#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4a s LYS 2 N 0.00 0.37 -0.12 0.03 2.20 -1.26 -0.55 119.74 120.41 3g4a s LYS 2 Ca 0.00 0.13 0.02 0.00 -0.36 0.00 0.00 55.97 55.76 3g4a s LYS 2 Cb 0.00 -0.67 -0.00 0.00 -1.51 0.00 0.00 37.83 35.64 3g4a s LYS 2 CO 0.00 -0.22 -0.19 0.42 -0.36 0.00 0.00 175.35 174.99 3g4a s ILE 3 N 1.55 2.41 0.21 5.43 1.01 0.41 -4.97 121.20 127.26 3g4a s ILE 3 Ca -0.02 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.45 3g4a s ILE 3 Cb -0.13 -1.97 -0.08 0.00 0.01 0.00 0.00 42.46 40.29 3g4a s ILE 3 CO -0.03 0.54 1.04 -1.81 0.00 0.00 0.00 174.94 174.68 3g4a s ASP 4 N 0.50 7.40 0.03 3.58 1.01 -1.26 -0.77 116.67 127.15 3g4a s ASP 4 Ca -0.13 2.06 0.03 0.00 0.71 0.00 0.00 52.55 55.22 3g4a s ASP 4 Cb -0.17 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.14 3g4a s ASP 4 CO 0.05 -0.08 -0.09 -0.63 0.21 0.00 0.00 175.17 174.63 3g4a s ILE 5 N -0.68 0.65 0.00 0.77 -1.09 -0.53 -4.92 121.20 115.39 3g4a s ILE 5 Ca 0.46 -0.81 0.00 0.00 -2.23 0.00 0.00 60.65 58.06 3g4a s ILE 5 Cb -0.28 -0.63 0.00 0.00 -1.58 0.00 0.00 42.46 39.96 3g4a s ILE 5 CO 0.35 -0.14 0.00 0.18 -1.23 0.00 0.00 174.94 174.10 3g4a n LEU 6 N 2.00 0.00 0.03 2.97 4.77 -1.26 -0.02 117.00 125.48 3g4a n LEU 6 Ca -0.19 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.74 3g4a n LEU 6 Cb 0.56 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.54 3g4a n LEU 6 CO 0.23 -0.00 -0.22 -2.24 -1.33 0.00 0.00 177.39 173.82 3g4a h ASP 7 N 7.03 0.00 0.00 -1.43 2.03 -1.96 -3.41 116.42 118.68 3g4a h ASP 7 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3g4a h ASP 7 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3g4a h ASP 7 CO 0.00 0.86 -0.15 0.29 -1.03 0.00 0.00 179.24 179.21 3g4a n LYS 8 N -3.10 0.00 -2.57 4.15 5.02 -1.25 -5.11 118.16 115.30 3g4a n LYS 8 Ca -0.09 -0.64 -0.23 0.00 -2.02 0.00 0.00 58.31 55.33 3g4a n LYS 8 Cb 0.95 -0.50 0.04 0.00 -0.02 0.00 0.00 35.03 35.50 3g4a n LYS 8 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3g4a s GLY 9 N -0.30 1.75 0.12 0.72 0.00 0.97 -4.90 107.32 105.69 3g4a s GLY 9 Ca 0.00 -1.17 -0.25 0.00 0.00 0.00 0.00 44.72 43.31 3g4a s GLY 9 CO 0.00 -0.87 0.71 -0.11 0.00 0.00 0.00 173.10 172.83 3g4a s PHE 10 N -2.86 -0.43 -0.12 1.90 -0.71 -0.95 -1.45 117.98 113.36 3g4a s PHE 10 Ca 0.57 0.21 0.01 0.00 -1.04 0.00 0.00 56.93 56.67 3g4a s PHE 10 Cb -0.10 0.57 0.02 0.00 -1.21 0.00 0.00 43.02 42.30 3g4a s PHE 10 CO 0.40 -0.80 -0.13 0.08 -1.34 0.00 0.00 175.22 173.43 3g4a s VAL 11 N -3.56 1.37 -0.07 -2.49 1.01 0.05 -1.13 120.40 115.57 3g4a s VAL 11 Ca 0.04 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.53 3g4a s VAL 11 Cb -0.02 -1.29 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 3g4a s VAL 11 CO -0.09 0.42 -0.23 -0.70 0.00 0.00 0.00 175.10 174.50 3g4a s GLU 12 N 1.32 2.64 -0.21 2.72 2.12 0.33 -0.44 118.70 127.18 3g4a s GLU 12 Ca -0.00 -0.84 -0.26 0.00 0.36 0.00 0.00 54.97 54.23 3g4a s GLU 12 Cb -0.14 -2.12 -0.00 0.00 0.26 0.00 0.00 34.13 32.13 3g4a s GLU 12 CO -0.06 0.26 0.89 -1.17 -0.54 0.00 0.00 175.26 174.64 3g4a s LEU 13 N 0.12 4.13 -0.23 2.70 2.96 0.29 -0.33 118.68 128.31 3g4a s LEU 13 Ca -0.11 1.19 -0.18 0.00 -0.22 0.00 0.00 54.13 54.81 3g4a s LEU 13 Cb -0.15 -3.31 -0.17 0.00 0.50 0.00 0.00 46.19 43.05 3g4a s LEU 13 CO 0.06 -0.51 0.03 0.52 -1.32 0.00 0.00 176.35 175.13 3g4a n VAL 14 N 5.06 1.54 -3.86 1.68 0.31 0.46 -4.55 118.33 118.98 3g4a n VAL 14 Ca 0.07 -0.17 -0.10 0.00 -0.01 0.00 0.00 64.34 64.13 3g4a n VAL 14 Cb 0.48 -1.97 -0.06 0.00 -0.91 0.00 0.00 33.84 31.38 3g4a n VAL 14 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3g4a s ASP 15 N -7.06 -0.08 -0.11 4.52 -1.08 -0.95 -4.98 116.67 106.92 3g4a s ASP 15 Ca -0.32 -0.70 -0.09 0.00 -0.52 0.00 0.00 52.55 50.92 3g4a s ASP 15 Cb 0.09 0.49 0.03 0.00 -1.46 0.00 0.00 42.92 42.07 3g4a s ASP 15 CO 0.57 -0.95 0.28 0.54 0.52 0.00 0.00 175.17 176.12 3g4a s VAL 16 N -3.92 -0.01 -0.29 1.11 0.11 -1.26 -1.23 120.40 114.91 3g4a s VAL 16 Ca 0.13 0.02 -0.07 0.00 -2.93 0.00 0.00 61.98 59.13 3g4a s VAL 16 Cb 0.02 -0.40 0.01 0.00 -1.53 0.00 0.00 36.38 34.47 3g4a s VAL 16 CO -0.02 0.01 0.08 -0.32 -3.33 0.00 0.00 175.10 171.52 3g4a s MET 17 N 0.31 3.14 0.09 1.54 1.75 0.03 -5.01 119.30 121.15 3g4a s MET 17 Ca -0.01 -0.82 0.00 0.00 -1.25 0.00 0.00 55.69 53.60 3g4a s MET 17 Cb -0.03 -3.37 0.00 0.00 2.84 0.00 0.00 34.83 34.27 3g4a s MET 17 CO -0.01 -0.42 0.00 0.41 -0.65 0.00 0.00 175.02 174.35 3g4a n GLY 18 N 4.87 -2.44 0.00 2.11 0.00 -1.26 -2.12 105.19 106.35 3g4a n GLY 18 Ca -0.15 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.87 3g4a n GLY 18 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3g4a n ASN 19 N 0.05 0.00 -0.17 1.61 0.23 -1.26 -4.95 115.26 110.77 3g4a n ASN 19 Ca 0.00 -0.70 0.17 0.00 -0.53 0.00 0.00 54.58 53.51 3g4a n ASN 19 Cb 0.00 0.00 0.52 0.00 -2.08 0.00 0.00 39.78 38.22 3g4a n ASN 19 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3g4a h ASP 20 N 0.00 0.37 0.54 0.53 3.32 -1.92 -1.84 116.42 117.42 3g4a h ASP 20 Ca 0.00 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 3g4a h ASP 20 Cb 0.00 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3g4a h ASP 20 CO 0.00 0.18 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.40 3g4a h LEU 21 N 0.39 0.00 -1.27 1.55 3.38 -1.97 -2.59 115.31 114.80 3g4a h LEU 21 Ca 0.39 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.38 3g4a h LEU 21 Cb 0.93 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 3g4a h LEU 21 CO -0.12 0.24 0.50 0.28 0.09 0.00 0.00 178.44 179.43 3g4a h SER 22 N 0.00 0.84 -0.28 -0.43 0.02 -1.70 0.12 113.55 112.12 3g4a h SER 22 Ca -0.00 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.81 3g4a h SER 22 Cb 0.57 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3g4a h SER 22 CO 0.03 0.59 -0.27 0.00 -1.14 0.00 0.00 176.83 176.04 3g4a h ALA 23 N 1.54 0.82 -0.15 3.77 0.00 -1.58 -2.11 119.26 121.55 3g4a h ALA 23 Ca 0.29 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3g4a h ALA 23 Cb -0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3g4a h ALA 23 CO -0.08 0.64 -0.02 0.28 0.00 0.00 0.00 179.25 180.07 3g4a h VAL 24 N 0.67 1.28 -0.76 0.00 2.07 -1.36 -0.53 116.25 117.61 3g4a h VAL 24 Ca 0.08 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.70 3g4a h VAL 24 Cb 0.80 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 3g4a h VAL 24 CO 0.07 0.28 0.47 0.03 0.02 0.00 0.00 177.57 178.44 3g4a h ARG 25 N -0.02 0.89 0.05 1.57 3.08 -0.79 -1.56 114.38 117.59 3g4a h ARG 25 Ca 0.04 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3g4a h ARG 25 Cb 0.43 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3g4a h ARG 25 CO 0.01 0.59 -0.02 0.00 -1.07 0.00 0.00 179.97 179.48 3g4a h ALA 26 N 1.33 -0.06 -0.87 0.04 0.00 -1.34 -0.32 119.26 118.03 3g4a h ALA 26 Ca 0.31 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.19 3g4a h ALA 26 Cb 0.05 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.77 3g4a h ALA 26 CO -0.12 -0.39 0.49 0.00 0.00 0.00 0.00 179.25 179.23 3g4a h ALA 27 N 0.58 1.30 -0.00 0.00 0.00 -0.87 -1.52 119.26 118.75 3g4a h ALA 27 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3g4a h ALA 27 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3g4a h ALA 27 CO 0.01 0.02 -0.26 0.54 0.00 0.00 0.00 179.25 179.56 3g4a n ARG 28 N -4.78 0.15 -3.73 0.00 1.74 -0.61 -4.97 116.66 104.47 3g4a n ARG 28 Ca 0.16 -0.06 -0.33 0.00 -0.77 0.00 0.00 57.85 56.85 3g4a n ARG 28 Cb 0.38 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.36 