 Ca 0.20 -0.71 -0.31 0.00 0.12 0.00 0.00 56.93 56.24 3gub s PHE 4 Cb -0.11 -1.89 -0.10 0.00 -0.57 0.00 0.00 43.02 40.35 3gub s PHE 4 CO 0.12 0.05 1.91 0.54 -0.10 0.00 0.00 175.22 177.74 3gub n ARG 5 N -1.36 2.80 -0.22 0.44 1.74 -0.98 -4.64 116.66 114.44 3gub n ARG 5 Ca -0.04 1.02 0.09 0.00 -0.77 0.00 0.00 57.85 58.15 3gub n ARG 5 Cb 0.65 -2.94 0.21 0.00 -1.02 0.00 0.00 32.46 29.35 3gub n ARG 5 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3gub n GLN 6 N 6.65 2.47 -1.47 5.56 6.02 -1.26 -0.42 117.38 134.94 3gub n GLN 6 Ca 0.19 -2.21 -0.32 0.00 -0.01 0.00 0.00 57.00 54.65 3gub n GLN 6 Cb 0.39 -1.42 0.08 0.00 1.02 0.00 0.00 30.24 30.30 3gub n GLN 6 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3gub s GLU 7 N -1.14 2.38 0.04 -1.09 2.02 -1.26 -4.93 118.70 114.72 3gub s GLU 7 Ca 0.34 1.40 -0.30 0.00 0.02 0.00 0.00 54.97 56.42 3gub s GLU 7 Cb 0.19 -1.90 -0.07 0.00 0.10 0.00 0.00 34.13 32.45 3gub s GLU 7 CO 0.25 -1.58 1.58 1.21 0.02 0.00 0.00 175.26 176.74 3gub s ASN 8 N -2.74 6.68 0.27 -0.19 3.84 -1.26 -4.78 114.94 116.76 3gub s ASN 8 Ca 0.66 2.36 -0.01 0.00 0.21 0.00 0.00 52.86 56.09 3gub s ASN 8 Cb -0.21 -2.56 0.59 0.00 -0.55 0.00 0.00 41.25 38.52 3gub s ASN 8 CO 0.48 -0.84 1.69 0.58 -2.79 0.00 0.00 177.10 176.22 3gub h VAL 9 N 4.88 0.50 0.00 -5.21 2.07 -1.94 -1.41 116.25 115.14 3gub h VAL 9 Ca -0.41 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3gub h VAL 9 Cb 1.19 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3gub h VAL 9 CO 0.92 0.06 0.00 0.47 0.02 0.00 0.00 177.57 179.05 3gub n ASP 10 N -5.10 0.45 0.23 0.57 8.00 -1.26 -0.80 116.55 118.65 3gub n ASP 10 Ca 0.18 0.66 0.12 0.00 0.71 0.00 0.00 54.79 56.46 3gub n ASP 10 Cb 0.55 -0.73 0.44 0.00 -0.02 0.00 0.00 41.12 41.36 3gub n ASP 10 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3gub h ASP 11 N 0.00 0.00 0.00 -2.24 3.32 -1.64 -3.36 116.42 112.50 3gub h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gub h ASP 11 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3gub h ASP 11 CO 0.00 0.12 -0.86 -1.22 -1.72 0.00 0.00 179.24 175.56 3gub n TYR 12 N -3.21 0.00 -4.04 4.55 4.01 0.02 -4.97 117.16 113.52 3gub n TYR 12 Ca 0.01 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.63 3gub n TYR 12 Cb 0.44 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.35 3gub n TYR 12 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3gub s TYR 13 N -1.83 0.48 -0.12 -0.72 2.02 -0.27 -0.59 117.35 116.32 3gub s TYR 13 Ca 0.00 -0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 56.24 3gub s TYR 13 Cb 0.00 -0.30 -0.04 0.00 -0.40 0.00 0.00 41.96 41.22 3gub s TYR 13 CO 0.00 -0.09 0.07 -0.51 -1.57 0.00 0.00 175.55 173.45 3gub s ASP 14 N -1.20 5.80 0.15 2.29 1.01 -0.58 -4.23 116.67 119.91 3gub s ASP 14 Ca -0.09 0.26 0.02 0.00 0.71 0.00 0.00 52.55 53.45 3gub s ASP 14 Cb -0.08 -1.83 -0.04 0.00 1.01 0.00 0.00 42.92 41.98 3gub s ASP 14 CO -0.00 0.34 0.29 0.42 0.21 0.00 0.00 175.17 176.44 3gub s THR 15 N -0.65 5.31 0.00 -1.27 -4.23 -1.26 -0.61 115.64 112.93 3gub s THR 15 Ca 0.12 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 3gub s THR 15 Cb -0.12 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 69.99 3gub s THR 15 CO 0.02 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 3gub n GLY 16 N -0.46 3.55 3.72 3.99 0.00 0.14 -4.95 105.19 111.18 3gub n GLY 16 Ca -0.06 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 3gub n GLY 16 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3gub n GLU 17 N 0.00 1.32 -2.59 1.61 0.28 -1.26 -4.57 120.64 115.43 3gub n GLU 17 Ca 0.00 0.50 -0.42 0.00 -0.16 0.00 0.00 57.16 57.08 3gub n GLU 17 Cb 0.00 -2.50 -0.03 0.00 1.43 0.00 0.00 31.44 30.34 3gub n GLU 17 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 3gub s GLU 18 N -3.09 4.47 -0.04 3.44 2.12 -1.26 -0.75 118.70 123.59 3gub s GLU 18 Ca 0.77 1.55 0.17 0.00 0.36 0.00 0.00 54.97 57.82 3gub s GLU 18 Cb -0.40 -3.46 -0.21 0.00 0.26 0.00 0.00 34.13 30.32 3gub s GLU 18 CO 0.45 -0.22 0.54 1.28 -0.54 0.00 0.00 175.26 176.77 3gub n LEU 19 N 4.33 0.50 0.00 2.70 4.77 0.81 -4.92 117.00 125.18 3gub n LEU 19 Ca 0.08 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 3gub n LEU 19 Cb 0.49 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 3gub n LEU 19 CO 0.53 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 3gub n GLY 20 N 1.49 -1.24 3.40 -0.72 0.00 -1.14 -5.00 105.19 101.98 3gub n GLY 20 Ca -0.16 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 3gub n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gub s SER 21 N -4.00 -0.50 0.00 1.61 1.04 -1.26 -0.50 113.70 110.08 3gub s SER 21 Ca 0.00 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.36 3gub s SER 21 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 3gub s SER 21 CO 0.00 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.88 3gub n GLY 22 N -0.35 6.43 0.24 7.32 0.00 0.50 -4.97 105.19 114.36 3gub n GLY 22 Ca -0.17 -1.92 -0.09 0.00 0.00 0.00 0.00 46.02 43.84 3gub n GLY 22 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3gub h GLN 23 N 0.00 -0.46 -0.56 1.61 4.15 -2.02 -3.29 115.11 114.54 3gub h GLN 23 Ca 0.00 0.03 -0.25 0.00 0.77 0.00 0.00 58.65 59.20 3gub h GLN 23 Cb 0.00 0.10 -0.15 0.00 0.21 0.00 0.00 27.48 27.64 3gub h GLN 23 CO 0.00 -0.31 0.16 1.19 -1.93 0.00 0.00 178.83 177.95 3gub n PHE 24 N -3.84 1.75 -3.83 3.99 3.72 -1.26 -5.06 117.46 112.94 3gub n PHE 24 Ca -0.06 -1.54 -0.12 0.00 -0.05 0.00 0.00 57.45 55.68 3gub n PHE 24 Cb 0.22 -0.62 -0.13 0.00 -0.94 0.00 0.00 39.48 38.02 3gub n PHE 24 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gub s ALA 25 N -3.19 -0.32 0.00 4.37 0.00 -1.24 -1.72 121.76 119.67 3gub s ALA 25 Ca 0.49 0.37 0.06 0.00 0.00 0.00 0.00 51.96 52.88 3gub s ALA 25 Cb 0.42 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 3gub s ALA 25 CO 0.05 -0.06 -0.19 0.54 0.00 0.00 0.00 175.76 176.10 3gub s VAL 26 N 0.09 1.54 -0.15 0.00 0.11 -0.90 0.19 120.40 121.27 3gub s VAL 26 Ca -0.00 -0.93 -0.00 0.00 -2.93 0.00 0.00 61.98 58.12 3gub s VAL 26 Cb -0.01 -1.30 -0.01 0.00 -1.53 0.00 0.00 36.38 33.53 3gub s VAL 26 CO 0.00 0.35 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.30 3gub s VAL 27 N -0.56 2.88 0.03 2.04 1.01 0.34 -0.55 120.40 125.60 3gub s VAL 27 Ca 0.07 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.43 3gub s VAL 27 Cb -0.08 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 3gub s VAL 27 CO -0.00 0.51 -0.23 -0.54 0.00 0.00 0.00 175.10 174.84 3gub s LYS 28 N 0.65 1.63 0.37 2.72 1.02 -0.22 -0.14 119.74 125.77 3gub s LYS 28 Ca -0.07 -0.99 -0.28 0.00 0.02 0.00 0.00 55.97 54.65 3gub s LYS 28 Cb -0.16 -1.74 -0.10 0.00 -0.52 0.00 0.00 37.83 35.31 3gub s LYS 28 CO 0.03 0.45 1.36 0.21 -0.92 0.00 0.00 175.35 176.48 3gub s LYS 29 N -1.10 4.17 0.19 1.68 2.20 0.07 -0.44 119.74 126.51 3gub s LYS 29 Ca 0.09 2.30 -0.06 0.00 -0.36 0.00 0.00 55.97 57.95 3gub s LYS 29 Cb -0.09 -2.95 -0.02 0.00 -1.51 0.00 0.00 37.83 33.25 3gub s LYS 29 CO 0.01 -0.38 0.24 0.00 -0.36 0.00 0.00 175.35 174.86 3gub s ARG 31 N -4.06 0.78 -0.02 0.00 3.52 0.21 -1.02 118.95 118.36 3gub s ARG 31 Ca 0.27 -0.05 -0.30 0.00 -0.13 0.00 0.00 55.73 55.52 3gub s ARG 31 Cb 0.04 -0.89 -0.04 0.00 -1.56 0.00 0.00 34.95 32.51 3gub s ARG 31 CO 0.07 -0.15 1.17 -2.00 -0.81 0.00 0.00 175.30 173.58 3gub s GLU 32 N 1.22 4.40 0.22 5.12 2.12 0.41 -1.53 118.70 130.67 3gub s GLU 32 Ca -0.06 1.66 -0.07 0.00 0.36 0.00 0.00 54.97 56.85 3gub s GLU 32 Cb -0.14 -3.48 0.17 0.00 0.26 0.00 0.00 34.13 30.95 3gub s GLU 32 CO -0.02 -0.34 1.79 0.87 -0.54 0.00 0.00 175.26 177.02 3gub h LYS 33 N 7.17 1.19 0.00 4.30 1.57 -1.19 0.60 116.57 130.21 3gub h LYS 33 Ca -0.37 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.12 3gub h LYS 33 Cb 1.18 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 3gub h LYS 33 CO 0.84 0.96 -0.35 0.66 -0.57 0.00 0.00 179.45 180.99 3gub h SER 34 N 1.16 0.00 0.00 0.86 4.64 -1.93 -3.34 113.55 114.94 3gub h SER 34 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3gub h SER 34 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3gub h SER 34 CO -0.02 0.35 -1.15 0.35 -0.87 0.00 0.00 176.83 175.49 3gub n THR 35 N -3.34 0.00 -0.89 2.95 -2.24 -1.18 -5.00 114.28 104.58 3gub n THR 35 Ca 0.01 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3gub n THR 35 Cb 0.57 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 3gub n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gub n GLY 36 N 2.23 0.57 3.81 3.38 0.00 0.19 -5.01 105.19 110.36 3gub n GLY 36 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3gub n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gub s LEU 37 N 0.00 4.06 0.02 0.99 1.43 -1.25 -4.71 118.68 119.21 3gub s LEU 37 Ca 0.00 1.77 0.01 0.00 -1.03 0.00 0.00 54.13 54.88 3gub s LEU 37 Cb 0.00 -4.38 -0.04 0.00 0.03 0.00 0.00 46.19 41.81 3gub s LEU 37 CO 0.00 -0.32 0.08 -1.10 0.23 0.00 0.00 176.35 175.25 3gub s GLN 38 N -2.83 3.02 0.27 1.70 -0.21 -1.26 -0.44 119.66 119.91 3gub s GLN 38 Ca 0.59 -0.55 0.04 0.00 0.02 0.00 0.00 55.36 55.46 3gub s GLN 38 Cb -0.13 -2.82 -0.03 0.00 1.00 0.00 0.00 33.01 31.02 3gub s GLN 38 CO 0.17 0.62 0.22 0.71 -2.12 0.00 0.00 175.29 174.89 3gub s TYR 39 N -1.26 1.50 -0.12 0.91 2.02 -0.19 -4.44 117.35 115.76 3gub s TYR 39 Ca 0.25 -1.54 0.01 0.00 -0.37 0.00 0.00 57.07 55.42 3gub s TYR 39 Cb -0.12 -0.65 -0.01 0.00 -0.40 0.00 0.00 41.96 40.78 3gub s TYR 39 CO 0.17 -0.77 -0.17 0.00 -1.57 0.00 0.00 175.55 173.21 3gub s ALA 40 N -3.75 2.47 -0.23 3.71 0.00 0.26 -1.34 121.76 122.88 3gub s ALA 40 Ca 0.40 -0.92 -0.07 0.00 0.00 0.00 0.00 51.96 51.37 3gub s ALA 40 Cb 0.04 