#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gcu s LYS 13 N 0.00 0.83 -0.10 2.12 2.47 -1.26 -4.94 119.74 118.87 2gcu s LYS 13 Ca 0.00 -0.48 -0.26 0.00 -1.56 0.00 0.00 55.97 53.67 2gcu s LYS 13 Cb 0.00 -2.12 -0.02 0.00 -1.46 0.00 0.00 37.83 34.23 2gcu s LYS 13 CO 0.00 -0.61 0.82 -1.17 0.16 0.00 0.00 175.35 174.56 2gcu s LEU 14 N 1.78 4.26 -0.16 5.43 2.96 -1.26 -0.39 118.68 131.31 2gcu s LEU 14 Ca -0.01 1.29 -0.05 0.00 -0.22 0.00 0.00 54.13 55.13 2gcu s LEU 14 Cb -0.17 -3.26 -0.03 0.00 0.50 0.00 0.00 46.19 43.22 2gcu s LEU 14 CO -0.08 -0.28 0.02 -0.22 -1.32 0.00 0.00 176.35 174.47 2gcu s LEU 15 N 1.46 3.56 -0.02 -0.68 0.20 -0.13 -4.92 118.68 118.16 2gcu s LEU 15 Ca 0.41 0.01 0.00 0.00 0.69 0.00 0.00 54.13 55.24 2gcu s LEU 15 Cb -0.18 -1.87 0.02 0.00 -0.43 0.00 0.00 46.19 43.73 2gcu s LEU 15 CO 0.18 0.20 0.01 0.12 -0.29 0.00 0.00 176.35 176.56 2gcu s PHE 16 N 0.22 0.16 -0.01 5.38 5.36 -1.26 -1.03 117.98 126.81 2gcu s PHE 16 Ca 0.01 0.06 0.01 0.00 -0.96 0.00 0.00 56.93 56.05 2gcu s PHE 16 Cb -0.13 -0.29 0.00 0.00 -0.34 0.00 0.00 43.02 42.26 2gcu s PHE 16 CO 0.02 -0.09 -0.03 1.03 -1.46 0.00 0.00 175.22 174.68 2gcu s ARG 17 N 0.91 0.28 -0.17 10.12 1.81 -0.22 -5.00 118.95 126.68 2gcu s ARG 17 Ca -0.08 -0.09 -0.06 0.00 -1.72 0.00 0.00 55.73 53.78 2gcu s ARG 17 Cb -0.12 -0.30 -0.04 0.00 -0.45 0.00 0.00 34.95 34.04 2gcu s ARG 17 CO -0.02 0.03 0.02 -1.14 -0.68 0.00 0.00 175.30 173.52 2gcu s GLN 18 N 0.12 3.80 0.06 3.54 0.74 -1.26 -0.49 119.66 126.17 2gcu s GLN 18 Ca -0.01 -0.41 0.06 0.00 0.05 0.00 0.00 55.36 55.05 2gcu s GLN 18 Cb -0.04 -3.08 -0.03 0.00 1.10 0.00 0.00 33.01 30.97 2gcu s GLN 18 CO -0.00 0.30 -0.16 -0.51 -0.55 0.00 0.00 175.29 174.36 2gcu s LEU 19 N 0.26 2.23 -0.03 3.68 1.43 0.22 -4.99 118.68 121.48 2gcu s LEU 19 Ca 0.01 -0.56 0.06 0.00 -1.03 0.00 0.00 54.13 52.61 2gcu s LEU 19 Cb -0.13 -0.65 -0.01 0.00 0.03 0.00 0.00 46.19 45.42 2gcu s LEU 19 CO 0.01 0.01 -0.22 0.12 0.23 0.00 0.00 176.35 176.50 2gcu s PHE 20 N -1.06 2.05 -0.33 0.29 5.36 -1.26 -0.67 117.98 122.35 2gcu s PHE 20 Ca 0.02 -0.48 -0.04 0.00 -0.96 0.00 0.00 56.93 55.46 2gcu s PHE 20 Cb -0.09 -1.33 0.05 0.00 -0.34 0.00 0.00 43.02 41.31 2gcu s PHE 20 CO 0.02 -0.10 0.08 -2.00 -1.46 0.00 0.00 175.22 171.76 2gcu s GLU 21 N -0.33 2.49 0.39 10.12 -6.30 0.15 -4.97 118.70 120.24 2gcu s GLU 21 Ca 0.03 -1.28 0.20 0.00 -2.50 0.00 0.00 54.97 51.42 2gcu s GLU 21 Cb -0.10 -3.38 0.71 0.00 0.00 0.00 0.00 34.13 31.35 2gcu s GLU 21 CO 0.01 -0.70 1.74 -2.95 0.02 0.00 0.00 175.26 173.38 2gcu h ASN 22 N 8.13 0.00 -0.47 -1.70 -1.07 -1.96 0.15 115.58 118.67 2gcu h ASN 22 Ca -0.21 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.08 2gcu h ASN 22 Cb 1.07 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.30 2gcu h ASN 22 CO 0.59 0.34 0.02 -0.33 0.07 0.00 0.00 177.43 178.13 2gcu h GLU 23 N 0.00 0.87 -0.02 4.14 5.08 -1.98 -3.19 114.58 119.48 2gcu h GLU 23 Ca -0.00 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2gcu h GLU 23 Cb 0.89 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2gcu h GLU 23 CO 0.04 0.85 0.00 -1.13 -1.00 0.00 0.00 179.01 177.78 2gcu n SER 24 N -4.21 1.95 -3.25 1.42 3.41 -1.15 -4.99 113.62 106.80 2gcu n SER 24 Ca 0.03 -1.48 -0.23 0.00 -0.26 0.00 0.00 58.87 56.93 2gcu n SER 24 Cb 0.30 -0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.30 2gcu n SER 24 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2gcu n SER 25 N 0.64 -6.24 -4.84 4.04 7.64 0.47 -4.93 113.62 110.39 2gcu n SER 25 Ca 0.07 -0.40 -0.37 0.00 1.01 0.00 0.00 58.87 59.18 2gcu n SER 25 Cb 0.29 -4.97 -0.06 0.00 -1.01 0.00 0.00 64.21 58.45 2gcu n SER 25 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2gcu s THR 26 N -3.24 5.45 -0.17 0.44 2.01 -0.89 -2.68 115.64 116.56 2gcu s THR 26 Ca 0.43 0.26 -0.14 0.00 0.31 0.00 0.00 61.69 62.55 2gcu s THR 26 Cb -0.19 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 2gcu s THR 26 CO 0.53 0.58 0.30 -0.36 -0.69 0.00 0.00 174.62 174.97 2gcu s PHE 27 N -0.73 3.43 -0.07 4.92 0.08 0.62 -0.67 117.98 125.57 2gcu s PHE 27 Ca 0.14 0.56 -0.03 0.00 0.12 0.00 0.00 56.93 57.73 2gcu s PHE 27 Cb -0.12 -2.36 -0.04 0.00 -0.57 0.00 0.00 43.02 39.93 2gcu s PHE 27 CO 0.04 0.18 0.08 0.99 -0.10 0.00 0.00 175.22 176.41 2gcu s THR 28 N 0.65 4.87 -0.10 0.64 2.01 0.16 -4.74 115.64 119.13 2gcu s THR 28 Ca 0.16 -0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.05 2gcu s THR 28 Cb -0.13 -3.14 -0.01 0.00 0.01 0.00 0.00 72.50 69.23 2gcu s THR 28 CO 0.04 0.52 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.98 2gcu s TYR 29 N -1.04 2.62 -0.21 4.92 2.02 -0.58 -0.61 117.35 124.48 2gcu s TYR 29 Ca 0.17 -0.81 -0.05 0.00 -0.37 0.00 0.00 57.07 56.01 2gcu s TYR 29 Cb -0.12 -1.73 -0.03 0.00 -0.40 0.00 0.00 41.96 39.69 2gcu s TYR 29 CO 0.07 -0.28 0.01 -1.17 -1.57 0.00 0.00 175.55 172.61 2gcu s LEU 30 N 0.19 3.30 -0.01 -1.29 2.96 0.36 -0.46 118.68 123.73 2gcu s LEU 30 Ca -0.12 -0.19 0.06 0.00 -0.22 0.00 0.00 54.13 53.65 2gcu s LEU 30 Cb -0.16 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 2gcu s LEU 30 CO 0.07 0.05 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.21 2gcu s LEU 31 N 1.08 2.03 -0.01 -0.68 1.02 -0.65 -1.06 118.68 120.41 2gcu s LEU 31 Ca 0.03 -0.33 -0.07 0.00 0.02 0.00 0.00 54.13 53.78 2gcu s LEU 31 Cb -0.14 -0.93 0.00 0.00 0.02 0.00 0.00 46.19 45.14 2gcu s LEU 31 CO 0.02 0.22 0.15 0.00 0.02 0.00 0.00 176.35 176.76 2gcu s ALA 32 N -0.42 -0.35 -0.69 4.21 0.00 -0.19 -0.46 121.76 123.84 2gcu s ALA 32 Ca 0.07 -0.02 -0.18 0.00 0.00 0.00 0.00 51.96 51.82 2gcu s ALA 32 Cb -0.07 0.04 0.12 0.00 0.00 0.00 0.00 23.12 23.22 2gcu s ALA 32 CO -0.01 -0.19 0.81 0.34 0.00 0.00 0.00 175.76 176.71 2gcu s ASP 33 N -1.14 6.35 0.00 0.00 2.15 -0.56 -0.95 116.67 122.53 2gcu s ASP 33 Ca -0.12 -1.72 0.13 0.00 0.43 0.00 0.00 52.55 51.27 2gcu s ASP 33 Cb -0.06 -2.31 0.58 0.00 -0.30 0.00 0.00 42.92 40.82 2gcu s ASP 33 CO 0.01 -1.04 1.40 1.33 -0.17 0.00 0.00 175.17 176.71 2gcu n VAL 34 N 5.32 0.17 0.71 1.11 0.24 0.48 -2.98 118.33 123.37 2gcu n VAL 34 Ca 0.01 -0.21 0.12 0.00 -2.04 0.00 0.00 64.34 62.22 2gcu n VAL 34 Cb 0.44 0.08 0.28 0.00 -1.47 0.00 0.00 33.84 33.18 2gcu n VAL 34 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2gcu n SER 35 N -0.11 0.61 -4.85 -1.34 3.41 -1.25 -4.89 113.62 105.20 2gcu n SER 35 Ca 0.11 0.18 -0.37 0.00 -0.26 0.00 0.00 58.87 58.53 2gcu n SER 35 Cb 0.18 -0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 64.00 2gcu n SER 35 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2gcu s HIS 36 N -3.10 3.68 0.54 7.33 5.04 -1.16 -4.98 115.29 122.64 2gcu s HIS 36 Ca 0.09 0.89 0.26 0.00 -1.54 0.00 0.00 55.06 54.76 2gcu s HIS 36 Cb 0.15 -2.22 1.42 0.00 0.04 0.00 0.00 32.58 31.97 2gcu s HIS 36 CO 0.67 0.62 2.00 -1.00 -2.34 0.00 0.00 174.74 174.69 2gcu h PRO 37 N 4.46 0.00 -0.00 2.88 0.13 -1.90 -0.41 132.00 137.16 2gcu h PRO 37 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2gcu h PRO 37 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2gcu h PRO 37 CO 0.62 0.00 -0.55 -0.25 -0.23 0.00 0.00 178.00 177.60 2gcu n ASP 38 N -4.28 0.56 -3.69 1.44 9.92 -1.26 -4.99 116.55 114.25 2gcu n ASP 38 Ca 0.09 -0.34 -0.31 0.00 -0.53 0.00 0.00 54.79 53.70 2gcu n ASP 38 Cb 0.58 0.33 0.04 0.00 -0.64 0.00 0.00 41.12 41.42 2gcu n ASP 38 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2gcu n LYS 39 N -1.48 -1.17 -2.23 -1.24 5.02 -0.16 -3.15 118.16 113.74 2gcu n LYS 39 Ca 0.05 0.47 -0.39 0.00 -2.02 0.00 0.00 58.31 56.43 2gcu n LYS 39 Cb 0.33 -4.03 -0.02 0.00 -0.02 0.00 0.00 35.03 31.30 2gcu n LYS 39 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2gcu s PRO 40 N -5.93 4.05 0.10 1.97 0.04 -1.24 -0.58 135.00 133.41 2gcu s PRO 40 Ca 0.45 1.93 0.01 0.00 0.04 0.00 0.00 61.00 63.43 2gcu s PRO 40 Cb -0.17 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 2gcu s PRO 40 CO 0.86 -0.35 -0.04 0.00 0.04 0.00 0.00 177.00 177.52 2gcu s ALA 41 N -1.36 0.95 0.07 8.56 0.00 0.91 -1.49 121.76 129.39 2gcu s ALA 41 Ca 0.56 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 51.16 2gcu s ALA 41 Cb -0.33 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 2gcu s ALA 41 CO 0.42 -0.29 -0.05 -0.48 0.00 0.00 0.00 175.76 175.36 2gcu s LEU 42 N -3.04 2.46 -0.04 0.00 0.05 0.39 -0.92 118.68 117.58 2gcu s LEU 42 Ca 0.14 -0.93 0.03 0.00 0.05 0.00 0.00 54.13 53.41 2gcu s LEU 42 Cb 0.06 0.04 -0.03 0.00 -2.05 0.00 0.00 46.19 44.21 2gcu s LEU 42 CO -0.04 -0.49 -0.10 -0.76 -0.55 0.00 0.00 176.35 174.41 2gcu s LEU 43 N -2.76 2.97 -0.17 1.48 1.43 -0.63 -1.64 118.68 119.36 2gcu s LEU 43 Ca 0.06 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 2gcu s LEU 43 Cb 0.04 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 2gcu s LEU 43 CO -0.06 0.33 -0.08 -0.63 0.23 0.00 0.00 176.35 176.13 2gcu s ILE 44 N -0.84 3.24 -1.18 -0.59 1.01 0.39 -0.24 121.20 123.00 2gcu s ILE 44 Ca 0.13 -0.57 -0.00 0.00 0.00 0.00 0.00 60.65 60.22 2gcu s ILE 44 Cb -0.11 -2.42 -0.00 0.00 0.01 0.00 0.00 42.46 39.94 2gcu s ILE 44 CO 0.03 0.48 0.98 0.47 0.00 0.00 0.00 174.94 176.90 2gcu n ASP 45 N 4.12 -2.08 -4.78 3.58 8.00 0.12 -1.52 116.55 123.99 2gcu n ASP 45 Ca -0.18 -0.61 -0.37 0.00 0.71 0.00 0.00 54.79 54.34 2gcu n ASP 45 Cb 0.52 -5.05 -0.03 0.00 -0.02 0.00 0.00 41.12 36.54 2gcu n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2gcu s PRO 46 N -5.33 3.95 -0.03 -0.24 0.04 -1.26 -4.19 135.00 127.94 2gcu s PRO 46 Ca 0.00 1.62 0.02 0.00 0.04 0.00 0.00 61.00 62.68 2gcu s PRO 46 Cb -0.00 -2.44 -0.03 0.00 0.04 0.00 0.00 34.50 32.06 2gcu s PRO 46 CO 0.72 -0.35 -0.06 0.08 0.04 0.00 0.00 177.00 177.42 2gcu s VAL 47 N -1.63 3.70 0.24 -0.36 1.01 -1.26 -0.80 120.40 121.29 2gcu s VAL 47 Ca 0.61 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 2gcu s VAL 47 Cb -0.24 -2.56 0.21 0.00 0.00 0.00 0.00 36.38 33.78 2gcu s VAL 47 CO 0.30 0.50 1.71 -2.24 0.00 0.00 0.00 175.10 175.36 2gcu h ASP 48 N 4.88 0.12 -0.05 3.32 2.03 -1.24 -2.06 116.42 123.41 2gcu h ASP 48 Ca -0.49 0.12 0.01 0.00 -0.73 0.00 0.00 57.03 55.95 2gcu h ASP 48 Cb 1.17 0.14 -0.00 0.00 -0.83 0.00 0.00 39.33 39.81 2gcu h ASP 48 CO 0.53 0.03 0.04 0.11 -1.03 0.00 0.00 179.24 178.93 2gcu h LYS 49 N 0.34 0.00 -0.33 4.15 1.57 -1.93 -2.24 116.57 118.12 2gcu h LYS 49 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2gcu h LYS 49 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2gcu h LYS 49 CO -0.44 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 178.69 2gcu n THR 50 N -4.25 1.47 -0.19 -0.16 -2.24 -0.80 -4.64 114.28 103.47 2gcu n THR 50 Ca -0.02 -1.30 -0.01 0.00 -2.27 0.00 0.00 64.05 60.45 2gcu n THR 50 Cb 0.14 0.23 0.09 0.00 -2.10 0.00 0.00 70.33 68.70 2gcu n THR 50 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2gcu h VAL 51 N 2.03 0.75 -0.75 2.28 2.07 -1.13 -0.91 116.25 120.58 2gcu h VAL 51 Ca 0.00 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 2gcu h VAL 51 Cb 1.00 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2gcu h VAL 51 CO 0.08 0.06 0.29 0.44 0.02 0.00 0.00 177.57 178.46 2gcu h ASP 52 N 0.34 1.04 -0.18 0.57 3.32 -1.82 0.28 116.42 119.97 2gcu h ASP 52 Ca 0.29 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.18 2gcu h ASP 52 Cb 0.37 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 2gcu h ASP 52 CO -0.32 0.94 0.01 -0.09 -1.72 0.00 0.00 179.24 178.07 2gcu h ARG 53 N 1.08 0.07 -0.39 3.56 2.43 -1.81 -0.45 114.38 118.89 2gcu h ARG 53 Ca 0.25 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.39 2gcu h ARG 53 Cb 0.23 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2gcu h ARG 53 CO -0.02 0.05 0.14 -0.44 -1.51 0.00 0.00 179.97 178.19 2gcu h ASP 54 N 0.08 0.54 -0.54 -3.80 3.32 -0.74 -0.87 116.42 114.41 2gcu h ASP 54 Ca 0.08 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 2gcu h ASP 54 Cb 0.09 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2gcu h ASP 54 CO -0.13 0.58 0.08 -0.07 -1.72 0.00 0.00 179.24 177.98 2gcu h LEU 55 N 0.48 0.89 -0.62 1.55 3.38 -0.88 -0.45 115.31 119.66 2gcu h LEU 55 Ca 0.13 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2gcu h LEU 55 Cb 0.21 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2gcu h LEU 55 CO -0.01 0.90 0.14 0.50 0.09 0.00 0.00 178.44 180.07 2gcu h LYS 56 N 0.88 0.99 -0.34 1.13 3.64 -0.71 -0.85 116.57 121.32 2gcu h LYS 56 Ca 0.18 -0.24 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 2gcu h LYS 56 Cb 0.40 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2gcu h LYS 56 CO 0.01 0.91 0.05 1.25 -2.27 0.00 0.00 179.45 179.40 2gcu h LEU 57 N 0.91 0.54 -0.98 5.20 5.85 -0.88 -0.59 115.31 125.34 2gcu h LEU 57 Ca 0.19 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.70 2gcu h LEU 57 Cb 0.37 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 2gcu h LEU 57 CO 0.00 0.66 0.64 0.40 -0.34 0.00 0.00 178.44 179.80 2gcu h ILE 58 N 0.39 1.13 -0.27 4.05 2.04 -0.89 -1.54 117.51 122.43 2gcu h ILE 58 Ca 0.10 -0.41 -0.09 0.00 1.00 0.00 0.00 64.86 65.46 2gcu h ILE 58 Cb 0.35 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 2gcu h ILE 58 CO 0.01 0.22 -0.17 -0.78 0.00 0.00 0.00 178.15 177.42 2gcu h ASP 59 N 1.20 0.62 -0.51 1.72 3.58 -0.95 -0.51 116.42 121.57 2gcu h ASP 59 Ca 0.41 -0.43 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 2gcu h ASP 59 Cb 0.08 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 2gcu h ASP 59 CO -0.15 0.92 0.28 -0.33 -2.88 0.00 0.00 179.24 177.08 2gcu h GLU 60 N 0.32 0.73 -0.01 0.28 5.08 -0.69 -1.81 114.58 118.48 2gcu h GLU 60 Ca 0.05 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2gcu h GLU 60 Cb 0.70 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2gcu h GLU 60 CO 0.05 0.54 -0.14 1.28 -1.00 0.00 0.00 179.01 179.74 2gcu n LEU 61 N -4.40 1.21 -1.63 1.33 4.77 -0.62 -4.94 117.00 112.72 2gcu n LEU 61 Ca 0.05 -0.35 -0.12 0.00 -0.03 0.00 0.00 56.01 55.55 2gcu n LEU 61 Cb 0.10 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 2gcu n LEU 61 CO 0.37 0.21 -0.06 0.61 -1.33 0.00 0.00 177.39 177.19 2gcu n GLY 62 N 1.27 -0.04 3.88 -0.72 0.00 -0.49 -5.00 105.19 104.08 2gcu n GLY 62 Ca 0.15 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2gcu n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gcu s LEU 63 N -3.76 3.87 -0.44 0.99 1.43 -0.32 -4.74 118.68 115.71 2gcu s LEU 63 Ca 0.11 1.07 -0.09 0.00 -1.03 0.00 0.00 54.13 54.18 2gcu s LEU 63 Cb -0.05 -3.94 0.10 0.00 0.03 0.00 0.00 46.19 42.33 2gcu s LEU 63 CO 0.13 -0.36 0.30 -0.75 0.23 0.00 0.00 176.35 175.90 2gcu s LYS 64 N -3.79 2.56 -0.29 1.70 2.20 0.26 -4.76 119.74 117.62 2gcu s LYS 64 Ca 0.50 -1.58 -0.29 0.00 -0.36 0.00 0.00 55.97 54.24 2gcu s LYS 64 Cb -0.10 -3.85 -0.00 0.00 -1.51 0.00 0.00 37.83 32.37 2gcu s LYS 64 CO 0.31 -1.06 1.34 -1.17 -0.36 0.00 0.00 175.35 174.42 2gcu s LEU 65 N 1.40 3.89 -0.23 5.43 2.96 -1.26 -0.06 118.68 130.80 2gcu s LEU 65 Ca 0.04 1.27 -0.15 0.00 -0.22 0.00 0.00 54.13 55.07 2gcu s LEU 65 Cb -0.24 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.74 2gcu s LEU 65 CO 0.01 -1.10 -0.03 -0.38 -1.32 0.00 0.00 176.35 173.53 2gcu n ILE 66 N 6.22 1.55 -4.31 6.68 2.08 -0.09 -4.34 119.36 127.16 2gcu n ILE 66 Ca 0.15 -0.27 -0.19 0.00 0.56 0.00 0.00 62.75 63.00 2gcu n ILE 66 Cb 0.46 -1.90 -0.13 0.00 -0.75 0.00 0.00 39.64 37.32 2gcu n ILE 66 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 2gcu s TYR 67 N -2.45 1.12 -0.21 1.39 2.02 -1.22 -1.64 117.35 116.36 2gcu s TYR 67 Ca -0.33 -0.36 0.01 0.00 -0.37 0.00 0.00 57.07 56.03 2gcu s TYR 67 Cb 0.10 -0.67 0.05 0.00 -0.40 0.00 0.00 41.96 41.04 2gcu s TYR 67 CO 0.57 0.02 -0.10 0.00 -1.57 0.00 0.00 175.55 174.47 2gcu s ALA 68 N -0.87 2.09 0.15 3.71 0.00 -0.28 -1.60 121.76 124.95 2gcu s ALA 68 Ca 0.00 -1.31 0.11 0.00 0.00 0.00 0.00 51.96 50.76 2gcu s ALA 68 Cb -0.08 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 2gcu s ALA 68 CO 0.01 -0.91 -0.24 -1.64 0.00 0.00 0.00 175.76 172.98 2gcu s MET 69 N 1.35 1.50 -0.01 0.00 1.00 0.67 -1.12 119.30 122.69 2gcu s MET 69 Ca -0.03 -1.37 0.07 0.00 0.00 0.00 0.00 55.69 54.36 2gcu s MET 69 Cb -0.17 -1.92 -0.02 0.00 0.00 0.00 0.00 34.83 32.72 2gcu s MET 69 CO -0.08 0.44 -0.23 -0.80 0.00 0.00 0.00 175.02 174.35 2gcu s ASN 70 N -2.26 3.30 0.36 3.03 -0.87 -0.51 0.12 114.94 118.11 2gcu s ASN 70 Ca 0.17 -0.44 0.14 0.00 -1.57 0.00 0.00 52.86 51.16 2gcu s ASN 70 Cb -0.09 -0.44 0.67 0.00 -0.02 0.00 0.00 41.25 41.36 2gcu s ASN 70 CO 0.08 0.31 1.78 0.71 -2.57 0.00 0.00 177.10 177.41 2gcu h THR 71 N 4.38 1.23 -2.43 1.60 1.35 -1.89 -3.42 112.91 113.73 2gcu h THR 71 Ca -0.45 -1.47 0.17 0.00 -0.55 0.00 0.00 66.41 64.11 2gcu h THR 71 Cb 1.13 1.81 -0.05 0.00 -1.73 0.00 0.00 68.15 69.31 2gcu h THR 71 CO 0.47 0.41 0.54 -1.38 -0.25 0.00 0.00 175.52 175.32 2gcu s HIS 72 N -3.98 -0.01 -0.24 4.73 0.00 -1.26 -1.19 115.29 113.33 2gcu s HIS 72 Ca -0.02 -0.35 -0.29 0.00 -3.00 0.00 0.00 55.06 51.40 2gcu s HIS 72 Cb 0.14 0.68 -0.01 0.00 -4.00 0.00 0.00 32.58 29.38 2gcu s HIS 72 CO 0.72 -0.89 1.45 0.08 -1.00 0.00 0.00 174.74 175.10 2gcu s VAL 73 N -2.62 3.94 0.27 -5.38 1.01 -1.26 -5.00 120.40 111.35 2gcu s VAL 73 Ca 0.18 1.07 -0.26 0.00 0.00 0.00 0.00 61.98 62.97 2gcu s VAL 73 Cb -0.02 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.35 2gcu s VAL 73 CO 0.04 -0.35 0.88 -1.00 0.00 0.00 0.00 175.10 174.68 2gcu s HIS 74 N 4.62 3.78 -1.37 5.22 3.76 -1.26 -4.97 115.29 125.06 2gcu s HIS 74 Ca 0.63 1.72 0.21 0.00 -0.15 0.00 0.00 55.06 57.48 2gcu s HIS 74 Cb -0.21 -2.86 -0.15 0.00 1.11 0.00 0.00 32.58 30.47 2gcu s HIS 74 CO 0.25 0.32 0.96 0.00 -0.85 0.00 0.00 174.74 175.43 2gcu n ALA 75 N 0.92 4.29 0.07 -1.40 0.00 -1.26 -3.91 120.51 119.22 2gcu n ALA 75 Ca -0.01 -0.61 0.01 0.00 0.00 0.00 0.00 53.44 52.83 2gcu n ALA 75 Cb 0.49 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 2gcu n ALA 75 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2gcu n ASP 76 N -0.94 1.48 -3.81 0.00 5.75 -1.26 -2.70 116.55 115.07 2gcu n ASP 76 Ca 0.06 -0.38 -0.09 0.00 -0.01 0.00 0.00 54.79 54.37 2gcu n ASP 76 Cb 0.38 1.03 -0.04 0.00 -1.03 0.00 0.00 41.12 41.45 2gcu n ASP 76 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2gcu s HIS 77 N -1.49 0.02 -0.17 2.11 -3.43 -1.26 -4.79 115.29 106.28 2gcu s HIS 77 Ca 0.00 -0.38 -0.15 0.00 -0.80 0.00 0.00 55.06 53.74 2gcu s HIS 77 Cb 0.01 0.30 -0.04 0.00 -1.43 0.00 0.00 32.58 31.42 2gcu s HIS 77 CO 0.09 -0.90 0.35 0.08 -2.00 0.00 0.00 174.74 172.35 2gcu s VAL 78 N -3.91 5.26 0.35 -5.38 1.01 -1.26 -4.74 120.40 111.73 2gcu s VAL 78 Ca 0.12 0.64 -0.27 0.00 0.00 0.00 0.00 61.98 62.47 2gcu s VAL 78 Cb -0.00 -3.68 -0.12 0.00 0.00 0.00 0.00 36.38 32.57 2gcu s VAL 78 CO -0.01 0.34 1.15 1.07 0.00 0.00 0.00 175.10 177.65 2gcu n THR 79 N 3.86 2.16 1.41 3.92 5.66 -1.26 -1.11 114.28 128.92 2gcu n THR 79 Ca -0.10 -0.50 0.14 0.00 -3.05 0.00 0.00 64.05 60.54 2gcu n THR 79 Cb 0.52 -1.33 0.56 0.00 -1.55 0.00 0.00 70.33 68.52 2gcu n THR 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2gcu n GLY 80 N 0.98 -0.74 0.29 1.09 0.00 0.02 -3.94 105.19 102.90 2gcu n GLY 80 Ca 0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 2gcu n GLY 80 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2gcu h THR 81 N 0.93 1.17 -0.06 2.61 1.35 -1.91 -0.49 112.91 116.51 2gcu h THR 81 Ca 0.00 -0.35 -0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2gcu h THR 81 Cb 0.40 0.08 -0.00 0.00 -1.73 0.00 0.00 68.15 66.89 2gcu h THR 81 CO 0.00 0.18 0.03 1.23 -0.25 0.00 0.00 175.52 176.71 2gcu h GLY 82 N 1.01 0.10 1.01 5.82 0.00 -1.82 -1.43 103.07 107.76 2gcu h GLY 82 Ca 0.29 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 2gcu h GLY 82 CO -0.07 0.05 0.43 1.41 0.00 0.00 0.00 176.54 178.36 2gcu h LEU 83 N -0.04 0.89 -1.27 3.11 3.38 -1.71 -0.30 115.31 119.37 2gcu h LEU 83 Ca 0.02 -0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.04 2gcu h LEU 83 Cb 0.14 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 2gcu h LEU 83 CO -0.00 0.70 0.56 -0.07 0.09 0.00 0.00 178.44 179.72 2gcu h LEU 84 N 1.01 0.70 -0.34 1.67 3.38 -0.89 -1.30 115.31 119.54 2gcu h LEU 84 Ca 0.26 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 2gcu h LEU 84 Cb -0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2gcu h LEU 84 CO -0.05 0.39 -0.25 0.11 0.09 0.00 0.00 178.44 178.73 2gcu h LYS 85 N 0.76 0.77 0.00 1.13 1.57 -0.13 0.71 116.57 121.39 2gcu h LYS 85 Ca 0.42 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2gcu h LYS 85 Cb 0.56 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2gcu h LYS 85 CO -0.19 1.00 0.00 1.15 -0.57 0.00 0.00 179.45 180.84 2gcu h THR 86 N 0.55 0.00 0.00 -0.16 2.02 0.00 -3.32 112.91 112.00 2gcu h THR 86 Ca 0.06 -0.03 -0.10 0.00 0.77 0.00 0.00 66.41 67.11 2gcu h THR 86 Cb 0.81 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 2gcu h THR 86 CO 0.07 0.00 -1.37 0.29 0.37 0.00 0.00 175.52 174.87 2gcu n LYS 87 N -2.89 2.67 -3.93 6.66 5.02 -0.74 -4.79 118.16 120.17 2gcu n LYS 87 Ca -0.02 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.97 2gcu n LYS 87 Cb 0.08 -1.14 -0.14 0.00 -0.02 0.00 0.00 35.03 33.81 2gcu n LYS 87 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gcu s LEU 88 N -4.55 4.28 0.15 -0.35 1.43 0.22 -5.09 118.68 114.77 2gcu s LEU 88 Ca -0.04 -3.09 -0.34 0.00 -1.03 0.00 0.00 54.13 49.63 2gcu s LEU 88 Cb 0.02 -1.61 -0.15 0.00 0.03 0.00 0.00 46.19 44.48 2gcu s LEU 88 CO 0.21 -0.22 1.37 -2.65 0.23 0.00 0.00 176.35 175.30 2gcu n PRO 89 N 3.00 1.58 0.00 1.29 -0.02 -1.25 -1.98 135.00 137.61 2gcu n PRO 89 Ca 0.07 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2gcu n PRO 89 Cb 0.32 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2gcu n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gcu n GLY 90 N 2.57 1.67 3.77 -1.23 0.00 -1.26 -5.07 105.19 105.63 2gcu n GLY 90 Ca 0.16 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2gcu n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gcu s VAL 91 N -1.80 2.48 -0.07 1.61 1.01 -0.84 -4.94 120.40 117.86 2gcu s VAL 91 Ca 0.00 0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.48 2gcu s VAL 91 Cb 0.00 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 2gcu s VAL 91 CO 0.00 0.11 -0.12 -0.54 0.00 0.00 0.00 175.10 174.55 2gcu s LYS 92 N -1.77 2.73 0.38 2.72 1.02 -0.65 -4.83 119.74 119.33 2gcu s LYS 92 Ca 0.51 -0.65 -0.22 0.00 0.02 0.00 0.00 55.97 55.63 2gcu s LYS 92 Cb -0.42 -2.49 -0.10 0.00 -0.52 0.00 0.00 37.83 34.30 2gcu s LYS 92 CO 0.56 0.57 0.92 -1.54 -0.92 0.00 0.00 175.35 174.93 2gcu s SER 93 N -0.57 7.08 -0.01 2.83 1.04 -1.26 -1.13 113.70 121.68 2gcu s SER 93 Ca 0.08 1.70 0.00 0.00 0.48 0.00 0.00 55.95 58.22 2gcu s SER 93 Cb -0.12 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.48 2gcu s SER 93 CO 0.02 -0.23 -0.01 -0.69 0.98 0.00 0.00 173.24 173.31 2gcu s VAL 94 N -1.94 0.14 0.20 5.02 1.01 -0.28 -1.30 120.40 123.26 2gcu s VAL 94 Ca 0.56 0.01 -0.18 0.00 0.00 0.00 0.00 61.98 62.37 2gcu s VAL 94 Cb -0.13 -0.18 0.03 0.00 0.00 0.00 0.00 36.38 36.10 2gcu s VAL 94 CO 0.17 0.08 0.54 -0.51 0.00 0.00 0.00 175.10 175.39 2gcu s ILE 95 N 0.44 0.02 0.49 2.22 2.07 -0.81 -1.42 121.20 124.21 2gcu s ILE 95 Ca -0.04 -0.78 -0.22 0.00 -1.41 0.00 0.00 60.65 58.20 2gcu s ILE 95 Cb -0.07 -1.60 -0.07 0.00 0.13 0.00 0.00 42.46 40.85 2gcu s ILE 95 CO -0.01 -0.09 1.20 -0.94 -1.91 0.00 0.00 174.94 173.19 2gcu s SER 96 N -2.88 5.92 0.37 4.50 1.04 -1.26 -1.23 113.70 120.16 2gcu s SER 96 Ca 0.09 2.39 0.04 0.00 0.48 0.00 0.00 55.95 58.95 2gcu s SER 96 Cb -0.01 -2.61 0.71 0.00 0.10 0.00 0.00 66.02 64.21 2gcu s SER 96 CO -0.02 -1.09 2.02 0.50 0.98 0.00 0.00 173.24 175.62 2gcu h LYS 97 N 1.82 0.75 0.00 4.02 1.63 -1.35 -2.84 116.57 120.59 2gcu h LYS 97 Ca -0.50 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.24 2gcu h LYS 97 Cb 1.26 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 32.72 2gcu h LYS 97 CO 0.59 0.49 -0.08 0.00 -3.45 0.00 0.00 179.45 177.00 2gcu h ALA 98 N 1.64 1.07 0.00 5.00 0.00 -1.89 -2.63 119.26 122.46 2gcu h ALA 98 Ca 0.22 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2gcu h ALA 98 Cb -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2gcu h ALA 98 CO -0.05 0.10 -0.14 0.66 0.00 0.00 0.00 179.25 179.82 2gcu h SER 99 N 0.00 0.00 0.00 0.00 4.64 -1.72 -3.36 113.55 113.11 2gcu h SER 99 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gcu h SER 99 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2gcu h SER 99 CO 0.01 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 2gcu n GLY 100 N -0.51 0.63 3.94 -0.77 0.00 -0.99 -4.81 105.19 102.68 2gcu n GLY 100 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 2gcu n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gcu s SER 101 N -2.48 5.73 0.22 1.61 1.04 -1.26 -5.05 113.70 113.50 2gcu s SER 101 Ca 0.00 0.41 -0.27 0.00 0.48 0.00 0.00 55.95 56.57 2gcu s SER 101 Cb 0.00 -1.55 -0.09 0.00 0.10 0.00 0.00 66.02 64.48 2gcu s SER 101 CO 0.00 -0.84 0.86 -0.54 0.98 0.00 0.00 173.24 173.70 2gcu s LYS 102 N -4.70 4.67 0.16 4.02 1.02 -0.69 -4.99 119.74 119.22 2gcu s LYS 102 Ca 0.51 1.30 -0.24 0.00 0.02 0.00 0.00 55.97 57.55 2gcu s LYS 102 Cb -0.10 -3.20 0.06 0.00 -0.52 0.00 0.00 37.83 34.07 2gcu s LYS 102 CO 0.40 0.51 0.83 0.00 -0.92 0.00 0.00 175.35 176.18 2gcu s