#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxn n ASP 33 N 0.00 6.21 -1.12 1.96 4.64 -1.26 -4.39 116.55 122.58 3gxn n ASP 33 Ca 0.00 -2.43 0.08 0.00 -1.38 0.00 0.00 54.79 51.06 3gxn n ASP 33 Cb 0.00 -1.33 0.25 0.00 -1.04 0.00 0.00 41.12 39.01 3gxn n ASP 33 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 3gxn n ASN 34 N 3.24 3.26 -0.48 1.67 0.23 -1.26 -4.91 115.26 117.01 3gxn n ASN 34 Ca 0.54 -2.15 -0.06 0.00 -0.53 0.00 0.00 54.58 52.38 3gxn n ASN 34 Cb 0.46 -0.42 -0.03 0.00 -2.08 0.00 0.00 39.78 37.71 3gxn n ASN 34 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gxn n GLY 35 N 1.17 0.65 3.92 4.83 0.00 -1.26 -4.99 105.19 109.51 3gxn n GLY 35 Ca 0.19 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 3gxn n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gxn s LEU 36 N -1.44 3.33 -0.78 0.99 1.43 -1.26 -4.62 118.68 116.33 3gxn s LEU 36 Ca 0.00 -0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 52.33 3gxn s LEU 36 Cb 0.00 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.21 3gxn s LEU 36 CO 0.00 -0.79 0.03 0.00 0.23 0.00 0.00 176.35 175.82 3gxn n ALA 37 N -1.68 -0.86 0.30 4.21 0.00 -1.26 -4.04 120.51 117.18 3gxn n ALA 37 Ca 0.05 0.07 0.18 0.00 0.00 0.00 0.00 53.44 53.74 3gxn n ALA 37 Cb 0.62 -1.30 0.92 0.00 0.00 0.00 0.00 19.45 19.68 3gxn n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gxn h ARG 38 N -0.06 0.00 -5.65 0.00 2.47 -1.91 -2.48 114.38 106.75 3gxn h ARG 38 Ca -0.22 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 57.98 3gxn h ARG 38 Cb 1.16 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.34 3gxn h ARG 38 CO 0.26 0.00 -0.69 0.95 0.56 0.00 0.00 179.97 181.05 3gxn s THR 39 N -4.22 1.83 0.07 2.04 -4.23 -1.26 -4.34 115.64 105.53 3gxn s THR 39 Ca -0.04 -2.17 -0.33 0.00 -1.18 0.00 0.00 61.69 57.97 3gxn s THR 39 Cb 0.11 -2.41 -0.12 0.00 1.34 0.00 0.00 72.50 71.42 3gxn s THR 39 CO 0.36 -0.33 1.76 -2.65 -0.54 0.00 0.00 174.62 173.22 3gxn n PRO 40 N -0.59 2.39 -1.71 3.99 -0.02 -1.26 -4.88 135.00 132.92 3gxn n PRO 40 Ca -0.06 0.87 -0.43 0.00 -2.02 0.00 0.00 63.50 61.86 3gxn n PRO 40 Cb 0.63 -2.70 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 3gxn n PRO 40 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3gxn n THR 41 N 4.38 0.16 -4.40 3.45 -1.04 -1.26 -4.59 114.28 110.98 3gxn n THR 41 Ca 0.19 -0.04 -0.34 0.00 -2.04 0.00 0.00 64.05 61.82 3gxn n THR 41 Cb 0.32 -1.83 -0.11 0.00 -1.82 0.00 0.00 70.33 66.89 3gxn n THR 41 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3gxn s MET 42 N 0.83 3.33 0.00 -2.82 -1.94 -1.26 -0.37 119.30 117.06 3gxn s MET 42 Ca 0.75 -0.47 0.00 0.00 -1.71 0.00 0.00 55.69 54.25 3gxn s MET 42 Cb -0.56 -2.85 0.00 0.00 2.01 0.00 0.00 34.83 33.43 3gxn s MET 42 CO 0.37 0.46 0.00 0.41 -0.01 0.00 0.00 175.02 176.25 3gxn n GLY 43 N 2.87 2.63 3.16 -0.03 0.00 -0.46 -0.67 105.19 112.69 3gxn n GLY 43 Ca -0.18 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 3gxn n GLY 43 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3gxn s TRP 44 N 0.12 -0.31 -0.03 1.61 -0.00 0.14 -2.02 118.94 118.45 3gxn s TRP 44 Ca 0.00 0.76 0.02 0.00 -0.00 0.00 0.00 56.10 56.87 3gxn s TRP 44 Cb 0.00 0.10 0.01 0.00 -0.00 0.00 0.00 33.47 33.59 3gxn s TRP 44 CO 0.00 -0.15 -0.05 -1.17 -0.00 0.00 0.00 176.95 175.57 3gxn s LEU 45 N 0.19 1.60 0.21 5.86 0.20 0.26 0.22 118.68 127.21 3gxn s LEU 45 Ca -0.00 -0.13 0.03 0.00 0.69 0.00 0.00 54.13 54.72 3gxn s LEU 45 Cb -0.02 -0.41 0.16 0.00 -0.43 0.00 0.00 46.19 45.49 3gxn s LEU 45 CO 0.00 0.00 1.50 1.12 -0.29 0.00 0.00 176.35 178.68 3gxn h HIS 46 N 6.70 0.31 -0.98 5.38 2.07 -1.80 -3.34 115.15 123.50 3gxn h HIS 46 Ca -0.35 -0.14 0.14 0.00 -2.85 0.00 0.00 60.37 57.17 3gxn h HIS 46 Cb 1.17 -0.05 -0.15 0.00 2.57 0.00 0.00 27.41 30.95 3gxn h HIS 46 CO 0.46 0.85 -0.42 1.87 -3.07 0.00 0.00 177.93 177.62 3gxn n TRP 47 N -3.81 -0.06 -0.11 6.12 -0.00 -1.26 -0.53 117.44 117.79 3gxn n TRP 47 Ca -0.03 1.21 -0.12 0.00 -0.00 0.00 0.00 57.50 58.56 3gxn n TRP 47 Cb 0.68 -0.81 -0.03 0.00 -0.00 0.00 0.00 31.31 31.14 3gxn n TRP 47 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 3gxn h GLU 48 N 0.00 0.74 0.00 5.87 4.22 -1.87 0.22 114.58 123.75 3gxn h GLU 48 Ca 0.31 -0.35 -0.17 0.00 0.08 0.00 0.00 59.36 59.23 3gxn h GLU 48 Cb 0.55 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3gxn h GLU 48 CO -0.97 0.96 -0.84 -0.09 -2.18 0.00 0.00 179.01 175.90 3gxn h ARG 49 N 0.51 0.00 0.00 1.92 9.65 -1.59 -3.39 114.38 121.47 3gxn h ARG 49 Ca 0.07 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 3gxn h ARG 49 Cb 0.77 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.35 3gxn h ARG 49 CO 0.06 0.77 -1.11 1.19 2.80 0.00 0.00 179.97 183.68 3gxn n PHE 50 N -3.28 0.00 -2.62 2.20 3.72 0.31 -5.03 117.46 112.77 3gxn n PHE 50 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3gxn n PHE 50 Cb 0.86 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 39.30 3gxn n PHE 50 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3gxn n MET 51 N -1.61 0.00 -2.27 -1.08 2.81 0.75 -3.55 117.12 112.17 3gxn n MET 51 Ca -0.01 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.54 3gxn n MET 51 Cb 0.12 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 32.65 3gxn n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gxn s ASN 53 N -2.19 6.58 0.00 0.00 2.47 -1.23 -4.90 114.94 115.67 3gxn s ASN 53 Ca 0.49 0.36 0.12 0.00 0.42 0.00 0.00 52.86 54.26 3gxn s ASN 53 Cb 0.39 -2.44 0.16 0.00 -1.45 0.00 0.00 41.25 37.92 3gxn s ASN 53 CO -0.29 -0.87 0.99 0.18 -3.72 0.00 0.00 177.10 173.40 3gxn n LEU 54 N 6.75 2.29 -4.38 3.21 4.32 -1.26 -1.61 117.00 126.32 3gxn n LEU 54 Ca 0.05 -1.25 -0.45 0.00 -0.02 0.00 0.00 56.01 54.34 3gxn n LEU 54 Cb 0.48 -0.07 -0.04 0.00 -1.62 0.00 0.00 43.42 42.17 3gxn n LEU 54 CO 0.58 0.48 0.47 -0.62 -1.22 0.00 0.00 177.39 177.07 3gxn s ASP 55 N -1.03 6.23 0.00 -1.43 3.68 -1.26 -4.83 116.67 118.03 3gxn s ASP 55 Ca 0.17 -1.49 0.18 0.00 2.13 0.00 0.00 52.55 53.54 3gxn s ASP 55 Cb 0.11 -2.31 0.38 0.00 -1.45 0.00 0.00 42.92 39.65 3gxn s ASP 55 CO 0.16 -1.12 1.30 0.00 0.13 0.00 0.00 175.17 175.65 3gxn n GLN 57 N 1.12 0.00 0.13 0.00 1.13 -1.26 -3.84 117.38 114.65 3gxn n GLN 57 Ca 0.16 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.34 3gxn n GLN 57 Cb 0.51 -0.81 0.14 0.00 0.11 0.00 0.00 30.24 30.18 3gxn n GLN 57 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3gxn h GLU 58 N 0.00 0.00 -2.12 -1.09 5.08 -2.00 -3.34 114.58 111.11 3gxn h GLU 58 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 3gxn h GLU 58 Cb 0.00 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.84 3gxn h GLU 58 CO 0.00 0.00 -0.86 0.39 -1.00 0.00 0.00 179.01 177.54 3gxn n GLU 59 N -2.60 1.84 0.12 2.33 1.02 -1.14 -4.92 120.64 117.28 3gxn n GLU 59 Ca 0.03 -4.05 0.06 0.00 -0.02 0.00 0.00 57.16 53.18 3gxn n GLU 59 Cb 0.50 -1.84 0.34 0.00 -0.02 0.00 0.00 31.44 30.42 3gxn n GLU 59 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3gxn n PRO 60 N 0.76 0.08 0.02 3.49 -0.04 -1.25 -2.46 135.00 135.60 3gxn n PRO 60 Ca 0.27 0.54 0.02 0.00 -0.04 0.00 0.00 63.50 64.29 3gxn n PRO 60 Cb 0.48 -1.92 -0.10 0.00 -0.04 0.00 0.00 33.50 31.92 3gxn n PRO 60 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3gxn n ASP 61 N -1.94 0.60 -0.02 3.54 8.00 -1.26 -4.08 116.55 121.39 3gxn n ASP 61 Ca -0.01 0.26 0.05 0.00 0.71 0.00 0.00 54.79 55.81 3gxn n ASP 61 Cb 0.17 0.61 -0.14 0.00 -0.02 0.00 0.00 41.12 41.74 3gxn n ASP 61 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3gxn n SER 62 N -2.74 0.85 -4.59 -2.24 7.64 -1.14 -4.98 113.62 106.42 3gxn n SER 62 Ca -0.11 0.00 -0.62 0.00 1.01 0.00 0.00 58.87 59.15 3gxn n SER 62 Cb 0.80 1.64 -0.09 0.00 -1.01 0.00 0.00 64.21 65.56 3gxn