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 3gub s ALA 40 CO 0.21 0.25 0.07 0.00 0.00 0.00 0.00 175.76 176.28 3gub s ALA 41 N 0.37 3.21 -0.37 0.00 0.00 0.41 -0.88 121.76 124.51 3gub s ALA 41 Ca -0.13 -1.03 -0.14 0.00 0.00 0.00 0.00 51.96 50.65 3gub s ALA 41 Cb -0.17 -2.03 -0.00 0.00 0.00 0.00 0.00 23.12 20.93 3gub s ALA 41 CO 0.06 -0.31 0.29 0.21 0.00 0.00 0.00 175.76 176.02 3gub s LYS 42 N 1.29 3.32 -0.37 0.00 2.20 0.98 -1.05 119.74 126.10 3gub s LYS 42 Ca 0.05 -0.73 -0.19 0.00 -0.36 0.00 0.00 55.97 54.74 3gub s LYS 42 Cb -0.15 -3.87 0.00 0.00 -1.51 0.00 0.00 37.83 32.31 3gub s LYS 42 CO 0.03 -0.58 0.55 -0.06 -0.36 0.00 0.00 175.35 174.93 3gub s PHE 43 N 1.79 3.15 -0.21 4.03 0.40 0.29 -1.03 117.98 126.40 3gub s PHE 43 Ca 0.07 0.11 -0.06 0.00 -0.60 0.00 0.00 56.93 56.45 3gub s PHE 43 Cb -0.18 -3.02 -0.03 0.00 0.51 0.00 0.00 43.02 40.30 3gub s PHE 43 CO 0.11 -0.62 0.03 0.42 0.70 0.00 0.00 175.22 175.86 3gub s ILE 44 N 2.49 4.20 0.03 0.64 1.01 0.32 -2.13 121.20 127.76 3gub s ILE 44 Ca 0.20 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.32 3gub s ILE 44 Cb -0.15 -2.92 -0.06 0.00 0.01 0.00 0.00 42.46 39.34 3gub s ILE 44 CO 0.15 0.41 1.43 -0.54 0.00 0.00 0.00 174.94 176.38 3gub s LYS 45 N 1.05 4.28 0.54 2.79 3.01 -0.70 -1.26 119.74 129.46 3gub s LYS 45 Ca 0.03 2.03 -0.18 0.00 -1.01 0.00 0.00 55.97 56.84 3gub s LYS 45 Cb -0.14 -3.51 -0.06 0.00 -1.01 0.00 0.00 37.83 33.11 3gub s LYS 45 CO 0.02 -0.57 1.05 0.15 0.51 0.00 0.00 175.35 176.52 3gub s LYS 46 N 2.17 3.53 0.29 1.68 1.02 -0.00 -0.29 119.74 128.13 3gub s LYS 46 Ca 0.65 1.30 -0.29 0.00 0.02 0.00 0.00 55.97 57.65 3gub s LYS 46 Cb -0.34 -2.06 -0.10 0.00 -0.52 0.00 0.00 37.83 34.81 3gub s LYS 46 CO 0.28 -0.65 1.43 1.03 -0.92 0.00 0.00 175.35 176.51 3gub s ARG 47 N -3.67 4.26 0.16 1.68 0.52 -1.05 -4.52 118.95 116.33 3gub s ARG 47 Ca 0.66 2.33 0.21 0.00 -0.52 0.00 0.00 55.73 58.41 3gub s ARG 47 Cb -0.17 -3.08 -0.04 0.00 0.52 0.00 0.00 34.95 32.18 3gub s ARG 47 CO 0.29 -0.39 0.97 2.89 0.02 0.00 0.00 175.30 179.08 3gub n ARG 48 N 1.75 0.61 -4.16 3.54 -4.01 -1.26 -4.93 116.66 108.19 3gub n ARG 48 Ca 0.05 0.14 -0.12 0.00 -1.04 0.00 0.00 57.85 56.88 3gub n ARG 48 Cb 0.40 -1.81 -0.09 0.00 -3.04 0.00 0.00 32.46 27.92 3gub n ARG 48 CO 0.00 0.00 0.00 0.95 -3.04 0.00 0.00 177.63 175.54 3gub s THR 49 N -3.26 0.00 0.20 8.89 -4.23 -1.26 -5.06 115.64 110.91 3gub s THR 49 Ca -0.01 -1.89 -0.02 0.00 -1.18 0.00 0.00 61.69 58.59 3gub s THR 49 Cb 0.09 -2.45 -0.06 0.00 1.34 0.00 0.00 72.50 71.43 3gub s THR 49 CO 0.80 0.00 1.50 0.07 -0.54 0.00 0.00 174.62 176.45 3gub h LYS 50 N 2.54 0.48 -0.00 3.99 2.10 -2.01 -3.19 116.57 120.48 3gub h LYS 50 Ca -0.34 -0.32 0.00 0.00 -2.00 0.00 0.00 60.65 57.99 3gub h LYS 50 Cb 1.25 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 3gub h LYS 50 CO 0.50 0.93 -0.10 -1.13 -2.00 0.00 0.00 179.45 177.65 3gub n SER 51 N -3.93 0.23 -4.78 7.07 3.41 -1.26 -4.93 113.62 109.43 3gub n SER 51 Ca -0.03 -0.17 -0.35 0.00 -0.26 0.00 0.00 58.87 58.05 3gub n SER 51 Cb 0.62 -0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 64.36 3gub n SER 51 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3gub s SER 52 N -2.68 6.12 0.00 4.04 0.15 -1.21 -4.96 113.70 115.16 3gub s SER 52 Ca 0.23 2.12 0.19 0.00 0.70 0.00 0.00 55.95 59.20 3gub s SER 52 Cb 0.20 -2.58 0.03 0.00 -1.71 0.00 0.00 66.02 61.95 3gub s SER 52 CO 0.51 -0.94 0.99 0.54 1.20 0.00 0.00 173.24 175.53 3gub n ARG 53 N -0.87 1.55 -3.50 5.44 1.74 -1.26 -4.95 116.66 114.80 3gub n ARG 53 Ca 0.09 -1.05 -0.29 0.00 -0.77 0.00 0.00 57.85 55.83 3gub n ARG 53 Cb 0.51 -1.36 -0.04 0.00 -1.02 0.00 0.00 32.46 30.55 3gub n ARG 53 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3gub s ARG 54 N -2.04 3.63 0.09 5.56 0.52 -1.26 -4.97 118.95 120.49 3gub s ARG 54 Ca 0.17 -0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.32 3gub s ARG 54 Cb 0.15 -2.73 0.00 0.00 0.52 0.00 0.00 34.95 32.89 3gub s ARG 54 CO 0.43 0.32 0.00 0.41 0.02 0.00 0.00 175.30 176.48 3gub n GLY 55 N -0.57 -1.79 3.68 -3.53 0.00 -1.26 -4.31 105.19 97.42 3gub n GLY 55 Ca -0.02 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 3gub n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gub s VAL 56 N -1.82 4.89 0.64 1.61 1.01 0.61 -4.67 120.40 122.67 3gub s VAL 56 Ca 0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 3gub s VAL 56 Cb 0.00 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 3gub s VAL 56 CO 0.00 0.50 1.24 -0.94 0.00 0.00 0.00 175.10 175.90 3gub s SER 57 N 0.01 4.76 0.31 3.32 1.04 -1.26 -2.54 113.70 119.34 3gub s SER 57 Ca 0.06 2.47 0.01 0.00 0.48 0.00 0.00 55.95 58.97 3gub s SER 57 Cb -0.12 -2.60 0.53 0.00 0.10 0.00 0.00 66.02 63.93 3gub s SER 57 CO 0.01 -1.89 1.93 -0.09 0.98 0.00 0.00 173.24 174.17 3gub h ARG 58 N 0.51 0.99 -0.27 4.02 2.43 -1.98 -1.25 114.38 118.83 3gub h ARG 58 Ca -0.50 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 58.65 3gub h ARG 58 Cb 1.31 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 3gub h ARG 58 CO 0.53 0.66 0.04 1.49 -1.51 0.00 0.00 179.97 181.18 3gub h GLU 59 N 1.02 0.13 -0.76 0.20 4.81 -1.99 0.89 114.58 118.89 3gub h GLU 59 Ca 0.37 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.54 3gub h GLU 59 Cb 0.14 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3gub h GLU 59 CO -0.13 0.09 0.28 -0.44 -0.73 0.00 0.00 179.01 178.08 3gub h ASP 60 N 0.14 1.07 -0.29 1.04 3.32 -1.80 -1.39 116.42 118.51 3gub h ASP 60 Ca 0.13 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 3gub h ASP 60 Cb 0.14 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3gub h ASP 60 CO -0.18 0.97 0.10 0.40 -1.72 0.00 0.00 179.24 178.81 3gub h ILE 61 N 1.11 1.20 -0.47 0.35 2.04 -0.84 -2.47 117.51 118.42 3gub h ILE 61 Ca 0.25 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.42 3gub h ILE 61 Cb 0.25 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3gub h ILE 61 CO -0.02 0.21 0.01 -0.33 0.00 0.00 0.00 178.15 178.02 3gub h GLU 62 N 0.32 0.78 0.06 2.37 5.08 -0.63 -1.38 114.58 121.17 3gub h GLU 62 Ca 0.10 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3gub h GLU 62 Cb 0.23 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3gub h GLU 62 CO -0.00 0.78 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.65 3gub h ARG 63 N 0.73 -0.11 -0.42 2.33 2.43 -1.21 -0.48 114.38 117.65 3gub h ARG 63 Ca 0.14 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.34 3gub h ARG 63 Cb 0.44 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 3gub h ARG 63 CO 0.02 -0.07 0.23 1.49 -1.51 0.00 0.00 179.97 180.13 3gub h GLU 64 N -0.11 0.46 -0.65 0.20 4.81 -1.11 -1.48 114.58 116.70 3gub h GLU 64 Ca -0.00 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3gub h GLU 64 Cb 0.10 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 3gub h GLU 64 CO -0.00 0.30 0.32 0.28 -0.73 0.00 0.00 179.01 179.18 3gub h VAL 65 N 0.47 1.22 -0.40 0.32 2.07 -1.17 -0.56 116.25 118.20 3gub h VAL 65 Ca 0.17 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3gub h VAL 65 Cb 0.04 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 3gub h VAL 65 CO -0.10 0.25 0.26 -1.28 0.02 0.00 0.00 177.57 176.72 3gub h SER 66 N 0.90 0.47 -0.11 0.57 0.87 -0.72 -0.60 113.55 114.92 3gub h SER 66 Ca 0.22 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3gub h SER 66 Cb 0.10 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 3gub h SER 66 CO -0.03 0.35 0.04 0.40 -0.53 0.00 0.00 176.83 177.06 3gub h ILE 67 N 0.54 1.16 -0.79 2.23 2.04 -1.12 -2.63 117.51 118.94 3gub h ILE 67 Ca 0.15 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.56 3gub h ILE 67 Cb -0.04 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 3gub h ILE 67 CO -0.03 0.15 0.52 -0.07 0.00 0.00 0.00 178.15 178.71 3gub h LEU 68 N 0.01 0.81 -2.48 1.44 3.38 -0.85 -1.53 115.31 116.09 3gub h LEU 68 Ca 0.04 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3gub h LEU 68 Cb 0.19 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3gub h LEU 68 CO -0.00 0.55 -0.02 0.11 0.09 0.00 0.00 178.44 179.17 3gub h LYS 69 N 0.93 0.00 0.00 1.13 1.57 -0.73 -2.61 116.57 116.86 3gub h LYS 69 Ca 0.32 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.05 3gub h LYS 69 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3gub h LYS 69 CO -0.10 0.02 -0.27 0.93 -0.57 0.00 0.00 179.45 179.46 3gub h GLU 70 N 0.00 0.00 -5.67 3.15 5.08 -1.20 -3.48 114.58 112.46 3gub h GLU 70 Ca -0.00 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.69 3gub h GLU 70 Cb 0.15 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.33 3gub h GLU 70 CO 0.00 0.27 -0.49 0.96 -1.00 0.00 0.00 179.01 178.75 3gub s ILE 71 N -3.10 5.44 -0.30 3.13 -4.36 -0.99 -5.05 121.20 115.98 3gub s ILE 71 Ca 0.05 0.15 -0.01 0.00 -0.26 0.00 0.00 60.65 60.58 3gub s ILE 71 Cb 0.07 -3.39 0.19 0.00 1.25 0.00 0.00 42.46 40.58 3gub s ILE 71 CO 0.71 0.59 0.61 -1.58 0.24 0.00 0.00 174.94 175.51 3gub s GLN 72 N -1.13 0.56 -0.14 0.37 0.74 -1.26 -4.74 119.66 114.06 3gub s GLN 72 Ca 0.16 0.93 -0.29 0.00 0.05 0.00 0.00 55.36 56.22 3gub s GLN 72 Cb -0.12 0.51 0.08 0.00 1.10 0.00 0.00 33.01 34.58 3gub s GLN 72 CO 0.06 -0.66 0.75 -1.58 -0.55 0.00 0.00 175.29 173.31 3gub s HIS 73 N 2.86 -0.65 0.58 1.67 2.46 -1.26 -5.05 115.29 115.89 3gub s HIS 73 Ca 0.19 1.30 0.27 0.00 0.47 0.00 0.00 55.06 57.30 3gub s HIS 73 Cb -0.14 0.37 1.61 0.00 -0.13 0.00 0.00 32.58 34.29 3gub s HIS 73 CO -0.21 -0.49 2.11 -1.35 -2.47 0.00 0.00 174.74 172.33 3gub h PRO 74 N 3.59 0.00 -0.65 2.88 0.11 -1.98 -2.16 132.00 133.78 3gub h PRO 74 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3gub h PRO 74 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3gub