ALA 103 N -1.23 -1.56 0.28 5.17 0.00 -1.26 -4.79 121.76 118.37 2gcu s ALA 103 Ca 0.40 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.60 2gcu s ALA 103 Cb -0.23 0.69 0.40 0.00 0.00 0.00 0.00 23.12 23.98 2gcu s ALA 103 CO 0.28 -0.95 1.70 -0.44 0.00 0.00 0.00 175.76 176.35 2gcu h ASP 104 N 2.00 0.42 -3.56 0.00 3.32 -1.81 -3.44 116.42 113.35 2gcu h ASP 104 Ca -0.24 -0.16 -0.38 0.00 0.02 0.00 0.00 57.03 56.28 2gcu h ASP 104 Cb 1.25 -0.12 -0.33 0.00 0.22 0.00 0.00 39.33 40.35 2gcu h ASP 104 CO 0.27 0.73 -0.76 -0.76 -1.72 0.00 0.00 179.24 177.00 2gcu s LEU 105 N -8.50 1.42 0.00 1.55 1.43 -0.42 -4.97 118.68 109.18 2gcu s LEU 105 Ca -0.06 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 2gcu s LEU 105 Cb 0.13 -0.35 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 2gcu s LEU 105 CO 0.79 -0.04 -0.01 -0.36 0.23 0.00 0.00 176.35 176.96 2gcu s PHE 106 N 0.74 3.05 -0.03 0.29 0.08 -1.26 -1.93 117.98 118.92 2gcu s PHE 106 Ca -0.09 0.06 0.02 0.00 0.12 0.00 0.00 56.93 57.05 2gcu s PHE 106 Cb -0.12 -1.66 -0.03 0.00 -0.57 0.00 0.00 43.02 40.64 2gcu s PHE 106 CO -0.00 0.45 -0.08 -0.51 -0.10 0.00 0.00 175.22 174.98 2gcu s LEU 107 N -1.57 3.10 0.20 -0.37 1.43 -0.37 -4.77 118.68 116.32 2gcu s LEU 107 Ca 0.19 -0.11 0.08 0.00 -1.03 0.00 0.00 54.13 53.26 2gcu s LEU 107 Cb -0.11 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 2gcu s LEU 107 CO 0.10 0.32 0.01 -1.61 0.23 0.00 0.00 176.35 175.41 2gcu s GLU 108 N -1.07 2.42 0.33 1.70 0.41 -1.26 -0.96 118.70 120.26 2gcu s GLU 108 Ca 0.14 -1.16 -0.29 0.00 -0.41 0.00 0.00 54.97 53.26 2gcu s GLU 108 Cb -0.11 -2.34 -0.12 0.00 -1.78 0.00 0.00 34.13 29.78 2gcu s GLU 108 CO 0.04 0.43 1.37 -0.35 -0.49 0.00 0.00 175.26 176.26 2gcu n PRO 109 N -0.34 2.26 0.00 0.39 -0.04 -1.26 -1.71 135.00 134.31 2gcu n PRO 109 Ca -0.09 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 2gcu n PRO 109 Cb 0.56 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 2gcu n PRO 109 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gcu n GLY 110 N 1.01 1.78 3.72 0.55 0.00 -0.02 -5.02 105.19 107.22 2gcu n GLY 110 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2gcu n GLY 110 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gcu s ASP 111 N -2.72 3.92 0.02 1.61 1.01 -0.69 -4.74 116.67 115.08 2gcu s ASP 111 Ca 0.00 2.21 0.07 0.00 0.71 0.00 0.00 52.55 55.54 2gcu s ASP 111 Cb 0.00 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 2gcu s ASP 111 CO 0.00 -2.44 -0.22 -0.54 0.21 0.00 0.00 175.17 172.18 2gcu s LYS 112 N -4.28 1.56 -0.13 8.23 1.02 -1.26 -1.25 119.74 123.64 2gcu s LYS 112 Ca 0.70 -0.89 0.01 0.00 0.02 0.00 0.00 55.97 55.81 2gcu s LYS 112 Cb -0.25 -1.62 -0.01 0.00 -0.52 0.00 0.00 37.83 35.43 2gcu s LYS 112 CO 0.50 0.43 -0.17 0.08 -0.92 0.00 0.00 175.35 175.27 2gcu s VAL 113 N -0.69 2.65 -0.07 3.17 1.01 0.30 -4.95 120.40 121.82 2gcu s VAL 113 Ca 0.08 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.27 2gcu s VAL 113 Cb -0.09 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 2gcu s VAL 113 CO 0.01 0.53 -0.10 -0.44 0.00 0.00 0.00 175.10 175.10 2gcu s SER 114 N 0.44 4.33 -0.27 3.32 0.01 -1.26 -0.63 113.70 119.64 2gcu s SER 114 Ca -0.12 -0.14 -0.01 0.00 1.31 0.00 0.00 55.95 56.99 2gcu s SER 114 Cb -0.16 -1.14 0.08 0.00 0.21 0.00 0.00 66.02 65.01 2gcu s SER 114 CO 0.06 0.32 0.05 0.27 0.41 0.00 0.00 173.24 174.35 2gcu s ILE 115 N -0.55 1.02 0.00 1.44 -4.36 0.10 -5.02 121.20 113.83 2gcu s ILE 115 Ca 0.08 -1.25 0.00 0.00 -0.26 0.00 0.00 60.65 59.22 2gcu s ILE 115 Cb -0.12 -1.63 0.00 0.00 1.25 0.00 0.00 42.46 41.97 2gcu s ILE 115 CO 0.02 -0.46 0.00 0.61 0.24 0.00 0.00 174.94 175.34 2gcu n GLY 116 N 4.82 3.38 0.11 6.27 0.00 -1.26 -1.19 105.19 117.33 2gcu n GLY 116 Ca -0.05 0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.15 2gcu n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gcu n ASP 117 N 4.70 0.50 -4.81 1.61 8.00 -1.26 -4.83 116.55 120.45 2gcu n ASP 117 Ca 0.00 -0.52 -0.38 0.00 0.71 0.00 0.00 54.79 54.60 2gcu n ASP 117 Cb 0.00 -0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 40.98 2gcu n ASP 117 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2gcu s ILE 118 N -2.54 4.94 0.12 0.53 1.01 -0.33 -4.89 121.20 120.04 2gcu s ILE 118 Ca 0.26 0.99 0.03 0.00 0.00 0.00 0.00 60.65 61.94 2gcu s ILE 118 Cb 0.20 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 2gcu s ILE 118 CO 0.50 0.54 -0.09 -0.72 0.00 0.00 0.00 174.94 175.17 2gcu s TYR 119 N -0.89 1.09 -0.07 3.97 -0.85 -1.26 -0.72 117.35 118.62 2gcu s TYR 119 Ca 0.26 -0.77 0.05 0.00 -0.52 0.00 0.00 57.07 56.09 2gcu s TYR 119 Cb -0.17 -0.59 -0.01 0.00 0.38 0.00 0.00 41.96 41.57 2gcu s TYR 119 CO 0.15 -0.01 -0.24 -0.51 -1.52 0.00 0.00 175.55 173.42 2gcu s LEU 120 N -2.90 2.14 0.13 -3.49 1.43 0.20 -0.85 118.68 115.35 2gcu s LEU 120 Ca 0.12 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.56 2gcu s LEU 120 Cb 0.02 -1.40 -0.07 0.00 0.03 0.00 0.00 46.19 44.76 2gcu s LEU 120 CO -0.01 0.23 0.56 -1.61 0.23 0.00 0.00 176.35 175.75 2gcu s GLU 121 N -0.07 4.06 -0.29 1.70 2.02 0.80 -0.54 118.70 126.38 2gcu s GLU 121 Ca -0.06 0.59 -0.09 0.00 0.02 0.00 0.00 54.97 55.43 2gcu s GLU 121 Cb -0.15 -3.02 -0.01 0.00 0.10 0.00 0.00 34.13 31.05 2gcu s GLU 121 CO 0.05 0.52 0.12 0.08 0.02 0.00 0.00 175.26 176.05 2gcu s VAL 122 N -1.36 4.50 -0.13 2.63 1.01 -0.38 -1.05 120.40 125.62 2gcu s VAL 122 Ca 0.35 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 2gcu s VAL 122 Cb -0.16 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 2gcu s VAL 122 CO 0.19 0.16 -0.02 -0.13 0.00 0.00 0.00 175.10 175.30 2gcu s ARG 123 N 1.61 3.41 -0.18 2.72 0.52 -0.39 -0.84 118.95 125.80 2gcu s ARG 123 Ca 0.05 -0.48 -0.29 0.00 -0.52 0.00 0.00 55.73 54.49 2gcu s ARG 123 Cb -0.16 -2.87 -0.00 0.00 0.52 0.00 0.00 34.95 32.43 2gcu s ARG 123 CO 0.05 0.42 1.09 0.00 0.02 0.00 0.00 175.30 176.89 2gcu s ALA 124 N -0.11 3.61 -0.43 2.13 0.00 -1.26 -0.64 121.76 125.07 2gcu s ALA 124 Ca 0.03 0.31 0.10 0.00 0.00 0.00 0.00 51.96 52.40 2gcu s ALA 124 Cb -0.13 -3.54 0.38 0.00 0.00 0.00 0.00 23.12 19.84 2gcu s ALA 124 CO 0.02 -0.97 0.91 0.25 0.00 0.00 0.00 175.76 175.97 2gcu n THR 125 N 5.13 1.43 -1.03 0.00 -2.24 -0.49 -4.90 114.28 112.18 2gcu n THR 125 Ca 0.12 -4.58 -0.31 0.00 -2.27 0.00 0.00 64.05 57.01 2gcu n THR 125 Cb 0.46 -0.54 0.13 0.00 -2.10 0.00 0.00 70.33 68.28 2gcu n THR 125 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2gcu s PRO 126 N -3.07 1.64 0.00 -0.78 0.04 -1.19 -4.61 135.00 127.02 2gcu s PRO 126 Ca 0.41 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2gcu s PRO 126 Cb 0.36 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 33.09 2gcu s PRO 126 CO -0.09 -2.11 0.00 0.41 0.04 0.00 0.00 177.00 175.25 2gcu n GLY 127 N -0.63 2.24 0.10 0.56 0.00 -1.26 -3.43 105.19 102.76 2gcu n GLY 127 Ca 0.10 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 2gcu n GLY 127 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2gcu h HIS 128 N 0.00 0.22 -3.91 1.61 -0.00 -1.82 0.12 115.15 111.37 2gcu h HIS 128 Ca 0.00 -0.01 -0.37 0.00 -0.00 0.00 0.00 60.37 60.00 2gcu h HIS 128 Cb 0.00 -0.07 -0.14 0.00 -0.00 0.00 0.00 27.41 27.20 2gcu h HIS 128 CO 0.00 0.21 -0.59 0.95 -0.00 0.00 0.00 177.93 178.51 2gcu s THR 129 N -5.87 0.41 -0.48 6.26 -4.23 -1.26 -3.84 115.64 106.62 2gcu s THR 129 Ca -0.13 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.64 2gcu s THR 129 Cb 0.07 -2.57 0.29 0.00 1.34 0.00 0.00 72.50 71.64 2gcu s THR 129 CO 0.69 0.00 1.76 0.00 -0.54 0.00 0.00 174.62 176.53 2gcu h ALA 130 N 2.33 1.00 -0.19 3.99 0.00 -1.69 -3.28 119.26 121.41 2gcu h ALA 130 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2gcu h ALA 130 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2gcu h ALA 130 CO 0.56 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.22 2gcu n GLY 131 N 0.59 1.31 3.75 0.00 0.00 -1.26 -4.60 105.19 104.99 2gcu n GLY 131 Ca 0.03 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 2gcu n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gcu s VAL 133 N -0.51 1.47 -0.13 0.00 -7.23 -0.34 -1.39 120.40 112.28 2gcu s VAL 133 Ca 0.54 -2.13 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 2gcu s VAL 133 Cb -0.40 -2.15 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 2gcu s VAL 133 CO 0.47 -0.51 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.70 2gcu s THR 134 N -3.13 2.81 -0.20 5.32 2.01 0.19 -4.54 115.64 118.09 2gcu s THR 134 Ca 0.24 -0.75 -0.13 0.00 0.31 0.00 0.00 61.69 61.36 2gcu s THR 134 Cb 0.02 -2.