3g4a n ARG 28 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3g4a n VAL 29 N -1.37 -5.46 -3.66 1.55 0.31 -0.23 -5.00 118.33 104.47 3g4a n VAL 29 Ca 0.08 -0.91 -0.08 0.00 -0.01 0.00 0.00 64.34 63.42 3g4a n VAL 29 Cb 0.33 -4.09 -0.09 0.00 -0.91 0.00 0.00 33.84 29.08 3g4a n VAL 29 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3g4a s SER 30 N -3.51 -0.35 -0.71 4.52 0.15 -0.63 -5.05 113.70 108.12 3g4a s SER 30 Ca 0.46 1.05 -0.26 0.00 0.70 0.00 0.00 55.95 57.90 3g4a s SER 30 Cb -0.17 1.42 -0.03 0.00 -1.71 0.00 0.00 66.02 65.52 3g4a s SER 30 CO 0.87 -0.23 1.91 0.12 1.20 0.00 0.00 173.24 177.12 3g4a s PHE 31 N 2.58 1.69 0.00 3.44 5.36 -1.26 -4.59 117.98 125.20 3g4a s PHE 31 Ca -0.02 0.77 0.00 0.00 -0.96 0.00 0.00 56.93 56.71 3g4a s PHE 31 Cb -0.12 -4.05 0.00 0.00 -0.34 0.00 0.00 43.02 38.51 3g4a s PHE 31 CO -0.13 -2.11 0.00 1.63 -1.46 0.00 0.00 175.22 173.15 3g4a n LYS 36 N 9.06 0.00 -3.48 10.12 5.02 -1.26 -5.16 118.16 132.47 3g4a n LYS 36 Ca 0.28 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.33 3g4a n LYS 36 Cb 0.50 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.39 3g4a n LYS 36 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3g4a s ASP 37 N -4.00 2.72 0.11 4.39 2.15 -1.26 -5.07 116.67 115.71 3g4a s ASP 37 Ca 0.00 -1.18 -0.26 0.00 0.43 0.00 0.00 52.55 51.54 3g4a s ASP 37 Cb 0.00 -0.00 -0.09 0.00 -0.30 0.00 0.00 42.92 42.53 3g4a s ASP 37 CO 0.00 -0.40 1.66 -0.08 -0.17 0.00 0.00 175.17 176.17 3g4a h GLU 38 N 8.20 -0.38 -0.37 4.34 4.22 -2.05 0.28 114.58 128.83 3g4a h GLU 38 Ca -0.15 0.03 -0.09 0.00 0.08 0.00 0.00 59.36 59.23 3g4a h GLU 38 Cb 1.03 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3g4a h GLU 38 CO 0.38 -0.25 -0.13 0.93 -2.18 0.00 0.00 179.01 177.76 3g4a h GLU 39 N -0.39 0.74 -0.08 1.92 3.07 -1.98 0.13 114.58 117.99 3g4a h GLU 39 Ca 0.03 -0.30 -0.16 0.00 -0.50 0.00 0.00 59.36 58.42 3g4a h GLU 39 Cb 0.41 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 3g4a h GLU 39 CO -0.12 0.91 -0.65 0.00 -1.40 0.00 0.00 179.01 177.75 3g4a h ARG 40 N 0.54 0.31 -0.33 2.33 3.08 -1.93 -0.84 114.38 117.53 3g4a h ARG 40 Ca 0.09 -0.23 -0.11 0.00 0.07 0.00 0.00 59.98 59.80 3g4a h ARG 40 Cb 0.65 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 3g4a h ARG 40 CO 0.04 0.86 -0.22 -0.44 -1.07 0.00 0.00 179.97 179.14 3g4a h ASP 41 N 0.22 0.78 -0.79 7.04 3.32 -0.20 -1.38 116.42 125.41 3g4a h ASP 41 Ca -0.01 -0.43 0.01 0.00 0.02 0.00 0.00 57.03 56.61 3g4a h ASP 41 Cb 1.19 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.48 3g4a h ASP 41 CO 0.11 1.04 0.52 0.03 -1.72 0.00 0.00 179.24 179.21 3g4a h ARG 42 N 0.51 1.04 -0.64 3.56 3.08 -0.75 -1.92 114.38 119.26 3g4a h ARG 42 Ca 0.07 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3g4a h ARG 42 Cb 0.78 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 3g4a h ARG 42 CO 0.06 0.69 0.38 1.25 -1.07 0.00 0.00 179.97 181.28 3g4a h HIS 43 N 1.07 0.86 -0.32 3.04 2.76 -1.01 -0.87 115.15 120.67 3g4a h HIS 43 Ca 0.29 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.46 3g4a h HIS 43 Cb -0.12 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.55 3g4a h HIS 43 CO -0.02 0.59 0.21 1.25 -1.30 0.00 0.00 177.93 178.66 3g4a h LEU 44 N 0.88 0.35 -0.61 0.26 5.85 -1.11 -0.20 115.31 120.73 3g4a h LEU 44 Ca 0.23 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.01 3g4a h LEU 44 Cb -0.01 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 3g4a h LEU 44 CO -0.04 0.26 0.31 0.40 -0.34 0.00 0.00 178.44 179.02 3g4a h ILE 45 N 0.42 0.92 -0.51 4.05 1.08 -0.77 0.41 117.51 123.10 3g4a h ILE 45 Ca 0.12 -0.19 -0.06 0.00 -0.39 0.00 0.00 64.86 64.33 3g4a h ILE 45 Cb -0.04 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 33.99 3g4a h ILE 45 CO -0.03 0.10 0.07 -0.33 -0.69 0.00 0.00 178.15 177.27 3g4a h GLU 46 N 0.57 0.82 -0.10 2.37 5.08 -0.95 -1.84 114.58 120.53 3g4a h GLU 46 Ca 0.28 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3g4a h GLU 46 Cb 0.22 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3g4a h GLU 46 CO -0.20 0.78 0.03 -0.92 -1.00 0.00 0.00 179.01 177.69 3g4a h TYR 47 N 0.78 0.16 -0.26 4.33 5.03 -0.12 0.95 116.97 127.84 3g4a h TYR 47 Ca 0.16 -0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.48 3g4a h TYR 47 Cb 0.37 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.58 3g4a h TYR 47 CO 0.02 0.31 0.11 -0.07 -1.32 0.00 0.00 178.16 177.20 3g4a h LEU 48 N -0.03 0.14 -0.54 2.82 3.38 -0.88 -1.68 115.31 118.53 3g4a h LEU 48 Ca 0.03 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3g4a h LEU 48 Cb 0.22 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3g4a h LEU 48 CO -0.00 0.11 0.26 -0.03 0.09 0.00 0.00 178.44 178.87 3g4a h MET 49 N 0.23 0.77 -0.65 1.13 4.05 -1.22 0.47 114.93 119.72 3g4a h MET 49 Ca 0.11 -0.11 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 3g4a h MET 49 Cb 0.06 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.69 3g4a h MET 49 CO -0.10 0.64 0.32 -0.22 0.23 0.00 0.00 176.91 177.78 3g4a h LYS 50 N 0.72 0.91 -0.68 0.39 3.64 -0.59 -2.86 116.57 118.09 3g4a h LYS 50 Ca 0.18 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3g4a h LYS 50 Cb 0.12 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3g4a h LYS 50 CO -0.02 0.69 0.00 0.72 -2.27 0.00 0.00 179.45 178.57 3g4a n HIS 51 N -4.36 1.07 -1.88 1.91 8.25 -0.65 -4.95 115.22 114.62 3g4a n HIS 51 Ca 0.06 -0.53 -0.14 0.00 -0.26 0.00 0.00 57.72 56.84 3g4a n HIS 51 Cb 0.12 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.13 3g4a n HIS 51 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3g4a n GLY 52 N 1.40 0.57 3.48 -1.41 0.00 -0.55 -4.93 105.19 103.75 3g4a n GLY 52 Ca 0.24 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 3g4a n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3g4a s HIS 53 N -2.63 3.08 -0.65 1.61 3.76 0.05 -4.81 115.29 115.70 3g4a s HIS 53 Ca 0.00 -1.46 0.22 0.00 -0.15 0.00 0.00 55.06 53.67 3g4a s HIS 53 Cb 0.00 -4.38 -0.14 0.00 1.11 0.00 0.00 32.58 29.17 3g4a s HIS 53 CO 0.00 -1.56 0.86 0.39 -0.85 0.00 0.00 174.74 173.58 3g4a n GLU 54 N 6.85 0.25 0.15 1.40 1.02 -1.26 -4.39 120.64 124.65 3g4a n GLU 54 Ca 0.29 -0.05 0.05 0.00 -0.02 0.00 0.00 57.16 57.43 3g4a n GLU 54 Cb 0.48 -1.53 0.48 0.00 -0.02 0.00 0.00 31.44 30.85 3g4a n GLU 54 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3g4a h THR 55 N 0.00 1.10 0.00 2.62 1.35 -1.98 -2.15 112.91 113.85 3g4a h THR 55 Ca 0.00 -0.40 -0.01 0.00 -0.55 0.00 0.00 66.41 65.45 3g4a h THR 55 Cb 0.69 1.00 -0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3g4a h THR 55 CO 0.00 0.13 -0.04 -0.65 -0.25 0.00 0.00 175.52 174.71 3g4a h PRO 56 N 0.21 0.00 0.00 4.72 0.11 -1.88 -1.95 132.00 133.21 3g4a h PRO 56 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3g4a h PRO 56 Cb 0.