#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 4.21 -0.02 2.46 1.43 -1.26 -4.96 118.68 120.55 3gg9 s LEU 12 Ca 0.00 0.34 -0.19 0.00 -1.03 0.00 0.00 54.13 53.25 3gg9 s LEU 12 Cb 0.00 -3.13 -0.05 0.00 0.03 0.00 0.00 46.19 43.04 3gg9 s LEU 12 CO 0.00 -0.08 0.54 -0.54 0.23 0.00 0.00 176.35 176.50 3gg9 s LYS 13 N -3.58 4.25 -0.05 1.70 1.02 -1.26 -2.46 119.74 119.36 3gg9 s LYS 13 Ca 0.38 0.63 0.05 0.00 0.02 0.00 0.00 55.97 57.04 3gg9 s LYS 13 Cb -0.10 -3.33 -0.01 0.00 -0.52 0.00 0.00 37.83 33.87 3gg9 s LYS 13 CO 0.30 0.41 -0.19 0.42 -0.92 0.00 0.00 175.35 175.37 3gg9 s ILE 14 N -0.27 1.56 -0.01 2.17 1.01 0.76 -1.42 121.20 124.99 3gg9 s ILE 14 Ca 0.29 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 60.19 3gg9 s ILE 14 Cb -0.17 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 3gg9 s ILE 14 CO 0.15 0.45 -0.13 0.00 0.00 0.00 0.00 174.94 175.41 3gg9 s ALA 15 N -0.02 2.74 -0.13 9.38 0.00 -0.42 -0.31 121.76 133.00 3gg9 s ALA 15 Ca -0.03 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.90 3gg9 s ALA 15 Cb -0.12 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.05 3gg9 s ALA 15 CO 0.02 0.58 -0.20 0.08 0.00 0.00 0.00 175.76 176.24 3gg9 s VAL 16 N -0.85 2.28 0.22 0.00 1.01 0.11 0.00 120.40 123.16 3gg9 s VAL 16 Ca 0.14 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.25 3gg9 s VAL 16 Cb -0.11 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 3gg9 s VAL 16 CO 0.04 0.54 0.32 -0.76 0.00 0.00 0.00 175.10 175.24 3gg9 s LEU 17 N 0.65 4.26 -1.26 3.92 1.43 -1.16 -0.61 118.68 125.91 3gg9 s LEU 17 Ca -0.10 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 3gg9 s LEU 17 Cb -0.16 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.25 3gg9 s LEU 17 CO 0.02 -0.03 0.00 0.47 0.23 0.00 0.00 176.35 177.04 3gg9 n ASP 18 N -1.14 -4.41 -4.37 2.29 8.00 -1.17 -4.47 116.55 111.28 3gg9 n ASP 18 Ca -0.08 0.05 -0.45 0.00 0.71 0.00 0.00 54.79 55.01 3gg9 n ASP 18 Cb 0.56 -3.50 -0.00 0.00 -0.02 0.00 0.00 41.12 38.16 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 -2.44 7.15 0.24 -2.24 2.15 0.41 -4.82 116.67 117.12 3gg9 s ASP 19 Ca 0.00 -3.24 -0.04 0.00 0.43 0.00 0.00 52.55 49.70 3gg9 s ASP 19 Cb 0.00 -2.27 0.46 0.00 -0.30 0.00 0.00 42.92 40.81 3gg9 s ASP 19 CO 0.00 -0.48 1.73 1.88 -0.17 0.00 0.00 175.17 178.13 3gg9 h TYR 20 N 7.07 0.52 -0.59 -5.34 0.05 -1.81 -1.15 116.97 115.72 3gg9 h TYR 20 Ca 0.20 0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.02 3gg9 h TYR 20 Cb 0.91 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.53 3gg9 h TYR 20 CO 0.90 0.07 0.00 1.04 -1.05 0.00 0.00 178.16 179.12 3gg9 n GLN 21 N -5.00 3.12 -3.84 4.88 6.02 -1.26 -4.84 117.38 116.46 3gg9 n GLN 21 Ca 0.14 -2.44 -0.26 0.00 -0.01 0.00 0.00 57.00 54.43 3gg9 n GLN 21 Cb 0.41 -1.72 0.02 0.00 1.02 0.00 0.00 30.24 29.97 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 1.09 -2.60 0.01 1.08 2.03 -0.43 -4.91 116.55 112.82 3gg9 n ASP 22 Ca 0.22 -0.84 -0.11 0.00 0.52 0.00 0.00 54.79 54.59 3gg9 n ASP 22 Cb 0.72 -3.81 -0.14 0.00 -0.72 0.00 0.00 41.12 37.17 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 0.91 0.57 -0.69 -1.67 0.00 -1.92 -3.40 119.26 113.04 3gg9 h ALA 23 Ca -0.60 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 53.02 3gg9 h ALA 23 Cb 1.37 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 19.48 3gg9 h ALA 23 CO 0.62 1.41 0.45 0.28 0.00 0.00 0.00 179.25 182.01 3gg9 h VAL 24 N 0.02 1.19 0.00 0.00 2.07 -1.92 -1.46 116.25 116.14 3gg9 h VAL 24 Ca -0.24 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3gg9 h VAL 24 Cb 1.97 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3gg9 h VAL 24 CO 0.11 0.18 0.00 -2.11 0.02 0.00 0.00 177.57 175.77 3gg9 n ARG 25 N -4.58 0.10 0.00 1.57 1.85 -1.26 -1.93 116.66 112.40 3gg9 n ARG 25 Ca 0.06 0.28 0.12 0.00 -1.00 0.00 0.00 57.85 57.31 3gg9 n ARG 25 Cb 0.03 -1.67 0.17 0.00 -1.05 0.00 0.00 32.46 29.94 3gg9 n ARG 25 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3gg9 n LYS 26 N -1.85 0.59 -2.15 2.89 4.01 -0.56 -4.92 118.16 116.18 3gg9 n LYS 26 Ca 0.04 -0.42 -0.40 0.00 -0.51 0.00 0.00 58.31 57.02 3gg9 n LYS 26 Cb 0.24 -1.49 -0.02 0.00 -0.51 0.00 0.00 35.03 33.25 3gg9 n LYS 26 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3gg9 s LEU 27 N -2.70 4.39 0.28 -0.35 1.43 -0.81 -4.93 118.68 115.99 3gg9 s LEU 27 Ca 0.17 2.63 0.02 0.00 -1.03 0.00 0.00 54.13 55.92 3gg9 s LEU 27 Cb 0.18 -3.71 0.61 0.00 0.03 0.00 0.00 46.19 43.30 3gg9 s LEU 27 CO 0.63 -0.56 1.78 -0.78 0.23 0.00 0.00 176.35 177.65 3gg9 h ASP 28 N 3.25 0.68 0.62 2.29 3.58 -1.92 -1.50 116.42 123.41 3gg9 h ASP 28 Ca -0.49 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.05 3gg9 h ASP 28 Cb 1.23 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.25 3gg9 h ASP 28 CO 0.65 0.28 0.00 0.00 -2.88 0.00 0.00 179.24 177.29 3gg9 h PHE 30 N 0.00 0.04 0.00 0.00 3.57 -1.52 -1.95 116.94 117.08 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 0.31 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.04 3gg9 h PHE 30 CO 0.00 0.02 0.00 0.43 -2.23 0.00 0.00 178.31 176.53 3gg9 n SER 31 N -4.44 0.60 0.20 0.41 7.64 -1.21 -1.83 113.62 115.00 3gg9 n SER 31 Ca 0.05 0.73 0.16 0.00 1.01 0.00 0.00 58.87 60.83 3gg9 n SER 31 Cb 0.41 -0.83 0.81 0.00 -1.01 0.00 0.00 64.21 63.58 3gg9 n SER 31 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3gg9 h LEU 32 N 0.00 0.00 -2.91 -3.43 3.38 -1.63 -1.88 115.31 108.84 3gg9 h LEU 32 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gg9 h LEU 32 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3gg9 h LEU 32 CO 0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 3gg9 n LEU 33 N -3.93 4.46 0.16 1.67 4.77 -0.76 -4.65 117.00 118.72 3gg9 n LEU 33 Ca 0.01 -2.25 0.17 0.00 -0.03 0.00 0.00 56.01 53.92 3gg9 n LEU 33 Cb 0.30 -0.56 0.78 0.00 -2.33 0.00 0.00 43.42 41.61 3gg9 n LEU 33 CO 0.29 0.78 1.15 0.06 -1.33 0.00 0.00 177.39 178.34 3gg9 h GLN 34 N 3.89 0.00 -0.00 3.23 3.07 -1.51 0.79 115.11 124.58 3gg9 h GLN 34 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3gg9 h GLN 34 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.91 3gg9 h GLN 34 CO 0.20 0.00 -0.00 -0.25 0.09 0.00 0.00 178.83 178.87 3gg9 n ASP 35 N -3.96 0.38 -4.29 0.06 8.00 -1.26 -4.88 116.55 110.59 3gg9 n ASP 35 Ca 0.04 -1.11 -0.22 0.00 0.71 0.00 0.00 54.79 54.20 3gg9 n ASP 35 Cb 0.40 -0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.38 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 -2.01 1.73 -0.26 1.24 3.76 0.27 -4.71 115.29 115.31 3gg9 s HIS 36 Ca 0.45 -0.46 -0.27 0.00 -0.15 0.00 0.00 55.06 54.64 3gg9 s HIS 36 Cb 0.22 -0.91 0.00 0.00 1.11 0.00 0.00 32.58 33.00 3gg9 s HIS 36 CO 0.36 0.24 0.94 -1.21 -0.85 0.00 0.00 174.74 174.23 3gg9 s GLU 37 N -2.36 4.16 -0.10 1.40 2.02 -1.03 -4.98 118.70 117.81 3gg9 s GLU 37 Ca 0.10 1.05 0.03 0.00 0.02 0.00 0.00 54.97 56.17 3gg9 s GLU 37 Cb -0.08 -3.67 -0.01 0.00 0.10 0.00 0.00 34.13 30.47 3gg9 s GLU 37 CO 0.05 -0.65 -0.19 0.08 0.02 0.00 0.00 175.26 174.57 3gg9 s VAL 38 N 3.13 2.53 -0.13 2.63 1.01 -1.26 -0.17 120.40 128.13 3gg9 s VAL 38 Ca 0.39 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3gg9 s VAL 38 Cb -0.14 -2.00 -0.00 0.00 0.00 0.00 0.00 36.38 34.23 3gg9 s VAL 38 CO 0.09 0.55 -0.18 -0.75 0.00 0.00 0.00 175.10 174.81 3gg9 s LYS 39 N 0.21 3.19 -0.14 2.72 2.47 0.58 -4.97 119.74 123.79 3gg9 s LYS 39 Ca -0.12 -0.79 0.01 0.00 -1.56 0.00 0.00 55.97 53.52 3gg9 s LYS 39 Cb -0.16 -2.49 -0.00 0.00 -1.46 0.00 0.00 37.83 33.71 3gg9 s LYS 39 CO 0.06 0.13 -0.17 0.08 0.16 0.00 0.00 175.35 175.61 3gg9 s VAL 40 N 0.50 2.52 0.02 4.02 1.01 -1.26 0.08 120.40 127.28 3gg9 s VAL 40 Ca -0.12 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 3gg9 s VAL 40 Cb -0.16 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 3gg9 s VAL 40 CO 0.05 0.53 0.27 -0.36 0.00 0.00 0.00 175.10 175.59 3gg9 s PHE 41 N 0.69 3.57 -0.35 5.22 0.40 0.22 -4.97 117.98 122.77 3gg9 s PHE 41 Ca -0.08 0.56 0.13 0.00 -0.60 0.00 0.00 56.93 56.94 3gg9 s PHE 41 Cb -0.16 -1.98 0.36 0.00 0.51 0.00 0.00 43.02 41.75 3gg9 s PHE 41 CO 0.02 0.60 1.27 0.09 0.70 0.00 0.00 175.22 177.90 3gg9 n ASN 42 N 1.04 3.10 -3.67 1.36 5.03 -1.26 -0.44 115.26 120.42 3gg9 n ASN 42 Ca -0.11 -2.62 -0.12 0.00 0.87 0.00 0.00 54.58 52.60 3gg9 n ASN 42 Cb 0.53 -0.37 -0.05 0.00 -1.02 0.00 0.00 39.78 38.87 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 -1.73 0.35 -0.11 6.41 2.20 -1.26 -3.95 114.94 116.83 3gg9 s ASN 43 Ca 0.30 -1.22 -0.02 0.00 -0.94 0.00 0.00 52.86 50.98 3gg9 s ASN 43 Cb 0.23 0.61 -0.03 0.00 -2.00 0.00 0.00 41.25 40.05 3gg9 s ASN 43 CO 0.08 -1.20 -0.03 -0.89 -2.94 0.00 0.00 177.10 172.13 3gg9 s THR 44 N -3.56 4.04 0.02 0.54 2.01 -1.26 -3.78 115.64 113.64 3gg9 s THR 44 Ca 0.27 -0.33 0.08 0.00 0.31 0.00 0.00 61.69 62.02 3gg9 s THR 44 Cb 0.00 -2.72 -0.02 0.00 0.01 0.00 0.00 72.50 69.76 3gg9 s THR 44 CO 0.14 0.55 -0.24 0.68 -0.69 0.00 0.00 174.62 175.06 3gg9 s VAL 45 N -0.32 1.95 -0.02 3.82 -7.23 -1.26 -5.06 120.40 112.28 3gg9 s VAL 45 Ca 0.06 -1.19 0.11 0.00 -1.81 0.00 0.00 61.98 59.15 3gg9 s VAL 45 Cb -0.12 -1.65 -0.17 0.00 0.56 0.00 0.00 36.38 35.00 3gg9 s VAL 45 CO 0.02 0.42 0.23 0.29 -0.31 0.00 0.00 175.10 175.75 3gg9 n LYS 46 N 2.12 0.46 -2.08 4.82 5.02 -1.26 -4.77 118.16 122.47 3gg9 n LYS 46 Ca -0.16 -0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 55.61 3gg9 n LYS 46 Cb 0.52 -1.27 -0.03 0.00 -0.02 0.00 0.00 35.03 34.24 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 -3.35 2.07 0.35 0.72 0.00 -1.26 -4.91 107.32 100.94 3gg9 s GLY 47 Ca -0.04 1.23 0.10 0.00 0.00 0.00 0.00 44.72 46.01 3gg9 s GLY 47 CO 0.46 2.34 1.83 -0.24 0.00 0.00 0.00 173.10 177.49 3gg9 h VAL 48 N 3.90 0.75 -0.00 1.40 3.04 -1.99 -0.47 116.25 122.87 3gg9 h VAL 48 Ca -0.44 -0.23 -0.20 0.00 -1.01 0.00 0.00 66.70 64.82 3gg9 h VAL 48 Cb 1.21 0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.51 3gg9 h VAL 48 CO 0.83 0.12 -0.87 1.23 -1.01 0.00 0.00 177.57 177.87 3gg9 h GLY 49 N 0.67 0.26 0.98 3.17 0.00 -1.98 -0.21 103.07 105.96 3gg9 h GLY 49 Ca 0.51 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 3gg9 h GLY 49 CO -0.27 0.40 0.15 1.46 0.00 0.00 0.00 176.54 178.28 3gg9 h GLN 50 N 0.13 0.81 -0.32 4.80 4.20 -1.72 -1.13 115.11 121.87 3gg9 h GLN 50 Ca -0.05 -0.18 -0.14 0.00 0.06 0.00 0.00 58.65 58.34 3gg9 h GLN 50 Cb 1.50 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 29.16 3gg9 h GLN 50 CO 0.14 0.76 -0.34 -0.07 -0.67 0.00 0.00 178.83 178.64 3gg9 h LEU 51 N 0.70 0.85 -0.87 1.46 3.38 -1.01 -2.93 115.31 116.89 3gg9 h LEU 51 Ca 0.16 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 3gg9 h LEU 51 Cb 0.30 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3gg9 h LEU 51 CO -0.00 1.16 0.22 0.00 0.09 0.00 0.00 178.44 179.91 3gg9 h ALA 52 N 0.72 1.09 0.00 1.53 0.00 -1.02 -1.18 119.26 120.41 3gg9 h ALA 52 Ca 0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3gg9 h ALA 52 Cb 0.93 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3gg9 h ALA 52 CO 0.08 0.62 -0.02 0.00 0.00 0.00 0.00 179.25 179.94 3gg9 h ALA 53 N 1.22 1.90 0.00 0.00 0.00 -1.12 0.08 119.26 121.34 3gg9 h ALA 53 Ca 0.22 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.86 3gg9 h ALA 53 Cb 0.28 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3gg9 h ALA 53 CO -0.01 0.02 -1.47 0.00 0.00 0.00 0.00 179.25 177.79 3gg9 h ARG 54 N 0.00 0.00 0.00 0.00 3.08 -1.15 -3.39 114.38 112.91 3gg9 h ARG 54 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gg9 h ARG 54 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3gg9 h