#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gg9 s LEU 12 N 0.00 3.76 -0.27 2.46 1.43 -1.26 -4.94 118.68 119.86 3gg9 s LEU 12 Ca 0.00 -0.09 -0.26 0.00 -1.03 0.00 0.00 54.13 52.75 3gg9 s LEU 12 Cb 0.00 -2.41 0.00 0.00 0.03 0.00 0.00 46.19 43.81 3gg9 s LEU 12 CO 0.00 0.13 0.92 -0.75 0.23 0.00 0.00 176.35 176.88 3gg9 s LYS 13 N -2.69 4.13 -0.06 1.70 2.36 -1.26 -1.78 119.74 122.14 3gg9 s LYS 13 Ca 0.30 0.99 0.03 0.00 -2.55 0.00 0.00 55.97 54.74 3gg9 s LYS 13 Cb -0.11 -3.68 -0.02 0.00 -1.05 0.00 0.00 37.83 32.96 3gg9 s LYS 13 CO 0.22 -0.66 -0.14 0.42 1.55 0.00 0.00 175.35 176.74 3gg9 s ILE 14 N 3.12 3.03 -0.03 5.43 1.01 0.50 -1.47 121.20 132.79 3gg9 s ILE 14 Ca 0.39 -0.72 0.05 0.00 0.00 0.00 0.00 60.65 60.36 3gg9 s ILE 14 Cb -0.14 -2.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 3gg9 s ILE 14 CO 0.10 0.58 -0.18 0.00 0.00 0.00 0.00 174.94 175.44 3gg9 s ALA 15 N -0.57 1.58 -0.21 9.38 0.00 -0.53 -1.33 121.76 130.08 3gg9 s ALA 15 Ca 0.08 -0.76 -0.06 0.00 0.00 0.00 0.00 51.96 51.23 3gg9 s ALA 15 Cb -0.11 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 3gg9 s ALA 15 CO 0.01 0.32 0.02 0.08 0.00 0.00 0.00 175.76 176.19 3gg9 s VAL 16 N -0.13 4.06 0.12 0.00 1.01 0.08 -0.80 120.40 124.73 3gg9 s VAL 16 Ca -0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 3gg9 s VAL 16 Cb -0.10 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 3gg9 s VAL 16 CO 0.01 0.41 0.34 -0.76 0.00 0.00 0.00 175.10 175.10 3gg9 s LEU 17 N 1.10 4.29 -1.22 3.92 1.43 -1.05 -0.77 118.68 126.37 3gg9 s LEU 17 Ca 0.03 0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 53.61 3gg9 s LEU 17 Cb -0.14 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 42.87 3gg9 s LEU 17 CO 0.02 0.09 0.53 0.47 0.23 0.00 0.00 176.35 177.69 3gg9 n ASP 18 N 0.18 -5.23 -4.40 2.29 8.00 -1.23 -4.36 116.55 111.80 3gg9 n ASP 18 Ca -0.03 -0.25 -0.45 0.00 0.71 0.00 0.00 54.79 54.77 3gg9 n ASP 18 Cb 0.52 -4.05 -0.01 0.00 -0.02 0.00 0.00 41.12 37.57 3gg9 n ASP 18 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gg9 s ASP 19 N -2.82 7.09 0.34 -2.24 2.15 -0.39 -4.90 116.67 115.91 3gg9 s ASP 19 Ca 0.26 -3.10 0.04 0.00 0.43 0.00 0.00 52.55 50.18 3gg9 s ASP 19 Cb -0.12 -2.31 0.66 0.00 -0.30 0.00 0.00 42.92 40.85 3gg9 s ASP 19 CO 0.33 -0.58 1.95 1.88 -0.17 0.00 0.00 175.17 178.57 3gg9 h TYR 20 N 7.20 0.86 -0.53 -5.34 0.05 -1.81 -1.74 116.97 115.66 3gg9 h TYR 20 Ca 0.23 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.03 3gg9 h TYR 20 Cb 0.91 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.36 3gg9 h TYR 20 CO 0.97 0.46 0.00 1.04 -1.05 0.00 0.00 178.16 179.58 3gg9 n GLN 21 N -4.48 2.60 -3.58 4.88 6.02 -1.26 -4.87 117.38 116.69 3gg9 n GLN 21 Ca 0.11 -2.45 -0.22 0.00 -0.01 0.00 0.00 57.00 54.43 3gg9 n GLN 21 Cb 0.20 -1.54 0.07 0.00 1.02 0.00 0.00 30.24 29.99 3gg9 n GLN 21 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3gg9 n ASP 22 N 1.58 -3.89 0.02 1.08 2.03 -0.65 -4.92 116.55 111.79 3gg9 n ASP 22 Ca 0.22 -0.63 -0.13 0.00 0.52 0.00 0.00 54.79 54.76 3gg9 n ASP 22 Cb 0.62 -4.82 -0.14 0.00 -0.72 0.00 0.00 41.12 36.06 3gg9 n ASP 22 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gg9 h ALA 23 N 0.95 0.49 -0.96 -1.67 0.00 -1.93 -3.39 119.26 112.75 3gg9 h ALA 23 Ca -0.58 -1.27 0.10 0.00 0.00 0.00 0.00 54.91 53.16 3gg9 h ALA 23 Cb 1.36 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 19.45 3gg9 h ALA 23 CO 0.55 1.35 0.60 0.28 0.00 0.00 0.00 179.25 182.03 3gg9 h VAL 24 N 0.04 0.96 0.00 0.00 2.07 -1.93 -1.93 116.25 115.46 3gg9 h VAL 24 Ca -0.26 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3gg9 h VAL 24 Cb 1.99 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3gg9 h VAL 24 CO 0.12 0.18 0.00 0.08 0.02 0.00 0.00 177.57 177.97 3gg9 h ARG 25 N 0.99 0.00 -0.07 1.57 0.11 -2.00 -2.71 114.38 112.27 3gg9 h ARG 25 Ca 0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.54 3gg9 h ARG 25 Cb 0.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.45 3gg9 h ARG 25 CO -0.24 0.00 0.00 1.63 0.10 0.00 0.00 179.97 181.46 3gg9 n LYS 26 N -2.63 2.04 -2.59 0.08 5.02 -0.73 -4.88 118.16 114.45 3gg9 n LYS 26 Ca 0.03 -1.51 -0.34 0.00 -2.02 0.00 0.00 58.31 54.47 3gg9 n LYS 26 Cb 0.37 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.87 3gg9 n LYS 26 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gg9 s LEU 27 N -1.91 3.88 0.22 -0.35 1.43 -1.02 -4.96 118.68 115.98 3gg9 s LEU 27 Ca 0.33 1.89 -0.08 0.00 -1.03 0.00 0.00 54.13 55.25 3gg9 s LEU 27 Cb 0.20 -4.53 0.26 0.00 0.03 0.00 0.00 46.19 42.15 3gg9 s LEU 27 CO 0.31 -0.69 1.85 -0.78 0.23 0.00 0.00 176.35 177.27 3gg9 h ASP 28 N 1.68 0.79 0.18 2.29 3.58 -1.92 -2.66 116.42 120.37 3gg9 h ASP 28 Ca -0.49 0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.96 3gg9 h ASP 28 Cb 1.21 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.10 3gg9 h ASP 28 CO 0.60 0.53 0.00 0.00 -2.88 0.00 0.00 179.24 177.48 3gg9 h PHE 30 N 0.00 0.02 0.00 0.00 3.57 -1.72 -2.87 116.94 115.94 3gg9 h PHE 30 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3gg9 h PHE 30 Cb 0.09 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.83 3gg9 h PHE 30 CO 0.00 0.38 0.00 -1.13 -2.23 0.00 0.00 178.31 175.33 3gg9 n SER 31 N -4.10 0.00 0.26 0.41 3.41 -1.19 -2.00 113.62 110.41 3gg9 n SER 31 Ca -0.02 0.15 0.14 0.00 -0.26 0.00 0.00 58.87 58.88 3gg9 n SER 31 Cb 0.40 -0.31 0.70 0.00 -0.26 0.00 0.00 64.21 64.74 3gg9 n SER 31 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3gg9 h LEU 32 N 0.00 0.00 -3.65 1.04 3.38 -1.76 -2.94 115.31 111.38 3gg9 h LEU 32 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3gg9 h LEU 32 Cb 0.14 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 3gg9 h LEU 32 CO 0.00 0.12 0.16 0.18 0.09 0.00 0.00 178.44 178.99 3gg9 n LEU 33 N -3.45 5.82 0.25 1.67 4.77 -0.84 -4.69 117.00 120.53 3gg9 n LEU 33 Ca -0.01 -3.14 0.08 0.00 -0.03 0.00 0.00 56.01 52.90 3gg9 n LEU 33 Cb 0.28 -0.71 0.62 0.00 -2.33 0.00 0.00 43.42 41.28 3gg9 n LEU 33 CO 0.29 0.76 1.04 0.06 -1.33 0.00 0.00 177.39 178.21 3gg9 h GLN 34 N 2.98 0.00 -0.18 3.23 3.07 -1.71 -1.81 115.11 120.70 3gg9 h GLN 34 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.91 3gg9 h GLN 34 Cb 2.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.72 3gg9 h GLN 34 CO 0.63 0.04 0.00 -0.25 0.09 0.00 0.00 178.83 179.33 3gg9 n ASP 35 N -4.47 0.62 -4.36 0.06 8.00 -1.26 -4.90 116.55 110.24 3gg9 n ASP 35 Ca -0.03 -2.01 -0.18 0.00 0.71 0.00 0.00 54.79 53.28 3gg9 n ASP 35 Cb 0.12 -0.11 -0.10 0.00 -0.02 0.00 0.00 41.12 41.01 3gg9 n ASP 35 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3gg9 s HIS 36 N -1.81 1.67 -0.37 1.24 3.76 -0.68 -4.35 115.29 114.76 3gg9 s HIS 36 Ca 0.07 -1.03 -0.15 0.00 -0.15 0.00 0.00 55.06 53.79 3gg9 s HIS 36 Cb 0.04 -1.02 -0.00 0.00 1.11 0.00 0.00 32.58 32.70 3gg9 s HIS 36 CO 0.04 -0.14 0.35 -1.21 -0.85 0.00 0.00 174.74 172.93 3gg9 s GLU 37 N -3.94 3.38 -0.15 1.40 2.02 -0.73 -4.98 118.70 115.70 3gg9 s GLU 37 Ca 0.34 -0.60 -0.01 0.00 0.02 0.00 0.00 54.97 54.72 3gg9 s GLU 37 Cb 0.07 -3.86 -0.01 0.00 0.10 0.00 0.00 34.13 30.43 3gg9 s GLU 37 CO 0.13 -0.61 -0.11 0.08 0.02 0.00 0.00 175.26 174.77 3gg9 s VAL 38 N 1.95 3.16 -0.13 2.63 1.01 -1.26 -0.37 120.40 127.38 3gg9 s VAL 38 Ca 0.10 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3gg9 s VAL 38 Cb -0.17 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 3gg9 s VAL 38 CO 0.12 0.50 -0.14 -0.75 0.00 0.00 0.00 175.10 174.83 3gg9 s LYS 39 N 0.59 3.33 -0.18 2.72 2.47 -0.44 -5.00 119.74 123.23 3gg9 s LYS 39 Ca -0.07 -0.71 -0.02 0.00 -1.56 0.00 0.00 55.97 53.61 3gg9 s LYS 39 Cb -0.15 -2.61 -0.01 0.00 -1.46 0.00 0.00 37.83 33.59 3gg9 s LYS 39 CO 0.03 0.17 -0.07 0.08 0.16 0.00 0.00 175.35 175.71 3gg9 s VAL 40 N 0.46 3.34 0.16 4.02 1.01 -1.26 -0.75 120.40 127.39 3gg9 s VAL 40 Ca -0.10 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.23 3gg9 s VAL 40 Cb -0.16 -2.47 -0.07 0.00 0.00 0.00 0.00 36.38 33.68 3gg9 s VAL 40 CO 0.05 0.47 0.53 -0.36 0.00 0.00 0.00 175.10 175.79 3gg9 s PHE 41 N 0.89 3.54 -1.19 5.22 0.40 0.05 -4.97 117.98 121.92 3gg9 s PHE 41 Ca -0.02 0.96 0.11 0.00 -0.60 0.00 0.00 56.93 57.38 3gg9 s PHE 41 Cb -0.15 -2.30 0.19 0.00 0.51 0.00 0.00 43.02 41.27 3gg9 s PHE 41 CO 0.01 0.39 1.04 0.09 0.70 0.00 0.00 175.22 177.44 3gg9 n ASN 42 N 0.50 2.39 -4.00 1.36 5.03 -1.26 -1.26 115.26 118.02 3gg9 n ASN 42 Ca -0.04 -1.71 -0.13 0.00 0.87 0.00 0.00 54.58 53.58 3gg9 n ASN 42 Cb 0.52 -0.11 -0.09 0.00 -1.02 0.00 0.00 39.78 39.09 3gg9 n ASN 42 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3gg9 s ASN 43 N -0.96 0.34 -0.18 6.41 2.20 -1.26 -3.90 114.94 117.59 3gg9 s ASN 43 Ca 0.18 -1.36 -0.04 0.00 -0.94 0.00 0.00 52.86 50.70 3gg9 s ASN 43 Cb 0.11 0.46 -0.02 0.00 -2.00 0.00 0.00 41.25 39.79 3gg9 s ASN 43 CO 0.15 -0.95 -0.02 -0.89 -2.94 0.00 0.00 177.10 172.45 3gg9 s THR 44 N -3.98 3.87 -0.13 0.54 2.01 -1.26 -4.20 115.64 112.49 3gg9 s THR 44 Ca 0.36 -0.35 -0.02 0.00 0.31 0.00 0.00 61.69 61.99 3gg9 s THR 44 Cb 0.05 -2.72 -0.02 0.00 0.01 0.00 0.00 72.50 69.81 3gg9 s THR 44 CO 0.14 0.46 -0.07 0.68 -0.69 0.00 0.00 174.62 175.14 3gg9 s VAL 45 N 0.72 3.61 -0.09 3.82 -7.23 -1.26 -5.03 120.40 114.95 3gg9 s VAL 45 Ca -0.01 -0.47 0.18 0.00 -1.81 0.00 0.00 61.98 59.87 3gg9 s VAL 45 Cb -0.14 -2.54 -0.27 0.00 0.56 0.00 0.00 36.38 33.98 3gg9 s VAL 45 CO 0.02 0.53 0.28 0.29 -0.31 0.00 0.00 175.10 175.90 3gg9 n LYS 46 N 3.23 0.77 -1.76 4.82 5.02 -1.26 -4.77 118.16 124.21 3gg9 n LYS 46 Ca -0.18 -0.11 -0.42 0.00 -2.02 0.00 0.00 58.31 55.58 3gg9 n LYS 46 Cb 0.53 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 3gg9 n LYS 46 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3gg9 s GLY 47 N -4.69 1.47 0.40 0.72 0.00 -1.26 -4.89 107.32 99.06 3gg9 s GLY 47 Ca -0.08 1.24 0.15 0.00 0.00 0.00 0.00 44.72 46.03 3gg9 s GLY 47 CO 0.79 3.34 1.85 -2.08 0.00 0.00 0.00 173.10 177.00 3gg9 h VAL 48 N 5.54 0.71 -0.07 1.40 2.07 -1.97 0.37 116.25 124.30 3gg9 h VAL 48 Ca -0.47 -0.17 -0.15 0.00 0.82 0.00 0.00 66.70 66.73 3gg9 h VAL 48 Cb 1.22 0.18 0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3gg9 h VAL 48 CO 0.94 0.09 -0.55 1.23 0.02 0.00 0.00 177.57 179.30 3gg9 h GLY 49 N 0.49 0.55 1.67 2.17 0.00 -1.95 -2.42 103.07 103.58 3gg9 h GLY 49 Ca 0.47 -0.83 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 3gg9 h GLY 49 CO -0.20 0.74 -0.52 1.46 0.00 0.00 0.00 176.54 178.02 3gg9 h GLN 50 N 0.07 0.35 -0.36 4.80 7.50 -1.69 -2.59 115.11 123.19 3gg9 h GLN 50 Ca -0.05 -0.21 -0.17 0.00 0.50 0.00 0.00 58.65 58.73 3gg9 h GLN 50 Cb 1.21 0.02 -0.00 0.00 0.05 0.00 0.00 27.48 28.76 3gg9 h GLN 50 CO 0.11 0.78 -0.43 1.25 -1.50 0.00 0.00 178.83 179.05 3gg9 h LEU 51 N 0.27 0.98 -0.84 1.46 5.85 -0.39 -2.81 115.31 119.85 3gg9 h LEU 51 Ca 0.01 -0.47 -0.05 0.00 0.84 0.00 0.00 57.88 58.21 3gg9 h LEU 51 Cb 1.00 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 3gg9 h LEU 51 CO 0.09 1.27 0.29 0.00 -0.34 0.00 0.00 178.44 179.74 3gg9 h ALA 52 N 0.77 1.07 -0.27 1.25 0.00 -1.38 -3.00 119.26 117.70 3gg9 h ALA 52 Ca 0.05 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3gg9 h ALA 52 Cb 1.