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.27 3g4a h PRO 56 CO 0.00 0.04 0.00 1.19 -0.21 0.00 0.00 178.00 179.03 3g4a n PHE 57 N -3.73 0.00 0.59 0.65 3.72 -0.81 -2.98 117.46 114.90 3g4a n PHE 57 Ca -0.03 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.49 3g4a n PHE 57 Cb 0.14 -0.46 0.45 0.00 -0.94 0.00 0.00 39.48 38.67 3g4a n PHE 57 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3g4a n GLU 58 N -1.46 0.13 -0.02 -1.08 1.02 -0.73 -2.83 120.64 115.67 3g4a n GLU 58 Ca 0.06 0.25 0.13 0.00 -0.02 0.00 0.00 57.16 57.58 3g4a n GLU 58 Cb 0.23 -1.70 0.54 0.00 -0.02 0.00 0.00 31.44 30.48 3g4a n GLU 58 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3g4a n HIS 59 N -1.95 0.06 -4.06 -0.32 8.25 -1.16 -4.67 115.22 111.37 3g4a n HIS 59 Ca 0.04 -0.03 -0.35 0.00 -0.26 0.00 0.00 57.72 57.13 3g4a n HIS 59 Cb 0.29 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.29 3g4a n HIS 59 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3g4a s ILE 60 N -1.94 4.49 -0.01 1.59 1.01 -1.13 -4.74 121.20 120.46 3g4a s ILE 60 Ca 0.37 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.91 3g4a s ILE 60 Cb 0.20 -3.02 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 3g4a s ILE 60 CO 0.31 0.45 -0.09 -0.69 0.00 0.00 0.00 174.94 174.92 3g4a s VAL 61 N 0.58 0.75 0.07 2.92 1.01 -0.90 -0.34 120.40 124.49 3g4a s VAL 61 Ca 0.02 -0.40 0.10 0.00 0.00 0.00 0.00 61.98 61.69 3g4a s VAL 61 Cb -0.13 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 3g4a s VAL 61 CO 0.02 0.22 -0.26 -0.36 0.00 0.00 0.00 175.10 174.72 3g4a s PHE 62 N -0.17 2.24 -0.17 5.22 0.40 0.20 -0.79 117.98 124.91 3g4a s PHE 62 Ca 0.03 -0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 55.96 3g4a s PHE 62 Cb -0.04 -1.30 0.00 0.00 0.51 0.00 0.00 43.02 42.19 3g4a s PHE 62 CO -0.00 0.19 -0.15 0.99 0.70 0.00 0.00 175.22 176.94 3g4a s THR 63 N -0.89 2.57 0.21 0.64 2.01 -0.37 -1.51 115.64 118.30 3g4a s THR 63 Ca 0.12 -0.79 0.07 0.00 0.31 0.00 0.00 61.69 61.40 3g4a s THR 63 Cb -0.10 -2.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 3g4a s THR 63 CO 0.03 0.51 0.08 -0.36 -0.69 0.00 0.00 174.62 174.19 3g4a s PHE 64 N 1.05 2.95 -0.19 4.92 0.40 0.58 -0.40 117.98 127.30 3g4a s PHE 64 Ca -0.01 -0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 3g4a s PHE 64 Cb -0.15 -1.38 0.02 0.00 0.51 0.00 0.00 43.02 42.02 3g4a s PHE 64 CO -0.04 0.54 -0.19 -1.58 0.70 0.00 0.00 175.22 174.65 3g4a s HIS 65 N -1.94 2.81 -0.05 0.36 5.65 0.55 -0.67 115.29 122.01 3g4a s HIS 65 Ca 0.30 -1.63 0.05 0.00 0.25 0.00 0.00 55.06 54.03 3g4a s HIS 65 Cb -0.09 -1.93 -0.01 0.00 -1.18 0.00 0.00 32.58 29.38 3g4a s HIS 65 CO 0.21 -0.80 -0.20 0.08 -0.65 0.00 0.00 174.74 173.39 3g4a s VAL 66 N 1.30 1.65 -0.20 0.89 1.01 0.01 -0.52 120.40 124.54 3g4a s VAL 66 Ca 0.05 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 3g4a s VAL 66 Cb -0.13 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.84 3g4a s VAL 66 CO -0.12 0.47 -0.11 -0.75 0.00 0.00 0.00 175.10 174.59 3g4a s LYS 67 N -0.05 3.24 0.11 2.72 2.20 -0.28 -0.79 119.74 126.90 3g4a s LYS 67 Ca -0.03 -0.70 -0.20 0.00 -0.36 0.00 0.00 55.97 54.68 3g4a s LYS 67 Cb -0.12 -2.81 0.05 0.00 -1.51 0.00 0.00 37.83 33.43 3g4a s LYS 67 CO 0.03 -0.16 0.49 0.00 -0.36 0.00 0.00 175.35 175.34 3g4a s ALA 68 N 1.29 -1.22 0.44 3.13 0.00 0.29 -2.25 121.76 123.44 3g4a s ALA 68 Ca 0.04 0.27 -0.23 0.00 0.00 0.00 0.00 51.96 52.04 3g4a s ALA 68 Cb -0.14 0.66 -0.08 0.00 0.00 0.00 0.00 23.12 23.56 3g4a s ALA 68 CO -0.06 -0.64 1.10 -1.25 0.00 0.00 0.00 175.76 174.91 3g4a s PRO 69 N -3.42 3.92 0.26 0.00 0.05 -1.26 0.93 135.00 135.48 3g4a s PRO 69 Ca 0.00 1.61 -0.02 0.00 0.05 0.00 0.00 61.00 62.64 3g4a s PRO 69 Cb 0.00 -2.42 0.49 0.00 0.05 0.00 0.00 34.50 32.63 3g4a s PRO 69 CO -0.10 -0.37 1.78 0.82 0.05 0.00 0.00 177.00 179.18 3g4a h ILE 70 N 1.95 0.78 -0.24 0.56 2.04 -0.67 0.13 117.51 122.06 3g4a h ILE 70 Ca -0.49 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 65.18 3g4a h ILE 70 Cb 1.23 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3g4a h ILE 70 CO 0.61 0.12 0.17 2.19 0.00 0.00 0.00 178.15 181.24 3g4a h PHE 71 N 0.67 0.15 -0.06 1.37 -0.00 -1.46 0.14 116.94 117.76 3g4a h PHE 71 Ca 0.44 0.00 -0.11 0.00 -0.00 0.00 0.00 57.97 58.31 3g4a h PHE 71 Cb 0.57 -0.05 0.01 0.00 -0.00 0.00 0.00 35.95 36.48 3g4a h PHE 71 CO -0.08 0.09 -0.40 0.28 -0.00 0.00 0.00 178.31 178.19 3g4a h VAL 72 N 0.16 1.42 -0.59 0.88 2.07 -1.11 -3.25 116.25 115.82 3g4a h VAL 72 Ca 0.11 -1.82 -0.00 0.00 0.82 0.00 0.00 66.70 65.81 3g4a h VAL 72 Cb 0.23 2.36 -0.03 0.00 -1.52 0.00 0.00 31.29 32.33 3g4a h VAL 72 CO -0.02 0.53 0.36 0.00 0.02 0.00 0.00 177.57 178.46 3g4a h ALA 73 N 0.41 1.53 -0.53 1.67 0.00 -0.51 -0.66 119.26 121.18 3g4a h ALA 73 Ca -0.03 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3g4a h ALA 73 Cb 1.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3g4a h ALA 73 CO 0.08 0.42 0.01 0.00 0.00 0.00 0.00 179.25 179.76 3g4a h ARG 74 N 0.81 0.88 -0.35 0.00 3.08 -1.08 0.99 114.38 118.71 3g4a h ARG 74 Ca 0.21 -0.24 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 3g4a h ARG 74 Cb -0.04 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3g4a h ARG 74 CO -0.04 0.87 -0.05 1.96 -1.07 0.00 0.00 179.97 181.63 3g4a h GLN 75 N 0.82 0.65 -0.11 0.04 4.20 -1.40 -3.29 115.11 116.03 3g4a h GLN 75 Ca 0.16 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 3g4a h GLN 75 Cb 0.47 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 3g4a h GLN 75 CO 0.02 0.80 0.05 2.35 -0.67 0.00 0.00 178.83 181.38 3g4a h TRP 76 N 0.45 0.16 0.00 2.96 2.91 -0.69 -2.34 115.95 119.40 3g4a h TRP 76 Ca 0.09 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.10 3g4a h TRP 76 Cb 0.54 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.14 3g4a h TRP 76 CO 0.05 0.22 0.00 1.19 -1.03 0.00 0.00 178.44 178.86 3g4a n PHE 77 N -4.94 0.00 0.93 2.65 3.01 0.30 -1.38 117.46 118.04 3g4a n PHE 77 Ca -0.05 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.53 3g4a n PHE 77 Cb 0.09 -0.09 0.56 0.00 -0.01 0.00 0.00 39.48 40.04 3g4a n PHE 77 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3g4a n ARG 78 N -1.09 0.05 -2.61 -1.08 5.12 -0.88 -4.47 116.66 111.70 3g4a n ARG 78 Ca 0.07 0.06 -0.41 0.00 -1.93 0.00 0.00 57.85 55.63 3g4a n ARG 78 Cb 0.05 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 29.82 3g4a n ARG 78 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 3g4a s HIS 79 N -2.94 2.40 -0.26 -1.55 3.76 -0.48 -4.86 115.29 111.36 3g4a s HIS 79 Ca 0.14 -0.28 0.18 0.00 -0.15 0.00 0.00 55.06 54.95 3g4a s HIS 79 Cb 0.17 -4.57 0.18 0.00 1.11 0.00 0.00 32.58 29.47 3g4a s HIS 79 CO 0.46 -1.97 1.51 0.00 -0.85 0.00 0.00 174.74 173.89 3g4a h ARG 80 N 9.89 0.00 -4.21 1.40 3.08 -1.88 -3.39 114.38 119.27 3g4a h ARG 80 Ca -0.21 0.00 -0.76 0.00 0.07 0.00 0.00 59.98 59.08 3g4a h ARG 80 Cb 1.05 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.87 3g4a h ARG 80 CO 1.28 0.31 0.89 0.42 -1.07 0.00 0.00 179.97 181.79 3g4a s ILE 81 N -3.06 5.47 0.00 2.04 -1.09 -1.26 -4.79 121.20 118.50 3g4a s ILE 81 Ca 0.05 -2.93 0.00 0.00 -2.23 0.00 0.00 60.65 55.54 3g4a s ILE 81 Cb 0.07 -4.76 0.00 0.00 -1.58 0.00 0.00 42.46 36.19 3g4a s ILE 81 CO 0.71 -1.40 0.00 0.00 -1.23 0.00 0.00 174.94 173.02 3g4a n ALA 82 N 4.33 0.00 -2.55 9.38 0.00 -1.26 -4.70 120.51 125.70 3g4a n ALA 82 Ca 0.30 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.51 3g4a n ALA 82 Cb 0.42 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.72 3g4a n ALA 82 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3g4a s SER 83 N 0.00 1.99 -0.00 0.00 0.01 0.81 -4.99 113.70 111.52 3g4a s SER 83 Ca 0.00 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 56.85 3g4a s SER 83 Cb 0.00 -0.17 -0.00 0.00 0.21 0.00 0.00 66.02 66.05 3g4a s SER 83 CO 0.00 0.13 -0.05 -0.31 0.41 0.00 0.00 173.24 173.42 3g4a s TYR 84 N -0.67 0.41 -0.02 2.43 2.02 -1.26 -0.85 117.35 119.40 3g4a s TYR 84 Ca 0.05 -0.10 -0.00 0.00 -0.37 0.00 0.00 57.07 56.64 3g4a s TYR 84 Cb -0.08 -0.26 0.03 0.00 -0.40 0.00 0.00 41.96 41.25 3g4a s TYR 84 CO 0.01 -0.01 0.03 -0.80 -1.57 0.00 0.00 175.55 173.21 3g4a s ASN 85 N -0.20 0.26 0.02 2.29 0.01 -0.80 -4.97 114.94 111.55 3g4a s ASN 85 Ca 0.01 0.05 0.06 0.00 -0.71 0.00 