h PRO 74 CO 0.27 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.15 3gub n ASN 75 N -3.94 5.01 -4.24 -2.05 4.13 -1.26 -4.71 115.26 108.20 3gub n ASN 75 Ca 0.01 -2.53 -0.17 0.00 1.68 0.00 0.00 54.58 53.57 3gub n ASN 75 Cb 0.30 -0.61 -0.11 0.00 -1.54 0.00 0.00 39.78 37.82 3gub n ASN 75 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 3gub s VAL 76 N -2.01 1.27 1.04 2.41 -7.23 -0.82 -0.81 120.40 114.26 3gub s VAL 76 Ca 0.53 -1.80 -0.16 0.00 -1.81 0.00 0.00 61.98 58.74 3gub s VAL 76 Cb 0.35 -1.59 0.22 0.00 0.56 0.00 0.00 36.38 35.91 3gub s VAL 76 CO 0.24 -0.51 1.18 0.27 -0.31 0.00 0.00 175.10 175.97 3gub s ILE 77 N -2.45 1.85 0.13 -0.62 -5.25 -1.01 -4.57 121.20 109.29 3gub s ILE 77 Ca 0.11 0.00 0.10 0.00 -0.99 0.00 0.00 60.65 59.86 3gub s ILE 77 Cb -0.03 -2.72 -0.04 0.00 2.95 0.00 0.00 42.46 42.62 3gub s ILE 77 CO 0.02 0.00 -0.24 0.42 -1.79 0.00 0.00 174.94 173.36 3gub s THR 78 N -3.35 2.04 -0.05 8.37 -4.23 -1.26 -4.73 115.64 112.42 3gub s THR 78 Ca 0.70 -1.75 -0.16 0.00 -1.18 0.00 0.00 61.69 59.30 3gub s THR 78 Cb -0.10 -1.85 -0.05 0.00 1.34 0.00 0.00 72.50 71.84 3gub s THR 78 CO 0.54 -0.04 0.42 -0.22 -0.54 0.00 0.00 174.62 174.79 3gub s LEU 79 N -2.17 4.39 -0.26 4.79 2.96 -1.26 -1.34 118.68 125.79 3gub s LEU 79 Ca 0.13 0.88 -0.15 0.00 -0.22 0.00 0.00 54.13 54.76 3gub s LEU 79 Cb -0.09 -2.61 -0.12 0.00 0.50 0.00 0.00 46.19 43.87 3gub s LEU 79 CO 0.06 0.20 -0.30 1.57 -1.32 0.00 0.00 176.35 176.55 3gub n HIS 80 N 2.60 0.11 -3.60 5.38 -0.00 0.91 -4.96 115.22 115.65 3gub n HIS 80 Ca -0.11 0.05 -0.11 0.00 -0.00 0.00 0.00 57.72 57.55 3gub n HIS 80 Cb 0.52 -0.94 -0.04 0.00 -0.00 0.00 0.00 29.99 29.53 3gub n HIS 80 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3gub s GLU 81 N -2.55 1.13 -0.07 1.57 2.02 -0.56 -5.02 118.70 115.22 3gub s GLU 81 Ca -0.36 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 53.96 3gub s GLU 81 Cb 0.12 0.49 0.02 0.00 0.10 0.00 0.00 34.13 34.87 3gub s GLU 81 CO 0.49 -0.46 -0.09 0.08 0.02 0.00 0.00 175.26 175.30 3gub s VAL 82 N -3.80 0.93 0.33 2.63 1.01 -1.26 -0.89 120.40 119.35 3gub s VAL 82 Ca 0.03 -0.33 0.09 0.00 0.00 0.00 0.00 61.98 61.78 3gub s VAL 82 Cb 0.01 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 3gub s VAL 82 CO -0.11 0.32 0.01 -0.31 0.00 0.00 0.00 175.10 175.00 3gub s TYR 83 N 0.99 2.56 0.06 5.22 1.51 -0.01 -2.32 117.35 125.37 3gub s TYR 83 Ca -0.09 -0.41 -0.17 0.00 -1.01 0.00 0.00 57.07 55.39 3gub s TYR 83 Cb -0.15 -1.44 0.03 0.00 -0.11 0.00 0.00 41.96 40.29 3gub s TYR 83 CO -0.00 0.49 0.40 -1.83 -1.11 0.00 0.00 175.55 173.50 3gub s GLU 84 N -3.71 0.94 0.00 -0.62 -1.05 0.44 -0.39 118.70 114.32 3gub s GLU 84 Ca 0.34 -0.45 0.00 0.00 -0.15 0.00 0.00 54.97 54.71 3gub s GLU 84 Cb -0.01 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 3gub s GLU 84 CO 0.19 -0.33 0.00 0.27 0.95 0.00 0.00 175.26 176.35 3gub n ASN 85 N 0.36 0.00 -0.05 0.83 0.23 -0.24 -4.35 115.26 112.04 3gub n ASN 85 Ca -0.18 -0.78 0.11 0.00 -0.53 0.00 0.00 54.58 53.20 3gub n ASN 85 Cb 0.61 0.00 0.50 0.00 -2.08 0.00 0.00 39.78 38.81 3gub n ASN 85 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3gub h LYS 86 N 0.00 0.38 0.00 -3.83 1.79 -2.02 -3.26 116.57 109.64 3gub h LYS 86 Ca 0.00 -0.02 -0.32 0.00 -2.18 0.00 0.00 60.65 58.13 3gub h LYS 86 Cb 0.00 -0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 30.50 3gub h LYS 86 CO 0.00 0.25 -2.20 0.25 -1.08 0.00 0.00 179.45 176.67 3gub n THR 87 N -4.47 1.20 -4.22 -0.16 -2.24 -1.26 -4.85 114.28 98.28 3gub n THR 87 Ca 0.08 -0.72 -0.19 0.00 -2.27 0.00 0.00 64.05 60.95 3gub n THR 87 Cb 0.32 -0.60 -0.12 0.00 -2.10 0.00 0.00 70.33 67.83 3gub n THR 87 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3gub s ASP 88 N -5.22 1.95 -0.10 3.42 1.01 -1.23 -0.82 116.67 115.67 3gub s ASP 88 Ca -0.10 -0.72 -0.03 0.00 0.71 0.00 0.00 52.55 52.41 3gub s ASP 88 Cb 0.05 -0.07 -0.03 0.00 1.01 0.00 0.00 42.92 43.88 3gub s ASP 88 CO 0.70 -0.09 0.03 -0.69 0.21 0.00 0.00 175.17 175.33 3gub s VAL 89 N -1.66 4.59 -0.26 -1.27 1.01 -0.39 -1.08 120.40 121.35 3gub s VAL 89 Ca 0.04 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.92 3gub s VAL 89 Cb -0.08 -2.96 0.06 0.00 0.00 0.00 0.00 36.38 33.41 3gub s VAL 89 CO 0.03 0.60 -0.10 -0.63 0.00 0.00 0.00 175.10 174.99 3gub s ILE 90 N -0.82 2.16 -0.34 2.22 1.09 0.48 -0.52 121.20 125.47 3gub s ILE 90 Ca 0.13 -1.65 -0.14 0.00 -1.10 0.00 0.00 60.65 57.89 3gub s ILE 90 Cb -0.12 -2.28 -0.01 0.00 -1.06 0.00 0.00 42.46 38.99 3gub s ILE 90 CO 0.03 -0.05 0.29 -0.76 -0.10 0.00 0.00 174.94 174.35 3gub s LEU 91 N 1.10 4.51 -0.26 2.97 1.43 -0.20 -0.83 118.68 127.40 3gub s LEU 91 Ca -0.08 -0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 52.57 3gub s LEU 91 Cb -0.20 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 3gub s LEU 91 CO -0.05 -0.28 0.12 -0.63 0.23 0.00 0.00 176.35 175.73 3gub s ILE 92 N 1.84 4.72 0.02 -0.59 1.01 -0.07 -0.02 121.20 128.11 3gub s ILE 92 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.70 3gub s ILE 92 Cb -0.17 -3.23 -0.00 0.00 0.01 0.00 0.00 42.46 39.07 3gub s ILE 92 CO 0.11 0.30 0.02 0.61 0.00 0.00 0.00 174.94 175.98 3gub n GLY 93 N 4.97 3.69 3.69 6.18 0.00 -0.05 -0.06 105.19 123.60 3gub n GLY 93 Ca -0.15 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 3gub n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gub s GLU 94 N -2.05 4.23 0.15 1.61 2.12 -0.45 -0.57 118.70 123.74 3gub s GLU 94 Ca 0.02 2.18 -0.30 0.00 0.36 0.00 0.00 54.97 57.22 3gub s GLU 94 Cb 0.00 -3.63 -0.08 0.00 0.26 0.00 0.00 34.13 30.69 3gub s GLU 94 CO 0.01 -0.69 1.23 -1.17 -0.54 0.00 0.00 175.26 174.10 3gub s LEU 95 N 2.69 4.42 -0.22 2.70 2.96 -1.26 -4.52 118.68 125.44 3gub s LEU 95 Ca 0.70 2.21 0.02 0.00 -0.22 0.00 0.00 54.13 56.83 3gub s LEU 95 Cb -0.36 -3.60 0.05 0.00 0.50 0.00 0.00 46.19 42.78 3gub s LEU 95 CO 0.30 -0.44 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.07 3gub s VAL 96 N 0.33 1.99 -1.50 1.68 1.01 -1.26 -4.96 120.40 117.69 3gub s VAL 96 Ca 0.56 -1.30 0.25 0.00 0.00 0.00 0.00 61.98 61.49 3gub s VAL 96 Cb -0.33 -2.02 0.13 0.00 0.00 0.00 0.00 36.38 34.16 3gub s VAL 96 CO 0.34 0.15 1.43 0.00 0.00 0.00 0.00 175.10 177.03 3gub n ALA 97 N 4.55 3.38 -0.37 5.51 0.00 -1.25 -4.28 120.51 128.05 3gub n ALA 97 Ca -0.16 -0.42 0.11 0.00 0.00 0.00 0.00 53.44 52.97 3gub n ALA 97 Cb 0.45 -1.07 0.31 0.00 0.00 0.00 0.00 19.45 19.13 3gub n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gub n GLY 98 N 1.41 2.56 0.00 0.00 0.00 0.66 -4.92 105.19 104.89 3gub n GLY 98 Ca 0.09 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3gub n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gub n GLY 99 N 1.48 -1.16 3.78 -0.02 0.00 -1.24 -4.28 105.19 103.75 3gub n GLY 99 Ca 0.23 -1.61 -0.37 0.00 0.00 0.00 0.00 46.02 44.27 3gub n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gub s GLU 100 N -1.31 4.10 0.39 1.61 2.02 -1.26 -0.57 118.70 123.68 3gub s GLU 100 Ca 0.00 1.64 0.11 0.00 0.02 0.00 0.00 54.97 56.74 3gub s GLU 100 Cb 0.00 -2.58 0.90 0.00 0.10 0.00 0.00 34.13 32.55 3gub s GLU 100 CO 0.00 -0.23 1.93 1.25 0.02 0.00 0.00 175.26 178.23 3gub h LEU 101 N 2.52 0.53 -0.80 1.80 5.85 -0.63 -1.97 115.31 122.61 3gub h LEU 101 Ca -0.48 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.38 3gub h LEU 101 Cb 1.22 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 42.08 3gub h LEU 101 CO 0.62 0.30 0.41 0.15 -0.34 0.00 0.00 178.44 179.58 3gub h PHE 102 N 0.58 0.72 0.08 1.25 3.57 -1.74 -0.18 116.94 121.22 3gub h PHE 102 Ca 0.36 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.73 3gub h PHE 102 Cb 0.60 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 39.15 3gub h PHE 102 CO -0.00 0.20 -0.76 -0.44 -2.23 0.00 0.00 178.31 175.08 3gub h ASP 103 N 0.62 0.28 0.00 0.41 3.32 -1.69 -2.34 116.42 117.02 3gub h ASP 103 Ca 0.42 -0.90 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3gub h ASP 103 Cb 0.54 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3gub h ASP 103 CO -0.33 1.34 0.00 0.33 -1.72 0.00 0.00 179.24 178.86 3gub n PHE 104 N -4.24 0.00 -0.06 4.55 7.35 -1.13 -1.21 117.46 122.71 3gub n PHE 104 Ca -0.17 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.47 3gub n PHE 104 Cb 0.73 0.00 0.14 0.00 0.35 0.00 0.00 39.48 40.70 3gub n PHE 104 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3gub h LEU 105 N 0.00 0.69 -1.25 -2.13 3.38 -0.91 -2.45 115.31 112.64 3gub h LEU 105 Ca 0.00 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 3gub h LEU 105 Cb 0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3gub h LEU 105 CO 0.00 0.86 -0.22 0.00 0.09 0.00 0.00 178.44 179.17 3gub h ALA 106 N 1.20 1.38 -2.54 1.53 0.00 -0.96 -2.92 119.26 116.94 3gub h ALA 106 Ca 0.10 -0.27 -0.55 0.00 0.00 0.00 0.00 54.91 54.18 3gub h ALA 106 Cb 0.64 -0.09 -0.38 0.00 0.00 0.00 0.00 17.79 17.95 3gub h ALA 106 CO 0.04 0.43 -0.82 -1.21 0.00 0.00 0.00 179.25 177.69 3gub s GLU 107 N -4.53 0.50 0.73 0.00 0.41 -0.35 -3.85 118.70 111.62 3gub s GLU 107 Ca -0.05 -1.17 -0.05 0.00 -0.41 0.00 0.00 54.97 53.29 3gub s GLU 107 Cb 0.15 -1.21 0.10 0.00 -1.78 0.00 0.00 34.13 31.38 3gub s GLU 107 CO 0.74 -1.18 1.03 -1.59 -0.49 0.00 0.00 175.26 173.77 3gub s LYS 108 N 1.25 1.82 -0.60 1.61 0.00 -1.10 -4.28 119.74 118.45 3gub s LYS 108 Ca 0.17 -0.61 0.06 0.00 0.00 0.00 0.00 55.97 55.59 3gub s LYS 108 Cb -0.21 -2.20 0.22 0.00 0.00 0.00 0.00 37.83 35.63 3gub s LYS 108 CO -0.04 -1.43 0.61 -1.91 0.00 0.00 0.00 175.35 172.57 3gub n GLU 109 N -2.96 1.84 -3.15 1.78 2.13 -1.10 -4.16 120.64 115.02 3gub n GLU 109 Ca 0.11 -4.26 0.04 0.00 0.66 0.00 0.00 57.16 53.72 3gub n GLU 109 