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3gg9 h ALA 52 CO 0.10 0.65 -0.29 0.00 0.00 0.00 0.00 179.25 179.72 3gg9 h ALA 53 N 1.20 0.99 -0.77 0.00 0.00 -1.42 -1.83 119.26 117.42 3gg9 h ALA 53 Ca 0.25 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3gg9 h ALA 53 Cb 0.23 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3gg9 h ALA 53 CO -0.02 0.60 0.27 0.00 0.00 0.00 0.00 179.25 180.10 3gg9 h ARG 54 N 0.48 1.18 -0.18 0.00 3.08 -1.43 -3.30 114.38 114.20 3gg9 h ARG 54 Ca 0.06 -0.24 -0.07 0.00 0.07 0.00 0.00 59.98 59.81 3gg9 h ARG 54 Cb 0.75 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.58 3gg9 h ARG 54 CO 0.06 0.98 -0.15 1.55 -1.07 0.00 0.00 179.97 181.34 3gg9 n VAL 55 N -4.27 2.29 -0.08 2.04 3.14 -1.12 -4.76 118.33 115.57 3gg9 n VAL 55 Ca 0.07 -2.60 0.00 0.00 -2.96 0.00 0.00 64.34 58.85 3gg9 n VAL 55 Cb 0.21 -0.27 0.29 0.00 -1.06 0.00 0.00 33.84 33.00 3gg9 n VAL 55 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3gg9 h ALA 56 N 0.95 1.42 -0.01 1.55 0.00 -1.42 -3.11 119.26 118.64 3gg9 h ALA 56 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3gg9 h ALA 56 Cb 1.33 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3gg9 h ALA 56 CO 0.19 0.44 -0.63 -0.40 0.00 0.00 0.00 179.25 178.84 3gg9 n ASP 57 N -4.35 1.69 -4.83 0.00 5.75 -1.26 -4.60 116.55 108.94 3gg9 n ASP 57 Ca 0.04 -1.34 -0.35 0.00 -0.01 0.00 0.00 54.79 53.14 3gg9 n ASP 57 Cb 0.15 0.63 -0.06 0.00 -1.03 0.00 0.00 41.12 40.81 3gg9 n ASP 57 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3gg9 s VAL 58 N -2.64 4.68 -0.05 2.12 -7.23 -1.18 -4.82 120.40 111.28 3gg9 s VAL 58 Ca 0.15 1.05 0.17 0.00 -1.81 0.00 0.00 61.98 61.55 3gg9 s VAL 58 Cb 0.17 -3.75 -0.26 0.00 0.56 0.00 0.00 36.38 33.11 3gg9 s VAL 58 CO 0.66 0.09 0.33 -0.62 -0.31 0.00 0.00 175.10 175.25 3gg9 n GLU 59 N 0.38 0.66 -4.35 4.82 1.02 -0.54 -3.48 120.64 119.15 3gg9 n GLU 59 Ca -0.01 -0.13 -0.26 0.00 -0.02 0.00 0.00 57.16 56.74 3gg9 n GLU 59 Cb 0.52 -1.41 -0.17 0.00 -0.02 0.00 0.00 31.44 30.36 3gg9 n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gg9 s ALA 60 N -3.07 1.34 -0.18 0.62 0.00 -0.89 -0.36 121.76 119.23 3gg9 s ALA 60 Ca -0.07 -0.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.38 3gg9 s ALA 60 Cb 0.10 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 3gg9 s ALA 60 CO 0.71 -0.08 -0.10 -1.17 0.00 0.00 0.00 175.76 175.12 3gg9 s LEU 61 N 1.03 2.69 -0.27 0.00 2.96 0.40 -1.46 118.68 124.04 3gg9 s LEU 61 Ca -0.07 -0.41 -0.07 0.00 -0.22 0.00 0.00 54.13 53.36 3gg9 s LEU 61 Cb -0.15 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 3gg9 s LEU 61 CO -0.01 0.06 0.07 -0.69 -1.32 0.00 0.00 176.35 174.46 3gg9 s VAL 62 N 1.00 4.15 0.04 1.68 1.01 0.02 0.98 120.40 129.27 3gg9 s VAL 62 Ca -0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 3gg9 s VAL 62 Cb -0.15 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 3gg9 s VAL 62 CO -0.01 0.25 0.17 -0.76 0.00 0.00 0.00 175.10 174.74 3gg9 s LEU 63 N 1.57 4.22 -0.50 3.92 1.43 -0.73 -2.54 118.68 126.05 3gg9 s LEU 63 Ca 0.05 0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 53.24 3gg9 s LEU 63 Cb -0.16 -2.73 0.11 0.00 0.03 0.00 0.00 46.19 43.44 3gg9 s LEU 63 CO 0.03 0.20 0.43 -0.63 0.23 0.00 0.00 176.35 176.61 3gg9 s ILE 64 N -1.41 4.98 0.00 -0.59 1.01 -1.26 -2.78 121.20 121.15 3gg9 s ILE 64 Ca 0.31 -1.42 0.00 0.00 0.00 0.00 0.00 60.65 59.54 3gg9 s ILE 64 Cb -0.13 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.21 3gg9 s ILE 64 CO 0.23 -0.75 0.00 0.54 0.00 0.00 0.00 174.94 174.96 3gg9 n ARG 65 N 5.16 0.00 -0.94 2.79 1.74 -1.25 -1.27 116.66 122.88 3gg9 n ARG 65 Ca -0.12 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 56.98 3gg9 n ARG 65 Cb 0.41 0.00 0.37 0.00 -1.02 0.00 0.00 32.46 32.22 3gg9 n ARG 65 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3gg9 n GLU 66 N 14.00 4.42 -0.05 5.56 -0.58 -1.26 -4.64 120.64 138.09 3gg9 n GLU 66 Ca 0.00 -3.14 0.02 0.00 -0.42 0.00 0.00 57.16 53.62 3gg9 n GLU 66 Cb 0.00 -2.24 0.36 0.00 -0.57 0.00 0.00 31.44 28.99 3gg9 n GLU 66 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3gg9 h ARG 67 N 3.44 0.64 -5.48 3.49 3.08 -1.60 -3.41 114.38 114.55 3gg9 h ARG 67 Ca 0.10 -0.05 -0.63 0.00 0.07 0.00 0.00 59.98 59.47 3gg9 h ARG 67 Cb 2.11 -0.14 -0.32 0.00 0.08 0.00 0.00 29.97 31.71 3gg9 h ARG 67 CO 0.58 0.46 -0.86 0.99 -1.07 0.00 0.00 179.97 180.08 3gg9 s THR 68 N -5.48 1.77 0.07 2.04 2.01 -1.26 -5.02 115.64 109.76 3gg9 s THR 68 Ca -0.09 -0.89 -0.24 0.00 0.31 0.00 0.00 61.69 60.79 3gg9 s THR 68 Cb 0.17 -1.52 -0.06 0.00 0.01 0.00 0.00 72.50 71.10 3gg9 s THR 68 CO 0.75 0.50 0.71 -0.60 -0.69 0.00 0.00 174.62 175.29 3gg9 s ARG 69 N 0.10 4.45 -0.39 4.92 3.52 -1.26 -4.87 118.95 125.42 3gg9 s ARG 69 Ca -0.08 0.99 -0.06 0.00 -0.13 0.00 0.00 55.73 56.44 3gg9 s ARG 69 Cb -0.14 -3.32 0.08 0.00 -1.56 0.00 0.00 34.95 30.01 3gg9 s ARG 69 CO 0.04 0.41 0.19 0.08 -0.81 0.00 0.00 175.30 175.22 3gg9 s VAL 70 N -0.47 3.75 0.25 7.11 1.01 0.14 -5.02 120.40 127.18 3gg9 s VAL 70 Ca 0.35 -1.55 0.05 0.00 0.00 0.00 0.00 61.98 60.84 3gg9 s VAL 70 Cb -0.21 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3gg9 s VAL 70 CO 0.22 -0.46 0.35 0.42 0.00 0.00 0.00 175.10 175.63 3gg9 s THR 71 N 1.32 5.01 0.22 3.92 -4.23 -1.26 -1.43 115.64 119.19 3gg9 s THR 71 Ca 0.03 -1.05 -0.08 0.00 -1.18 0.00 0.00 61.69 59.41 3gg9 s THR 71 Cb -0.22 -3.74 0.17 0.00 1.34 0.00 0.00 72.50 70.04 3gg9 s THR 71 CO -0.00 -0.31 1.75 -0.09 -0.54 0.00 0.00 174.62 175.42 3gg9 h ARG 72 N 1.18 0.43 0.00 3.99 2.43 -1.97 -1.40 114.38 119.04 3gg9 h ARG 72 Ca -0.51 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 3gg9 h ARG 72 Cb 1.23 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3gg9 h ARG 72 CO 0.60 0.29 0.00 0.00 -1.51 0.00 0.00 179.97 179.35 3gg9 n GLN 73 N -4.98 0.04 -0.05 0.20 10.64 -1.26 -1.64 117.38 120.33 3gg9 n GLN 73 Ca 0.10 0.26 -0.16 0.00 -1.83 0.00 0.00 57.00 55.37 3gg9 n GLN 73 Cb 0.30 -1.58 -0.13 0.00 -0.86 0.00 0.00 30.24 27.97 3gg9 n GLN 73 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 3gg9 h LEU 74 N 0.00 0.09 -1.23 2.61 5.85 -1.62 -3.36 115.31 117.64 3gg9 h LEU 74 Ca 0.00 -0.93 -0.06 0.00 0.84 0.00 0.00 57.88 57.73 3gg9 h LEU 74 Cb 0.30 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3gg9 h LEU 74 CO 0.00 1.14 -0.13 -0.07 -0.34 0.00 0.00 178.44 179.04 3gg9 h LEU 75 N -0.87 0.36 -1.87 2.25 3.38 -1.04 -1.23 115.31 116.28 3gg9 h LEU 75 Ca -0.08 -0.08 0.12 0.00 0.09 0.00 0.00 57.88 57.93 3gg9 h LEU 75 Cb 1.17 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3gg9 h LEU 75 CO 0.00 0.52 0.35 0.44 0.09 0.00 0.00 178.44 179.84 3gg9 h ASP 76 N 0.35 0.13 -0.49 -0.43 3.45 -1.48 -1.68 116.42 116.26 3gg9 h ASP 76 Ca 0.07 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.53 3gg9 h ASP 76 Cb 0.44 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.19 3gg9 h ASP 76 CO 0.03 0.08 0.00 0.54 -1.57 0.00 0.00 179.24 178.31 3gg9 n ARG 77 N -4.43 2.22 -3.64 3.56 1.74 -0.47 -4.70 116.66 110.94 3gg9 n ARG 77 Ca 0.08 -1.88 -0.28 0.00 -0.77 0.00 0.00 57.85 55.00 3gg9 n ARG 77 Cb 0.47 -1.42 -0.12 0.00 -1.02 0.00 0.00 32.46 30.37 3gg9 n ARG 77 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3gg9 s LEU 78 N -1.09 2.67 0.29 0.55 1.43 -0.63 -4.94 118.68 116.96 3gg9 s LEU 78 Ca 0.36 -3.04 0.07 0.00 -1.03 0.00 0.00 54.13 50.49 3gg9 s LEU 78 Cb 0.19 -0.94 0.45 0.00 0.03 0.00 0.00 46.19 45.92 3gg9 s LEU 78 CO 0.25 -0.19 1.69 1.55 0.23 0.00 0.00 176.35 179.88 3gg9 h PRO 79 N 6.07 0.21 0.00 1.29 0.13 -1.84 -3.25 132.00 134.60 3gg9 h PRO 79 Ca 0.12 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3gg9 h PRO 79 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3gg9 h PRO 79 CO 0.49 0.61 -0.20 1.63 -0.23 0.00 0.00 178.00 180.30 3gg9 n LYS 80 N -4.00 0.03 -2.28 0.86 5.02 -1.26 -4.89 118.16 111.63 3gg9 n LYS 80 Ca -0.02 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3gg9 n LYS 80 Cb 0.49 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.95 3gg9 n LYS 80 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3gg9 s LEU 81 N -3.15 4.32 -0.03 -0.35 2.96 -1.23 -4.26 118.68 116.95 3gg9 s LEU 81 Ca 0.12 2.08 0.02 0.00 -0.22 0.00 0.00 54.13 56.14 3gg9 s LEU 81 Cb 0.18 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.27 3gg9 s LEU 81 CO 0.60 -0.66 -0.00 0.29 -1.32 0.00 0.00 176.35 175.26 3gg9 n LYS 82 N 4.96 2.50 -4.59 1.98 5.02 0.20 -4.70 118.16 123.55 3gg9 n LYS 82 Ca 0.12 0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 56.18 3gg9 n LYS 82 Cb 0.44 -1.08 -0.16 0.00 -0.02 0.00 0.00 35.03 34.21 3gg9 n LYS 82 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gg9 s ILE 83 N -2.07 1.09 -0.23 -0.18 1.01 0.51 -1.52 121.20 119.80 3gg9 s ILE 83 Ca -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.12 3gg9 s ILE 83 Cb 0.01 -0.96 0.03 0.00 0.01 0.00 0.00 42.46 41.55 3gg9 s ILE 83 CO 0.11 0.33 -0.12 -0.63 0.00 0.00 0.00 174.94 174.64 3gg9 s ILE 84 N 0.28 2.44 -0.36 2.92 1.01 0.61 -0.45 121.20 127.64 3gg9 s ILE 84 Ca -0.07 -1.16 -0.09 0.00 0.00 0.00 0.00 60.65 59.33 3gg9 s ILE 84 Cb -0.12 -2.23 0.03 0.00 0.01 0.00 0.00 42.46 40.16 3gg9 s ILE 84 CO 0.02 0.24 0.17 -0.55 0.00 0.00 0.00 174.94 174.82 3gg9 s SER 85 N 1.25 5.59 -0.13 3.58 0.15 0.28 0.35 113.70 124.76 3gg9 s SER 85 Ca -0.01 -1.05 -0.20 0.00 0.70 0.00 0.00 55.95 55.39 3gg9 s SER 85 Cb -0.16 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.14 3gg9 s SER 85 CO -0.07 -0.37 0.56 -1.58 1.20 0.00 0.00 173.24 172.98 3gg9 s GLN 86 N 1.50 4.31 0.10 5.44 2.00 0.40 -1.78 119.66 131.64 3gg9 s GLN 86 Ca 0.01 0.57 -0.30 0.00 -2.00 0.00 0.00 55.36 53.64 3gg9 s GLN 86 Cb -0.19 -3.48 -0.06 0.00 0.80 0.00 0.00 33.01 30.07 3gg9 s GLN 86 CO 0.05 0.01 1.10 0.95 -0.50 0.00 0.00 175.29 176.91 3gg9 s THR 87 N 1.07 4.14 0.00 -0.34 -4.23 -1.12 -2.12 115.64 113.04 3gg9 s THR 87 Ca 0.29 1.67 0.00 0.00 -1.18 0.00 0.00 61.69 62.47 3gg9 s THR 87 Cb -0.16 -4.07 0.00 0.00 1.34 0.00 0.00 72.50 69.61 3gg9 s THR 87 CO 0.12 0.20 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 3gg9 n GLY 88 N 2.61 -1.72 3.89 3.99 0.00 -1.26 -3.91 105.19 108.80 3gg9 n GLY 88 Ca 0.05 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 3gg9 n GLY 88 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gg9 s ARG 89 N 0.00 3.40 -0.20 1.61 1.70 -1.26 -1.08 118.95 123.13 3gg9 s ARG 89 Ca 0.00 0.37 -0.03 0.00 -0.47 0.00 0.00 55.73 55.60 3gg9 s ARG 89 Cb 0.00 -2.23 -0.01 0.00 -0.57 0.00 0.00 34.95 32.14 3gg9 s ARG 89 CO 0.00 -0.47 -0.08 0.08 -1.08 0.00 0.00 175.30 173.75 3gg9 s VAL 90 N -2.98 3.16 -0.03 4.99 1.01 -1.26 -4.90 120.40 120.40 3gg9 s VAL 90 Ca 0.52 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.73 3gg9 s VAL 90 Cb -0.11 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 3gg9 s VAL 90 CO 0.48 0.46 0.55 -0.94 0.00 0.00 0.00 175.10 175.65 3gg9 s SER 91 N 1.25 6.89 -0.09 3.32 1.04 -1.26 -4.95 113.70 119.90 3gg9 s SER 91 Ca 0.03 1.06 0.11 0.00 0.48 0.00 0.00 55.95 57.63 3gg9 s SER 91 Cb -0.14 -2.33 0.48 0.00 0.10 0.00 0.00 66.02 64.13 3gg9 s SER 91 CO -0.03 0.10 1.32 0.54 0.98 0.00 0.00 173.24 176.15 3gg9 n ARG 92 N 2.87 2.95 -1.52 4.02 5.12 -1.26 -4.76 116.66 124.08 3gg9 n ARG 92 Ca -0.08 -1.89 -0.30 0.00 -1.93 0.00 0.00 57.85 53.65 3gg9 n ARG 92 Cb 0.51 -1.75 0.09 0.00 -1.16 0.00 0.00 32.46 30.16 3gg9 n ARG 92 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 3gg9 s ASP 93 N -0.70 4.44 0.50 0.55 3.84 -1.26 -4.95 116.67 119.09 3gg9 s ASP 93 Ca 0.34 1.34 0.20 0.00 -0.00 0.00 0.00 52.55 54.43 3gg9 s ASP 93 Cb 0.23 -2.08 1.29 0.00 -1.38 0.00 0.00 42.92 40.98 3gg9 s ASP 93 CO 0.15 -2.01 2.08 0.00 -0.00 0.00 0.00 175.17 175.39 3gg9 h ALA 94 N -1.11 1.60 -3.00 2.11 0.00 -2.00 -3.34 119.26 113.52 3gg9 h ALA 94 Ca -0.47 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3gg9 h ALA 94 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3gg9 h ALA 94 CO 0.59 0.14 0.00 0.41 0.00 0.00 0.00 179.25 180.39 3gg9 n GLY 95 N -1.04 -0.16 1.60 0.00 0.00 -1.26 -5.08 105.19 99.24 3gg9 n GLY 95 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3gg9 n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gg9 n GLY 96 N 2.10 -4.82 0.00 -0.02 0.00 -1.26 -4.83 105.19 96.36 3gg9 n GLY 96 Ca 0.00 -0.37 0.08 0.00 0.00 0.00 0.00 46.02 45.73 3gg9 n GLY 96 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3gg9 n HIS 97 N 1.27 0.00 -4.56 1.61 1.44 -1.26 -4.45 115.22 109.26 3gg9 n HIS 97 Ca 0.00 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.38 