#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gg3 s HIS 2 N 0.00 3.45 0.34 2.03 5.04 -1.26 -0.47 115.29 124.42 1gg3 s HIS 2 Ca 0.00 0.67 0.08 0.00 -1.54 0.00 0.00 55.06 54.27 1gg3 s HIS 2 Cb 0.00 -2.43 -0.04 0.00 0.04 0.00 0.00 32.58 30.15 1gg3 s HIS 2 CO 0.00 0.17 0.19 0.00 -2.34 0.00 0.00 174.74 172.76 1gg3 s LYS 4 N -3.90 0.15 -0.15 0.00 1.02 -0.85 -2.72 119.74 113.29 1gg3 s LYS 4 Ca 0.39 0.32 -0.02 0.00 0.02 0.00 0.00 55.97 56.68 1gg3 s LYS 4 Cb -0.03 -0.92 -0.02 0.00 -0.52 0.00 0.00 37.83 36.33 1gg3 s LYS 4 CO 0.24 -0.55 -0.09 0.08 -0.92 0.00 0.00 175.35 174.11 1gg3 s VAL 5 N 2.32 3.38 -0.37 3.17 1.01 0.18 0.49 120.40 130.58 1gg3 s VAL 5 Ca 0.05 -0.54 -0.23 0.00 0.00 0.00 0.00 61.98 61.27 1gg3 s VAL 5 Cb -0.15 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.79 1gg3 s VAL 5 CO -0.10 0.51 0.76 -0.55 0.00 0.00 0.00 175.10 175.71 1gg3 s SER 6 N 0.43 6.52 0.78 3.32 0.15 0.69 0.63 113.70 126.22 1gg3 s SER 6 Ca -0.07 0.28 -0.11 0.00 0.70 0.00 0.00 55.95 56.74 1gg3 s SER 6 Cb -0.15 -2.38 0.06 0.00 -1.71 0.00 0.00 66.02 61.83 1gg3 s SER 6 CO 0.04 -0.72 1.09 -0.76 1.20 0.00 0.00 173.24 174.09 1gg3 s LEU 7 N 3.04 2.69 0.00 3.45 1.43 0.10 -1.54 118.68 127.86 1gg3 s LEU 7 Ca 0.30 1.34 0.03 0.00 -1.03 0.00 0.00 54.13 54.77 1gg3 s LEU 7 Cb -0.13 -4.00 0.14 0.00 0.03 0.00 0.00 46.19 42.23 1gg3 s LEU 7 CO 0.17 -1.86 1.06 0.18 0.23 0.00 0.00 176.35 176.13 1gg3 n LEU 8 N -3.36 0.00 -1.25 1.79 4.77 -1.26 -1.69 117.00 116.00 1gg3 n LEU 8 Ca 0.07 0.45 -0.05 0.00 -0.03 0.00 0.00 56.01 56.45 1gg3 n LEU 8 Cb 0.56 -0.45 0.20 0.00 -2.33 0.00 0.00 43.42 41.40 1gg3 n LEU 8 CO 0.56 -0.40 0.75 -0.90 -1.33 0.00 0.00 177.39 176.08 1gg3 n ASP 9 N -1.45 2.74 -1.95 -1.43 3.85 -1.26 -4.77 116.55 112.28 1gg3 n ASP 9 Ca 0.01 -3.69 -0.20 0.00 -0.71 0.00 0.00 54.79 50.20 1gg3 n ASP 9 Cb 0.03 -0.65 -0.05 0.00 -1.35 0.00 0.00 41.12 39.10 1gg3 n ASP 9 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1gg3 n ASP 10 N -1.06 -5.51 -4.95 -1.12 10.43 -0.68 -4.98 116.55 108.68 1gg3 n ASP 10 Ca 0.35 0.28 -0.24 0.00 2.57 0.00 0.00 54.79 57.74 1gg3 n ASP 10 Cb 1.09 -4.74 -0.02 0.00 1.84 0.00 0.00 41.12 39.28 1gg3 n ASP 10 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1gg3 s THR 11 N -2.84 5.24 -0.13 -3.53 2.01 -1.25 -4.90 115.64 110.22 1gg3 s THR 11 Ca 0.00 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.35 1gg3 s THR 11 Cb 0.00 -3.80 -0.00 0.00 0.01 0.00 0.00 72.50 68.71 1gg3 s THR 11 CO 0.00 -0.27 -0.18 -0.69 -0.69 0.00 0.00 174.62 172.79 1gg3 s VAL 12 N -1.95 2.55 -0.23 3.82 1.01 -1.26 0.01 120.40 124.34 1gg3 s VAL 12 Ca 0.36 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 1gg3 s VAL 12 Cb -0.10 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1gg3 s VAL 12 CO 0.30 0.53 0.15 -0.47 0.00 0.00 0.00 175.10 175.62 1gg3 s TYR 13 N 0.55 3.33 -0.02 5.22 5.04 0.21 -4.92 117.35 126.75 1gg3 s TYR 13 Ca -0.11 0.23 0.06 0.00 -2.44 0.00 0.00 57.07 54.82 1gg3 s TYR 13 Cb -0.16 -2.25 -0.02 0.00 0.35 0.00 0.00 41.96 39.87 1gg3 s TYR 13 CO 0.04 0.10 -0.20 -1.21 -1.34 0.00 0.00 175.55 172.94 1gg3 s GLU 14 N 0.94 2.26 0.29 4.97 2.02 -1.26 0.49 118.70 128.40 1gg3 s GLU 14 Ca 0.07 -0.84 -0.20 0.00 0.02 0.00 0.00 54.97 54.03 1gg3 s GLU 14 Cb -0.13 -2.21 0.05 0.00 0.10 0.00 0.00 34.13 31.94 1gg3 s GLU 14 CO 0.03 0.58 0.84 0.00 0.02 0.00 0.00 175.26 176.73 1gg3 s VAL 16 N -2.93 1.89 0.20 0.00 1.01 -1.26 0.77 120.40 120.08 1gg3 s VAL 16 Ca 0.15 -0.93 0.10 0.00 0.00 0.00 0.00 61.98 61.30 1gg3 s VAL 16 Cb -0.04 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1gg3 s VAL 16 CO 0.08 0.52 -0.20 0.68 0.00 0.00 0.00 175.10 176.18 1gg3 s VAL 17 N 0.28 2.14 0.60 2.92 -7.23 0.38 -4.91 120.40 114.57 1gg3 s VAL 17 Ca -0.15 -2.10 -0.19 0.00 -1.81 0.00 0.00 61.98 57.74 1gg3 s VAL 17 Cb -0.17 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 1gg3 s VAL 17 CO 0.07 -0.30 1.20 -1.83 -0.31 0.00 0.00 175.10 173.93 1gg3 s GLU 18 N -3.01 2.96 0.27 4.82 -1.05 -1.26 0.91 118.70 122.35 1gg3 s GLU 18 Ca 0.21 1.80 0.01 0.00 -0.15 0.00 0.00 54.97 56.84 1gg3 s GLU 18 Cb -0.06 -1.93 0.57 0.00 -0.44 0.00 0.00 34.13 32.28 1gg3 s GLU 18 CO 0.10 -1.21 1.79 1.57 0.95 0.00 0.00 175.26 178.45 1gg3 h LYS 19 N 0.84 0.73 -0.50 -4.83 2.10 -2.00 -0.23 116.57 112.69 1gg3 h LYS 19 Ca -0.50 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.10 1gg3 h LYS 19 Cb 1.29 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1gg3 h LYS 19 CO 0.55 0.48 0.00 0.72 -2.00 0.00 0.00 179.45 179.20 1gg3 n HIS 20 N -4.78 0.69 -1.63 0.07 8.25 -1.26 -4.42 115.22 112.14 1gg3 n HIS 20 Ca 0.19 -0.30 -0.45 0.00 -0.26 0.00 0.00 57.72 56.89 1gg3 n HIS 20 Cb 0.44 -0.08 -0.02 0.00 1.12 0.00 0.00 29.99 31.44 1gg3 n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1gg3 n ALA 21 N 0.61 0.29 -0.99 -1.41 0.00 -0.10 -4.76 120.51 114.15 1gg3 n ALA 21 Ca 0.14 0.41 -0.29 0.00 0.00 0.00 0.00 53.44 53.71 1gg3 n ALA 21 Cb 0.45 -2.14 0.21 0.00 0.00 0.00 0.00 19.45 17.97 1gg3 n ALA 21 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1gg3 s LYS 22 N -0.88 -0.26 0.00 0.00 2.47 -1.26 -2.23 119.74 117.58 1gg3 s LYS 22 Ca 0.65 0.48 0.00 0.00 -1.56 0.00 0.00 55.97 55.54 1gg3 s LYS 22 Cb -0.71 -1.66 0.00 0.00 -1.46 0.00 0.00 37.83 34.00 1gg3 s LYS 22 CO 0.55 -3.19 0.00 0.41 0.16 0.00 0.00 175.35 173.27 1gg3 n GLY 23 N -0.56 -3.26 0.15 5.54 0.00 0.68 -3.80 105.19 103.93 1gg3 n GLY 23 Ca 0.05 -1.08 0.13 0.00 0.00 0.00 0.00 46.02 45.12 1gg3 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gg3 n GLN 24 N -1.30 -0.01 -0.30 1.61 10.64 -1.26 0.23 117.38 126.99 1gg3 n GLN 24 Ca 0.00 0.44 0.12 0.00 -1.83 0.00 0.00 57.00 55.73 1gg3 n GLN 24 Cb 0.00 -0.85 0.24 0.00 -0.86 0.00 0.00 30.24 28.77 1gg3 n GLN 24 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1gg3 n ASP 25 N -3.45 -0.13 -0.08 2.61 2.03 -1.24 0.40 116.55 116.69 1gg3 n ASP 25 Ca 0.14 1.48 -0.22 0.00 0.52 0.00 0.00 54.79 56.71 1gg3 n ASP 25 Cb 0.51 -0.53 -0.12 0.00 -0.72 0.00 0.00 41.12 40.27 1gg3 n ASP 25 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1gg3 n LEU 26 N -5.28 2.54 0.06 -2.67 4.77 0.61 -3.19 117.00 113.84 1gg3 n LEU 26 Ca 0.20 0.14 -0.13 0.00 -0.03 0.00 0.00 56.01 56.19 1gg3 n LEU 26 Cb 0.64 -0.98 -0.09 0.00 -2.33 0.00 0.00 43.42 40.66 1gg3 n LEU 26 CO -0.07 0.76 0.58 0.25 -1.33 0.00 0.00 177.39 177.57 1gg3 h LEU 27 N -0.28 -0.15 -1.44 2.23 6.46 -0.94 -2.56 115.31 118.63 1gg3 h LEU 27 Ca -0.51 -0.33 -0.02 0.00 -0.12 0.00 0.00 57.88 56.90 1gg3 h LEU 27 Cb 1.82 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 41.77 1gg3 h LEU 27 CO -0.10 0.28 0.18 0.50 -0.62 0.00 0.00 178.44 178.69 1gg3 h LYS 28 N -0.62 0.56 -0.91 1.25 3.64 0.75 0.55 116.57 121.80 1gg3 h LYS 28 Ca -0.02 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1gg3 h LYS 28 Cb 0.47 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1gg3 h LYS 28 CO 0.03 0.45 0.60 -0.09 -2.27 0.00 0.00 179.45 178.16 1gg3 h ARG 29 N 0.56 1.20 0.00 1.90 9.65 -1.28 0.44 114.38 126.85 1gg3 h ARG 29 Ca 0.14 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1gg3 h ARG 29 Cb 0.08 -0.27 -0.00 0.00 -1.39 0.00 0.00 29.97 28.39 1gg3 h ARG 29 CO -0.02 0.80 -0.04 0.28 2.80 0.00 0.00 179.97 183.78 1gg3 h VAL 30 N 1.23 0.16 0.10 0.20 2.07 -0.49 -2.03 116.25 117.49 1gg3 h VAL 30 Ca 0.33 -0.45 -0.35 0.00 0.82 0.00 0.00 66.70 67.05 1gg3 h VAL 30 Cb -0.14 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1gg3 h VAL 30 CO -0.07 0.04 -1.90 0.00 0.02 0.00 0.00 177.57 175.67 1gg3 h GLU 32 N 0.06 0.78 0.84 0.00 4.39 -0.71 -0.70 114.58 119.24 1gg3 h GLU 32 Ca -0.38 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.23 1gg3 h GLU 32 Cb 2.04 -0.18 0.01 0.00 -0.10 0.00 0.00 28.75 30.52 1gg3 h GLU 32 CO 0.10 0.52 -0.40 0.45 -1.16 0.00 0.00 179.01 178.51 1gg3 h HIS 33 N 0.81 -1.05 0.00 4.33 3.86 -1.49 -0.48 115.15 121.13 1gg3 h HIS 33 Ca 0.42 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 1gg3 h HIS 33 Cb 0.42 0.35 0.00 0.00 1.06 0.00 0.00 27.41 29.24 1gg3 h HIS 33 CO -0.05 -0.65 0.17 -0.11 0.86 0.00 0.00 177.93 178.14 1gg3 n LEU 34 N -5.14 0.41 -0.47 2.43 -0.00 -0.99 -0.10 117.00 113.13 1gg3 n LEU 34 Ca -0.14 0.63 0.09 0.00 -0.00 0.00 0.00 56.01 56.59 1gg3 n LEU 34 Cb 0.45 -0.63 0.01 0.00 -0.00 0.00 0.00 43.42 43.25 1gg3 n LEU 34 CO 0.34 -0.77 0.33 0.59 -0.00 0.00 0.00 177.39 177.88 1gg3 n ASN 35 N -2.09 1.90 -2.47 1.96 3.02 -0.31 -4.98 115.26 112.30 1gg3 n ASN 35 Ca -0.01 -1.45 -0.21 0.00 -0.03 0.00 0.00 54.58 52.88 1gg3 n ASN 35 Cb 0.19 0.37 -0.00 0.00 -0.61 0.00 0.00 39.78 39.72 1gg3 n ASN 35 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1gg3 n LEU 36 N 0.15 -2.03 -4.85 3.41 -0.00 0.86 -4.96 117.00 109.58 1gg3 n LEU 36 Ca 0.08 -0.05 -0.33 0.00 -0.00 0.00 0.00 56.01 55.71 1gg3 n LEU 36 Cb 0.39 -2.95 -0.06 0.00 -0.00 0.00 0.00 43.42 40.80 1gg3 n LEU 36 CO 0.20 -0.17 0.30 -0.76 -0.00 0.00 0.00 177.39 176.96 1gg3 s LEU 37 N -6.12 4.20 -0.07 -1.96 1.43 -0.33 -4.98 118.68 110.85 1gg3 s LEU 37 Ca 0.04 1.11 0.05 0.00 -1.03 0.00 0.00 54.13 54.29 1gg3 s LEU 37 Cb -0.02 -3.69 -0.08 0.00 0.03 0.00 0.00 46.19 42.44 1gg3 s LEU 37 CO 0.04 -0.06 -0.00 1.21 0.23 0.00 0.00 176.35 177.77 1gg3 n GLU 38 N 0.10 2.20 -2.36 1.70 4.07 -1.26 -4.67 120.64 120.42 1gg3 n GLU 38 Ca -0.00 0.01 -0.42 0.00 -0.06 0.00 0.00 57.16 56.69 1gg3 n GLU 38 Cb 0.52 -1.18 0.00 0.00 -0.06 0.00 0.00 31.44 30.73 1gg3 n GLU 38 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1gg3 n GLU 39 N -2.38 4.05 0.20 5.31 1.02 -1.26 -4.78 120.64 