Cb 0.60 -2.05 -0.00 0.00 0.27 0.00 0.00 31.44 30.27 3gub n GLU 109 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3gub s SER 110 N -1.77 -1.41 -0.08 4.31 1.04 -1.26 -5.01 113.70 109.52 3gub s SER 110 Ca 0.34 0.18 -0.13 0.00 0.48 0.00 0.00 55.95 56.82 3gub s SER 110 Cb 0.09 1.90 -0.05 0.00 0.10 0.00 0.00 66.02 68.06 3gub s SER 110 CO -0.09 -0.26 0.33 -0.76 0.98 0.00 0.00 173.24 173.45 3gub s LEU 111 N 2.85 4.38 0.90 2.42 1.43 -1.26 -5.11 118.68 124.29 3gub s LEU 111 Ca 0.13 0.73 -0.11 0.00 -1.03 0.00 0.00 54.13 53.86 3gub s LEU 111 Cb -0.09 -2.44 0.13 0.00 0.03 0.00 0.00 46.19 43.82 3gub s LEU 111 CO -0.25 0.25 1.10 0.42 0.23 0.00 0.00 176.35 178.09 3gub s THR 112 N -0.48 2.62 0.33 5.49 -4.23 -1.26 -4.83 115.64 113.28 3gub s THR 112 Ca 0.20 0.20 0.01 0.00 -1.18 0.00 0.00 61.69 60.93 3gub s THR 112 Cb -0.15 -2.53 0.23 0.00 1.34 0.00 0.00 72.50 71.39 3gub s THR 112 CO 0.09 -0.26 1.95 -0.33 -0.54 0.00 0.00 174.62 175.52 3gub h GLU 113 N -1.65 0.83 -0.57 3.99 5.08 -1.96 -1.26 114.58 119.04 3gub h GLU 113 Ca -0.48 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 57.69 3gub h GLU 113 Cb 1.27 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 3gub h GLU 113 CO 0.50 0.61 -0.05 1.49 -1.00 0.00 0.00 179.01 180.56 3gub h GLU 114 N 0.83 1.04 -0.72 2.33 4.57 -1.99 0.18 114.58 120.83 3gub h GLU 114 Ca 0.21 -0.36 -0.06 0.00 -1.18 0.00 0.00 59.36 57.98 3gub h GLU 114 Cb 0.03 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 3gub h GLU 114 CO -0.03 1.05 0.23 0.93 -1.18 0.00 0.00 179.01 180.01 3gub h GLU 115 N 0.92 1.11 -0.17 1.92 5.08 -1.89 -0.43 114.58 121.12 3gub h GLU 115 Ca 0.15 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3gub h GLU 115 Cb 0.62 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3gub h GLU 115 CO 0.04 0.95 0.04 0.00 -1.00 0.00 0.00 179.01 179.04 3gub h ALA 116 N 1.11 0.23 -0.10 3.43 0.00 -0.92 -2.66 119.26 120.34 3gub h ALA 116 Ca 0.23 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3gub h ALA 116 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3gub h ALA 116 CO -0.01 -0.13 -0.27 1.79 0.00 0.00 0.00 179.25 180.63 3gub h THR 117 N 0.09 1.24 -0.82 0.00 1.35 -0.53 0.58 112.91 114.81 3gub h THR 117 Ca 0.05 -1.12 -0.04 0.00 -0.55 0.00 0.00 66.41 64.76 3gub h THR 117 Cb 0.26 1.47 -0.04 0.00 -1.73 0.00 0.00 68.15 68.11 3gub h THR 117 CO 0.00 0.33 0.37 -0.33 -0.25 0.00 0.00 175.52 175.64 3gub h GLU 118 N 0.16 1.20 -0.02 4.72 4.39 -0.98 0.21 114.58 124.26 3gub h GLU 118 Ca 0.03 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 3gub h GLU 118 Cb 0.57 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 3gub h GLU 118 CO 0.04 0.94 -0.01 0.74 -1.16 0.00 0.00 179.01 179.56 3gub h PHE 119 N 1.18 0.06 -0.56 4.33 0.05 -1.14 -3.28 116.94 117.57 3gub h PHE 119 Ca 0.28 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 62.06 3gub h PHE 119 Cb 0.16 -0.01 -0.03 0.00 2.00 0.00 0.00 35.95 38.07 3gub h PHE 119 CO 0.02 0.43 0.36 1.25 -0.18 0.00 0.00 178.31 180.19 3gub h LEU 120 N -0.34 0.65 -1.10 1.54 7.12 -0.52 -1.78 115.31 120.88 3gub h LEU 120 Ca 0.01 -0.03 0.13 0.00 0.13 0.00 0.00 57.88 58.12 3gub h LEU 120 Cb 0.42 -0.16 -0.08 0.00 -0.53 0.00 0.00 40.66 40.30 3gub h LEU 120 CO 0.00 0.49 0.61 0.11 -0.13 0.00 0.00 178.44 179.52 3gub h LYS 121 N 0.76 0.87 -0.31 1.25 1.57 -0.70 0.15 116.57 120.15 3gub h LYS 121 Ca 0.21 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.79 3gub h LYS 121 Cb -0.07 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.04 3gub h LYS 121 CO -0.04 0.57 -0.38 1.96 -0.57 0.00 0.00 179.45 180.99 3gub h GLN 122 N 0.89 0.81 -0.34 3.15 4.20 -1.47 -0.53 115.11 121.83 3gub h GLN 122 Ca 0.48 -0.45 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3gub h GLN 122 Cb 0.56 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 3gub h GLN 122 CO -0.25 1.09 0.18 0.82 -0.67 0.00 0.00 178.83 180.00 3gub h ILE 123 N 0.58 1.15 -0.85 2.54 2.04 -0.50 -1.43 117.51 121.04 3gub h ILE 123 Ca 0.04 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 3gub h ILE 123 Cb 0.97 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 3gub h ILE 123 CO 0.09 0.15 0.46 -0.07 0.00 0.00 0.00 178.15 178.78 3gub h LEU 124 N 0.42 1.06 -0.70 1.44 3.38 -0.66 -0.27 115.31 119.98 3gub h LEU 124 Ca 0.12 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3gub h LEU 124 Cb 0.08 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3gub h LEU 124 CO -0.02 0.86 0.20 0.78 0.09 0.00 0.00 178.44 180.35 3gub h ASN 125 N 1.19 1.04 -0.42 -0.43 2.35 -0.76 0.19 115.58 118.73 3gub h ASN 125 Ca 0.30 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 3gub h ASN 125 Cb 0.04 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3gub h ASN 125 CO -0.05 0.99 0.02 1.23 -1.65 0.00 0.00 177.43 177.97 3gub h GLY 126 N 1.04 0.80 1.87 2.83 0.00 -0.85 -1.95 103.07 106.80 3gub h GLY 126 Ca 0.22 -0.57 -0.13 0.00 0.00 0.00 0.00 47.33 46.85 3gub h GLY 126 CO -0.00 0.53 -0.55 -2.08 0.00 0.00 0.00 176.54 174.44 3gub h VAL 127 N 0.58 1.38 -0.46 4.60 2.07 -0.87 -1.52 116.25 122.02 3gub h VAL 127 Ca 0.12 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.79 3gub h VAL 127 Cb 0.46 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 3gub h VAL 127 CO 0.02 0.54 0.29 0.22 0.02 0.00 0.00 177.57 178.66 3gub h TYR 128 N 0.11 0.59 0.26 1.57 3.20 -0.41 0.17 116.97 122.47 3gub h TYR 128 Ca -0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3gub h TYR 128 Cb 1.00 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 3gub h TYR 128 CO 0.01 0.39 -0.17 -0.92 -1.64 0.00 0.00 178.16 175.83 3gub h TYR 129 N 0.62 -0.45 -0.29 -3.82 3.20 -1.04 -0.32 116.97 114.87 3gub h TYR 129 Ca 0.17 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3gub h TYR 129 Cb -0.04 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3gub h TYR 129 CO -0.04 -0.27 0.15 -0.07 -1.64 0.00 0.00 178.16 176.30 3gub h LEU 130 N -0.42 0.37 -1.25 2.82 3.38 -1.06 -2.36 115.31 116.78 3gub h LEU 130 Ca -0.02 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 3gub h LEU 130 Cb 0.36 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3gub h LEU 130 CO 0.01 0.36 -0.28 0.45 0.09 0.00 0.00 178.44 179.07 3gub h HIS 131 N 0.35 0.16 -0.34 1.13 3.86 -0.58 0.93 115.15 120.66 3gub h HIS 131 Ca 0.10 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.25 3gub h HIS 131 Cb 0.08 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 3gub h HIS 131 CO -0.03 0.42 0.09 0.77 0.86 0.00 0.00 177.93 180.05 3gub h SER 132 N 0.14 0.45 -0.23 2.45 0.02 -0.62 0.22 113.55 115.96 3gub h SER 132 Ca 0.02 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3gub h SER 132 Cb 0.58 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3gub h SER 132 CO 0.04 0.45 0.00 0.18 -1.14 0.00 0.00 176.83 176.36 3gub n LEU 133 N -4.36 1.34 -2.18 5.07 4.77 -0.56 -4.91 117.00 116.18 3gub n LEU 133 Ca 0.02 -0.67 -0.19 0.00 -0.03 0.00 0.00 56.01 55.13 3gub n LEU 133 Cb 0.17 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 3gub n LEU 133 CO 0.37 0.32 -0.25 0.00 -1.33 0.00 0.00 177.39 176.51 3gub n GLN 134 N 0.19 -1.53 -3.62 3.23 3.00 0.07 -4.90 117.38 113.82 3gub n GLN 134 Ca 0.08 0.94 -0.38 0.00 -0.01 0.00 0.00 57.00 57.63 3gub n GLN 134 Cb 0.22 -5.50 -0.11 0.00 0.00 0.00 0.00 30.24 24.84 3gub n GLN 134 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 3gub s ILE 135 N -2.95 5.02 -0.12 5.09 1.01 0.21 -0.33 121.20 129.13 3gub s ILE 135 Ca 0.00 -0.02 -0.21 0.00 0.00 0.00 0.00 60.65 60.42 3gub s ILE 135 Cb 0.00 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 3gub s ILE 135 CO 0.00 0.21 0.60 0.00 0.00 0.00 0.00 174.94 175.75 3gub s ALA 136 N 1.71 3.44 -0.03 9.38 0.00 -0.20 -3.59 121.76 132.46 3gub s ALA 136 Ca 0.06 -0.08 -0.21 0.00 0.00 0.00 0.00 51.96 51.73 3gub s ALA 136 Cb -0.16 -2.84 -0.29 0.00 0.00 0.00 0.00 23.12 19.82 3gub s ALA 136 CO 0.09 -0.17 0.96 1.25 0.00 0.00 0.00 175.76 177.89 3gub h HIS 137 N 6.91 0.58 -0.00 0.00 2.76 -1.91 -0.76 115.15 122.74 3gub h HIS 137 Ca -0.39 -0.39 -0.00 0.00 -2.20 0.00 0.00 60.37 57.39 3gub h HIS 137 Cb 1.18 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 30.10 3gub h HIS 137 CO 0.65 1.27 -0.00 1.19 -1.30 0.00 0.00 177.93 179.74 3gub n PHE 138 N -4.14 0.00 -2.71 5.26 3.72 -1.26 -2.73 117.46 115.60 3gub n PHE 138 Ca -0.13 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3gub n PHE 138 Cb 0.79 -1.47 0.06 0.00 -0.94 0.00 0.00 39.48 37.91 3gub n PHE 138 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3gub n ASP 139 N -0.73 0.69 -4.68 4.37 2.03 -1.26 -4.49 116.55 112.47 3gub n ASP 139 Ca -0.00 -2.06 -0.42 0.00 0.52 0.00 0.00 54.79 52.83 3gub n ASP 139 Cb 0.37 -0.16 -0.03 0.00 -0.72 0.00 0.00 41.12 40.58 3gub n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3gub s LEU 140 N -3.13 4.31 0.03 -2.67 1.43 -1.26 -4.81 118.68 112.59 3gub s LEU 140 Ca 0.23 2.10 -0.28 0.00 -1.03 0.00 0.00 54.13 55.14 3gub s LEU 140 Cb 0.34 -3.56 0.09 0.00 0.03 0.00 0.00 46.19 43.10 3gub s LEU 140 CO -0.08 -0.74 0.90 -1.59 0.23 0.00 0.00 176.35 175.07 3gub s LYS 141 N 2.59 0.91 0.53 1.70 -2.85 -1.26 -4.87 119.74 116.49 3gub s LYS 141 Ca 0.64 -0.38 0.22 0.00 -1.00 0.00 0.00 55.97 55.45 3gub s LYS 141 Cb -0.31 0.39 1.35 0.00 -2.06 0.00 0.00 37.83 37.20 3gub s LYS 141 CO 0.26 -0.40 2.04 -1.35 0.10 0.00 0.00 175.35 176.00 3gub h PRO 142 N 2.00 0.00 0.00 1.78 0.11 -1.94 -0.30 132.00 133.66 3gub h PRO 142 Ca -0.23 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 3gub h PRO 142 Cb 1.24 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3gub h PRO 142 CO 0.30 0.00 -0.04 0.93 -0.21 0.00 0.00 178.00 178.98 3gub h GLU 