3gg9 n HIS 97 Cb 0.00 -0.39 -0.16 0.00 0.12 0.00 0.00 29.99 29.56 3gg9 n HIS 97 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3gg9 s ILE 98 N -2.79 2.31 -0.82 0.61 1.01 -1.26 0.28 121.20 120.55 3gg9 s ILE 98 Ca 0.11 -0.89 -0.25 0.00 0.00 0.00 0.00 60.65 59.62 3gg9 s ILE 98 Cb 0.11 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 3gg9 s ILE 98 CO 0.27 0.53 1.78 -0.62 0.00 0.00 0.00 174.94 176.90 3gg9 s ASP 99 N 0.86 5.50 0.31 3.58 -1.08 -0.51 -4.83 116.67 120.49 3gg9 s ASP 99 Ca -0.05 -0.48 0.05 0.00 -0.52 0.00 0.00 52.55 51.55 3gg9 s ASP 99 Cb -0.15 -2.55 0.50 0.00 -1.46 0.00 0.00 42.92 39.25 3gg9 s ASP 99 CO -0.02 -2.35 1.75 -0.07 0.52 0.00 0.00 175.17 175.00 3gg9 h LEU 100 N 16.16 0.35 -0.37 -1.34 4.07 -1.94 -2.36 115.31 129.88 3gg9 h LEU 100 Ca -0.03 -0.12 -0.03 0.00 0.08 0.00 0.00 57.88 57.78 3gg9 h LEU 100 Cb 1.06 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.69 3gg9 h LEU 100 CO 1.25 0.63 0.09 -0.33 -1.08 0.00 0.00 178.44 179.01 3gg9 h GLU 101 N 0.31 0.59 -1.01 1.13 3.07 -2.00 -1.61 114.58 115.06 3gg9 h GLU 101 Ca 0.04 -0.14 0.02 0.00 -0.50 0.00 0.00 59.36 58.79 3gg9 h GLU 101 Cb 0.67 -0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 28.44 3gg9 h GLU 101 CO 0.05 0.62 0.66 0.00 -1.40 0.00 0.00 179.01 178.94 3gg9 h ALA 102 N 0.94 1.30 -0.35 3.43 0.00 -1.93 -1.01 119.26 121.64 3gg9 h ALA 102 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gg9 h ALA 102 Cb 0.30 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3gg9 h ALA 102 CO 0.00 0.62 0.23 0.00 0.00 0.00 0.00 179.25 180.09 3gg9 h THR 104 N 0.46 0.96 -0.67 0.00 2.02 -0.92 0.26 112.91 115.03 3gg9 h THR 104 Ca 0.13 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.43 3gg9 h THR 104 Cb -0.05 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 3gg9 h THR 104 CO -0.03 0.00 0.45 0.44 0.37 0.00 0.00 175.52 176.75 3gg9 h ASP 105 N -0.04 0.38 -0.12 4.18 3.32 -1.00 -0.74 116.42 122.40 3gg9 h ASP 105 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3gg9 h ASP 105 Cb 0.04 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3gg9 h ASP 105 CO -0.00 0.22 0.00 0.29 -1.72 0.00 0.00 179.24 178.02 3gg9 n LYS 106 N -4.47 1.95 -1.56 3.56 4.01 -0.64 -4.95 118.16 116.06 3gg9 n LYS 106 Ca 0.12 -1.41 -0.12 0.00 -0.51 0.00 0.00 58.31 56.39 3gg9 n LYS 106 Cb 0.44 -1.46 -0.04 0.00 -0.51 0.00 0.00 35.03 33.47 3gg9 n LYS 106 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3gg9 n GLY 107 N 1.25 0.93 3.63 0.72 0.00 -0.28 -5.01 105.19 106.42 3gg9 n GLY 107 Ca 0.17 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 3gg9 n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gg9 s VAL 108 N -2.47 5.00 0.13 1.61 1.01 0.83 -4.88 120.40 121.64 3gg9 s VAL 108 Ca 0.00 1.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.80 3gg9 s VAL 108 Cb 0.00 -3.92 -0.07 0.00 0.00 0.00 0.00 36.38 32.39 3gg9 s VAL 108 CO 0.00 0.05 0.92 0.68 0.00 0.00 0.00 175.10 176.75 3gg9 s VAL 109 N 2.37 4.43 -0.24 2.92 -7.23 -0.58 -4.12 120.40 117.95 3gg9 s VAL 109 Ca 0.26 2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 62.36 3gg9 s VAL 109 Cb -0.16 -4.29 -0.03 0.00 0.56 0.00 0.00 36.38 32.47 3gg9 s VAL 109 CO 0.09 0.37 0.05 -0.69 -0.31 0.00 0.00 175.10 174.61 3gg9 s VAL 110 N -0.31 4.20 -0.24 1.32 1.01 -1.26 -0.28 120.40 124.84 3gg9 s VAL 110 Ca 0.44 -0.21 -0.12 0.00 0.00 0.00 0.00 61.98 62.09 3gg9 s VAL 110 Cb -0.23 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 3gg9 s VAL 110 CO 0.29 0.36 0.23 -0.76 0.00 0.00 0.00 175.10 175.22 3gg9 s LEU 111 N 1.52 4.11 -0.05 3.92 1.43 0.15 0.41 118.68 130.17 3gg9 s LEU 111 Ca 0.06 0.20 -0.18 0.00 -1.03 0.00 0.00 54.13 53.18 3gg9 s LEU 111 Cb -0.15 -2.21 -0.05 0.00 0.03 0.00 0.00 46.19 43.81 3gg9 s LEU 111 CO 0.03 0.01 0.51 -0.70 0.23 0.00 0.00 176.35 176.43 3gg9 s GLU 112 N 1.21 4.25 0.00 1.70 2.12 -0.16 -0.45 118.70 127.37 3gg9 s GLU 112 Ca 0.10 0.55 0.00 0.00 0.36 0.00 0.00 54.97 55.98 3gg9 s GLU 112 Cb -0.14 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.89 3gg9 s GLU 112 CO 0.06 0.33 0.00 0.41 -0.54 0.00 0.00 175.26 175.52 3gg9 n GLY 113 N 2.69 1.79 3.31 -1.50 0.00 -0.24 -4.86 105.19 106.39 3gg9 n GLY 113 Ca -0.08 -2.08 -0.28 0.00 0.00 0.00 0.00 46.02 43.58 3gg9 n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gg9 s LYS 114 N -0.34 1.51 0.51 1.61 1.02 -1.25 -4.00 119.74 118.79 3gg9 s LYS 114 Ca 0.00 -1.10 0.08 0.00 0.02 0.00 0.00 55.97 54.97 3gg9 s LYS 114 Cb 0.00 -1.73 0.03 0.00 -0.52 0.00 0.00 37.83 35.62 3gg9 s LYS 114 CO 0.00 0.43 0.53 0.20 -0.92 0.00 0.00 175.35 175.59 3gg9 s GLY 115 N -1.43 2.08 -0.04 -3.33 0.00 -1.26 -4.05 107.32 99.28 3gg9 s GLY 115 Ca 0.10 -1.74 -0.03 0.00 0.00 0.00 0.00 44.72 43.05 3gg9 s GLY 115 CO 0.03 -1.76 0.11 -0.45 0.00 0.00 0.00 173.10 171.03 3gg9 s SER 116 N -4.36 -0.09 0.05 1.64 0.15 -1.26 -5.06 113.70 104.76 3gg9 s SER 116 Ca 0.48 0.21 0.28 0.00 0.70 0.00 0.00 55.95 57.63 3gg9 s SER 116 Cb -0.04 0.18 1.10 0.00 -1.71 0.00 0.00 66.02 65.56 3gg9 s SER 116 CO 0.29 -0.07 1.87 -0.81 1.20 0.00 0.00 173.24 175.72 3gg9 n PRO 117 N 3.37 0.06 0.21 5.44 -0.04 -1.26 -4.51 135.00 138.27 3gg9 n PRO 117 Ca -0.16 0.05 -0.13 0.00 -0.04 0.00 0.00 63.50 63.21 3gg9 n PRO 117 Cb 0.57 -1.57 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 3gg9 n PRO 117 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3gg9 h VAL 118 N 0.00 0.45 -0.22 0.52 2.07 -1.97 -2.08 116.25 115.02 3gg9 h VAL 118 Ca 0.00 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.01 3gg9 h VAL 118 Cb 0.55 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 3gg9 h VAL 118 CO 0.00 0.08 0.06 0.00 0.02 0.00 0.00 177.57 177.73 3gg9 h ALA 119 N -0.59 0.23 0.00 1.67 0.00 -1.83 0.02 119.26 118.76 3gg9 h ALA 119 Ca -0.06 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3gg9 h ALA 119 Cb 0.56 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3gg9 h ALA 119 CO 0.10 -0.37 -0.27 -1.00 0.00 0.00 0.00 179.25 177.71 3gg9 h PRO 120 N 0.15 0.00 -0.43 0.00 0.13 -1.39 -0.89 132.00 129.58 3gg9 h PRO 120 Ca 0.10 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.08 3gg9 h PRO 120 Cb 0.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.20 3gg9 h PRO 120 CO -0.11 0.27 -0.31 0.00 -0.23 0.00 0.00 178.00 177.62 3gg9 h ALA 121 N 1.73 0.63 -0.31 -0.56 0.00 -0.86 -0.67 119.26 119.23 3gg9 h ALA 121 Ca -0.00 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.33 3gg9 h ALA 121 Cb 0.49 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3gg9 h ALA 121 CO 0.04 0.68 -0.41 0.93 0.00 0.00 0.00 179.25 180.48 3gg9 h GLU 122 N 0.81 0.76 -0.82 0.00 5.08 -0.77 -2.05 114.58 117.59 3gg9 h GLU 122 Ca 0.08 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 3gg9 h GLU 122 Cb 0.90 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 3gg9 h GLU 122 CO 0.08 1.03 0.34 1.25 -1.00 0.00 0.00 179.01 180.71 3gg9 h LEU 123 N 0.62 1.11 -0.22 1.33 7.12 -1.10 1.00 115.31 125.17 3gg9 h LEU 123 Ca 0.05 -0.17 0.03 0.00 0.13 0.00 0.00 57.88 57.92 3gg9 h LEU 123 Cb 0.97 -0.29 -0.03 0.00 -0.53 0.00 0.00 40.66 40.78 3gg9 h LEU 123 CO 0.09 0.97 0.03 0.74 -0.13 0.00 0.00 178.44 180.14 3gg9 h THR 124 N 1.18 0.87 -0.60 1.05 2.02 -0.87 -1.13 112.91 115.44 3gg9 h THR 124 Ca 0.27 -0.04 -0.08 0.00 0.77 0.00 0.00 66.41 67.34 3gg9 h THR 124 Cb 0.20 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 3gg9 h THR 124 CO -0.03 0.02 0.07 -0.25 0.37 0.00 0.00 175.52 175.71 3gg9 h TRP 125 N 0.11 1.04 -0.76 3.16 2.91 -0.80 -0.90 115.95 120.71 3gg9 h TRP 125 Ca 0.10 -0.14 0.09 0.00 1.13 0.00 0.00 58.89 60.07 3gg9 h TRP 125 Cb 0.11 -0.29 -0.07 0.00 -0.51 0.00 0.00 29.16 28.41 3gg9 h TRP 125 CO -0.16 0.90 0.41 0.00 -1.03 0.00 0.00 178.44 178.56 3gg9 h ALA 126 N 1.15 1.06 -0.42 2.65 0.00 -0.54 -0.50 119.26 122.66 3gg9 h ALA 126 Ca 0.18 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3gg9 h ALA 126 Cb 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3gg9 h ALA 126 CO 0.01 0.04 -0.11 -0.07 0.00 0.00 0.00 179.25 179.12 3gg9 h LEU 127 N 0.71 0.83 -0.49 0.00 3.38 -0.82 0.36 115.31 119.28 3gg9 h LEU 127 Ca 0.36 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3gg9 h LEU 127 Cb 0.33 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 3gg9 h LEU 127 CO -0.24 1.01 0.16 0.58 0.09 0.00 0.00 178.44 180.04 3gg9 h VAL 128 N 0.65 0.82 -0.20 1.22 2.07 -0.68 0.97 116.25 121.09 3gg9 h VAL 128 Ca 0.11 -0.11 -0.15 0.00 0.82 0.00 0.00 66.70 67.36 3gg9 h VAL 128 Cb 0.65 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3gg9 h VAL 128 CO 0.04 0.06 -0.48 0.24 0.02 0.00 0.00 177.57 177.46 3gg9 h MET 129 N 0.33 0.68 -0.75 1.57 2.86 -1.03 -0.51 114.93 118.08 3gg9 h MET 129 Ca 0.23 -0.46 0.01 0.00 -2.06 0.00 0.00 59.70 57.42 3gg9 h MET 129 Cb 0.26 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.95 3gg9 h MET 129 CO -0.25 1.08 0.49 0.00 1.06 0.00 0.00 176.91 179.30 3gg9 h ALA 130 N 0.59 0.96 -0.04 6.32 0.00 -0.76 -1.42 119.26 124.91 3gg9 h ALA 130 Ca -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3gg9 h ALA 130 Cb 1.09 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3gg9 h ALA 130 CO 0.10 0.36 -0.06 0.00 0.00 0.00 0.00 179.25 179.65 3gg9 h ALA 131 N 1.28 0.06 0.00 0.00 0.00 -0.74 -0.55 119.26 119.31 3gg9 h ALA 131 Ca 0.28 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3gg9 h ALA 131 Cb -0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3gg9 h ALA 131 CO -0.07 -0.13 -0.06 1.96 0.00 0.00 0.00 179.25 180.95 3gg9 h GLN 132 N -0.39 0.00 -0.47 0.00 1.08 -0.93 -1.75 115.11 112.66 3gg9 h GLN 132 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3gg9 h GLN 132 Cb 0.60 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 3gg9 h GLN 132 CO 0.01 0.06 0.00 0.54 -0.95 0.00 0.00 178.83 178.50 3gg9 n ARG 133 N -3.49 2.61 -3.82 1.46 5.12 -0.55 -1.43 116.66 116.57 3gg9 n ARG 133 Ca -0.02 -2.24 -0.29 0.00 -1.93 0.00 0.00 57.85 53.37 3gg9 n ARG 133 Cb 0.19 -1.40 0.03 0.00 -1.16 0.00 0.00 32.46 30.12 3gg9 n ARG 133 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3gg9 n ARG 134 N 1.06 -5.83 0.23 5.56 3.00 -0.58 -4.67 116.66 115.43 3gg9 n ARG 134 Ca 0.17 0.64 -0.15 0.00 -0.01 0.00 0.00 57.85 58.50 3gg9 n ARG 134 Cb 0.51 -5.55 -0.08 0.00 0.00 0.00 0.00 32.46 27.33 3gg9 n ARG 134 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 3gg9 h ILE 135 N -2.13 0.61 -0.94 0.55 1.08 -1.42 -0.01 117.51 115.25 3gg9 h ILE 135 Ca -0.57 -0.15 0.01 0.00 -0.39 0.00 0.00 64.86 63.75 3gg9 h ILE 135 Cb 1.37 0.69 -0.05 0.00 -3.07 0.00 0.00 36.82 35.76 3gg9 h ILE 135 CO 0.65 0.03 0.61 -0.65 -0.69 0.00 0.00 178.15 178.10 3gg9 h PRO 136 N -0.63 1.25 -0.15 2.37 0.11 -1.91 0.56 132.00 133.61 3gg9 h PRO 136 Ca -0.06 -0.09 0.01 0.00 0.11 0.00 0.00 66.00 65.98 3gg9 h PRO 136 Cb 0.46 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 3gg9 h PRO 136 CO 0.09 0.84 0.05 1.96 -0.21 0.00 0.00 178.00 180.73 3gg9 h GLN 137 N 1.28 0.12 -0.52 1.05 7.50 -1.78 -0.55 115.11 122.22 3gg9 h GLN 137 Ca 0.34 -0.01 -0.07 0.00 0.50 0.00 0.00 58.65 59.42 3gg9 h GLN 137 Cb -0.12 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.36 3gg9 h GLN 137 CO -0.07 0.08 0.07 1.88 -1.50 0.00 0.00 178.83 179.29 3gg9 h TYR 138 N 0.13 0.93 -0.26 2.96 0.05 -0.66 -2.01 116.97 118.11 3gg9 h TYR 138 Ca 0.06 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 3gg9 h TYR 138 Cb 0.03 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.51 3gg9 h TYR 138 CO -0.11 0.84 0.14 0.28 -1.05 0.00 0.00 178.16 178.27 3gg9 h VAL 139 N 0.75 1.13 -0.44 -2.88 2.07 -0.74 -1.40 116.25 114.74 3gg9 h VAL 139 Ca 0.16 -0.35 -0.13 0.00 0.82 0.00 0.00 66.70 67.19 3gg9 h VAL 139 Cb 0.42 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3gg9 h VAL 139 CO 0.01 0.13 -0.25 0.00 0.02 0.00 0.00 177.57 177.48 3gg9 h ALA 140 N 1.01 