n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gxn s ILE 64 N 1.05 3.34 0.12 0.00 1.09 -0.64 -4.72 121.20 121.44 3gxn s ILE 64 Ca 0.96 0.30 -0.11 0.00 -1.10 0.00 0.00 60.65 60.70 3gxn s ILE 64 Cb -1.35 -3.61 0.01 0.00 -1.06 0.00 0.00 42.46 36.44 3gxn s ILE 64 CO 0.66 -0.49 0.27 -0.94 -0.10 0.00 0.00 174.94 174.33 3gxn s SER 65 N 7.68 0.01 0.21 3.58 1.04 -1.26 -4.89 113.70 120.07 3gxn s SER 65 Ca 0.79 -0.62 -0.09 0.00 0.48 0.00 0.00 55.95 56.51 3gxn s SER 65 Cb -0.19 0.40 0.25 0.00 0.10 0.00 0.00 66.02 66.57 3gxn s SER 65 CO 0.29 -0.80 1.80 1.05 0.98 0.00 0.00 173.24 176.56 3gxn h GLU 66 N 2.60 0.65 -0.94 4.02 4.11 -1.69 -1.60 114.58 121.74 3gxn h GLU 66 Ca -0.33 -0.04 0.25 0.00 0.07 0.00 0.00 59.36 59.31 3gxn h GLU 66 Cb 1.22 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 3gxn h GLU 66 CO 0.52 0.43 0.65 0.87 0.07 0.00 0.00 179.01 181.55 3gxn h LYS 67 N 0.67 0.16 -0.01 1.06 6.56 -1.94 0.29 116.57 123.36 3gxn h LYS 67 Ca 0.30 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.88 3gxn h LYS 67 Cb 0.21 -0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 31.83 3gxn h LYS 67 CO -0.19 0.11 -0.00 1.25 -2.06 0.00 0.00 179.45 178.55 3gxn h LEU 68 N 0.17 0.02 -0.08 2.94 5.85 -1.57 -1.06 115.31 121.58 3gxn h LEU 68 Ca 0.47 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3gxn h LEU 68 Cb 1.57 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.59 3gxn h LEU 68 CO -0.09 0.37 -0.04 -0.26 -0.34 0.00 0.00 178.44 178.08 3gxn h PHE 69 N -0.32 0.19 -0.90 1.25 0.04 -0.53 0.66 116.94 117.34 3gxn h PHE 69 Ca 0.00 -0.05 0.16 0.00 2.80 0.00 0.00 57.97 60.89 3gxn h PHE 69 Cb 0.36 -0.05 -0.16 0.00 2.20 0.00 0.00 35.95 38.30 3gxn h PHE 69 CO 0.05 0.53 -0.31 0.52 -0.60 0.00 0.00 178.31 178.50 3gxn h MET 70 N -0.20 -0.02 -0.29 1.51 2.86 -0.75 0.75 114.93 118.79 3gxn h MET 70 Ca 0.02 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.48 3gxn h MET 70 Cb 0.48 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 3gxn h MET 70 CO 0.01 -0.02 -0.53 1.49 1.06 0.00 0.00 176.91 178.92 3gxn h GLU 71 N -0.03 0.85 -0.38 1.72 4.81 -0.81 -0.24 114.58 120.51 3gxn h GLU 71 Ca 0.37 -0.53 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 3gxn h GLU 71 Cb 0.62 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 3gxn h GLU 71 CO -0.92 1.17 0.12 0.52 -0.73 0.00 0.00 179.01 179.17 3gxn h MET 72 N 0.66 0.60 -0.03 1.92 2.86 0.44 -1.56 114.93 119.81 3gxn h MET 72 Ca 0.02 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3gxn h MET 72 Cb 1.14 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 3gxn h MET 72 CO 0.12 0.60 -0.17 0.00 1.06 0.00 0.00 176.91 178.52 3gxn h ALA 73 N 0.97 -0.59 -0.64 6.32 0.00 0.54 0.88 119.26 126.73 3gxn h ALA 73 Ca 0.12 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.17 3gxn h ALA 73 Cb 0.25 0.69 -0.12 0.00 0.00 0.00 0.00 17.79 18.62 3gxn h ALA 73 CO -0.00 -0.65 -0.05 -1.91 0.00 0.00 0.00 179.25 176.64 3gxn n GLU 74 N -3.44 -0.05 0.10 0.00 0.00 -0.11 -0.75 120.64 116.38 3gxn n GLU 74 Ca -0.02 0.98 -0.16 0.00 0.00 0.00 0.00 57.16 57.95 3gxn n GLU 74 Cb 0.12 -1.52 -0.14 0.00 0.00 0.00 0.00 31.44 29.90 3gxn n GLU 74 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3gxn h LEU 75 N 0.00 0.44 -1.37 4.31 4.07 -0.39 -3.05 115.31 119.32 3gxn h LEU 75 Ca 0.36 -0.48 0.18 0.00 0.08 0.00 0.00 57.88 58.02 3gxn h LEU 75 Cb 0.68 -0.14 -0.07 0.00 1.08 0.00 0.00 40.66 42.20 3gxn h LEU 75 CO -0.62 1.38 0.59 0.24 -1.08 0.00 0.00 178.44 178.94 3gxn h MET 76 N 0.08 0.53 0.50 1.13 2.86 0.13 -1.47 114.93 118.69 3gxn h MET 76 Ca -0.15 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 3gxn h MET 76 Cb 1.99 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 33.53 3gxn h MET 76 CO 0.20 0.35 -0.24 0.28 1.06 0.00 0.00 176.91 178.57 3gxn h VAL 77 N 0.55 0.01 -0.59 -2.22 2.07 -1.56 -1.33 116.25 113.17 3gxn h VAL 77 Ca 