143 N 0.00 0.00 -0.49 1.05 3.07 -1.96 -2.74 114.58 113.52 3gub h GLU 143 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 3gub h GLU 143 Cb 0.69 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 3gub h GLU 143 CO -0.00 0.04 0.00 0.09 -1.40 0.00 0.00 179.01 177.74 3gub n ASN 144 N -3.48 4.45 -4.07 1.42 3.02 -0.13 -4.84 115.26 111.62 3gub n ASN 144 Ca -0.02 -2.63 -0.32 0.00 -0.03 0.00 0.00 54.58 51.58 3gub n ASN 144 Cb 0.15 -0.54 -0.16 0.00 -0.61 0.00 0.00 39.78 38.62 3gub n ASN 144 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gub s ILE 145 N -2.17 1.90 -0.06 2.41 -1.09 -1.07 -1.18 121.20 119.94 3gub s ILE 145 Ca 0.45 -0.97 0.02 0.00 -2.23 0.00 0.00 60.65 57.93 3gub s ILE 145 Cb 0.32 -1.80 -0.03 0.00 -1.58 0.00 0.00 42.46 39.37 3gub s ILE 145 CO 0.17 0.40 -0.10 -0.04 -1.23 0.00 0.00 174.94 174.14 3gub s MET 146 N 1.33 2.68 0.02 2.79 -1.94 -0.23 -0.31 119.30 123.64 3gub s MET 146 Ca 0.02 -0.60 -0.17 0.00 -1.71 0.00 0.00 55.69 53.23 3gub s MET 146 Cb -0.14 -2.52 -0.06 0.00 2.01 0.00 0.00 34.83 34.12 3gub s MET 146 CO -0.11 0.64 0.50 -0.51 -0.01 0.00 0.00 175.02 175.53 3gub s LEU 147 N -0.75 4.48 0.11 -0.03 1.02 0.26 -0.75 118.68 123.02 3gub s LEU 147 Ca 0.12 1.10 -0.15 0.00 0.02 0.00 0.00 54.13 55.22 3gub s LEU 147 Cb -0.11 -2.76 -0.06 0.00 0.02 0.00 0.00 46.19 43.29 3gub s LEU 147 CO 0.01 0.26 1.49 -0.07 0.02 0.00 0.00 176.35 178.06 3gub h LEU 148 N 4.84 0.71 -6.95 1.79 4.07 -1.25 0.19 115.31 118.70 3gub h LEU 148 Ca -0.49 -0.40 -0.16 0.00 0.08 0.00 0.00 57.88 56.91 3gub h LEU 148 Cb 1.21 -0.19 -0.30 0.00 1.08 0.00 0.00 40.66 42.46 3gub h LEU 148 CO 0.64 0.95 -0.46 -0.62 -1.08 0.00 0.00 178.44 177.87 3gub s ASP 149 N -6.37 0.15 0.03 -0.43 -1.08 -1.26 -2.99 116.67 104.72 3gub s ASP 149 Ca -0.13 0.61 0.28 0.00 -0.52 0.00 0.00 52.55 52.79 3gub s ASP 149 Cb 0.09 1.05 1.09 0.00 -1.46 0.00 0.00 42.92 43.69 3gub s ASP 149 CO 0.81 -0.26 1.84 -2.11 0.52 0.00 0.00 175.17 175.97 3gub n ARG 150 N 5.37 0.04 -0.57 4.34 0.00 -1.26 -3.91 116.66 120.67 3gub n ARG 150 Ca -0.06 0.03 0.06 0.00 -0.00 0.00 0.00 57.85 57.88 3gub n ARG 150 Cb 0.50 -1.54 0.29 0.00 -0.00 0.00 0.00 32.46 31.71 3gub n ARG 150 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3gub n ASN 151 N -1.60 4.15 -4.67 2.89 3.02 -1.26 -4.88 115.26 112.91 3gub n ASN 151 Ca 0.07 -2.50 -0.29 0.00 -0.03 0.00 0.00 54.58 51.83 3gub n ASN 151 Cb 0.35 -0.56 -0.08 0.00 -0.61 0.00 0.00 39.78 38.88 3gub n ASN 151 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gub s VAL 152 N -2.01 3.83 0.42 2.41 1.01 -1.25 -5.04 120.40 119.76 3gub s VAL 152 Ca 0.41 -1.19 0.18 0.00 0.00 0.00 0.00 61.98 61.38 3gub s VAL 152 Cb 0.28 -2.86 0.20 0.00 0.00 0.00 0.00 36.38 34.00 3gub s VAL 152 CO 0.16 0.03 1.97 -0.65 0.00 0.00 0.00 175.10 176.62 3gub h PRO 153 N 3.17 0.00 -2.50 2.72 0.11 -1.94 -3.34 132.00 130.22 3gub h PRO 153 Ca -0.48 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.03 3gub h PRO 153 Cb 1.18 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.88 3gub h PRO 153 CO 0.58 0.21 -0.67 1.63 -0.21 0.00 0.00 178.00 179.54 3gub n LYS 154 N -4.05 1.89 -1.73 1.05 5.02 -1.26 -5.06 118.16 114.02 3gub n LYS 154 Ca -0.02 -4.33 -0.42 0.00 -2.02 0.00 0.00 58.31 51.52 3gub n LYS 154 Cb 0.28 -2.11 -0.01 0.00 -0.02 0.00 0.00 35.03 33.17 3gub n LYS 154 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3gub n PRO 155 N 1.47 2.46 -2.97 1.97 -0.02 -1.26 -4.98 135.00 131.67 3gub n PRO 155 Ca 0.25 0.87 -0.37 0.00 -2.02 0.00 0.00 63.50 62.24 3gub n PRO 155 Cb 0.41 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.25 3gub n PRO 155 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3gub s ARG 156 N -1.29 4.41 0.23 -0.52 1.81 -1.26 -4.83 118.95 117.49 3gub s ARG 156 Ca 0.59 1.06 0.08 0.00 -1.72 0.00 0.00 55.73 55.74 3gub s ARG 156 Cb -0.53 -2.89 -0.05 0.00 -0.45 0.00 0.00 34.95 31.03 3gub s ARG 156 CO 0.56 0.37 -0.13 0.96 -0.68 0.00 0.00 175.30 176.39 3gub s ILE 157 N -1.52 1.75 -0.02 1.52 -5.25 -1.26 -0.73 121.20 115.70 3gub s ILE 157 Ca 0.45 -2.20 0.01 0.00 -0.99 0.00 0.00 60.65 57.92 3gub s ILE 157 Cb -0.18 -2.16 0.01 0.00 2.95 0.00 0.00 42.46 43.07 3gub s ILE 157 CO 0.23 -0.51 -0.04 -0.54 -1.79 0.00 0.00 174.94 172.28 3gub s LYS 158 N -3.66 0.52 0.09 0.37 1.02 0.07 -4.44 119.74 113.70 3gub s LYS 158 Ca 0.25 -0.14 -0.30 0.00 0.02 0.00 0.00 55.97 55.80 3gub s LYS 158 Cb 0.00 -0.54 -0.06 0.00 -0.52 0.00 0.00 37.83 36.72 3gub s LYS 158 CO 0.09 0.04 1.08 0.42 -0.92 0.00 0.00 175.35 176.05 3gub s ILE 159 N 0.28 4.28 0.47 2.17 1.01 0.01 -1.07 121.20 128.36 3gub s ILE 159 Ca -0.03 1.75 0.02 0.00 0.00 0.00 0.00 60.65 62.40 3gub s ILE 159 Cb -0.07 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 3gub s ILE 159 CO -0.00 0.20 0.04 0.27 0.00 0.00 0.00 174.94 175.45 3gub s ILE 160 N 0.52 1.03 -0.30 2.92 -4.36 -0.33 -2.40 121.20 118.29 3gub s ILE 160 Ca 0.53 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.88 3gub s ILE 160 Cb -0.26 -2.28 0.00 0.00 1.25 0.00 0.00 42.46 41.17 3gub s ILE 160 CO 0.31 0.00 0.12 -0.67 0.24 0.00 0.00 174.94 174.93 3gub n ASP 161 N -1.25 -7.31 -1.91 4.36 -0.08 -1.26 -4.87 116.55 104.23 3gub n ASP 161 Ca -0.14 1.09 -0.11 0.00 -1.51 0.00 0.00 54.79 54.13 3gub n ASP 161 Cb 0.66 -4.85 0.22 0.00 2.34 0.00 0.00 41.12 39.50 3gub n ASP 161 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3gub n PHE 162 N 0.41 2.30 0.26 -0.67 3.01 -1.26 -4.55 117.46 116.95 3gub n PHE 162 Ca 0.02 -1.27 0.09 0.00 1.01 0.00 0.00 57.45 57.31 3gub n PHE 162 Cb 0.09 -0.70 0.67 0.00 -0.01 0.00 0.00 39.48 39.53 3gub n PHE 162 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3gub h GLY 163 N 2.46 0.00 -1.14 1.37 0.00 -1.92 -2.29 103.07 101.55 3gub h GLY 163 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3gub h GLY 163 CO 0.75 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.33 3gub n LEU 164 N -4.14 2.33 -4.77 3.11 4.77 -1.26 -4.92 117.00 112.12 3gub n LEU 164 Ca -0.03 -1.28 -0.41 0.00 -0.03 0.00 0.00 56.01 54.27 3gub n LEU 164 Cb 0.17 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 3gub n LEU 164 CO 0.33 0.49 1.00 0.00 -1.33 0.00 0.00 177.39 177.87 3gub s ALA 165 N -1.04 3.51 0.04 -1.18 0.00 -0.86 -4.67 121.76 117.55 3gub s ALA 165 Ca 0.18 1.30 0.03 0.00 0.00 0.00 0.00 51.96 53.47 3gub s ALA 165 Cb 0.11 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 3gub s ALA 165 CO 0.16 -0.70 -0.09 -1.01 0.00 0.00 0.00 175.76 174.12 3gub s HIS 166 N -1.10 0.80 -0.17 0.00 3.76 -0.29 -4.80 115.29 113.50 3gub s HIS 166 Ca 0.50 -0.41 -0.26 0.00 -0.15 0.00 0.00 55.06 54.74 3gub s HIS 166 Cb -0.41 -0.48 -0.01 0.00 1.11 0.00 0.00 32.58 32.80 3gub s HIS 166 CO 0.54 -0.03 0.89 0.15 -0.85 0.00 0.00 174.74 175.44 3gub s LYS 167 N -1.31 4.30 -0.87 1.40 -0.14 -1.26 -1.04 119.74 120.83 3gub s LYS 167 Ca -0.05 1.12 -0.13 0.00 -1.36 0.00 0.00 55.97 55.55 3gub s LYS 167 Cb -0.08 -3.58 0.23 0.00 -1.68 0.00 0.00 37.83 32.71 3gub s LYS 167 CO 0.01 -0.38 0.81 0.42 -0.76 0.00 0.00 175.35 175.44 3gub s ILE 168 N 2.33 5.58 -0.72 2.17 -1.09 0.55 -4.85 121.20 125.17 3gub s ILE 168 Ca 0.40 -2.66 0.23 0.00 -2.23 0.00 0.00 60.65 56.39 3gub s ILE 168 Cb -0.16 -4.44 -0.14 0.00 -1.58 0.00 0.00 42.46 36.14 3gub s ILE 168 CO 0.12 -1.05 1.02 0.47 -1.23 0.00 0.00 174.94 174.27 3gub n ASP 169 N 3.73 0.65 -1.29 3.58 8.00 -1.26 -4.29 116.55 125.66 3gub n ASP 169 Ca 0.15 -0.38 -0.05 0.00 0.71 0.00 0.00 54.79 55.23 3gub n ASP 169 Cb 0.45 0.84 0.12 0.00 -0.02 0.00 0.00 41.12 42.51 3gub n ASP 169 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3gub n PHE 170 N -1.81 1.00 0.00 1.24 3.01 -1.26 -4.98 117.46 114.65 3gub n PHE 170 Ca 0.03 -1.69 0.00 0.00 1.01 0.00 0.00 57.45 56.80 3gub n PHE 170 Cb 0.41 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 3gub n PHE 170 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gub n GLY 171 N -0.81 1.46 3.32 1.37 0.00 -1.26 -4.83 105.19 104.44 3gub n GLY 171 Ca 0.26 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 3gub n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gub s ASN 172 N 0.00 -0.04 0.09 1.61 2.20 -1.26 -4.51 114.94 113.04 3gub s ASN 172 Ca 0.00 -0.64 0.08 0.00 -0.94 0.00 0.00 52.86 51.36 3gub s ASN 172 Cb 0.00 0.44 -0.03 0.00 -2.00 0.00 0.00 41.25 39.65 3gub s ASN 172 CO 0.00 -0.86 -0.20 -1.83 -2.94 0.00 0.00 177.10 171.27 3gub s GLU 173 N -3.89 1.12 -0.41 3.55 4.04 0.15 -4.82 118.70 118.43 3gub s GLU 173 Ca 0.10 -1.12 0.02 0.00 0.04 0.00 0.00 54.97 54.00 3gub s GLU 173 Cb 0.03 -1.35 0.12 0.00 0.02 0.00 0.00 34.13 32.96 3gub s GLU 173 CO -0.06 0.32 0.20 0.12 -1.84 0.00 0.00 175.26 173.99 3gub s PHE 174 N -1.14 2.15 -0.10 4.83 5.36 -1.26 -0.64 117.98 127.17 3gub s PHE 174 Ca 0.06 -2.38 0.07 0.00 -0.96 0.00 0.00 56.93 53.71 3gub s PHE 174 Cb -0.10 -2.00 0.17 0.00 -0.34 0.00 0.00 43.02 40.75 3gub s PHE 174 CO 0.04 -0.81 1.17 0.36 -1.46 0.00 0.00 175.22 174.51 3gub n LYS 175 N 3.84 0.44 -1.97 10.12 2.85 -1.26 -5.05 118.16 127.13 3gub n LYS 175 Ca 0.06 -1.24 -0.21 0.00 -1.05 0.00 0.00 58.31 55.87 3gub n LYS 175 Cb 0.36 0.35 -0.05 0.00 -0.65 0.00 0.00 35.03 35.04 3gub n LYS 175 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3gub n ASN 176 N -0.40 -5.67 -4.50 -5.58 4.13 -1.26 -4.96 115.26 97.02 3gub n ASN 176 Ca -0.21 0.27 -0.49 0.00 1.68 0.00 0.00 54.58 55.83 3gub n ASN 176 Cb 0.79 -4.87 -0.04 0.00 -1.54 0.00 0.00 39.78 34.12 3gub n ASN 176 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3gub n ILE 177 N -3.12 1.37 -3.42 2.41 5.41 -1.26 -5.00 119.36 115.74 3gub n ILE 177 Ca -0.23 -0.34 -0.00 0.00 1.00 0.00 0.00 62.75 63.18 3gub n ILE 177 Cb 0.69 -0.41 -0.04 0.00 -0.71 0.00 0.00 39.64 39.17 3gub n ILE 177 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 3gub s PHE 178 N -0.63 -1.36 0.00 1.39 2.19 -1.26 -4.94 117.98 113.37 3gub s PHE 178 Ca 0.70 1.89 0.00 0.00 0.33 0.00 0.00 56.93 59.85 3gub s PHE 178 Cb -0.92 0.60 0.00 0.00 -1.31 0.00 0.00 43.02 41.39 3gub s PHE 178 CO 0.56 -0.74 0.00 0.41 1.83 0.00 0.00 175.22 177.28 3gub n GLY 179 N 5.43 1.66 3.68 13.12 0.00 -1.26 -4.84 105.19 122.97 3gub n GLY 179 Ca -0.07 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 3gub n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gub s THR 180 N 3.22 4.79 0.33 2.61 2.01 -1.26 -4.53 115.64 122.82 3gub s THR 180 Ca 0.00 1.91 0.12 0.00 0.31 0.00 0.00 61.69 64.03 3gub s THR 180 Cb 0.00 -4.26 0.34 0.00 0.01 0.00 0.00 72.50 68.59 3gub s THR 180 CO 0.00 -0.02 1.63 -0.65 -0.69 0.00 0.00 174.62 174.89 3gub h PRO 181 N 7.24 0.20 0.00 4.92 0.11 -1.95 0.67 132.00 143.19 3gub h PRO 181 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3gub h PRO 181 Cb 1.12 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3gub h PRO 181 CO 0.87 0.13 0.00 0.93 -0.21 0.00 0.00 178.00 179.73 3gub h GLU 182 N 0.21 0.00 -0.00 1.05 5.08 -1.93 -3.14 114.58 115.85 3gub h GLU 182 Ca 0.70 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.06 3gub h GLU 182 Cb 1.