0.71 -0.42 1.67 0.00 -1.08 -1.99 119.26 119.17 3gg9 h ALA 140 Ca 0.09 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 3gg9 h ALA 140 Cb 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3gg9 h ALA 140 CO -0.01 0.67 0.12 0.77 0.00 0.00 0.00 179.25 180.79 3gg9 h SER 141 N 0.80 0.63 -0.55 0.00 0.02 -1.31 -2.30 113.55 110.83 3gg9 h SER 141 Ca 0.10 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 3gg9 h SER 141 Cb 0.82 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 3gg9 h SER 141 CO 0.07 0.68 0.31 0.25 -1.14 0.00 0.00 176.83 177.00 3gg9 h LEU 142 N 0.54 0.67 -2.01 5.07 5.85 -1.10 0.39 115.31 124.72 3gg9 h LEU 142 Ca 0.13 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.81 3gg9 h LEU 142 Cb 0.29 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3gg9 h LEU 142 CO -0.00 0.56 0.10 0.11 -0.34 0.00 0.00 178.44 178.87 3gg9 h LYS 143 N 0.73 0.00 -0.27 1.25 1.57 -1.23 -1.10 116.57 117.52 3gg9 h LYS 143 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3gg9 h LYS 143 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3gg9 h LYS 143 CO -0.03 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.57 3gg9 n HIS 144 N -4.47 0.35 -0.29 -1.35 8.25 -0.58 -4.93 115.22 112.19 3gg9 n HIS 144 Ca 0.00 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 3gg9 n HIS 144 Cb 0.23 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.34 3gg9 n HIS 144 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gg9 n GLY 145 N 1.25 0.85 3.54 -1.41 0.00 -0.42 -5.06 105.19 103.94 3gg9 n GLY 145 Ca 0.17 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3gg9 n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gg9 s ALA 146 N -2.00 3.39 -0.29 4.61 0.00 0.02 -4.99 121.76 122.50 3gg9 s ALA 146 Ca 0.00 -1.10 -0.21 0.00 0.00 0.00 0.00 51.96 50.65 3gg9 s ALA 146 Cb 0.00 -2.32 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 3gg9 s ALA 146 CO 0.00 -0.51 0.64 -0.46 0.00 0.00 0.00 175.76 175.43 3gg9 s TRP 147 N 1.68 3.23 -1.05 0.00 -0.11 -1.26 -2.93 118.94 118.49 3gg9 s TRP 147 Ca 0.07 0.65 -0.01 0.00 1.22 0.00 0.00 56.10 58.03 3gg9 s TRP 147 Cb -0.16 -2.98 -0.01 0.00 -1.50 0.00 0.00 33.47 28.82 3gg9 s TRP 147 CO 0.08 -0.45 0.88 0.94 -4.62 0.00 0.00 176.95 173.78 3gg9 n GLN 148 N 5.88 -5.20 -4.18 5.86 7.27 -1.26 -5.01 117.38 120.73 3gg9 n GLN 148 Ca -0.00 0.77 -0.27 0.00 0.07 0.00 0.00 57.00 57.56 3gg9 n GLN 148 Cb 0.49 -5.50 -0.17 0.00 2.41 0.00 0.00 30.24 27.47 3gg9 n GLN 148 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 3gg9 s GLN 149 N -5.04 1.74 0.23 3.69 -1.52 -1.26 -4.99 119.66 112.51 3gg9 s GLN 149 Ca 0.08 -0.37 0.22 0.00 -1.95 0.00 0.00 55.36 53.34 3gg9 s GLN 149 Cb -0.01 -1.62 0.04 0.00 -0.22 0.00 0.00 33.01 31.20 3gg9 s GLN 149 CO 0.66 -0.15 1.13 0.66 -0.25 0.00 0.00 175.29 177.33 3gg9 h SER 150 N 7.71 0.00 -0.18 5.90 4.64 -1.82 -3.37 113.55 126.42 3gg9 h SER 150 Ca -0.31 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.93 3gg9 h SER 150 Cb 1.15 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.21 3gg9 h SER 150 CO 0.45 0.06 -0.07 0.61 -0.87 0.00 0.00 176.83 177.00 3gg9 n GLY 151 N 1.19 0.68 3.56 -0.77 0.00 -1.26 -4.51 105.19 104.07 3gg9 n GLY 151 Ca -0.00 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 3gg9 n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gg9 s LEU 152 N -0.88 3.51 -0.18 0.99 1.43 -1.26 -4.81 118.68 117.47 3gg9 s LEU 152 Ca 0.00 -1.47 0.16 0.00 -1.03 0.00 0.00 54.13 51.79 3gg9 s LEU 152 Cb 0.00 -2.57 0.66 0.00 0.03 0.00 0.00 46.19 44.31 3gg9 s LEU 152 CO 0.00 -1.50 1.57 2.29 0.23 0.00 0.00 176.35 178.94 3gg9 n LYS 153 N 8.88 3.82 -2.30 1.70 2.85 -1.26 -4.68 118.16 127.18 3gg9 n LYS 153 Ca 0.33 -2.94 -0.36 0.00 -1.05 0.00 0.00 58.31 54.30 3gg9 n LYS 153 Cb 0.51 -1.99 -0.01 0.00 -0.65 0.00 0.00 35.03 32.89 3gg9 n LYS 153 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 3gg9 s SER 154 N -1.30 6.00 0.02 -5.58 0.15 -1.26 -4.95 113.70 106.77 3gg9 s SER 154 Ca 0.47 2.20 0.23 0.00 0.70 0.00 0.00 55.95 59.55 3gg9 s SER 154 Cb 0.36 -2.59 0.11 0.00 -1.71 0.00 0.00 66.02 62.19 3gg9 s SER 154 CO 0.14 -1.03 1.11 0.35 1.20 0.00 0.00 173.24 175.01 3gg9 n THR 155 N -0.89 0.06 0.85 6.45 -2.24 -1.26 -3.97 114.28 113.27 3gg9 n THR 155 Ca 0.09 -0.09 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 3gg9 n THR 155 Cb 0.50 0.46 0.08 0.00 -2.10 0.00 0.00 70.33 69.26 3gg9 n THR 155 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3gg9 n THR 156 N -1.67 0.00 -1.98 4.28 -2.24 -1.26 -4.99 114.28 106.42 3gg9 n THR 156 Ca 0.04 -0.48 -0.33 0.00 -2.27 0.00 0.00 64.05 61.01 3gg9 n THR 156 Cb 0.37 1.40 0.02 0.00 -2.10 0.00 0.00 70.33 70.02 3gg9 n THR 156 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3gg9 s MET 157 N -1.74 3.24 0.71 -0.78 1.00 -1.25 -5.02 119.30 115.45 3gg9 s MET 157 Ca 0.23 1.20 -0.16 0.00 0.00 0.00 0.00 55.69 56.96 3gg9 s MET 157 Cb 0.17 -2.02 -0.01 0.00 0.00 0.00 0.00 34.83 32.97 3gg9 s MET 157 CO 0.28 -0.88 0.88 -2.30 0.00 0.00 0.00 175.02 173.00 3gg9 n PRO 158 N -2.16 0.49 -1.72 2.03 -0.02 -1.26 -4.90 135.00 127.45 3gg9 n PRO 158 Ca 0.09 0.22 -0.43 0.00 -2.02 0.00 0.00 63.50 61.36 3gg9 n PRO 158 Cb 0.53 -2.14 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 3gg9 n PRO 158 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3gg9 n PRO 159 N -1.60 2.54 -1.62 0.52 -0.04 -1.26 -2.18 135.00 131.36 3gg9 n PRO 159 Ca 0.12 0.90 -0.17 0.00 -0.04 0.00 0.00 63.50 64.31 3gg9 n PRO 159 Cb 0.49 -2.66 -0.07 0.00 -0.04 0.00 0.00 33.50 31.23 3gg9 n PRO 159 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3gg9 n ASN 160 N 2.28 -5.09 0.29 3.54 3.02 -1.26 -4.88 115.26 113.15 3gg9 n ASN 160 Ca 0.10 0.37 0.17 0.00 -0.03 0.00 0.00 54.58 55.18 3gg9 n ASN 160 Cb 0.35 -4.12 0.84 0.00 -0.61 0.00 0.00 39.78 36.23 3gg9 n ASN 160 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3gg9 h PHE 161 N 0.00 0.00 0.00 3.10 3.57 -1.79 -1.95 116.94 119.86 3gg9 h PHE 161 Ca -0.36 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.14 3gg9 h PHE 161 Cb 1.15 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.89 3gg9 h PHE 161 CO 0.48 0.06 0.00 0.41 -2.23 0.00 0.00 178.31 177.03 3gg9 n GLY 162 N -0.55 -1.23 3.97 2.40 0.00 -1.26 -4.77 105.19 103.75 3gg9 n GLY 162 Ca -0.01 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 3gg9 n GLY 162 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gg9 s ILE 163 N -3.06 4.73 1.07 -0.61 -4.36 -0.74 -4.56 121.20 113.68 3gg9 s ILE 163 Ca 0.09 -0.91 -0.13 0.00 -0.26 0.00 0.00 60.65 59.44 3gg9 s ILE 163 Cb 0.12 -3.67 0.23 0.00 1.25 0.00 0.00 42.46 40.39 3gg9 s ILE 163 CO 0.38 -0.29 1.07 -0.83 0.24 0.00 0.00 174.94 175.51 3gg9 s GLY 164 N -4.07 1.55 -0.03 6.27 0.00 -1.26 -4.95 107.32 104.83 3gg9 s GLY 164 Ca 0.39 -0.30 -0.01 0.00 0.00 0.00 0.00 44.72 44.81 3gg9 s GLY 164 CO 0.31 0.36 0.05 0.50 0.00 0.00 0.00 173.10 174.32 3gg9 s ARG 165 N -4.78 -0.03 0.66 2.90 0.52 -0.51 -5.00 118.95 112.70 3gg9 s ARG 165 Ca 0.67 0.24 -0.14 0.00 -0.52 0.00 0.00 55.73 55.98 3gg9 s ARG 165 Cb -0.21 -0.28 -0.00 0.00 0.52 0.00 0.00 34.95 34.98 3gg9 s ARG 165 CO 0.60 -0.20 1.08 0.14 0.02 0.00 0.00 175.30 176.95 3gg9 s VAL 166 N 1.27 3.60 -0.10 3.52 -7.23 -1.26 -4.66 120.40 115.53 3gg9 s VAL 166 Ca -0.07 0.67 -0.00 0.00 -1.81 0.00 0.00 61.98 60.76 3gg9 s VAL 166 Cb -0.13 -3.22 -0.25 0.00 0.56 0.00 0.00 36.38 33.34 3gg9 s VAL 166 CO -0.03 -0.54 0.43 0.18 -0.31 0.00 0.00 175.10 174.83 3gg9 n LEU 167 N -2.60 2.10 -4.64 1.32 4.77 -1.26 -4.74 117.00 111.95 3gg9 n LEU 167 Ca 0.09 0.25 -0.51 0.00 -0.03 0.00 0.00 56.01 55.81 3gg9 n LEU 167 Cb 0.53 -0.72 -0.06 0.00 -2.33 0.00 0.00 43.42 40.84 3gg9 n LEU 167 CO 0.50 0.72 1.11 1.17 -1.33 0.00 0.00 177.39 179.56 3gg9 n LYS 168 N -3.34 1.48 0.00 3.23 4.81 -1.23 -0.62 118.16 122.49 3gg9 n LYS 168 Ca -0.28 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 3gg9 n LYS 168 Cb 1.05 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.87 3gg9 n LYS 168 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gg9 n GLY 169 N 3.23 2.26 3.92 3.14 0.00 0.13 -4.94 105.19 112.93 3gg9 n GLY 169 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 3gg9 n GLY 169 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gg9 s GLN 170 N -0.32 3.23 -0.18 1.61 -1.52 0.21 -4.68 119.66 118.02 3gg9 s GLN 170 Ca 0.00 -0.05 -0.22 0.00 -1.95 0.00 0.00 55.36 53.13 3gg9 s GLN 170 Cb 0.00 -2.40 -0.02 0.00 -0.22 0.00 0.00 33.01 30.37 3gg9 s GLN 170 CO 0.00 -0.35 0.70 0.99 -0.25 0.00 0.00 175.29 176.38 3gg9 s THR 171 N -2.75 4.98 -0.40 -0.19 2.01 -1.26 -0.51 115.64 117.51 3gg9 s THR 171 Ca 0.49 1.36 -0.14 0.00 0.31 0.00 0.00 61.69 63.71 3gg9 s THR 171 Cb -0.10 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 68.41 3gg9 s THR 171 CO 0.43 0.09 0.27 -0.22 -0.69 0.00 0.00 174.62 174.50 3gg9 s LEU 172 N 1.90 4.98 -0.13 4.42 2.96 0.48 -0.76 118.68 132.52 3gg9 s LEU 172 Ca 0.33 -0.90 -0.22 0.00 -0.22 0.00 0.00 54.13 53.11 3gg9 s LEU 172 Cb -0.16 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 3gg9 s LEU 172 CO 0.12 -0.42 0.65 -0.83 -1.32 0.00 0.00 176.35 174.54 3gg9 s GLY 173 N 1.65 2.33 -0.25 7.98 0.00 0.90 0.16 107.32 120.09 3gg9 s GLY 173 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.69 3gg9 s GLY 173 CO 0.09 1.19 -0.09 -0.42 0.00 0.00 0.00 173.10 173.88 3gg9 s ILE 174 N 1.28 2.53 -0.59 0.90 -1.09 0.93 -0.92 121.20 124.23 3gg9 s ILE 174 Ca 0.32 -1.31 -0.18 0.00 -2.23 0.00 0.00 60.65 57.26 3gg9 s ILE 174 Cb -0.16 -2.36 0.11 0.00 -1.58 0.00 0.00 42.46 38.46 3gg9 s ILE 174 CO 0.13 0.10 0.67 0.12 -1.23 0.00 0.00 174.94 174.74 3gg9 s PHE 175 N 1.22 3.06 0.00 3.97 5.99 -0.37 0.04 117.98 131.90 3gg9 s PHE 175 Ca -0.04 -1.06 0.00 0.00 0.00 0.00 0.00 56.93 55.84 3gg9 s PHE 175 Cb -0.18 -3.98 0.00 0.00 0.00 0.00 0.00 43.02 38.87 3gg9 s PHE 175 CO -0.05 -1.24 0.00 0.41 -0.00 0.00 0.00 175.22 174.34 3gg9 n GLY 176 N 5.25 1.93 2.49 13.12 0.00 0.29 0.69 105.19 128.95 3gg9 n GLY 176 Ca -0.09 -1.29 -0.27 0.00 0.00 0.00 0.00 46.02 44.37 3gg9 n GLY 176 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gg9 n TYR 177 N 2.48 3.38 -0.31 1.61 9.36 -1.26 -4.37 117.16 128.05 3gg9 n TYR 177 Ca 0.00 -3.12 0.00 0.00 3.32 0.00 0.00 57.90 58.10 3gg9 n TYR 177 Cb 0.00 -0.09 0.00 0.00 -0.63 0.00 0.00 39.34 38.62 3gg9 n TYR 177 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3gg9 n GLY 178 N -0.47 0.77 0.24 2.98 0.00 -1.26 -4.63 105.19 102.82 3gg9 n GLY 178 Ca 0.38 -1.63 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 3gg9 n GLY 178 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gg9 h LYS 179 N 0.00 0.83 -0.16 1.61 1.57 -1.95 -1.55 116.57 116.93 3gg9 h LYS 179 Ca 0.00 -0.35 -0.05 0.00 -1.87 0.00 0.00 60.65 58.37 3gg9 h LYS 179 Cb 0.00 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 3gg9 h LYS 179 CO 0.00 0.99 -0.11 0.82 -0.57 0.00 0.00 179.45 180.58 3gg9 h ILE 180 N 0.65 1.33 -0.72 1.86 2.04 -1.93 -2.63 117.51 118.11 3gg9 h ILE 180 Ca 0.09 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.76 3gg9 h ILE 180 Cb 0.72 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 3gg9 h ILE 180 CO 0.05 0.36 0.46 1.23 0.00 0.00 0.00 178.15 180.25 3gg9 h GLY 181 N 0.02 1.02 1.00 5.37 0.00 -1.74 -1.42 103.07 107.30 3gg9 h GLY 181 Ca 0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 3gg9 h GLY 181 CO 0.03 0.38 0.34 1.46 0.00 0.00 0.00 176.54 178.75 3gg9 h GLN 182 N 0.98 0.87 -0.39 4.80 4.20 -1.25 0.70 115.11 125.03 3gg9 h GLN 182 Ca 0.26 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 3gg9 h GLN 182 Cb -0.09 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.50 3gg9 h GLN 182 CO -0.05 0.67 0.07 -0.07 -0.67 0.00 0.00 178.83 178.77 3gg9 h LEU 183 N 0.85 0.61 -0.73 1.46 3.38 -1.00 -2.40 115.31 117.49 3gg9 h LEU 183 Ca 0.22 