ARG 54 CO 0.00 0.60 -1.61 0.28 -1.07 0.00 0.00 179.97 178.17 3gg9 n VAL 55 N -3.11 0.00 0.17 2.04 0.31 -0.53 -4.64 118.33 112.57 3gg9 n VAL 55 Ca -0.12 -0.33 0.11 0.00 -0.01 0.00 0.00 64.34 63.99 3gg9 n VAL 55 Cb 1.00 0.33 0.64 0.00 -0.91 0.00 0.00 33.84 34.90 3gg9 n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gg9 h ALA 56 N 2.09 2.10 -0.00 3.52 0.00 -1.18 -1.89 119.26 123.89 3gg9 h ALA 56 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gg9 h ALA 56 Cb 0.77 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3gg9 h ALA 56 CO 0.00 -0.14 -0.01 -3.47 0.00 0.00 0.00 179.25 175.63 3gg9 n ASP 57 N -4.50 0.03 -4.52 0.00 2.03 -1.26 -4.61 116.55 103.72 3gg9 n ASP 57 Ca 0.01 -0.27 -0.26 0.00 0.52 0.00 0.00 54.79 54.79 3gg9 n ASP 57 Cb 0.22 -0.24 -0.10 0.00 -0.72 0.00 0.00 41.12 40.28 3gg9 n ASP 57 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3gg9 s VAL 58 N -2.50 2.88 -0.09 5.18 -7.23 -0.71 -4.81 120.40 113.11 3gg9 s VAL 58 Ca 0.31 -1.90 0.21 0.00 -1.81 0.00 0.00 61.98 58.78 3gg9 s VAL 58 Cb 0.20 -2.44 -0.28 0.00 0.56 0.00 0.00 36.38 34.42 3gg9 s VAL 58 CO 0.45 -0.19 0.45 -0.62 -0.31 0.00 0.00 175.10 174.89 3gg9 n GLU 59 N -0.10 0.66 -4.30 4.82 4.71 -0.51 -3.64 120.64 122.27 3gg9 n GLU 59 Ca -0.10 -0.10 -0.25 0.00 -0.01 0.00 0.00 57.16 56.70 3gg9 n GLU 59 Cb 0.57 -1.56 -0.17 0.00 -1.01 0.00 0.00 31.44 29.27 3gg9 n GLU 59 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3gg9 s ALA 60 N -3.23 1.24 -0.14 0.62 0.00 -1.05 -1.02 121.76 118.18 3gg9 s ALA 60 Ca -0.08 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 3gg9 s ALA 60 Cb 0.11 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 3gg9 s ALA 60 CO 0.88 -0.09 -0.11 -1.17 0.00 0.00 0.00 175.76 175.27 3gg9 s LEU 61 N 1.06 2.82 -0.24 0.00 2.96 -0.07 -1.30 118.68 123.91 3gg9 s LEU 61 Ca -0.07 -0.30 -0.07 0.00 -0.22 0.00 0.00 54.13 53.46 3gg9 s LEU 61 Cb -0.14 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 3gg9 s LEU 61 CO -0.01 0.15 0.08 -0.69 -1.32 0.00 0.00 176.35 174.56 3gg9 s VAL 62 N 0.45 4.42 -0.12 1.68 1.01 0.10 -0.04 120.40 127.90 3gg9 s VAL 62 Ca -0.08 -0.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 3gg9 s VAL 62 Cb -0.15 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3gg9 s VAL 62 CO 0.04 0.35 0.13 -0.76 0.00 0.00 0.00 175.10 174.86 3gg9 s LEU 63 N 1.47 4.34 -0.57 3.92 1.43 -0.77 -2.99 118.68 125.51 3gg9 s LEU 63 Ca 0.06 0.44 -0.18 0.00 -1.03 0.00 0.00 54.13 53.41 3gg9 s LEU 63 Cb -0.15 -2.06 0.10 0.00 0.03 0.00 0.00 46.19 44.11 3gg9 s LEU 63 CO 0.04 0.39 0.65 -0.63 0.23 0.00 0.00 176.35 177.03 3gg9 s ILE 64 N -0.91 4.90 0.00 -0.59 1.09 -1.26 -2.39 121.20 122.04 3gg9 s ILE 64 Ca 0.14 -1.03 0.00 0.00 -1.10 0.00 0.00 60.65 58.67 3gg9 s ILE 64 Cb -0.12 -4.43 0.00 0.00 -1.06 0.00 0.00 42.46 36.85 3gg9 s ILE 64 CO 0.03 -1.03 0.00 0.54 -0.10 0.00 0.00 174.94 174.38 3gg9 n ARG 65 N 6.10 0.00 -0.98 2.79 1.74 -1.25 -2.15 116.66 122.91 3gg9 n ARG 65 Ca -0.10 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.96 3gg9 n ARG 65 Cb 0.42 0.00 0.33 0.00 -1.02 0.00 0.00 32.46 32.19 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 3.96 -0.26 5.56 1.02 -1.26 -4.64 120.64 139.02 3gg9 n GLU 66 Ca 0.00 -3.11 -0.00 0.00 -0.02 0.00 0.00 57.16 54.03 3gg9 n GLU 66 Cb 0.00 -2.21 0.21 0.00 -0.02 0.00 0.00 31.44 29.41 3gg9 n GLU 66 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gg9 h ARG 67 N 2.93 1.08 -6.30 3.49 3.08 -1.85 -3.41 114.38 113.41 3gg9 h ARG 67 Ca 0.20 -0.07 -0.69 0.00 0.07 0.00 0.00 59.98 59.48 3gg9 h ARG 67 Cb 2.22 -0.24 -0.30 0.00 0.08 0.00 0.00 29.97 31.73 3gg9 h ARG 67 CO 0.66 0.72 -0.87 0.99 -1.07 0.00 0.00 179.97 180.40 3gg9 s THR 68 N -5.92 2.18 -0.08 2.04 2.01 -1.26 -5.00 115.64 109.60 3gg9 s THR 68 Ca -0.12 -1.04 -0.15 0.00 0.31 0.00 0.00 61.69 60.70 3gg9 s THR 68 Cb 0.18 -1.78 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 3gg9 s THR 68 CO 0.79 0.58 0.37 -0.60 -0.69 0.00 0.00 174.62 175.07 3gg9 s ARG 69 N -0.41 4.09 -0.39 4.92 3.52 -1.26 -4.87 118.95 124.55 3gg9 s ARG 69 Ca 0.04 0.29 -0.09 0.00 -0.13 0.00 0.00 55.73 55.84 3gg9 s ARG 69 Cb -0.12 -3.33 0.06 0.00 -1.56 0.00 0.00 34.95 30.00 3gg9 s ARG 69 CO 0.01 0.43 0.21 0.08 -0.81 0.00 0.00 175.30 175.23 3gg9 s VAL 70 N -0.20 4.15 0.40 7.11 1.01 0.21 -5.01 120.40 128.07 3gg9 s VAL 70 Ca 0.21 -1.26 0.08 0.00 0.00 0.00 0.00 61.98 61.01 3gg9 s VAL 70 Cb -0.15 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.77 3gg9 s VAL 70 CO 0.09 -0.38 0.54 0.42 0.00 0.00 0.00 175.10 175.77 3gg9 s THR 71 N 1.43 3.25 0.19 3.92 -4.23 -1.26 -1.21 115.64 117.73 3gg9 s THR 71 Ca 0.02 -1.01 -0.12 0.00 -1.18 0.00 0.00 61.69 59.41 3gg9 s THR 71 Cb -0.21 -3.10 0.10 0.00 1.34 0.00 0.00 72.50 70.63 3gg9 s THR 71 CO 0.03 -0.04 1.80 -0.09 -0.54 0.00 0.00 174.62 175.78 3gg9 h ARG 72 N 0.71 0.57 -0.70 3.99 2.43 -1.97 -2.08 114.38 117.33 3gg9 h ARG 72 Ca -0.41 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 58.78 3gg9 h ARG 72 Cb 1.27 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.64 3gg9 h ARG 72 CO 0.47 0.37 0.41 0.37 -1.51 0.00 0.00 179.97 180.08 3gg9 h GLN 73 N 0.58 0.74 -0.44 0.20 4.15 -1.99 0.66 115.11 119.01 3gg9 h GLN 73 Ca 0.25 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.60 3gg9 h GLN 73 Cb 0.14 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 3gg9 h GLN 73 CO -0.16 0.49 0.17 1.25 -1.93 0.00 0.00 178.83 178.65 3gg9 h LEU 74 N 0.76 0.62 -1.12 -2.39 5.85 -1.89 -3.19 115.31 113.95 3gg9 h LEU 74 Ca 0.31 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3gg9 h LEU 74 Cb 0.15 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3gg9 h LEU 74 CO -0.16 0.63 0.16 -0.07 -0.34 0.00 0.00 178.44 178.65 3gg9 h LEU 75 N 0.57 0.72 -2.16 2.25 3.38 -0.53 -1.60 115.31 117.95 3gg9 h LEU 75 Ca 0.15 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.07 3gg9 h LEU 75 Cb 0.20 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3gg9 h LEU 75 CO -0.01 0.69 0.29 0.44 0.09 0.00 0.00 178.44 179.93 3gg9 h ASP 76 N 0.76 0.00 -0.25 -0.43 3.45 -0.90 -0.21 116.42 118.84 3gg9 h ASP 76 Ca 0.18 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.64 3gg9 h ASP 76 Cb 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 3gg9 h ASP 76 CO -0.01 0.00 0.00 0.54 -1.57 0.00 0.00 179.24 178.20 3gg9 n ARG 77 N -3.60 2.30 -3.27 3.56 1.74 -0.60 -4.68 116.66 112.11 3gg9 n ARG 77 Ca 0.03 -1.94 -0.26 0.00 -0.77 0.00 0.00 57.85 54.91 3gg9 n ARG 77 Cb 0.41 -1.48 -0.07 0.00 -1.02 0.00 0.00 32.46 30.30 3gg9 n ARG 77 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3gg9 n LEU 78 N 1.19 3.37 0.24 0.55 4.77 -0.09 -4.87 117.00 122.17 3gg9 n LEU 78 Ca 0.18 -5.39 0.16 0.00 -0.03 0.00 0.00 56.01 50.93 3gg9 n LEU 78 Cb 0.55 -0.42 0.65 0.00 -2.33 0.00 0.00 43.42 41.87 3gg9 n LEU 78 CO 0.15 2.14 0.97 1.55 -1.33 0.00 0.00 177.39 180.87 3gg9 h PRO 79 N 3.81 0.00 0.00 3.23 0.13 -1.83 -2.25 132.00 135.08 3gg9 h PRO 79 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3gg9 h PRO 79 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 3gg9 h PRO 79 CO 0.77 0.00 -0.13 -0.22 -0.23 0.00 0.00 178.00 178.19 3gg9 h LYS 80 N 0.00 0.00 -6.52 0.86 3.64 -1.84 -3.47 116.57 109.24 3gg9 h LYS 80 Ca 0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 3gg9 h LYS 80 Cb 0.47 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.31 3gg9 h LYS 80 CO 0.00 0.00 0.74 -1.17 -2.27 0.00 0.00 179.45 176.75 3gg9 s LEU 81 N -5.12 4.36 -0.01 5.20 2.96 -0.85 -4.42 118.68 120.81 3gg9 s LEU 81 Ca 0.08 2.29 0.01 0.00 -0.22 0.00 0.00 54.13 56.29 3gg9 s LEU 81 Cb 0.10 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.19 3gg9 s LEU 81 CO 0.65 -0.66 -0.00 0.29 -1.32 0.00 0.00 176.35 175.31 3gg9 n LYS 82 N 4.17 2.75 -4.23 1.98 5.02 -0.21 -4.73 118.16 122.91 3gg9 n LYS 82 Ca 0.12 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.19 3gg9 n LYS 82 Cb 0.43 -1.03 -0.16 0.00 -0.02 0.00 0.00 35.03 34.24 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 -2.03 0.69 -0.23 -0.18 1.01 -0.19 -1.82 121.20 118.45 3gg9 s ILE 83 Ca -0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 3gg9 s ILE 83 Cb 0.00 -0.70 -0.01 0.00 0.01 0.00 0.00 42.46 41.77 3gg9 s ILE 83 CO 0.05 0.26 -0.01 -0.63 0.00 0.00 0.00 174.94 174.61 3gg9 s ILE 84 N 0.94 3.61 -0.34 2.92 1.01 0.33 -0.89 121.20 128.78 3gg9 s ILE 84 Ca -0.10 -0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.01 3gg9 s ILE 84 Cb -0.14 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.67 3gg9 s ILE 84 CO 0.00 0.39 0.19 -0.55 0.00 0.00 0.00 174.94 174.98 3gg9 s SER 85 N 1.51 5.72 -0.17 3.58 0.15 0.94 0.16 113.70 125.59 3gg9 s SER 85 Ca 0.06 -0.68 -0.18 0.00 0.70 0.00 0.00 55.95 55.85 3gg9 s SER 85 Cb -0.15 -2.04 -0.04 0.00 -1.71 0.00 0.00 66.02 62.09 3gg9 s SER 85 CO -0.02 -0.28 0.49 -1.58 1.20 0.00 0.00 173.24 173.06 3gg9 s GLN 86 N 1.62 4.24 0.04 5.44 2.00 0.17 -1.84 119.66 131.32 3gg9 s GLN 86 Ca 0.04 0.40 -0.30 0.00 -2.00 0.00 0.00 55.36 53.50 3gg9 s GLN 86 Cb -0.18 -3.52 -0.06 0.00 0.80 0.00 0.00 33.01 30.05 3gg9 s GLN 86 CO 0.07 -0.04 1.31 0.95 -0.50 0.00 0.00 175.29 177.08 3gg9 s THR 87 N 1.28 3.79 0.00 -0.34 -4.23 -1.01 -2.37 115.64 112.76 3gg9 s THR 87 Ca 0.24 1.23 0.00 0.00 -1.18 0.00 0.00 61.69 61.98 3gg9 s THR 87 Cb -0.15 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.90 3gg9 s THR 87 CO 0.10 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.84 3gg9 n GLY 88 N 3.44 -1.86 3.76 3.99 0.00 -1.26 -3.90 105.19 109.37 3gg9 n GLY 88 Ca 0.11 -1.36 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 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 2.61 -0.27 1.61 1.70 -1.26 -1.62 118.95 121.72 3gg9 s ARG 89 Ca 0.00 1.45 -0.06 0.00 -0.47 0.00 0.00 55.73 56.66 3gg9 s ARG 89 Cb 0.00 -1.92 0.00 0.00 -0.57 0.00 0.00 34.95 32.46 3gg9 s ARG 89 CO 0.00 -1.41 0.04 0.08 -1.08 0.00 0.00 175.30 172.93 3gg9 s VAL 90 N -2.31 3.75 -0.04 4.99 1.01 -1.26 -4.91 120.40 121.63 3gg9 s VAL 90 Ca 0.68 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 3gg9 s VAL 90 Cb -0.22 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 3gg9 s VAL 90 CO 0.43 0.18 1.19 -0.55 0.00 0.00 0.00 175.10 176.36 3gg9 s SER 91 N 1.48 7.06 0.30 3.32 0.15 -1.26 -4.91 113.70 119.84 3gg9 s SER 91 Ca 0.03 1.84 0.21 0.00 0.70 0.00 0.00 55.95 58.73 3gg9 s SER 91 Cb -0.16 -2.56 0.14 0.00 -1.71 0.00 0.00 66.02 61.72 3gg9 s SER 91 CO 0.01 -0.56 1.32 0.03 1.20 0.00 0.00 173.24 175.24 3gg9 h ARG 92 N 7.34 0.00 -6.68 5.44 2.47 -1.98 -3.42 114.38 117.55 3gg9 h ARG 92 Ca -0.35 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 57.79 3gg9 h ARG 92 Cb 1.17 0.00 0.13 0.00 -1.65 0.00 0.00 29.97 29.62 3gg9 h ARG 92 CO 0.87 0.12 0.24 -3.47 0.56 0.00 0.00 179.97 178.28 3gg9 n ASP 93 N -2.97 1.57 0.04 7.04 2.03 -1.26 -4.86 116.55 118.13 3gg9 n ASP 93 Ca 0.01 1.06 0.03 0.00 0.52 0.00 0.00 54.79 56.41 3gg9 n ASP 93 Cb 0.60 -1.38 0.17 0.00 -0.72 0.00 0.00 41.12 39.79 3gg9 n ASP 93 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gg9 n ALA 94 N -0.38 1.03 -0.59 -1.67 0.00 -1.26 -1.00 120.51 116.65 3gg9 n ALA 94 Ca 0.09 0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.67 3gg9 n ALA 94 Cb 0.39 -1.09 0.34 0.00 0.00 0.00 0.00 19.45 19.08 3gg9 n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gg9 n GLY 95 N -1.40 2.80 3.76 0.00 0.00 -1.26 -5.00 105.19 104.10 3gg9 n GLY 95 Ca -0.00 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 3gg9 n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gg9 s GLY 96 N -0.98 2.88 0.21 -0.02 0.00 -0.17 -4.92 107.32 104.32 