0.48 -0.51 0.12 0.00 0.82 0.00 0.00 66.70 67.60 3gxn h VAL 77 Cb 0.98 0.01 -0.11 0.00 -1.52 0.00 0.00 31.29 30.65 3gxn h VAL 77 CO -0.21 0.00 -0.21 0.28 0.02 0.00 0.00 177.57 177.44 3gxn h SER 78 N -1.18 -0.75 -0.49 0.57 0.02 -1.30 -1.87 113.55 108.55 3gxn h SER 78 Ca -0.07 0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3gxn h SER 78 Cb 0.51 0.44 -0.00 0.00 0.14 0.00 0.00 62.40 63.49 3gxn h SER 78 CO 0.11 -0.24 0.01 -0.62 -1.14 0.00 0.00 176.83 174.95 3gxn n GLU 79 N -5.43 4.27 -4.08 3.45 -0.58 -0.61 -4.94 120.64 112.72 3gxn n GLU 79 Ca 0.06 -2.65 -0.33 0.00 -0.42 0.00 0.00 57.16 53.82 3gxn n GLU 79 Cb 0.33 -2.15 -0.01 0.00 -0.57 0.00 0.00 31.44 29.05 3gxn n GLU 79 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gxn n GLY 80 N 0.51 -0.45 0.13 0.62 0.00 -0.70 -4.85 105.19 100.45 3gxn n GLY 80 Ca 0.24 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.31 3gxn n GLY 80 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3gxn h TRP 81 N -1.75 0.34 0.57 1.61 4.06 -1.51 -2.01 115.95 117.27 3gxn h TRP 81 Ca -0.59 -0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.30 3gxn h TRP 81 Cb 1.38 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 29.44 3gxn h TRP 81 CO 0.60 0.40 -0.30 -0.22 -3.56 0.00 0.00 178.44 175.36 3gxn h LYS 82 N 0.18 -0.77 -0.98 0.49 3.11 -1.49 -1.05 116.57 116.06 3gxn h LYS 82 Ca 0.07 0.05 0.32 0.00 -2.81 0.00 0.00 60.65 58.29 3gxn h LYS 82 Cb 0.22 0.18 -0.18 0.00 -1.00 0.00 0.00 32.23 31.45 3gxn h LYS 82 CO -0.00 -0.51 0.26 -0.44 -2.81 0.00 0.00 179.45 175.94 3gxn h ASP 83 N -0.80 -0.09 1.72 4.20 3.45 -1.82 0.41 116.42 123.48 3gxn h ASP 83 Ca -0.08 0.26 0.00 0.00 0.43 0.00 0.00 57.03 57.64 3gxn h ASP 83 Cb 0.63 0.37 0.00 0.00 -0.56 0.00 0.00 39.33 39.76 3gxn h ASP 83 CO 0.11 -0.35 0.00 0.00 -1.57 0.00 0.00 179.24 177.43 3gxn h ALA 84 N 1.96 1.00 0.00 3.45 0.00 -0.57 -3.47 119.26 121.63 3gxn h ALA 84 Ca 0.69 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.60 3gxn h ALA 84 Cb 1.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3gxn h ALA 84 CO -0.82 0.00 0.00 0.41 0.00 0.00 0.00 179.25 178.84 3gxn n GLY 85 N 1.03 0.28 3.65 0.00 0.00 0.13 -5.01 105.19 105.27 3gxn n GLY 85 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3gxn n GLY 85 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gxn s TYR 86 N -1.00 3.33 0.00 1.61 2.02 -0.68 -4.51 117.35 118.12 3gxn s TYR 86 Ca 0.00 0.93 0.00 0.00 -0.37 0.00 0.00 57.07 57.63 3gxn s TYR 86 Cb 0.00 -2.86 0.00 0.00 -0.40 0.00 0.00 41.96 38.70 3gxn s TYR 86 CO 0.00 -0.26 0.00 -1.91 -1.57 0.00 0.00 175.55 171.81 3gxn n GLU 87 N 5.43 3.15 -3.31 -0.62 4.07 0.15 -3.55 120.64 125.95 3gxn n GLU 87 Ca 0.00 0.00 -0.45 0.00 -0.06 0.00 0.00 57.16 56.65 3gxn n GLU 87 Cb 0.49 -0.73 -0.06 0.00 -0.06 0.00 0.00 31.44 31.07 3gxn n GLU 87 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 3gxn s TYR 88 N -0.95 3.20 -0.42 4.31 2.02 -0.83 -1.06 117.35 123.62 3gxn s TYR 88 Ca 0.00 -1.00 -0.28 0.00 -0.37 0.00 0.00 57.07 55.42 3gxn s TYR 88 Cb 0.00 -3.48 0.02 0.00 -0.40 0.00 0.00 41.96 38.11 3gxn s TYR 88 CO 0.00 -0.93 1.07 -1.17 -1.57 0.00 0.00 175.55 172.95 3gxn s LEU 89 N 1.83 3.80 -0.15 -1.29 2.96 0.32 0.27 118.68 126.41 3gxn s LEU 89 Ca 0.06 0.59 0.00 0.00 -0.22 0.00 0.00 54.13 54.56 3gxn s LEU 89 Cb -0.25 -3.47 -0.00 0.00 0.50 0.00 0.00 46.19 42.96 3gxn s LEU 89 CO 0.06 -1.08 -0.15 0.00 -1.32 0.00 0.00 176.35 173.86 3gxn s ILE 91 N 0.77 4.87 0.00 0.00 1.01 -0.93 -3.13 121.20 123.78 3gxn s ILE 91 Ca -0.06 1.70 0.00 0.00 0.00 0.00 0.00 60.65 62.29 3gxn s ILE 91 Cb -0.15 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.16 3gxn s ILE 91 CO 0.01 0.27 0.00 -0.67 0.00 0.00 0.00 174.94 174.55 3gxn n ASP 92 N 3.44 0.19 -4.43 3.58 -0.08 -1.26 -3.34 116.55 114.65 3gxn n ASP 92 Ca 0.00 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.96 3gxn