0.00 52.86 52.26 3g4a s ASN 85 Cb -0.02 -0.08 -0.02 0.00 0.41 0.00 0.00 41.25 41.53 3g4a s ASN 85 CO -0.00 -0.15 -0.17 -0.70 -1.51 0.00 0.00 177.10 174.56 3g4a s GLU 86 N 1.27 1.25 0.19 -0.60 2.12 -1.26 -0.21 118.70 121.46 3g4a s GLU 86 Ca -0.07 -0.77 -0.33 0.00 0.36 0.00 0.00 54.97 54.17 3g4a s GLU 86 Cb -0.13 -1.28 -0.14 0.00 0.26 0.00 0.00 34.13 32.85 3g4a s GLU 86 CO -0.03 0.33 1.48 -0.11 -0.54 0.00 0.00 175.26 176.40 3g4a n LEU 87 N 2.15 3.03 -4.56 2.70 7.94 -0.66 -4.96 117.00 122.64 3g4a n LEU 87 Ca -0.16 1.11 -0.39 0.00 -1.11 0.00 0.00 56.01 55.45 3g4a n LEU 87 Cb 0.54 -1.42 -0.10 0.00 0.53 0.00 0.00 43.42 42.97 3g4a n LEU 87 CO 0.23 -0.42 -0.08 0.00 -1.11 0.00 0.00 177.39 176.01 3g4a s ALA 88 N 0.43 3.52 0.43 1.96 0.00 -1.26 -4.86 121.76 121.98 3g4a s ALA 88 Ca 0.74 -1.16 0.32 0.00 0.00 0.00 0.00 51.96 51.86 3g4a s ALA 88 Cb -0.68 -2.64 1.68 0.00 0.00 0.00 0.00 23.12 21.48 3g4a s ALA 88 CO 0.44 -0.79 2.14 0.78 0.00 0.00 0.00 175.76 178.32 3g4a h GLY 89 N 8.51 0.00 2.00 0.00 0.00 -1.93 -1.47 103.07 110.18 3g4a h GLY 89 Ca -0.32 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.89 3g4a h GLY 89 CO 0.62 0.00 -0.57 3.21 0.00 0.00 0.00 176.54 179.79 3g4a h ARG 90 N 0.00 0.00 0.00 4.80 3.08 -1.93 -3.37 114.38 116.96 3g4a h ARG 90 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3g4a h ARG 90 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 3g4a h ARG 90 CO 0.01 0.57 -1.26 0.66 -1.07 0.00 0.00 179.97 178.88 3g4a n TYR 91 N -3.67 0.00 -4.73 3.04 4.01 -1.10 -4.22 117.16 110.48 3g4a n TYR 91 Ca -0.01 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.42 3g4a n TYR 91 Cb 0.61 -0.14 -0.12 0.00 -0.31 0.00 0.00 39.34 39.37 3g4a n TYR 91 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3g4a s SER 92 N -2.77 4.03 -0.02 7.72 1.04 -0.57 -5.09 113.70 118.05 3g4a s SER 92 Ca -0.02 -0.28 -0.30 0.00 0.48 0.00 0.00 55.95 55.83 3g4a s SER 92 Cb 0.03 -0.79 -0.06 0.00 0.10 0.00 0.00 66.02 65.30 3g4a s SER 92 CO 0.22 0.30 1.54 -0.75 0.98 0.00 0.00 173.24 175.53 3g4a s LYS 93 N -1.14 4.22 0.19 4.02 2.20 -1.26 -4.64 119.74 123.34 3g4a s LYS 93 Ca 0.14 2.10 -0.30 0.00 -0.36 0.00 0.00 55.97 57.55 3g4a s LYS 93 Cb -0.11 -3.75 -0.08 0.00 -1.51 0.00 0.00 37.83 32.39 3g4a s LYS 93 CO 0.04 -0.72 0.95 -0.51 -0.36 0.00 0.00 175.35 174.75 3g4a s LEU 94 N 3.15 4.59 0.39 5.43 1.43 -1.26 -5.02 118.68 127.39 3g4a s LEU 94 Ca 0.69 1.91 -0.24 0.00 -1.03 0.00 0.00 54.13 55.45 3g4a s LEU 94 Cb -0.33 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.19 3g4a s LEU 94 CO 0.28 0.07 1.02 -0.44 0.23 0.00 0.00 176.35 177.51 3g4a s SER 95 N -0.73 6.86 -0.59 2.29 0.01 -1.26 -4.93 113.70 115.33 3g4a s SER 95 Ca 0.43 1.97 -0.24 0.00 1.31 0.00 0.00 55.95 59.42 3g4a s SER 95 Cb -0.25 -2.58 -0.21 0.00 0.21 0.00 0.00 66.02 63.19 3g4a s SER 95 CO 0.32 -0.42 1.85 0.00 0.41 0.00 0.00 173.24 175.39 3g4a n TYR 96 N -0.04 1.43 -3.75 2.43 9.36 -1.26 -4.80 117.16 120.54 3g4a n TYR 96 Ca 0.05 -1.48 -0.24 0.00 3.32 0.00 0.00 57.90 59.55 3g4a n TYR 96 Cb 0.50 -1.50 -0.17 0.00 -0.63 0.00 0.00 39.34 37.54 3g4a n TYR 96 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 3g4a s GLU 97 N 5.52 0.54 0.03 2.98 2.02 -1.26 -5.11 118.70 123.42 3g4a s GLU 97 Ca 0.60 -0.00 0.02 0.00 0.02 0.00 0.00 54.97 55.61 3g4a s GLU 97 Cb 0.14 -1.25 -0.02 0.00 0.10 0.00 0.00 34.13 33.10 3g4a s GLU 97 CO 0.17 -0.40 -0.07 -0.06 0.02 0.00 0.00 175.26 174.92 3g4a s PHE 98 N 1.97 0.63 -0.23 1.61 0.40 -1.26 -0.69 117.98 120.41 3g4a s PHE 98 Ca 0.04 -0.37 -0.24 0.00 -0.60 0.00 0.00 56.93 55.76 3g4a s PHE 98 Cb -0.14 -0.38 -0.01 0.00 0.51 0.00 0.00 43.02 43.00 3g4a s PHE 98 CO -0.06 -0.06 0.78 -0.47 0.70 0.00 0.00 175.22 176.11 3g4a s TYR 99 N -0.99 3.33 -0.27 0.36 5.04 0.32 -4.92 117.35 120.23 3g4a s TYR 99 Ca -0.06 1.09 -0.00 0.00 -2.44 0.00 0.00 57.07 55.66 3g4a s TYR 99 Cb -0.08 -2.99 0.04 0.00 0.35 0.00 0.00 41.96 39.29 3g4a s TYR 99 CO 0.00 -0.34 -0.06 0.42 -1.34 0.00 0.00 175.55 174.23 3g4a s ILE 100 N 2.57 2.64 0.55 3.14 -1.09 -1.26 -4.86 121.20 122.89 3g4a s ILE 100 Ca 0.33 -1.33 -0.21 0.00 -2.23 0.00 0.00 60.65 57.21 3g4a s ILE 100 Cb -0.16 -2.45 -0.06 0.00 -1.58 0.00 0.00 42.46 38.21 3g4a s ILE 100 CO 0.09 0.04 1.19 -2.65 -1.23 0.00 0.00 174.94 172.38 3g4a n PRO 101 N 4.58 1.38 -2.03 2.79 -0.02 -1.26 -4.91 135.00 135.53 3g4a n PRO 101 Ca -0.15 0.51 -0.32 0.00 -2.02 0.00 0.00 63.50 61.52 3g4a n PRO 101 Cb 0.44 -2.37 0.01 0.00 -0.02 0.00 0.00 33.50 31.56 3g4a n PRO 101 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3g4a s SER 102 N -1.00 5.85 0.40 2.55 1.04 -1.26 -4.73 113.70 116.55 3g4a s SER 102 Ca 0.72 1.75 0.17 0.00 0.48 0.00 0.00 55.95 59.07 3g4a s SER 102 Cb -0.44 -2.52 1.06 0.00 0.10 0.00 0.00 66.02 64.22 3g4a s SER 102 CO 0.49 -1.12 1.83 -0.65 0.98 0.00 0.00 173.24 174.77 3g4a h PRO 103 N 0.35 0.43 0.00 4.02 0.11 -1.94 -0.92 132.00 134.05 3g4a h PRO 103 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3g4a h PRO 103 Cb 1.21 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3g4a h PRO 103 CO 0.58 0.28 -0.02 1.49 -0.21 0.00 0.00 178.00 180.12 3g4a h GLU 104 N 0.44 0.00 -0.57 1.05 4.22 -1.94 -1.71 114.58 116.06 3g4a h GLU 104 Ca 0.50 0.00 0.05 0.00 0.08 0.00 0.00 59.36 60.00 3g4a h GLU 104 Cb 1.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 3g4a h GLU 104 CO -0.21 0.02 0.38 -0.09 -2.18 0.00 0.00 179.01 176.93 3g4a h ARG 105 N 0.00 0.55 -0.01 1.92 9.65 -1.52 -3.14 114.38 121.83 3g4a h ARG 105 Ca -0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3g4a h ARG 105 Cb 0.32 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 3g4a h ARG 105 CO 0.00 0.36 -0.34 1.28 2.80 0.00 0.00 179.97 184.08 3g4a n LEU 106 N -4.47 1.39 -4.75 3.80 4.77 -0.70 -4.94 117.00 112.09 3g4a n LEU 106 Ca 0.08 -0.73 -0.41 0.00 -0.03 0.00 0.00 56.01 54.91 3g4a n LEU 106 Cb 0.22 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 3g4a n LEU 106 CO 0.34 0.27 1.20 -1.61 -1.33 0.00 0.00 177.39 176.27 3g4a s GLU 107 N -1.80 4.16 0.00 3.23 8.01 -0.89 -1.94 118.70 129.46 3g4a s GLU 107 Ca 0.11 2.51 0.00 0.00 0.01 0.00 0.00 54.97 57.60 3g4a s GLU 107 Cb 0.11 -3.04 0.00 0.00 -4.31 0.00 0.00 34.13 26.89 3g4a s GLU 107 CO 0.38 -0.57 0.00 0.41 0.01 0.00 0.00 175.26 175.49 3g4a n GLY 108 N 2.02 3.18 3.67 -1.39 0.00 -1.26 -5.00 105.19 106.40 3g4a n GLY 108 Ca 0.07 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 3g4a n GLY 108 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g4a s TYR 109 N -0.13 3.02 -0.28 1.61 2.02 -0.82 -4.97 117.35 117.81 3g4a s TYR 109 Ca 0.00 1.14 -0.29 0.00 -0.37 0.00 0.00 57.07 57.55 3g4a s TYR 109 Cb 0.00 -3.44 -0.02 0.00 -0.40 0.00 0.00 41.96 38.10 3g4a s TYR 109 CO 0.00 -1.41 1.67 0.21 -1.57 0.00 0.00 175.55 174.45 3g4a s LYS 110 N 3.03 3.61 0.16 -0.62 2.36 -1.26 -4.98 119.74 122.04 3g4a s LYS 110 Ca 0.54 1.52 0.10 0.00 -2.55 0.00 0.00 55.97 55.58 3g4a s LYS 110 Cb -0.22 -4.09 -0.04 0.00 -1.05 0.00 0.00 37.83 32.43 3g4a s LYS 110 CO 0.16 -1.52 -0.20 0.95 1.55 0.00 0.00 175.35 176.29 3g4a s THR 111 N 5.83 2.63 -0.80 3.43 -4.23 -1.26 -5.04 115.64 116.20 3g4a s THR 111 Ca 0.74 -1.76 0.27 0.00 -1.18 0.00 0.00 61.69 59.76 3g4a s THR 111 Cb -0.23 -2.23 0.24 0.00 1.34 0.00 0.00 72.50 71.61 3g4a s THR 111 CO 0.31 -0.01 1.75 0.35 -0.54 0.00 0.00 174.62 176.48 3g4a n THR 112 N 0.51 0.40 -4.39 3.99 -2.24 -1.26 -4.79 114.28 106.49 3g4a n THR 112 Ca -0.14 -0.20 -0.25 0.00 -2.27 0.00 0.00 64.05 61.19 3g4a n THR 112 Cb 0.54 -0.48 -0.11 0.00 -2.10 0.00 0.00 70.33 68.18 