3gg9 s GLY 96 Ca 0.49 1.21 0.23 0.00 0.00 0.00 0.00 44.72 46.64 3gg9 s GLY 96 CO 0.24 1.75 1.68 -2.39 0.00 0.00 0.00 173.10 174.39 3gg9 n HIS 97 N -0.30 0.68 -4.25 1.90 1.44 -1.26 -4.50 115.22 108.93 3gg9 n HIS 97 Ca 0.06 0.26 -0.34 0.00 -2.01 0.00 0.00 57.72 55.69 3gg9 n HIS 97 Cb 0.45 -0.92 -0.12 0.00 0.12 0.00 0.00 29.99 29.51 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 -3.24 3.86 -0.94 0.61 1.01 -1.26 0.66 121.20 121.89 3gg9 s ILE 98 Ca 0.05 -0.36 -0.24 0.00 0.00 0.00 0.00 60.65 60.11 3gg9 s ILE 98 Cb 0.10 -2.71 0.02 0.00 0.01 0.00 0.00 42.46 39.88 3gg9 s ILE 98 CO 0.39 0.46 1.57 -0.62 0.00 0.00 0.00 174.94 176.74 3gg9 s ASP 99 N 0.68 6.09 0.23 3.58 -1.08 -0.35 -4.86 116.67 120.96 3gg9 s ASP 99 Ca -0.02 -1.08 -0.05 0.00 -0.52 0.00 0.00 52.55 50.89 3gg9 s ASP 99 Cb -0.14 -2.56 0.22 0.00 -1.46 0.00 0.00 42.92 38.97 3gg9 s ASP 99 CO 0.02 -1.88 1.73 -0.07 0.52 0.00 0.00 175.17 175.49 3gg9 h LEU 100 N 14.18 0.91 -0.33 -1.34 3.38 -1.93 -1.54 115.31 128.64 3gg9 h LEU 100 Ca 0.10 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.87 3gg9 h LEU 100 Cb 1.02 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 3gg9 h LEU 100 CO 1.35 0.94 0.17 -0.33 0.09 0.00 0.00 178.44 180.66 3gg9 h GLU 101 N 0.89 0.34 -0.64 1.13 3.07 -2.00 -0.95 114.58 116.42 3gg9 h GLU 101 Ca 0.17 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 58.94 3gg9 h GLU 101 Cb 0.45 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.26 3gg9 h GLU 101 CO 0.02 0.22 0.12 0.00 -1.40 0.00 0.00 179.01 177.97 3gg9 h ALA 102 N 1.17 1.01 -0.03 3.43 0.00 -1.91 -1.50 119.26 121.43 3gg9 h ALA 102 Ca 0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3gg9 h ALA 102 Cb 0.04 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3gg9 h ALA 102 CO -0.09 0.63 0.02 0.00 0.00 0.00 0.00 179.25 179.81 3gg9 h THR 104 N -0.00 0.69 -0.77 0.00 2.02 -0.95 0.31 112.91 114.20 3gg9 h THR 104 Ca 0.01 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 3gg9 h THR 104 Cb 0.04 0.69 -0.10 0.00 -1.74 0.00 0.00 68.15 67.04 3gg9 h THR 104 CO -0.00 0.00 0.32 0.44 0.37 0.00 0.00 175.52 176.65 3gg9 h ASP 105 N -0.04 0.31 0.70 4.18 3.32 -1.23 -0.03 116.42 123.62 3gg9 h ASP 105 Ca 0.13 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3gg9 h ASP 105 Cb 0.24 0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3gg9 h ASP 105 CO -0.28 0.11 0.00 0.29 -1.72 0.00 0.00 179.24 177.64 3gg9 n LYS 106 N -4.99 0.09 -1.69 3.56 4.76 -0.79 -4.90 118.16 114.19 3gg9 n LYS 106 Ca 0.15 0.09 -0.08 0.00 -2.87 0.00 0.00 58.31 55.60 3gg9 n LYS 106 Cb 0.43 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.10 3gg9 n LYS 106 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gg9 n GLY 107 N 0.83 0.51 3.66 0.72 0.00 -0.02 -5.03 105.19 105.86 3gg9 n GLY 107 Ca 0.07 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.34 5.11 -0.05 1.61 1.01 1.00 -4.89 120.40 121.85 3gg9 s VAL 108 Ca 0.00 0.93 -0.25 0.00 0.00 0.00 0.00 61.98 62.66 3gg9 s VAL 108 Cb 0.00 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 3gg9 s VAL 108 CO 0.00 0.18 0.75 0.68 0.00 0.00 0.00 175.10 176.71 3gg9 s VAL 109 N 1.60 5.02 -0.27 2.92 -7.23 -0.75 -3.98 120.40 117.71 3gg9 s VAL 109 Ca 0.24 1.55 -0.11 0.00 -1.81 0.00 0.00 61.98 61.85 3gg9 s VAL 109 Cb -0.15 -4.09 -0.05 0.00 0.56 0.00 0.00 36.38 32.65 3gg9 s VAL 109 CO 0.09 0.24 0.17 -0.69 -0.31 0.00 0.00 175.10 174.60 3gg9 s VAL 110 N 0.83 5.22 -0.16 1.32 1.01 -1.26 -0.51 120.40 126.85 3gg9 s VAL 110 Ca 0.40 0.14 -0.10 0.00 0.00 0.00 0.00 61.98 62.42 3gg9 s VAL 110 Cb -0.18 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 3gg9 s VAL 110 CO 0.20 0.28 0.17 -0.76 0.00 0.00 0.00 175.10 174.98 3gg9 s LEU 111 N 1.61 4.28 -0.17 3.92 1.43 0.12 0.12 118.68 130.00 3gg9 s LEU 111 Ca 0.07 0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 53.47 3gg9 s LEU 111 Cb -0.15 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 3gg9 s LEU 111 CO 0.09 0.25 0.09 -0.70 0.23 0.00 0.00 176.35 176.31 3gg9 s GLU 112 N -0.11 3.86 0.00 1.70 2.12 0.14 -0.65 118.70 125.76 3gg9 s GLU 112 Ca 0.12 -0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.18 3gg9 s GLU 112 Cb -0.12 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 31.04 3gg9 s GLU 112 CO 0.01 0.41 0.00 0.41 -0.54 0.00 0.00 175.26 175.55 3gg9 n GLY 113 N 3.14 2.40 2.99 -1.50 0.00 -0.64 -4.87 105.19 106.70 3gg9 n GLY 113 Ca -0.17 -2.03 -0.18 0.00 0.00 0.00 0.00 46.02 43.64 3gg9 n GLY 113 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gg9 s LYS 114 N 2.92 0.68 0.55 1.61 2.20 -1.26 -4.11 119.74 122.33 3gg9 s LYS 114 Ca 0.00 -0.26 0.08 0.00 -0.36 0.00 0.00 55.97 55.43 3gg9 s LYS 114 Cb 0.00 -0.66 0.07 0.00 -1.51 0.00 0.00 37.83 35.72 3gg9 s LYS 114 CO 0.00 0.14 0.66 0.20 -0.36 0.00 0.00 175.35 175.98 3gg9 s GLY 115 N -0.03 1.94 -0.00 5.54 0.00 -1.26 -4.23 107.32 109.27 3gg9 s GLY 115 Ca 0.01 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 42.87 3gg9 s GLY 115 CO -0.00 -1.75 -0.01 -0.45 0.00 0.00 0.00 173.10 170.89 3gg9 s SER 116 N -4.52 0.13 0.02 1.64 0.15 -1.26 -5.05 113.70 104.80 3gg9 s SER 116 Ca 0.53 -0.02 0.28 0.00 0.70 0.00 0.00 55.95 57.44 3gg9 s SER 116 Cb -0.05 -0.01 1.02 0.00 -1.71 0.00 0.00 66.02 65.27 3gg9 s SER 116 CO 0.33 0.01 1.79 -0.81 1.20 0.00 0.00 173.24 175.76 3gg9 n PRO 117 N 3.05 0.03 0.22 5.44 -0.04 -1.26 -4.52 135.00 137.91 3gg9 n PRO 117 Ca -0.12 0.02 -0.11 0.00 -0.04 0.00 0.00 63.50 63.25 3gg9 n PRO 117 Cb 0.60 -1.53 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.17 -0.40 0.52 2.07 -1.97 -1.78 116.25 114.86 3gg9 h VAL 118 Ca 0.00 -0.57 0.06 0.00 0.82 0.00 0.00 66.70 67.01 3gg9 h VAL 118 Cb 0.53 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 3gg9 h VAL 118 CO 0.00 0.04 0.09 0.00 0.02 0.00 0.00 177.57 177.72 3gg9 h ALA 119 N -0.98 0.44 0.00 1.67 0.00 -1.83 0.11 119.26 118.67 3gg9 h ALA 119 Ca -0.06 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3gg9 h ALA 119 Cb 0.53 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3gg9 h ALA 119 CO 0.10 -0.31 -0.31 -1.00 0.00 0.00 0.00 179.25 177.73 3gg9 h PRO 120 N 0.22 0.00 -0.34 0.00 0.13 -1.47 0.22 132.00 130.76 3gg9 h PRO 120 Ca 0.19 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.27 3gg9 h PRO 120 Cb 0.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.34 3gg9 h PRO 120 CO -0.24 0.31 0.00 0.00 -0.23 0.00 0.00 178.00 177.84 3gg9 h ALA 121 N 1.69 0.46 -0.66 -0.56 0.00 -0.64 -1.43 119.26 118.13 3gg9 h ALA 121 Ca -0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3gg9 h ALA 121 Cb 0.55 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3gg9 h ALA 121 CO 0.04 0.22 0.12 0.93 0.00 0.00 0.00 179.25 180.56 3gg9 h GLU 122 N 0.41 1.08 -0.52 0.00 5.08 -0.55 -1.97 114.58 118.10 3gg9 h GLU 122 Ca 0.10 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 3gg9 h GLU 122 Cb 0.45 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3gg9 h GLU 122 CO 0.02 0.98 0.22 1.25 -1.00 0.00 0.00 179.01 180.48 3gg9 h LEU 123 N 1.01 0.71 -0.42 1.33 7.12 -0.90 0.46 115.31 124.62 3gg9 h LEU 123 Ca 0.20 -0.16 0.06 0.00 0.13 0.00 0.00 57.88 58.12 3gg9 h LEU 123 Cb 0.42 -0.18 -0.05 0.00 -0.53 0.00 0.00 40.66 40.31 3gg9 h LEU 123 CO 0.01 0.67 0.10 0.74 -0.13 0.00 0.00 178.44 179.84 3gg9 h THR 124 N 0.70 0.80 -0.27 1.05 2.02 -1.05 -0.19 112.91 115.97 3gg9 h THR 124 Ca 0.18 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 3gg9 h THR 124 Cb 0.18 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3gg9 h THR 124 CO -0.02 0.04 0.08 -0.25 0.37 0.00 0.00 175.52 175.75 3gg9 h TRP 125 N 0.24 0.44 -0.82 3.16 2.91 -0.77 -0.44 115.95 120.68 3gg9 h TRP 125 Ca 0.20 -0.04 0.18 0.00 1.13 0.00 0.00 58.89 60.36 3gg9 h TRP 125 Cb 0.23 -0.13 -0.12 0.00 -0.51 0.00 0.00 29.16 28.64 3gg9 h TRP 125 CO -0.19 0.48 0.29 0.00 -1.03 0.00 0.00 178.44 177.99 3gg9 h ALA 126 N 0.92 1.19 -0.43 2.65 0.00 -0.55 -0.26 119.26 122.78 3gg9 h ALA 126 Ca 0.09 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3gg9 h ALA 126 Cb 0.24 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3gg9 h ALA 126 CO -0.00 -0.32 -0.00 -0.07 0.00 0.00 0.00 179.25 178.86 3gg9 h LEU 127 N 0.36 0.74 -0.43 0.00 3.38 -0.43 0.93 115.31 119.85 3gg9 h LEU 127 Ca 0.48 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 58.18 3gg9 h LEU 127 Cb 0.85 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3gg9 h LEU 127 CO -0.51 0.87 0.19 0.58 0.09 0.00 0.00 178.44 179.66 3gg9 h VAL 128 N 0.59 0.94 -0.08 1.22 2.07 -0.23 -1.32 116.25 119.43 3gg9 h VAL 128 Ca 0.12 -0.13 -0.23 0.00 0.82 0.00 0.00 66.70 67.28 3gg9 h VAL 128 Cb 0.49 0.51 0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3gg9 h VAL 128 CO 0.02 0.07 -0.85 0.24 0.02 0.00 0.00 177.57 177.07 3gg9 h MET 129 N 0.39 0.65 -0.93 1.57 2.86 -0.91 -1.44 114.93 117.13 3gg9 h MET 129 Ca 0.19 -0.59 -0.01 0.00 -2.06 0.00 0.00 59.70 57.23 3gg9 h MET 129 Cb 0.12 0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 3gg9 h MET 129 CO -0.15 1.20 0.55 0.00 1.06 0.00 0.00 176.91 179.56 3gg9 h ALA 130 N 0.62 1.18 0.02 6.32 0.00 -0.77 -1.59 119.26 125.04 3gg9 h ALA 130 Ca -0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3gg9 h ALA 130 Cb 1.48 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3gg9 h ALA 130 CO 0.16 0.65 -0.01 0.00 0.00 0.00 0.00 179.25 180.05 3gg9 h ALA 131 N 1.30 -0.03 -0.42 0.00 0.00 -1.16 0.78 119.26 119.73 3gg9 h ALA 131 Ca 0.33 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3gg9 h ALA 131 Cb -0.03 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3gg9 h ALA 131 CO -0.06 -0.20 0.17 1.96 0.00 0.00 0.00 179.25 181.12 3gg9 h GLN 132 N -0.66 0.60 -0.31 0.00 1.08 -1.21 -1.11 115.11 113.50 3gg9 h GLN 132 Ca -0.00 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3gg9 h GLN 132 Cb 0.61 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 3gg9 h GLN 132 CO 0.01 0.50 0.00 0.54 -0.95 0.00 0.00 178.83 178.92 3gg9 n ARG 133 N -4.37 2.19 -3.72 1.46 5.12 -0.61 -1.08 116.66 115.66 3gg9 n ARG 133 Ca 0.03 -1.80 -0.28 0.00 -1.93 0.00 0.00 57.85 53.86 3gg9 n ARG 133 Cb 0.15 -1.46 0.02 0.00 -1.16 0.00 0.00 32.46 30.00 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 1.02 -4.94 0.10 5.56 3.00 -0.42 -4.66 116.66 116.32 3gg9 n ARG 134 Ca 0.18 0.59 -0.13 0.00 -0.01 0.00 0.00 57.85 58.49 3gg9 n ARG 134 Cb 0.49 -5.44 -0.06 0.00 0.00 0.00 0.00 32.46 27.44 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 -1.77 0.74 -0.82 0.55 2.04 -1.16 -1.32 117.51 115.77 3gg9 h ILE 135 Ca -0.54 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 3gg9 h ILE 135 Cb 1.36 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 3gg9 h ILE 135 CO 0.64 0.00 0.45 -0.65 0.00 0.00 0.00 178.15 178.59 3gg9 h PRO 136 N -0.26 1.15 -0.35 2.37 0.11 -1.91 0.27 132.00 133.38 3gg9 h PRO 136 Ca 0.00 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.99 3gg9 h PRO 136 Cb 0.25 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 3gg9 h PRO 136 CO -0.03 0.84 0.23 1.96 -0.21 0.00 0.00 178.00 180.79 3gg9 h GLN 137 N 1.15 0.46 -0.47 1.05 7.50 -1.86 -1.05 115.11 121.89 3gg9 h GLN 137 Ca 0.29 -0.03 -0.11 0.00 0.50 0.00 0.00 58.65 59.30 3gg9 h GLN 137 Cb 0.03 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 27.44 3gg9 h GLN 137 CO -0.05 0.30 -0.15 1.88 -1.50 0.00 0.00 178.83 179.31 3gg9 h TYR 138 N 0.47 1.05 -0.42 2.96 0.05 -0.87 -2.21 116.97 118.00 3gg9 h TYR 138 Ca 0.13 -0.24 -0.07 0.00 0.05 0.00 0.00 58.73 58.60 3gg9 h TYR 138 Cb -0.05 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.42 3gg9 h TYR 138 CO -0.05 1.03 0.00 