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.87 3gub h GLU 182 CO -0.68 0.00 -0.02 1.19 -1.00 0.00 0.00 179.01 178.50 3gub n PHE 183 N -2.92 0.00 -2.97 4.33 3.01 0.20 -4.79 117.46 114.32 3gub n PHE 183 Ca -0.01 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.10 3gub n PHE 183 Cb 0.18 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.58 3gub n PHE 183 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 3gub s VAL 184 N -0.55 4.46 0.70 -4.37 -7.23 -1.01 -4.19 120.40 108.19 3gub s VAL 184 Ca 0.01 1.41 -0.11 0.00 -1.81 0.00 0.00 61.98 61.48 3gub s VAL 184 Cb 0.01 -3.80 0.01 0.00 0.56 0.00 0.00 36.38 33.15 3gub s VAL 184 CO 0.02 0.01 1.06 0.00 -0.31 0.00 0.00 175.10 175.89 3gub s ALA 185 N -1.76 2.67 0.37 1.32 0.00 -1.26 -4.88 121.76 118.22 3gub s ALA 185 Ca 0.51 0.10 0.10 0.00 0.00 0.00 0.00 51.96 52.66 3gub s ALA 185 Cb -0.14 -3.18 0.86 0.00 0.00 0.00 0.00 23.12 20.66 3gub s ALA 185 CO 0.20 -1.23 1.89 -1.35 0.00 0.00 0.00 175.76 175.27 3gub h PRO 186 N -0.71 0.62 -0.02 0.00 0.11 -1.88 -1.31 132.00 128.81 3gub h PRO 186 Ca -0.44 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 3gub h PRO 186 Cb 1.21 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3gub h PRO 186 CO 0.57 0.41 -0.15 1.05 -0.21 0.00 0.00 178.00 179.66 3gub h GLU 187 N 0.63 0.03 -0.13 1.05 9.09 -1.93 -0.02 114.58 123.31 3gub h GLU 187 Ca 0.41 -0.01 -0.07 0.00 0.05 0.00 0.00 59.36 59.75 3gub h GLU 187 Cb 0.70 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.79 3gub h GLU 187 CO -0.17 0.19 -0.19 0.82 0.05 0.00 0.00 179.01 179.71 3gub h ILE 188 N 0.03 1.36 -0.99 -1.06 2.04 -1.53 0.44 117.51 117.81 3gub h ILE 188 Ca 0.01 -1.40 0.06 0.00 1.00 0.00 0.00 64.86 64.52 3gub h ILE 188 Cb 0.29 1.97 -0.06 0.00 -0.74 0.00 0.00 36.82 38.28 3gub h ILE 188 CO 0.02 0.41 0.64 0.58 0.00 0.00 0.00 178.15 179.80 3gub h VAL 189 N -0.04 1.10 -0.18 1.67 2.07 -1.08 -2.48 116.25 117.31 3gub h VAL 189 Ca 0.01 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3gub h VAL 189 Cb 0.74 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3gub h VAL 189 CO 0.04 0.21 0.00 0.59 0.02 0.00 0.00 177.57 178.44 3gub n ASN 190 N -4.49 1.91 -3.74 0.57 3.02 -0.08 -4.95 115.26 107.50 3gub n ASN 190 Ca 0.15 -1.74 -0.26 0.00 -0.03 0.00 0.00 54.58 52.71 3gub n ASN 190 Cb 0.17 -0.11 0.05 0.00 -0.61 0.00 0.00 39.78 39.27 3gub n ASN 190 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3gub n TYR 191 N 0.49 -2.36 -3.26 3.10 4.01 -0.80 -5.01 117.16 113.33 3gub n TYR 191 Ca 0.17 0.92 -0.22 0.00 -0.16 0.00 0.00 57.90 58.61 3gub n TYR 191 Cb 0.37 -4.44 0.00 0.00 -0.31 0.00 0.00 39.34 34.96 3gub n TYR 191 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3gub s GLU 192 N -6.29 3.18 0.52 -0.72 0.41 0.08 -4.99 118.70 110.89 3gub s GLU 192 Ca 0.44 -0.63 -0.22 0.00 -0.41 0.00 0.00 54.97 54.14 3gub s GLU 192 Cb -0.21 -2.68 -0.06 0.00 -1.78 0.00 0.00 34.13 29.40 3gub s GLU 192 CO 0.79 -0.05 1.34 -2.30 -0.49 0.00 0.00 175.26 174.54 3gub n PRO 193 N -1.85 1.75 -4.62 0.39 -0.02 -1.26 -4.71 135.00 124.67 3gub n PRO 193 Ca -0.01 0.64 -0.30 0.00 -2.02 0.00 0.00 63.50 61.81 3gub n PRO 193 Cb 0.57 -2.54 -0.13 0.00 -0.02 0.00 0.00 33.50 31.39 3gub n PRO 193 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3gub s LEU 194 N -3.03 2.45 0.00 2.45 1.43 0.18 -4.88 118.68 117.28 3gub s LEU 194 Ca 0.69 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 3gub s LEU 194 Cb -0.43 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.38 3gub s LEU 194 CO 0.51 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.93 3gub n GLY 195 N 1.38 4.73 0.30 -3.19 0.00 -1.26 0.30 105.19 107.45 3gub n GLY 195 Ca -0.17 -1.33 0.18 0.00 0.00 0.00 0.00 46.02 44.70 3gub n GLY 195 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gub h LEU 196 N 0.00 0.00 -1.75 0.99 3.38 -1.96 -2.92 115.31 113.06 3gub h LEU 196 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3gub h LEU 196 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3gub h LEU 196 CO 0.00 0.03 0.02 -0.33 0.09 0.00 0.00 178.44 178.24 3gub h GLU 197 N 0.00 0.17 -1.00 1.13 3.07 -1.95 -2.79 114.58 113.21 3gub h GLU 197 Ca -0.00 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3gub h GLU 197 Cb 0.15 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 27.97 3gub h GLU 197 CO 0.00 0.18 0.66 0.00 -1.40 0.00 0.00 179.01 178.45 3gub h ALA 198 N 1.85 1.27 -0.66 3.43 0.00 -1.92 -1.22 119.26 122.01 3gub h ALA 198 Ca 0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gub h ALA 198 Cb 0.10 -0.41 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3gub h ALA 198 CO -0.00 0.67 0.39 -0.44 0.00 0.00 0.00 179.25 179.87 3gub h ASP 199 N 1.36 0.79 -0.45 0.00 3.32 -1.71 -2.18 116.42 117.55 3gub h ASP 199 Ca 0.37 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.31 3gub h ASP 199 Cb -0.15 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.18 3gub h ASP 199 CO -0.08 0.61 0.06 0.24 -1.72 0.00 0.00 179.24 178.35 3gub h MET 200 N 0.91 0.82 -0.13 3.56 2.86 -1.29 -0.40 114.93 121.26 3gub h MET 200 Ca 0.24 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3gub h MET 200 Cb -0.03 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 3gub h MET 200 CO -0.04 0.79 0.08 2.35 1.06 0.00 0.00 176.91 181.15 3gub h TRP 201 N 0.78 0.16 -0.98 -0.22 2.91 -1.07 -1.96 115.95 115.58 3gub h TRP 201 Ca 0.16 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.22 3gub h TRP 201 Cb 0.39 -0.05 -0.06 0.00 -0.51 0.00 0.00 29.16 28.93 3gub h TRP 201 CO 0.02 0.10 0.64 0.77 -1.03 0.00 0.00 178.44 178.94 3gub h SER 202 N 0.17 1.07 -0.89 2.65 0.02 -0.85 -0.58 113.55 115.14 3gub h SER 202 Ca 0.05 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.02 3gub h SER 202 Cb -0.02 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.22 3gub h SER 202 CO -0.01 0.74 0.58 0.40 -1.14 0.00 0.00 176.83 177.40 3gub h ILE 203 N 1.25 1.15 -0.97 3.27 2.04 -0.79 -0.42 117.51 123.04 3gub h ILE 203 Ca 0.38 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.89 3gub h ILE 203 Cb -0.02 -0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 35.93 3gub h ILE 203 CO -0.12 0.21 0.64 1.23 0.00 0.00 0.00 178.15 180.11 3gub h GLY 204 N 1.13 1.41 0.75 5.37 0.00 -0.36 0.69 103.07 112.07 3gub h GLY 204 Ca 0.35 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 3gub h GLY 204 CO -0.11 0.44 0.00 -2.08 0.00 0.00 0.00 176.54 174.79 3gub h VAL 205 N 1.25 1.21 -0.55 4.60 2.07 -0.79 -1.54 116.25 122.51 3gub h VAL 205 Ca 0.38 -0.63 0.07 0.00 0.82 0.00 0.00 66.70 67.34 3gub h VAL 205 Cb -0.04 1.58 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 3gub h VAL 205 CO -0.11 0.17 0.23 0.40 0.02 0.00 0.00 177.57 178.28 3gub h ILE 206 N -0.20 0.87 -0.38 4.57 2.04 -0.84 -1.81 117.51 121.75 3gub h ILE 206 Ca 0.01 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.73 3gub h ILE 206 Cb 0.27 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3gub h ILE 206 CO 0.00 0.08 0.24 0.74 0.00 0.00 0.00 178.15 179.21 3gub h THR 207 N 0.44 1.07 -0.50 -0.27 2.02 -0.72 0.26 112.91 115.22 3gub h THR 207 Ca 0.26 -0.17 0.06 0.00 0.77 0.00 0.00 66.41 67.34 3gub h THR 207 Cb 0.24 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 67.14 3gub h THR 207 CO -0.23 0.09 0.19 0.22 0.37 0.00 0.00 175.52 176.16 3gub h TYR 208 N 0.48 0.33 -0.45 3.16 5.03 -0.82 -1.99 116.97 122.71 3gub h TYR 208 Ca 0.15 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.47 3gub h TYR 208 Cb -0.03 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.16 3gub h TYR 208 CO -0.06 0.11 0.23 0.82 -1.32 0.00 0.00 178.16 177.94 3gub h ILE 209 N 0.37 1.17 -0.98 1.81 2.04 -0.85 -2.29 117.51 118.79 3gub h ILE 209 Ca 0.24 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.67 3gub h ILE 209 Cb 0.24 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 3gub h ILE 209 CO -0.23 0.19 0.64 -0.07 0.00 0.00 0.00 178.15 178.67 3gub h LEU 210 N 0.59 1.04 -0.14 1.44 3.38 -0.56 0.19 115.31 121.24 3gub h LEU 210 Ca 0.16 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.94 3gub h LEU 210 Cb 0.09 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3gub h LEU 210 CO -0.02 0.69 -0.86 -0.07 0.09 0.00 0.00 178.44 178.26 3gub h LEU 211 N 1.19 0.00 0.00 1.67 3.38 -1.15 -3.40 115.31 117.00 3gub h LEU 211 Ca 0.41 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.33 