122.79 1gg3 n GLU 39 Ca -0.12 -3.70 -0.17 0.00 -0.02 0.00 0.00 57.16 53.15 1gg3 n GLU 39 Cb 0.71 -2.78 -0.10 0.00 -0.02 0.00 0.00 31.44 29.25 1gg3 n GLU 39 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1gg3 h ASP 40 N 5.37 -1.48 -0.41 1.62 5.19 -1.95 -3.06 116.42 121.70 1gg3 h ASP 40 Ca 0.44 0.14 0.11 0.00 -0.62 0.00 0.00 57.03 57.10 1gg3 h ASP 40 Cb 0.54 0.52 -0.08 0.00 0.18 0.00 0.00 39.33 40.49 1gg3 h ASP 40 CO 1.54 -0.60 -0.01 -1.22 -3.12 0.00 0.00 179.24 175.83 1gg3 n TYR 41 N -5.45 0.25 -1.47 4.55 0.53 -1.26 -4.29 117.16 110.01 1gg3 n TYR 41 Ca -0.10 0.50 -0.34 0.00 -1.02 0.00 0.00 57.90 56.94 1gg3 n TYR 41 Cb 0.43 -0.80 0.09 0.00 -1.03 0.00 0.00 39.34 38.03 1gg3 n TYR 41 CO 0.00 0.00 0.00 -0.06 -1.02 0.00 0.00 176.86 175.78 1gg3 s PHE 42 N -5.25 2.17 0.00 -0.72 0.40 -1.16 -4.66 117.98 108.76 1gg3 s PHE 42 Ca -0.05 1.60 0.00 0.00 -0.60 0.00 0.00 56.93 57.87 1gg3 s PHE 42 Cb 0.12 -3.39 0.00 0.00 0.51 0.00 0.00 43.02 40.26 1gg3 s PHE 42 CO 0.32 -2.39 0.00 0.41 0.70 0.00 0.00 175.22 174.26 1gg3 n GLY 43 N 0.16 0.00 0.00 4.36 0.00 -0.89 -4.38 105.19 104.44 1gg3 n GLY 43 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1gg3 n GLY 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1gg3 n LEU 44 N 0.00 0.00 -3.68 0.99 7.99 -0.96 -0.73 117.00 120.61 1gg3 n LEU 44 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 56.01 55.98 1gg3 n LEU 44 Cb 0.00 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.30 1gg3 n LEU 44 CO 0.00 0.00 0.83 0.00 -1.51 0.00 0.00 177.39 176.71 1gg3 s ALA 45 N 0.00 -1.87 -0.07 -1.18 0.00 0.18 -4.66 121.76 114.16 1gg3 s ALA 45 Ca 0.00 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.41 1gg3 s ALA 45 Cb 0.00 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.64 1gg3 s ALA 45 CO 0.00 -1.00 -0.08 0.96 0.00 0.00 0.00 175.76 175.64 1gg3 s ILE 46 N -2.97 0.90 0.47 0.00 -4.36 -1.26 0.40 121.20 114.38 1gg3 s ILE 46 Ca 0.12 -0.29 0.07 0.00 -0.26 0.00 0.00 60.65 60.29 1gg3 s ILE 46 Cb 0.01 -0.89 0.01 0.00 1.25 0.00 0.00 42.46 42.84 1gg3 s ILE 46 CO -0.01 0.32 0.45 -1.66 0.24 0.00 0.00 174.94 174.28 1gg3 s TRP 47 N 1.13 2.25 -0.07 1.37 1.48 -0.79 -1.39 118.94 122.91 1gg3 s TRP 47 Ca -0.07 -0.61 0.03 0.00 -1.06 0.00 0.00 56.10 54.39 1gg3 s TRP 47 Cb -0.14 -2.12 0.01 0.00 -1.16 0.00 0.00 33.47 30.05 1gg3 s TRP 47 CO -0.01 -0.37 -0.17 0.16 -4.06 0.00 0.00 176.95 172.49 1gg3 s ASP 48 N -4.25 2.32 0.00 -2.66 3.84 -1.13 -0.02 116.67 114.77 1gg3 s ASP 48 Ca 0.47 -0.40 0.00 0.00 -0.00 0.00 0.00 52.55 52.61 1gg3 s ASP 48 Cb -0.04 -1.01 0.00 0.00 -1.38 0.00 0.00 42.92 40.50 1gg3 s ASP 48 CO 0.28 0.10 0.00 0.59 -0.00 0.00 0.00 175.17 176.14 1gg3 n ASN 49 N 3.60 0.00 -3.26 2.11 3.02 -1.26 -4.20 115.26 115.26 1gg3 n ASN 49 Ca -0.21 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.07 1gg3 n ASN 49 Cb 0.52 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.72 1gg3 n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gg3 n ALA 50 N 0.00 -2.58 -0.11 5.41 0.00 -1.26 -4.43 120.51 117.54 1gg3 n ALA 50 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1gg3 n ALA 50 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 16.66 1gg3 n ALA 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1gg3 n THR 51 N -0.30 0.00 -1.77 0.00 -1.04 -1.26 -4.41 114.28 105.49 1gg3 n THR 51 Ca -0.01 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.61 1gg3 n THR 51 Cb 0.60 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.14 1gg3 n THR 51 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1gg3 s SER 52 N -4.00 5.43 0.79 8.00 0.01 -1.26 -4.94 113.70 117.73 1gg3 s SER 52 Ca 0.00 2.83 -0.12 0.00 1.31 0.00 0.00 55.95 59.97 1gg3 s SER 52 Cb 0.00 -2.64 0.07 0.00 0.21 0.00 0.00 66.02 63.66 1gg3 s SER 52 CO 0.00 -1.47 1.13 -1.59 0.41 0.00 0.00 173.24 171.72 1gg3 s LYS 53 N -2.77 1.91 -0.18 12.44 -2.85 -1.26 -4.95 119.74 122.07 1gg3 s LYS 53 Ca 0.68 1.43 -0.04 0.00 -1.00 0.00 0.00 55.97 57.04 1gg3 s LYS 53 Cb -0.42 -1.84 0.08 0.00 -2.06 0.00 0.00 37.83 33.59 1gg3 s LYS 53 CO 0.51 -1.94 0.17 0.99 0.10 0.00 0.00 175.35 175.17 1gg3 s THR 54 N -2.58 -0.23 0.10 3.79 2.01 -1.26 -5.02 115.64 112.45 1gg3 s THR 54 Ca 0.66 -0.10 -0.31 0.00 0.31 0.00 0.00 61.69 62.25 1gg3 s THR 54 Cb -0.22 -0.61 -0.09 0.00 0.01 0.00 0.00 72.50 71.60 1gg3 s THR 54 CO 0.53 -0.21 1.61 0.26 -0.69 0.00 0.00 174.62 176.12 1gg3 s TRP 55 N 2.25 2.64 -0.29 4.92 0.52 -1.26 -2.83 118.94 124.89 1gg3 s TRP 55 Ca 0.05 0.44 -0.29 0.00 0.02 0.00 0.00 56.10 56.32 1gg3 s TRP 55 Cb -0.16 -3.93 -0.02 0.00 -1.15 0.00 0.00 33.47 28.21 1gg3 s TRP 55 CO -0.10 -3.65 1.70 -1.17 0.02 0.00 0.00 176.95 173.74 1gg3 s LEU 56 N 2.16 3.66 0.10 2.99 1.98 -0.49 -4.91 118.68 124.17 1gg3 s LEU 56 Ca 0.72 1.39 -0.33 0.00 -2.89 0.00 0.00 54.13 53.02 1gg3 s LEU 56 Cb -0.41 -3.53 -0.13 0.00 0.66 0.00 0.00 46.19 42.79 1gg3 s LEU 56 CO 0.32 -1.51 1.71 -0.67 -1.89 0.00 0.00 176.35 174.31 1gg3 n ASP 57 N 9.43 3.43 -0.18 3.68 -0.08 -1.26 -4.46 116.55 127.11 1gg3 n ASP 57 Ca 0.21 1.04 -0.10 0.00 -1.51 0.00 0.00 54.79 54.42 1gg3 n ASP 57 Cb 0.46 -1.45 0.01 0.00 2.34 0.00 0.00 41.12 42.48 1gg3 n ASP 57 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 1gg3 h SER 58 N 7.27 0.96 0.49 1.67 0.87 -1.91 -3.20 113.55 119.70 1gg3 h SER 58 Ca -0.46 -0.34 -0.11 0.00 -1.23 0.00 0.00 61.79 59.66 1gg3 h SER 58 Cb 1.25 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 1gg3 h SER 58 CO 0.92 1.07 -0.51 0.00 -0.53 0.00 0.00 176.83 177.77 1gg3 h ALA 59 N 0.92 1.14 -2.26 6.23 0.00 -1.91 -2.98 119.26 120.41 1gg3 h ALA 59 Ca 0.14 -0.47 -0.48 0.00 0.00 0.00 0.00 54.91 54.10 1gg3 h ALA 59 Cb 0.62 -0.08 0.04 0.00 0.00 0.00 0.00 17.79 18.37 1gg3 h ALA 59 CO 0.04 0.64 0.11 0.15 0.00 0.00 0.00 179.25 180.19 1gg3 s LYS 60 N -3.87 3.21 0.60 0.00 1.02 -1.21 -4.68 119.74 114.81 1gg3 s LYS 60 Ca -0.02 0.01 -0.17 0.00 0.02 0.00 0.00 55.97 55.81 1gg3 s LYS 60 Cb 0.13 -2.36 -0.03 0.00 -0.52 0.00 0.00 37.83 35.06 1gg3 s LYS 60 CO 0.75 -0.42 1.11 -1.21 -0.92 0.00 0.00 175.35 174.66 1gg3 s GLU 61 N -4.82 3.07 -0.04 1.68 2.02 -1.26 0.25 118.70 119.59 1gg3 s GLU 61 Ca 0.50 1.47 -0.23 0.00 0.02 0.00 0.00 54.97 56.74 1gg3 s GLU 61 Cb -0.10 -1.98 -0.17 0.00 0.10 0.00 0.00 34.13 31.98 1gg3 s GLU 61 CO 0.44 -1.05 0.98 0.82 0.02 0.00 0.00 175.26 176.47 1gg3 h ILE 62 N 0.56 0.94 -0.99 -1.63 2.04 -1.65 -3.33 117.51 113.44 1gg3 h ILE 62 Ca -0.48 -1.09 0.10 0.00 1.00 0.00 0.00 64.86 64.39 1gg3 h ILE 62 Cb 1.25 1.53 -0.13 0.00 -0.74 0.00 0.00 36.82 38.74 1gg3 h ILE 62 CO 0.55 0.23 -0.55 1.17 0.00 0.00 0.00 178.15 179.55 1gg3 n LYS 63 N -4.93 -0.40 -0.12 2.37 4.81 -1.26 -0.36 118.16 118.27 1gg3 n LYS 63 Ca -0.08 1.51 0.26 0.00 -0.87 0.00 0.00 58.31 59.13 1gg3 n LYS 63 Cb 0.27 -2.22 0.72 0.00 0.02 0.00 0.00 35.03 33.82 1gg3 n LYS 63 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1gg3 h LYS 64 N 0.00 0.00 0.00 1.64 1.57 -1.95 -1.12 116.57 116.71 1gg3 h LYS 64 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1gg3 h LYS 64 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1gg3 h LYS 64 CO -0.94 0.00 -0.70 1.96 -0.57 0.00 0.00 179.45 179.20 1gg3 h GLN 65 N 0.00 0.00 -0.61 3.15 4.20 -0.81 -3.36 115.11 117.69 1gg3 h GLN 65 Ca 0.37 0.00 -0.42 0.00 0.06 0.00 0.00 58.65 58.66 1gg3 h GLN 65 Cb 1.51 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 29.01 1gg3 h GLN 65 CO -0.00 0.00 -0.35 1.33 -0.67 0.00 0.00 178.83 179.14 1gg3 n VAL 66 N -2.24 2.67 -2.26 -0.54 0.24 -0.43 -4.98 118.33 110.79 1gg3 n VAL 66 Ca 0.03 -3.56 -0.43 0.00 -2.04 0.00 0.00 64.34 58.34 1gg3 n VAL 66 Cb 0.46 -0.84 -0.02 0.00 -1.47 0.00 0.00 33.84 31.96 1gg3 n VAL 66 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1gg3 s ARG 67 N -3.51 4.22 0.00 7.34 0.52 -1.18 -2.02 118.95 124.32 1gg3 s ARG 67 Ca 0.50 1.87 0.00 0.00 -0.52 0.00 0.00 55.73 57.58 1gg3 s ARG 67 Cb 0.42 -3.82 0.00 0.00 0.52 0.00 0.00 34.95 32.07 1gg3 s ARG 67 CO 0.01 -0.74 0.00 0.41 0.02 0.00 0.00 175.30 175.00 1gg3 n GLY 68 N 3.79 2.54 3.43 -3.53 0.00 -1.26 -5.05 105.19 105.11 1gg3 n GLY 68 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 1gg3 n GLY 68 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1gg3 s VAL 69 N -2.61 1.92 0.61 1.61 -7.23 -0.86 -5.14 120.40 108.70 1gg3 s VAL 69 Ca 0.00 -2.21 -0.12 0.00 -1.81 0.00 0.00 61.98 57.84 1gg3 s VAL 69 Cb 0.00 -2.34 -0.05 0.00 0.56 0.00 0.00 36.38 34.56 1gg3 s VAL 69 CO 0.00 -0.39 1.02 -2.16 -0.31 0.00 0.00 175.10 173.27 1gg3 s PRO 70 N -3.65 3.64 -1.29 4.82 0.04 -1.26 -4.89 135.00 132.42 1gg3 s PRO 70 Ca 0.28 0.78 -0.13 0.00 0.04 0.00 0.00 61.00 61.97 1gg3 s PRO 70 Cb 0.01 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1gg3 s PRO 70 CO 0.12 -0.53 2.34 0.91 0.04 0.00 0.00 177.00 179.87 1gg3 n TRP 71 N -2.59 2.61 -4.77 0.56 7.02 -1.26 -4.85 117.44 114.15 1gg3 n TRP 71 Ca 0.06 -2.63 -0.31 0.00 -1.02 0.00 0.00 57.50 53.60 1gg3 n TRP 71 Cb 0.54 -2.25 -0.17 0.00 -2.42 0.00 0.00 31.31 27.02 1gg3 n TRP 71 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1gg3 s ASN 72 N 3.33 2.83 0.41 -0.99 0.01 -1.26 -2.01 114.94 117.25 1gg3 s ASN 72 Ca 0.54 -0.52 0.04 0.00 -0.71 0.00 0.00 52.86 52.20 1gg3 s ASN 72 Cb 0.15 -1.30 -0.01 0.00 0.41 0.00 0.00 41.25 40.49 1gg3 s ASN 72 CO -0.03 0.08 0.13 0.49 -1.51 0.00 0.00 177.10 176.26 1gg3 n PHE 73 N 3.92 0.20 -4.03 2.20 3.01 0.18 -4.30 117.46 118.64 1gg3 n PHE 73 Ca -0.20 -2.56 -0.13 0.00 1.01 0.00 0.00 57.45 55.58 1gg3 n PHE 73 Cb 0.52 -0.03 -0.13 0.00 -0.01 0.00 0.00 39.48 39.84 1gg3 n PHE 73 