0.28 -1.05 0.00 0.00 178.16 178.37 3gg9 h VAL 139 N 0.77 1.26 -0.04 -2.88 2.07 -0.86 -1.78 116.25 114.80 3gg9 h VAL 139 Ca 0.11 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 3gg9 h VAL 139 Cb 0.71 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3gg9 h VAL 139 CO 0.05 0.35 0.01 0.00 0.02 0.00 0.00 177.57 178.00 3gg9 h ALA 140 N 0.90 0.05 -0.70 1.67 0.00 -1.19 -2.54 119.26 117.45 3gg9 h ALA 140 Ca 0.12 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3gg9 h ALA 140 Cb 0.48 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3gg9 h ALA 140 CO 0.02 -0.32 0.40 0.77 0.00 0.00 0.00 179.25 180.12 3gg9 h SER 141 N -0.17 0.60 -0.57 0.00 0.02 -1.40 -2.44 113.55 109.59 3gg9 h SER 141 Ca 0.01 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3gg9 h SER 141 Cb 0.25 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 3gg9 h SER 141 CO 0.00 0.39 0.36 0.25 -1.14 0.00 0.00 176.83 176.69 3gg9 h LEU 142 N 0.74 0.61 -2.06 5.07 5.85 -1.22 -0.33 115.31 123.97 3gg9 h LEU 142 Ca 0.31 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 3gg9 h LEU 142 Cb 0.18 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 3gg9 h LEU 142 CO -0.18 0.44 -0.08 0.11 -0.34 0.00 0.00 178.44 178.39 3gg9 h LYS 143 N 0.73 0.00 -0.51 1.25 1.57 -1.13 0.30 116.57 118.78 3gg9 h LYS 143 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3gg9 h LYS 143 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3gg9 h LYS 143 CO -0.07 0.08 0.00 0.72 -0.57 0.00 0.00 179.45 179.61 3gg9 n HIS 144 N -3.98 0.66 -1.01 -1.35 8.25 -0.54 -4.93 115.22 112.33 3gg9 n HIS 144 Ca -0.03 -0.28 -0.00 0.00 -0.26 0.00 0.00 57.72 57.16 3gg9 n HIS 144 Cb 0.17 -0.10 -0.00 0.00 1.12 0.00 0.00 29.99 31.17 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 0.80 0.47 3.49 -1.41 0.00 0.10 -5.02 105.19 103.61 3gg9 n GLY 145 Ca 0.12 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.99 3.43 -0.22 4.61 0.00 -0.24 -4.98 121.76 122.36 3gg9 s ALA 146 Ca 0.00 -1.45 -0.26 0.00 0.00 0.00 0.00 51.96 50.25 3gg9 s ALA 146 Cb 0.00 -2.62 -0.00 0.00 0.00 0.00 0.00 23.12 20.50 3gg9 s ALA 146 CO 0.00 -1.04 0.91 -0.46 0.00 0.00 0.00 175.76 175.17 3gg9 s TRP 147 N 1.68 3.34 -1.12 0.00 -0.11 -1.26 -2.99 118.94 118.47 3gg9 s TRP 147 Ca 0.05 1.28 -0.02 0.00 1.22 0.00 0.00 56.10 58.64 3gg9 s TRP 147 Cb -0.18 -3.12 -0.02 0.00 -1.50 0.00 0.00 33.47 28.65 3gg9 s TRP 147 CO 0.09 -0.40 0.95 0.94 -4.62 0.00 0.00 176.95 173.91 3gg9 n GLN 148 N 5.96 -5.28 -4.50 5.86 7.27 -1.26 -5.01 117.38 120.41 3gg9 n GLN 148 Ca 0.08 0.83 -0.23 0.00 0.07 0.00 0.00 57.00 57.74 3gg9 n GLN 148 Cb 0.47 -5.75 -0.16 0.00 2.41 0.00 0.00 30.24 27.20 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 -5.06 1.45 0.00 3.69 -1.52 -1.26 -5.02 119.66 111.94 3gg9 s GLN 149 Ca 0.12 -0.35 0.00 0.00 -1.95 0.00 0.00 55.36 53.18 3gg9 s GLN 149 Cb -0.02 -1.24 0.00 0.00 -0.22 0.00 0.00 33.01 31.53 3gg9 s GLN 149 CO 0.71 0.03 0.59 -1.13 -0.25 0.00 0.00 175.29 175.25 3gg9 n SER 150 N 3.75 1.14 0.00 5.90 3.41 -1.26 -4.18 113.62 122.38 3gg9 n SER 150 Ca -0.23 -1.28 0.00 0.00 -0.26 0.00 0.00 58.87 57.10 3gg9 n SER 150 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3gg9 n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gg9 n GLY 151 N -0.14 1.02 2.31 5.00 0.00 -1.26 -4.78 105.19 107.34 3gg9 n GLY 151 Ca 0.00 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.09 3gg9 n GLY 151 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gg9 n LEU 152 N 0.00 -1.71 -1.63 0.99 4.77 -1.26 -4.45 117.00 113.72 3gg9 n LEU 152 Ca 0.00 0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 3gg9 n LEU 152 Cb 0.00 -2.38 0.13 0.00 -2.33 0.00 0.00 43.42 38.84 3gg9 n LEU 152 CO 0.00 -0.20 0.72 2.29 -1.33 0.00 0.00 177.39 178.87 3gg9 n LYS 153 N -2.55 2.44 -1.80 3.23 2.85 -1.26 -3.97 118.16 117.10 3gg9 n LYS 153 Ca -0.19 -3.45 -0.33 0.00 -1.05 0.00 0.00 58.31 53.29 3gg9 n LYS 153 Cb 0.64 -2.03 0.04 0.00 -0.65 0.00 0.00 35.03 33.03 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 -2.64 5.22 0.36 -5.58 0.15 -1.26 -4.95 113.70 105.00 3gg9 s SER 154 Ca 0.50 1.97 0.27 0.00 0.70 0.00 0.00 55.95 59.39 3gg9 s SER 154 Cb 0.43 -2.55 0.95 0.00 -1.71 0.00 0.00 66.02 63.14 3gg9 s SER 154 CO 0.01 -1.55 1.79 0.71 1.20 0.00 0.00 173.24 175.39 3gg9 h THR 155 N 0.10 0.00 0.00 6.45 1.35 -1.98 -2.75 112.91 116.08 3gg9 h THR 155 Ca -0.47 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 3gg9 h THR 155 Cb 1.24 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 3gg9 h THR 155 CO 0.55 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 176.53 3gg9 h THR 156 N 0.00 0.00 -3.14 6.82 1.35 -1.99 -3.46 112.91 112.49 3gg9 h THR 156 Ca 0.00 -0.67 -0.52 0.00 -0.55 0.00 0.00 66.41 64.67 3gg9 h THR 156 Cb 0.60 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 3gg9 h THR 156 CO 0.00 0.00 -0.19 -0.04 -0.25 0.00 0.00 175.52 175.04 3gg9 s MET 157 N -3.42 3.62 0.82 4.72 1.00 -1.04 -4.92 119.30 120.07 3gg9 s MET 157 Ca 0.04 -0.05 -0.14 0.00 0.00 0.00 0.00 55.69 55.54 3gg9 s MET 157 Cb 0.08 -2.69 0.03 0.00 0.00 0.00 0.00 34.83 32.24 3gg9 s MET 157 CO 0.58 0.27 0.77 -0.35 0.00 0.00 0.00 175.02 176.29 3gg9 n PRO 158 N -0.79 0.10 -1.77 2.03 -0.04 -1.26 -4.93 135.00 128.34 3gg9 n PRO 158 Ca -0.02 0.09 -0.42 0.00 -0.04 0.00 0.00 63.50 63.11 3gg9 n PRO 158 Cb 0.54 -2.08 -0.02 0.00 -0.04 0.00 0.00 33.50 31.89 3gg9 n PRO 158 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3gg9 s PRO 159 N -3.53 4.13 -1.42 0.54 0.02 -1.26 -2.80 135.00 130.67 3gg9 s PRO 159 Ca 0.66 2.57 -0.07 0.00 0.02 0.00 0.00 61.00 64.19 3gg9 s PRO 159 Cb -0.29 -3.05 0.04 0.00 0.02 0.00 0.00 34.50 31.22 3gg9 s PRO 159 CO 0.57 -0.67 0.55 0.09 -0.33 0.00 0.00 177.00 177.21 3gg9 n ASN 160 N 2.91 -5.00 0.24 2.53 3.02 -1.26 -4.90 115.26 112.80 3gg9 n ASN 160 Ca 0.11 -0.32 0.13 0.00 -0.03 0.00 0.00 54.58 54.46 3gg9 n ASN 160 Cb 0.37 -4.08 0.55 0.00 -0.61 0.00 0.00 39.78 36.01 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 -1.18 0.00 0.00 3.10 3.57 -1.77 -2.67 116.94 118.00 3gg9 h PHE 161 Ca -0.48 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.02 3gg9 h PHE 161 Cb 1.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.07 3gg9 h PHE 161 CO 0.60 0.14 0.00 0.78 -2.23 0.00 0.00 178.31 177.60 3gg9 h GLY 162 N 2.02 0.00 -3.94 2.40 0.00 -1.78 -3.44 103.07 98.33 3gg9 h GLY 162 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 3gg9 h GLY 162 CO 0.02 0.00 -0.09 -0.42 0.00 0.00 0.00 176.54 176.04 3gg9 s ILE 163 N -3.57 4.88 0.97 2.60 1.09 -1.01 -4.68 121.20 121.48 3gg9 s ILE 163 Ca 0.02 0.71 -0.10 0.00 -1.10 0.00 0.00 60.65 60.17 3gg9 s ILE 163 Cb 0.09 -3.69 0.17 0.00 -1.06 0.00 0.00 42.46 37.98 3gg9 s ILE 163 CO 0.45 0.13 1.13 -0.83 -0.10 0.00 0.00 174.94 175.72 3gg9 s GLY 164 N -1.94 1.66 -0.02 6.18 0.00 -1.26 -4.96 107.32 106.98 3gg9 s GLY 164 Ca 0.41 0.48 0.04 0.00 0.00 0.00 0.00 44.72 45.65 3gg9 s GLY 164 CO 0.20 0.95 -0.14 0.50 0.00 0.00 0.00 173.10 174.61 3gg9 s ARG 165 N -4.60 1.25 0.44 2.90 0.52 -0.24 -4.99 118.95 114.23 3gg9 s ARG 165 Ca 0.67 -0.49 -0.21 0.00 -0.52 0.00 0.00 55.73 55.18 3gg9 s ARG 165 Cb -0.23 -1.17 -0.10 0.00 0.52 0.00 0.00 34.95 33.97 3gg9 s ARG 165 CO 0.59 0.26 1.00 0.54 0.02 0.00 0.00 175.30 177.71 3gg9 s VAL 166 N -0.16 4.02 -0.13 3.52 0.11 -1.26 -4.58 120.40 121.92 3gg9 s VAL 166 Ca 0.02 1.32 -0.17 0.00 -2.93 0.00 0.00 61.98 60.22 3gg9 s VAL 166 Cb -0.07 -3.57 -0.15 0.00 -1.53 0.00 0.00 36.38 31.06 3gg9 s VAL 166 CO 0.00 -0.21 0.42 -0.07 -3.33 0.00 0.00 175.10 171.91 3gg9 h LEU 167 N 1.91 0.00 -9.01 2.54 3.38 -1.98 -3.45 115.31 108.71 3gg9 h LEU 167 Ca -0.49 -0.57 -0.80 0.00 0.09 0.00 0.00 57.88 56.11 3gg9 h LEU 167 Cb 1.20 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.00 3gg9 h LEU 167 CO 0.61 0.84 0.19 1.17 0.09 0.00 0.00 178.44 181.33 3gg9 n LYS 168 N -4.66 0.04 -0.46 1.13 4.81 -1.18 -1.02 118.16 116.82 3gg9 n LYS 168 Ca -0.08 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 3gg9 n LYS 168 Cb 0.31 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 33.84 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 1.98 1.90 3.92 3.14 0.00 0.37 -4.93 105.19 111.57 3gg9 n GLY 169 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.04 3.54 -0.37 1.61 -1.52 -0.19 -4.72 119.66 117.97 3gg9 s GLN 170 Ca 0.00 -0.01 -0.18 0.00 -1.95 0.00 0.00 55.36 53.23 3gg9 s GLN 170 Cb 0.00 -2.51 0.00 0.00 -0.22 0.00 0.00 33.01 30.28 3gg9 s GLN 170 CO 0.00 -0.02 0.49 0.99 -0.25 0.00 0.00 175.29 176.51 3gg9 s THR 171 N -2.49 5.03 -0.41 -0.19 2.01 -1.26 -0.88 115.64 117.44 3gg9 s THR 171 Ca 0.44 0.13 -0.25 0.00 0.31 0.00 0.00 61.69 62.33 3gg9 s THR 171 Cb -0.10 -3.99 0.02 0.00 0.01 0.00 0.00 72.50 68.44 3gg9 s THR 171 CO 0.39 -0.29 0.87 -0.22 -0.69 0.00 0.00 174.62 174.69 3gg9 s LEU 172 N 2.34 4.06 0.01 4.42 2.96 -0.78 -0.95 118.68 130.74 3gg9 s LEU 172 Ca 0.17 0.28 -0.19 0.00 -0.22 0.00 0.00 54.13 54.16 3gg9 s LEU 172 Cb -0.16 -3.15 -0.06 0.00 0.50 0.00 0.00 46.19 43.33 3gg9 s LEU 172 CO 0.14 -0.90 0.56 -0.83 -1.32 0.00 0.00 176.35 174.00 3gg9 s GLY 173 N 2.04 2.61 -0.18 7.98 0.00 0.75 -0.51 107.32 120.00 3gg9 s GLY 173 Ca 0.35 -0.01 0.01 0.00 0.00 0.00 0.00 44.72 45.07 3gg9 s GLY 173 CO 0.22 0.60 -0.14 -0.42 0.00 0.00 0.00 173.10 173.36 3gg9 s ILE 174 N -0.52 1.79 -0.66 0.90 -1.09 0.06 -1.61 121.20 120.07 3gg9 s ILE 174 Ca 0.29 -0.94 -0.14 0.00 -2.23 0.00 0.00 60.65 57.64 3gg9 s ILE 174 Cb -0.18 -1.74 0.17 0.00 -1.58 0.00 0.00 42.46 39.13 3gg9 s ILE 174 CO 0.17 0.34 0.60 0.12 -1.23 0.00 0.00 174.94 174.94 3gg9 s PHE 175 N 1.37 3.51 0.00 3.97 5.99 -0.55 -0.47 117.98 131.78 3gg9 s PHE 175 Ca 0.02 -1.76 0.00 0.00 0.00 0.00 0.00 56.93 55.19 3gg9 s PHE 175 Cb -0.15 -3.74 0.00 0.00 0.00 0.00 0.00 43.02 39.14 3gg9 s PHE 175 CO -0.10 -0.99 0.00 0.41 -0.00 0.00 0.00 175.22 174.54 3gg9 n GLY 176 N 4.53 1.69 2.75 13.12 0.00 -0.20 0.93 105.19 128.02 3gg9 n GLY 176 Ca 0.00 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 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 1.06 3.04 -0.58 1.61 9.36 -1.26 -4.17 117.16 126.22 3gg9 n TYR 177 Ca 0.00 -2.69 0.00 0.00 3.32 0.00 0.00 57.90 58.53 3gg9 n TYR 177 Cb 0.00 -1.02 0.00 0.00 -0.63 0.00 0.00 39.34 37.69 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 -0.28 0.62 0.30 2.98 0.00 -1.26 -4.66 105.19 102.89 3gg9 n GLY 178 Ca 0.47 -1.72 -0.08 0.00 0.00 0.00 0.00 46.02 44.68 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 1.02 0.24 1.61 1.57 -1.93 -1.08 116.57 118.00 3gg9 h LYS 179 Ca 0.00 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 3gg9 h LYS 179 Cb 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3gg9 h LYS 179 CO 0.00 1.00 -0.12 0.82 -0.57 0.00 0.00 179.45 180.58 3gg9 h ILE 180 N 0.93 0.70 -0.98 1.86 2.04 -1.93 -3.04 117.51 117.09 3gg9 h ILE 180 Ca 0.17 -0.89 0.20 0.00 1.00 0.00 0.00 64.86 65.35 3gg9 h ILE 180 Cb 0.54 1.12 -0.11 0.00 -0.74 0.00 0.00 36.82 37.63 3gg9 h ILE 180 CO 0.03 0.16 0.58 1.23 0.00 0.00 0.00 178.15 180.15 3gg9 h GLY 181 N -0.86 1.78 0.80 5.37 0.00 -1.72 -0.88 103.07 107.56 3gg9 h GLY 181 Ca -0.03 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.00 3gg9 h GLY 181 CO 0.05 -0.13 0.16 -1.61 0.00 0.00 0.00 176.54 175.02 3gg9 h GLN 182 N 0.68 0.33 -0.41 4.80 4.15 -1.26 -0.93 115.11 122.47 3gg9 h GLN 182 Ca 0.59 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.91 3gg9 h GLN 182 Cb 0.98 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.58 3gg9 h GLN 182 CO -0.42 0.22 -0.06 -0.07 -1.93 0.00 0.00 178.83 176.57 3gg9 h LEU 183 N 0.34 