3g4a n THR 112 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3g4a s ILE 113 N -3.08 2.15 0.30 2.28 -4.36 -1.26 -5.11 121.20 112.12 3g4a s ILE 113 Ca 0.11 -2.01 -0.29 0.00 -0.26 0.00 0.00 60.65 58.20 3g4a s ILE 113 Cb 0.14 -2.02 -0.13 0.00 1.25 0.00 0.00 42.46 41.70 3g4a s ILE 113 CO 0.60 -0.21 1.32 -2.65 0.24 0.00 0.00 174.94 174.23 3g4a n PRO 114 N 0.23 2.04 -0.35 0.37 -0.02 -1.26 -4.87 135.00 131.14 3g4a n PRO 114 Ca -0.12 0.72 0.13 0.00 -2.02 0.00 0.00 63.50 62.20 3g4a n PRO 114 Cb 0.57 -2.31 0.32 0.00 -0.02 0.00 0.00 33.50 32.06 3g4a n PRO 114 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3g4a h PRO 115 N 3.16 0.75 -0.93 0.52 0.11 -1.95 0.12 132.00 133.79 3g4a h PRO 115 Ca -0.45 -0.05 0.24 0.00 0.11 0.00 0.00 66.00 65.86 3g4a h PRO 115 Cb 1.28 -0.17 -0.13 0.00 0.11 0.00 0.00 31.00 32.09 3g4a h PRO 115 CO 0.68 0.50 0.43 0.93 -0.21 0.00 0.00 178.00 180.32 3g4a h GLU 116 N 0.78 0.38 -0.06 1.05 3.07 -1.90 -0.12 114.58 117.76 3g4a h GLU 116 Ca 0.56 -0.02 -0.16 0.00 -0.50 0.00 0.00 59.36 59.24 3g4a h GLU 116 Cb 0.86 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.68 3g4a h GLU 116 CO -0.35 0.25 -0.67 -0.09 -1.40 0.00 0.00 179.01 176.75 3g4a h ARG 117 N 0.39 0.28 -0.38 2.33 1.12 -1.12 -1.86 114.38 115.14 3g4a h ARG 117 Ca 0.60 -0.21 -0.01 0.00 -1.11 0.00 0.00 59.98 59.25 3g4a h ARG 117 Cb 1.20 0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 31.18 3g4a h ARG 117 CO -0.55 0.85 0.22 0.28 -3.11 0.00 0.00 179.97 177.65 3g4a h VAL 118 N 0.20 1.14 -0.29 0.20 2.07 -0.63 0.20 116.25 119.14 3g4a h VAL 118 Ca -0.02 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.21 3g4a h VAL 118 Cb 1.21 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 3g4a h VAL 118 CO 0.11 0.14 -0.01 0.74 0.02 0.00 0.00 177.57 178.56 3g4a h THR 119 N 0.49 0.77 -0.35 2.57 2.02 -1.00 -1.78 112.91 115.63 3g4a h THR 119 Ca 0.14 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.31 3g4a h THR 119 Cb 0.04 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 3g4a h THR 119 CO -0.02 0.01 0.21 -0.08 0.37 0.00 0.00 175.52 176.01 3g4a h GLU 120 N 0.07 0.42 -0.66 6.66 4.81 -0.90 -0.43 114.58 124.54 3g4a h GLU 120 Ca 0.14 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3g4a h GLU 120 Cb 0.19 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 3g4a h GLU 120 CO -0.25 0.28 0.41 0.87 -0.73 0.00 0.00 179.01 179.59 3g4a h LYS 121 N 0.43 0.78 -0.34 1.92 1.79 -0.47 -0.42 116.57 120.25 3g4a h LYS 121 Ca 0.14 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.52 3g4a h LYS 121 Cb -0.01 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.45 3g4a h LYS 121 CO -0.06 0.52 0.07 0.82 -1.08 0.00 0.00 179.45 179.72 3g4a h ILE 122 N 0.80 1.23 -0.57 1.86 2.04 -1.09 -2.83 117.51 118.95 3g4a h ILE 122 Ca 0.26 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 3g4a h ILE 122 Cb 0.02 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 3g4a h ILE 122 CO -0.11 0.26 0.17 -1.28 0.00 0.00 0.00 178.15 177.20 3g4a h SER 123 N 0.40 0.80 -0.21 1.72 0.87 -0.76 -2.28 113.55 114.09 3g4a h SER 123 Ca 0.11 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 3g4a h SER 123 Cb 0.32 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3g4a h SER 123 CO 0.00 0.76 0.13 -0.08 -0.53 0.00 0.00 176.83 177.11 3g4a h GLU 124 N 0.84 0.28 -0.32 2.24 4.81 -0.99 -1.42 114.58 120.01 3g4a h GLU 124 Ca 0.19 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.23 3g4a h GLU 124 Cb 0.25 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 3g4a h GLU 124 CO -0.01 0.20 -0.46 -0.84 -0.73 0.00 0.00 179.01 177.18 3g4a h ILE 125 N 0.27 1.28 -0.27 2.32 3.07 -1.31 -1.89 117.51 120.97 3g4a h ILE 125 Ca 0.08 -1.64 0.06 0.00 1.55 0.00 0.00 64.86 64.91 3g4a h ILE 125 Cb -0.01 1.51 -0.07 0.00 -0.27 0.00 0.00 36.82 37.99 3g4a h ILE 125 CO -0.02 0.54 -0.21 0.58 -1.05 0.00 0.00 178.15 178.00 3g4a h VAL 126 N 0.69 0.45 -0.74 0.16 2.07 -1.35 0.15 116.25 117.67 3g4a h VAL 126 Ca 0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 3g4a h VAL 126 Cb 1.05 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 3g4a h VAL 126 CO 0.11 0.00 0.44 -0.78 0.02 0.00 0.00 177.57 177.35 3g4a h ASP 127 N -0.19 0.89 -0.14 0.57 3.58 -1.14 0.73 116.42 120.73 3g4a h ASP 127 Ca 0.15 -0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 3g4a h ASP 127 Cb 0.42 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 3g4a h ASP 127 CO -0.38 0.70 0.02 0.11 -2.88 0.00 0.00 179.24 176.80 3g4a h LYS 128 N 1.01 0.23 -0.39 0.28 1.57 -0.87 -1.97 116.57 116.43 3g4a h LYS 128 Ca 0.26 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3g4a h LYS 128 Cb -0.02 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3g4a h LYS 128 CO -0.05 0.42 0.25 0.00 -0.57 0.00 0.00 179.45 179.51 3g4a h ALA 129 N 0.79 0.49 -0.88 3.86 0.00 -0.46 -2.36 119.26 120.71 3g4a h ALA 129 Ca 0.04 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3g4a h ALA 129 Cb 0.31 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3g4a h ALA 129 CO 0.00 -0.04 0.58 -0.92 0.00 0.00 0.00 179.25 178.87 3g4a h TYR 130 N 0.52 1.06 -0.56 0.00 3.20 -0.80 -0.87 116.97 119.52 3g4a h TYR 130 Ca 0.14 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 3g4a h TYR 130 Cb -0.05 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 37.84 3g4a h TYR 130 CO -0.05 0.62 0.11 -0.09 -1.64 0.00 0.00 178.16 177.12 3g4a h ARG 131 N 1.11 0.92 -0.10 1.82 2.43 -0.96 -1.17 114.38 118.42 3g4a h ARG 131 Ca 0.35 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3g4a h ARG 131 Cb 0.01 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3g4a h ARG 131 CO -0.10 0.87 0.01 1.15 -1.51 0.00 0.00 179.97 180.40 3g4a h THR 132 N 0.82 1.22 -0.59 0.20 2.02 -1.00 -0.41 112.91 115.17 3g4a h THR 132 Ca 0.17 -0.69 0.10 0.00 0.77 0.00 0.00 66.41 66.76 3g4a h THR 132 Cb 0.39 1.49 -0.11 0.00 -1.74 0.00 0.00 68.15 68.17 3g4a h THR 132 CO 0.01 0.20 -0.36 0.22 0.37 0.00 0.00 175.52 175.95 3g4a h TYR 133 N -0.07 -1.02 -0.75 3.16 3.20 -1.03 0.13 116.97 120.59 3g4a h TYR 133 Ca 0.03 0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 3g4a h TYR 133 Cb 0.29 0.53 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 3g4a h TYR 133 CO 0.02 -0.39 0.26 -0.07 -1.64 0.00 0.00 178.16 176.33 3g4a h LEU 134 N -0.18 1.07 -0.20 2.82 3.38 -0.99 -1.08 115.31 120.14 3g4a h LEU 134 Ca 0.22 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3g4a h LEU 134 Cb 0.56 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3g4a h LEU 134 CO -0.68 0.98 0.06 -0.33 0.09 0.00 0.00 178.44 178.56 3g4a h GLU 135 N 1.10 0.15 -0.24 1.13 5.08 -0.36 0.22 114.58 121.66 3g4a h GLU 135 Ca 0.24 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3g4a h GLU 135 Cb 0.28 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3g4a h GLU 135 CO -0.01 0.10 0.13 -0.07 -1.00 0.00 0.00 179.01 178.16 3g4a h LEU 136 N 0.15 0.29 -0.13 1.33 3.38 -0.47 0.31 115.31 120.17 3g4a h LEU 136 Ca 0.09 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3g4a h LEU 136 Cb 0.06 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3g4a h LEU 136 CO -0.09 0.28 -0.20 0.40 0.09 0.00 0.00 178.44 178.92 3g4a h ILE 137 N 0.28 0.50 -0.86 1.22 1.08 -1.06 -1.06 117.51 117.60 3g4a h ILE 137 Ca 0.08 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.71 3g4a h ILE 137 Cb 0.05 0.50 -0.07 0.00 -3.07 0.00 0.00 36.82 34.24 3g4a h ILE 137 CO -0.01 0.00 0.56 -0.33 -0.69 0.00 0.00 178.15 177.68 3g4a h GLU 138 N -0.25 0.54 0.00 2.37 3.07 -0.63 -0.79 114.58 118.89 3g4a h GLU 