n ASP 92 Cb 0.51 0.00 0.12 0.00 2.34 0.00 0.00 41.12 44.09 3gxn n ASP 92 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 3gxn n ASP 93 N 0.00 -1.97 -0.10 1.67 -0.08 -1.26 -4.16 116.55 110.65 3gxn n ASP 93 Ca 0.00 0.33 -0.01 0.00 -1.51 0.00 0.00 54.79 53.60 3gxn n ASP 93 Cb 0.00 -1.22 -0.01 0.00 2.34 0.00 0.00 41.12 42.23 3gxn n ASP 93 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3gxn h TRP 95 N 0.00 0.00 -3.31 0.00 5.08 -1.95 -3.48 115.95 112.29 3gxn h TRP 95 Ca -0.03 0.00 -0.48 0.00 1.08 0.00 0.00 58.89 59.46 3gxn h TRP 95 Cb 0.12 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 26.31 3gxn h TRP 95 CO 0.06 0.00 0.04 0.00 -1.28 0.00 0.00 178.44 177.25 3gxn s MET 96 N -3.28 3.31 0.41 0.12 0.23 -1.26 -0.86 119.30 117.97 3gxn s MET 96 Ca 0.03 -0.06 -0.23 0.00 -1.03 0.00 0.00 55.69 54.41 3gxn s MET 96 Cb 0.07 -2.43 -0.10 0.00 -1.53 0.00 0.00 34.83 30.84 3gxn s MET 96 CO 0.73 -0.26 0.97 0.00 -2.03 0.00 0.00 175.02 174.42 3gxn s ALA 97 N -2.69 3.07 0.20 3.16 0.00 0.39 -3.99 121.76 121.91 3gxn s ALA 97 Ca 0.48 0.49 0.06 0.00 0.00 0.00 0.00 51.96 52.99 3gxn s ALA 97 Cb -0.10 -3.18 0.62 0.00 0.00 0.00 0.00 23.12 20.45 3gxn s ALA 97 CO 0.42 0.05 0.96 -2.30 0.00 0.00 0.00 175.76 174.89 3gxn n PRO 98 N -0.31 -0.04 -3.64 0.00 -0.01 -1.26 -4.59 135.00 125.14 3gxn n PRO 98 Ca 0.06 0.88 -0.13 0.00 -0.01 0.00 0.00 63.50 64.30 3gxn n PRO 98 Cb 0.52 -1.48 -0.03 0.00 -0.01 0.00 0.00 33.50 32.50 3gxn n PRO 98 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 3gxn n GLN 99 N -4.61 0.53 -1.82 -0.52 0.00 -1.26 -4.29 117.38 105.41 3gxn n GLN 99 Ca 0.18 -2.43 -0.32 0.00 0.00 0.00 0.00 57.00 54.42 3gxn n GLN 99 Cb 0.60 2.26 0.03 0.00 0.00 0.00 0.00 30.24 33.14 3gxn n GLN 99 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 3gxn s ARG 100 N -2.77 3.03 0.00 2.61 1.81 -1.26 -4.69 118.95 117.68 3gxn s ARG 100 Ca 0.26 1.19 0.00 0.00 -1.72 0.00 0.00 55.73 55.47 3gxn s ARG 100 Cb -0.00 -1.99 0.00 0.00 -0.45 0.00 0.00 34.95 32.50 3gxn s ARG 100 CO 0.19 -1.04 0.00 -0.40 -0.68 0.00 0.00 175.30 173.37 3gxn n ASP 101 N -2.47 -0.13 -0.20 0.23 5.68 0.07 -4.91 116.55 114.82 3gxn n ASP 101 Ca 0.09 -0.69 0.02 0.00 -0.50 0.00 0.00 54.79 53.71 3gxn n ASP 101 Cb 0.53 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.78 3gxn n ASP 101 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3gxn h SER 102 N -0.13 0.81 1.10 -1.12 4.64 -1.98 -2.73 113.55 114.14 3gxn h SER 102 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3gxn h SER 102 Cb 0.00 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 3gxn h SER 102 CO 0.00 0.58 -0.33 1.21 -0.87 0.00 0.00 176.83 177.42 3gxn n GLU 103 N -4.43 0.25 0.00 4.77 2.13 -1.26 -4.91 120.64 117.18 3gxn n GLU 103 Ca 0.08 0.13 0.00 0.00 0.66 0.00 0.00 57.16 58.03 3gxn n GLU 103 Cb 0.06 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 30.05 3gxn n GLU 103 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gxn n GLY 104 N 1.34 1.01 3.90 8.31 0.00 -1.03 -5.09 105.19 113.63 3gxn n GLY 104 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3gxn n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gxn s ARG 105 N -0.78 3.63 1.20 1.61 0.52 -1.26 -4.82 118.95 119.05 3gxn s ARG 105 Ca 0.00 0.00 -0.16 0.00 -0.52 0.00 0.00 55.73 55.06 3gxn s ARG 105 Cb 0.00 -2.64 0.29 0.00 0.52 0.00 0.00 34.95 33.11 3gxn s ARG 105 CO 0.00 0.21 1.03 -0.51 0.02 0.00 0.00 175.30 176.05 3gxn s LEU 106 N -3.56 0.47 -0.04 2.53 1.43 -1.26 -0.76 118.68 117.48 3gxn s LEU 106 Ca 0.44 1.15 -0.30 0.00 -1.03 0.00 0.00 54.13 54.39 3gxn s LEU 106 Cb -0.11 -2.97 0.08 0.00 0.03 0.00 0.00 46.19 43.22 3gxn s LEU 106 CO 0.30 -4.28 0.71 0.00 0.23 0.00 0.00 176.35 173.31 3gxn s GLN 107 N -4.83 1.03 0.66 1.70 -2.07 -1.26 -4.69 119.66 110.20 3gxn s GLN 107 Ca 0.68 0.18 -0.17 0.00 -1.82 0.00 0.00 55.36 54.23 3gxn s GLN 107 Cb -0.19 