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.32 2gcu s THR 134 CO 0.07 0.53 0.28 -0.31 -0.69 0.00 0.00 174.62 174.49 2gcu s TYR 135 N 0.41 3.38 -0.09 4.92 2.02 -0.63 -1.27 117.35 126.09 2gcu s TYR 135 Ca -0.12 0.46 0.03 0.00 -0.37 0.00 0.00 57.07 57.07 2gcu s TYR 135 Cb -0.16 -2.37 0.01 0.00 -0.40 0.00 0.00 41.96 39.04 2gcu s TYR 135 CO 0.06 0.10 -0.17 0.08 -1.57 0.00 0.00 175.55 174.04 2gcu s VAL 136 N 0.95 1.57 0.74 0.71 1.01 -0.22 -0.30 120.40 124.86 2gcu s VAL 136 Ca 0.14 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 2gcu s VAL 136 Cb -0.14 -1.40 0.04 0.00 0.00 0.00 0.00 36.38 34.89 2gcu s VAL 136 CO 0.05 0.45 1.24 0.35 0.00 0.00 0.00 175.10 177.19 2gcu n THR 137 N 3.83 3.32 -1.15 3.92 -2.24 -0.45 -0.14 114.28 121.36 2gcu n THR 137 Ca -0.20 -0.34 -0.31 0.00 -2.27 0.00 0.00 64.05 60.93 2gcu n THR 137 Cb 0.52 -1.32 0.11 0.00 -2.10 0.00 0.00 70.33 67.54 2gcu n THR 137 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2gcu s GLY 138 N -1.79 1.67 0.00 3.38 0.00 -0.03 -4.68 107.32 105.88 2gcu s GLY 138 Ca 0.77 0.29 0.24 0.00 0.00 0.00 0.00 44.72 46.02 2gcu s GLY 138 CO 0.46 0.66 1.30 -1.84 0.00 0.00 0.00 173.10 173.68 2gcu n GLU 139 N -3.69 0.50 -0.78 2.90 0.28 -1.26 -4.67 120.64 113.92 2gcu n GLU 139 Ca 0.09 -0.35 -0.33 0.00 -0.16 0.00 0.00 57.16 56.42 2gcu n GLU 139 Cb 0.53 -1.49 0.13 0.00 1.43 0.00 0.00 31.44 32.03 2gcu n GLU 139 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2gcu n GLY 140 N 1.43 -1.90 0.23 -1.84 0.00 -1.26 -4.89 105.19 96.97 2gcu n GLY 140 Ca 0.08 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.38 2gcu n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gcu h ALA 141 N -1.61 1.57 -0.20 4.61 0.00 -2.01 -2.34 119.26 119.28 2gcu h ALA 141 Ca -0.44 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2gcu h ALA 141 Cb 1.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2gcu h ALA 141 CO 0.35 0.32 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 2gcu n ASP 142 N -4.28 1.94 -4.93 0.00 5.75 -1.26 -4.98 116.55 108.80 2gcu n ASP 142 Ca -0.01 -1.76 -0.26 0.00 -0.01 0.00 0.00 54.79 52.75 2gcu n ASP 142 Cb 0.27 -0.13 0.03 0.00 -1.03 0.00 0.00 41.12 40.26 2gcu n ASP 142 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2gcu s GLN 143 N -1.75 2.94 0.26 0.11 -1.52 -0.88 -4.55 119.66 114.27 2gcu s GLN 143 Ca 0.33 -0.12 -0.30 0.00 -1.95 0.00 0.00 55.36 53.32 2gcu s GLN 143 Cb 0.18 -2.33 -0.14 0.00 -0.22 0.00 0.00 33.01 30.50 2gcu s GLN 143 CO 0.27 -0.62 1.15 -2.30 -0.25 0.00 0.00 175.29 173.54 2gcu n PRO 144 N -2.48 1.54 -4.76 2.91 -0.02 -1.26 -5.01 135.00 125.92 2gcu n PRO 144 Ca 0.04 0.54 -0.27 0.00 -2.02 0.00 0.00 63.50 61.80 2gcu n PRO 144 Cb 0.58 -2.02 -0.17 0.00 -0.02 0.00 0.00 33.50 31.87 2gcu n PRO 144 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2gcu s GLN 145 N -1.16 2.04 0.89 -0.52 -1.52 -1.26 -3.72 119.66 114.41 2gcu s GLN 145 Ca 0.63 -0.54 -0.11 0.00 -1.95 0.00 0.00 55.36 53.38 2gcu s GLN 145 Cb -0.70 -1.64 0.13 0.00 -0.22 0.00 0.00 33.01 30.58 2gcu s GLN 145 CO 0.57 0.08 1.09 -1.25 -0.25 0.00 0.00 175.29 175.53 2gcu s PRO 146 N 0.54 1.28 0.81 2.91 0.04 -1.26 -5.12 135.00 134.20 2gcu s PRO 146 Ca -0.15 1.03 -0.11 0.00 0.04 0.00 0.00 61.00 61.80 2gcu s PRO 146 Cb -0.16 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 32.67 2gcu s PRO 146 CO 0.05 -2.28 1.13 1.03 0.04 0.00 0.00 177.00 176.96 2gcu s ARG 147 N -4.84 1.83 -0.07 4.56 0.52 -1.24 -4.84 118.95 114.88 2gcu s ARG 147 Ca 0.64 1.41 0.02 0.00 -0.52 0.00 0.00 55.73 57.28 2gcu s ARG 147 Cb -0.19 -1.83 0.01 0.00 0.52 0.00 0.00 34.95 33.46 2gcu s ARG 147 CO 0.58 -2.00 -0.11 -1.64 0.02 0.00 0.00 175.30 172.14 2gcu s MET 148 N -4.61 1.64 -0.19 3.54 -1.94 -1.26 -0.76 119.30 115.71 2gcu s MET 148 Ca 0.65 -0.38 -0.02 0.00 -1.71 0.00 0.00 55.69 54.23 2gcu s MET 148 Cb -0.21 -1.38 0.00 0.00 2.01 0.00 0.00 34.83 35.25 2gcu s MET 148 CO 0.54 0.00 -0.11 0.00 -0.01 0.00 0.00 175.02 175.44 2gcu s ALA 149 N 0.74 2.62 -0.53 3.03 0.00 0.33 -1.34 121.76 126.61 2gcu s ALA 149 Ca -0.13 -1.15 -0.16 0.00 0.00 0.00 0.00 51.96 50.52 2gcu s ALA 149 Cb -0.16 -1.45 0.11 0.00 0.00 0.00 0.00 23.12 21.63 2gcu s ALA 149 CO 0.03 -0.31 0.50 -0.06 0.00 0.00 0.00 175.76 175.92 2gcu s PHE 150 N 1.26 3.22 -2.47 0.00 0.08 0.59 -0.76 117.98 119.90 2gcu s PHE 150 Ca 0.03 -1.17 0.23 0.00 0.12 0.00 0.00 56.93 56.14 2gcu s PHE 150 Cb -0.14 -3.68 0.56 0.00 -0.57 0.00 0.00 43.02 39.19 2gcu s PHE 150 CO -0.05 -1.00 1.46 0.25 -0.10 0.00 0.00 175.22 175.78 2gcu n THR 151 N 5.27 0.29 -1.85 0.64 -2.24 -0.92 -1.61 114.28 113.86 2gcu n THR 151 Ca -0.13 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 2gcu n THR 151 Cb 0.41 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 2gcu n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gcu n GLY 152 N 1.32 3.00 1.28 3.38 0.00 -1.26 -1.35 105.19 111.56 2gcu n GLY 152 Ca 0.17 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 46.09 2gcu n GLY 152 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gcu n ASP 153 N 2.24 4.08 -0.02 1.61 8.00 -1.26 -0.71 116.55 130.49 2gcu n ASP 153 Ca 0.00 -2.24 -0.15 0.00 0.71 0.00 0.00 54.79 53.11 2gcu n ASP 153 Cb 0.00 -0.48 -0.10 0.00 -0.02 0.00 0.00 41.12 40.52 2gcu n ASP 153 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gcu h ALA 154 N 3.63 0.09 -3.27 2.24 0.00 -1.54 0.11 119.26 120.51 2gcu h ALA 154 Ca 0.00 -0.46 -0.57 0.00 0.00 0.00 0.00 54.91 53.88 2gcu h ALA 154 Cb 1.15 0.01 -0.35 0.00 0.00 0.00 0.00 17.79 18.60 2gcu h ALA 154 CO 0.10 0.16 -0.83 0.08 0.00 0.00 0.00 179.25 178.77 2gcu s VAL 155 N -3.42 1.38 0.36 0.00 1.01 -1.24 -4.21 120.40 114.29 2gcu s VAL 155 Ca -0.15 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.34 2gcu s VAL 155 Cb 0.03 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 2gcu s VAL 155 CO 0.77 0.42 0.32 -0.76 0.00 0.00 0.00 175.10 175.84 2gcu s LEU 156 N 1.06 3.52 -0.29 3.92 1.43 -0.63 -4.64 118.68 123.06 2gcu s LEU 156 Ca -0.06 -0.59 -0.29 0.00 -1.03 0.00 0.00 54.13 52.17 2gcu s LEU 156 Cb -0.15 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.92 2gcu s LEU 156 CO -0.02 -0.45 1.41 -0.63 0.23 0.00 0.00 176.35 176.88 2gcu s ILE 157 N -2.36 3.98 -1.35 -0.59 1.01 -1.26 -2.10 121.20 118.53 2gcu s ILE 157 Ca 0.43 1.09 -0.00 0.00 0.00 0.00 0.00 60.65 62.17 2gcu s ILE 157 Cb -0.05 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.40 2gcu s ILE 157 CO 0.27 -0.45 0.06 0.54 0.00 0.00 0.00 174.94 175.37 2gcu n ARG 158 N 7.50 -1.62 0.00 2.79 5.12 -1.26 -4.92 116.66 124.27 2gcu n ARG 158 Ca 0.16 0.77 0.00 0.00 -1.93 0.00 0.00 57.85 56.85 2gcu n ARG 158 Cb 0.46 -5.16 0.00 0.00 -1.16 0.00 0.00 32.46 26.60 2gcu n ARG 158 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2gcu n GLY 159 N -1.06 1.54 3.68 -0.13 0.00 -0.89 -4.44 105.19 103.90 2gcu n GLY 159 Ca -0.18 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.33 2gcu n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gcu s GLY 161 N -2.82 1.65 0.67 0.00 0.00 0.37 -4.84 107.32 102.35 2gcu s GLY 161 Ca 0.10 -0.04 -0.13 0.00 0.00 0.00 0.00 44.72 44.65 2gcu s GLY 161 CO -0.01 0.32 1.08 1.09 0.00 0.00 0.00 173.10 175.57 2gcu s ARG 162 N -5.10 2.88 -0.02 2.90 1.70 -1.26 -4.84 118.95 115.21 2gcu s ARG 162 Ca 0.59 1.18 0.04 0.00 -0.47 0.00 0.00 55.73 57.07 2gcu s ARG 162 Cb -0.14 -1.97 0.06 0.00 -0.57 0.00 0.00 34.95 32.32 2gcu s ARG 162 CO 0.55 -1.16 0.92 0.25 -1.08 0.00 0.00 175.30 174.77 2gcu n THR 163 N -2.70 0.86 1.26 4.99 -2.24 -1.26 -4.48 114.28 110.72 2gcu n THR 163 Ca 0.09 -0.93 0.13 0.00 -2.27 0.00 0.00 64.05 61.07 2gcu n THR 163 Cb 0.53 0.47 0.39 0.00 -2.10 0.00 0.00 70.33 69.62 2gcu n THR 163 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2gcu n ASP 164 N -0.52 1.09 -4.47 3.42 5.75 -1.26 -3.26 116.55 117.30 2gcu n ASP 164 Ca 0.03 -0.96 -0.25 0.00 -0.01 0.00 0.00 54.79 53.60 2gcu n ASP 164 Cb 0.42 0.13 -0.10 0.00 -1.03 0.00 0.00 41.12 40.54 2gcu n ASP 164 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2gcu s PHE 165 N -2.45 2.04 -1.48 2.11 0.08 -1.26 -4.88 117.98 112.14 2gcu s PHE 165 Ca 0.26 -0.96 -0.05 0.00 0.12 0.00 0.00 56.93 56.30 2gcu s PHE 165 Cb 0.19 -1.41 0.02 0.00 -0.57 0.00 0.00 43.02 41.25 2gcu s PHE 165 CO 0.50 0.08 0.48 