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1gg3 s THR 74 N -3.04 0.29 -0.18 4.37 -4.23 0.97 -0.22 115.64 113.60 1gg3 s THR 74 Ca 0.19 -0.57 -0.16 0.00 -1.18 0.00 0.00 61.69 59.97 1gg3 s THR 74 Cb 0.01 -0.33 -0.04 0.00 1.34 0.00 0.00 72.50 73.48 1gg3 s THR 74 CO 0.13 -0.19 0.42 0.12 -0.54 0.00 0.00 174.62 174.57 1gg3 s PHE 75 N -0.75 3.41 0.23 3.99 2.19 -0.59 -1.88 117.98 124.59 1gg3 s PHE 75 Ca -0.06 0.69 -0.03 0.00 0.33 0.00 0.00 56.93 57.86 1gg3 s PHE 75 Cb -0.06 -2.53 -0.03 0.00 -1.31 0.00 0.00 43.02 39.10 1gg3 s PHE 75 CO -0.00 0.04 0.24 -0.80 1.83 0.00 0.00 175.22 176.53 1gg3 s ASN 76 N 0.91 0.29 -0.26 6.13 -0.87 0.16 -4.24 114.94 117.07 1gg3 s ASN 76 Ca 0.21 -1.33 -0.20 0.00 -1.57 0.00 0.00 52.86 49.96 1gg3 s ASN 76 Cb -0.15 0.46 -0.02 0.00 -0.02 0.00 0.00 41.25 41.53 1gg3 s ASN 76 CO 0.08 -0.96 0.64 -0.69 -2.57 0.00 0.00 177.10 173.60 1gg3 s VAL 77 N -3.99 4.97 -0.14 1.60 1.01 -1.26 0.48 120.40 123.07 1gg3 s VAL 77 Ca 0.35 1.13 -0.19 0.00 0.00 0.00 0.00 61.98 63.27 1gg3 s VAL 77 Cb 0.04 -3.95 -0.24 0.00 0.00 0.00 0.00 36.38 32.23 1gg3 s VAL 77 CO 0.13 0.01 0.47 0.50 0.00 0.00 0.00 175.10 176.22 1gg3 h LYS 78 N 7.91 0.13 -4.73 2.72 3.64 -1.18 -3.44 116.57 121.62 1gg3 h LYS 78 Ca -0.27 -0.23 -0.68 0.00 -1.27 0.00 0.00 60.65 58.21 1gg3 h LYS 78 Cb 1.12 0.08 -0.34 0.00 -0.41 0.00 0.00 32.23 32.68 1gg3 h LYS 78 CO 0.78 1.11 -0.69 -0.06 -2.27 0.00 0.00 179.45 178.32 1gg3 s PHE 79 N -2.41 3.35 -0.45 1.91 0.40 -1.26 -4.78 117.98 114.76 1gg3 s PHE 79 Ca -0.23 -2.10 -0.29 0.00 -0.60 0.00 0.00 56.93 53.72 1gg3 s PHE 79 Cb 0.04 -2.32 0.01 0.00 0.51 0.00 0.00 43.02 41.26 1gg3 s PHE 79 CO 0.70 -0.85 1.38 0.71 0.70 0.00 0.00 175.22 177.86 1gg3 s TYR 80 N 1.19 2.43 0.10 0.36 1.51 -1.26 -2.09 117.35 119.59 1gg3 s TYR 80 Ca -0.02 0.65 -0.33 0.00 -1.01 0.00 0.00 57.07 56.35 1gg3 s TYR 80 Cb -0.20 -4.34 -0.13 0.00 -0.11 0.00 0.00 41.96 37.18 1gg3 s TYR 80 CO -0.03 -1.89 1.71 -0.35 -1.11 0.00 0.00 175.55 173.88 1gg3 n PRO 81 N 8.15 2.34 0.12 -1.71 -0.04 -1.26 -4.79 135.00 137.81 1gg3 n PRO 81 Ca 0.15 0.85 0.05 0.00 -0.04 0.00 0.00 63.50 64.51 1gg3 n PRO 81 Cb 0.48 -2.67 0.50 0.00 -0.04 0.00 0.00 33.50 31.78 1gg3 n PRO 81 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1gg3 h PRO 82 N 7.26 0.27 -2.60 0.54 0.11 -1.99 -3.33 132.00 132.26 1gg3 h PRO 82 Ca -0.46 -0.02 -0.60 0.00 0.11 0.00 0.00 66.00 65.03 1gg3 h PRO 82 Cb 1.25 -0.06 -0.39 0.00 0.11 0.00 0.00 31.00 31.91 1gg3 h PRO 82 CO 0.92 0.22 -0.86 0.34 -0.21 0.00 0.00 178.00 178.41 1gg3 s ASP 83 N -6.87 2.51 0.59 -2.05 2.15 -1.26 -4.97 116.67 106.77 1gg3 s ASP 83 Ca -0.06 -2.97 0.30 0.00 0.43 0.00 0.00 52.55 50.25 1gg3 s ASP 83 Cb 0.17 -0.69 1.32 0.00 -0.30 0.00 0.00 42.92 43.42 1gg3 s ASP 83 CO 0.71 -0.20 1.68 1.55 -0.17 0.00 0.00 175.17 178.75 1gg3 h PRO 84 N 6.00 0.00 0.00 4.34 0.13 -1.93 0.11 132.00 140.65 1gg3 h PRO 84 Ca 0.17 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.24 1gg3 h PRO 84 Cb 0.90 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1gg3 h PRO 84 CO 0.42 0.00 -0.33 0.00 -0.23 0.00 0.00 178.00 177.86 1gg3 h ALA 85 N 1.14 1.40 0.00 -0.56 0.00 -1.95 -1.88 119.26 117.41 1gg3 h ALA 85 Ca 0.37 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1gg3 h ALA 85 Cb 1.95 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1gg3 h ALA 85 CO -0.00 0.41 0.00 0.94 0.00 0.00 0.00 179.25 180.60 1gg3 n GLN 86 N -4.07 0.73 -2.77 0.00 7.27 0.37 -4.80 117.38 114.12 1gg3 n GLN 86 Ca -0.02 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.67 1gg3 n GLN 86 Cb 0.38 -1.27 -0.06 0.00 2.41 0.00 0.00 30.24 31.69 1gg3 n GLN 86 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1gg3 s LEU 87 N -1.55 4.48 0.08 1.69 1.43 -0.71 -4.98 118.68 119.13 1gg3 s LEU 87 Ca 0.19 1.89 -0.28 0.00 -1.03 0.00 0.00 54.13 54.90 1gg3 s LEU 87 Cb 0.09 -3.83 -0.16 0.00 0.03 0.00 0.00 46.19 42.32 1gg3 s LEU 87 CO 0.15 0.04 1.68 0.74 0.23 0.00 0.00 176.35 179.18 1gg3 h THR 88 N 2.86 0.62 -2.22 5.49 2.02 -1.89 -3.46 112.91 116.33 1gg3 h THR 88 Ca -0.46 0.00 -0.52 0.00 0.77 0.00 0.00 66.41 66.20 1gg3 h THR 88 Cb 1.20 0.62 -0.06 0.00 -1.74 0.00 0.00 68.15 68.17 1gg3 h THR 88 CO 0.66 0.00 -0.55 -1.61 0.37 0.00 0.00 175.52 174.39 1gg3 s GLU 89 N -6.11 2.80 -0.04 6.66 2.02 -1.26 -5.06 118.70 117.71 1gg3 s GLU 89 Ca -0.15 -1.12 -0.25 0.00 0.02 0.00 0.00 54.97 53.46 1gg3 s GLU 89 Cb 0.05 -2.49 -0.21 0.00 0.10 0.00 0.00 34.13 31.58 1gg3 s GLU 89 CO 0.64 0.40 1.16 -0.44 0.02 0.00 0.00 175.26 177.04 1gg3 h ASP 90 N 1.60 0.08 -0.81 -0.19 3.32 -2.00 -3.23 116.42 115.19 1gg3 h ASP 90 Ca -0.48 -0.61 0.18 0.00 0.02 0.00 0.00 57.03 56.15 1gg3 h ASP 90 Cb 1.24 -0.02 -0.11 0.00 0.22 0.00 0.00 39.33 40.65 1gg3 h ASP 90 CO 0.61 0.68 0.28 0.16 -1.72 0.00 0.00 179.24 179.24 1gg3 h ILE 91 N -0.51 0.51 -0.87 0.35 -2.65 -1.97 0.38 117.51 112.75 1gg3 h ILE 91 Ca -0.00 -0.12 0.13 0.00 1.03 0.00 0.00 64.86 65.91 1gg3 h ILE 91 Cb 0.67 0.14 -0.09 0.00 -2.05 0.00 0.00 36.82 35.49 1gg3 h ILE 91 CO 0.01 0.06 0.47 0.74 0.03 0.00 0.00 178.15 179.47 1gg3 h THR 92 N 0.34 0.79 -0.03 0.16 2.02 -1.94 0.19 112.91 114.45 1gg3 h THR 92 Ca 0.47 -0.24 -0.14 0.00 0.77 0.00 0.00 66.41 67.27 1gg3 h THR 92 Cb 0.84 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1gg3 h THR 92 CO -0.51 0.13 -0.62 0.03 0.37 0.00 0.00 175.52 174.91 1gg3 h ARG 93 N 0.71 0.10 0.75 6.66 3.08 -0.36 -1.28 114.38 124.03 1gg3 h ARG 93 Ca 0.46 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.41 1gg3 h ARG 93 Cb 0.58 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1gg3 h ARG 93 CO -0.33 0.69 -0.48 -0.92 -1.07 0.00 0.00 179.97 177.86 1gg3 h TYR 94 N 0.07 -1.28 -0.50 3.04 3.20 0.97 0.20 116.97 122.67 1gg3 h TYR 94 Ca -0.01 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1gg3 h TYR 94 Cb 1.12 0.46 -0.02 0.00 1.54 0.00 0.00 36.73 39.82 1gg3 h TYR 94 CO 0.01 -0.71 0.26 1.88 -1.64 0.00 0.00 178.16 177.96 1gg3 h TYR 95 N -1.16 0.68 -0.75 -3.82 -1.99 -1.18 -1.67 116.97 107.08 1gg3 h TYR 95 Ca -0.10 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.62 1gg3 h TYR 95 Cb 0.93 -0.22 -0.04 0.00 2.00 0.00 0.00 36.73 39.41 1gg3 h TYR 95 CO -0.12 0.49 0.44 1.25 -0.00 0.00 0.00 178.16 180.22 1gg3 h LEU 96 N 0.70 0.90 -0.20 3.88 5.85 -0.84 -0.06 115.31 125.54 1gg3 h LEU 96 Ca 0.18 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1gg3 h LEU 96 Cb 0.04 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1gg3 h LEU 96 CO -0.03 0.70 0.00 0.00 -0.34 0.00 0.00 178.44 178.78 1gg3 h LEU 98 N 0.12 0.41 -0.28 0.00 3.38 -0.76 0.63 115.31 118.82 1gg3 h LEU 98 Ca 0.06 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1gg3 h LEU 98 Cb 0.39 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1gg3 h LEU 98 CO 0.01 0.27 0.03 -0.61 0.09 0.00 0.00 178.44 178.23 1gg3 h GLN 99 N 0.56 0.13 -0.51 1.13 5.75 -0.85 0.14 115.11 121.46 1gg3 h GLN 99 Ca 0.28 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.75 1gg3 h GLN 99 Cb 0.22 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 1gg3 h GLN 99 CO -0.20 0.08 0.25 -0.07 -2.65 0.00 0.00 178.83 176.24 1gg3 h LEU 100 N 0.13 0.66 -0.21 -2.39 3.38 0.17 0.30 115.31 117.34 1gg3 h LEU 100 Ca 0.13 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1gg3 h LEU 100 Cb 0.15 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1gg3 h LEU 100 CO -0.19 0.59 -0.12 0.03 0.09 0.00 0.00 178.44 178.85 1gg3 h ARG 101 N 0.67 -0.10 -0.26 1.13 2.47 0.74 0.22 114.38 119.25 1gg3 h ARG 101 Ca 0.17 0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.95 1gg3 h ARG 101 Cb 0.11 0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.40 1gg3 h ARG 101 CO -0.02 -0.07 -0.05 0.37 0.56 0.00 0.00 179.97 180.76 1gg3 h GLN 102 N -0.10 0.02 -0.77 0.04 5.75 -0.02 -0.19 115.11 119.84 1gg3 h GLN 102 Ca 0.12 -0.00 0.14 0.00 -0.15 0.00 0.00 58.65 58.75 1gg3 h GLN 102 Cb 0.28 -0.00 -0.09 0.00 1.07 0.00 0.00 27.48 28.73 1gg3 h GLN 102 CO -0.28 0.01 0.35 -0.44 -2.65 0.00 0.00 178.83 175.83 1gg3 h ASP 103 N 0.02 0.38 -0.26 -0.69 5.19 0.76 -0.87 116.42 120.95 1gg3 h ASP 103 Ca 0.13 0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.62 1gg3 h ASP 103 Cb 0.19 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 1gg3 h ASP 103 CO -0.25 0.16 0.09 0.40 -3.12 0.00 0.00 179.24 176.52 1gg3 h ILE 104 N 0.52 1.18 -0.34 0.35 2.04 0.76 -0.42 117.51 121.61 1gg3 h ILE 104 Ca 0.42 -0.56 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 1gg3 h ILE 104 Cb 0.59 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1gg3 h ILE 104 CO -0.37 0.19 -0.08 0.58 0.00 0.00 0.00 178.15 178.47 1gg3 h VAL 105 N 0.26 1.23 0.00 1.67 2.07 -0.69 -0.71 116.25 120.08 1gg3 h VAL 105 Ca 0.08 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1gg3 h VAL 105 Cb 0.20 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1gg3 h VAL 105 CO -0.01 0.33 0.00 0.00 0.02 0.00 0.00 177.57 177.91 1gg3 n ALA 106 N -2.48 2.21 -1.59 1.67 0.00 -0.37 -4.20 120.51 115.76 1gg3 n ALA 106 Ca 0.01 -0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.16 1gg3 n ALA 106 Cb 0.31 -1.27 -0.07 0.00 0.00 0.00 0.00 19.45 18.41 1gg3 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gg3 n GLY 107 N 0.21 1.61 1.06 0.00 0.00 -0.27 -4.78 105.19 103.02 1gg3 n GLY 107 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.25 1gg3 n GLY 107 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1gg3 n ARG 108 N -2.26 2.35 -3.01 1.61 0.63 -0.19 -4.30 116.66 111.48 1gg3 n ARG 108 Ca -0.19 -2.07 -0.16 0.00 -0.92 0.00 0.00 57.85 54.52 