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3gg9 h LEU 183 Cb 0.05 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3gg9 h LEU 183 CO -0.03 0.71 -0.02 0.58 0.09 0.00 0.00 178.44 179.77 3gg9 h VAL 184 N 0.49 1.26 -0.59 1.22 2.07 -0.99 -1.39 116.25 118.31 3gg9 h VAL 184 Ca 0.12 -1.13 0.06 0.00 0.82 0.00 0.00 66.70 66.58 3gg9 h VAL 184 Cb 0.35 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 3gg9 h VAL 184 CO 0.01 0.40 0.29 0.00 0.02 0.00 0.00 177.57 178.29 3gg9 h ALA 185 N 1.09 0.78 -0.98 1.67 0.00 -0.81 -1.01 119.26 120.00 3gg9 h ALA 185 Ca 0.16 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.15 3gg9 h ALA 185 Cb 0.54 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 3gg9 h ALA 185 CO 0.03 -0.06 0.64 0.78 0.00 0.00 0.00 179.25 180.63 3gg9 h GLY 186 N 0.55 1.44 1.01 0.00 0.00 -0.76 -0.85 103.07 104.46 3gg9 h GLY 186 Ca 0.27 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 3gg9 h GLY 186 CO -0.20 0.38 -0.02 -0.97 0.00 0.00 0.00 176.54 175.73 3gg9 h TYR 187 N 1.19 0.95 -0.42 5.60 0.99 -0.79 -1.62 116.97 122.87 3gg9 h TYR 187 Ca 0.40 -0.17 0.06 0.00 2.00 0.00 0.00 58.73 61.02 3gg9 h TYR 187 Cb 0.08 -0.24 -0.05 0.00 1.00 0.00 0.00 36.73 37.51 3gg9 h TYR 187 CO -0.00 0.90 0.13 0.78 -0.00 0.00 0.00 178.16 179.97 3gg9 h GLY 188 N 0.72 0.54 0.78 3.88 0.00 -0.62 -1.38 103.07 106.99 3gg9 h GLY 188 Ca 0.13 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.43 3gg9 h GLY 188 CO 0.03 0.01 0.19 -0.09 0.00 0.00 0.00 176.54 176.67 3gg9 h ARG 189 N 0.29 0.38 -0.16 4.80 2.43 -1.04 -0.29 114.38 120.78 3gg9 h ARG 189 Ca 0.20 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 3gg9 h ARG 189 Cb 0.20 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3gg9 h ARG 189 CO -0.22 0.25 0.11 0.00 -1.51 0.00 0.00 179.97 178.60 3gg9 h ALA 190 N 1.22 1.99 -0.28 2.80 0.00 -0.72 -1.02 119.26 123.26 3gg9 h ALA 190 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3gg9 h ALA 190 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3gg9 h ALA 190 CO -0.13 -0.02 0.00 1.19 0.00 0.00 0.00 179.25 180.29 3gg9 n PHE 191 N -4.51 0.37 -1.21 0.00 3.72 -0.57 -4.93 117.46 110.33 3gg9 n PHE 191 Ca 0.00 -0.19 -0.00 0.00 -0.05 0.00 0.00 57.45 57.21 3gg9 n PHE 191 Cb 0.15 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.69 3gg9 n PHE 191 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gg9 n GLY 192 N 1.14 0.40 3.88 1.37 0.00 -0.38 -3.53 105.19 108.06 3gg9 n GLY 192 Ca 0.15 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 3gg9 n GLY 192 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gg9 s MET 193 N -2.43 3.73 -0.59 1.61 -1.94 -0.16 -0.69 119.30 118.82 3gg9 s MET 193 Ca 0.00 0.43 -0.21 0.00 -1.71 0.00 0.00 55.69 54.20 3gg9 s MET 193 Cb 0.00 -2.38 0.07 0.00 2.01 0.00 0.00 34.83 34.53 3gg9 s MET 193 CO 0.00 -0.08 0.84 -0.80 -0.01 0.00 0.00 175.02 174.97 3gg9 s ASN 194 N -3.34 6.21 0.05 3.03 -0.87 0.33 -4.50 114.94 115.86 3gg9 s ASN 194 Ca 0.51 -0.96 -0.30 0.00 -1.57 0.00 0.00 52.86 50.54 3gg9 s ASN 194 Cb -0.10 -2.37 -0.05 0.00 -0.02 0.00 0.00 41.25 38.71 3gg9 s ASN 194 CO 0.34 -1.22 1.08 -0.69 -2.57 0.00 0.00 177.10 174.03 3gg9 s VAL 195 N 3.46 4.43 -0.18 1.60 1.01 -1.26 -0.39 120.40 129.07 3gg9 s VAL 195 Ca 0.20 1.78 0.01 0.00 0.00 0.00 0.00 61.98 63.97 3gg9 s VAL 195 Cb -0.18 -4.14 0.04 0.00 0.00 0.00 0.00 36.38 32.09 3gg9 s VAL 195 CO 0.11 0.16 -0.12 -0.22 0.00 0.00 0.00 175.10 175.04 3gg9 s LEU 196 N 0.85 2.08 -0.16 3.92 2.96 0.42 -3.67 118.68 125.08 3gg9 s LEU 196 Ca 0.54 -0.75 -0.06 0.00 -0.22 0.00 0.00 54.13 53.64 3gg9 s LEU 196 Cb -0.25 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 3gg9 s LEU 196 CO 0.29 -0.11 0.05 -0.69 -1.32 0.00 0.00 176.35 174.57 3gg9 s VAL 197 N 1.42 4.70 0.02 1.68 1.01 -0.20 -0.05 120.40 128.98 3gg9 s VAL 197 Ca 0.01 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 61.99 3gg9 s VAL 197 Cb -0.15 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 3gg9 s VAL 197 CO -0.09 0.49 -0.22 0.86 0.00 0.00 0.00 175.10 176.14 3gg9 s TRP 198 N 0.13 1.97 -1.55 5.22 -0.11 0.11 -1.09 118.94 123.61 3gg9 s TRP 198 Ca 0.04 -0.38 0.00 0.00 1.22 0.00 0.00 56.10 56.98 3gg9 s TRP 198 Cb -0.12 -1.21 0.00 0.00 -1.50 0.00 0.00 33.47 30.64 3gg9 s TRP 198 CO 0.01 0.05 0.00 0.41 -4.62 0.00 0.00 176.95 172.80 3gg9 n GLY 199 N 2.08 -0.64 3.69 5.86 0.00 -1.26 -0.55 105.19 114.36 3gg9 n GLY 199 Ca -0.16 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 3gg9 n GLY 199 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gg9 s ARG 200 N -0.62 1.05 0.21 1.61 0.52 -1.26 -4.72 118.95 115.73 3gg9 s ARG 200 Ca 0.00 0.97 -0.11 0.00 -0.52 0.00 0.00 55.73 56.08 3gg9 s ARG 200 Cb 0.00 -1.77 0.28 0.00 0.52 0.00 0.00 34.95 33.98 3gg9 s ARG 200 CO 0.00 -2.43 1.68 1.49 0.02 0.00 0.00 175.30 176.06 3gg9 h GLU 201 N -1.69 0.15 0.00 3.54 4.57 -2.01 -1.22 114.58 117.92 3gg9 h GLU 201 Ca -0.49 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 57.60 3gg9 h GLU 201 Cb 1.28 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.83 3gg9 h GLU 201 CO 0.52 0.10 -0.37 -0.91 -1.18 0.00 0.00 179.01 177.16 3gg9 h ASN 202 N 0.16 0.00 -0.17 1.04 2.35 -1.99 0.17 115.58 117.13 3gg9 h ASN 202 Ca 0.31 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.01 3gg9 h ASN 202 Cb 0.49 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 3gg9 h ASN 202 CO -0.48 0.37 -0.09 0.28 -1.65 0.00 0.00 177.43 175.87 3gg9 h SER 203 N 0.00 0.37 -0.49 5.81 0.02 -1.73 -2.46 113.55 115.06 3gg9 h SER 203 Ca -0.00 -0.42 -0.02 0.00 -0.84 0.00 0.00 61.79 60.51 3gg9 h SER 203 Cb 0.67 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 3gg9 h SER 203 CO 0.05 0.71 0.26 0.11 -1.14 0.00 0.00 176.83 176.81 3gg9 h LYS 204 N 0.03 0.73 -0.31 3.45 1.57 -0.72 -0.89 116.57 120.44 3gg9 h LYS 204 Ca 0.04 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 3gg9 h LYS 204 Cb 0.57 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3gg9 h LYS 204 CO 0.03 0.56 -0.19 1.49 -0.57 0.00 0.00 179.45 180.76 3gg9 h GLU 205 N 0.74 0.67 -0.80 3.15 4.57 -0.96 -0.87 114.58 121.09 3gg9 h GLU 205 Ca 0.19 -0.31 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 3gg9 h GLU 205 Cb 0.06 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 3gg9 h GLU 205 CO -0.03 0.91 0.32 0.00 -1.18 0.00 0.00 179.01 179.04 3gg9 h ARG 206 N 0.43 1.19 -0.06 1.92 3.08 -1.18 -1.50 114.38 118.25 3gg9 h ARG 206 Ca 0.06 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 3gg9 h ARG 206 Cb 0.74 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 3gg9 h ARG 206 CO 0.05 0.96 0.03 0.00 -1.07 0.00 0.00 179.97 179.94 3gg9 h ALA 207 N 1.17 0.08 -0.98 0.04 0.00 -1.02 -1.64 119.26 116.91 3gg9 h ALA 207 Ca 0.27 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.18 3gg9 h ALA 207 Cb 0.21 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 3gg9 h ALA 207 CO -0.02 -0.37 0.64 0.00 0.00 0.00 0.00 179.25 179.50 3gg9 h ARG 208 N -0.02 1.09 -0.02 0.00 3.08 -0.97 0.00 114.38 117.54 3gg9 h ARG 208 Ca 0.02 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 3gg9 h ARG 208 Cb 0.12 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3gg9 h ARG 208 CO -0.00 0.72 -0.45 0.00 -1.07 0.00 0.00 179.97 179.16 3gg9 h ALA 209 N 1.48 1.22 -0.00 0.04 0.00 -1.12 -1.90 119.26 118.97 3gg9 h ALA 209 Ca 0.43 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gg9 h ALA 209 Cb 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3gg9 h ALA 209 CO -0.18 0.58 0.00 -0.25 0.00 0.00 0.00 179.25 179.40 3gg9 n ASP 210 N -4.00 0.34 0.00 0.00 8.00 -0.63 -4.89 116.55 115.37 3gg9 n ASP 210 Ca -0.02 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.36 3gg9 n ASP 210 Cb 0.48 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 3gg9 n ASP 210 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gg9 n GLY 211 N 1.03 0.85 3.88 0.44 0.00 -0.71 -5.06 105.19 105.62 3gg9 n GLY 211 Ca 0.23 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3gg9 n GLY 211 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gg9 s PHE 212 N -2.00 3.59 0.52 1.61 0.40 -0.08 -4.99 117.98 117.03 3gg9 s PHE 212 Ca 0.00 0.53 -0.22 0.00 -0.60 0.00 0.00 56.93 56.63 3gg9 s PHE 212 Cb 0.00 -1.95 -0.06 0.00 0.51 0.00 0.00 43.02 41.53 3gg9 s PHE 212 CO 0.00 0.69 1.33 0.00 0.70 0.00 0.00 175.22 177.94 3gg9 s ALA 213 N -1.15 2.91 0.09 5.36 0.00 -1.24 -3.68 121.76 124.04 3gg9 s ALA 213 Ca 0.21 1.28 0.09 0.00 0.00 0.00 0.00 51.96 53.54 3gg9 s ALA 213 Cb -0.13 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 3gg9 s ALA 213 CO 0.10 -1.22 -0.23 0.14 0.00 0.00 0.00 175.76 174.56 3gg9 s VAL 214 N -1.33 1.88 0.26 0.00 -7.23 -1.26 -1.04 120.40 111.69 3gg9 s VAL 214 Ca 0.69 -1.53 -0.29 0.00 -1.81 0.00 0.00 61.98 59.04 3gg9 s VAL 214 Cb -0.39 -1.68 -0.09 0.00 0.56 0.00 0.00 36.38 34.78 3gg9 s VAL 214 CO 0.47 0.06 0.98 0.00 -0.31 0.00 0.00 175.10 176.30 3gg9 s ALA 215 N -1.04 3.33 0.08 1.32 0.00 -0.25 -4.83 121.76 120.36 3gg9 s ALA 215 Ca 0.09 0.67 0.22 0.00 0.00 0.00 0.00 51.96 52.94 3gg9 s ALA 215 Cb -0.10 -3.23 0.76 0.00 0.00 0.00 0.00 23.12 20.55 3gg9 s ALA 215 CO 0.04 0.11 1.76 1.05 0.00 0.00 0.00 175.76 178.72 3gg9 h GLU 216 N 3.89 0.00 -3.45 0.00 9.09 -1.96 -3.47 114.58 118.69 3gg9 h GLU 216 Ca -0.46 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 58.91 3gg9 h GLU 216 Cb 1.20 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 28.20 3gg9 h GLU 216 CO 0.67 0.27 -0.05 -1.54 0.05 0.00 0.00 179.01 178.41 3gg9 s SER 217 N -6.25 -0.18 0.15 3.06 1.04 -1.26 -5.02 113.70 105.24 3gg9 s SER 217 Ca 0.01 -0.61 -0.14 0.00 0.48 0.00 0.00 55.95 55.69 3gg9 s SER 217 Cb 0.10 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.79 3gg9 s SER 217 CO 0.66 -1.04 1.69 0.50 0.98 0.00 0.00 173.24 176.03 3gg9 h LYS 218 N 2.27 0.71 -0.82 4.02 3.64 -1.99 -2.57 116.57 121.83 3gg9 h LYS 218 Ca -0.29 -0.14 0.13 0.00 -1.27 0.00 0.00 60.65 59.08 3gg9 h LYS 218 Cb 1.25 -0.11 -0.14 0.00 -0.41 0.00 0.00 32.23 32.82 3gg9 h LYS 218 CO 0.39 0.65 -0.38 0.22 -2.27 0.00 0.00 179.45 178.07 3gg9 h ASP 219 N 0.61 -1.35 -0.89 4.20 -0.00 -1.98 -1.68 116.42 115.33 3gg9 h ASP 219 Ca 0.15 0.28 -0.01 0.00 -0.00 0.00 0.00 57.03 57.45 3gg9 h ASP 219 Cb 0.22 0.69 -0.04 0.00 -0.00 0.00 0.00 39.33 40.20 3gg9 h ASP 219 CO -0.01 -0.30 0.52 0.00 -0.00 0.00 0.00 179.24 179.46 3gg9 h ALA 220 N 1.17 1.13 -0.21 -0.78 0.00 -1.88 -1.05 119.26 117.64 3gg9 h ALA 220 Ca 0.29 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3gg9 h ALA 220 Cb 0.57 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3gg9 h ALA 220 CO -0.85 0.61 0.12 1.25 0.00 0.00 0.00 179.25 180.38 3gg9 h LEU 221 N 1.23 0.25 -0.37 0.00 5.85 -1.02 -1.43 115.31 119.82 3gg9 h LEU 221 Ca 0.32 -0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.82 3gg9 h LEU 221 Cb -0.03 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3gg9 h LEU 221 CO -0.06 0.24 -0.37 -0.26 -0.34 0.00 0.00 178.44 177.65 3gg9 h PHE 222 N 0.25 1.08 -0.37 1.25 -1.00 -1.13 -2.89 116.94 114.13 3gg9 h PHE 222 Ca 0.07 -0.33 -0.10 0.00 2.81 0.00 0.00 57.97 60.43 3gg9 h PHE 222 Cb 0.03 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 39.35 3gg9 h PHE 222 CO -0.05 1.15 -0.19 0.93 -1.61 0.00 0.00 178.31 178.54 3gg9 h GLU 223 N 0.71 0.71 0.00 1.51 5.08 -1.18 -3.31 114.58 118.09 3gg9 h GLU 223 Ca 0.06 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3gg9 h GLU 223 Cb 0.97 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3gg9 h GLU 223 CO 0.09 0.85 -1.31 1.04 -1.00 0.00 0.00 179.01 178.68 3gg9 n GLN 224 N -4.13 0.32 -2.58 2.33 6.02 -0.54 -4.54 117.38 114.26 3gg9 n GLN 224 Ca 0.00 -0.06 -0.40 0.00 -0.01 0.00 0.00 57.00 56.54 3gg9 n GLN 224 Cb 0.40 -1.55 -0.05 0.00 1.02 0.00 0.00 30.24 30.06 3gg9 n GLN 224 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3gg9 s SER 225 N -3.86 7.32 -0.15 1.08 0.01 -1.09 -4.73 113.70 112.27 3gg9 s SER 225 Ca 0.01 2.13 0.08 0.00 1.31 0.00 0.00 55.95 59.48 3gg9 s SER 225 Cb 0.15 -2.61 -0.23 0.00 0.21 0.00 0.00 66.02 63.53 3gg9 s SER 225 CO 0.85 -0.09 0.24 0.47 0.41 0.00 0.00 173.24 175.12 3gg9 n ASP 226 N 1.09 1.11 -4.04 2.44 8.00 0.06 -4.60 116.55 120.61 3gg9 n ASP 226 Ca -0.00 0.13 -0.28 0.00 0.71 0.00 0.00 54.79 55.35 3gg9 n ASP 226 Cb 0.46 0.01 -0.17 0.00 -0.02 0.00 0.00 41.12 41.41 3gg9 n ASP 226 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gg9 s VAL 227 N -2.54 1.39 -0.16 2.53 1.01 -0.69 -1.29 120.40 120.65 3gg9 s VAL 227 Ca -0.16 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.24 3gg9 s VAL 227 Cb 0.07 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 35.19 3gg9 s VAL 227 CO 0.77 0.42 -0.19 -0.22 0.00 0.00 0.00 175.10 175.88 3gg9 s LEU 228 N 0.95 2.02 -0.07 3.92 0.20 0.69 -0.07 118.68 126.33 3gg9 s LEU 228 Ca -0.08 -0.60 0.06 0.00 0.69 0.00 0.00 54.13 54.20 3gg9 s LEU 228 Cb -0.15 -1.39 -0.01 0.00 -0.43 0.00 0.00 46.19 44.21 3gg9 s LEU 228 CO -0.01 0.00 -0.25 -0.55 -0.29 0.00 0.00 176.35 175.26 3gg9 s SER 229 N 1.23 3.06 -0.24 3.68 0.15 -0.10 0.81 113.70 122.29 3gg9 s SER 229 Ca 0.02 -0.52 -0.11 0.00 0.70 0.00 0.00 55.95 56.04 3gg9 s SER 229 Cb -0.14 -0.95 -0.05 0.00 -1.71 0.00 0.00 66.02 63.18 3gg9 s SER 229 CO -0.10 0.23 0.18 -0.69 1.20 0.00 0.00 173.24 174.06 3gg9 s VAL 230 N -0.07 5.34 -0.42 4.45 1.01 -0.67 -1.23 120.40 128.82 3gg9 s VAL 230 Ca -0.07 0.21 0.11 0.00 0.00 0.00 0.00 61.98 62.24 3gg9 s VAL 230 Cb -0.15 -3.52 0.37 0.00 0.00 0.00 0.00 36.38 33.08 3gg9 s VAL 230 CO 0.05 0.33 0.84 1.41 0.00 0.00 0.00 175.10 177.72 3gg9 n HIS 231 N 4.41 1.50 -4.44 5.22 8.25 0.22 -4.14 115.22 126.24 3gg9 n HIS 231 Ca -0.14 -3.67 -0.31 0.00 -0.26 0.00 0.00 57.72 53.34 3gg9 n HIS 231 Cb 0.52 -0.41 -0.11 0.00 1.12 0.00 0.00 29.99 31.11 3gg9 n HIS 231 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3gg9 s LEU 232 N -2.86 2.89 0.41 2.41 1.43 -1.25 -4.31 118.68 117.40 3gg9 s LEU 232 Ca 0.41 -0.36 -0.23 0.00 -1.03 0.00 0.00 54.13 52.92 3gg9 s LEU 232 Cb 0.35 -1.69 -0.10 0.00 0.03 0.00 0.00 46.19 44.78 3gg9 s LEU 232 CO -0.09 0.23 1.00 -0.13 0.23 0.00 0.00 176.35 177.59 3gg9 s ARG 233 N -1.76 4.21 -0.13 1.70 1.81 -1.26 -4.59 118.95 118.92 3gg9 s ARG 233 Ca 0.18 1.34 -0.27 0.00 -1.72 0.00 0.00 55.73 55.26 3gg9 s ARG 233 Cb -0.11 -2.42 -0.02 0.00 -0.45 0.00 0.00 34.95 31.95 3gg9 s ARG 233 CO 0.09 -0.07 0.89 -1.17 -0.68 0.00 0.00 175.30 174.36 3gg9 s LEU 234 N -2.81 4.22 0.00 2.53 2.96 -1.26 -4.76 118.68 119.56 3gg9 s LEU 234 Ca 0.59 1.32 -0.05 0.00 -0.22 0.00 0.00 54.13 55.77 3gg9 s LEU 234 Cb -0.17 -3.35 0.02 0.00 0.50 0.00 0.00 46.19 43.19 3gg9 s LEU 234 CO 0.22 -0.39 0.47 -0.46 -1.32 0.00 0.00 176.35 174.87 3gg9 n ASN 235 N 4.98 -1.35 0.28 3.68 0.23 -1.26 -4.98 115.26 116.83 3gg9 n ASN 235 Ca 0.06 -2.45 0.18 0.00 -0.53 0.00 0.00 54.58 51.84 3gg9 n ASN 235 Cb 0.49 2.39 0.95 0.00 -2.08 0.00 0.00 39.78 41.53 3gg9 n ASN 235 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3gg9 h ASP 236 N 1.59 0.00 0.02 0.53 3.45 -1.96 -1.65 116.42 118.40 3gg9 h ASP 236 Ca -0.24 0.00 -0.38 0.00 0.43 0.00 0.00 57.03 56.85 3gg9 h ASP 236 Cb 0.97 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 39.67 3gg9 h ASP 236 CO 0.31 0.00 -2.41 -0.62 -1.57 0.00 0.00 179.24 174.96 3gg9 n GLU 237 N -3.36 0.67 0.06 3.56 4.71 -1.26 -4.53 120.64 120.48 3gg9 n GLU 237 Ca -0.01 0.09 0.12 0.00 -0.01 0.00 0.00 57.16 57.35 3gg9 n GLU 237 Cb 0.25 -1.53 0.20 0.00 -1.01 0.00 0.00 31.44 29.35 3gg9 n GLU 237 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3gg9 n THR 238 N -3.04 0.32 -1.72 2.62 -2.24 -1.08 -4.69 114.28 104.45 3gg9 n THR 238 Ca -0.39 -0.24 -0.43 0.00 -2.27 0.00 0.00 64.05 60.72 3gg9 n THR 238 Cb 1.07 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 69.16 3gg9 n THR 238 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3gg9 n ARG 239 N -2.05 2.44 -4.10 -0.78 0.63 -0.64 -2.35 116.66 109.82 3gg9 n ARG 239 Ca 0.04 0.87 -0.34 0.00 -0.92 0.00 0.00 57.85 57.49 3gg9 n ARG 239 Cb 0.43 -2.58 -0.02 0.00 0.45 0.00 0.00 32.46 30.74 3gg9 n ARG 239 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3gg9 n SER 240 N 1.84 -3.57 0.18 6.15 7.64 0.25 -4.86 113.62 121.25 3gg9 n SER 240 Ca 0.08 -0.91 0.12 0.00 1.01 0.00 0.00 58.87 59.17 3gg9 n SER 240 Cb 0.35 -2.92 0.19 0.00 -1.01 0.00 0.00 64.21 60.83 3gg9 n SER 240 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 3gg9 h ILE 241 N -1.51 0.00 -3.41 0.44 2.10 -0.78 -3.43 117.51 110.91 3gg9 h ILE 241 Ca -0.57 -0.90 -0.66 0.00 1.08 0.00 0.00 64.86 63.81 3gg9 h ILE 241 Cb 1.37 1.83 -0.27 0.00 -1.09 0.00 0.00 36.82 38.65 3gg9 h ILE 241 CO 0.74 0.00 -0.72 -0.63 -1.08 0.00 0.00 178.15 176.47 3gg9 s ILE 242 N -3.21 3.43 0.45 2.19 1.01 -0.27 -5.03 121.20 119.77 3gg9 s ILE 242 Ca 0.07 -0.47 0.08 0.00 0.00 0.00 0.00 60.65 60.32 3gg9 s ILE 242 Cb 0.07 -2.57 -0.00 0.00 0.01 0.00 0.00 42.46 39.97 3gg9 s ILE 242 CO 0.67 0.42 0.43 0.42 0.00 0.00 0.00 174.94 176.89 3gg9 s THR 243 N 1.48 2.50 0.32 2.92 -4.23 -1.26 -0.92 115.64 116.45 3gg9 s THR 243 Ca 0.06 -1.30 0.04 0.00 -1.18 0.00 0.00 61.69 59.30 3gg9 s THR 243 Cb -0.14 -2.80 0.29 0.00 1.34 0.00 0.00 72.50 71.19 3gg9 s THR 243 CO -0.03 0.00 1.90 -0.37 -0.54 0.00 0.00 174.62 175.59 3gg9 h VAL 244 N 0.88 0.99 -0.22 2.29 -1.51 -1.91 -1.99 116.25 114.78 3gg9 h VAL 244 Ca -0.40 -0.31 -0.09 0.00 -1.23 0.00 0.00 66.70 64.68 3gg9 h VAL 244 Cb 1.27 0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 30.44 3gg9 h VAL 244 CO 0.55 0.16 -0.26 0.00 -1.23 0.00 0.00 177.57 176.79 3gg9 h ALA 245 N 1.55 1.15 -0.15 5.19 0.00 -1.95 0.16 119.26 125.22 3gg9 h ALA 245 Ca 0.40 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gg9 h ALA 245 Cb 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3gg9 h ALA 245 CO -0.16 0.54 0.08 -0.44 0.00 0.00 0.00 179.25 179.26 3gg9 h ASP 246 N 0.36 0.20 -0.15 0.00 3.45 -1.81 -2.91 116.42 115.56 3gg9 h ASP 246 Ca 0.05 -0.11 -0.11 0.00 0.43 0.00 0.00 57.03 57.30 3gg9 h ASP 246 Cb 0.66 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.36 3gg9 h ASP 246 CO 0.05 0.25 -0.26 -0.07 -1.57 0.00 0.00 179.24 177.64 3gg9 h LEU 247 N 0.13 0.61 -0.08 1.55 3.38 -0.92 -2.54 115.31 117.44 3gg9 h LEU 247 Ca 0.05 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3gg9 h LEU 247 Cb 0.10 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3gg9 h LEU 247 CO -0.01 0.86 -0.02 0.35 0.09 0.00 0.00 178.44 179.71 3gg9 n THR 248 N -4.11 0.00 0.51 0.22 -2.24 0.00 -1.67 114.28 107.00 3gg9 n THR 248 Ca -0.00 -0.02 0.13 0.00 -2.27 0.00 0.00 64.05 61.88 3gg9 n THR 248 Cb 0.43 -0.39 0.42 0.00 -2.10 0.00 0.00 70.33 68.69 3gg9 n THR 248 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3gg9 h ARG 249 N 0.20 0.00 -7.19 -0.78 3.08 -1.24 -3.47 114.38 104.97 3gg9 h ARG 249 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 3gg9 h ARG 249 Cb 0.21 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.36 3gg9 h ARG 249 CO 0.00 0.00 0.38 -1.64 -1.07 0.00 0.00 179.97 177.64 3gg9 s MET 250 N -3.19 2.83 0.53 0.04 -1.94 -0.67 -3.86 119.30 113.03 3gg9 s MET 250 Ca 0.08 1.41 -0.21 0.00 -1.71 0.00 0.00 55.69 55.26 3gg9 s MET 250 Cb 0.11 -1.95 -0.06 0.00 2.01 0.00 0.00 34.83 34.94 3gg9 s MET 250 CO 0.55 -1.23 1.19 0.15 -0.01 0.00 0.00 175.02 175.67 3gg9 s LYS 251 N -4.04 3.35 0.39 2.03 1.02 -1.26 -4.65 119.74 116.58 3gg9 s LYS 251 Ca 0.67 1.80 0.27 0.00 0.02 0.00 0.00 55.97 58.73 3gg9 s LYS 251 Cb -0.21 -2.15 1.43 0.00 -0.52 0.00 0.00 37.83 36.38 3gg9 s LYS 251 CO 0.41 -0.89 1.81 -1.35 -0.92 0.00 0.00 175.35 174.41 3gg9 h PRO 252 N 1.42 0.00 -0.01 -1.68 0.11 -1.93 -2.06 132.00 127.86 3gg9 h PRO 252 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3gg9 h PRO 252 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3gg9 h PRO 252 CO 0.57 0.00 -0.60 0.25 -0.21 0.00 0.00 178.00 178.02 3gg9 n THR 253 N -2.43 0.00 -2.23 -1.15 -2.24 -1.26 -3.08 114.28 101.88 3gg9 n THR 253 Ca -0.02 -0.10 -0.32 0.00 -2.27 0.00 0.00 64.05 61.34 3gg9 n THR 253 Cb 0.05 0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 69.06 3gg9 n THR 253 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gg9 s ALA 254 N -2.75 2.91 -0.15 6.98 0.00 -0.77 -4.74 121.76 123.23 3gg9 s ALA 254 Ca 0.15 0.29 -0.02 0.00 0.00 0.00 0.00 51.96 52.38 3gg9 s ALA 254 Cb 0.18 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.10 3gg9 s ALA 254 CO 0.68 -0.51 -0.08 -1.17 0.00 0.00 0.00 175.76 174.68 3gg9 s LEU 255 N -4.27 2.94 -0.21 0.00 2.96 -0.41 -1.39 118.68 118.30 3gg9 s LEU 255 Ca 0.61 -0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 54.18 3gg9 s LEU 255 Cb -0.13 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 3gg9 s LEU 255 CO 0.34 0.14 0.07 0.12 -1.32 0.00 0.00 176.35 175.69 3gg9 s PHE 256 N 0.54 3.17 -0.11 5.38 5.36 -0.43 -0.22 117.98 131.68 3gg9 s PHE 256 Ca -0.06 -0.11 0.02 0.00 -0.96 0.00 0.00 56.93 55.82 3gg9 s PHE 256 Cb -0.15 -2.15 -0.01 0.00 -0.34 0.00 0.00 43.02 40.37 3gg9 s PHE 256 CO 0.03 -0.06 -0.16 0.08 -1.46 0.00 0.00 175.22 173.65 3gg9 s VAL 257 N 0.91 2.80 -0.22 3.12 1.01 0.24 -0.47 120.40 127.78 3gg9 s VAL 257 Ca 0.04 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 3gg9 s VAL 257 Cb -0.14 -2.13 0.07 0.00 0.00 0.00 0.00 36.38 34.18 3gg9 s VAL 257 CO 0.03 0.54 0.07 0.21 0.00 0.00 0.00 175.10 175.95 3gg9 s ASN 258 N 0.13 3.11 0.00 3.32 2.47 -0.37 -1.67 114.94 121.93 3gg9 s ASN 258 Ca -0.08 -1.00 0.09 0.00 0.42 0.00 0.00 52.86 52.29 3gg9 s ASN 258 Cb -0.15 -0.55 0.14 0.00 -1.45 0.00 0.00 41.25 39.23 3gg9 s ASN 258 CO 0.05 -0.35 0.95 0.35 -3.72 0.00 0.00 177.10 174.38 3gg9 n THR 259 N 5.08 0.40 0.00 -5.21 -2.24 -1.26 -1.21 114.28 109.83 3gg9 n THR 259 Ca -0.07 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3gg9 n THR 259 Cb 0.46 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 3gg9 n THR 259 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3gg9 n SER 260 N 0.42 0.00 -3.86 3.42 7.64 -1.26 -4.85 113.62 115.13 3gg9 n SER 260 Ca 0.07 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.82 3gg9 n SER 260 Cb 0.29 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.35 3gg9 n SER 260 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3gg9 s ARG 261 N 0.01 0.02 0.38 1.43 1.81 -1.26 -4.93 118.95 116.41 3gg9 s ARG 261 Ca 0.00 0.01 0.07 0.00 -1.72 0.00 0.00 55.73 54.09 3gg9 s ARG 261 Cb 0.00 -0.05 0.80 0.00 -0.45 0.00 0.00 34.95 35.25 3gg9 s ARG 261 CO 0.00 -0.01 1.96 0.00 -0.68 0.00 0.00 175.30 176.57 3gg9 h ALA 262 N 6.27 1.76 0.00 2.13 0.00 -1.83 -2.89 119.26 124.69 3gg9 h ALA 262 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3gg9 h ALA 262 Cb 1.