0.77 -0.75 -2.39 3.38 -1.08 -2.58 115.31 113.00 3gg9 h LEU 183 Ca 0.15 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 3gg9 h LEU 183 Cb 0.08 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3gg9 h LEU 183 CO -0.12 0.93 0.29 0.58 0.09 0.00 0.00 178.44 180.21 3gg9 h VAL 184 N 0.59 1.26 -0.22 1.22 2.07 -1.15 -1.35 116.25 118.66 3gg9 h VAL 184 Ca 0.11 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 3gg9 h VAL 184 Cb 0.58 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3gg9 h VAL 184 CO 0.03 0.33 -0.05 0.00 0.02 0.00 0.00 177.57 177.91 3gg9 h ALA 185 N 1.15 1.51 -0.06 1.67 0.00 -1.12 -1.68 119.26 120.72 3gg9 h ALA 185 Ca 0.25 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3gg9 h ALA 185 Cb 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3gg9 h ALA 185 CO -0.02 0.35 -0.46 0.78 0.00 0.00 0.00 179.25 179.90 3gg9 h GLY 186 N 0.71 0.16 0.95 0.00 0.00 -0.87 -2.21 103.07 101.80 3gg9 h GLY 186 Ca 0.07 -0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.13 3gg9 h GLY 186 CO 0.01 0.14 -0.28 -0.97 0.00 0.00 0.00 176.54 175.45 3gg9 h TYR 187 N 0.12 0.80 -0.57 5.60 0.99 -0.88 -2.57 116.97 120.45 3gg9 h TYR 187 Ca 0.01 -0.24 0.11 0.00 2.00 0.00 0.00 58.73 60.60 3gg9 h TYR 187 Cb 0.86 -0.17 -0.09 0.00 1.00 0.00 0.00 36.73 38.33 3gg9 h TYR 187 CO 0.01 0.97 0.09 0.78 -0.00 0.00 0.00 178.16 180.01 3gg9 h GLY 188 N 0.39 0.70 0.74 3.88 0.00 -1.17 -2.24 103.07 105.36 3gg9 h GLY 188 Ca 0.04 -0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.41 3gg9 h GLY 188 CO 0.07 -0.12 0.14 -0.09 0.00 0.00 0.00 176.54 176.53 3gg9 h ARG 189 N 0.22 0.29 0.00 4.80 1.12 -1.34 -1.06 114.38 118.41 3gg9 h ARG 189 Ca 0.30 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.15 3gg9 h ARG 189 Cb 0.44 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.34 3gg9 h ARG 189 CO -0.41 0.19 0.00 0.00 -3.11 0.00 0.00 179.97 176.64 3gg9 h ALA 190 N 1.21 1.00 -0.09 2.80 0.00 -1.00 -1.94 119.26 121.24 3gg9 h ALA 190 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3gg9 h ALA 190 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3gg9 h ALA 190 CO -0.15 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.29 3gg9 n PHE 191 N -3.04 0.08 -1.95 0.00 3.72 -0.50 -4.98 117.46 110.79 3gg9 n PHE 191 Ca -0.01 -0.04 -0.02 0.00 -0.05 0.00 0.00 57.45 57.32 3gg9 n PHE 191 Cb 0.16 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.70 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 1.37 0.30 3.92 1.37 0.00 -0.64 -3.09 105.19 108.42 3gg9 n GLY 192 Ca 0.15 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.94 2.87 -0.41 1.61 -1.94 -0.74 -0.48 119.30 116.28 3gg9 s MET 193 Ca 0.00 -0.01 -0.15 0.00 -1.71 0.00 0.00 55.69 53.82 3gg9 s MET 193 Cb 0.00 -2.26 0.02 0.00 2.01 0.00 0.00 34.83 34.60 3gg9 s MET 193 CO 0.00 -0.74 0.31 -0.80 -0.01 0.00 0.00 175.02 173.78 3gg9 s ASN 194 N -4.32 6.12 -0.03 3.03 0.01 -0.06 -4.63 114.94 115.06 3gg9 s ASN 194 Ca 0.54 -0.85 -0.29 0.00 -0.71 0.00 0.00 52.86 51.55 3gg9 s ASN 194 Cb -0.11 -2.17 -0.03 0.00 0.41 0.00 0.00 41.25 39.36 3gg9 s ASN 194 CO 0.45 -0.45 0.96 -0.69 -1.51 0.00 0.00 177.10 175.85 3gg9 s VAL 195 N 1.74 4.87 -0.07 1.60 1.01 -1.26 -1.87 120.40 126.41 3gg9 s VAL 195 Ca 0.06 1.99 -0.01 0.00 0.00 0.00 0.00 61.98 64.02 3gg9 s VAL 195 Cb -0.19 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 3gg9 s VAL 195 CO 0.10 0.14 -0.01 -0.76 0.00 0.00 0.00 175.10 174.57 3gg9 s LEU 196 N 1.20 3.49 -0.03 3.92 1.43 0.33 -3.58 118.68 125.44 3gg9 s LEU 196 Ca 0.50 0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.74 3gg9 s LEU 196 Cb -0.20 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 3gg9 s LEU 196 CO 0.25 0.36 -0.18 -0.69 0.23 0.00 0.00 176.35 176.32 3gg9 s VAL 197 N -0.90 1.48 0.05 -1.59 1.01 -0.67 -0.76 120.40 119.01 3gg9 s VAL 197 Ca 0.14 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.37 3gg9 s VAL 197 Cb -0.11 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 3gg9 s VAL 197 CO 0.03 0.42 -0.08 0.86 0.00 0.00 0.00 175.10 176.34 3gg9 s TRP 198 N -0.23 0.70 -0.19 5.22 -0.11 0.38 -1.43 118.94 123.27 3gg9 s TRP 198 Ca 0.02 -0.55 0.00 0.00 1.22 0.00 0.00 56.10 56.79 3gg9 s TRP 198 Cb -0.09 -0.42 0.00 0.00 -1.50 0.00 0.00 33.47 31.46 3gg9 s TRP 198 CO 0.01 -0.09 0.00 0.41 -4.62 0.00 0.00 176.95 172.65 3gg9 n GLY 199 N 1.28 -0.92 2.37 5.86 0.00 -1.26 -1.04 105.19 111.49 3gg9 n GLY 199 Ca -0.22 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 3gg9 n GLY 199 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3gg9 n ARG 200 N 0.00 0.50 -0.32 1.61 1.85 -1.26 -4.85 116.66 114.20 3gg9 n ARG 200 Ca 0.00 -1.79 0.02 0.00 -1.00 0.00 0.00 57.85 55.08 3gg9 n ARG 200 Cb 0.00 -0.26 0.16 0.00 -1.05 0.00 0.00 32.46 31.31 3gg9 n ARG 200 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 3gg9 h GLU 201 N 0.00 0.92 -0.56 2.89 4.57 -2.01 -1.40 114.58 118.99 3gg9 h GLU 201 Ca -0.18 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 57.92 3gg9 h GLU 201 Cb 0.75 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 29.11 3gg9 h GLU 201 CO 0.23 0.61 0.24 -0.91 -1.18 0.00 0.00 179.01 178.00 3gg9 h ASN 202 N 0.95 0.73 -0.25 1.04 4.21 -2.00 -2.42 115.58 117.83 3gg9 h ASN 202 Ca 0.40 -0.08 -0.03 0.00 1.21 0.00 0.00 56.30 57.79 3gg9 h ASN 202 Cb 0.25 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.25 3gg9 h ASN 202 CO -0.20 0.64 0.03 0.28 -1.29 0.00 0.00 177.43 176.89 3gg9 h SER 203 N 0.80 0.41 -0.38 5.81 0.02 -1.56 -2.99 113.55 115.66 3gg9 h SER 203 Ca 0.19 -0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 3gg9 h SER 203 Cb 0.13 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 3gg9 h SER 203 CO -0.02 0.59 0.10 0.11 -1.14 0.00 0.00 176.83 176.46 3gg9 h LYS 204 N 0.22 0.69 -0.19 3.45 1.57 -1.21 -1.89 116.57 119.22 3gg9 h LYS 204 Ca 0.07 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3gg9 h LYS 204 Cb 0.36 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3gg9 h LYS 204 CO 0.01 0.64 -0.02 0.93 -0.57 0.00 0.00 179.45 180.44 3gg9 h GLU 205 N 0.67 0.34 -0.39 3.15 5.08 -1.46 -1.63 114.58 120.34 3gg9 h GLU 205 Ca 0.15 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 3gg9 h GLU 205 Cb 0.27 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3gg9 h GLU 205 CO -0.00 0.57 -0.26 0.00 -1.00 0.00 0.00 179.01 178.31 3gg9 h ARG 206 N 0.08 0.82 0.34 2.33 3.08 -1.44 -2.33 114.38 117.26 3gg9 h ARG 206 Ca 0.05 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 3gg9 h ARG 206 Cb 0.43 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 3gg9 h ARG 206 CO 0.01 0.99 -0.45 0.00 -1.07 0.00 0.00 179.97 179.45 3gg9 h ALA 207 N 1.00 -1.06 -0.65 0.04 0.00 -1.32 -2.13 119.26 115.14 3gg9 h ALA 207 Ca 0.09 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 54.99 3gg9 h ALA 207 Cb 0.80 0.73 -0.11 0.00 0.00 0.00 0.00 17.79 19.21 3gg9 h ALA 207 CO 0.07 -1.11 0.05 -0.09 0.00 0.00 0.00 179.25 178.17 3gg9 h ARG 208 N -0.82 0.16 0.00 0.00 9.65 -1.28 -1.42 114.38 120.67 3gg9 h ARG 208 Ca -0.04 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 3gg9 h ARG 208 Cb 0.74 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.28 3gg9 h ARG 208 CO -0.12 0.10 -0.10 0.00 2.80 0.00 0.00 179.97 182.66 3gg9 h ALA 209 N 1.57 1.04 -0.00 2.80 0.00 -1.34 -1.87 119.26 121.46 3gg9 h ALA 209 Ca 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3gg9 h ALA 209 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3gg9 h ALA 209 CO -0.52 0.12 -0.28 -0.25 0.00 0.00 0.00 179.25 178.33 3gg9 n ASP 210 N -3.27 0.29 0.00 0.00 8.00 -0.61 -4.92 116.55 116.03 3gg9 n ASP 210 Ca -0.00 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.56 3gg9 n ASP 210 Cb 0.33 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 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 1.49 1.11 3.81 0.44 0.00 -0.70 -5.10 105.19 106.25 3gg9 n GLY 211 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 3.38 0.48 1.61 0.40 -0.74 -5.01 117.98 116.09 3gg9 s PHE 212 Ca 0.00 0.29 -0.22 0.00 -0.60 0.00 0.00 56.93 56.40 3gg9 s PHE 212 Cb 0.00 -1.80 -0.07 0.00 0.51 0.00 0.00 43.02 41.66 3gg9 s PHE 212 CO 0.00 0.59 1.16 0.00 0.70 0.00 0.00 175.22 177.68 3gg9 s ALA 213 N -1.14 2.92 0.04 5.36 0.00 -1.23 -3.63 121.76 124.08 3gg9 s ALA 213 Ca 0.21 0.93 0.08 0.00 0.00 0.00 0.00 51.96 53.18 3gg9 s ALA 213 Cb -0.12 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 3gg9 s ALA 213 CO 0.11 -0.69 -0.24 0.14 0.00 0.00 0.00 175.76 175.08 3gg9 s VAL 214 N -1.58 2.35 0.65 0.00 -7.23 -1.26 -1.67 120.40 111.66 3gg9 s VAL 214 Ca 0.65 -1.31 -0.15 0.00 -1.81 0.00 0.00 61.98 59.37 3gg9 s VAL 214 Cb -0.28 -1.93 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 3gg9 s VAL 214 CO 0.34 0.37 1.09 0.00 -0.31 0.00 0.00 175.10 176.59 3gg9 s ALA 215 N -0.83 2.54 -0.34 1.32 0.00 -0.51 -4.84 121.76 119.10 3gg9 s ALA 215 Ca 0.12 0.45 0.24 0.00 0.00 0.00 0.00 51.96 52.78 3gg9 s ALA 215 Cb -0.10 -3.28 0.50 0.00 0.00 0.00 0.00 23.12 20.24 3gg9 s ALA 215 CO 0.03 -1.18 1.67 1.05 0.00 0.00 0.00 175.76 177.32 3gg9 h GLU 216 N 0.00 0.00 -2.86 0.00 4.11 -1.93 -3.47 114.58 110.42 3gg9 h GLU 216 Ca -0.46 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.04 3gg9 h GLU 216 Cb 1.24 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 3gg9 h GLU 216 CO 0.55 0.02 0.31 -1.54 0.07 0.00 0.00 179.01 178.41 3gg9 s SER 217 N -6.14 -0.16 0.12 3.06 1.04 -1.26 -4.99 113.70 105.37 3gg9 s SER 217 Ca 0.06 -0.72 -0.20 0.00 0.48 0.00 0.00 55.95 55.57 3gg9 s SER 217 Cb 0.06 0.71 -0.06 0.00 0.10 0.00 0.00 66.02 66.83 3gg9 s SER 217 CO 0.65 -1.34 1.72 0.50 0.98 0.00 0.00 173.24 175.76 3gg9 h LYS 218 N 2.00 0.05 -0.79 4.02 3.64 -1.97 -2.37 116.57 121.15 3gg9 h LYS 218 Ca -0.24 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 3gg9 h LYS 218 Cb 1.24 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.02 3gg9 h LYS 218 CO 0.29 0.03 0.51 -0.44 -2.27 0.00 0.00 179.45 177.56 3gg9 h ASP 219 N 0.05 0.91 -0.96 4.20 3.32 -1.97 -2.04 116.42 119.93 3gg9 h ASP 219 Ca 0.07 -0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.19 3gg9 h ASP 219 Cb 0.09 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 39.34 3gg9 h ASP 219 CO -0.13 0.68 0.62 0.00 -1.72 0.00 0.00 179.24 178.69 3gg9 h ALA 220 N 1.28 1.55 -0.29 3.45 0.00 -1.91 -1.50 119.26 121.84 3gg9 h ALA 220 Ca 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 3gg9 h ALA 220 Cb -0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3gg9 h ALA 220 CO -0.06 0.24 -0.15 1.25 0.00 0.00 0.00 179.25 180.53 3gg9 h LEU 221 N 0.98 0.64 -0.77 0.00 5.85 -0.85 -2.35 115.31 118.82 3gg9 h LEU 221 Ca 0.46 -0.41 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 3gg9 h LEU 221 Cb 0.41 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3gg9 h LEU 221 CO -0.21 0.91 0.08 -0.26 -0.34 0.00 0.00 178.44 178.62 3gg9 h PHE 222 N 0.37 1.08 -0.22 1.25 -1.00 -1.17 -2.63 116.94 114.61 3gg9 h PHE 222 Ca 0.06 -0.15 -0.11 0.00 2.81 0.00 0.00 57.97 60.59 3gg9 h PHE 222 Cb 0.68 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 39.93 3gg9 h PHE 222 CO 0.06 0.92 -0.32 0.93 -1.61 0.00 0.00 178.31 178.29 3gg9 h GLU 223 N 0.95 0.45 -0.01 1.51 5.08 -1.24 -3.33 114.58 117.99 3gg9 h GLU 223 Ca 0.19 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gg9 h GLU 223 Cb 0.44 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3gg9 h GLU 223 CO 0.01 0.72 -0.66 1.04 -1.00 0.00 0.00 179.01 179.12 3gg9 n GLN 224 N -4.08 1.08 -2.62 2.33 6.02 -0.89 -4.53 117.38 114.69 3gg9 n GLN 224 Ca -0.01 -0.46 -0.42 0.00 -0.01 0.00 0.00 57.00 56.11 