1gg3 n ARG 108 Cb 0.61 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 32.05 1gg3 n ARG 108 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1gg3 n LEU 109 N 1.21 -0.60 -4.64 6.15 0.00 -1.11 -4.88 117.00 113.13 1gg3 n LEU 109 Ca 0.20 -4.39 -0.38 0.00 0.00 0.00 0.00 56.01 51.43 1gg3 n LEU 109 Cb 0.51 0.78 0.05 0.00 0.00 0.00 0.00 43.42 44.76 1gg3 n LEU 109 CO 0.14 2.15 0.64 -0.81 0.00 0.00 0.00 177.39 179.51 1gg3 n PRO 110 N 0.70 1.04 -3.61 1.96 -0.04 -1.26 -4.68 135.00 129.11 1gg3 n PRO 110 Ca 0.17 0.40 -0.04 0.00 -0.04 0.00 0.00 63.50 63.99 1gg3 n PRO 110 Cb 0.64 -2.25 -0.03 0.00 -0.04 0.00 0.00 33.50 31.82 1gg3 n PRO 110 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gg3 n SER 112 N 0.25 2.07 -4.55 0.00 3.41 -1.26 -4.67 113.62 108.86 1gg3 n SER 112 Ca -0.01 1.15 -0.34 0.00 -0.26 0.00 0.00 58.87 59.41 1gg3 n SER 112 Cb 0.58 -1.42 -0.04 0.00 -0.26 0.00 0.00 64.21 63.08 1gg3 n SER 112 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1gg3 s PHE 113 N -1.15 1.54 0.00 7.33 5.99 -1.26 -0.53 117.98 129.90 1gg3 s PHE 113 Ca 0.59 1.00 0.00 0.00 0.00 0.00 0.00 56.93 58.52 1gg3 s PHE 113 Cb -0.58 -3.93 0.00 0.00 0.00 0.00 0.00 43.02 38.51 1gg3 s PHE 113 CO 0.60 -2.18 0.00 0.00 -0.00 0.00 0.00 175.22 173.64 1gg3 n ALA 114 N 14.09 0.00 0.20 11.12 0.00 -1.26 -4.82 120.51 139.84 1gg3 n ALA 114 Ca 0.30 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.77 1gg3 n ALA 114 Cb 0.51 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.38 1gg3 n ALA 114 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1gg3 h THR 115 N 0.00 1.21 -0.33 0.00 1.35 -1.67 0.42 112.91 113.88 1gg3 h THR 115 Ca 0.00 -0.98 -0.06 0.00 -0.55 0.00 0.00 66.41 64.82 1gg3 h THR 115 Cb 0.00 1.52 -0.02 0.00 -1.73 0.00 0.00 68.15 67.92 1gg3 h THR 115 CO 0.00 0.28 -0.05 0.25 -0.25 0.00 0.00 175.52 175.75 1gg3 h LEU 116 N 0.01 0.50 0.08 3.87 6.46 -1.08 -0.75 115.31 124.40 1gg3 h LEU 116 Ca -0.00 -0.11 -0.26 0.00 -0.12 0.00 0.00 57.88 57.39 1gg3 h LEU 116 Cb 0.50 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1gg3 h LEU 116 CO 0.04 0.60 -1.18 0.00 -0.62 0.00 0.00 178.44 177.28 1gg3 h ALA 117 N 1.46 0.16 0.95 1.25 0.00 -1.08 -2.86 119.26 119.13 1gg3 h ALA 117 Ca 0.10 -0.88 -0.05 0.00 0.00 0.00 0.00 54.91 54.09 1gg3 h ALA 117 Cb 0.40 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1gg3 h ALA 117 CO 0.02 1.01 -0.49 1.25 0.00 0.00 0.00 179.25 181.05 1gg3 h LEU 118 N 0.07 -1.18 -1.70 0.00 6.46 0.17 0.49 115.31 119.63 1gg3 h LEU 118 Ca -0.11 0.05 0.15 0.00 -0.12 0.00 0.00 57.88 57.86 1gg3 h LEU 118 Cb 1.91 0.32 -0.04 0.00 -0.73 0.00 0.00 40.66 42.11 1gg3 h LEU 118 CO 0.19 -0.80 0.48 -0.07 -0.62 0.00 0.00 178.44 177.61 1gg3 h LEU 119 N -1.31 0.28 0.06 2.25 3.38 -1.26 -0.14 115.31 118.56 1gg3 h LEU 119 Ca -0.13 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1gg3 h LEU 119 Cb 1.02 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1gg3 h LEU 119 CO 0.19 0.14 -0.03 1.23 0.09 0.00 0.00 178.44 180.07 1gg3 h GLY 120 N 0.30 -0.08 0.29 0.83 0.00 -1.15 0.21 103.07 103.48 1gg3 h GLY 120 Ca 0.34 0.03 0.10 0.00 0.00 0.00 0.00 47.33 47.80 1gg3 h GLY 120 CO -0.09 -0.03 0.13 1.48 0.00 0.00 0.00 176.54 178.04 1gg3 h SER 121 N -0.26 0.04 -0.31 0.19 4.64 0.87 0.40 113.55 119.12 1gg3 h SER 121 Ca -0.01 0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.34 1gg3 h SER 121 Cb 0.23 0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 1gg3 h SER 121 CO 0.01 0.04 -0.02 1.88 -0.87 0.00 0.00 176.83 177.87 1gg3 h TYR 122 N 0.28 0.72 -0.34 4.77 0.99 -1.09 -0.02 116.97 122.27 1gg3 h TYR 122 Ca 0.29 -0.10 -0.05 0.00 2.00 0.00 0.00 58.73 60.87 1gg3 h TYR 122 Cb 0.39 -0.20 -0.01 0.00 1.00 0.00 0.00 36.73 37.91 1gg3 h TYR 122 CO -0.22 0.69 0.03 1.15 -0.00 0.00 0.00 178.16 179.81 1gg3 h THR 123 N 0.63 1.25 -0.55 -2.88 2.02 0.16 -2.63 112.91 110.91 1gg3 h THR 123 Ca 0.13 -0.91 -0.06 0.00 0.77 0.00 0.00 66.41 66.34 1gg3 h THR 123 Cb 0.43 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 1gg3 h THR 123 CO 0.02 0.30 0.10 0.40 0.37 0.00 0.00 175.52 176.71 1gg3 h ILE 124 N 0.41 1.24 0.76 3.11 1.08 -0.08 -1.00 117.51 123.03 1gg3 h ILE 124 Ca 0.10 -0.89 -0.04 0.00 -0.39 0.00 0.00 64.86 63.64 1gg3 h ILE 124 Cb 0.41 0.71 0.01 0.00 -3.07 0.00 0.00 36.82 34.87 1gg3 h ILE 124 CO 0.01 0.33 -0.37 1.56 -0.69 0.00 0.00 178.15 178.99 1gg3 h GLN 125 N 0.82 -0.99 -0.40 2.37 1.08 -0.79 0.11 115.11 117.32 1gg3 h GLN 125 Ca 0.17 0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.45 1gg3 h GLN 125 Cb 0.35 0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 1gg3 h GLN 125 CO 0.00 -0.65 0.27 0.66 -0.95 0.00 0.00 178.83 178.16 1gg3 h SER 126 N -1.07 0.44 0.02 1.46 4.64 -1.41 0.51 113.55 118.14 1gg3 h SER 126 Ca -0.10 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1gg3 h SER 126 Cb 0.79 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1gg3 h SER 126 CO 0.17 0.31 -0.01 -0.33 -0.87 0.00 0.00 176.83 176.11 1gg3 h GLU 127 N 0.52 -0.03 0.00 4.77 4.39 -1.00 -3.39 114.58 119.84 1gg3 h GLU 127 Ca 0.15 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.71 1gg3 h GLU 127 Cb -0.01 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 1gg3 h GLU 127 CO -0.03 0.65 -1.63 1.28 -1.16 0.00 0.00 179.01 178.11 1gg3 n LEU 128 N -4.77 0.55 0.00 1.33 4.77 0.37 -5.09 117.00 114.17 1gg3 n LEU 128 Ca -0.09 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1gg3 n LEU 128 Cb 0.34 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1gg3 n LEU 128 CO 0.32 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1gg3 n GLY 129 N 1.40 -1.82 3.74 -0.72 0.00 0.18 -4.90 105.19 103.07 1gg3 n GLY 129 Ca -0.11 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 1gg3 n GLY 129 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gg3 n ASP 130 N 0.28 3.00 0.00 1.61 8.00 -1.26 -4.65 116.55 123.52 1gg3 n ASP 130 Ca 0.00 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.59 1gg3 n ASP 130 Cb 0.00 -1.57 0.00 0.00 -0.02 0.00 0.00 41.12 39.53 1gg3 n ASP 130 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gg3 n TYR 131 N -0.35 0.00 -1.88 1.24 9.36 -1.26 -4.99 117.16 119.27 1gg3 n TYR 131 Ca 0.06 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.28 1gg3 n TYR 131 Cb 0.41 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.12 1gg3 n TYR 131 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1gg3 n ASP 132 N -0.88 -7.82 -3.23 2.98 -0.08 -1.26 -4.40 116.55 101.86 1gg3 n ASP 132 Ca 0.00 1.33 -0.29 0.00 -1.51 0.00 0.00 54.79 54.32 1gg3 n ASP 132 Cb 0.00 -4.57 -0.02 0.00 2.34 0.00 0.00 41.12 38.87 1gg3 n ASP 132 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1gg3 n PRO 133 N 0.75 2.75 0.00 -0.67 -0.02 -1.26 -1.91 135.00 134.64 1gg3 n PRO 133 Ca 0.00 -1.76 0.00 0.00 -2.02 0.00 0.00 63.50 59.72 1gg3 n PRO 133 Cb 0.00 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 30.88 1gg3 n PRO 133 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1gg3 n GLU 134 N 3.96 1.96 -2.60 -0.52 0.28 -1.26 -4.51 120.64 117.95 1gg3 n GLU 134 Ca 0.59 -0.18 -0.41 0.00 -0.16 0.00 0.00 57.16 57.00 1gg3 n GLU 134 Cb 0.17 -0.60 0.02 0.00 1.43 0.00 0.00 31.44 32.46 1gg3 n GLU 134 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1gg3 n LEU 135 N -0.33 7.40 -4.08 -1.84 4.32 -0.80 -5.00 117.00 116.65 1gg3 n LEU 135 Ca 0.00 -5.34 -0.26 0.00 -0.02 0.00 0.00 56.01 50.38 1gg3 n LEU 135 Cb 0.04 -1.19 0.12 0.00 -1.62 0.00 0.00 43.42 40.77 1gg3 n LEU 135 CO 0.00 2.04 -0.69 1.41 -1.22 0.00 0.00 177.39 178.93 1gg3 n HIS 136 N 0.13 -1.68 -0.66 -1.77 8.25 -1.26 -4.67 115.22 113.55 1gg3 n HIS 136 Ca 0.48 0.25 0.01 0.00 -0.26 0.00 0.00 57.72 58.20 1gg3 n HIS 136 Cb 0.26 -1.44 -0.00 0.00 1.12 0.00 0.00 29.99 29.92 1gg3 n HIS 136 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gg3 n GLY 137 N 2.58 -0.21 1.56 -1.41 0.00 -1.26 -3.64 105.19 102.81 1gg3 n GLY 137 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1gg3 n GLY 137 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1gg3 n VAL 138 N -2.85 1.71 -2.16 1.61 0.24 -1.26 -3.58 118.33 112.04 1gg3 n VAL 138 Ca -0.00 -0.42 -0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1gg3 n VAL 138 Cb 0.04 -1.42 -0.01 0.00 -1.47 0.00 0.00 33.84 30.98 1gg3 n VAL 138 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1gg3 n ASP 139 N 1.55 0.13 0.05 -1.34 5.75 -1.26 -4.90 116.55 116.54 1gg3 n ASP 139 Ca 0.00 -1.82 0.10 0.00 -0.01 0.00 0.00 54.79 53.06 1gg3 n ASP 139 Cb 0.43 -0.10 0.42 0.00 -1.03 0.00 0.00 41.12 40.84 1gg3 n ASP 139 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gg3 n TYR 140 N 0.16 0.36 0.05 2.11 4.11 -1.23 -2.41 117.16 120.31 1gg3 n TYR 140 Ca -0.03 0.13 0.02 0.00 -0.00 0.00 0.00 57.90 58.02 1gg3 n TYR 140 Cb 0.81 -0.71 -0.06 0.00 -0.00 0.00 0.00 39.34 39.37 1gg3 n TYR 140 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1gg3 h VAL 141 N 0.00 0.42 -1.36 -3.48 2.07 -1.91 -3.39 116.25 108.59 1gg3 h VAL 141 Ca 0.00 -1.81 0.40 0.00 0.82 0.00 0.00 66.70 66.11 1gg3 h VAL 141 Cb 0.38 1.95 -0.05 0.00 -1.52 0.00 0.00 31.29 32.04 1gg3 h VAL 141 CO 0.00 0.24 1.03 0.77 0.02 0.00 0.00 177.57 179.63 1gg3 h SER 142 N 0.00 0.00 -0.38 0.57 4.64 -1.85 -1.06 113.55 115.47 1gg3 h SER 142 Ca -0.12 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.18 1gg3 h SER 142 Cb 1.46 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.54 1gg3 h SER 142 CO 0.04 0.00 0.02 0.47 -0.87 0.00 0.00 176.83 176.49 1gg3 n ASP 143 N -4.00 4.04 -4.16 4.97 9.92 -1.26 -4.84 116.55 121.23 1gg3 n