1.04 -0.10 0.00 0.00 175.22 177.21 2gcu n GLN 166 N -0.86 -4.03 -1.77 0.44 6.02 -1.26 -1.12 117.38 114.79 2gcu n GLN 166 Ca -0.06 0.79 -0.13 0.00 -0.01 0.00 0.00 57.00 57.59 2gcu n GLN 166 Cb 0.66 -5.58 -0.03 0.00 1.02 0.00 0.00 30.24 26.31 2gcu n GLN 166 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2gcu n GLU 167 N -3.77 -0.97 -1.15 -1.09 4.71 -1.26 -2.89 120.64 114.20 2gcu n GLU 167 Ca -0.10 0.82 -0.29 0.00 -0.01 0.00 0.00 57.16 57.57 2gcu n GLU 167 Cb 0.61 -4.95 0.20 0.00 -1.01 0.00 0.00 31.44 26.29 2gcu n GLU 167 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2gcu s GLY 168 N -2.66 1.57 -0.29 0.62 0.00 -0.27 -4.20 107.32 102.09 2gcu s GLY 168 Ca 0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 44.72 44.02 2gcu s GLY 168 CO 0.00 0.13 0.74 -0.45 0.00 0.00 0.00 173.10 173.53 2gcu s SER 169 N -3.62 -0.95 0.24 1.64 0.15 0.43 -4.80 113.70 106.79 2gcu s SER 169 Ca 0.67 1.37 -0.06 0.00 0.70 0.00 0.00 55.95 58.63 2gcu s SER 169 Cb -0.16 1.88 0.23 0.00 -1.71 0.00 0.00 66.02 66.27 2gcu s SER 169 CO 0.57 -0.20 1.87 0.28 1.20 0.00 0.00 173.24 176.96 2gcu h SER 170 N 7.50 1.12 -0.35 5.45 0.02 -1.82 -0.62 113.55 124.85 2gcu h SER 170 Ca -0.21 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2gcu h SER 170 Cb 1.14 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 2gcu h SER 170 CO 0.12 0.89 0.22 -0.78 -1.14 0.00 0.00 176.83 176.13 2gcu h ASP 171 N 1.26 0.41 -0.39 3.07 1.82 -1.95 -1.21 116.42 119.43 2gcu h ASP 171 Ca 0.32 -0.04 -0.03 0.00 -0.39 0.00 0.00 57.03 56.90 2gcu h ASP 171 Cb 0.01 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 39.90 2gcu h ASP 171 CO -0.05 0.32 0.13 -0.61 -1.61 0.00 0.00 179.24 177.42 2gcu h GLN 172 N 0.46 0.60 -0.32 0.28 4.15 -1.84 -2.17 115.11 116.27 2gcu h GLN 172 Ca 0.13 -0.12 0.04 0.00 0.77 0.00 0.00 58.65 59.46 2gcu h GLN 172 Cb -0.02 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.55 2gcu h GLN 172 CO -0.03 0.60 0.09 1.25 -1.93 0.00 0.00 178.83 178.81 2gcu h LEU 173 N 0.48 0.07 -0.45 -2.39 5.85 -0.91 0.36 115.31 118.32 2gcu h LEU 173 Ca 0.13 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.91 2gcu h LEU 173 Cb 0.24 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2gcu h LEU 173 CO -0.01 0.08 0.26 0.22 -0.34 0.00 0.00 178.44 178.65 2gcu h TYR 174 N 0.22 0.48 -0.61 1.25 3.20 -1.03 -0.96 116.97 119.52 2gcu h TYR 174 Ca 0.15 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 2gcu h TYR 174 Cb 0.14 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 2gcu h TYR 174 CO -0.15 0.28 0.24 0.93 -1.64 0.00 0.00 178.16 177.81 2gcu h GLU 175 N 0.52 0.92 -0.36 1.82 4.39 -1.01 -1.74 114.58 119.12 2gcu h GLU 175 Ca 0.18 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 59.72 2gcu h GLU 175 Cb 0.02 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 2gcu h GLU 175 CO -0.09 0.79 0.23 0.77 -1.16 0.00 0.00 179.01 179.55 2gcu h SER 176 N 0.86 0.38 -0.10 1.42 0.02 -0.44 -0.42 113.55 115.27 2gcu h SER 176 Ca 0.20 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 2gcu h SER 176 Cb 0.21 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 2gcu h SER 176 CO -0.02 0.28 -0.00 0.58 -1.14 0.00 0.00 176.83 176.53 2gcu h VAL 177 N 0.46 1.26 -0.15 2.27 2.07 -1.06 0.97 116.25 122.07 2gcu h VAL 177 Ca 0.14 -0.83 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 2gcu h VAL 177 Cb -0.03 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2gcu h VAL 177 CO -0.05 0.23 -0.29 0.45 0.02 0.00 0.00 177.57 177.94 2gcu h HIS 178 N -0.11 0.31 0.00 1.57 -0.00 -1.24 -0.32 115.15 115.35 2gcu h HIS 178 Ca 0.03 -0.06 -0.25 0.00 -0.00 0.00 0.00 60.37 60.09 2gcu h HIS 178 Cb 0.37 -0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 27.66 2gcu h HIS 178 CO 0.04 0.54 -1.51 0.66 -0.00 0.00 0.00 177.93 177.66 2gcu h SER 179 N 0.24 0.00 0.00 2.45 4.64 -0.99 -3.34 113.55 116.55 2gcu h SER 179 Ca 0.04 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.29 2gcu h SER 179 Cb 0.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 2gcu h SER 179 CO 0.05 0.88 -1.55 0.00 -0.87 0.00 0.00 176.83 175.34 2gcu n GLN 180 N -3.05 1.14 -0.06 4.77 1.13 0.33 -4.53 117.38 117.10 2gcu n GLN 180 Ca -0.12 -0.06 -0.12 0.00 -1.94 0.00 0.00 57.00 54.76 2gcu n GLN 180 Cb 0.98 -1.25 -0.05 0.00 0.11 0.00 0.00 30.24 30.03 2gcu n GLN 180 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 2gcu n ILE 181 N -2.06 0.71 1.65 5.09 5.41 -0.47 -4.56 119.36 125.13 2gcu n ILE 181 Ca -0.07 -0.22 0.14 0.00 1.00 0.00 0.00 62.75 63.60 2gcu n ILE 181 Cb 0.48 -1.37 0.80 0.00 -0.71 0.00 0.00 39.64 38.84 2gcu n ILE 181 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2gcu n PHE 182 N -3.29 0.00 1.14 1.39 3.72 -0.26 -1.74 117.46 118.43 2gcu n PHE 182 Ca -0.24 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.29 2gcu n PHE 182 Cb 0.70 -0.08 0.34 0.00 -0.94 0.00 0.00 39.48 39.50 2gcu n PHE 182 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2gcu n THR 183 N -1.08 0.00 -1.76 4.37 -2.24 -1.25 -4.92 114.28 107.39 2gcu n THR 183 Ca 0.19 -0.07 -0.31 0.00 -2.27 0.00 0.00 64.05 61.60 2gcu n THR 183 Cb 0.13 0.29 0.03 0.00 -2.10 0.00 0.00 70.33 68.68 2gcu n THR 183 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2gcu s LEU 184 N -2.72 3.16 0.48 3.22 1.43 -0.71 -5.00 118.68 118.54 2gcu s LEU 184 Ca 0.19 1.46 -0.23 0.00 -1.03 0.00 0.00 54.13 54.52 2gcu s LEU 184 Cb 0.19 -4.43 -0.08 0.00 0.03 0.00 0.00 46.19 41.89 2gcu s LEU 184 CO 0.59 -1.11 1.17 -2.65 0.23 0.00 0.00 176.35 174.58 2gcu n PRO 185 N -2.91 1.55 0.28 1.29 -0.02 -1.26 -4.86 135.00 129.07 2gcu n PRO 185 Ca 0.07 0.56 0.12 0.00 -2.02 0.00 0.00 63.50 62.23 2gcu n PRO 185 Cb 0.54 -2.30 0.81 0.00 -0.02 0.00 0.00 33.50 32.53 2gcu n PRO 185 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2gcu h LYS 186 N 1.52 0.00 -0.00 -0.52 1.57 -1.94 -1.25 116.57 115.95 2gcu h LYS 186 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2gcu h LYS 186 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2gcu h LYS 186 CO 0.57 0.01 -0.05 -0.40 -0.57 0.00 0.00 179.45 179.01 2gcu n ASP 187 N -4.10 0.52 -4.71 0.86 5.75 -1.26 -0.66 116.55 112.95 2gcu n ASP 187 Ca -0.03 -0.88 -0.43 0.00 -0.01 0.00 0.00 54.79 53.44 2gcu n ASP 187 Cb 0.09 -0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.10 2gcu n ASP 187 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2gcu n THR 188 N -0.75 0.00 -2.60 2.12 -1.04 -0.47 -4.73 114.28 106.81 2gcu n THR 188 Ca 0.18 -0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.80 2gcu n THR 188 Cb 0.24 -1.88 -0.05 0.00 -1.82 0.00 0.00 70.33 66.82 2gcu n THR 188 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2gcu s LEU 189 N 1.12 4.48 -0.23 -4.42 1.43 0.06 -0.94 118.68 120.17 2gcu s LEU 189 Ca 0.76 2.08 -0.05 0.00 -1.03 0.00 0.00 54.13 55.89 2gcu s LEU 189 Cb -0.54 -3.77 -0.02 0.00 0.03 0.00 0.00 46.19 41.89 2gcu s LEU 189 CO 0.33 -0.11 0.00 -0.63 0.23 0.00 0.00 176.35 176.17 2gcu s ILE 190 N -1.32 3.73 -0.36 -0.59 1.01 0.35 -0.51 121.20 123.51 2gcu s ILE 190 Ca 0.47 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.78 2gcu s ILE 190 Cb -0.27 -2.72 0.10 0.00 0.01 0.00 0.00 42.46 39.59 2gcu s ILE 190 CO 0.34 0.39 0.09 -0.31 0.00 0.00 0.00 174.94 175.45 2gcu s TYR 191 N 1.53 3.70 0.73 3.97 2.02 0.06 -1.61 117.35 127.76 2gcu s TYR 191 Ca 0.06 -2.96 -0.09 0.00 -0.37 0.00 0.00 57.07 53.71 2gcu s TYR 191 Cb -0.15 -2.96 0.06 0.00 -0.40 0.00 0.00 41.96 38.52 2gcu s TYR 191 CO -0.01 -0.94 1.07 -1.25 -1.57 0.00 0.00 175.55 172.86 2gcu s PRO 192 N 0.82 2.24 0.39 -1.71 0.04 -1.26 -2.17 135.00 133.34 2gcu s PRO 192 Ca 0.11 -0.03 0.21 0.00 0.04 0.00 0.00 61.00 61.33 2gcu s PRO 192 Cb -0.20 -2.08 0.25 0.00 0.04 0.00 0.00 34.50 32.51 2gcu s PRO 192 CO -0.07 -1.31 1.54 0.00 0.04 0.00 0.00 177.00 177.21 2gcu h ALA 193 N -0.74 0.89 -2.42 8.56 0.00 -1.21 -3.41 119.26 120.93 2gcu h ALA 193 Ca -0.45 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.20 2gcu h ALA 193 Cb 1.31 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.92 2gcu h ALA 193 CO 0.63 0.19 -0.59 -1.01 0.00 0.00 0.00 179.25 178.46 2gcu s HIS 194 N -3.14 0.37 -0.20 0.00 3.76 -1.26 -0.27 115.29 114.55 2gcu s HIS 194 Ca 0.06 -0.83 -0.16 0.00 -0.15 0.00 0.00 55.06 53.99 2gcu s HIS 194 Cb 0.06 -0.26 0.06 0.00 1.11 0.00 0.00 32.58 33.54 2gcu s HIS 194 CO 0.70 -0.39 0.52 0.34 -0.85 0.00 0.00 174.74 175.05 2gcu s ASP 195 N -2.63 -0.59 0.00 1.40 2.15 -1.09 -4.68 116.67 111.22 2gcu s ASP 195 Ca 0.02 1.08 0.07 0.00 0.43 0.00 0.00 52.55 54.15 2gcu s ASP 195 Cb 0.04 1.04 0.13 0.00 -0.30 0.00 0.00 42.92 43.83 2gcu s ASP 195 CO -0.08 -0.19 0.96 -1.22 -0.17 0.00 0.00 175.17 174.46 2gcu n TYR 196 N 3.37 0.15 0.16 -5.34 4.01 -1.26 -4.63 117.16 113.63 2gcu n TYR 196 Ca -0.17 -0.28 0.02 0.00 -0.16 0.00 0.00 57.90 57.31 2gcu n TYR 196 Cb 0.56 -0.02 0.01 0.00 -0.31 0.00 0.00 39.34 39.58 2gcu n TYR 196 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2gcu n LYS 197 N 0.23 0.97 -0.40 -0.72 5.02 -1.26 -4.99 118.16 117.01 2gcu n LYS 197 Ca 0.06 -0.56 0.00 0.00 -2.02 0.00 0.00 58.31 55.78 2gcu n LYS 197 Cb 0.27 -0.98 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 2gcu n LYS 197 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gcu n GLY 198 N 0.41 0.79 3.93 0.72 0.00 -1.26 -5.08 105.19 104.71 2gcu n GLY 198 Ca 0.02 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 2gcu n GLY 198 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gcu s PHE 199 N -2.00 3.48 0.00 1.61 0.08 -1.26 -5.04 117.98 114.86 2gcu s PHE 199 Ca 0.00 0.35 0.00 0.00 0.12 0.00 0.00 56.93 57.40 2gcu s PHE 199 Cb 0.00 -1.87 0.00 0.00 -0.57 0.00 0.00 43.02 40.58 2gcu s PHE 199 CO 0.00 0.27 0.00 0.39 -0.10 0.00 0.00 175.22 175.78 2gcu n GLU 200 N -1.17 2.49 -3.72 0.44 1.02 -1.26 -4.79 120.64 113.65 2gcu n GLU 200 Ca -0.05 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.97 2gcu n GLU 200 Cb 0.55 -0.83 -0.07 0.00 -0.02 0.00 0.00 31.44 31.07 2gcu n GLU 200 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2gcu s VAL 201 N -1.57 0.07 0.00 2.62 0.11 -1.26 -4.71 120.40 115.66 2gcu s VAL 201 Ca 0.00 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.48 2gcu s VAL 201 Cb 0.00 -0.91 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 2gcu s VAL 201 CO 0.00 -0.32 0.00 -0.24 -3.33 0.00 0.00 175.10 171.21 2gcu n SER 202 N 0.64 0.00 -4.25 3.54 2.88 -0.63 -4.98 113.62 110.82 2gcu n SER 202 Ca -0.19 -0.85 -0.14 0.00 -1.33 0.00 0.00 58.87 56.37 2gcu n SER 202 Cb 0.59 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.95 2gcu n SER 202 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2gcu s THR 203 N -2.01 0.92 0.18 2.46 -4.23 -1.26 -0.49 115.64 111.20 2gcu s THR 203 Ca 0.00 -2.01 -0.14 0.00 -1.18 0.00 0.00 61.69 58.36 2gcu s THR 203 Cb 0.00 -1.99 0.07 0.00 1.34 0.00 0.00 72.50 71.92 2gcu s THR 203 CO 0.00 -0.61 1.76 0.58 -0.54 0.00 0.00 174.62 175.81 2gcu h VAL 204 N 2.73 0.88 -0.86 2.29 2.07 -1.02 -0.90 116.25 121.44 2gcu h VAL 204 Ca -0.37 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 2gcu h VAL 204 Cb 1.20 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 2gcu h VAL 204 CO 0.64 0.07 0.54 1.23 0.02 0.00 0.00 177.57 180.06 2gcu h GLY 205 N 0.38 1.24 0.99 2.17 0.00 -1.16 -0.63 103.07 106.06 2gcu h GLY 205 Ca 0.22 -0.50 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 2gcu h GLY 205 CO -0.20 0.49 -0.00 -2.09 0.00 0.00 0.00 176.54 174.74 2gcu h GLU 206 N 1.18 0.81 -0.21 4.80 4.81 -1.68 -2.16 114.58 122.12 2gcu h GLU 206 Ca 0.31 -0.26 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 2gcu h GLU 206 Cb -0.08 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 2gcu h GLU 206 CO -0.06 0.87 -0.36 0.93 -0.73 0.00 0.00 179.01 179.65 2gcu h GLU 207 N 0.66 0.46 0.00 1.92 4.39 -0.86 0.11 114.58 121.27 2gcu h GLU 207 Ca 0.13 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 2gcu h GLU 207 Cb 0.50 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2gcu h GLU 207 CO 0.02 0.76 -0.21 0.52 -1.16 0.00 0.00 179.01 178.95 2gcu h MET 208 N 0.39 0.00 0.16 2.33 2.86 -0.96 0.14 114.93 119.85 2gcu h MET 208 Ca 0.04 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.34 2gcu h MET 208 Cb 0.82 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.48 2gcu h MET 208 CO 0.07 0.21 -1.79 0.37 1.06 0.00 0.00 176.91 176.83 2gcu h GLN 209 N 0.00 0.33 0.00 1.72 5.75 -1.05 -3.44 115.11 118.42 2gcu h GLN 209 Ca -0.00 -0.57 0.00 0.00 -0.15 0.00 0.00 58.65 57.93 2gcu h GLN 209 Cb 0.48 0.21 0.00 0.00 1.07 0.00 0.00 27.48 29.24 2gcu h GLN 209 CO 0.03 1.27 -0.20 0.72 -2.65 0.00 0.00 178.83 178.00 2gcu n HIS 210 N -3.61 0.00 -1.90 3.99 8.25 0.36 -5.00 115.22 117.31 2gcu n HIS 210 Ca -0.27 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.76 2gcu n HIS 210 Cb 1.04 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.12 2gcu n HIS 210 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2gcu s ASN 211 N -1.24 6.11 0.29 0.41 3.84 0.02 -4.86 114.94 119.51 2gcu s ASN 211 Ca 0.00 1.84 0.25 0.00 0.21 0.00 0.00 52.86 55.16 2gcu s ASN 211 Cb 0.01 -2.53 0.99 0.00 -0.55 0.00 0.00 41.25 39.18 2gcu s ASN 211 CO 0.04 -1.44 1.75 1.55 -2.79 0.00 0.00 177.10 176.21 2gcu h PRO 212 N 12.00 0.00 0.00 0.43 0.13 -1.89 -2.55 132.00 140.12 2gcu h PRO 212 Ca -0.38 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.70 2gcu h PRO 212 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2gcu h PRO 212 CO 0.98 0.00 -0.46 0.00 -0.23 0.00 0.00 178.00 178.29 2gcu h ARG 213 N 0.00 0.00 -0.01 0.86 2.47 -1.89 -3.40 114.38 112.41 2gcu h ARG 213 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2gcu h ARG 213 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 2gcu h ARG 213 CO 0.00 0.30 -0.13 1.28 0.56 0.00 0.00 179.97 181.98 2gcu n LEU 214 N -4.62 0.81 -0.38 3.04 4.77 -1.19 -2.71 117.00 116.72 2gcu n LEU 214 Ca -0.10 -0.17 0.12 0.00 -0.03 0.00 0.00 56.01 55.82 2gcu n LEU 214 Cb 0.30 -0.12 0.11 0.00 -2.33 0.00 0.00 43.42 41.39 2gcu n LEU 214 CO 0.12 0.15 0.40 0.35 -1.33 0.00 0.00 177.39 177.07 2gcu n THR 215 N -0.65 0.00 -1.71 -5.08 -2.24 -0.96 -4.90 114.28 98.74 2gcu n THR 215 Ca 0.15 -0.20 -0.32 0.00 -2.27 0.00 0.00 64.05 61.42 2gcu n THR 215 Cb 0.30 0.95 0.04 0.00 -2.10 0.00 0.00 70.33 69.52 2gcu n THR 215 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2gcu s LYS 216 N -2.53 2.97 0.78 -0.78 -0.14 -1.10 -5.04 119.74 113.91 2gcu s LYS 216 Ca 0.20 1.10 -0.11 0.00 -1.36 0.00 0.00 55.97 55.79 2gcu s LYS 216 Cb 0.18 -1.99 0.07 0.00 -1.68 0.00 0.00 37.83 34.41 2gcu s LYS 216 CO 0.58 -1.08 1.12 0.16 -0.76 0.00 0.00 175.35 175.36 2gcu s ASP 217 N -3.31 4.20 0.18 2.83 1.47 -1.26 -4.72 116.67 116.07 2gcu s ASP 217 Ca 0.61 1.98 -0.13 0.00 1.18 0.00 0.00 52.55 56.19 2gcu s ASP 217 Cb -0.16 -2.54 0.17 0.00 -0.34 0.00 0.00 42.92 40.05 2gcu s ASP 217 CO 0.48 -2.24 1.74 0.50 0.68 0.00 0.00 175.17 176.32 2gcu h LYS 218 N -1.05 0.30 -0.00 2.11 3.64 -1.96 -0.08 116.57 119.53 2gcu h LYS 218 Ca -0.44 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 58.79 2gcu h LYS 218 Cb 1.25 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 2gcu h LYS 218 CO 0.49 0.20 -0.61 0.93 -2.27 0.00 0.00 179.45 178.19 2gcu h GLU 219 N 0.31 0.00 -0.24 1.90 4.39 -1.99 -0.40 114.58 118.55 2gcu h GLU 219 Ca 0.24 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.91 2gcu h GLU 219 Cb 0.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 2gcu h GLU 219 CO -0.27 0.61 0.04 1.15 -1.16 0.00 0.00 179.01 179.38 2gcu h THR 220 N 0.00 1.23 -0.35 1.13 2.02 -1.72 -1.73 112.91 113.48 2gcu h THR 220 Ca -0.01 -0.76 0.06 0.00 0.77 0.00 0.00 66.41 66.48 2gcu h THR 220 Cb 1.08 1.27 -0.06 0.00 -1.74 0.00 0.00 68.15 68.70 2gcu h THR 220 CO 0.08 0.24 0.01 0.15 0.37 0.00 0.00 175.52 176.37 2gcu h PHE 221 N 0.20 0.00 -0.83 3.16 3.57 -0.81 0.50 116.94 122.74 2gcu h PHE 221 Ca 0.07 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.61 2gcu h PHE 221 Cb 0.32 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 2gcu h PHE 221 CO 0.02 -0.05 0.54 0.87 -2.23 0.00 0.00 178.31 177.46 2gcu h LYS 222 N 0.11 1.06 -0.22 1.11 1.57 -0.96 -0.66 116.57 118.58 2gcu h LYS 222 Ca 0.17 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2gcu h LYS 222 Cb 0.23 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2gcu h LYS 222 CO -0.28 0.70 0.09 1.15 -0.57 0.00 0.00 179.45 180.54 2gcu h THR 223 N 1.09 1.17 -0.27 -0.16 2.02 -0.72 -1.30 112.91 114.75 2gcu h THR 223 Ca 0.31 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 2gcu h THR 223 Cb -0.09 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2gcu h THR 223 CO -0.08 0.17 0.15 0.40 0.37 0.00 0.00 175.52 176.53 2gcu h ILE 224 N 0.21 1.12 -0.74 3.11 2.04 -0.66 -2.60 117.51 119.98 2gcu h ILE 224 Ca 0.07 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.66 