0.48 -0.01 0.00 -1.09 0.00 0.00 33.01 32.20 3gxn s GLN 107 CO 0.61 -0.34 1.15 0.00 -1.32 0.00 0.00 175.29 175.39 3gxn n ALA 108 N 0.76 0.60 -1.69 2.60 0.00 -1.26 -0.46 120.51 121.07 3gxn n ALA 108 Ca -0.18 -0.05 -0.44 0.00 0.00 0.00 0.00 53.44 52.77 3gxn n ALA 108 Cb 0.58 -2.23 -0.04 0.00 0.00 0.00 0.00 19.45 17.76 3gxn n ALA 108 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3gxn n ASP 109 N -1.68 3.48 -0.00 0.00 2.03 -0.04 -3.89 116.55 116.44 3gxn n ASP 109 Ca 0.15 1.07 -0.11 0.00 0.52 0.00 0.00 54.79 56.41 3gxn n ASP 109 Cb 0.48 -1.49 -0.06 0.00 -0.72 0.00 0.00 41.12 39.34 3gxn n ASP 109 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3gxn h PRO 110 N 6.42 0.12 -0.04 -0.67 0.11 -1.91 -0.59 132.00 135.43 3gxn h PRO 110 Ca -0.44 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.48 3gxn h PRO 110 Cb 1.23 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3gxn h PRO 110 CO 0.92 0.13 -0.75 1.96 -0.21 0.00 0.00 178.00 180.05 3gxn h GLN 111 N 0.08 0.27 0.00 1.05 7.50 -1.94 -2.46 115.11 119.61 3gxn h GLN 111 Ca 0.03 -0.24 -0.16 0.00 0.50 0.00 0.00 58.65 58.79 3gxn h GLN 111 Cb 0.03 0.05 -0.03 0.00 0.05 0.00 0.00 27.48 27.59 3gxn h GLN 111 CO -0.01 0.90 -1.50 0.54 -1.50 0.00 0.00 178.83 177.26 3gxn n ARG 112 N -3.78 0.63 -3.28 1.46 1.74 -1.17 -4.22 116.66 108.03 3gxn n ARG 112 Ca -0.03 0.16 -0.26 0.00 -0.77 0.00 0.00 57.85 56.95 3gxn n ARG 112 Cb 0.72 -1.76 -0.07 0.00 -1.02 0.00 0.00 32.46 30.32 3gxn n ARG 112 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3gxn n PHE 113 N -2.81 2.53 -0.27 -1.55 3.72 -0.24 -1.70 117.46 117.14 3gxn n PHE 113 Ca -0.10 -3.97 0.03 0.00 -0.05 0.00 0.00 57.45 53.36 3gxn n PHE 113 Cb 0.82 -0.49 0.17 0.00 -0.94 0.00 0.00 39.48 39.03 3gxn n PHE 113 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3gxn h PRO 114 N 3.89 0.65 0.00 -1.08 0.13 -1.61 -0.91 132.00 133.07 3gxn h PRO 114 Ca 0.15 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3gxn h PRO 114 Cb 0.71 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.69 3gxn h PRO 114 CO 0.72 0.43 0.00 0.72 -0.23 0.00 0.00 178.00 179.64 3gxn n HIS 115 N -4.83 0.47 -0.55 1.56 8.25 -1.26 -5.00 115.22 113.85 3gxn n HIS 115 Ca 0.13 0.15 0.02 0.00 -0.26 0.00 0.00 57.72 57.75 3gxn n HIS 115 Cb 0.31 -0.74 -0.00 0.00 1.12 0.00 0.00 29.99 30.68 3gxn n HIS 115 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gxn n GLY 116 N 1.07 -2.21 0.11 -1.41 0.00 -0.35 -4.31 105.19 98.09 3gxn n GLY 116 Ca 0.05 -1.49 -0.21 0.00 0.00 0.00 0.00 46.02 44.37 3gxn n GLY 116 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gxn h ILE 117 N -0.10 1.05 -0.95 -0.61 1.08 -1.96 -2.93 117.51 113.08 3gxn h ILE 117 Ca 0.00 -2.31 0.29 0.00 -0.39 0.00 0.00 64.86 62.46 3gxn h ILE 117 Cb 0.10 2.60 -0.15 0.00 -3.07 0.00 0.00 36.82 36.30 3gxn h ILE 117 CO 0.00 0.56 0.37 -0.09 -0.69 0.00 0.00 178.15 178.30 3gxn h ARG 118 N -0.62 0.20 0.03 2.37 2.43 -1.85 1.08 114.38 118.01 3gxn h ARG 118 Ca -0.29 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 58.70 3gxn h ARG 118 Cb 1.52 -0.04 0.02 0.00 -0.42 0.00 0.00 29.97 31.04 3gxn h ARG 118 CO -0.05 0.13 -0.68 1.96 -1.51 0.00 0.00 179.97 179.82 3gxn h GLN 119 N 0.20 0.41 -0.66 0.20 4.20 -1.75 -2.53 115.11 115.19 3gxn h GLN 119 Ca 0.66 -0.48 0.06 0.00 0.06 0.00 0.00 58.65 58.95 3gxn h GLN 119 Cb 1.47 0.15 -0.06 0.00 0.30 0.00 0.00 27.48 29.34 3gxn h GLN 119 CO -0.68 1.15 0.36 1.25 -0.67 0.00 0.00 178.83 180.24 3gxn h LEU 120 N -0.11 0.52 0.29 1.46 5.85 -0.67 0.24 115.31 122.90 3gxn h LEU 120 Ca -0.09 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 3gxn h LEU 120 Cb 1.41 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 3gxn h LEU 120 CO 0.13 0.34 -0.45 0.00 -0.34 0.00 0.00 178.44 178.12 3gxn h ALA 121 N 1.35 -1.04 -0.71 1.25 0.00 0.10 -1.81 119.26 118.41 3gxn h ALA 121 Ca 0.30 