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3gg9 h ALA 262 CO 0.51 0.13 0.00 0.39 0.00 0.00 0.00 179.25 180.27 3gg9 n GLU 263 N -4.48 0.50 0.24 0.00 4.71 -1.26 -1.66 120.64 118.69 3gg9 n GLU 263 Ca 0.10 0.04 0.11 0.00 -0.01 0.00 0.00 57.16 57.40 3gg9 n GLU 263 Cb 0.25 -1.50 0.60 0.00 -1.01 0.00 0.00 31.44 29.78 3gg9 n GLU 263 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 3gg9 h LEU 264 N 0.00 0.00 -9.21 -4.62 3.38 -1.74 0.73 115.31 103.85 3gg9 h LEU 264 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 3gg9 h LEU 264 Cb 0.16 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.76 3gg9 h LEU 264 CO 0.00 0.18 -0.59 -0.69 0.09 0.00 0.00 178.44 177.43 3gg9 s VAL 265 N -4.00 4.59 0.33 1.22 1.01 -0.67 -1.11 120.40 121.77 3gg9 s VAL 265 Ca -0.02 -0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 3gg9 s VAL 265 Cb 0.12 -3.00 -0.11 0.00 0.00 0.00 0.00 36.38 33.39 3gg9 s VAL 265 CO 0.61 0.54 1.53 -0.62 0.00 0.00 0.00 175.10 177.17 3gg9 n GLU 266 N 2.77 2.64 -1.66 2.72 1.02 -0.10 -4.73 120.64 123.30 3gg9 n GLU 266 Ca -0.18 0.93 -0.45 0.00 -0.02 0.00 0.00 57.16 57.44 3gg9 n GLU 266 Cb 0.53 -2.68 -0.03 0.00 -0.02 0.00 0.00 31.44 29.25 3gg9 n GLU 266 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3gg9 n GLU 267 N 1.33 1.89 -0.68 3.49 2.13 -1.26 -0.81 120.64 126.73 3gg9 n GLU 267 Ca 0.05 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.54 3gg9 n GLU 267 Cb 0.37 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.80 3gg9 n GLU 267 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3gg9 n ASN 268 N 1.92 -0.64 -0.15 4.31 5.03 -1.26 -4.87 115.26 119.60 3gg9 n ASN 268 Ca 0.11 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.47 3gg9 n ASN 268 Cb 0.31 -1.93 -0.00 0.00 -1.02 0.00 0.00 39.78 37.14 3gg9 n ASN 268 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 3gg9 h GLY 269 N 0.00 0.72 0.76 7.41 0.00 -1.32 -1.97 103.07 108.67 3gg9 h GLY 269 Ca 0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 3gg9 h GLY 269 CO 0.00 0.39 -0.09 1.98 0.00 0.00 0.00 176.54 178.82 3gg9 h MET 270 N 0.57 0.34 -0.12 4.80 1.85 -1.90 -1.62 114.93 118.85 3gg9 h MET 270 Ca 0.14 -0.15 0.04 0.00 -0.61 0.00 0.00 59.70 59.12 3gg9 h MET 270 Cb 0.23 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.21 3gg9 h MET 270 CO -0.01 0.66 -0.11 0.28 -0.40 0.00 0.00 176.91 177.34 3gg9 h VAL 271 N 0.00 0.69 0.04 -5.77 2.07 -1.94 -0.49 116.25 110.85 3gg9 h VAL 271 Ca 0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.58 3gg9 h VAL 271 Cb 0.57 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3gg9 h VAL 271 CO 0.03 0.00 -0.20 0.74 0.02 0.00 0.00 177.57 178.16 3gg9 h THR 272 N -0.13 0.54 -0.09 2.57 2.02 -1.32 -0.63 112.91 115.86 3gg9 h THR 272 Ca 0.08 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.29 3gg9 h THR 272 Cb 0.25 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 3gg9 h THR 272 CO -0.20 0.00 -0.11 0.00 0.37 0.00 0.00 175.52 175.58 3gg9 h ALA 273 N 0.52 -0.05 -0.95 6.16 0.00 -1.18 -2.02 119.26 121.74 3gg9 h ALA 273 Ca 0.05 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3gg9 h ALA 273 Cb 0.39 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3gg9 h ALA 273 CO -0.15 -0.58 0.62 -0.07 0.00 0.00 0.00 179.25 179.07 3gg9 h LEU 274 N -0.15 1.06 -2.58 0.00 3.38 -0.85 0.25 115.31 116.42 3gg9 h LEU 274 Ca 0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3gg9 h LEU 274 Cb 0.25 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3gg9 h LEU 274 CO -0.18 0.75 -0.01 0.78 0.09 0.00 0.00 178.44 179.87 3gg9 h ASN 275 N 1.25 0.00 -0.65 -0.43 2.35 -0.83 -1.78 115.58 115.48 3gg9 h ASN 275 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 3gg9 h ASN 275 Cb -0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.28 3gg9 h ASN 275 CO -0.09 0.01 0.00 0.54 -1.65 0.00 0.00 177.43 176.24 3gg9 n ARG 276 N -3.23 2.66 -0.98 0.81 1.74 0.04 -4.97 116.66 112.74 3gg9 n ARG 276 Ca -0.02 -2.41 0.00 0.00 -0.77 0.00 0.00 57.85 54.65 3gg9 n ARG 276 Cb 0.13 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 3gg9 n ARG 276 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gg9 n GLY 277 N 1.48 0.47 2.69 -0.13 0.00 -0.67 -5.00 105.19 104.03 3gg9 n GLY 277 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 3gg9 n GLY 277 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gg9 s ARG 278 N -0.40 0.19 0.95 1.61 0.52 -1.04 -3.82 118.95 116.96 3gg9 s ARG 278 Ca 0.00 -0.04 -0.12 0.00 -0.52 0.00 0.00 55.73 55.05 3gg9 s ARG 278 Cb 0.00 -1.24 0.16 0.00 0.52 0.00 0.00 34.95 34.40 3gg9 s ARG 278 CO 0.00 -0.79 1.09 -1.25 0.02 0.00 0.00 175.30 174.37 3gg9 s PRO 279 N 2.25 0.80 0.24 3.54 0.04 -1.20 -3.56 135.00 137.11 3gg9 s PRO 279 Ca 0.07 0.81 0.09 0.00 0.04 0.00 0.00 61.00 62.01 3gg9 s PRO 279 Cb -0.16 -1.76 0.23 0.00 0.04 0.00 0.00 34.50 32.86 3gg9 s PRO 279 CO -0.19 -2.56 1.54 0.78 0.04 0.00 0.00 177.00 176.61 3gg9 h GLY 280 N -1.78 0.02 -3.60 0.56 0.00 -1.16 -3.42 103.07 93.69 3gg9 h GLY 280 Ca -0.52 -0.02 -0.10 0.00 0.00 0.00 0.00 47.33 46.69 3gg9 h GLY 280 CO 0.54 0.02 -0.37 -0.29 0.00 0.00 0.00 176.54 176.43 3gg9 s MET 281 N -3.43 0.76 0.05 4.80 -2.45 -0.73 -4.87 119.30 113.43 3gg9 s MET 281 Ca -0.01 -0.76 0.02 0.00 -1.25 0.00 0.00 55.69 53.69 3gg9 s MET 281 Cb 0.12 0.31 -0.03 0.00 1.25 0.00 0.00 34.83 36.49 3gg9 s MET 281 CO 0.78 -0.23 -0.08 0.00 1.05 0.00 0.00 175.02 176.53 3gg9 s ALA 282 N -3.11 0.67 -0.12 4.11 0.00 0.43 -1.32 121.76 122.44 3gg9 s ALA 282 Ca -0.01 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 3gg9 s ALA 282 Cb 0.01 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.20 3gg9 s ALA 282 CO -0.07 -0.02 -0.05 0.00 0.00 0.00 0.00 175.76 175.62 3gg9 s ALA 283 N -1.59 1.21 -0.07 0.00 0.00 0.38 -0.58 121.76 121.12 3gg9 s ALA 283 Ca -0.07 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.40 3gg9 s ALA 283 Cb -0.09 -0.92 0.02 0.00 0.00 0.00 0.00 23.12 22.13 3gg9 s ALA 283 CO 0.00 -0.50 -0.09 0.42 0.00 0.00 0.00 175.76 175.59 3gg9 s ILE 284 N 1.76 0.93 -1.20 0.00 1.09 -0.30 -1.24 121.20 122.24 3gg9 s ILE 284 Ca 0.04 -0.33 0.15 0.00 -1.10 0.00 0.00 60.65 59.40 3gg9 s ILE 284 Cb -0.13 -0.89 -0.04 0.00 -1.06 0.00 0.00 42.46 40.35 3gg9 s ILE 284 CO -0.08 0.32 0.76 -0.67 -0.10 0.00 0.00 174.94 175.17 3gg9 n ASP 285 N 4.07 1.34 -4.04 3.58 2.03 -0.35 -1.86 116.55 121.32 3gg9 n ASP 285 Ca -0.22 -1.17 -0.17 0.00 0.52 0.00 0.00 54.79 53.75 3gg9 n ASP 285 Cb 0.51 0.58 -0.14 0.00 -0.72 0.00 0.00 41.12 41.36 3gg9 n ASP 285 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3gg9 s VAL 286 N -1.88 0.68 0.06 5.18 -7.23 -1.25 -1.07 120.40 114.88 3gg9 s VAL 286 Ca 0.11 -0.61 0.01 0.00 -1.81 0.00 0.00 61.98 59.68 3gg9 s VAL 286 Cb 0.12 -0.62 -0.03 0.00 0.56 0.00 0.00 36.38 36.40 3gg9 s VAL 286 CO 0.41 0.02 -0.06 -0.36 -0.31 0.00 0.00 175.10 174.81 3gg9 s PHE 287 N -0.56 0.66 0.20 2.82 0.08 -1.26 -4.48 117.98 115.44 3gg9 s PHE 287 Ca -0.00 -0.78 -0.11 0.00 0.12 0.00 0.00 56.93 56.16 3gg9 s PHE 287 Cb -0.05 -0.41 0.14 0.00 -0.57 0.00 0.00 43.02 42.12 3gg9 s PHE 287 CO 0.00 -0.19 1.87 0.93 -0.10 0.00 0.00 175.22 177.73 3gg9 h GLU 288 N 3.68 0.94 -4.53 0.44 4.39 -1.99 -3.40 114.58 114.09 3gg9 h GLU 288 Ca -0.35 -0.06 -0.58 0.00 0.34 0.00 0.00 59.36 58.71 3gg9 h GLU 288 Cb 1.18 -0.21 -0.36 0.00 -0.10 0.00 0.00 28.75 29.25 3gg9 h GLU 288 CO 0.55 0.63 -0.82 0.99 -1.16 0.00 0.00 179.01 179.19 3gg9 s THR 289 N -6.11 1.42 -0.01 1.13 2.01 -1.26 -5.07 115.64 107.76 3gg9 s THR 289 Ca -0.13 -0.57 0.07 0.00 0.31 0.00 0.00 61.69 61.37 3gg9 s THR 289 Cb 0.14 -1.38 -0.02 0.00 0.01 0.00 0.00 72.50 71.26 3gg9 s THR 289 CO 0.77 0.41 -0.21 -1.61 -0.69 0.00 0.00 174.62 173.29 3gg9 s GLU 290 N 1.54 1.64 0.76 4.92 2.02 -1.26 -3.80 118.70 124.52 3gg9 s GLU 290 Ca 0.04 -0.78 -0.14 0.00 0.02 0.00 0.00 54.97 54.11 3gg9 s GLU 290 Cb -0.13 -1.61 0.06 0.00 0.10 0.00 0.00 34.13 32.54 3gg9 s GLU 290 CO -0.10 0.44 1.22 -2.14 0.02 0.00 0.00 175.26 174.70 3gg9 s PRO 291 N -0.60 1.91 0.52 0.39 0.02 -1.26 -5.09 135.00 130.90 3gg9 s PRO 291 Ca 0.08 1.81 -0.01 0.00 0.02 0.00 0.00 61.00 62.90 3gg9 s PRO 291 Cb -0.08 -1.80 0.01 0.00 0.02 0.00 0.00 34.50 32.65 3gg9 s PRO 291 CO -0.00 -2.02 0.77 0.96 -0.33 0.00 0.00 177.00 176.38 3gg9 s ILE 292 N -1.98 3.45 0.29 2.83 -4.36 -1.25 -5.11 121.20 115.06 3gg9 s ILE 292 Ca 0.75 -0.43 0.01 0.00 -0.26 0.00 0.00 60.65 60.73 3gg9 s ILE 292 Cb -0.30 -3.31 -0.03 0.00 1.25 0.00 0.00 42.46 40.06 3gg9 s ILE 292 CO 0.47 -0.25 0.47 -0.76 0.24 0.00 0.00 174.94 175.11 3gg9 s LEU 293 N -4.75 4.14 0.51 0.37 2.01 -1.26 -5.01 118.68 114.69 3gg9 s LEU 293 Ca 0.53 0.34 0.18 0.00 0.01 0.00 0.00 54.13 55.19 3gg9 s LEU 293 Cb -0.10 -3.16 1.29 0.00 0.01 0.00 0.00 46.19 44.22 3gg9 s LEU 293 CO 0.40 -0.18 2.12 -0.61 1.01 0.00 0.00 176.35 179.09 3gg9 h GLN 294 N 1.12 0.00 -0.45 1.70 4.15 -2.03 -2.18 115.11 117.42 3gg9 h GLN 294 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.92 3gg9 h GLN 294 Cb 1.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.91 3gg9 h GLN 294 CO 0.63 0.05 0.00 0.41 -1.93 0.00 0.00 178.83 177.99 3gg9 n GLY 295 N -1.34 0.85 3.73 2.39 0.00 -1.26 -4.77 105.19 104.79 3gg9 n GLY 295 Ca -0.03 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 3gg9 n GLY 295 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3gg9 n HIS 296 N 0.31 2.61 0.07 1.61 -0.00 -0.82 -4.92 115.22 114.08 3gg9 n HIS 296 Ca 0.10 0.41 -0.12 0.00 -0.00 0.00 0.00 57.72 58.11 3gg9 n HIS 296 Cb 0.35 -2.51 -0.06 0.00 -0.00 0.00 0.00 29.99 27.77 3gg9 n HIS 296 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.34 177.49 3gg9 h THR 297 N 3.00 0.80 -0.60 3.57 2.02 -1.91 -2.85 112.91 116.92 3gg9 h THR 297 Ca -0.47 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 3gg9 h THR 297 Cb 1.25 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 3gg9 h THR 297 CO 0.71 0.00 0.34 -0.07 0.37 0.00 0.00 175.52 176.87 3gg9 h LEU 298 N -0.18 0.73 -1.57 2.58 3.38 -1.97 -2.63 115.31 115.65 3gg9 h LEU 298 Ca 0.01 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3gg9 h LEU 298 Cb 0.19 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3gg9 h LEU 298 CO -0.05 0.58 -0.23 0.25 0.09 0.00 0.00 178.44 179.09 3gg9 h LEU 299 N 0.83 0.00 -0.54 1.67 5.85 -1.85 -2.37 115.31 118.90 3gg9 h LEU 299 Ca 0.21 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 3gg9 h LEU 299 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3gg9 h LEU 299 CO -0.04 0.23 -0.00 0.03 -0.34 0.00 0.00 178.44 178.32 3gg9 h ARG 300 N 0.00 0.00 -6.63 1.25 2.47 -1.32 -3.46 114.38 106.69 3gg9 h ARG 300 Ca -0.00 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 58.20 3gg9 h ARG 300 Cb 0.42 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.73 3gg9 h ARG 300 CO 0.03 0.00 0.44 -1.64 0.56 0.00 0.00 179.97 179.36 3gg9 s MET 301 N -3.38 4.63 0.42 0.04 -1.94 -0.89 -4.94 119.30 113.24 3gg9 s MET 301 Ca 0.05 1.63 0.22 0.00 -1.71 0.00 0.00 55.69 55.88 3gg9 s MET 301 Cb 0.06 -3.31 0.83 0.00 2.01 0.00 0.00 34.83 34.43 3gg9 s MET 301 CO 0.62 0.13 1.79 1.05 -0.01 0.00 0.00 175.02 178.60 3gg9 h GLU 302 N 5.26 0.00 -0.61 2.03 4.11 -1.89 -3.15 114.58 120.33 3gg9 h GLU 302 Ca -0.44 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 58.79 3gg9 h GLU 302 Cb 1.21 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.34 3gg9 h GLU 302 CO 0.72 0.27 0.20 0.27 0.07 0.00 0.00 179.01 180.54 3gg9 n ASN 303 N -3.43 4.09 -3.83 3.06 6.94 -1.26 -4.78 115.26 116.06 3gg9 n ASN 303 Ca 0.00 -3.34 -0.25 0.00 -0.02 0.00 0.00 54.58 50.97 3gg9 n ASN 303 Cb 0.46 -0.70 -0.17 0.00 -2.36 0.00 0.00 39.78 37.00 3gg9 n ASN 303 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gg9 s ILE 305 N 1.84 5.04 -0.20 0.00 1.01 0.26 -4.81 121.20 124.33 3gg9 s ILE 305 Ca 0.04 0.76 -0.03 0.00 0.00 0.00 0.00 60.65 61.43 3gg9 s ILE 305 Cb -0.13 -3.88 -0.00 0.00 0.01 0.00 0.00 42.46 38.46 3gg9 s ILE 305 CO -0.07 -0.01 -0.08 0.00 0.00 0.00 0.00 174.94 174.78 3gg9 s THR 307 N 1.33 3.96 -1.48 0.00 -4.23 -0.78 -5.02 115.64 109.43 3gg9 s THR 307 Ca 0.04 -0.85 -0.10 0.00 -1.18 0.00 0.00 61.69 59.59 3gg9 s THR 307 Cb -0.14 -2.82 0.02 0.00 1.34 0.00 0.00 72.50 70.90 3gg9 s THR 307 CO -0.04 0.24 2.49 -0.81 -0.54 0.00 0.00 174.62 175.96 3gg9 n PRO 308 N 0.99 3.55 -3.80 3.99 -0.04 -1.26 -4.35 135.00 134.08 3gg9 n PRO 308 Ca -0.13 -2.71 -0.28 0.00 -0.04 0.00 0.00 63.50 60.34 3gg9 n PRO 308 Cb 0.52 -2.95 0.02 0.00 -0.04 0.00 0.00 33.50 31.05 3gg9 n PRO 308 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 3gg9 n HIS 309 N 4.15 -1.79 1.11 0.54 -0.00 -0.23 -4.91 115.22 114.09 3gg9 n HIS 309 Ca 0.62 0.60 0.12 0.00 0.46 0.00 0.00 57.72 59.53 3gg9 n HIS 309 Cb 0.30 -3.65 0.30 0.00 -0.12 0.00 0.00 29.99 26.82 3gg9 n HIS 309 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 3gg9 n ILE 310 N -4.30 0.10 -0.34 3.57 -5.35 -1.26 -4.57 119.36 107.20 3gg9 n ILE 310 Ca -0.20 -0.43 0.18 