138 Ca 0.10 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 3g4a h GLU 138 Cb 0.39 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 3g4a h GLU 138 CO -0.28 0.36 0.00 0.77 -1.40 0.00 0.00 179.01 178.46 3g4a h SER 139 N 0.56 0.00 0.00 1.42 0.02 0.31 -3.46 113.55 112.40 3g4a h SER 139 Ca 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 3g4a h SER 139 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.40 3g4a h SER 139 CO -0.18 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.12 3g4a n GLY 140 N -0.12 0.89 3.71 -3.77 0.00 -0.30 -5.07 105.19 100.52 3g4a n GLY 140 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3g4a n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g4a s VAL 141 N -2.00 4.07 0.24 1.61 1.01 -0.75 -4.95 120.40 119.63 3g4a s VAL 141 Ca 0.00 1.47 -0.28 0.00 0.00 0.00 0.00 61.98 63.17 3g4a s VAL 141 Cb 0.00 -3.94 -0.16 0.00 0.00 0.00 0.00 36.38 32.28 3g4a s VAL 141 CO 0.00 0.08 0.73 -2.65 0.00 0.00 0.00 175.10 173.26 3g4a n PRO 142 N 4.27 0.59 -0.29 2.72 -0.02 -1.26 -4.31 135.00 136.70 3g4a n PRO 142 Ca 0.10 0.21 0.04 0.00 -2.02 0.00 0.00 63.50 61.83 3g4a n PRO 142 Cb 0.46 -1.37 0.19 0.00 -0.02 0.00 0.00 33.50 32.76 3g4a n PRO 142 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g4a h ARG 143 N 1.42 0.67 -0.12 -0.52 3.08 -1.89 0.33 114.38 117.35 3g4a h ARG 143 Ca -0.33 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 59.71 3g4a h ARG 143 Cb 1.40 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 3g4a h ARG 143 CO 0.58 0.44 0.10 1.05 -1.07 0.00 0.00 179.97 181.08 3g4a h GLU 144 N 0.69 0.00 0.02 0.04 4.11 -1.75 -1.31 114.58 116.38 3g4a h GLU 144 Ca 0.42 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.53 3g4a h GLU 144 Cb 0.49 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 3g4a h GLU 144 CO -0.30 0.00 -1.76 0.28 0.07 0.00 0.00 179.01 177.30 3g4a n VAL 145 N -4.26 1.58 -0.27 -1.06 0.31 -0.79 -4.31 118.33 109.53 3g4a n VAL 145 Ca -0.00 -0.26 0.11 0.00 -0.01 0.00 0.00 64.34 64.18 3g4a n VAL 145 Cb 0.22 -1.91 0.36 0.00 -0.91 0.00 0.00 33.84 31.60 3g4a n VAL 145 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g4a h ALA 146 N -0.46 1.78 0.00 3.52 0.00 -0.76 -1.68 119.26 121.66 3g4a h ALA 146 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3g4a h ALA 146 Cb 1.55 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3g4a h ALA 146 CO -0.19 -0.01 0.00 2.89 0.00 0.00 0.00 179.25 181.94 3g4a n ARG 147 N -4.55 0.18 0.13 0.00 -4.01 -0.51 -3.43 116.66 104.46 3g4a n ARG 147 Ca 0.16 0.13 0.12 0.00 -1.04 0.00 0.00 57.85 57.22 3g4a n ARG 147 Cb 0.42 -1.50 0.49 0.00 -3.04 0.00 0.00 32.46 28.83 3g4a n ARG 147 CO 0.00 0.00 0.00 0.44 -3.04 0.00 0.00 177.63 175.03 3g4a n ILE 148 N -1.36 0.87 1.20 8.89 -5.35 -0.63 -1.37 119.36 121.60 3g4a n ILE 148 Ca 0.08 0.29 0.14 0.00 -0.27 0.00 0.00 62.75 62.98 3g4a n ILE 148 Cb 0.18 -1.22 0.52 0.00 -1.74 0.00 0.00 39.64 37.38 3g4a n ILE 148 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 3g4a n VAL 149 N -2.21 0.00 -2.64 7.28 0.24 -1.22 -4.89 118.33 114.89 3g4a n VAL 149 Ca 0.02 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.34 61.88 3g4a n VAL 149 Cb 0.20 -0.10 -0.04 0.00 -1.47 0.00 0.00 33.84 32.43 3g4a n VAL 149 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3g4a s LEU 150 N -2.73 4.52 0.81 1.34 1.43 -0.47 -4.84 118.68 118.74 3g4a s LEU 150 Ca 0.21 1.95 -0.12 0.00 -1.03 0.00 0.00 54.13 55.14 3g4a s LEU 150 Cb 0.19 -3.60 0.08 0.00 0.03 0.00 0.00 46.19 42.89 3g4a s LEU 150 CO 0.54 -0.10 1.10 -2.16 0.23 0.00 0.00 176.35 175.97 3g4a s PRO 151 N -0.38 1.95 0.56 1.29 0.04 -1.26 -4.94 135.00 132.27 3g4a s PRO 151 Ca 0.47 0.60 0.38 0.00 0.04 0.00 0.00 61.00 62.48 3g4a s PRO 151 Cb -0.26 -1.91 1.95 0.00 0.04 0.00 0.00 34.50 34.32 3g4a s PRO 151 CO 0.33 -1.71 2.14 -0.07 0.04 0.00 0.00 177.00 177.73 3g4a h LEU 152 N -1.15 0.00 -0.62 -3.56 3.38 -1.99 -2.24 115.31 109.13 3g4a h LEU 152 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3g4a h LEU 152 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3g4a h LEU 152 CO 0.59 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.66 3g4a n ASN 153 N -2.88 0.93 -4.71 -0.43 6.94 -1.26 -1.22 115.26 112.63 3g4a n ASN 153 Ca -0.02 -1.57 -0.43 0.00 -0.02 0.00 0.00 54.58 52.53 3g4a n ASN 153 Cb 0.11 -0.06 -0.02 0.00 -2.36 0.00 0.00 39.78 37.46 3g4a n ASN 153 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 3g4a n LEU 154 N -0.17 3.68 -4.73 -4.53 7.94 -0.84 -0.52 117.00 117.83 3g4a n LEU 154 Ca 0.15 1.15 -0.41 0.00 -1.11 0.00 0.00 56.01 55.79 3g4a n LEU 154 Cb 0.21 -1.50 -0.04 0.00 0.53 0.00 0.00 43.42 42.62 3g4a n LEU 154 CO 0.12 -0.20 0.63 -0.31 -1.11 0.00 0.00 177.39 176.51 3g4a s TYR 155 N -0.07 3.79 0.43 1.96 2.02 0.14 -0.63 117.35 124.99 3g4a s TYR 155 Ca 0.66 1.73 0.06 0.00 -0.37 0.00 0.00 57.07 59.15 3g4a s TYR 155 Cb -0.58 -3.01 -0.06 0.00 -0.40 0.00 0.00 41.96 37.91 3g4a s TYR 155 CO 0.50 0.21 0.02 -0.08 -1.57 0.00 0.00 175.55 174.63 3g4a s THR 156 N 0.02 1.82 -0.01 -0.71 -1.32 0.26 -4.89 115.64 110.80 3g4a s THR 156 Ca 0.45 -1.98 0.01 0.00 -1.21 0.00 0.00 61.69 58.97 3g4a s THR 156 Cb -0.23 -2.80 0.01 0.00 -1.51 0.00 0.00 72.50 67.97 3g4a s THR 156 CO 0.28 0.00 -0.03 -0.60 -2.21 0.00 0.00 174.62 172.06 3g4a s ARG 157 N -3.76 0.38 0.07 7.08 3.52 -1.26 -0.55 118.95 124.43 3g4a s ARG 157 Ca 0.29 -0.09 -0.09 0.00 -0.13 0.00 0.00 55.73 55.72 3g4a s ARG 157 Cb 0.08 -0.42 -0.00 0.00 -1.56 0.00 0.00 34.95 33.04 3g4a s ARG 157 CO 0.15 0.01 0.18 -0.59 -0.81 0.00 0.00 175.30 174.24 3g4a s PHE 158 N 0.31 0.14 -0.05 5.12 -0.71 0.03 -1.66 117.98 121.16 3g4a s PHE 158 Ca -0.03 -0.52 -0.15 0.00 -1.04 0.00 0.00 56.93 55.19 3g4a s PHE 158 Cb -0.06 -0.06 -0.05 0.00 -1.21 0.00 0.00 43.02 41.63 3g4a s PHE 158 CO -0.01 -0.51 0.40 -0.06 -1.34 0.00 0.00 175.22 173.71 3g4a s PHE 159 N -3.52 3.64 -0.15 3.49 0.40 0.70 -0.81 117.98 121.74 3g4a s PHE 159 Ca 0.02 0.90 0.00 0.00 -0.60 0.00 0.00 56.93 57.25 3g4a s PHE 159 Cb 0.03 -2.35 0.02 0.00 0.51 0.00 0.00 43.02 41.24 3g4a s PHE 159 CO -0.09 0.48 -0.13 -0.46 0.70 0.00 0.00 175.22 175.72 3g4a s TRP 160 N -0.45 2.09 -0.20 0.36 -0.00 0.16 -1.90 118.94 118.99 3g4a s TRP 160 Ca 0.23 -1.18 -0.01 0.00 -0.00 0.00 0.00 56.10 55.13 3g4a s TRP 160 Cb -0.16 -1.54 0.01 0.00 -0.00 0.00 0.00 33.47 31.78 3g4a s TRP 160 CO 0.11 -0.65 -0.13 0.99 -0.00 0.00 0.00 176.95 177.26 3g4a s THR 161 N 1.51 2.59 -0.06 5.86 2.01 -0.03 -0.30 115.64 127.22 3g4a s THR 161 Ca 0.04 -0.78 -0.09 0.00 0.31 0.00 0.00 61.69 61.18 3g4a s THR 161 Cb -0.13 -2.15 0.02 0.00 0.01 0.00 0.00 72.50 70.25 3g4a s THR 161 CO -0.10 0.48 0.22 0.54 -0.69 0.00 0.00 174.62 175.07 3g4a s VAL 162 N 1.36 0.03 0.50 3.82 0.11 -0.57 -0.13 120.40 125.51 3g4a s VAL 162 Ca 0.05 -0.21 -0.01 0.00 -2.93 0.00 0.00 61.98 58.87 3g4a s VAL 162 Cb -0.14 -0.39 0.00 0.00 -1.53 0.00 0.00 36.38 34.33 3g4a s VAL 162 CO -0.09 -0.12 0.75 0.54 -3.33 0.00 0.00 175.10 172.85 3g4a s ASN 163 N -0.39 5.70 0.48 3.54 2.20 -1.26 -0.63 114.94 124.57 3g4a s ASN 163 Ca -0.05 0.37 0.24 0.00 -0.94 0.00 0.00 52.86 52.48 3g4a s ASN 163 Cb -0.03 -1.51 1.20 0.00 -2.00 0.00 0.00 41.25 38.91 3g4a s ASN 163 CO 0.01 -0.85 1.98 0.00 -2.94 0.00 0.00 177.10 175.30 3g4a h ALA 164 N 0.20 1.25 -0.01 3.54 0.00 -0.61 0.45 119.26 124.09 3g4a h ALA 164 Ca -0.45 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 3g4a h ALA 164 Cb 1.26 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3g4a h ALA 164 CO 0.58 0.23 -0.01 -0.09 0.00 0.00 0.00 179.25 