2gcu h ILE 224 Cb 0.19 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 2gcu h ILE 224 CO -0.01 0.12 0.45 0.24 0.00 0.00 0.00 178.15 178.95 2gcu h MET 225 N 0.32 0.82 0.00 2.37 2.86 -1.06 -2.53 114.93 117.71 2gcu h MET 225 Ca 0.10 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2gcu h MET 225 Cb 0.06 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.54 2gcu h MET 225 CO -0.02 0.54 -0.03 0.66 1.06 0.00 0.00 176.91 179.12 2gcu h SER 226 N 0.84 0.00 -0.39 1.22 4.64 -0.85 -3.02 113.55 115.99 2gcu h SER 226 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2gcu h SER 226 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2gcu h SER 226 CO -0.15 0.03 0.00 0.59 -0.87 0.00 0.00 176.83 176.43 2gcu n ASN 227 N -3.27 3.11 0.25 4.97 3.02 -0.96 -4.66 115.26 117.73 2gcu n ASN 227 Ca -0.02 -1.93 0.17 0.00 -0.03 0.00 0.00 54.58 52.77 2gcu n ASN 227 Cb 0.18 -0.26 0.72 0.00 -0.61 0.00 0.00 39.78 39.81 2gcu n ASN 227 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2gcu h LEU 228 N 2.96 0.00 -0.91 3.41 3.38 -1.51 -3.46 115.31 119.18 2gcu h LEU 228 Ca 0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 2gcu h LEU 228 Cb 0.80 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.60 2gcu h LEU 228 CO 0.00 0.00 -0.72 -3.20 0.09 0.00 0.00 178.44 174.61 2gcu n ASN 229 N -2.84 -5.66 -4.77 -0.43 5.15 -1.26 -4.92 115.26 100.53 2gcu n ASN 229 Ca 0.00 -0.65 -0.40 0.00 -0.60 0.00 0.00 54.58 52.93 2gcu n ASN 229 Cb 0.23 -4.49 0.01 0.00 -0.53 0.00 0.00 39.78 35.01 2gcu n ASN 229 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2gcu s LEU 230 N -7.31 4.17 0.92 1.20 1.43 -1.26 -5.00 118.68 112.84 2gcu s LEU 230 Ca 0.63 2.96 -0.10 0.00 -1.03 0.00 0.00 54.13 56.59 2gcu s LEU 230 Cb -0.30 -3.86 0.15 0.00 0.03 0.00 0.00 46.19 42.21 2gcu s LEU 230 CO 0.78 -1.09 1.13 -0.44 0.23 0.00 0.00 176.35 176.96 2gcu s SER 231 N -0.40 2.96 0.29 2.29 0.01 -1.26 -4.96 113.70 112.63 2gcu s SER 231 Ca 0.58 2.09 -0.30 0.00 1.31 0.00 0.00 55.95 59.63 2gcu s SER 231 Cb -0.45 -2.54 -0.12 0.00 0.21 0.00 0.00 66.02 63.13 2gcu s SER 231 CO 0.58 -3.06 1.59 0.00 0.41 0.00 0.00 173.24 172.76 2gcu n TYR 232 N -4.20 2.81 -1.72 2.43 9.36 -1.26 -4.90 117.16 119.69 2gcu n TYR 232 Ca 0.11 0.26 -0.42 0.00 3.32 0.00 0.00 57.90 61.16 2gcu n TYR 232 Cb 0.52 -2.59 -0.03 0.00 -0.63 0.00 0.00 39.34 36.61 2gcu n TYR 232 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 2gcu s PRO 233 N -0.44 4.14 0.52 2.98 0.02 -1.26 -4.88 135.00 136.08 2gcu s PRO 233 Ca 0.65 2.57 0.22 0.00 0.02 0.00 0.00 61.00 64.45 2gcu s PRO 233 Cb -0.50 -3.94 1.39 0.00 0.02 0.00 0.00 34.50 31.46 2gcu s PRO 233 CO 0.48 -0.90 2.12 0.87 -0.33 0.00 0.00 177.00 179.24 2gcu h LYS 234 N 9.79 0.00 -0.01 5.54 6.56 -1.90 -3.05 116.57 133.50 2gcu h LYS 234 Ca -0.48 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 2gcu h LYS 234 Cb 1.23 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 2gcu h LYS 234 CO 0.94 0.07 -0.04 -1.33 -2.06 0.00 0.00 179.45 177.03 2gcu n MET 235 N -4.11 0.72 -0.02 3.15 2.81 -1.26 -4.79 117.12 113.61 2gcu n MET 235 Ca -0.03 -0.84 -0.02 0.00 -1.81 0.00 0.00 57.70 55.00 2gcu n MET 235 Cb 0.16 -1.11 0.24 0.00 -0.71 0.00 0.00 33.22 31.80 2gcu n MET 235 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 2gcu h ILE 236 N 1.35 1.23 0.00 2.02 2.10 -1.39 0.17 117.51 122.99 2gcu h ILE 236 Ca 0.00 -0.99 -0.02 0.00 1.08 0.00 0.00 64.86 64.93 2gcu h ILE 236 Cb 0.31 1.06 -0.00 0.00 -1.09 0.00 0.00 36.82 37.10 2gcu h ILE 236 CO 0.00 0.33 -0.12 0.44 -1.08 0.00 0.00 178.15 177.72 2gcu h ASP 237 N 0.53 0.00 0.02 2.19 3.32 -1.87 -2.08 116.42 118.53 2gcu h ASP 237 Ca 0.10 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.78 2gcu h ASP 237 Cb 0.47 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.97 2gcu h ASP 237 CO 0.03 0.12 -2.09 0.52 -1.72 0.00 0.00 179.24 176.09 2gcu n VAL 238 N -3.56 1.56 -0.07 -1.35 0.31 -0.86 -4.50 118.33 109.86 2gcu n VAL 238 Ca -0.02 -0.36 -0.13 0.00 -0.01 0.00 0.00 64.34 63.82 2gcu n VAL 238 Cb 0.25 -1.82 -0.06 0.00 -0.91 0.00 0.00 33.84 31.31 2gcu n VAL 238 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gcu h ALA 239 N -0.50 0.31 0.02 3.52 0.00 -0.61 -2.69 119.26 119.31 2gcu h ALA 239 Ca -0.54 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.01 2gcu h ALA 239 Cb 1.65 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2gcu h ALA 239 CO -0.22 0.26 -0.01 0.28 0.00 0.00 0.00 179.25 179.55 2gcu h VAL 240 N 0.20 1.11 -0.84 0.00 2.07 -1.49 0.13 116.25 117.44 2gcu h VAL 240 Ca 0.03 -0.42 0.07 0.00 0.82 0.00 0.00 66.70 67.21 2gcu h VAL 240 Cb 0.76 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.86 2gcu h VAL 240 CO 0.05 0.11 0.51 -0.65 0.02 0.00 0.00 177.57 177.61 2gcu h PRO 241 N -0.21 0.89 -0.69 1.57 0.11 -1.77 0.63 132.00 132.53 2gcu h PRO 241 Ca -0.00 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.00 2gcu h PRO 241 Cb 0.20 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 2gcu h PRO 241 CO 0.00 0.59 0.22 0.00 -0.21 0.00 0.00 178.00 178.60 2gcu h ALA 242 N 1.41 0.90 0.00 -0.75 0.00 -1.20 -2.94 119.26 116.68 2gcu h ALA 242 Ca 0.37 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2gcu h ALA 242 Cb 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2gcu h ALA 242 CO -0.19 0.58 -0.52 -0.91 0.00 0.00 0.00 179.25 178.21 2gcu h ASN 243 N 1.01 0.00 0.58 0.00 2.35 -0.17 -0.48 115.58 118.87 2gcu h ASN 243 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2gcu h ASN 243 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 2gcu h ASN 243 CO -0.01 0.52 0.00 0.24 -1.65 0.00 0.00 177.43 176.54 2gcu h MET 244 N 0.00 0.00 0.00 0.81 2.86 -0.70 -3.40 114.93 114.50 2gcu h MET 244 Ca -0.01 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 2gcu h MET 244 Cb 1.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 2gcu h MET 244 CO 0.07 0.00 -1.46 1.33 1.06 0.00 0.00 176.91 177.91 2gcu n VAL 245 N -2.84 0.46 0.00 -2.22 0.24 -1.00 -1.71 118.33 111.26 2gcu n VAL 245 Ca -0.00 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 2gcu n VAL 245 Cb 0.20 -1.19 0.00 0.00 -1.47 0.00 0.00 33.84 31.38 2gcu n VAL 245 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2gcu n GLY 247 N 2.80 0.00 3.94 7.63 0.00 -0.22 -4.87 105.19 114.47 2gcu n GLY 247 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 2gcu n GLY 247 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gcu s LEU 248 N 0.00 3.90 0.27 0.99 1.43 -1.26 -4.47 118.68 119.53 2gcu s LEU 248 Ca 0.00 0.46 0.08 0.00 -1.03 0.00 0.00 54.13 53.64 2gcu s LEU 248 Cb 0.00 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 2gcu s LEU 248 CO 0.00 -0.41 0.16 -1.10 0.23 0.00 0.00 176.35 175.23 2gcu s GLN 249 N -4.41 2.74 -0.01 1.70 -1.52 -1.26 -5.04 119.66 111.85 2gcu s GLN 249 Ca 0.42 -1.19 0.22 0.00 -1.95 0.00 0.00 55.36 52.87 2gcu s GLN 249 Cb -0.10 -2.45 0.65 0.00 -0.22 0.00 0.00 33.01 30.90 2gcu s GLN 249 CO 0.37 0.34 1.55 -0.40 -0.25 0.00 0.00 175.29 176.90 2gcu n ASP 250 N -1.14 4.00 -4.17 5.90 5.68 -1.26 -4.86 116.55 120.70 2gcu n ASP 250 Ca -0.07 -2.06 -0.22 0.00 -0.50 0.00 0.00 54.79 51.95 2gcu n ASP 250 Cb 0.58 -0.50 -0.14 0.00 -1.14 0.00 0.00 41.12 39.93 2gcu n ASP 250 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 2gcu s VAL 251 N -1.14 1.25 0.62 2.12 -7.23 -1.26 -5.13 120.40 109.62 2gcu s VAL 251 Ca 0.49 -1.01 -0.19 0.00 -1.81 0.00 0.00 61.98 59.46 2gcu s VAL 251 Cb 0.26 -1.11 -0.03 0.00 0.56 0.00 0.00 36.38 36.07 2gcu s VAL 251 CO 0.32 0.08 1.22 -2.65 -0.31 0.00 0.00 175.10 173.76 2gcu n PRO 252 N 1.96 1.15 -1.88 4.82 -0.02 -1.26 -4.94 135.00 134.83 2gcu n PRO 252 Ca -0.17 0.44 -0.35 0.00 -2.02 0.00 0.00 63.50 61.40 2gcu n PRO 252 Cb 0.54 -2.44 0.04 0.00 -0.02 0.00 0.00 33.50 31.63 2gcu n PRO 252 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2gcu s SER 253 N -1.27 5.03 0.07 2.55 1.04 -1.26 -5.04 113.70 114.82 2gcu s SER 253 Ca 0.79 2.29 0.03 0.00 0.48 0.00 0.00 55.95 59.55 2gcu s SER 253 Cb -0.40 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.10 2gcu s SER 253 CO 0.43 -1.70 0.06 -1.10 0.98 0.00 0.00 173.24 171.92 2gcu s GLN 254 N -3.57 2.84 0.00 4.02 -0.21 -1.26 -5.29 119.66 116.19 2gcu s GLN 254 Ca 0.75 -0.70 0.00 0.00 0.02 0.00 0.00 55.36 55.43 2gcu s GLN 254 Cb -0.28 -2.71 0.00 0.00 1.00 0.00 0.00 33.01 31.03 2gcu s GLN 254 CO 0.36 0.57 0.00 0.00 -2.12 0.00 0.00 175.29 174.10