0.00 -0.27 0.00 0.00 62.75 62.03 3gg9 n ILE 310 Cb 0.64 0.94 0.40 0.00 -1.74 0.00 0.00 39.64 39.88 3gg9 n ILE 310 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3gg9 h GLY 311 N 4.78 1.92 -1.14 3.28 0.00 -1.90 -0.43 103.07 109.57 3gg9 h GLY 311 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3gg9 h GLY 311 CO 0.00 -0.29 -0.08 -1.72 0.00 0.00 0.00 176.54 174.45 3gg9 n TYR 312 N -4.92 0.00 -2.84 5.60 4.01 -1.26 -1.64 117.16 116.10 3gg9 n TYR 312 Ca 0.28 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.58 3gg9 n TYR 312 Cb 0.78 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.79 3gg9 n TYR 312 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3gg9 s VAL 313 N -1.46 4.54 -0.12 -0.72 1.01 -0.17 -4.45 120.40 119.02 3gg9 s VAL 313 Ca 0.17 -1.37 -0.28 0.00 0.00 0.00 0.00 61.98 60.51 3gg9 s VAL 313 Cb 0.13 -4.84 0.07 0.00 0.00 0.00 0.00 36.38 31.74 3gg9 s VAL 313 CO 0.25 -1.60 0.67 -0.70 0.00 0.00 0.00 175.10 173.71 3gg9 s GLU 314 N 3.23 0.96 0.12 2.72 -6.30 -1.26 -4.98 118.70 113.20 3gg9 s GLU 314 Ca 0.35 0.47 -0.26 0.00 -2.50 0.00 0.00 54.97 53.03 3gg9 s GLU 314 Cb -0.04 0.46 -0.05 0.00 0.00 0.00 0.00 34.13 34.50 3gg9 s GLU 314 CO -0.09 -0.25 1.63 -0.09 0.02 0.00 0.00 175.26 176.48 3gg9 h ARG 315 N 3.70 -0.41 -0.34 4.30 2.43 -1.99 0.10 114.38 122.17 3gg9 h ARG 315 Ca -0.28 0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 58.81 3gg9 h ARG 315 Cb 1.15 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 3gg9 h ARG 315 CO 0.28 -0.27 -0.25 0.93 -1.51 0.00 0.00 179.97 179.16 3gg9 h GLU 316 N -0.42 0.69 0.42 0.20 5.08 -1.98 -1.09 114.58 117.47 3gg9 h GLU 316 Ca 0.06 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 3gg9 h GLU 316 Cb 0.51 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3gg9 h GLU 316 CO -0.25 0.87 -0.20 1.03 -1.00 0.00 0.00 179.01 179.46 3gg9 h SER 317 N 0.60 -0.48 -0.49 1.42 0.87 -1.82 0.60 113.55 114.25 3gg9 h SER 317 Ca 0.08 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.69 3gg9 h SER 317 Cb 0.74 0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.78 3gg9 h SER 317 CO 0.06 -0.33 0.24 1.88 -0.53 0.00 0.00 176.83 178.15 3gg9 h TYR 318 N -0.58 0.44 -0.35 2.24 -1.99 -0.73 0.20 116.97 116.19 3gg9 h TYR 318 Ca -0.06 0.02 0.06 0.00 2.00 0.00 0.00 58.73 60.76 3gg9 h TYR 318 Cb 0.44 -0.12 -0.06 0.00 2.00 0.00 0.00 36.73 38.99 3gg9 h TYR 318 CO -0.04 0.21 -0.00 0.93 -0.00 0.00 0.00 178.16 179.25 3gg9 h GLU 319 N 0.47 0.09 0.47 4.88 4.39 -1.02 -0.87 114.58 122.99 3gg9 h GLU 319 Ca 0.22 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 3gg9 h GLU 319 Cb 0.13 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 3gg9 h GLU 319 CO -0.16 0.06 -0.23 1.98 -1.16 0.00 0.00 179.01 179.50 3gg9 h MET 320 N 0.09 -0.61 -0.38 2.33 4.05 -0.54 -1.55 114.93 118.33 3gg9 h MET 320 Ca 0.17 0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.63 3gg9 h MET 320 Cb 0.24 0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.16 3gg9 h MET 320 CO -0.29 -0.34 0.21 1.88 0.23 0.00 0.00 176.91 178.60 3gg9 h TYR 321 N -0.78 0.51 0.03 1.39 0.99 -0.52 -2.05 116.97 116.55 3gg9 h TYR 321 Ca -0.07 -0.01 -0.23 0.00 2.00 0.00 0.00 58.73 60.42 3gg9 h TYR 321 Cb 0.56 -0.16 -0.00 0.00 1.00 0.00 0.00 36.73 38.12 3gg9 h TYR 321 CO -0.01 0.39 -1.00 0.74 -0.00 0.00 0.00 178.16 178.28 3gg9 h PHE 322 N 0.48 0.50 -0.31 4.88 0.04 -1.28 -2.41 116.94 118.85 3gg9 h PHE 322 Ca 0.13 -0.30 0.07 0.00 2.80 0.00 0.00 57.97 60.68 3gg9 h PHE 322 Cb 0.05 -0.05 -0.07 0.00 2.20 0.00 0.00 35.95 38.08 3gg9 h PHE 322 CO -0.03 1.14 -0.19 0.78 -0.60 0.00 0.00 178.31 179.41 3gg9 h GLY 323 N 1.48 0.00 0.91 -1.45 0.00 -1.16 0.61 103.07 103.46 3gg9 h GLY 323 Ca -0.08 0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 3gg9 h GLY 323 CO 0.17 -0.19 0.11 -2.22 0.00 0.00 0.00 176.54 174.41 3gg9 h ILE 324 N -0.16 1.17 -0.73 2.60 2.04 -1.39 -0.92 117.51 120.12 3gg9 h ILE 324 Ca 0.16 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3gg9 h ILE 324 Cb 0.41 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 3gg9 h ILE 324 CO -0.40 0.17 0.40 0.00 0.00 0.00 0.00 178.15 178.31 3gg9 h ALA 325 N 0.96 1.33 -0.06 1.87 0.00 -1.14 0.60 119.26 122.82 3gg9 h ALA 325 Ca 0.09 -0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.64 3gg9 h ALA 325 Cb 0.16 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.68 3gg9 h ALA 325 CO -0.01 0.55 -0.92 0.74 0.00 0.00 0.00 179.25 179.61 3gg9 h PHE 326 N 1.01 1.02 -0.59 0.00 0.04 -0.80 -3.06 116.94 114.56 3gg9 h PHE 326 Ca 0.26 -0.51 -0.08 0.00 2.80 0.00 0.00 57.97 60.44 3gg9 h PHE 326 Cb 0.02 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.02 3gg9 h PHE 326 CO 0.01 1.34 0.04 0.37 -0.60 0.00 0.00 178.31 179.46 3gg9 h GLN 327 N 0.44 0.99 -0.66 1.51 5.75 -0.83 -2.64 115.11 119.67 3gg9 h GLN 327 Ca -0.09 -0.28 0.09 0.00 -0.15 0.00 0.00 58.65 58.22 3gg9 h GLN 327 Cb 1.56 -0.11 -0.07 0.00 1.07 0.00 0.00 27.48 29.93 3gg9 h GLN 327 CO 0.18 0.95 0.30 -0.91 -2.65 0.00 0.00 178.83 176.70 3gg9 h ASN 328 N 0.92 0.36 0.33 -0.69 2.35 -0.90 0.17 115.58 118.12 3gg9 h ASN 328 Ca 0.17 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 3gg9 h ASN 328 Cb 0.48 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3gg9 h ASN 328 CO 0.02 0.21 -0.21 0.40 -1.65 0.00 0.00 177.43 176.19 3gg9 h ILE 329 N 0.52 0.55 -0.72 2.81 2.04 -1.41 -1.91 117.51 119.38 3gg9 h ILE 329 Ca 0.33 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.28 3gg9 h ILE 329 Cb 0.36 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 3gg9 h ILE 329 CO -0.28 0.00 0.36 -0.07 0.00 0.00 0.00 178.15 178.16 3gg9 h LEU 330 N -0.53 0.47 -0.44 1.44 3.38 -1.10 -2.33 115.31 116.20 3gg9 h LEU 330 Ca -0.03 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3gg9 h LEU 330 Cb 0.44 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3gg9 h LEU 330 CO 0.03 0.26 0.20 0.44 0.09 0.00 0.00 178.44 179.46 3gg9 h ASP 331 N 0.61 0.58 1.14 -0.43 3.32 -0.52 -2.81 116.42 118.30 3gg9 h ASP 331 Ca 0.36 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 3gg9 h ASP 331 Cb 0.38 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3gg9 h ASP 331 CO -0.27 0.55 -0.21 0.16 -1.72 0.00 0.00 179.24 177.75 3gg9 h ILE 332 N 0.56 0.45 0.00 0.35 3.07 -0.97 0.94 117.51 121.92 3gg9 h ILE 332 Ca 0.15 -1.17 -0.10 0.00 1.55 0.00 0.00 64.86 65.29 3gg9 h ILE 332 Cb 0.13 1.84 -0.01 0.00 -0.27 0.00 0.00 36.82 38.52 3gg9 h ILE 332 CO -0.02 0.20 -0.46 -0.07 -1.05 0.00 0.00 178.15 176.76 3gg9 h LEU 333 N 0.00 0.00 -1.80 0.16 3.38 -1.21 -2.40 115.31 113.43 3gg9 h LEU 333 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gg9 h LEU 333 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3gg9 h LEU 333 CO 0.03 0.46 0.00 0.00 0.09 0.00 0.00 178.44 179.01 3gg9 n GLN 334 N -3.84 2.15 -0.03 1.13 1.13 -1.05 -4.94 117.38 111.91 3gg9 n GLN 334 Ca -0.01 -1.77 0.00 0.00 -1.94 0.00 0.00 57.00 53.28 3gg9 n GLN 334 Cb 0.50 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.44 3gg9 n GLN 334 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gg9 n GLY 335 N 1.30 0.72 3.61 1.08 0.00 -0.90 -5.03 105.19 105.97 3gg9 n GLY 335 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 3gg9 n GLY 335 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gg9 s ASN 336 N -2.56 6.54 -0.26 1.61 2.47 0.30 -4.90 114.94 118.13 3gg9 s ASN 336 Ca 0.00 0.79 0.10 0.00 0.42 0.00 0.00 52.86 54.17 3gg9 s ASN 336 Cb 0.00 -2.54 0.46 0.00 -1.45 0.00 0.00 41.25 37.71 3gg9 s ASN 336 CO 0.00 -1.27 1.32 1.33 -3.72 0.00 0.00 177.10 174.75 3gg9 n VAL 337 N 6.76 2.39 0.20 -5.21 0.24 -1.26 -2.38 118.33 119.07 3gg9 n VAL 337 Ca 0.14 -3.18 0.07 0.00 -2.04 0.00 0.00 64.34 59.34 3gg9 n VAL 337 Cb 0.48 -0.37 0.42 0.00 -1.47 0.00 0.00 33.84 32.90 3gg9 n VAL 337 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3gg9 h ASP 338 N 1.13 0.00 0.74 -1.34 3.32 -1.96 -3.00 116.42 115.32 3gg9 h ASP 338 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3gg9 h ASP 338 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3gg9 h ASP 338 CO 0.24 0.31 -0.12 -1.54 -1.72 0.00 0.00 179.24 176.41 3gg9 n SER 339 N -3.61 0.18 -4.65 6.45 3.41 -1.26 -4.86 113.62 109.28 3gg9 n SER 339 Ca -0.01 0.09 -0.43 0.00 -0.26 0.00 0.00 58.87 58.27 3gg9 n SER 339 Cb 0.44 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 3gg9 n SER 339 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3gg9 s VAL 340 N -2.86 3.67 0.10 -3.33 1.01 -1.13 -0.99 120.40 116.87 3gg9 s VAL 340 Ca 0.18 0.80 0.01 0.00 0.00 0.00 0.00 61.98 62.96 3gg9 s VAL 340 Cb 0.19 -3.57 -0.25 0.00 0.00 0.00 0.00 36.38 32.75 3gg9 s VAL 340 CO 0.55 -0.13 1.21 0.00 0.00 0.00 0.00 175.10 176.73 3gg9 h ALA 341 N 9.85 0.23 -2.97 5.51 0.00 -0.38 -3.38 119.26 128.12 3gg9 h ALA 341 Ca -0.36 -0.89 -0.68 0.00 0.00 0.00 0.00 54.91 52.98 3gg9 h ALA 341 Cb 1.16 -0.07 -0.38 0.00 0.00 0.00 0.00 17.79 18.51 3gg9 h ALA 341 CO 0.97 1.10 -0.28 0.54 0.00 0.00 0.00 179.25 181.57 3gg9 s ASN 342 N -6.94 5.52 0.48 0.00 4.22 -1.26 -4.96 114.94 112.00 3gg9 s ASN 342 Ca -0.02 -3.67 0.22 0.00 -2.14 0.00 0.00 52.86 47.26 3gg9 s ASN 342 Cb 0.09 -1.81 1.23 0.00 1.28 0.00 0.00 41.25 42.03 3gg9 s ASN 342 CO 0.85 -0.17 2.01 -0.65 -2.04 0.00 0.00 177.10 177.11 3gg9 h PRO 343 N 5.93 0.00 0.00 3.55 0.11 -1.95 -2.04 132.00 137.60 3gg9 h PRO 343 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3gg9 h PRO 343 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3gg9 h PRO 343 CO 0.80 0.17 0.00 0.25 -0.21 0.00 0.00 178.00 179.01 3gg9 n THR 344 N -3.86 0.76 0.41 -1.15 -2.24 -1.26 -2.35 114.28 104.59 3gg9 n THR 344 Ca -0.02 0.18 0.09 0.00 -2.27 0.00 0.00 64.05 62.03 3gg9 n THR 344 Cb 0.27 -0.90 0.38 0.00 -2.10 0.00 0.00 70.33 67.98 3gg9 n THR 344 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gg9 n ALA 345 N -1.53 1.59 0.17 6.98 0.00 -0.77 -2.85 120.51 124.10 3gg9 n ALA 345 Ca 0.04 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.62 3gg9 n ALA 345 Cb 0.22 -1.29 0.09 0.00 0.00 0.00 0.00 19.45 18.47 3gg9 n ALA 345 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3gg9 h LEU 346 N 0.00 0.00-10.02 0.00 3.38 -1.68 -3.43 115.31 103.57 3gg9 h LEU 346 Ca 0.00 -0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3gg9 h LEU 346 Cb 0.27 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.11 3gg9 h LEU 346 CO 0.00 0.00 0.52 0.00 0.09 0.00 0.00 178.44 179.05 3gg9 s ALA 347 N -3.29 2.90 0.35 1.53 0.00 -1.13 -4.97 121.76 117.15 3gg9 s ALA 347 Ca 0.03 1.05 -0.26 0.00 0.00 0.00 0.00 51.96 52.79 3gg9 s ALA 347 Cb 0.07 -3.44 -0.13 0.00 0.00 0.00 0.00 23.12 19.62 3gg9 s ALA 347 CO 0.73 -0.90 0.81 -0.35 0.00 0.00 0.00 175.76 176.05 3gg9 n PRO 348 N -0.71 0.95 -0.20 0.00 -0.04 -1.26 -4.69 135.00 129.04 3gg9 n PRO 348 Ca 0.09 0.34 0.16 0.00 -0.04 0.00 0.00 63.50 64.05 3gg9 n PRO 348 Cb 0.47 -1.68 0.50 0.00 -0.04 0.00 0.00 33.50 32.75 3gg9 n PRO 348 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gg9 h ALA 349 N 1.41 2.13 0.00 0.55 0.00 -1.93 0.41 119.26 121.83 3gg9 h ALA 349 Ca -0.39 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 3gg9 h ALA 349 Cb 1.37 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3gg9 h ALA 349 CO 0.57 -0.36 -0.30 -0.07 0.00 0.00 0.00 179.25 179.08 3gg9 h LEU 350 N 0.44 0.00 0.00 0.00 3.38 -2.02 -3.10 115.31 114.00 3gg9 h LEU 350 Ca 0.41 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.19 3gg9 h LEU 350 Cb 0.96 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 3gg9 h LEU 350 CO -0.15 0.30 -1.39 0.40 0.09 0.00 0.00 178.44 177.69 3gg9 h ILE 351 N 0.00 0.64 0.00 1.22 5.03 -1.32 -3.56 117.51 119.53 3gg9 h ILE 351 Ca -0.00 -2.22 0.00 0.00 -0.12 0.00 0.00 64.86 62.52 3gg9 h ILE 351 Cb 0.85 2.18 0.00 0.00 -3.03 0.00 0.00 36.82 36.82 3gg9 h ILE 351 CO 0.04 0.37 0.00 0.54 -0.68 0.00 0.00 178.15 178.42