179.96 3g4a h ARG 165 N 0.00 0.02 -0.04 0.00 2.43 -1.83 -1.61 114.38 113.34 3g4a h ARG 165 Ca -0.00 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 3g4a h ARG 165 Cb 0.48 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 3g4a h ARG 165 CO 0.02 0.47 -0.37 1.03 -1.51 0.00 0.00 179.97 179.62 3g4a h SER 166 N -0.44 0.08 -0.01 -3.80 0.87 -1.76 -2.25 113.55 106.23 3g4a h SER 166 Ca 0.00 -0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.41 3g4a h SER 166 Cb 0.47 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 3g4a h SER 166 CO 0.00 0.45 -0.39 0.25 -0.53 0.00 0.00 176.83 176.61 3g4a h LEU 167 N 0.07 0.55 -0.55 2.23 5.85 -0.90 -1.86 115.31 120.70 3g4a h LEU 167 Ca 0.01 -0.24 -0.13 0.00 0.84 0.00 0.00 57.88 58.36 3g4a h LEU 167 Cb 0.69 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3g4a h LEU 167 CO 0.05 0.88 -0.21 0.24 -0.34 0.00 0.00 178.44 179.07 3g4a h MET 168 N 0.43 0.95 -0.00 1.25 2.86 -0.95 -0.35 114.93 119.12 3g4a h MET 168 Ca 0.04 -0.39 0.02 0.00 -2.06 0.00 0.00 59.70 57.31 3g4a h MET 168 Cb 0.87 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 3g4a h MET 168 CO 0.07 1.06 -0.16 -0.97 1.06 0.00 0.00 176.91 177.97 3g4a h ASN 169 N 0.82 -0.47 -0.61 1.22 -1.24 -1.29 -0.59 115.58 113.42 3g4a h ASN 169 Ca 0.11 0.07 0.12 0.00 0.71 0.00 0.00 56.30 57.31 3g4a h ASN 169 Cb 0.77 0.20 -0.09 0.00 0.73 0.00 0.00 38.32 39.92 3g4a h ASN 169 CO 0.06 -0.22 0.08 0.15 -1.29 0.00 0.00 177.43 176.21 3g4a h PHE 170 N -0.27 0.11 -0.44 0.67 3.04 -1.06 -1.16 116.94 117.84 3g4a h PHE 170 Ca 0.05 0.04 -0.05 0.00 3.98 0.00 0.00 57.97 61.99 3g4a h PHE 170 Cb 0.33 0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.87 3g4a h PHE 170 CO -0.21 -0.09 0.06 -0.07 -2.02 0.00 0.00 178.31 175.98 3g4a h LEU 171 N 0.20 0.64 -0.85 0.59 3.38 -0.86 0.38 115.31 118.78 3g4a h LEU 171 Ca 0.32 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.20 3g4a h LEU 171 Cb 0.50 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 3g4a h LEU 171 CO -0.45 0.67 0.55 0.78 0.09 0.00 0.00 178.44 180.07 3g4a h ASN 172 N 0.65 0.92 0.38 -0.43 2.35 0.13 -1.16 115.58 118.42 3g4a h ASN 172 Ca 0.14 -0.01 -0.32 0.00 -0.55 0.00 0.00 56.30 55.57 3g4a h ASN 172 Cb 0.32 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.44 3g4a h ASN 172 CO 0.00 0.64 -1.79 -0.07 -1.65 0.00 0.00 177.43 174.57 3g4a h LEU 173 N 1.08 0.15 0.00 1.61 3.38 -1.25 -3.34 115.31 116.94 3g4a h LEU 173 Ca 0.33 -0.34 -0.30 0.00 0.09 0.00 0.00 57.88 57.66 3g4a h LEU 173 Cb -0.02 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 3g4a h LEU 173 CO -0.11 1.30 -2.15 0.54 0.09 0.00 0.00 178.44 178.12 3g4a n ARG 174 N -3.21 1.04 -2.04 1.13 5.12 0.11 -4.37 116.66 114.43 3g4a n ARG 174 Ca -0.22 0.04 -0.42 0.00 -1.93 0.00 0.00 57.85 55.33 3g4a n ARG 174 Cb 1.05 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.93 3g4a n ARG 174 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3g4a n ALA 175 N -2.79 5.68 -3.61 7.54 0.00 -0.44 -3.94 120.51 122.95 3g4a n ALA 175 Ca -0.30 -4.11 -0.15 0.00 0.00 0.00 0.00 53.44 48.88 3g4a n ALA 175 Cb 0.98 -3.18 -0.07 0.00 0.00 0.00 0.00 19.45 17.19 3g4a n ALA 175 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3g4a s ASP 176 N 1.67 -0.72 0.00 0.00 2.15 -1.26 -3.87 116.67 114.65 3g4a s ASP 176 Ca 0.45 1.26 0.11 0.00 0.43 0.00 0.00 52.55 54.81 3g4a s ASP 176 Cb 0.12 1.24 0.49 0.00 -0.30 0.00 0.00 42.92 44.48 3g4a s ASP 176 CO -0.04 -0.32 1.35 -1.54 -0.17 0.00 0.00 175.17 174.45 3g4a n SER 177 N 2.27 0.00 0.11 -0.34 3.41 -1.26 -1.42 113.62 116.39 3g4a n SER 177 Ca -0.15 0.46 0.02 0.00 -0.26 0.00 0.00 58.87 58.94 3g4a n SER 177 Cb 0.55 -0.48 -0.00 0.00 -0.26 0.00 0.00 64.21 64.02 3g4a n SER 177 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3g4a h HIS 178 N 0.00 0.00 -4.17 7.33 3.86 -1.94 -3.46 115.15 116.76 3g4a h HIS 178 Ca 0.00 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.70 3g4a h HIS 178 Cb 0.19 0.00 0.09 0.00 1.06 0.00 0.00 27.41 28.75 3g4a h HIS 178 CO 0.00 0.49 0.39 0.00 0.86 0.00 0.00 177.93 179.67 3g4a s ALA 179 N -2.97 2.54 0.38 2.45 0.00 -0.51 -4.96 121.76 118.69 3g4a s ALA 179 Ca 0.02 0.59 -0.28 0.00 0.00 0.00 0.00 51.96 52.29 3g4a s ALA 179 Cb 0.08 -3.32 -0.11 0.00 0.00 0.00 0.00 23.12 19.77 3g4a s ALA 179 CO 0.76 -1.12 1.46 -1.14 0.00 0.00 0.00 175.76 175.73 3g4a s GLN 180 N -3.92 4.08 0.31 0.00 0.74 -1.26 -4.75 119.66 114.86 3g4a s GLN 180 Ca 0.68 2.52 0.07 0.00 0.05 0.00 0.00 55.36 58.68 3g4a s GLN 180 Cb -0.21 -2.94 0.79 0.00 1.10 0.00 0.00 33.01 31.75 3g4a s GLN 180 CO 0.38 -0.54 1.75 2.35 -0.55 0.00 0.00 175.29 178.68 3g4a h TRP 181 N 2.95 0.99 -0.65 1.67 7.01 -1.93 -0.86 115.95 125.13 3g4a h TRP 181 Ca -0.51 0.04 0.02 0.00 2.11 0.00 0.00 58.89 60.55 3g4a h TRP 181 Cb 1.24 -0.29 -0.04 0.00 -2.10 0.00 0.00 29.16 27.98 3g4a h TRP 181 CO 0.53 0.13 0.41 0.93 -2.79 0.00 0.00 178.44 177.65 3g4a h GLU 182 N 0.64 0.80 0.00 2.65 3.07 -2.00 -2.08 114.58 117.66 3g4a h GLU 182 Ca 0.60 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 59.34 3g4a h GLU 182 Cb 1.04 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.76 3g4a h GLU 182 CO -0.44 0.53 -0.34 0.97 -1.40 0.00 0.00 179.01 178.33 3g4a h ILE 183 N 0.82 0.61 -0.76 3.13 2.10 -1.54 -2.87 117.51 119.01 3g4a h ILE 183 Ca 0.25 -1.76 0.09 0.00 1.08 0.00 0.00 64.86 64.52 3g4a h ILE 183 Cb -0.02 2.22 -0.07 0.00 -1.09 0.00 0.00 36.82 37.86 3g4a h ILE 183 CO -0.09 0.34 0.41 1.56 -1.08 0.00 0.00 178.15 179.29 3g4a h GLN 184 N 0.00 0.68 -0.76 2.19 4.20 -0.68 -1.28 115.11 119.46 3g4a h GLN 184 Ca -0.00 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 3g4a h GLN 184 Cb 1.19 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.79 3g4a h GLN 184 CO 0.04 0.45 0.27 1.96 -0.67 0.00 0.00 178.83 180.88 3g4a h GLN 185 N 0.70 1.16 -0.73 1.46 1.08 -1.23 -1.12 115.11 116.43 3g4a h GLN 185 Ca 0.36 -0.23 -0.05 0.00 -1.45 0.00 0.00 58.65 57.28 3g4a h GLN 185 Cb 0.34 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 3g4a h GLN 185 CO -0.25 0.97 0.26 1.88 -0.95 0.00 0.00 178.83 180.74 3g4a h TYR 186 N 1.13 1.14 -0.43 2.96 -1.99 -1.41 -3.06 116.97 115.30 3g4a h TYR 186 Ca 0.25 -0.10 -0.05 0.00 2.00 0.00 0.00 58.73 60.83 3g4a h TYR 186 Cb 0.26 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 38.64 3g4a h TYR 186 CO 0.02 0.89 0.08 0.00 -0.00 0.00 0.00 178.16 179.15 3g4a h ALA 187 N 1.13 1.34 -0.61 3.88 0.00 -0.37 -0.68 119.26 123.95 3g4a h ALA 187 Ca 0.24 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3g4a h ALA 187 Cb 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3g4a h ALA 187 CO -0.01 0.47 0.08 -0.07 0.00 0.00 0.00 179.25 179.72 3g4a h LEU 188 N 0.63 0.99 -0.11 0.00 3.38 -1.19 -0.97 115.31 118.04 3g4a h LEU 188 Ca 0.14 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3g4a h LEU 188 Cb 0.28 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3g4a h LEU 188 CO 0.00 1.01 0.07 0.00 0.09 0.00 0.00 178.44 179.61 3g4a h ALA 189 N 1.02 0.14 -0.48 1.53 0.00 -1.31 -1.55 119.26 118.59 3g4a h ALA 189 Ca 0.18 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.14 3g4a h ALA 189 Cb 0.45 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3g4a h ALA 189 CO 0.02 -0.37 0.20 0.82 0.00 0.00 0.00 179.25 179.91 3g4a h ILE 190 N 0.14 0.88 -0.91 0.00 1.08 -0.97 -2.43 117.51 115.31 3g4a h ILE 190 Ca 0.04 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.37 3g4a h ILE 190 Cb -0.01 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 34.15 3g4a h ILE 190 CO -0.01 0.07 0.54 