ASP 143 Ca 0.30 -2.62 -0.29 0.00 -0.53 0.00 0.00 54.79 51.65 1gg3 n ASP 143 Cb 1.46 -0.63 -0.17 0.00 -0.64 0.00 0.00 41.12 41.15 1gg3 n ASP 143 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1gg3 s PHE 144 N -2.14 2.11 -0.38 1.24 0.40 -0.40 -5.08 117.98 113.73 1gg3 s PHE 144 Ca 0.35 -0.78 -0.26 0.00 -0.60 0.00 0.00 56.93 55.65 1gg3 s PHE 144 Cb 0.27 -1.43 0.02 0.00 0.51 0.00 0.00 43.02 42.38 1gg3 s PHE 144 CO 0.10 -0.31 0.93 0.15 0.70 0.00 0.00 175.22 176.78 1gg3 s LYS 145 N 0.31 3.81 -0.00 0.44 3.01 -1.26 -4.85 119.74 121.20 1gg3 s LYS 145 Ca -0.13 0.53 0.07 0.00 -1.01 0.00 0.00 55.97 55.43 1gg3 s LYS 145 Cb -0.16 -3.82 -0.09 0.00 -1.01 0.00 0.00 37.83 32.76 1gg3 s LYS 145 CO 0.06 -0.98 0.25 1.28 0.51 0.00 0.00 175.35 176.47 1gg3 n LEU 146 N 6.82 0.23 -3.71 3.17 4.77 -1.26 -4.96 117.00 122.06 1gg3 n LEU 146 Ca 0.07 -0.34 -0.11 0.00 -0.03 0.00 0.00 56.01 55.60 1gg3 n LEU 146 Cb 0.48 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 1gg3 n LEU 146 CO 0.59 0.06 0.08 0.00 -1.33 0.00 0.00 177.39 176.78 1gg3 s ALA 147 N -1.93 -0.77 0.27 -1.18 0.00 -1.26 -4.84 121.76 112.05 1gg3 s ALA 147 Ca 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 51.96 51.98 1gg3 s ALA 147 Cb 0.05 0.44 0.60 0.00 0.00 0.00 0.00 23.12 24.21 1gg3 s ALA 147 CO 0.29 -0.49 1.75 -1.00 0.00 0.00 0.00 175.76 176.31 1gg3 h PRO 148 N 2.90 0.59 0.00 0.00 0.13 -1.73 -3.31 132.00 130.58 1gg3 h PRO 148 Ca -0.32 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1gg3 h PRO 148 Cb 1.21 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1gg3 h PRO 148 CO 0.47 0.39 0.00 0.27 -0.23 0.00 0.00 178.00 178.90 1gg3 n ASN 149 N -4.88 0.00 0.00 1.44 6.94 -1.26 -5.05 115.26 112.45 1gg3 n ASN 149 Ca 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.75 1gg3 n ASN 149 Cb 0.49 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 1gg3 n ASN 149 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1gg3 n GLN 150 N -0.16 0.00 -3.46 -3.83 1.13 -1.25 -4.99 117.38 104.82 1gg3 n GLN 150 Ca 0.00 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.72 1gg3 n GLN 150 Cb 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.30 1gg3 n GLN 150 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1gg3 s THR 151 N -1.40 4.97 0.62 5.09 -4.23 -1.26 -4.96 115.64 114.46 1gg3 s THR 151 Ca 0.00 0.57 0.33 0.00 -1.18 0.00 0.00 61.69 61.41 1gg3 s THR 151 Cb 0.00 -3.67 0.38 0.00 1.34 0.00 0.00 72.50 70.55 1gg3 s THR 151 CO 0.00 0.15 2.22 0.11 -0.54 0.00 0.00 174.62 176.56 1gg3 h LYS 152 N 3.26 0.00 0.00 3.99 1.57 -2.00 0.87 116.57 124.27 1gg3 h LYS 152 Ca -0.48 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.26 1gg3 h LYS 152 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1gg3 h LYS 152 CO 0.67 0.00 -0.21 1.49 -0.57 0.00 0.00 179.45 180.84 1gg3 h GLU 153 N 0.00 0.00 0.01 3.15 4.22 -2.00 -1.60 114.58 118.36 1gg3 h GLU 153 Ca 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.45 1gg3 h GLU 153 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1gg3 h GLU 153 CO -0.00 0.21 -0.07 1.25 -2.18 0.00 0.00 179.01 178.21 1gg3 h LEU 154 N 0.00 0.05 -2.55 1.64 7.12 0.35 -3.26 115.31 118.65 1gg3 h LEU 154 Ca -0.00 -0.92 0.01 0.00 0.13 0.00 0.00 57.88 57.10 1gg3 h LEU 154 Cb 0.41 -0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 40.52 1gg3 h LEU 154 CO 0.03 0.97 0.11 -0.33 -0.13 0.00 0.00 178.44 179.08 1gg3 h GLU 155 N -0.86 0.00 0.19 1.25 5.08 -0.99 -2.28 114.58 116.96 1gg3 h GLU 155 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1gg3 h GLU 155 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1gg3 h GLU 155 CO 0.01 0.00 -0.09 0.93 -1.00 0.00 0.00 179.01 178.86 1gg3 h GLU 156 N 0.00 -0.24 -1.01 2.33 4.39 -1.34 -2.87 114.58 115.84 1gg3 h GLU 156 Ca 0.02 0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.85 1gg3 h GLU 156 Cb 0.23 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 28.86 1gg3 h GLU 156 CO -0.00 0.11 0.64 -0.22 -1.16 0.00 0.00 179.01 178.38 1gg3 h LYS 157 N -0.95 0.99 -0.52 2.33 1.63 -1.50 -1.23 116.57 117.32 1gg3 h LYS 157 Ca -0.03 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.68 1gg3 h LYS 157 Cb 0.46 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 1gg3 h LYS 157 CO 0.04 0.66 0.18 0.28 -3.45 0.00 0.00 179.45 177.16 1gg3 h VAL 158 N 1.02 1.20 -0.02 2.00 2.07 -1.49 -2.30 116.25 118.73 1gg3 h VAL 158 Ca 0.49 -0.66 -0.16 0.00 0.82 0.00 0.00 66.70 67.19 1gg3 h VAL 158 Cb 0.45 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1gg3 h VAL 158 CO -0.26 0.25 -0.72 0.24 0.02 0.00 0.00 177.57 177.11 1gg3 h MET 159 N 0.75 0.14 0.37 1.57 2.86 -1.00 -1.45 114.93 118.16 1gg3 h MET 159 Ca 0.18 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1gg3 h MET 159 Cb 0.19 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1gg3 h MET 159 CO -0.01 0.80 -0.18 1.49 1.06 0.00 0.00 176.91 180.07 1gg3 h GLU 160 N 0.09 -0.48 -0.61 1.72 4.81 -0.88 -0.61 114.58 118.61 1gg3 h GLU 160 Ca -0.02 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.36 1gg3 h GLU 160 Cb 1.27 0.11 -0.12 0.00 0.63 0.00 0.00 28.75 30.65 1gg3 h GLU 160 CO 0.10 -0.32 -0.24 -0.07 -0.73 0.00 0.00 179.01 177.75 1gg3 h LEU 161 N -0.50 -0.86 -0.86 1.64 3.38 -1.50 -0.95 115.31 115.66 1gg3 h LEU 161 Ca -0.05 0.21 0.09 0.00 0.09 0.00 0.00 57.88 58.22 1gg3 h LEU 161 Cb 0.38 0.48 -0.07 0.00 0.09 0.00 0.00 40.66 41.54 1gg3 h LEU 161 CO 0.08 -0.26 0.51 -0.74 0.09 0.00 0.00 178.44 178.13 1gg3 h HIS 162 N -0.08 0.94 -0.02 1.13 2.76 -1.20 0.33 115.15 119.01 1gg3 h HIS 162 Ca 0.27 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.42 1gg3 h HIS 162 Cb 0.52 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 1gg3 h HIS 162 CO -0.57 0.41 -0.23 0.87 -1.30 0.00 0.00 177.93 177.11 1gg3 h LYS 163 N 0.88 0.03 -0.19 5.26 1.57 0.22 -2.71 116.57 121.63 1gg3 h LYS 163 Ca 0.41 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.14 1gg3 h LYS 163 Cb 0.33 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1gg3 h LYS 163 CO -0.23 0.26 -0.02 1.03 -0.57 0.00 0.00 179.45 179.91 1gg3 h SER 164 N 0.02 0.35 -4.05 0.86 0.87 -0.18 -3.44 113.55 108.00 1gg3 h SER 164 Ca 0.00 -0.34 -0.55 0.00 -1.23 0.00 0.00 61.79 59.68 1gg3 h SER 164 Cb 0.42 -0.10 0.13 0.00 -0.44 0.00 0.00 62.40 62.42 1gg3 h SER 164 CO 0.03 0.61 0.60 -0.31 -0.53 0.00 0.00 176.83 177.23 1gg3 s TYR 165 N -4.86 2.33 -0.29 2.24 4.12 -0.78 -5.01 117.35 115.10 1gg3 s TYR 165 Ca -0.14 1.39 -0.15 0.00 0.02 0.00 0.00 57.07 58.19 1gg3 s TYR 165 Cb 0.06 -3.77 0.13 0.00 -1.52 0.00 0.00 41.96 36.86 1gg3 s TYR 165 CO 0.74 -2.80 0.86 1.03 0.02 0.00 0.00 175.55 175.40 1gg3 s ARG 166 N -2.89 0.48 0.00 -0.62 1.81 -1.26 -4.64 118.95 111.82 1gg3 s ARG 166 Ca 0.71 0.93 0.00 0.00 -1.72 0.00 0.00 55.73 55.65 1gg3 s ARG 166 Cb -0.39 0.26 0.00 0.00 -0.45 0.00 0.00 34.95 34.36 1gg3 s ARG 166 CO 0.47 -0.12 0.00 0.45 -0.68 0.00 0.00 175.30 175.42 1gg3 n SER 167 N 4.31 0.00 -4.73 0.23 2.88 -1.26 -4.99 113.62 110.05 1gg3 n SER 167 Ca -0.17 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 56.96 1gg3 n SER 167 Cb 0.56 -0.04 -0.03 0.00 -0.75 0.00 0.00 64.21 63.95 1gg3 n SER 167 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1gg3 s MET 168 N -0.01 4.33 0.46 -1.46 0.00 -1.26 -5.00 119.30 116.35 1gg3 s MET 168 Ca 0.00 2.12 -0.04 0.00 0.00 0.00 0.00 55.69 57.77 1gg3 s MET 168 Cb 0.00 -3.20 -0.03 0.00 0.00 0.00 0.00 34.83 31.60 1gg3 s MET 168 CO 0.00 -0.37 0.74 0.95 0.00 0.00 0.00 175.02 176.34 1gg3 s THR 169 N 0.52 4.85 0.14 10.11 -4.23 -1.26 -4.79 115.64 120.98 1gg3 s THR 169 Ca 0.61 0.04 -0.29 0.00 -1.18 0.00 0.00 61.69 60.87 1gg3 s THR 169 Cb -0.38 -3.83 -0.05 0.00 1.34 0.00 0.00 72.50 69.58 1gg3 s THR 169 CO 0.36 -0.76 1.58 -0.65 -0.54 0.00 0.00 174.62 174.60 1gg3 h PRO 170 N 0.30 -0.43 -0.89 3.99 0.11 -1.88 0.35 132.00 133.56 1gg3 h PRO 170 Ca -0.47 0.03 0.19 0.00 0.11 0.00 0.00 66.00 65.85 1gg3 h PRO 170 Cb 1.21 0.10 -0.11 0.00 0.11 0.00 0.00 31.00 32.31 1gg3 h PRO 170 CO 0.61 -0.29 0.44 0.00 -0.21 0.00 0.00 178.00 178.56 1gg3 h ALA 171 N 0.17 1.41 0.41 -0.75 0.00 -1.97 0.48 119.26 119.01 1gg3 h ALA 171 Ca 0.09 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1gg3 h ALA 171 Cb 0.62 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1gg3 h ALA 171 CO -0.47 -0.20 -0.20 1.96 0.00 0.00 0.00 179.25 180.35 1gg3 h GLN 172 N 0.54 -0.53 -0.51 0.00 4.20 -1.47 -0.96 115.11 116.39 1gg3 h GLN 172 Ca 0.52 0.04 0.09 0.00 0.06 0.00 0.00 58.65 59.36 1gg3 h GLN 172 Cb 0.88 0.12 -0.10 0.00 0.30 0.00 0.00 27.48 28.67 1gg3 h GLN 172 CO -0.44 -0.29 -0.36 0.00 -0.67 0.00 0.00 178.83 177.07 1gg3 h ALA 173 N -0.11 -0.19 -0.84 3.87 0.00 0.22 0.87 119.26 123.08 1gg3 h ALA 173 Ca -0.06 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1gg3 h ALA 173 Cb 0.48 0.81 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1gg3 h ALA 173 CO 0.09 -0.74 0.54 -0.44 0.00 0.00 0.00 179.25 178.70 1gg3 h ASP 174 N -0.22 0.98 -0.51 0.00 3.32 -0.10 0.31 116.42 120.20 1gg3 h ASP 174 Ca 0.19 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1gg3 h ASP 174 Cb 0.56 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1gg3 h ASP 174 CO -0.63 0.73 0.15 0.25 -1.72 0.00 0.00 179.24 178.03 1gg3 h LEU 175 N 1.15 0.74 -0.32 1.55 5.85 0.39 0.51 115.31 125.18 1gg3 h LEU 175 Ca 0.31 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1gg3 h LEU 175 Cb -0.10 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 1gg3 h LEU 175 CO -0.06 0.75 0.13 -0.33 -0.34 0.00 0.00 178.44 178.59 1gg3 h GLU 176 N 0.69 