3gub h LEU 211 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3gub h LEU 211 CO -0.14 0.86 -1.18 -1.54 0.09 0.00 0.00 178.44 176.52 3gub n SER 212 N -3.41 4.29 0.00 -0.43 3.41 -0.88 -4.80 113.62 111.80 3gub n SER 212 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3gub n SER 212 Cb 0.85 0.70 0.00 0.00 -0.26 0.00 0.00 64.21 65.50 3gub n SER 212 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gub n GLY 213 N 2.71 0.53 3.35 5.00 0.00 0.65 -4.97 105.19 112.45 3gub n GLY 213 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 3gub n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gub s ALA 214 N -2.20 2.13 -0.21 4.61 0.00 -1.26 -5.05 121.76 119.78 3gub s ALA 214 Ca 0.00 -1.40 -0.17 0.00 0.00 0.00 0.00 51.96 50.40 3gub s ALA 214 Cb 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 3gub s ALA 214 CO 0.00 0.43 0.44 0.45 0.00 0.00 0.00 175.76 177.08 3gub s SER 215 N -2.11 6.47 0.36 0.00 0.15 -1.26 -3.83 113.70 113.48 3gub s SER 215 Ca 0.12 0.55 0.14 0.00 0.70 0.00 0.00 55.95 57.46 3gub s SER 215 Cb -0.09 -2.25 0.68 0.00 -1.71 0.00 0.00 66.02 62.64 3gub s SER 215 CO 0.06 -0.13 1.78 1.55 1.20 0.00 0.00 173.24 177.69 3gub h PRO 216 N 7.48 0.00 -0.01 5.44 0.13 -1.91 -3.23 132.00 139.91 3gub h PRO 216 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3gub h PRO 216 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3gub h PRO 216 CO 0.72 0.42 -0.01 1.19 -0.23 0.00 0.00 178.00 180.08 3gub n PHE 217 N -3.90 0.00 -1.84 1.56 3.72 -1.26 -4.50 117.46 111.24 3gub n PHE 217 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.96 3gub n PHE 217 Cb 0.46 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.97 3gub n PHE 217 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3gub s LEU 218 N -0.80 4.38 0.00 4.37 2.96 -1.22 -4.46 118.68 123.91 3gub s LEU 218 Ca 0.10 2.59 0.03 0.00 -0.22 0.00 0.00 54.13 56.63 3gub s LEU 218 Cb 0.07 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 43.23 3gub s LEU 218 CO 0.12 -0.94 0.24 0.61 -1.32 0.00 0.00 176.35 175.05 3gub n GLY 219 N 4.12 2.65 0.18 7.98 0.00 -1.26 -4.93 105.19 113.92 3gub n GLY 219 Ca 0.17 -2.21 0.13 0.00 0.00 0.00 0.00 46.02 44.10 3gub n GLY 219 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gub h ASP 220 N 0.23 0.00 -4.39 1.61 3.32 -1.95 -3.45 116.42 111.80 3gub h ASP 220 Ca -0.15 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.62 3gub h ASP 220 Cb 0.58 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.98 3gub h ASP 220 CO 0.23 0.00 -0.69 0.42 -1.72 0.00 0.00 179.24 177.48 3gub s THR 221 N -3.19 0.82 0.21 0.35 -4.23 -1.26 -5.04 115.64 103.29 3gub s THR 221 Ca 0.08 -1.99 -0.09 0.00 -1.18 0.00 0.00 61.69 58.51 3gub s THR 221 Cb 0.08 -1.90 0.17 0.00 1.34 0.00 0.00 72.50 72.19 3gub s THR 221 CO 0.63 -0.68 1.86 0.11 -0.54 0.00 0.00 174.62 175.99 3gub h LYS 222 N 2.81 1.09 -0.58 3.99 1.57 -1.91 -1.57 116.57 121.98 3gub h LYS 222 Ca -0.36 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 3gub h LYS 222 Cb 1.19 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 3gub h LYS 222 CO 0.64 0.77 0.27 0.37 -0.57 0.00 0.00 179.45 180.93 3gub h GLN 223 N 1.10 0.82 -0.51 3.15 -0.00 -1.97 -0.42 115.11 117.29 3gub h GLN 223 Ca 0.29 -0.11 -0.12 0.00 -0.00 0.00 0.00 58.65 58.70 3gub h GLN 223 Cb -0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 27.48 27.28 3gub h GLN 223 CO -0.05 0.65 -0.17 0.93 0.00 0.00 0.00 178.83 180.19 3gub h GLU 224 N 0.82 1.00 -0.09 1.69 5.08 -1.82 -0.70 114.58 120.56 3gub h GLU 224 Ca 0.20 -0.40 0.02 0.00 -1.00 0.00 0.00 59.36 58.18 3gub h GLU 224 Cb 0.11 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3gub h GLU 224 CO -0.02 1.08 -0.04 1.15 -1.00 0.00 0.00 179.01 180.18 3gub h THR 225 N 0.88 0.87 -0.79 1.13 2.02 -0.79 -0.96 112.91 115.26 3gub h THR 225 Ca 0.12 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.27 3gub h THR 225 Cb 0.74 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 3gub h THR 225 CO 0.06 0.00 0.38 -0.07 0.37 0.00 0.00 175.52 176.26 3gub h LEU 226 N -0.02 1.04 -0.93 2.58 3.38 -0.97 -0.66 115.31 119.73 3gub h LEU 226 Ca 0.05 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3gub h LEU 226 Cb 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3gub h LEU 226 CO -0.11 0.88 0.22 0.00 0.09 0.00 0.00 178.44 179.52 3gub h ALA 227 N 1.20 1.14 -0.33 1.53 0.00 -0.89 -1.35 119.26 120.54 3gub h ALA 227 Ca 0.27 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3gub h ALA 227 Cb 0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3gub h ALA 227 CO -0.03 0.60 0.21 -0.91 0.00 0.00 0.00 179.25 179.11 3gub h ASN 228 N 0.97 0.35 -0.02 0.00 2.35 -0.52 -2.27 115.58 116.44 3gub h ASN 228 Ca 0.22 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.98 3gub h ASN 228 Cb 0.26 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3gub h ASN 228 CO -0.01 0.25 -0.08 0.58 -1.65 0.00 0.00 177.43 176.53 3gub h VAL 229 N 0.42 0.80 -0.43 2.81 2.07 -0.88 0.64 116.25 121.67 3gub h VAL 229 Ca 0.13 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 3gub h VAL 229 Cb -0.03 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3gub h VAL 229 CO -0.04 0.00 0.21 -1.28 0.02 0.00 0.00 177.57 176.47 3gub h SER 230 N -0.12 0.53 0.15 0.57 0.87 -1.10 -1.38 113.55 113.07 3gub h SER 230 Ca 0.04 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3gub h SER 230 Cb 0.17 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 3gub h SER 230 CO -0.10 0.46 -0.08 0.00 -0.53 0.00 0.00 176.83 176.58 3gub n ALA 231 N -2.47 2.74 -3.75 6.23 0.00 -0.87 -4.93 120.51 117.46 3gub n ALA 231 Ca 0.03 -0.34 -0.23 0.00 0.00 0.00 0.00 53.44 52.90 3gub n ALA 231 Cb 0.12 -1.27 0.03 0.00 0.00 0.00 0.00 19.45 18.33 3gub n ALA 231 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gub n VAL 232 N -0.52 -4.05 -3.04 0.00 0.31 -0.47 -4.89 118.33 105.67 3gub n VAL 232 Ca 0.17 -0.44 -0.44 0.00 -0.01 0.00 0.00 64.34 63.62 3gub n VAL 232 Cb 0.29 -3.56 -0.00 0.00 -0.91 0.00 0.00 33.84 29.66 3gub n VAL 232 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3gub s ASN 233 N -4.24 7.14 0.05 4.52 2.47 0.09 -4.93 114.94 120.05 3gub s ASN 233 Ca 0.08 -3.16 -0.05 0.00 0.42 0.00 0.00 52.86 50.15 3gub s ASN 233 Cb -0.04 -2.35 -0.02 0.00 -1.45 0.00 0.00 41.25 37.39 3gub s ASN 233 CO 0.82 -0.63 0.09 -0.72 -3.72 0.00 0.00 177.10 172.94 3gub s TYR 234 N 0.86 0.28 0.17 0.43 1.13 -1.26 -4.65 117.35 114.31 3gub s TYR 234 Ca 0.40 -0.68 -0.13 0.00 -1.41 0.00 0.00 57.07 55.25 3gub s TYR 234 Cb -0.05 -0.19 0.01 0.00 -1.10 0.00 0.00 41.96 40.63 3gub s TYR 234 CO -0.02 -0.42 0.38 -1.83 -2.51 0.00 0.00 175.55 171.15 3gub s GLU 235 N -3.30 1.21 -0.62 -3.49 -1.05 -1.26 -5.11 118.70 105.08 3gub s GLU 235 Ca 0.01 -1.01 -0.22 0.00 -0.15 0.00 0.00 54.97 53.60 3gub s GLU 235 Cb 0.03 0.43 0.07 0.00 -0.44 0.00 0.00 34.13 34.23 3gub s GLU 235 CO -0.08 -0.47 0.87 -0.06 0.95 0.00 0.00 175.26 176.47 3gub s PHE 236 N -3.91 2.80 0.05 4.83 0.08 -1.26 -5.02 117.98 115.55 3gub s PHE 236 Ca 0.12 -0.59 -0.30 0.00 0.12 0.00 0.00 56.93 56.28 3gub s PHE 236 Cb 0.02 -4.13 -0.08 0.00 -0.57 0.00 0.00 43.02 38.25 3gub s PHE 236 CO -0.03 -1.48 1.68 -1.21 -0.10 0.00 0.00 175.22 174.08 3gub s GLU 237 N 3.59 4.19 0.37 0.44 0.41 -1.26 -4.84 118.70 121.60 3gub s GLU 237 Ca 0.20 2.34 0.09 0.00 -0.41 0.00 0.00 54.97 57.18 3gub s GLU 237 Cb -0.18 -3.69 0.83 0.00 -1.78 0.00 0.00 34.13 29.30 3gub s GLU 237 CO 0.10 -0.77 1.90 -0.44 -0.49 0.00 0.00 175.26 175.57 3gub h ASP 238 N 8.66 0.62 -0.68 -0.19 3.32 -1.95 0.18 116.42 126.39 3gub h ASP 238 Ca -0.43 0.03 0.09 0.00 0.02 0.00 0.00 57.03 56.74 3gub h ASP 238 Cb 1.20 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.61 3gub h ASP 238 CO 0.93 0.34 0.45 -0.08 -1.72 0.00 0.00 179.24 179.17 3gub h GLU 239 N 0.67 0.54 0.02 3.56 4.81 -2.01 0.34 114.58 122.52 3gub h GLU 239 Ca 0.40 -0.03 -0.34 0.00 -0.13 0.00 0.00 59.36 59.25 3gub h GLU 239 Cb 0.60 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 3gub h GLU 239 CO -0.16 0.36 -2.06 0.66 -0.73 0.00 0.00 179.01 177.08 3gub n TYR 240 N -4.48 0.60 0.46 0.92 0.53 -0.48 -4.64 117.16 110.06 3gub n TYR 240 Ca 0.11 0.19 0.05 0.00 -1.02 0.00 0.00 57.90 57.23 3gub n TYR 240 Cb 0.34 -1.10 0.03 0.00 -1.03 0.00 0.00 39.34 37.58 3gub n TYR 240 CO 0.00 0.00 0.00 1.19 -1.02 0.00 0.00 176.86 177.03 3gub n PHE 241 N -3.03 0.00 -0.20 -0.72 3.01 0.52 -4.74 117.46 112.30 3gub n PHE 241 Ca -0.27 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.38 3gub n PHE 241 Cb 1.08 0.00 0.54 0.00 -0.01 0.00 0.00 39.48 41.10 3gub n PHE 241 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3gub h SER 242 N 1.90 0.33 -0.22 4.37 4.64 -1.13 0.43 113.55 123.87 3gub h SER 242 Ca 0.00 0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 3gub h SER 242 Cb 0.43 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.44 3gub h SER 242 CO 0.00 0.15 -0.11 0.59 -0.87 0.00 0.00 176.83 176.59 3gub n ASN 243 N -4.47 2.71 -4.82 4.97 3.02 -1.26 -4.98 115.26 110.43 3gub n ASN 243 Ca 0.17 -3.48 -0.38 0.00 -0.03 0.00 0.00 54.58 50.86 3gub n ASN 243 Cb 0.67 -0.56 -0.06 0.00 -0.61 0.00 0.00 39.78 39.22 3gub n ASN 243 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3gub s THR 244 N -3.08 4.80 0.57 3.41 2.01 0.14 -5.05 115.64 118.45 3gub s THR 244 Ca 0.41 1.11 -0.19 0.00 0.31 0.00 0.00 61.69 63.33 3gub s THR 244 Cb 0.36 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 3gub s THR 244 CO 0.02 0.53 1.21 -0.94 -0.69 0.00 0.00 174.62 174.74 3gub s SER 245 N -1.16 5.33 0.42 3.53 1.04 -1.26 -4.90 113.70 116.69 3gub s SER 245 Ca 0.29 2.38 0.08 0.00 0.48 0.00 0.00 55.95 59.18 