0.00 -0.69 0.00 0.00 178.15 178.06 3g4a h ALA 191 N 1.30 1.17 -0.49 1.87 0.00 -1.04 -0.88 119.26 121.18 3g4a h ALA 191 Ca 0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3g4a h ALA 191 Cb 0.20 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3g4a h ALA 191 CO -0.20 0.64 0.15 -0.09 0.00 0.00 0.00 179.25 179.74 3g4a h ARG 192 N 1.26 0.77 -0.29 0.00 9.65 -0.95 0.43 114.38 125.25 3g4a h ARG 192 Ca 0.33 -0.17 -0.06 0.00 -1.10 0.00 0.00 59.98 58.98 3g4a h ARG 192 Cb -0.03 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.43 3g4a h ARG 192 CO -0.06 0.73 -0.06 0.82 2.80 0.00 0.00 179.97 184.20 3g4a h ILE 193 N 0.67 1.28 -0.99 1.20 2.04 -1.11 -1.83 117.51 118.77 3g4a h ILE 193 Ca 0.16 -1.08 0.04 0.00 1.00 0.00 0.00 64.86 64.98 3g4a h ILE 193 Cb 0.28 1.38 -0.06 0.00 -0.74 0.00 0.00 36.82 37.68 3g4a h ILE 193 CO -0.00 0.34 0.65 0.15 0.00 0.00 0.00 178.15 179.29 3g4a h PHE 194 N 0.33 1.21 -0.64 1.37 3.57 -1.06 -1.07 116.94 120.64 3g4a h PHE 194 Ca 0.08 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 3g4a h PHE 194 Cb 0.54 -0.40 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 3g4a h PHE 194 CO 0.05 0.69 0.16 -0.22 -2.23 0.00 0.00 178.31 176.75 3g4a h LYS 195 N 1.24 1.01 -0.30 1.11 3.64 -0.78 0.67 116.57 123.16 3g4a h LYS 195 Ca 0.40 -0.23 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 3g4a h LYS 195 Cb 0.02 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3g4a h LYS 195 CO -0.13 0.89 -0.14 0.93 -2.27 0.00 0.00 179.45 178.73 3g4a h GLU 196 N 0.96 0.62 0.00 1.90 3.07 -0.36 -2.63 114.58 118.14 3g4a h GLU 196 Ca 0.20 -0.27 -0.23 0.00 -0.50 0.00 0.00 59.36 58.57 3g4a h GLU 196 Cb 0.34 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.19 3g4a h GLU 196 CO 0.00 0.85 -1.22 0.87 -1.40 0.00 0.00 179.01 178.11 3g4a h LYS 197 N 0.37 0.00 -2.09 2.33 1.79 -1.19 -3.40 116.57 114.39 3g4a h LYS 197 Ca 0.07 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.99 3g4a h LYS 197 Cb 0.66 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.91 3g4a h LYS 197 CO 0.04 0.75 -0.95 0.00 -1.08 0.00 0.00 179.45 178.21 3g4a h PRO 199 N 3.56 0.78 -0.08 0.00 0.13 -1.65 -1.75 132.00 132.99 3g4a h PRO 199 Ca 0.11 -0.08 -0.17 0.00 -0.87 0.00 0.00 66.00 65.00 3g4a h PRO 199 Cb 0.80 -0.16 0.01 0.00 0.13 0.00 0.00 31.00 31.78 3g4a h PRO 199 CO 0.61 0.57 -0.62 -1.49 -0.23 0.00 0.00 178.00 176.84 3g4a h TRP 200 N 0.79 0.78 -0.48 1.56 6.55 -1.94 -1.32 115.95 121.89 3g4a h TRP 200 Ca 0.20 -0.37 0.00 0.00 0.95 0.00 0.00 58.89 59.68 3g4a h TRP 200 Cb 0.01 -0.11 -0.02 0.00 -0.86 0.00 0.00 29.16 28.18 3g4a h TRP 200 CO 0.00 1.17 0.31 1.15 -1.05 0.00 0.00 178.44 180.02 3g4a h THR 201 N 0.17 1.13 -0.23 1.49 2.02 -1.93 -1.17 112.91 114.39 3g4a h THR 201 Ca -0.06 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 3g4a h THR 201 Cb 1.28 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 3g4a h THR 201 CO 0.13 0.13 0.06 0.15 0.37 0.00 0.00 175.52 176.35 3g4a h PHE 202 N 0.65 0.38 -0.56 3.16 3.57 -1.30 0.15 116.94 122.99 3g4a h PHE 202 Ca 0.17 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.64 3g4a h PHE 202 Cb -0.05 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 3g4a h PHE 202 CO -0.04 0.46 0.36 0.93 -2.23 0.00 0.00 178.31 177.79 3g4a h GLU 203 N 0.19 0.70 -0.63 1.11 4.39 -1.16 -0.52 114.58 118.66 3g4a h GLU 203 Ca 0.07 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.65 3g4a h GLU 203 Cb 0.27 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 3g4a h GLU 203 CO 0.00 0.46 0.09 0.00 -1.16 0.00 0.00 179.01 178.41 3g4a h ALA 204 N 1.22 0.84 -0.02 3.43 0.00 -0.95 -1.51 119.26 122.27 3g4a h ALA 204 Ca 0.21 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3g4a h ALA 204 Cb -0.04 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 3g4a h ALA 204 CO -0.07 0.61 -0.27 0.35 0.00 0.00 0.00 179.25 179.88 3g4a h PHE 205 N 0.97 -0.72 -0.91 0.00 3.57 -0.42 -0.59 116.94 118.85 3g4a h PHE 205 Ca 0.19 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.74 3g4a h PHE 205 Cb 0.44 0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.46 3g4a h PHE 205 CO 0.03 -0.36 0.60 -0.07 -2.23 0.00 0.00 178.31 176.29 3g4a h LEU 206 N -0.39 1.01 -0.41 0.59 3.38 -0.58 0.46 115.31 119.38 3g4a h LEU 206 Ca 0.07 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 3g4a h LEU 206 Cb 0.49 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3g4a h LEU 206 CO -0.25 0.72 -0.79 0.50 0.09 0.00 0.00 178.44 178.71 3g4a h LYS 207 N 1.19 0.00 0.00 1.13 3.64 -0.90 -3.40 116.57 118.22 3g4a h LYS 207 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3g4a h LYS 207 Cb -0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3g4a h LYS 207 CO -0.09 0.79 -0.62 0.66 -2.27 0.00 0.00 179.45 177.92 3g4a n TYR 208 N -3.58 0.00 0.00 1.91 4.01 -0.26 -4.96 117.16 114.28 3g4a n TYR 208 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3g4a n TYR 208 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.79 3g4a n TYR 208 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3g4a n ALA 209 N -1.52 1.81 -1.99 -0.72 0.00 -0.38 -4.83 120.51 112.89 3g4a n ALA 209 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3g4a n ALA 209 Cb 0.31 0.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 3g4a n ALA 209 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3g4a s TYR 210 N -1.81 2.49 -2.15 0.00 5.04 0.01 -4.90 117.35 116.03 3g4a s TYR 210 Ca 0.00 0.41 0.21 0.00 -2.44 0.00 0.00 57.07 55.25 3g4a s TYR 210 Cb 0.00 -3.90 0.05 0.00 0.35 0.00 0.00 41.96 38.45 3g4a s TYR 210 CO 0.00 -3.59 1.08 1.63 -1.34 0.00 0.00 175.55 173.32 3g4a n LYS 211 N 5.60 1.56 -1.88 4.97 5.02 -1.26 -4.98 118.16 127.18 3g4a n LYS 211 Ca 0.15 -1.21 -0.22 0.00 -2.02 0.00 0.00 58.31 55.02 3g4a n LYS 211 Cb 0.41 -1.42 0.13 0.00 -0.02 0.00 0.00 35.03 34.13 3g4a n LYS 211 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3g4a n GLY 212 N 1.32 -0.41 0.00 0.72 0.00 -1.25 -5.04 105.19 100.52 3g4a n GLY 212 Ca 0.10 -1.86 0.01 0.00 0.00 0.00 0.00 46.02 44.27 3g4a n GLY 212 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3g4a n ASP 213 N -3.32 1.35 0.03 1.61 5.68 -1.26 -4.85 116.55 115.79 3g4a n ASP 213 Ca 0.14 -0.39 -0.19 0.00 -0.50 0.00 0.00 54.79 53.84 3g4a n ASP 213 Cb 0.48 1.03 -0.14 0.00 -1.14 0.00 0.00 41.12 41.34 3g4a n ASP 213 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 3g4a h ILE 214 N 0.00 0.82 0.00 2.12 3.07 -1.94 -3.37 117.51 118.21 3g4a h ILE 214 Ca 0.00 -2.51 -0.02 0.00 1.55 0.00 0.00 64.86 63.88 3g4a h ILE 214 Cb 0.06 2.61 -0.00 0.00 -0.27 0.00 0.00 36.82 39.22 3g4a h ILE 214 CO 0.00 0.83 -0.09 -0.07 -1.05 0.00 0.00 178.15 177.77 3g4a h LEU 215 N 0.07 0.00 0.00 0.16 3.38 -1.89 0.70 115.31 117.74 3g4a h LEU 215 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3g4a h LEU 215 Cb 2.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.80 3g4a h LEU 215 CO 0.12 0.09 -0.12 0.29 0.09 0.00 0.00 178.44 178.91 3g4a n LYS 216 N -3.31 0.24 -0.00 1.13 5.02 -1.26 -3.99 118.16 115.99 3g4a n LYS 216 Ca -0.01 0.17 0.08 0.00 -2.02 0.00 0.00 58.31 56.53 3g4a n LYS 216 Cb 0.29 -1.75 -0.10 0.00 -0.02 0.00 0.00 35.03 33.45 3g4a n LYS 216 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3g4a n GLU 217 N -2.15 1.37 0.00 1.97 4.71 0.19 -5.19 120.64 121.53 3g4a n GLU 217 Ca 0.05 -0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.19 3g4a n GLU 217 Cb 0.42 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.55 3g4a n GLU 217 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50