0.48 -0.30 1.25 4.39 -0.18 0.23 114.58 121.15 1gg3 h GLU 176 Ca 0.16 -0.09 0.07 0.00 0.34 0.00 0.00 59.36 59.84 1gg3 h GLU 176 Cb 0.28 -0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 28.78 1gg3 h GLU 176 CO -0.00 0.48 -0.29 0.35 -1.16 0.00 0.00 179.01 178.39 1gg3 h PHE 177 N 0.36 -0.79 -0.13 4.33 3.04 -0.67 -1.80 116.94 121.29 1gg3 h PHE 177 Ca 0.11 0.05 0.01 0.00 3.98 0.00 0.00 57.97 62.11 1gg3 h PHE 177 Cb 0.19 0.39 -0.01 0.00 2.56 0.00 0.00 35.95 39.08 1gg3 h PHE 177 CO -0.00 -0.36 0.06 -0.07 -2.02 0.00 0.00 178.31 175.91 1gg3 h LEU 178 N -0.27 0.09 -1.13 0.59 3.38 -0.42 0.29 115.31 117.82 1gg3 h LEU 178 Ca 0.15 0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.30 1gg3 h LEU 178 Cb 0.51 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.16 1gg3 h LEU 178 CO -0.45 0.07 0.61 -0.33 0.09 0.00 0.00 178.44 178.43 1gg3 h GLU 179 N 0.13 0.72 -0.01 1.13 4.39 0.02 0.25 114.58 121.21 1gg3 h GLU 179 Ca 0.05 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1gg3 h GLU 179 Cb 0.01 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 1gg3 h GLU 179 CO -0.04 0.48 -0.10 -0.91 -1.16 0.00 0.00 179.01 177.28 1gg3 h ASN 180 N 0.74 0.10 -0.87 1.42 2.35 -0.77 -3.33 115.58 115.23 1gg3 h ASN 180 Ca 0.53 -0.71 -0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1gg3 h ASN 180 Cb 0.84 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 39.13 1gg3 h ASN 180 CO -0.30 0.80 0.54 0.00 -1.65 0.00 0.00 177.43 176.82 1gg3 h ALA 181 N 0.30 1.11 -0.91 -0.83 0.00 0.50 -2.60 119.26 116.84 1gg3 h ALA 181 Ca -0.01 -0.09 0.22 0.00 0.00 0.00 0.00 54.91 55.04 1gg3 h ALA 181 Cb 0.81 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1gg3 h ALA 181 CO 0.02 0.56 0.62 -0.22 0.00 0.00 0.00 179.25 180.22 1gg3 h LYS 182 N 1.20 0.29 0.00 0.00 3.11 -0.67 -1.18 116.57 119.31 1gg3 h LYS 182 Ca 0.32 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.14 1gg3 h LYS 182 Cb -0.07 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.09 1gg3 h LYS 182 CO -0.06 0.19 0.00 0.87 -2.81 0.00 0.00 179.45 177.64 1gg3 h LYS 183 N 0.29 0.00 -6.90 1.90 1.57 -1.57 -3.47 116.57 108.40 1gg3 h LYS 183 Ca 0.47 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.73 1gg3 h LYS 183 Cb 1.35 0.00 0.07 0.00 0.08 0.00 0.00 32.23 33.73 1gg3 h LYS 183 CO -0.14 0.00 0.61 -0.51 -0.57 0.00 0.00 179.45 178.84 1gg3 s LEU 184 N -5.37 4.35 1.03 2.94 1.43 -0.45 -5.00 118.68 117.60 1gg3 s LEU 184 Ca 0.07 2.63 -0.13 0.00 -1.03 0.00 0.00 54.13 55.67 1gg3 s LEU 184 Cb 0.09 -3.76 0.20 0.00 0.03 0.00 0.00 46.19 42.75 1gg3 s LEU 184 CO 0.58 -0.63 1.10 -0.94 0.23 0.00 0.00 176.35 176.70 1gg3 s SER 185 N -0.64 2.38 0.00 2.29 1.04 -1.26 -2.54 113.70 114.98 1gg3 s SER 185 Ca 0.52 1.07 0.00 0.00 0.48 0.00 0.00 55.95 58.02 1gg3 s SER 185 Cb -0.38 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 64.07 1gg3 s SER 185 CO 0.50 -3.27 0.00 0.23 0.98 0.00 0.00 173.24 171.68 1gg3 n MET 186 N -4.25 0.00 -1.67 4.02 2.00 -1.26 -4.93 117.12 111.03 1gg3 n MET 186 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.33 1gg3 n MET 186 Cb 0.58 -2.66 -0.03 0.00 0.00 0.00 0.00 33.22 31.11 1gg3 n MET 186 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 1gg3 n TYR 187 N -1.72 2.52 -1.00 2.03 4.19 -1.05 -1.57 117.16 120.56 1gg3 n TYR 187 Ca 0.00 -0.28 0.00 0.00 3.31 0.00 0.00 57.90 60.93 1gg3 n TYR 187 Cb 0.00 -2.77 0.00 0.00 0.49 0.00 0.00 39.34 37.06 1gg3 n TYR 187 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1gg3 n GLY 188 N 4.45 0.28 3.60 2.98 0.00 -1.26 -4.91 105.19 110.33 1gg3 n GLY 188 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1gg3 n GLY 188 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gg3 s VAL 189 N -1.56 4.60 -0.52 1.61 1.01 -0.61 -4.42 120.40 120.51 1gg3 s VAL 189 Ca 0.00 1.07 -0.20 0.00 0.00 0.00 0.00 61.98 62.85 1gg3 s VAL 189 Cb 0.00 -4.32 0.06 0.00 0.00 0.00 0.00 36.38 32.12 1gg3 s VAL 189 CO 0.00 -0.55 0.71 -0.62 0.00 0.00 0.00 175.10 174.64 1gg3 s ASP 190 N 1.92 6.25 0.31 3.32 2.15 0.59 -4.81 116.67 126.39 1gg3 s ASP 190 Ca 0.36 -0.82 -0.24 0.00 0.43 0.00 0.00 52.55 52.29 1gg3 s ASP 190 Cb -0.12 -2.33 -0.10 0.00 -0.30 0.00 0.00 42.92 40.08 1gg3 s ASP 190 CO 0.19 -0.99 0.89 -0.76 -0.17 0.00 0.00 175.17 174.33 1gg3 s LEU 191 N 2.96 4.29 -0.02 -1.34 1.43 -1.26 -0.98 118.68 123.76 1gg3 s LEU 191 Ca 0.18 1.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 1gg3 s LEU 191 Cb -0.18 -3.97 0.03 0.00 0.03 0.00 0.00 46.19 42.10 1gg3 s LEU 191 CO 0.13 -0.08 0.02 -1.00 0.23 0.00 0.00 176.35 175.66 1gg3 s HIS 192 N -1.66 0.04 0.36 0.29 3.76 0.21 -4.99 115.29 113.30 1gg3 s HIS 192 Ca 0.50 0.11 -0.25 0.00 -0.15 0.00 0.00 55.06 55.27 1gg3 s HIS 192 Cb -0.17 -0.21 -0.10 0.00 1.11 0.00 0.00 32.58 33.21 1gg3 s HIS 192 CO 0.22 -0.08 0.96 0.15 -0.85 0.00 0.00 174.74 175.14 1gg3 s LYS 193 N 0.92 4.44 0.09 1.40 1.02 -1.26 0.43 119.74 126.78 1gg3 s LYS 193 Ca -0.08 1.30 -0.08 0.00 0.02 0.00 0.00 55.97 57.13 1gg3 s LYS 193 Cb -0.11 -2.61 0.03 0.00 -0.52 0.00 0.00 37.83 34.62 1gg3 s LYS 193 CO -0.03 0.15 0.39 0.00 -0.92 0.00 0.00 175.35 174.94 1gg3 n ALA 194 N 0.17 -0.98 -2.92 5.17 0.00 -0.83 -4.73 120.51 116.41 1gg3 n ALA 194 Ca 0.04 -0.42 -0.12 0.00 0.00 0.00 0.00 53.44 52.93 1gg3 n ALA 194 Cb 0.51 0.26 -0.13 0.00 0.00 0.00 0.00 19.45 20.09 1gg3 n ALA 194 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1gg3 s LYS 195 N -2.02 0.08 0.93 0.00 1.02 -0.47 0.27 119.74 119.55 1gg3 s LYS 195 Ca 0.08 -0.05 -0.12 0.00 0.02 0.00 0.00 55.97 55.90 1gg3 s LYS 195 Cb -0.01 0.03 0.15 0.00 -0.52 0.00 0.00 37.83 37.48 1gg3 s LYS 195 CO 0.03 -0.01 1.12 0.16 -0.92 0.00 0.00 175.35 175.73 1gg3 s ASP 196 N -0.20 3.30 0.41 2.83 1.47 -0.05 0.56 116.67 124.99 1gg3 s ASP 196 Ca -0.02 1.04 0.16 0.00 1.18 0.00 0.00 52.55 54.91 1gg3 s ASP 196 Cb -0.02 -1.65 1.04 0.00 -0.34 0.00 0.00 42.92 41.96 1gg3 s ASP 196 CO -0.00 -2.69 1.87 -0.07 0.68 0.00 0.00 175.17 174.96 1gg3 h LEU 197 N -1.59 0.44 -0.61 2.11 3.38 -1.91 0.35 115.31 117.48 1gg3 h LEU 197 Ca -0.51 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1gg3 h LEU 197 Cb 1.33 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1gg3 h LEU 197 CO 0.61 0.19 0.00 1.21 0.09 0.00 0.00 178.44 180.54 1gg3 n GLU 198 N -4.51 0.78 -0.93 1.13 2.13 -1.26 -4.81 120.64 113.15 1gg3 n GLU 198 Ca 0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.00 1gg3 n GLU 198 Cb 0.63 -1.24 0.00 0.00 0.27 0.00 0.00 31.44 31.11 1gg3 n GLU 198 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1gg3 n GLY 199 N 0.18 0.26 3.76 8.31 0.00 0.12 -4.99 105.19 112.83 1gg3 n GLY 199 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1gg3 n GLY 199 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gg3 s VAL 200 N -1.62 3.64 -0.48 1.61 1.01 -1.23 -4.77 120.40 118.56 1gg3 s VAL 200 Ca 0.00 1.53 -0.28 0.00 0.00 0.00 0.00 61.98 63.23 1gg3 s VAL 200 Cb 0.00 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1gg3 s VAL 200 CO 0.00 0.27 1.51 -1.81 0.00 0.00 0.00 175.10 175.07 1gg3 s ASP 201 N -1.13 6.10 0.41 3.32 1.01 -1.26 -0.87 116.67 124.24 1gg3 s ASP 201 Ca 0.48 0.64 0.02 0.00 0.71 0.00 0.00 52.55 54.40 1gg3 s ASP 201 Cb -0.28 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.13 1gg3 s ASP 201 CO 0.36 -1.66 0.13 2.30 0.21 0.00 0.00 175.17 176.51 1gg3 n ILE 202 N 7.06 0.00 -3.75 0.77 -5.35 0.14 -4.60 119.36 113.63 1gg3 n ILE 202 Ca 0.16 -1.81 -0.18 0.00 -0.27 0.00 0.00 62.75 60.65 1gg3 n ILE 202 Cb 0.49 0.17 -0.17 0.00 -1.74 0.00 0.00 39.64 38.38 1gg3 n ILE 202 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1gg3 s ILE 203 N -2.31 -0.01 -0.19 7.28 1.01 0.20 -1.95 121.20 125.22 1gg3 s ILE 203 Ca 0.10 0.29 -0.12 0.00 0.00 0.00 0.00 60.65 60.92 1gg3 s ILE 203 Cb -0.01 -0.18 -0.05 0.00 0.01 0.00 0.00 42.46 42.23 1gg3 s ILE 203 CO 0.06 0.16 0.21 -0.76 0.00 0.00 0.00 174.94 174.61 1gg3 s LEU 204 N 1.66 4.20 -0.07 2.97 1.43 0.17 0.03 118.68 129.07 1gg3 s LEU 204 Ca -0.01 0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 1gg3 s LEU 204 Cb -0.13 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.85 1gg3 s LEU 204 CO -0.03 0.11 -0.12 -0.83 0.23 0.00 0.00 176.35 175.71 1gg3 s GLY 205 N 0.57 1.58 -0.15 -3.19 0.00 0.27 0.67 107.32 107.06 1gg3 s GLY 205 Ca 0.11 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 43.90 1gg3 s GLY 205 CO 0.02 -0.65 -0.16 0.14 0.00 0.00 0.00 173.10 172.45 1gg3 s VAL 206 N -0.58 1.74 0.00 1.40 1.01 -0.15 0.17 120.40 123.99 1gg3 s VAL 206 Ca 0.08 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1gg3 s VAL 206 Cb -0.11 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.66 1gg3 s VAL 206 CO 0.01 0.49 0.00 0.00 0.00 0.00 0.00 175.10 175.60 1gg3 h SER 208 N 0.00 0.90 0.00 0.00 4.64 -1.86 -2.92 113.55 114.30 1gg3 h SER 208 Ca 0.00 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1gg3 h SER 208 Cb 0.00 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.84 1gg3 h SER 208 CO 0.00 1.13 0.18 -1.20 -0.87 0.00 0.00 176.83 176.07 1gg3 n SER 209 N -4.19 0.39 0.00 4.97 7.64 -1.26 -4.70 113.62 116.47 1gg3 n SER 209 Ca -0.02 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1gg3 n SER 209 Cb 0.46 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1gg3 n SER 209 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gg3 n GLY 210 N -1.29 0.56 3.68 0.23 0.00 -1.10 -4.09 105.19 103.17 1gg3 n GLY 210 Ca -0.01 -2.25 -0.40 0.00 0.00 0.00 0.00 46.02 43.36 1gg3 n GLY 210 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1gg3 s LEU 211 N 0.00 4.20 -0.05 0.99 0.20 -0.43 -3.02 118.68 120.56 1gg3 s LEU 211 Ca 0.00 0.93 0.02 0.00 0.69 0.00 0.00 54.13 55.78 1gg3 s LEU 211 Cb 0.00 -2.94 -0.03 0.00 -0.43 0.00 0.00 46.19 42.79 1gg3 s LEU 211 CO 0.00 -0.22 -0.10 -0.76 -0.29 0.00 0.00 176.35 174.97 1gg3 s LEU 212 N 1.57 2.96 -0.01 -0.68 1.43 0.13 -0.75 118.68 123.32 1gg3 s LEU 212 Ca 0.31 -0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1gg3 s LEU 212 Cb -0.16 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 1gg3 s LEU 212 CO 0.12 0.35 -0.02 -0.69 0.23 0.00 0.00 176.35 176.33 1gg3 s VAL 213 N -0.79 3.99 0.01 -1.59 1.01 -0.05 0.95 120.40 123.93 1gg3 s VAL 213 Ca 0.12 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1gg3 s VAL 213 Cb -0.11 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 1gg3 s VAL 213 CO 0.02 0.42 -0.03 -0.31 0.00 0.00 0.00 175.10 175.20 1gg3 s TYR 214 N -1.02 0.23 -0.20 5.22 2.02 0.10 -0.79 117.35 122.92 1gg3 s TYR 214 Ca 0.18 -0.18 -0.04 0.00 -0.37 0.00 0.00 57.07 56.66 1gg3 s TYR 214 Cb -0.11 -0.15 0.07 0.00 -0.40 0.00 0.00 41.96 41.37 1gg3 s TYR 214 CO 0.08 -0.05 0.08 0.21 -1.57 0.00 0.00 175.55 174.30 1gg3 s LYS 215 N -0.48 0.26 0.00 -0.62 2.20 -1.26 0.58 119.74 120.42 1gg3 s LYS 215 Ca -0.04 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 1gg3 s LYS 215 Cb -0.03 -1.82 0.00 0.00 -1.51 0.00 0.00 37.83 34.47 1gg3 s LYS 215 CO -0.00 -0.72 0.00 -0.25 -0.36 0.00 0.00 175.35 174.02 1gg3 n ASP 216 N 5.20 0.00 -3.31 1.43 8.00 -1.26 -4.66 116.55 121.94 1gg3 n ASP 216 Ca -0.07 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.32 1gg3 n ASP 216 Cb 0.47 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.56 1gg3 n ASP 216 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1gg3 s LYS 217 N 0.00 1.96 0.33 -1.24 -0.14 -1.26 -5.10 119.74 114.30 1gg3 s LYS 217 Ca 0.00 -1.49 0.00 0.00 -1.36 0.00 0.00 55.97 53.12 1gg3 s LYS 217 Cb 0.00 0.53 0.00 0.00 -1.68 0.00 0.00 37.83 36.68 1gg3 s LYS 217 CO 0.00 -0.86 0.00 1.28 -0.76 0.00 0.00 175.35 175.01 1gg3 n LEU 218 N -0.51 -6.21 -4.63 3.17 7.99 -1.26 -4.86 117.00 110.69 1gg3 n LEU 218 Ca -0.03 3.29 -0.45 0.00 -0.01 0.00 0.00 56.01 58.81 1gg3 n LEU 218 Cb 0.61 -3.21 -0.02 0.00 -0.11 0.00 0.00 43.42 40.68 1gg3 n LEU 218 CO 0.26 -0.93 0.76 0.54 -1.51 0.00 0.00 177.39 176.51 1gg3 n ARG 219 N 0.92 1.65 -0.01 3.23 1.74 -1.26 -4.22 116.66 118.71 1gg3 n ARG 219 Ca 0.00 0.58 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 1gg3 n ARG 219 Cb 0.00 -2.08 -0.03 0.00 -1.02 0.00 0.00 32.46 29.33 1gg3 n ARG 219 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1gg3 n ILE 220 N 0.76 0.14 -3.64 0.55 5.41 0.03 -4.99 119.36 117.62 1gg3 n ILE 220 Ca 0.09 -0.14 -0.15 0.00 1.00 0.00 0.00 62.75 63.55 1gg3 n ILE 220 Cb 0.32 -0.21 -0.07 0.00 -0.71 0.00 0.00 39.64 38.96 1gg3 n ILE 220 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1gg3 s ASN 221 N -3.00 -0.48 -0.33 4.38 0.01 -1.22 -4.93 114.94 109.37 1gg3 s ASN 221 Ca -0.02 0.58 -0.01 0.00 -0.71 0.00 0.00 52.86 52.70 1gg3 s ASN 221 Cb 0.02 0.58 0.13 0.00 0.41 0.00 0.00 41.25 42.39 1gg3 s ASN 221 CO 0.18 -0.47 0.20 -0.60 -1.51 0.00 0.00 177.10 174.90 1gg3 s ARG 222 N -0.95 0.43 -0.70 -0.60 3.52 -1.26 -0.87 118.95 118.52 1gg3 s ARG 222 Ca -0.10 -0.97 -0.22 0.00 -0.13 0.00 0.00 55.73 54.31 1gg3 s ARG 222 Cb -0.03 -1.17 0.08 0.00 -1.56 0.00 0.00 34.95 32.27 1gg3 s ARG 222 CO 0.06 -1.14 1.00 -0.06 -0.81 0.00 0.00 175.30 174.35 1gg3 s PHE 223 N 1.50 2.72 0.08 5.12 0.40 0.07 -4.90 117.98 122.97 1gg3 s PHE 223 Ca 0.15 -0.65 -0.31 0.00 -0.60 0.00 0.00 56.93 55.52 1gg3 s PHE 223 Cb -0.20 -4.30 -0.10 0.00 0.51 0.00 0.00 43.02 38.93 1gg3 s PHE 223 CO -0.13 -1.64 1.90 -2.14 0.70 0.00 0.00 175.22 173.91 1gg3 s PRO 224 N 3.94 4.14 0.30 0.24 0.02 -1.26 -1.32 135.00 141.06 1gg3 s PRO 224 Ca 0.24 2.61 0.03 0.00 0.02 0.00 0.00 61.00 63.90 1gg3 s PRO 224 Cb -0.15 -3.86 0.76 0.00 0.02 0.00 0.00 34.50 31.27 1gg3 s PRO 224 CO 0.08 -0.90 1.51 0.91 -0.33 0.00 0.00 177.00 178.27 1gg3 n TRP 225 N 6.55 0.64 -0.18 6.54 5.03 -1.26 -0.07 117.44 134.70 1gg3 n TRP 225 Ca 0.19 1.16 0.15 0.00 3.03 0.00 0.00 57.50 62.02 1gg3 n TRP 225 Cb 0.39 -1.24 0.48 0.00 -1.03 0.00 0.00 31.31 29.92 1gg3 n TRP 225 CO 0.00 0.00 0.00 -1.35 -0.03 0.00 0.00 177.69 176.31 1gg3 h PRO 226 N 0.00 0.45 -0.84 -0.99 0.11 -1.82 -1.17 132.00 127.74 1gg3 h PRO 226 Ca 0.60 -0.03 -0.35 0.00 0.11 0.00 0.00 66.00 66.32 1gg3 h PRO 226 Cb 1.25 -0.10 -0.21 0.00 0.11 0.00 0.00 31.00 32.05 1gg3 h PRO 226 CO -0.90 0.30 0.43 0.36 -0.21 0.00 0.00 178.00 177.98 1gg3 n LYS 227 N -4.49 2.94 -3.70 1.05 2.85 0.91 -4.86 118.16 112.86 1gg3 n LYS 227 Ca 0.15 -3.06 -0.38 0.00 -1.05 0.00 0.00 58.31 53.97 1gg3 n LYS 227 Cb 0.51 -2.18 -0.12 0.00 -0.65 0.00 0.00 35.03 32.59 1gg3 n LYS 227 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1gg3 s VAL 228 N -3.15 4.30 -0.07 0.58 1.01 -0.44 -0.03 120.40 122.58 1gg3 s VAL 228 Ca 0.55 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 61.76 1gg3 s VAL 228 Cb 0.46 -3.22 -0.30 0.00 0.00 0.00 0.00 36.38 33.32 1gg3 s VAL 228 CO 0.12 0.05 0.76 -0.07 0.00 0.00 0.00 175.10 175.96 1gg3 h LEU 229 N 8.30 0.43 -7.46 3.92 3.38 0.76 -3.48 115.31 121.15 1gg3 h LEU 229 Ca -0.31 -0.91 -0.10 0.00 0.09 0.00 0.00 57.88 56.64 1gg3 h LEU 229 Cb 1.13 -0.14 -0.19 0.00 0.09 0.00 0.00 40.66 41.55 1gg3 h LEU 229 CO 0.61 1.48 -0.21 -0.75 0.09 0.00 0.00 178.44 179.66 1gg3 s LYS 230 N -2.45 0.75 -0.01 1.13 2.20 -1.12 -4.97 119.74 115.28 1gg3 s LYS 230 Ca -0.16 -0.22 0.03 0.00 -0.36 0.00 0.00 55.97 55.25 1gg3 s LYS 230 Cb 0.02 0.33 -0.00 0.00 -1.51 0.00 0.00 37.83 36.67 1gg3 s LYS 230 CO 0.80 -0.22 -0.09 0.42 -0.36 0.00 0.00 175.35 175.90 1gg3 s ILE 231 N -1.64 0.76 0.10 5.43 1.01 -1.26 0.57 121.20 126.17 1gg3 s ILE 231 Ca -0.11 -0.39 -0.26 0.00 0.00 0.00 0.00 60.65 59.88 1gg3 s ILE 231 Cb -0.04 -0.65 0.08 0.00 0.01 0.00 0.00 42.46 41.86 1gg3 s ILE 231 CO 0.03 0.22 0.91 -0.94 0.00 0.00 0.00 174.94 175.17 1gg3 s SER 232 N -0.10 -0.26 0.03 3.58 1.04 0.36 -4.97 113.70 113.38 1gg3 s SER 232 Ca 0.02 -0.24 -0.03 0.00 0.48 0.00 0.00 55.95 56.17 1gg3 s SER 232 Cb -0.05 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.51 1gg3 s SER 232 CO -0.00 -0.81 0.04 -0.72 0.98 0.00 0.00 173.24 172.72 1gg3 s TYR 233 N -3.26 0.25 -0.15 5.02 1.13 -1.26 0.11 117.35 119.19 1gg3 s TYR 233 Ca 0.09 -0.54 -0.04 0.00 -1.41 0.00 0.00 57.07 55.17 1gg3 s TYR 233 Cb -0.01 -0.18 0.07 0.00 -1.10 0.00 0.00 41.96 40.74 1gg3 s TYR 233 CO -0.02 -0.29 0.25 0.21 -2.51 0.00 0.00 175.55 173.19 1gg3 s LYS 234 N -2.16 0.16 4.86 -3.49 2.20 -0.57 -5.00 119.74 115.74 1gg3 s LYS 234 Ca -0.09 0.59 0.00 0.00 -0.36 0.00 0.00 55.97 56.11 1gg3 s LYS 234 Cb -0.04 -0.37 0.00 0.00 -1.51 0.00 0.00 37.83 35.91 1gg3 s LYS 234 CO -0.03 -0.40 0.00 0.54 -0.36 0.00 0.00 175.35 175.10 1gg3 n ARG 235 N 5.34 0.00 -0.23 4.03 5.12 -1.26 -0.99 116.66 128.67 1gg3 n ARG 235 Ca -0.06 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.85 1gg3 n ARG 235 Cb 0.50 0.00 0.07 0.00 -1.16 0.00 0.00 32.46 31.87 1gg3 n ARG 235 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1gg3 n SER 236 N -0.88 2.51 -4.66 0.55 3.41 -1.26 -4.15 113.62 109.13 1gg3 n SER 236 Ca 0.00 -2.27 -0.35 0.00 -0.26 0.00 0.00 58.87 56.00 1gg3 n SER 236 Cb 0.00 -0.56 -0.09 0.00 -0.26 0.00 0.00 64.21 63.30 1gg3 n SER 236 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1gg3 s SER 237 N 0.11 5.71 -0.15 4.04 0.01 -0.17 -0.49 113.70 122.76 1gg3 s SER 237 Ca 0.12 0.13 -0.01 0.00 1.31 0.00 0.00 55.95 57.50 1gg3 s SER 237 Cb 0.10 -1.95 -0.01 0.00 0.21 0.00 0.00 66.02 64.37 1gg3 s SER 237 CO 0.03 0.21 -0.12 0.12 0.41 0.00 0.00 173.24 173.89 1gg3 s PHE 238 N 0.16 2.83 -0.04 2.43 5.36 -0.59 -1.51 117.98 126.62 1gg3 s PHE 238 Ca 0.05 -0.77 0.02 0.00 -0.96 0.00 0.00 56.93 55.27 1gg3 s PHE 238 Cb -0.12 -1.89 0.01 0.00 -0.34 0.00 0.00 43.02 40.67 1gg3 s PHE 238 CO 0.00 -0.31 -0.10 -0.06 -1.46 0.00 0.00 175.22 173.29 1gg3 s PHE 239 N 0.61 1.15 0.05 10.12 0.40 0.31 -2.04 117.98 128.57 1gg3 s PHE 239 Ca -0.07 -0.34 0.05 0.00 -0.60 0.00 0.00 56.93 55.97 1gg3 s PHE 239 Cb -0.15 -0.84 -0.02 0.00 0.51 0.00 0.00 43.02 42.51 1gg3 s PHE 239 CO 0.03 -0.16 -0.15 0.96 0.70 0.00 0.00 175.22 176.59 1gg3 s ILE 240 N 0.38 1.23 -0.26 0.64 -4.36 -0.90 0.14 121.20 118.06 1gg3 s ILE 240 Ca -0.07 -1.12 -0.01 0.00 -0.26 0.00 0.00 60.65 59.19 1gg3 s ILE 240 Cb -0.11 -1.12 0.04 0.00 1.25 0.00 0.00 42.46 42.51 1gg3 s ILE 240 CO 0.01 -0.01 -0.06 -0.54 0.24 0.00 0.00 174.94 174.59 1gg3 s LYS 241 N -1.30 2.67 0.05 0.37 -0.14 0.19 -1.49 119.74 120.09 1gg3 s LYS 241 Ca 0.02 -1.08 -0.02 0.00 -1.36 0.00 0.00 55.97 53.53 1gg3 s LYS 241 Cb -0.08 -3.00 -0.04 0.00 -1.68 0.00 0.00 37.83 33.02 1gg3 s LYS 241 CO 0.02 -0.47 0.23 -1.50 -0.76 0.00 0.00 175.35 172.87 1gg3 s ILE 242 N 1.28 5.37 0.00 2.17 2.07 -0.60 0.13 121.20 131.62 1gg3 s ILE 242 Ca -0.02 -0.25 0.00 0.00 -1.41 0.00 0.00 60.65 58.97 1gg3 s ILE 242 Cb -0.18 -3.60 0.00 0.00 0.13 0.00 0.00 42.46 38.81 1gg3 s ILE 242 CO -0.04 0.19 0.00 0.54 -1.91 0.00 0.00 174.94 173.72 1gg3 n ARG 243 N 0.47 -0.61 0.00 3.50 1.74 0.95 -2.47 116.66 120.25 1gg3 n ARG 243 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1gg3 n ARG 243 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 1gg3 n ARG 243 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1gg3 n PRO 244 N -1.20 0.00 0.00 5.56 -0.02 -0.57 -4.44 135.00 134.33 1gg3 n PRO 244 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1gg3 n PRO 244 