3gub s SER 245 Cb -0.19 -2.60 0.88 0.00 0.10 0.00 0.00 66.02 64.22 3gub s SER 245 CO 0.18 -1.50 2.06 0.00 0.98 0.00 0.00 173.24 174.96 3gub h ALA 246 N 1.05 1.73 -0.42 5.32 0.00 -1.96 -2.30 119.26 122.67 3gub h ALA 246 Ca -0.50 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 3gub h ALA 246 Cb 1.29 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3gub h ALA 246 CO 0.56 0.25 -0.00 -0.07 0.00 0.00 0.00 179.25 179.99 3gub h LEU 247 N 0.53 0.64 -0.18 0.00 3.38 -1.99 0.81 115.31 118.51 3gub h LEU 247 Ca 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3gub h LEU 247 Cb -0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3gub h LEU 247 CO -0.03 0.72 0.08 0.00 0.09 0.00 0.00 178.44 179.29 3gub h ALA 248 N 1.36 0.23 -0.74 1.53 0.00 -1.79 -1.32 119.26 118.53 3gub h ALA 248 Ca 0.13 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3gub h ALA 248 Cb 0.40 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3gub h ALA 248 CO 0.02 -0.20 0.47 0.87 0.00 0.00 0.00 179.25 180.41 3gub h LYS 249 N 0.14 0.89 -0.46 0.00 1.57 -1.25 -2.36 116.57 115.10 3gub h LYS 249 Ca 0.06 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 3gub h LYS 249 Cb 0.15 -0.20 -0.06 0.00 0.08 0.00 0.00 32.23 32.20 3gub h LYS 249 CO -0.01 0.59 0.12 0.22 -0.57 0.00 0.00 179.45 179.80 3gub h ASP 250 N 0.91 0.08 -0.16 0.86 1.82 -0.67 -0.28 116.42 118.98 3gub h ASP 250 Ca 0.29 0.07 0.05 0.00 -0.39 0.00 0.00 57.03 57.05 3gub h ASP 250 Cb 0.00 0.08 -0.05 0.00 0.68 0.00 0.00 39.33 40.04 3gub h ASP 250 CO -0.10 0.08 -0.14 0.15 -1.61 0.00 0.00 179.24 177.61 3gub h PHE 251 N 0.27 -0.36 -0.54 0.28 3.04 -0.95 -1.66 116.94 117.02 3gub h PHE 251 Ca 0.22 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.15 3gub h PHE 251 Cb 0.26 0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.93 3gub h PHE 251 CO -0.19 -0.21 0.17 0.82 -2.02 0.00 0.00 178.31 176.88 3gub h ILE 252 N -0.16 1.24 -0.62 1.41 2.04 -1.15 -2.71 117.51 117.55 3gub h ILE 252 Ca 0.10 -0.80 0.08 0.00 1.00 0.00 0.00 64.86 65.24 3gub h ILE 252 Cb 0.31 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 3gub h ILE 252 CO -0.26 0.30 0.41 0.03 0.00 0.00 0.00 178.15 178.63 3gub h ARG 253 N 0.75 0.50 -0.00 2.37 3.08 -0.62 -0.61 114.38 119.86 3gub h ARG 253 Ca 0.17 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3gub h ARG 253 Cb 0.29 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3gub h ARG 253 CO -0.00 0.33 -0.17 0.54 -1.07 0.00 0.00 179.97 179.60 3gub n ARG 254 N -4.48 0.17 -0.10 0.04 1.74 -0.66 -3.61 116.66 109.76 3gub n ARG 254 Ca 0.10 -0.05 -0.15 0.00 -0.77 0.00 0.00 57.85 56.98 3gub n ARG 254 Cb 0.31 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.12 3gub n ARG 254 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3gub n LEU 255 N -1.37 1.77 -3.59 0.55 4.77 -0.51 -1.42 117.00 117.21 3gub n LEU 255 Ca 0.09 -0.03 -0.41 0.00 -0.03 0.00 0.00 56.01 55.63 3gub n LEU 255 Cb 0.32 -0.36 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 3gub n LEU 255 CO 0.28 0.74 2.56 0.18 -1.33 0.00 0.00 177.39 179.83 3gub n LEU 256 N -3.09 7.65 -4.18 2.23 4.77 -0.35 -4.29 117.00 119.74 3gub n LEU 256 Ca -0.38 -4.58 -0.32 0.00 -0.03 0.00 0.00 56.01 50.70 3gub n LEU 256 Cb 1.06 -1.49 -0.17 0.00 -2.33 0.00 0.00 43.42 40.49 3gub n LEU 256 CO 0.35 1.73 -0.55 -0.69 -1.33 0.00 0.00 177.39 176.90 3gub s VAL 257 N 0.75 1.98 0.11 4.08 1.01 -1.26 -4.95 120.40 122.11 3gub s VAL 257 Ca 0.53 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 3gub s VAL 257 Cb 0.15 -1.73 -0.07 0.00 0.00 0.00 0.00 36.38 34.73 3gub s VAL 257 CO -0.06 0.54 1.70 0.50 0.00 0.00 0.00 175.10 177.78 3gub h LYS 258 N 6.95 0.30 -6.48 2.72 3.64 -1.96 -3.41 116.57 118.34 3gub h LYS 258 Ca -0.24 -0.04 -0.57 0.00 -1.27 0.00 0.00 60.65 58.53 3gub h LYS 258 Cb 1.22 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.93 3gub h LYS 258 CO 0.50 0.29 1.02 0.34 -2.27 0.00 0.00 179.45 179.33 3gub s ASP 259 N -5.51 6.48 0.55 4.20 -1.08 -1.26 -4.76 116.67 115.29 3gub s ASP 259 Ca -0.13 0.95 0.26 0.00 -0.52 0.00 0.00 52.55 53.11 3gub s ASP 259 Cb 0.08 -2.54 1.60 0.00 -1.46 0.00 0.00 42.92 40.60 3gub s ASP 259 CO 0.70 -1.29 2.18 1.55 0.52 0.00 0.00 175.17 178.84 3gub h PRO 260 N 10.06 0.00 0.00 4.34 0.13 -1.97 0.06 132.00 144.62 3gub h PRO 260 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 3gub h PRO 260 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3gub h PRO 260 CO 1.07 0.04 -0.07 0.87 -0.23 0.00 0.00 178.00 179.68 3gub h LYS 261 N 0.00 0.00 -0.02 0.86 6.56 -1.95 -2.96 116.57 119.06 3gub h LYS 261 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3gub h LYS 261 Cb 0.09 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 3gub h LYS 261 CO 0.01 0.07 -0.31 1.63 -2.06 0.00 0.00 179.45 178.78 3gub n LYS 262 N -3.26 1.57 -2.79 3.15 4.76 -0.01 -4.97 118.16 116.62 3gub n LYS 262 Ca -0.00 -1.26 -0.35 0.00 -2.87 0.00 0.00 58.31 53.83 3gub n LYS 262 Cb 0.29 -1.44 -0.07 0.00 -1.84 0.00 0.00 35.03 31.97 3gub n LYS 262 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3gub s ARG 263 N -2.24 4.39 0.37 1.97 3.52 -1.12 -5.00 118.95 120.85 3gub s ARG 263 Ca 0.21 1.24 -0.28 0.00 -0.13 0.00 0.00 55.73 56.76 3gub s ARG 263 Cb 0.18 -2.49 -0.11 0.00 -1.56 0.00 0.00 34.95 30.96 3gub s ARG 263 CO 0.46 0.11 1.50 -1.33 -0.81 0.00 0.00 175.30 175.23 3gub n MET 264 N -0.04 2.69 -2.13 5.12 2.81 -0.51 -5.01 117.12 120.04 3gub n MET 264 Ca 0.04 0.94 -0.27 0.00 -1.81 0.00 0.00 57.70 56.61 3gub n MET 264 Cb 0.52 -2.68 0.09 0.00 -0.71 0.00 0.00 33.22 30.44 3gub n MET 264 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3gub s THR 265 N -1.05 2.17 0.18 2.03 -4.23 -1.26 -4.88 115.64 108.60 3gub s THR 265 Ca 0.54 -0.21 -0.14 0.00 -1.18 0.00 0.00 61.69 60.71 3gub s THR 265 Cb -0.48 -2.96 0.07 0.00 1.34 0.00 0.00 72.50 70.47 3gub s THR 265 CO 0.63 0.00 1.81 -0.29 -0.54 0.00 0.00 174.62 176.23 3gub h ILE 266 N -0.83 1.04 -0.78 2.99 6.09 -1.95 -0.32 117.51 123.75 3gub h ILE 266 Ca -0.44 -0.20 -0.03 0.00 -1.37 0.00 0.00 64.86 62.82 3gub h ILE 266 Cb 1.30 0.40 -0.04 0.00 0.47 0.00 0.00 36.82 38.96 3gub h ILE 266 CO 0.57 0.11 0.38 1.56 -3.07 0.00 0.00 178.15 177.69 3gub h GLN 267 N 0.59 1.12 -0.60 2.19 4.20 -1.98 -2.28 115.11 118.35 3gub h GLN 267 Ca 0.21 -0.16 0.06 0.00 0.06 0.00 0.00 58.65 58.81 3gub h GLN 267 Cb 0.04 -0.20 -0.05 0.00 0.30 0.00 0.00 27.48 27.56 3gub h GLN 267 CO -0.10 0.87 0.31 -0.44 -0.67 0.00 0.00 178.83 178.79 3gub h ASP 268 N 1.10 0.43 -0.66 1.46 3.32 -1.82 -2.72 116.42 117.54 3gub h ASP 268 Ca 0.27 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 3gub h ASP 268 Cb 0.11 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3gub h ASP 268 CO -0.03 0.28 0.29 0.28 -1.72 0.00 0.00 179.24 178.33 3gub h SER 269 N 0.57 0.91 0.82 6.45 0.02 -0.52 -1.89 113.55 119.92 3gub h SER 269 Ca 0.28 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 3gub h SER 269 Cb 0.21 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 3gub h SER 269 CO -0.20 0.80 -0.31 -0.07 -1.14 0.00 0.00 176.83 175.91 3gub h LEU 270 N 0.98 0.00 0.00 5.07 3.38 -1.17 -3.03 115.31 120.54 3gub h LEU 270 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3gub h LEU 270 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3gub h LEU 270 CO -0.02 0.31 -0.52 0.00 0.09 0.00 0.00 178.44 178.29 3gub n GLN 271 N -3.52 0.01 -1.85 1.13 1.13 -0.84 -3.65 117.38 109.79 3gub n GLN 271 Ca -0.00 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.65 3gub n GLN 271 Cb 0.46 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.29 3gub n GLN 271 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 3gub s HIS 272 N -3.01 2.81 0.66 1.08 2.46 -0.77 -4.57 115.29 113.95 3gub s HIS 272 Ca 0.11 0.91 0.35 0.00 0.47 0.00 0.00 55.06 56.90 3gub s HIS 272 Cb 0.17 -3.99 1.92 0.00 -0.13 0.00 0.00 32.58 30.56 3gub s HIS 272 CO 0.71 -3.23 2.09 -1.35 -2.47 0.00 0.00 174.74 170.49 3gub h PRO 273 N 4.60 0.00 0.00 2.88 0.11 -1.91 0.22 132.00 137.91 3gub h PRO 273 Ca -0.47 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 3gub h PRO 273 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3gub h PRO 273 CO 0.76 0.00 -0.46 2.35 -0.21 0.00 0.00 178.00 180.45 3gub h TRP 274 N 0.00 0.00 0.00 0.65 7.01 -1.89 -3.36 115.95 118.36 3gub h TRP 274 Ca 0.01 0.00 -0.36 0.00 2.11 0.00 0.00 58.89 60.65 3gub h TRP 274 Cb 0.43 0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 27.43 3gub h TRP 274 CO 0.00 0.46 -2.25 -0.89 -2.79 0.00 0.00 178.44 172.97 3gub n ILE 275 N -3.54 1.24 -1.75 2.65 2.08 0.56 -4.98 119.36 115.63 3gub n ILE 275 Ca -0.00 -0.38 -0.42 0.00 0.56 0.00 0.00 62.75 62.50 3gub n ILE 275 Cb 0.57 -1.57 -0.03 0.00 -0.75 0.00 0.00 39.64 37.86 3gub n ILE 275 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 3gub s LYS 276 N -2.42 4.14 0.00 0.38 2.20 0.00 -5.00 119.74 119.05 3gub s LYS 276 Ca -0.31 2.56 0.00 0.00 -0.36 0.00 0.00 55.97 57.86 3gub s LYS 276 Cb 0.10 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 3gub s LYS 276 CO 0.44 -0.81 0.74 -0.35 -0.36 0.00 0.00 175.35 175.01 3gub n PRO 277 N 5.46 0.81 0.00 4.03 -0.04 -1.26 -4.88 135.00 139.11 3gub n PRO 277 Ca 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 3gub n PRO 277 Cb 0.38 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 3gub n PRO 277 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3gub n GLN 292 N 0.51 0.00 0.00 0.54 6.02 -1.26 -5.14 117.38 118.05 3gub n GLN 292 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.07 3gub n GLN 292 Cb 0.37 -0.49 0.06 0.00 1.02 0.00 0.00 30.24 31.21 3gub n GLN 292 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24