3gg9 n GLN 224 Cb 0.44 -1.39 -0.03 0.00 1.02 0.00 0.00 30.24 30.27 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 -2.52 7.32 -0.06 1.08 0.01 -1.00 -4.70 113.70 113.83 3gg9 s SER 225 Ca 0.12 1.84 -0.08 0.00 1.31 0.00 0.00 55.95 59.14 3gg9 s SER 225 Cb 0.15 -2.58 -0.29 0.00 0.21 0.00 0.00 66.02 63.51 3gg9 s SER 225 CO 0.64 -0.25 0.59 0.44 0.41 0.00 0.00 173.24 175.07 3gg9 h ASP 226 N 6.25 0.50 -3.28 2.44 3.32 -1.40 -3.41 116.42 120.84 3gg9 h ASP 226 Ca -0.42 -0.86 -0.59 0.00 0.02 0.00 0.00 57.03 55.19 3gg9 h ASP 226 Cb 1.22 -0.16 -0.37 0.00 0.22 0.00 0.00 39.33 40.23 3gg9 h ASP 226 CO 0.75 1.74 -0.81 -0.69 -1.72 0.00 0.00 179.24 178.51 3gg9 s VAL 227 N -2.58 1.43 -0.21 -1.35 1.01 -0.93 -0.87 120.40 116.90 3gg9 s VAL 227 Ca -0.17 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 3gg9 s VAL 227 Cb 0.06 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 3gg9 s VAL 227 CO 0.83 0.27 -0.00 -0.22 0.00 0.00 0.00 175.10 175.97 3gg9 s LEU 228 N 1.51 3.19 -0.12 3.92 0.20 0.13 -0.18 118.68 127.34 3gg9 s LEU 228 Ca 0.02 -0.24 0.03 0.00 0.69 0.00 0.00 54.13 54.62 3gg9 s LEU 228 Cb -0.15 -1.81 0.01 0.00 -0.43 0.00 0.00 46.19 43.81 3gg9 s LEU 228 CO -0.09 0.04 -0.22 -0.55 -0.29 0.00 0.00 176.35 175.23 3gg9 s SER 229 N 1.16 3.07 -0.18 3.68 0.15 -0.63 -0.29 113.70 120.66 3gg9 s SER 229 Ca 0.03 -0.58 -0.14 0.00 0.70 0.00 0.00 55.95 55.96 3gg9 s SER 229 Cb -0.14 -1.41 -0.04 0.00 -1.71 0.00 0.00 66.02 62.71 3gg9 s SER 229 CO 0.01 0.11 0.30 0.54 1.20 0.00 0.00 173.24 175.40 3gg9 s VAL 230 N 0.63 5.29 -0.45 4.45 0.11 -0.95 -1.49 120.40 127.98 3gg9 s VAL 230 Ca -0.12 0.55 0.09 0.00 -2.93 0.00 0.00 61.98 59.57 3gg9 s VAL 230 Cb -0.16 -3.64 0.33 0.00 -1.53 0.00 0.00 36.38 31.37 3gg9 s VAL 230 CO 0.02 0.35 0.76 1.41 -3.33 0.00 0.00 175.10 174.32 3gg9 n HIS 231 N 3.85 1.46 -4.29 1.54 8.25 0.27 -4.25 115.22 122.04 3gg9 n HIS 231 Ca -0.11 -3.86 -0.30 0.00 -0.26 0.00 0.00 57.72 53.19 3gg9 n HIS 231 Cb 0.52 -0.44 -0.11 0.00 1.12 0.00 0.00 29.99 31.08 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 -2.56 2.91 0.21 2.41 1.43 -1.25 -4.42 118.68 117.42 3gg9 s LEU 232 Ca 0.42 -0.43 -0.26 0.00 -1.03 0.00 0.00 54.13 52.82 3gg9 s LEU 232 Cb 0.29 -1.72 -0.08 0.00 0.03 0.00 0.00 46.19 44.70 3gg9 s LEU 232 CO -0.10 0.19 0.84 -0.13 0.23 0.00 0.00 176.35 177.38 3gg9 s ARG 233 N -2.10 4.64 -0.17 1.70 1.81 -1.26 -4.65 118.95 118.92 3gg9 s ARG 233 Ca 0.20 1.26 -0.27 0.00 -1.72 0.00 0.00 55.73 55.19 3gg9 s ARG 233 Cb -0.11 -3.20 -0.01 0.00 -0.45 0.00 0.00 34.95 31.19 3gg9 s ARG 233 CO 0.12 0.52 0.93 -1.17 -0.68 0.00 0.00 175.30 175.02 3gg9 s LEU 234 N -1.30 4.17 0.00 2.53 2.96 -1.26 -4.76 118.68 121.02 3gg9 s LEU 234 Ca 0.39 1.32 0.00 0.00 -0.22 0.00 0.00 54.13 55.62 3gg9 s LEU 234 Cb -0.23 -3.40 0.00 0.00 0.50 0.00 0.00 46.19 43.06 3gg9 s LEU 234 CO 0.27 -0.48 0.00 -0.46 -1.32 0.00 0.00 176.35 174.36 3gg9 n ASN 235 N 5.45 0.00 0.05 3.68 0.23 -1.26 -5.00 115.26 118.41 3gg9 n ASN 235 Ca 0.08 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 54.05 3gg9 n ASN 235 Cb 0.48 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.06 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 0.00 0.00 0.28 0.53 5.19 -1.95 -2.58 116.42 117.88 3gg9 h ASP 236 Ca 0.00 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.21 3gg9 h ASP 236 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 3gg9 h ASP 236 CO 0.00 0.99 -0.79 -0.33 -3.12 0.00 0.00 179.24 175.99 3gg9 h GLU 237 N 0.00 0.41 -0.01 3.56 4.39 -1.96 -3.33 114.58 117.63 3gg9 h GLU 237 Ca -0.05 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.29 3gg9 h GLU 237 Cb 1.80 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.53 3gg9 h GLU 237 CO 0.12 1.01 -0.70 0.25 -1.16 0.00 0.00 179.01 178.53 3gg9 n THR 238 N -3.81 0.00 -1.71 1.13 -2.24 -1.24 -4.72 114.28 101.69 3gg9 n THR 238 Ca -0.05 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 3gg9 n THR 238 Cb 0.74 1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 70.08 3gg9 n THR 238 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3gg9 s ARG 239 N -2.66 4.14 -1.51 -0.78 3.52 -0.97 -1.87 118.95 118.82 3gg9 s ARG 239 Ca 0.13 2.58 -0.03 0.00 -0.13 0.00 0.00 55.73 58.29 3gg9 s ARG 239 Cb 0.17 -3.93 0.01 0.00 -1.56 0.00 0.00 34.95 29.64 3gg9 s ARG 239 CO 0.69 -0.90 0.29 0.43 -0.81 0.00 0.00 175.30 175.00 3gg9 n SER 240 N 6.78 -5.35 0.18 -2.12 7.64 -0.56 -4.89 113.62 115.30 3gg9 n SER 240 Ca 0.19 -0.13 0.14 0.00 1.01 0.00 0.00 58.87 60.08 3gg9 n SER 240 Cb 0.40 -4.41 0.53 0.00 -1.01 0.00 0.00 64.21 59.72 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 -0.65 0.00 -3.63 0.44 2.10 -0.46 -3.40 117.51 111.91 3gg9 h ILE 241 Ca -0.47 -0.39 -0.66 0.00 1.08 0.00 0.00 64.86 64.42 3gg9 h ILE 241 Cb 1.33 1.26 -0.23 0.00 -1.09 0.00 0.00 36.82 38.09 3gg9 h ILE 241 CO 0.53 0.00 -0.62 -0.63 -1.08 0.00 0.00 178.15 176.36 3gg9 s ILE 242 N -3.40 4.27 0.50 2.19 1.01 -0.58 -5.04 121.20 120.15 3gg9 s ILE 242 Ca 0.04 -0.32 0.08 0.00 0.00 0.00 0.00 60.65 60.46 3gg9 s ILE 242 Cb 0.09 -3.06 0.05 0.00 0.01 0.00 0.00 42.46 39.55 3gg9 s ILE 242 CO 0.48 0.25 0.69 0.42 0.00 0.00 0.00 174.94 176.78 3gg9 s THR 243 N 1.59 2.57 0.16 2.92 -4.23 -1.26 -1.61 115.64 115.78 3gg9 s THR 243 Ca 0.05 -0.98 -0.15 0.00 -1.18 0.00 0.00 61.69 59.43 3gg9 s THR 243 Cb -0.16 -2.59 0.04 0.00 1.34 0.00 0.00 72.50 71.14 3gg9 s THR 243 CO 0.04 0.00 1.77 0.58 -0.54 0.00 0.00 174.62 176.47 3gg9 h VAL 244 N 0.38 0.95 -0.40 2.29 2.07 -1.94 -2.55 116.25 117.05 3gg9 h VAL 244 Ca -0.35 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.09 3gg9 h VAL 244 Cb 1.28 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 3gg9 h VAL 244 CO 0.43 0.07 0.27 0.00 0.02 0.00 0.00 177.57 178.36 3gg9 h ALA 245 N 1.23 2.00 -0.16 1.67 0.00 -1.95 0.27 119.26 122.32 3gg9 h ALA 245 Ca 0.18 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3gg9 h ALA 245 Cb 0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3gg9 h ALA 245 CO -0.14 -0.07 -0.05 -0.44 0.00 0.00 0.00 179.25 178.54 3gg9 h ASP 246 N 0.29 0.32 -0.21 0.00 5.19 -1.88 -3.18 116.42 116.95 3gg9 h ASP 246 Ca 0.17 -0.38 -0.11 0.00 -0.62 0.00 0.00 57.03 56.10 3gg9 h ASP 246 Cb 0.32 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 3gg9 h ASP 246 CO -0.04 0.63 -0.23 -0.07 -3.12 0.00 0.00 179.24 176.41 3gg9 h LEU 247 N 0.01 0.69 0.00 1.55 3.38 -0.91 -2.96 115.31 117.06 3gg9 h LEU 247 Ca 0.04 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3gg9 h LEU 247 Cb 0.49 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3gg9 h LEU 247 CO 0.02 0.90 0.00 0.35 0.09 0.00 0.00 178.44 179.80 3gg9 n THR 248 N -4.11 0.14 0.72 0.22 -2.24 0.86 -1.97 114.28 107.90 3gg9 n THR 248 Ca -0.00 0.04 0.12 0.00 -2.27 0.00 0.00 64.05 61.94 3gg9 n THR 248 Cb 0.42 -0.63 0.25 0.00 -2.10 0.00 0.00 70.33 68.28 3gg9 n THR 248 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3gg9 n ARG 249 N -1.19 0.19 -2.21 -0.78 1.74 -1.12 -4.90 116.66 108.39 3gg9 n ARG 249 Ca 0.14 0.07 -0.34 0.00 -0.77 0.00 0.00 57.85 56.95 3gg9 n ARG 249 Cb 0.16 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 3gg9 n ARG 249 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3gg9 s MET 250 N -3.10 3.33 0.45 5.56 -1.94 -0.83 -4.10 119.30 118.66 3gg9 s MET 250 Ca 0.08 1.53 -0.25 0.00 -1.71 0.00 0.00 55.69 55.34 3gg9 s MET 250 Cb 0.15 -2.01 -0.09 0.00 2.01 0.00 0.00 34.83 34.89 3gg9 s MET 250 CO 0.69 -0.85 1.38 1.63 -0.01 0.00 0.00 175.02 177.85 3gg9 n LYS 251 N -1.46 2.11 0.06 2.03 5.02 -1.26 -4.57 118.16 120.08 3gg9 n LYS 251 Ca 0.11 0.75 0.05 0.00 -2.02 0.00 0.00 58.31 57.21 3gg9 n LYS 251 Cb 0.51 -2.55 0.27 0.00 -0.02 0.00 0.00 35.03 33.24 3gg9 n LYS 251 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3gg9 n PRO 252 N -0.18 0.06 0.00 1.97 -0.04 -1.26 -0.84 135.00 134.71 3gg9 n PRO 252 Ca 0.06 0.48 0.11 0.00 -0.04 0.00 0.00 63.50 64.11 3gg9 n PRO 252 Cb 0.41 -1.66 -0.00 0.00 -0.04 0.00 0.00 33.50 32.21 3gg9 n PRO 252 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3gg9 n THR 253 N -1.78 0.00 -2.48 0.52 -2.24 -1.26 -3.18 114.28 103.86 3gg9 n THR 253 Ca 0.00 -0.12 -0.33 0.00 -2.27 0.00 0.00 64.05 61.33 3gg9 n THR 253 Cb 0.06 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 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 -2.73 2.89 -0.19 6.98 0.00 -0.02 -4.73 121.76 123.96 3gg9 s ALA 254 Ca 0.14 0.50 -0.05 0.00 0.00 0.00 0.00 51.96 52.55 3gg9 s ALA 254 Cb 0.17 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 3gg9 s ALA 254 CO 0.70 -0.34 0.01 -1.17 0.00 0.00 0.00 175.76 174.96 3gg9 s LEU 255 N -3.68 3.37 -0.25 0.00 2.96 -0.04 -1.71 118.68 119.33 3gg9 s LEU 255 Ca 0.65 -0.13 -0.11 0.00 -0.22 0.00 0.00 54.13 54.33 3gg9 s LEU 255 Cb -0.15 -1.84 -0.05 0.00 0.50 0.00 0.00 46.19 44.65 3gg9 s LEU 255 CO 0.23 0.11 0.16 0.12 -1.32 0.00 0.00 176.35 175.65 3gg9 s PHE 256 N 0.74 3.29 -0.10 5.38 5.36 -0.62 -0.70 117.98 131.34 3gg9 s PHE 256 Ca 0.00 0.20 0.02 0.00 -0.96 0.00 0.00 56.93 56.19 3gg9 s PHE 256 Cb -0.14 -2.29 -0.02 0.00 -0.34 0.00 0.00 43.02 40.24 3gg9 s PHE 256 CO 0.02 0.02 -0.16 0.08 -1.46 0.00 0.00 175.22 173.72 3gg9 s VAL 257 N 1.19 2.83 -0.27 3.12 1.01 0.60 -0.96 120.40 127.92 3gg9 s VAL 257 Ca 0.07 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 3gg9 s VAL 257 Cb -0.14 -2.15 0.09 0.00 0.00 0.00 0.00 36.38 34.18 3gg9 s VAL 257 CO 0.06 0.55 0.10 0.21 0.00 0.00 0.00 175.10 176.02 3gg9 s ASN 258 N 0.05 3.46 0.00 3.32 2.47 -0.56 -2.24 114.94 121.44 3gg9 s ASN 258 Ca -0.06 -1.25 0.17 0.00 0.42 0.00 0.00 52.86 52.14 3gg9 s ASN 258 Cb -0.15 -0.53 0.26 0.00 -1.45 0.00 0.00 41.25 39.38 3gg9 s ASN 258 CO 0.05 -0.40 1.17 0.35 -3.72 0.00 0.00 177.10 174.55 3gg9 n THR 259 N 5.10 0.36 0.00 -5.21 -2.24 -1.26 -1.78 114.28 109.26 3gg9 n THR 259 Ca -0.05 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 3gg9 n THR 259 Cb 0.44 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 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 1.01 0.00 -3.86 3.42 7.64 -1.26 -4.81 113.62 115.76 3gg9 n SER 260 Ca 0.13 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.89 3gg9 n SER 260 Cb 0.47 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.54 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 0.00 0.19 0.35 1.43 1.81 -1.26 -4.91 118.95 116.56 3gg9 s ARG 261 Ca 0.00 -0.05 0.12 0.00 -1.72 0.00 0.00 55.73 54.08 3gg9 s ARG 261 Cb 0.00 0.08 0.64 0.00 -0.45 0.00 0.00 34.95 35.22 3gg9 s ARG 261 CO 0.00 -0.03 1.78 0.00 -0.68 0.00 0.00 175.30 176.37 3gg9 h ALA 262 N 5.56 1.30 0.00 2.13 0.00 -1.81 -3.16 119.26 123.27 3gg9 h ALA 262 Ca -0.27 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3gg9 h ALA 262 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3gg9 h ALA 262 CO 0.44 0.53 0.00 0.39 0.00 0.00 0.00 179.25 180.61 3gg9 n GLU 263 N -4.04 0.26 0.25 0.00 4.71 -1.26 -2.04 120.64 118.52 3gg9 n GLU 263 Ca -0.02 0.08 0.09 0.00 -0.01 0.00 0.00 57.16 57.31 3gg9 n GLU 263 Cb 0.45 -1.50 0.65 0.00 -1.01 0.00 0.00 31.44 30.03 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 -9.49 -4.62 3.38 -1.77 -1.48 115.31 101.33 3gg9 h LEU 264 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 3gg9 h LEU 264 Cb 0.25 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.90 3gg9 h LEU 264 CO 0.00 0.12 -0.54 -0.69 0.09 0.00 0.00 178.44 177.42 3gg9 s VAL 265 N -4.53 5.04 0.70 1.22 1.01 -0.86 -1.32 120.40 121.65 3gg9 s VAL 265 Ca -0.04 0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.81 3gg9 s VAL 265 Cb 0.15 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 