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.15 3gxn h ALA 121 Cb 0.20 0.75 -0.10 0.00 0.00 0.00 0.00 17.79 18.65 3gxn h ALA 121 CO -0.19 -1.10 -0.36 -1.71 0.00 0.00 0.00 179.25 175.89 3gxn n ASN 122 N -5.11 -0.64 -0.14 0.00 2.85 -0.95 -1.15 115.26 110.13 3gxn n ASN 122 Ca -0.09 1.26 -0.06 0.00 -0.11 0.00 0.00 54.58 55.58 3gxn n ASN 122 Cb 0.39 -0.21 0.03 0.00 1.24 0.00 0.00 39.78 41.22 3gxn n ASN 122 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 3gxn h TYR 123 N 0.00 0.41 0.03 1.20 3.20 -0.58 -2.62 116.97 118.61 3gxn h TYR 123 Ca 0.17 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.07 3gxn h TYR 123 Cb 0.35 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 3gxn h TYR 123 CO -0.69 0.22 -0.12 0.28 -1.64 0.00 0.00 178.16 176.21 3gxn h VAL 124 N 0.45 0.71 -0.26 1.81 2.07 -0.30 -3.03 116.25 117.70 3gxn h VAL 124 Ca 0.18 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.76 3gxn h VAL 124 Cb 0.08 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 3gxn h VAL 124 CO -0.12 0.00 -0.08 0.45 0.02 0.00 0.00 177.57 177.84 3gxn h HIS 125 N -0.22 -0.19 -1.08 1.57 3.86 -0.94 0.23 115.15 118.39 3gxn h HIS 125 Ca 0.03 0.03 0.31 0.00 -1.16 0.00 0.00 60.37 59.58 3gxn h HIS 125 Cb 0.25 0.12 -0.12 0.00 1.06 0.00 0.00 27.41 28.73 3gxn h HIS 125 CO -0.16 -0.14 0.67 0.66 0.86 0.00 0.00 177.93 179.82 3gxn h SER 126 N -0.03 0.46 0.53 2.45 4.64 -1.36 1.74 113.55 121.98 3gxn h SER 126 Ca 0.13 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3gxn h SER 126 Cb 0.23 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3gxn h SER 126 CO -0.29 -0.03 0.00 0.29 -0.87 0.00 0.00 176.83 175.93 3gxn n LYS 127 N -4.80 0.32 -0.23 4.77 4.76 0.04 -4.87 118.16 118.16 3gxn n LYS 127 Ca 0.30 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.78 3gxn n LYS 127 Cb 1.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.69 3gxn n LYS 127 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gxn n GLY 128 N 0.94 0.86 3.89 0.72 0.00 0.59 -4.97 105.19 107.22 3gxn n GLY 128 Ca 0.12 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 3gxn n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gxn s LEU 129 N 0.00 2.81 0.04 0.99 1.43 -1.04 -5.00 118.68 117.92 3gxn s LEU 129 Ca 0.00 -1.18 0.08 0.00 -1.03 0.00 0.00 54.13 52.00 3gxn s LEU 129 Cb 0.00 -1.31 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 3gxn s LEU 129 CO 0.00 -1.01 -0.22 -0.54 0.23 0.00 0.00 176.35 174.81 3gxn s LYS 130 N -4.23 1.46 -0.23 1.70 1.02 -0.23 -3.94 119.74 115.29 3gxn s LYS 130 Ca 0.36 -0.96 -0.08 0.00 0.02 0.00 0.00 55.97 55.31 3gxn s LYS 130 Cb -0.02 -1.58 -0.03 0.00 -0.52 0.00 0.00 37.83 35.68 3gxn s LYS 130 CO 0.22 0.41 0.08 -1.17 -0.92 0.00 0.00 175.35 173.96 3gxn s LEU 131 N -1.17 3.60 0.20 3.17 2.96 -1.26 0.12 118.68 126.31 3gxn s LEU 131 Ca 0.08 -0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 53.83 3gxn s LEU 131 Cb -0.09 -1.95 -0.06 0.00 0.50 0.00 0.00 46.19 44.59 3gxn s LEU 131 CO 0.02 0.03 0.47 -0.83 -1.32 0.00 0.00 176.35 174.72 3gxn s GLY 132 N 1.25 2.16 0.33 7.98 0.00 0.10 0.17 107.32 119.32 3gxn s GLY 132 Ca 0.05 -0.47 0.03 0.00 0.00 0.00 0.00 44.72 44.33 3gxn s GLY 132 CO 0.04 -0.37 0.09 -1.50 0.00 0.00 0.00 173.10 171.36 3gxn s ILE 133 N -1.80 0.88 -0.05 0.90 1.10 -0.27 -2.20 121.20 119.76 3gxn s ILE 133 Ca 0.44 -2.00 0.03 0.00 -0.51 0.00 0.00 60.65 58.60 3gxn s ILE 133 Cb -0.11 -2.63 0.01 0.00 0.15 0.00 0.00 42.46 39.87 3gxn s ILE 133 CO 0.24 0.00 -0.12 -0.47 -2.11 0.00 0.00 174.94 172.48 3gxn s TYR 134 N -3.37 1.35 0.26 3.50 5.04 -1.21 -0.73 117.35 122.18 3gxn s TYR 134 Ca 0.33 -0.43 0.00 0.00 -2.44 0.00 0.00 57.07 54.54 3gxn s TYR 134 Cb 0.07 -0.97 -0.03 0.00 0.35 0.00 0.00 41.96 41.38 3gxn s TYR 134 CO 0.15 -0.20 0.25 0.00 -1.34 0.00 0.00 175.55 174.41 3gxn s ALA 135 N 0.40 1.19 -0.05 3.97 0.00 -0.49 -4.88 121.76 121.91 3gxn s ALA 