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1gg3 n PRO 244 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gg3 n GLY 245 N 0.00 -0.14 0.08 -1.23 0.00 -1.26 -4.95 105.19 97.69 1gg3 n GLY 245 Ca 0.00 0.50 -0.04 0.00 0.00 0.00 0.00 46.02 46.48 1gg3 n GLY 245 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1gg3 h GLU 246 N 0.00 0.00 0.00 1.61 4.57 -2.00 -3.45 114.58 115.31 1gg3 h GLU 246 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1gg3 h GLU 246 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1gg3 h GLU 246 CO 0.00 0.81 0.00 0.00 -1.18 0.00 0.00 179.01 178.64 1gg3 n GLN 247 N -3.28 3.60 -2.74 1.92 0.00 -1.26 -5.09 117.38 110.52 1gg3 n GLN 247 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 57.00 56.90 1gg3 n GLN 247 Cb 0.89 0.00 0.08 0.00 0.00 0.00 0.00 30.24 31.21 1gg3 n GLN 247 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1gg3 n GLU 248 N 0.00 1.13 0.02 2.61 1.02 -1.26 -4.72 120.64 119.44 1gg3 n GLU 248 Ca 0.00 -2.33 -0.01 0.00 -0.02 0.00 0.00 57.16 54.80 1gg3 n GLU 248 Cb 0.00 -0.68 -0.00 0.00 -0.02 0.00 0.00 31.44 30.74 1gg3 n GLU 248 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1gg3 n GLN 249 N -0.20 0.02 -3.26 3.49 -0.06 -1.26 -4.97 117.38 111.15 1gg3 n GLN 249 Ca 0.04 0.01 -0.39 0.00 -2.00 0.00 0.00 57.00 54.67 1gg3 n GLN 249 Cb 0.80 -0.54 -0.06 0.00 -4.06 0.00 0.00 30.24 26.38 1gg3 n GLN 249 CO 0.00 0.00 0.00 1.52 -0.20 0.00 0.00 177.06 178.38 1gg3 s TYR 250 N -2.03 3.81 -0.19 3.69 -0.85 -1.26 -4.94 117.35 115.58 1gg3 s TYR 250 Ca -0.01 1.29 -0.03 0.00 -0.52 0.00 0.00 57.07 57.80 1gg3 s TYR 250 Cb 0.00 -2.52 0.06 0.00 0.38 0.00 0.00 41.96 39.89 1gg3 s TYR 250 CO 0.02 0.58 0.04 -1.83 -1.52 0.00 0.00 175.55 172.83 1gg3 s GLU 251 N -1.09 0.64 0.42 -3.49 -1.05 -1.26 -1.51 118.70 111.36 1gg3 s GLU 251 Ca 0.29 -0.41 0.07 0.00 -0.15 0.00 0.00 54.97 54.77 1gg3 s GLU 251 Cb -0.20 -2.10 0.07 0.00 -0.44 0.00 0.00 34.13 31.46 1gg3 s GLU 251 CO 0.19 -0.64 0.58 -1.13 0.95 0.00 0.00 175.26 175.21 1gg3 n SER 252 N 5.06 1.50 -4.08 0.83 3.41 -1.03 -4.95 113.62 114.36 1gg3 n SER 252 Ca -0.09 -2.10 -0.16 0.00 -0.26 0.00 0.00 58.87 56.27 1gg3 n SER 252 Cb 0.47 -0.31 -0.12 0.00 -0.26 0.00 0.00 64.21 63.99 1gg3 n SER 252 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1gg3 s THR 253 N -1.60 0.72 0.10 6.66 2.01 -1.26 -1.55 115.64 120.72 1gg3 s THR 253 Ca 0.44 -0.96 0.06 0.00 0.31 0.00 0.00 61.69 61.54 1gg3 s THR 253 Cb -0.03 -0.72 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 1gg3 s THR 253 CO 0.28 -0.20 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.24 1gg3 s ILE 254 N -1.05 1.24 -0.00 1.82 1.09 -0.56 -5.00 121.20 118.74 1gg3 s ILE 254 Ca -0.04 -1.51 -0.11 0.00 -1.10 0.00 0.00 60.65 57.89 1gg3 s ILE 254 Cb -0.08 -1.31 0.01 0.00 -1.06 0.00 0.00 42.46 40.02 1gg3 s ILE 254 CO 0.01 -0.31 0.22 -0.83 -0.10 0.00 0.00 174.94 173.93 1gg3 s GLY 255 N -2.08 -0.05 0.10 6.18 0.00 -1.26 -2.11 107.32 108.10 1gg3 s GLY 255 Ca 0.03 0.09 0.02 0.00 0.00 0.00 0.00 44.72 44.86 1gg3 s GLY 255 CO 0.03 -0.09 -0.06 -1.36 0.00 0.00 0.00 173.10 171.62 1gg3 s PHE 256 N -1.37 0.91 -0.25 1.90 0.40 -0.87 -3.69 117.98 115.01 1gg3 s PHE 256 Ca -0.14 -0.94 -0.08 0.00 -0.60 0.00 0.00 56.93 55.18 1gg3 s PHE 256 Cb -0.06 -0.53 -0.03 0.00 0.51 0.00 0.00 43.02 42.91 1gg3 s PHE 256 CO 0.03 -0.17 0.08 0.21 0.70 0.00 0.00 175.22 176.07 1gg3 s LYS 257 N -3.85 3.69 0.25 0.44 2.47 0.19 -1.55 119.74 121.39 1gg3 s LYS 257 Ca 0.13 -0.46 0.05 0.00 -1.56 0.00 0.00 55.97 54.13 1gg3 s LYS 257 Cb 0.05 -3.35 -0.03 0.00 -1.46 0.00 0.00 37.83 33.05 1gg3 s LYS 257 CO -0.04 -0.17 0.37 -0.51 0.16 0.00 0.00 175.35 175.16 1gg3 s LEU 258 N 1.58 4.25 0.51 5.43 1.43 0.36 -1.36 118.68 130.87 1gg3 s LEU 258 Ca 0.06 0.02 0.17 0.00 -1.03 0.00 0.00 54.13 53.35 1gg3 s LEU 258 Cb -0.15 -2.82 1.26 0.00 0.03 0.00 0.00 46.19 44.51 1gg3 s LEU 258 CO 0.04 -0.12 2.10 -0.65 0.23 0.00 0.00 176.35 177.96 1gg3 h PRO 259 N 1.15 0.05 -3.20 1.29 0.11 -1.85 -3.44 132.00 126.11 1gg3 h PRO 259 Ca -0.51 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1gg3 h PRO 259 Cb 1.23 -0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.24 1gg3 h PRO 259 CO 0.60 0.04 0.10 -1.54 -0.21 0.00 0.00 178.00 176.98 1gg3 s SER 260 N -6.83 -0.30 0.55 -2.05 1.04 -1.26 -4.97 113.70 99.88 1gg3 s SER 260 Ca -0.05 -0.45 0.26 0.00 0.48 0.00 0.00 55.95 56.19 1gg3 s SER 260 Cb 0.18 0.62 1.59 0.00 0.10 0.00 0.00 66.02 68.50 1gg3 s SER 260 CO 0.69 -1.11 2.17 0.10 0.98 0.00 0.00 173.24 176.07 1gg3 h TYR 261 N 2.12 0.00 -0.10 5.02 -0.00 -1.89 -0.44 116.97 121.69 1gg3 h TYR 261 Ca -0.27 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.43 1gg3 h TYR 261 Cb 1.27 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.99 1gg3 h TYR 261 CO 0.35 0.05 -0.05 -0.09 -0.00 0.00 0.00 178.16 178.42 1gg3 h ARG 262 N 0.00 0.21 -0.57 0.10 2.43 -1.94 -0.31 114.38 114.30 1gg3 h ARG 262 Ca -0.00 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1gg3 h ARG 262 Cb 0.13 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1gg3 h ARG 262 CO 0.01 0.56 0.35 0.00 -1.51 0.00 0.00 179.97 179.38 1gg3 h ALA 263 N 0.64 0.73 -0.08 2.80 0.00 -1.52 0.30 119.26 122.12 1gg3 h ALA 263 Ca 0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1gg3 h ALA 263 Cb 0.50 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1gg3 h ALA 263 CO 0.01 0.20 0.04 0.00 0.00 0.00 0.00 179.25 179.51 1gg3 h ALA 264 N 1.18 0.11 -0.07 0.00 0.00 -1.14 0.19 119.26 119.52 1gg3 h ALA 264 Ca 0.21 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1gg3 h ALA 264 Cb -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1gg3 h ALA 264 CO -0.04 -0.35 -0.08 -0.22 0.00 0.00 0.00 179.25 178.56 1gg3 h LYS 265 N 0.03 0.11 0.21 0.00 3.64 -0.81 0.31 116.57 120.06 1gg3 h LYS 265 Ca 0.03 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1gg3 h LYS 265 Cb 0.09 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1gg3 h LYS 265 CO -0.00 0.20 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.05 1gg3 h LYS 266 N 0.11 -0.27 0.00 1.90 3.64 -0.38 -1.79 116.57 119.77 1gg3 h LYS 266 Ca 0.02 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1gg3 h LYS 266 Cb 0.22 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1gg3 h LYS 266 CO 0.01 0.11 -0.11 1.25 -2.27 0.00 0.00 179.45 178.45 1gg3 h LEU 267 N -0.81 0.00 -0.14 5.20 5.85 -0.25 -1.95 115.31 123.21 1gg3 h LEU 267 Ca -0.03 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.49 1gg3 h LEU 267 Cb 0.51 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.55 1gg3 h LEU 267 CO 0.05 0.11 -0.70 -0.25 -0.34 0.00 0.00 178.44 177.30 1gg3 h TRP 268 N 0.00 0.98 -0.16 1.25 7.01 -0.37 -2.57 115.95 122.08 1gg3 h TRP 268 Ca -0.00 -0.43 -0.02 0.00 2.11 0.00 0.00 58.89 60.55 1gg3 h TRP 268 Cb 0.19 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.09 1gg3 h TRP 268 CO 0.00 1.25 0.03 -0.22 -2.79 0.00 0.00 178.44 176.71 1gg3 h LYS 269 N 0.42 0.27 0.04 2.65 3.64 -0.65 -1.61 116.57 121.34 1gg3 h LYS 269 Ca -0.05 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1gg3 h LYS 269 Cb 1.34 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.09 1gg3 h LYS 269 CO 0.15 0.44 -0.17 0.28 -2.27 0.00 0.00 179.45 177.88 1gg3 h VAL 270 N 0.06 0.59 -0.94 2.00 2.07 -1.45 -0.93 116.25 117.64 1gg3 h VAL 270 Ca 0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.64 1gg3 h VAL 270 Cb 0.30 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1gg3 h VAL 270 CO 0.00 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.20 1gg3 h VAL 272 N 1.07 1.34 -0.15 0.00 2.07 -0.97 -1.31 116.25 118.30 1gg3 h VAL 272 Ca 0.41 -1.81 -0.16 0.00 0.82 0.00 0.00 66.70 65.97 1gg3 h VAL 272 Cb 0.21 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1gg3 h VAL 272 CO -0.16 0.55 -0.56 -0.33 0.02 0.00 0.00 177.57 177.09 1gg3 h GLU 273 N 0.32 0.47 -0.00 1.57 5.08 -0.12 -2.23 114.58 119.67 1gg3 h GLU 273 Ca 0.01 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1gg3 h GLU 273 Cb 1.05 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1gg3 h GLU 273 CO 0.09 0.91 -0.01 0.45 -1.00 0.00 0.00 179.01 179.45 1gg3 h HIS 274 N 0.36 0.02 -0.92 4.33 3.86 -0.99 -0.01 115.15 121.80 1gg3 h HIS 274 Ca 0.00 -0.01 0.18 0.00 -1.16 0.00 0.00 60.37 59.38 1gg3 h HIS 274 Cb 1.09 -0.00 -0.10 0.00 1.06 0.00 0.00 27.41 29.46 1gg3 h HIS 274 CO 0.04 0.68 0.50 1.25 0.86 0.00 0.00 177.93 181.26 1gg3 h HIS 275 N -0.65 0.86 -0.01 2.45 -0.00 -1.29 0.43 115.15 116.94 1gg3 h HIS 275 Ca -0.00 0.04 -0.22 0.00 -0.00 0.00 0.00 60.37 60.18 1gg3 h HIS 275 Cb 0.69 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.85 1gg3 h HIS 275 CO 0.16 0.16 -0.92 1.15 -0.00 0.00 0.00 177.93 178.48 1gg3 h THR 276 N 0.63 1.41 0.00 6.26 2.02 -1.39 -2.26 112.91 119.58 1gg3 h THR 276 Ca 0.53 -2.44 -0.05 0.00 0.77 0.00 0.00 66.41 65.21 1gg3 h THR 276 Cb 0.82 2.40 -0.01 0.00 -1.74 0.00 0.00 68.15 69.63 1gg3 h THR 276 CO -0.40 0.73 -0.25 0.15 0.37 0.00 0.00 175.52 176.11 1gg3 h PHE 277 N 0.22 0.00 -1.80 3.16 3.57 0.40 -3.29 116.94 119.20 1gg3 h PHE 277 Ca -0.07 0.00 -0.56 0.00 3.53 0.00 0.00 57.97 60.87 1gg3 h PHE 277 Cb 1.55 0.00 -0.42 0.00 2.79 0.00 0.00 35.95 39.87 1gg3 h PHE 277 CO 0.06 0.25 -0.79 1.19 -2.23 0.00 0.00 178.31 176.79 1gg3 n PHE 278 N -3.21 3.13 0.84 0.41 0.99 0.14 -5.07 117.46 114.69 1gg3 n PHE 278 Ca 0.02 -3.49 0.07 0.00 -0.00 0.00 0.00 57.45 54.05 1gg3 n PHE 278 Cb 0.58 -0.30 0.40 0.00 -1.00 0.00 0.00 39.48 39.16 1gg3 n PHE 278 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.76 179.65