33.38 3gg9 s VAL 265 CO 0.64 0.61 1.22 -1.84 0.00 0.00 0.00 175.10 175.73 3gg9 n GLU 266 N 2.07 0.75 -1.73 2.72 0.28 -0.63 -4.64 120.64 119.46 3gg9 n GLU 266 Ca -0.19 0.32 -0.42 0.00 -0.16 0.00 0.00 57.16 56.71 3gg9 n GLU 266 Cb 0.54 -2.46 -0.02 0.00 1.43 0.00 0.00 31.44 30.94 3gg9 n GLU 266 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3gg9 n GLU 267 N -2.29 2.71 -0.87 3.44 2.13 -1.26 -1.48 120.64 123.03 3gg9 n GLU 267 Ca 0.15 0.97 0.00 0.00 0.66 0.00 0.00 57.16 58.94 3gg9 n GLU 267 Cb 0.49 -2.77 0.00 0.00 0.27 0.00 0.00 31.44 29.42 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 2.79 -4.18 -0.08 4.31 4.13 -1.26 -4.86 115.26 116.11 3gg9 n ASN 268 Ca 0.11 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.29 3gg9 n ASN 268 Cb 0.36 -3.02 0.07 0.00 -1.54 0.00 0.00 39.78 35.66 3gg9 n ASN 268 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 3gg9 h GLY 269 N 0.00 0.84 0.82 7.41 0.00 -1.61 -1.90 103.07 108.64 3gg9 h GLY 269 Ca 0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 47.33 46.55 3gg9 h GLY 269 CO 0.00 0.68 0.02 -0.33 0.00 0.00 0.00 176.54 176.91 3gg9 h MET 270 N 0.66 0.33 -0.47 4.80 2.07 -1.89 -2.13 114.93 118.30 3gg9 h MET 270 Ca 0.08 -0.10 -0.03 0.00 -2.07 0.00 0.00 59.70 57.59 3gg9 h MET 270 Cb 0.79 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.47 3gg9 h MET 270 CO 0.07 0.51 0.18 0.28 1.07 0.00 0.00 176.91 179.01 3gg9 h VAL 271 N 0.10 1.21 0.12 -2.22 2.07 -1.95 -2.24 116.25 113.34 3gg9 h VAL 271 Ca 0.06 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.93 3gg9 h VAL 271 Cb 0.35 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3gg9 h VAL 271 CO 0.01 0.25 -0.20 0.74 0.02 0.00 0.00 177.57 178.38 3gg9 h THR 272 N 0.62 0.55 -0.04 2.57 2.02 -1.35 -2.47 112.91 114.81 3gg9 h THR 272 Ca 0.16 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 3gg9 h THR 272 Cb 0.21 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 3gg9 h THR 272 CO -0.01 0.00 0.02 0.00 0.37 0.00 0.00 175.52 175.90 3gg9 h ALA 273 N 0.42 0.05 -0.93 6.16 0.00 -1.33 -2.43 119.26 121.18 3gg9 h ALA 273 Ca 0.02 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3gg9 h ALA 273 Cb 0.40 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 3gg9 h ALA 273 CO -0.10 -0.43 0.62 -0.07 0.00 0.00 0.00 179.25 179.26 3gg9 h LEU 274 N -0.00 1.03 -1.64 0.00 3.38 -1.45 -1.77 115.31 114.86 3gg9 h LEU 274 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gg9 h LEU 274 Cb 0.05 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3gg9 h LEU 274 CO -0.00 0.72 0.00 0.78 0.09 0.00 0.00 178.44 180.03 3gg9 h ASN 275 N 1.21 0.00 -0.49 -0.43 2.35 -1.19 -1.68 115.58 115.34 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 -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3gg9 h ASN 275 CO -0.10 0.00 0.00 0.54 -1.65 0.00 0.00 177.43 176.22 3gg9 n ARG 276 N -2.94 2.55 -0.96 0.81 1.74 -0.80 -4.99 116.66 112.08 3gg9 n ARG 276 Ca 0.00 -2.32 0.00 0.00 -0.77 0.00 0.00 57.85 54.76 3gg9 n ARG 276 Cb 0.24 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 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 1.31 0.92 2.84 -0.13 0.00 -0.63 -4.99 105.19 104.50 3gg9 n GLY 277 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.04 1.17 1.03 1.61 0.52 -0.96 -3.70 118.95 118.58 3gg9 s ARG 278 Ca 0.00 -0.63 -0.17 0.00 -0.52 0.00 0.00 55.73 54.41 3gg9 s ARG 278 Cb 0.00 -2.22 0.22 0.00 0.52 0.00 0.00 34.95 33.47 3gg9 s ARG 278 CO 0.00 -0.57 1.26 -1.25 0.02 0.00 0.00 175.30 174.77 3gg9 s PRO 279 N 1.65 0.12 0.12 3.54 0.04 -1.18 -3.77 135.00 135.51 3gg9 s PRO 279 Ca -0.02 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 60.71 3gg9 s PRO 279 Cb -0.17 -1.78 -0.17 0.00 0.04 0.00 0.00 34.50 32.42 3gg9 s PRO 279 CO -0.07 -2.77 1.26 0.78 0.04 0.00 0.00 177.00 176.23 3gg9 h GLY 280 N -1.90 0.23 -4.44 0.56 0.00 -1.29 -3.40 103.07 92.83 3gg9 h GLY 280 Ca -0.44 -0.50 -0.12 0.00 0.00 0.00 0.00 47.33 46.26 3gg9 h GLY 280 CO 0.37 0.44 -0.34 -0.29 0.00 0.00 0.00 176.54 176.72 3gg9 s MET 281 N -2.88 0.64 0.11 4.80 -2.45 -1.13 -4.86 119.30 113.54 3gg9 s MET 281 Ca -0.03 -0.32 0.08 0.00 -1.25 0.00 0.00 55.69 54.17 3gg9 s MET 281 Cb 0.09 0.28 -0.04 0.00 1.25 0.00 0.00 34.83 36.41 3gg9 s MET 281 CO 0.85 -0.18 -0.19 0.00 1.05 0.00 0.00 175.02 176.55 3gg9 s ALA 282 N -1.60 1.76 -0.21 4.11 0.00 -0.28 -1.58 121.76 123.95 3gg9 s ALA 282 Ca -0.12 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 50.57 3gg9 s ALA 282 Cb -0.05 -0.20 0.05 0.00 0.00 0.00 0.00 23.12 22.91 3gg9 s ALA 282 CO 0.02 0.29 -0.10 0.00 0.00 0.00 0.00 175.76 175.97 3gg9 s ALA 283 N -1.45 2.08 -0.10 0.00 0.00 -0.14 -0.42 121.76 121.74 3gg9 s ALA 283 Ca 0.08 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 50.77 3gg9 s ALA 283 Cb -0.09 -1.33 0.01 0.00 0.00 0.00 0.00 23.12 21.71 3gg9 s ALA 283 CO 0.04 -0.89 -0.18 0.42 0.00 0.00 0.00 175.76 175.16 3gg9 s ILE 284 N 1.36 1.65 -0.42 0.00 -1.09 0.60 -1.49 121.20 121.80 3gg9 s ILE 284 Ca -0.02 -0.76 0.14 0.00 -2.23 0.00 0.00 60.65 57.77 3gg9 s ILE 284 Cb -0.17 -1.47 -0.17 0.00 -1.58 0.00 0.00 42.46 39.07 3gg9 s ILE 284 CO -0.08 0.47 0.49 -0.67 -1.23 0.00 0.00 174.94 173.92 3gg9 n ASP 285 N 3.85 1.05 -4.06 3.58 2.03 -0.73 -0.67 116.55 121.60 3gg9 n ASP 285 Ca -0.20 -0.53 -0.18 0.00 0.52 0.00 0.00 54.79 54.40 3gg9 n ASP 285 Cb 0.52 1.23 -0.14 0.00 -0.72 0.00 0.00 41.12 42.01 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 -2.54 0.78 0.12 5.18 -7.23 -1.25 -0.36 120.40 115.11 3gg9 s VAL 286 Ca 0.01 -0.64 0.03 0.00 -1.81 0.00 0.00 61.98 59.57 3gg9 s VAL 286 Cb 0.10 -0.70 -0.04 0.00 0.56 0.00 0.00 36.38 36.30 3gg9 s VAL 286 CO 0.57 0.06 -0.07 -0.36 -0.31 0.00 0.00 175.10 174.99 3gg9 s PHE 287 N -0.54 1.07 0.22 2.82 0.08 -1.26 -4.42 117.98 115.94 3gg9 s PHE 287 Ca 0.01 -0.86 -0.08 0.00 0.12 0.00 0.00 56.93 56.11 3gg9 s PHE 287 Cb -0.05 -0.58 0.18 0.00 -0.57 0.00 0.00 43.02 41.99 3gg9 s PHE 287 CO 0.00 -0.07 1.83 0.93 -0.10 0.00 0.00 175.22 177.82 3gg9 h GLU 288 N 2.87 1.17 -4.50 0.44 3.07 -1.99 -3.41 114.58 112.22 3gg9 h GLU 288 Ca -0.36 -0.14 -0.54 0.00 -0.50 0.00 0.00 59.36 57.82 3gg9 h GLU 288 Cb 1.18 -0.22 -0.35 0.00 -0.84 0.00 0.00 28.75 28.51 3gg9 h GLU 288 CO 0.64 0.87 -0.82 0.99 -1.40 0.00 0.00 179.01 179.29 3gg9 s THR 289 N -5.81 1.22 -0.00 1.13 2.01 -1.26 -5.05 115.64 107.87 3gg9 s THR 289 Ca -0.13 -0.47 0.05 0.00 0.31 0.00 0.00 61.69 61.45 3gg9 s THR 289 Cb 0.16 -1.15 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 3gg9 s THR 289 CO 0.82 0.39 -0.15 -1.61 -0.69 0.00 0.00 174.62 173.38 3gg9 s GLU 290 N 1.13 1.16 0.71 4.92 2.02 -1.26 -3.80 118.70 123.57 3gg9 s GLU 290 Ca -0.05 -0.56 -0.16 0.00 0.02 0.00 0.00 54.97 54.22 3gg9 s GLU 290 Cb -0.14 -1.13 0.01 0.00 0.10 0.00 0.00 34.13 32.97 3gg9 s GLU 290 CO -0.02 0.31 1.08 -2.30 0.02 0.00 0.00 175.26 174.35 3gg9 n PRO 291 N 2.60 0.64 -2.61 0.39 -0.02 -1.26 -5.08 135.00 129.66 3gg9 n PRO 291 Ca -0.15 0.28 -0.22 0.00 -2.02 0.00 0.00 63.50 61.39 3gg9 n PRO 291 Cb 0.55 -2.33 0.05 0.00 -0.02 0.00 0.00 33.50 31.75 3gg9 n PRO 291 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3gg9 s ILE 292 N -1.73 2.55 0.35 4.25 -4.36 -1.25 -5.13 121.20 115.87 3gg9 s ILE 292 Ca 0.76 -0.64 0.08 0.00 -0.26 0.00 0.00 60.65 60.60 3gg9 s ILE 292 Cb -0.35 -2.91 -0.04 0.00 1.25 0.00 0.00 42.46 40.41 3gg9 s ILE 292 CO 0.47 0.00 0.13 -0.76 0.24 0.00 0.00 174.94 175.02 3gg9 s LEU 293 N -4.85 3.21 0.31 0.37 1.43 -1.26 -5.05 118.68 112.85 3gg9 s LEU 293 Ca 0.59 -0.83 0.09 0.00 -1.03 0.00 0.00 54.13 52.95 3gg9 s LEU 293 Cb -0.09 -1.66 0.88 0.00 0.03 0.00 0.00 46.19 45.35 3gg9 s LEU 293 CO 0.40 -0.31 1.69 1.56 0.23 0.00 0.00 176.35 179.92 3gg9 h GLN 294 N 1.57 0.41 -0.46 1.70 4.20 -2.02 -2.07 115.11 118.43 3gg9 h GLN 294 Ca -0.43 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.25 3gg9 h GLN 294 Cb 1.25 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.94 3gg9 h GLN 294 CO 0.64 0.27 0.00 0.41 -0.67 0.00 0.00 178.83 179.48 3gg9 n GLY 295 N -1.32 0.75 3.72 3.46 0.00 -1.26 -4.66 105.19 105.89 3gg9 n GLY 295 Ca 0.26 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.19 2.65 -0.07 1.61 -0.00 -0.78 -4.87 115.22 113.94 3gg9 n HIS 296 Ca 0.08 0.28 -0.08 0.00 -0.00 0.00 0.00 57.72 58.00 3gg9 n HIS 296 Cb 0.32 -2.57 -0.01 0.00 -0.00 0.00 0.00 29.99 27.73 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 3.33 0.97 -0.13 3.57 2.02 -1.91 -1.71 112.91 119.05 3gg9 h THR 297 Ca -0.46 -0.09 -0.09 0.00 0.77 0.00 0.00 66.41 66.55 3gg9 h THR 297 Cb 1.24 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 3gg9 h THR 297 CO 0.80 0.05 -0.31 -0.07 0.37 0.00 0.00 175.52 176.36 3gg9 h LEU 298 N 0.25 0.24 -1.18 2.58 3.38 -1.96 -2.84 115.31 115.78 3gg9 h LEU 298 Ca 0.11 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3gg9 h LEU 298 Cb 0.05 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3gg9 h LEU 298 CO -0.09 0.55 0.06 0.25 0.09 0.00 0.00 178.44 179.29 3gg9 h LEU 299 N 0.21 0.58 -1.66 1.67 5.85 -1.71 -2.59 115.31 117.66 3gg9 h LEU 299 Ca 0.03 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 3gg9 h LEU 299 Cb 0.66 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 3gg9 h LEU 299 CO 0.05 0.61 -0.01 0.03 -0.34 0.00 0.00 178.44 178.79 3gg9 h ARG 300 N 0.60 0.00 -6.47 1.25 -0.00 -1.08 -3.45 114.38 105.23 3gg9 h ARG 300 Ca 0.13 0.00 -0.53 0.00 -0.50 0.00 0.00 59.98 59.08 3gg9 h ARG 300 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.26 3gg9 h ARG 300 CO 0.00 0.01 0.44 -1.64 0.00 0.00 0.00 179.97 178.78 3gg9 s MET 301 N -3.74 4.54 0.35 0.04 -1.94 -0.98 -4.95 119.30 112.63 3gg9 s MET 301 Ca 0.00 1.56 0.16 0.00 -1.71 0.00 0.00 55.69 55.70 3gg9 s MET 301 Cb 0.10 -3.40 0.63 0.00 2.01 0.00 0.00 34.83 34.16 3gg9 s MET 301 CO 0.53 -0.08 1.72 1.49 -0.01 0.00 0.00 175.02 178.67 3gg9 h GLU 302 N 6.55 0.00 -0.75 2.03 4.81 -1.87 -2.93 114.58 122.41 3gg9 h GLU 302 Ca -0.42 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.66 3gg9 h GLU 302 Cb 1.22 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.51 3gg9 h GLU 302 CO 0.76 0.43 0.19 0.27 -0.73 0.00 0.00 179.01 179.94 3gg9 n ASN 303 N -3.68 4.70 -3.92 1.04 6.94 -1.26 -4.74 115.26 114.33 3gg9 n ASN 303 Ca -0.01 -3.02 -0.29 0.00 -0.02 0.00 0.00 54.58 51.25 3gg9 n ASN 303 Cb 0.51 -0.71 -0.16 0.00 -2.36 0.00 0.00 39.78 37.06 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 1.59 4.91 -0.17 0.00 1.01 0.44 -4.81 121.20 124.17 3gg9 s ILE 305 Ca 0.01 0.89 -0.02 0.00 0.00 0.00 0.00 60.65 61.54 3gg9 s ILE 305 Cb -0.15 -4.03 -0.01 0.00 0.01 0.00 0.00 42.46 38.28 3gg9 s ILE 305 CO -0.08 -0.17 -0.10 0.00 0.00 0.00 0.00 174.94 174.59 3gg9 s THR 307 N 0.93 3.09 -1.55 0.00 -4.23 0.16 -4.99 115.64 109.05 3gg9 s THR 307 Ca -0.02 -1.11 -0.12 0.00 -1.18 0.00 0.00 61.69 59.26 3gg9 s THR 307 Cb -0.15 -2.34 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 3gg9 s THR 307 CO -0.00 0.30 2.62 -0.81 -0.54 0.00 0.00 174.62 176.19 3gg9 n PRO 308 N 1.38 3.34 -3.97 3.99 -0.04 -1.26 -4.24 135.00 134.20 3gg9 n PRO 308 Ca -0.15 -2.41 -0.33 0.00 -0.04 0.00 0.00 63.50 60.56 3gg9 n PRO 308 Cb 0.52 -3.01 -0.01 0.00 -0.04 0.00 0.00 33.50 30.96 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 4.66 -1.60 0.28 0.54 -0.00 0.51 -4.89 115.22 114.73 3gg9 n HIS 309 Ca 0.66 0.49 0.11 0.00 0.46 0.00 0.00 57.72 59.45 3gg9 n HIS 309 Cb 0.30 -3.30 0.26 0.00 -0.12 0.00 0.00 29.99 27.13 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 -4.52 0.59 -0.28 3.57 -5.35 -1.26 -4.63 119.36 107.47 3gg9 n ILE 310 Ca -0.21 -0.75 0.10 0.00 -0.27 0.00 0.00 62.75 61.62 3gg9 n ILE 310 Cb 0.64 0.77 0.26 0.00 -1.74 0.00 0.00 39.64 39.56 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 4.59 1.29 -1.51 3.28 0.00 -1.91 -1.27 103.07 107.55 3gg9 h GLY 311 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3gg9 h GLY 311 CO 0.00 -0.28 -0.12 -1.72 0.00 0.00 0.00 176.54 174.42 3gg9 n TYR 312 N -5.15 0.00 -2.80 5.60 4.01 -1.26 -1.97 117.16 115.59 3gg9 n TYR 312 Ca 0.19 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.50 3gg9 n TYR 312 Cb 0.60 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.60 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 -1.95 4.44 -0.10 -0.72 1.01 -0.48 -4.38 120.40 118.22 3gg9 s VAL 313 Ca 0.23 -1.26 -0.22 0.00 0.00 0.00 0.00 61.98 60.73 3gg9 s VAL 313 Cb 0.18 -4.87 0.05 0.00 0.00 0.00 0.00 36.38 31.74 3gg9 s VAL 313 CO 0.34 -1.65 0.52 -0.70 0.00 0.00 0.00 175.10 173.61 3gg9 s GLU 314 N 3.50 0.78 0.15 2.72 -6.30 -1.26 -4.98 118.70 113.31 3gg9 s GLU 314 Ca 0.37 0.33 -0.26 0.00 -2.50 0.00 0.00 54.97 52.90 3gg9 s GLU 314 Cb -0.04 0.37 0.01 0.00 0.00 0.00 0.00 34.13 34.47 3gg9 s GLU 314 CO -0.09 -0.19 1.58 -0.09 0.02 0.00 0.00 175.26 176.49 3gg9 h ARG 315 N 4.15 -0.32 -0.12 4.30 2.43 -2.00 0.81 114.38 123.63 3gg9 h ARG 315 Ca -0.28 0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 58.73 3gg9 h ARG 315 Cb 1.16 0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.79 3gg9 h ARG 315 CO 0.30 -0.21 -0.62 1.49 -1.51 0.00 0.00 179.97 179.41 3gg9 h GLU 316 N -0.33 0.64 -0.40 0.20 4.57 -1.98 -1.37 114.58 115.91 3gg9 h GLU 316 Ca 0.14 -0.52 0.08 0.00 -1.18 0.00 0.00 59.36 57.88 3gg9 h GLU 316 Cb 0.58 0.11 -0.09 0.00 -0.16 0.00 0.00 28.75 29.19 3gg9 h GLU 316 CO -0.54 1.14 -0.24 1.03 -1.18 0.00 0.00 179.01 179.23 3gg9 h SER 317 N 0.30 -0.80 -0.65 1.04 0.87 -1.84 -1.37 113.55 111.09 3gg9 h SER 317 Ca -0.04 0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.74 3gg9 h SER 317 Cb 1.26 0.41 -0.05 0.00 -0.44 0.00 0.00 62.40 63.58 3gg9 h SER 317 CO 0.13 -0.26 0.36 1.88 -0.53 0.00 0.00 176.83 178.41 3gg9 h TYR 318 N -0.17 0.67 -0.53 2.24 -1.99 -0.65 0.20 116.97 116.73 3gg9 h TYR 318 Ca 0.19 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.96 3gg9 h TYR 318 Cb 0.47 -0.21 -0.03 0.00 2.00 0.00 0.00 36.73 38.96 3gg9 h TYR 318 CO -0.47 0.33 0.33 0.93 -0.00 0.00 0.00 178.16 179.28 3gg9 h GLU 319 N 0.68 0.64 0.20 4.88 4.39 -0.68 -0.50 114.58 124.19 3gg9 h GLU 319 Ca 0.29 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 3gg9 h GLU 319 Cb 0.16 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3gg9 h GLU 319 CO -0.17 0.42 -0.10 1.98 -1.16 0.00 0.00 179.01 179.99 3gg9 h MET 320 N 0.66 -0.26 -0.30 2.33 4.05 -0.98 -0.98 114.93 119.45 3gg9 h MET 320 Ca 0.21 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.62 3gg9 h MET 320 Cb -0.02 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 3gg9 h MET 320 CO -0.08 0.02 0.09 1.88 0.23 0.00 0.00 176.91 179.05 3gg9 h TYR 321 N -0.53 0.48 0.01 1.39 0.99 -0.40 -2.39 116.97 116.52 3gg9 h TYR 321 Ca -0.03 -0.05 -0.19 0.00 2.00 0.00 0.00 58.73 60.46 3gg9 h TYR 321 Cb 0.40 -0.14 -0.02 0.00 1.00 0.00 0.00 36.73 37.96 3gg9 h TYR 321 CO 0.01 0.50 -0.90 0.74 -0.00 0.00 0.00 178.16 178.51 3gg9 h PHE 322 N 0.33 0.05 -0.29 4.88 0.04 -1.20 -2.21 116.94 118.53 3gg9 h PHE 322 Ca 0.10 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 3gg9 h PHE 322 Cb 0.24 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 3gg9 h PHE 322 CO 0.01 0.92 0.14 0.78 -0.60 0.00 0.00 178.31 179.55 3gg9 h GLY 323 N 2.52 0.45 0.94 -1.45 0.00 -1.04 0.24 103.07 104.74 3gg9 h GLY 323 Ca -0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 3gg9 h GLY 323 CO 0.12 0.21 0.11 -2.22 0.00 0.00 0.00 176.54 174.76 3gg9 h ILE 324 N 0.34 1.23 -0.70 2.60 2.04 -1.47 -0.63 117.51 120.92 3gg9 h ILE 324 Ca 0.10 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 3gg9 h ILE 324 Cb 0.11 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 3gg9 h ILE 324 CO -0.01 0.27 0.27 0.00 0.00 0.00 0.00 178.15 178.68 3gg9 h ALA 325 N 0.97 1.16 -0.11 1.87 0.00 -1.04 0.13 119.26 122.23 3gg9 h ALA 325 Ca 0.13 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3gg9 h ALA 325 Cb 0.29 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3gg9 h ALA 325 CO -0.00 0.60 -0.29 0.74 0.00 0.00 0.00 179.25 180.30 3gg9 h PHE 326 N 1.01 0.51 -0.59 0.00 0.04 -0.51 -3.14 116.94 114.26 3gg9 h PHE 326 Ca 0.23 -0.20 0.03 0.00 2.80 0.00 0.00 57.97 60.84 3gg9 h PHE 326 Cb 0.20 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.22 3gg9 h PHE 326 CO 0.02 0.91 0.34 0.37 -0.60 0.00 0.00 178.31 179.35 3gg9 h GLN 327 N -0.03 0.65 -0.90 1.51 5.75 -0.75 -1.88 115.11 119.45 3gg9 h GLN 327 Ca -0.00 -0.04 0.20 0.00 -0.15 0.00 0.00 58.65 58.66 3gg9 h GLN 327 Cb 0.90 -0.15 -0.12 0.00 1.07 0.00 0.00 27.48 29.19 3gg9 h GLN 327 CO 0.06 0.43 0.43 -0.91 -2.65 0.00 0.00 178.83 176.20 3gg9 h ASN 328 N 0.67 0.43 0.04 -0.69 2.35 -1.04 0.19 115.58 117.53 3gg9 h ASN 328 Ca 0.24 0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 56.13 3gg9 h ASN 328 Cb 0.06 0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3gg9 h ASN 328 CO -0.12 0.07 -0.02 0.40 -1.65 0.00 0.00 177.43 176.11 3gg9 h ILE 329 N 0.49 1.00 -0.83 2.81 2.04 -1.29 -1.46 117.51 120.26 3gg9 h ILE 329 Ca 0.55 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 66.32 3gg9 h ILE 329 Cb 0.98 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 38.10 3gg9 h ILE 329 CO -0.48 0.04 0.51 -0.07 0.00 0.00 0.00 178.15 178.15 3gg9 h LEU 330 N -0.12 0.80 0.12 1.44 3.38 -1.11 -1.69 115.31 118.13 3gg9 h LEU 330 Ca -0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3gg9 h LEU 330 Cb 0.10 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3gg9 h LEU 330 CO 0.01 0.52 -0.06 0.44 0.09 0.00 0.00 178.44 179.44 3gg9 h ASP 331 N 0.94 -0.13 0.03 -0.43 3.32 -0.52 -2.53 116.42 117.09 3gg9 h ASP 331 Ca 0.36 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 3gg9 h ASP 331 Cb 0.16 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3gg9 h ASP 331 CO -0.17 0.03 -0.12 0.16 -1.72 0.00 0.00 179.24 177.42 3gg9 h ILE 332 N -0.29 1.16 0.00 0.35 -0.00 -1.00 -0.68 117.51 117.05 3gg9 h ILE 332 Ca -0.02 -0.71 -0.03 0.00 -0.00 0.00 0.00 64.86 64.11 3gg9 h ILE 332 Cb 0.24 1.20 -0.00 0.00 -0.00 0.00 0.00 36.82 38.25 3gg9 h ILE 332 CO 0.03 0.22 -0.12 -0.07 -0.00 0.00 0.00 178.15 178.20 3gg9 h LEU 333 N 0.19 0.00 -1.13 0.16 3.38 -1.14 -1.99 115.31 114.78 3gg9 h LEU 333 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3gg9 h LEU 333 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3gg9 h LEU 333 CO 0.02 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.67 3gg9 n GLN 334 N -4.21 1.74 -0.04 1.13 1.13 -0.50 -4.92 117.38 111.71 3gg9 n GLN 334 Ca -0.03 -1.12 0.00 0.00 -1.94 0.00 0.00 57.00 53.92 3gg9 n GLN 334 Cb 0.20 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.15 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 1.14 0.44 3.58 1.08 0.00 -0.75 -5.04 105.19 105.64 3gg9 n GLY 335 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.51 6.51 -0.22 1.61 2.47 -0.38 -4.90 114.94 117.52 3gg9 s ASN 336 Ca 0.00 0.18 0.14 0.00 0.42 0.00 0.00 52.86 53.60 3gg9 s ASN 336 Cb 0.00 -2.51 0.59 0.00 -1.45 0.00 0.00 41.25 37.89 3gg9 s ASN 336 CO 0.00 -1.24 1.52 1.33 -3.72 0.00 0.00 177.10 174.99 3gg9 n VAL 337 N 6.60 2.48 -0.31 -5.21 0.24 -1.26 -2.59 118.33 118.28 3gg9 n VAL 337 Ca 0.08 -1.91 0.05 0.00 -2.04 0.00 0.00 64.34 60.52 3gg9 n VAL 337 Cb 0.49 -0.28 0.25 0.00 -1.47 0.00 0.00 33.84 32.82 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 2.06 0.89 0.02 -1.34 3.32 -1.96 -2.62 116.42 116.78 3gg9 h ASP 338 Ca 0.07 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3gg9 h ASP 338 Cb 1.67 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 41.05 3gg9 h ASP 338 CO 0.35 0.55 0.00 -1.54 -1.72 0.00 0.00 179.24 176.88 3gg9 n SER 339 N -4.52 0.00 -4.64 6.45 3.41 -1.26 -4.82 113.62 108.25 3gg9 n SER 339 Ca 0.15 -0.86 -0.43 0.00 -0.26 0.00 0.00 58.87 57.47 3gg9 n SER 339 Cb 0.25 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 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 -2.02 4.41 0.16 -3.33 1.01 -0.99 -0.68 120.40 118.96 3gg9 s VAL 340 Ca 0.42 1.63 0.13 0.00 0.00 0.00 0.00 61.98 64.16 3gg9 s VAL 340 Cb 0.19 -4.32 -0.00 0.00 0.00 0.00 0.00 36.38 32.25 3gg9 s VAL 340 CO 0.33 -0.45 1.56 0.00 0.00 0.00 0.00 175.10 176.55 3gg9 h ALA 341 N 8.36 0.83 -2.47 5.51 0.00 -0.64 -3.37 119.26 127.48 3gg9 h ALA 341 Ca -0.22 -0.55 -0.61 0.00 0.00 0.00 0.00 54.91 53.53 3gg9 h ALA 341 Cb 1.07 -0.10 -0.42 0.00 0.00 0.00 0.00 17.79 18.35 3gg9 h ALA 341 CO 1.03 0.76 -0.60 0.27 0.00 0.00 0.00 179.25 180.70 3gg9 n ASN 342 N -3.57 3.38 0.04 0.00 6.94 -1.26 -4.97 115.26 115.82 3gg9 n ASN 342 Ca -0.00 -3.34 0.07 0.00 -0.02 0.00 0.00 54.58 51.29 3gg9 n ASN 342 Cb 0.66 -0.70 0.32 0.00 -2.36 0.00 0.00 39.78 37.70 3gg9 n ASN 342 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 3gg9 n PRO 343 N 1.24 0.05 0.00 -0.53 -0.04 -1.26 -1.54 135.00 132.91 3gg9 n PRO 343 Ca 0.27 0.35 0.12 0.00 -0.04 0.00 0.00 63.50 64.19 3gg9 n PRO 343 Cb 0.40 -1.61 0.57 0.00 -0.04 0.00 0.00 33.50 32.81 3gg9 n PRO 343 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3gg9 n THR 344 N -1.71 0.27 0.48 0.52 -2.24 -1.26 -2.18 114.28 108.16 3gg9 n THR 344 Ca 0.02 0.07 0.12 0.00 -2.27 0.00 0.00 64.05 61.99 3gg9 n THR 344 Cb 0.15 -0.65 0.46 0.00 -2.10 0.00 0.00 70.33 68.19 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 -1.42 1.80 0.34 6.98 0.00 -0.59 -3.10 120.51 124.53 3gg9 n ALA 345 Ca 0.08 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.68 3gg9 n ALA 345 Cb 0.25 -1.39 0.20 0.00 0.00 0.00 0.00 19.45 18.52 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 0.00-10.05 0.00 3.38 -1.64 -3.43 115.31 103.58 3gg9 h LEU 346 Ca 0.00 -0.02 -0.51 0.00 0.09 0.00 0.00 57.88 57.43 3gg9 h LEU 346 Cb 0.42 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.26 3gg9 h LEU 346 CO 0.00 0.01 0.48 0.00 0.09 0.00 0.00 178.44 179.03 3gg9 s ALA 347 N -3.20 2.81 0.69 1.53 0.00 -1.18 -5.01 121.76 117.40 3gg9 s ALA 347 Ca 0.07 0.97 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 3gg9 s ALA 347 Cb 0.09 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.81 3gg9 s ALA 347 CO 0.68 -0.86 1.11 -1.25 0.00 0.00 0.00 175.76 175.43 3gg9 s PRO 348 N -2.98 2.64 0.47 0.00 0.04 -1.26 -4.67 135.00 129.24 3gg9 s PRO 348 Ca 0.69 1.33 0.21 0.00 0.04 0.00 0.00 61.00 63.27 3gg9 s PRO 348 Cb -0.29 -1.93 1.22 0.00 0.04 0.00 0.00 34.50 33.53 3gg9 s PRO 348 CO 0.34 -1.37 1.94 0.00 0.04 0.00 0.00 177.00 177.95 3gg9 h ALA 349 N -0.30 2.32 0.15 8.56 0.00 -1.95 -0.03 119.26 128.01 3gg9 h ALA 349 Ca -0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3gg9 h ALA 349 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gg9 h ALA 349 CO 0.53 -0.52 -0.07 -0.07 0.00 0.00 0.00 179.25 179.12 3gg9 h LEU 350 N 0.23 -0.17 -0.43 0.00 3.38 -2.02 -3.24 115.31 113.04 3gg9 h LEU 350 Ca 0.34 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3gg9 h LEU 350 Cb 1.00 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 3gg9 h LEU 350 CO -0.07 0.13 0.06 0.40 0.09 0.00 0.00 178.44 179.05 3gg9 h ILE 351 N -0.49 1.25 0.00 1.22 2.04 -1.72 -3.55 117.51 116.25 3gg9 h ILE 351 Ca -0.02 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.92 3gg9 h ILE 351 Cb 0.39 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3gg9 h ILE 351 CO 0.03 0.32 0.00 -1.14 0.00 0.00 0.00 178.15 177.36