135 Ca -0.09 -1.71 0.02 0.00 0.00 0.00 0.00 51.96 50.18 3gxn s ALA 135 Cb -0.13 1.36 0.02 0.00 0.00 0.00 0.00 23.12 24.37 3gxn s ALA 135 CO 0.02 -0.66 -0.08 0.34 0.00 0.00 0.00 175.76 175.38 3gxn s ASP 136 N -3.22 1.22 0.47 0.00 -1.08 -1.26 0.56 116.67 113.36 3gxn s ASP 136 Ca 0.37 -0.19 0.20 0.00 -0.52 0.00 0.00 52.55 52.41 3gxn s ASP 136 Cb 0.04 -0.55 1.19 0.00 -1.46 0.00 0.00 42.92 42.15 3gxn s ASP 136 CO 0.17 -0.01 1.95 1.62 0.52 0.00 0.00 175.17 179.43 3gxn h VAL 137 N 5.98 0.77 -1.70 1.11 3.04 -0.74 -1.76 116.25 122.95 3gxn h VAL 137 Ca -0.35 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 3gxn h VAL 137 Cb 1.17 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 3gxn h VAL 137 CO 0.48 0.04 0.00 0.61 -1.01 0.00 0.00 177.57 177.69 3gxn n GLY 138 N -1.57 0.90 0.22 3.17 0.00 -1.24 -3.13 105.19 103.53 3gxn n GLY 138 Ca 0.12 -1.82 0.15 0.00 0.00 0.00 0.00 46.02 44.47 3gxn n GLY 138 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3gxn h ASN 139 N 0.00 0.00 -5.15 1.61 2.35 -1.08 -0.14 115.58 113.17 3gxn h ASN 139 Ca 0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 3gxn h ASN 139 Cb 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.25 3gxn h ASN 139 CO 0.00 0.00 -0.16 -0.54 -1.65 0.00 0.00 177.43 175.08 3gxn s LYS 140 N -3.50 1.14 1.05 0.81 1.02 -1.26 -1.51 119.74 117.50 3gxn s LYS 140 Ca 0.03 -0.93 -0.16 0.00 0.02 0.00 0.00 55.97 54.94 3gxn s LYS 140 Cb 0.09 0.44 0.22 0.00 -0.52 0.00 0.00 37.83 38.05 3gxn s LYS 140 CO 0.50 -0.44 1.15 0.95 -0.92 0.00 0.00 175.35 176.59 3gxn s THR 141 N -3.88 1.84 0.17 2.17 -4.23 0.20 -4.55 115.64 107.37 3gxn s THR 141 Ca 0.09 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 60.86 3gxn s THR 141 Cb 0.02 -2.63 0.27 0.00 1.34 0.00 0.00 72.50 71.49 3gxn s THR 141 CO -0.06 0.00 1.89 0.00 -0.54 0.00 0.00 174.62 175.91 3gxn h ALA 143 N 1.82 1.00 0.00 0.00 0.00 -1.99 -3.46 119.26 116.63 3gxn h ALA 143 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gxn h ALA 143 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3gxn h ALA 143 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3gxn n GLY 144 N 0.37 0.64 3.82 0.00 0.00 -0.91 -5.09 105.19 104.02 3gxn n GLY 144 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3gxn n GLY 144 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxn s PHE 145 N -2.00 2.98 0.01 1.61 0.08 -1.26 -4.72 117.98 114.68 3gxn s PHE 145 Ca 0.00 1.18 -0.37 0.00 0.12 0.00 0.00 56.93 57.86 3gxn s PHE 145 Cb 0.00 -3.06 -0.16 0.00 -0.57 0.00 0.00 43.02 39.23 3gxn s PHE 145 CO 0.00 -1.55 1.50 -0.35 -0.10 0.00 0.00 175.22 174.72 3gxn n PRO 146 N -3.29 1.37 -1.53 0.24 -0.04 -1.26 0.63 135.00 131.11 3gxn n PRO 146 Ca 0.07 0.50 -0.14 0.00 -0.04 0.00 0.00 63.50 63.88 3gxn n PRO 146 Cb 0.56 -2.18 0.08 0.00 -0.04 0.00 0.00 33.50 31.92 3gxn n PRO 146 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gxn n GLY 147 N 3.14 0.09 0.11 0.55 0.00 -0.57 -4.20 105.19 104.31 3gxn n GLY 147 Ca 0.20 -1.91 0.01 0.00 0.00 0.00 0.00 46.02 44.33 3gxn n GLY 147 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gxn n SER 148 N -3.11 1.73 -4.66 1.61 7.64 -0.12 -4.78 113.62 111.93 3gxn n SER 148 Ca 0.09 -1.59 -0.47 0.00 1.01 0.00 0.00 58.87 57.92 3gxn n SER 148 Cb 0.33 -0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.46 3gxn n SER 148 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3gxn n PHE 149 N -0.11 2.31 -0.46 1.43 7.35 -0.88 -0.78 117.46 126.32 3gxn n PHE 149 Ca 0.02 -0.09 0.00 0.00 -0.76 0.00 0.00 57.45 56.62 3gxn n PHE 149 Cb 0.18 -2.70 0.00 0.00 0.35 0.00 0.00 39.48 37.31 3gxn n PHE 149 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3gxn n GLY 150 N 4.67 0.80 0.00 7.13 0.00 -1.26 -4.90 105.19 111.63 3gxn n GLY 150 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3gxn n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxn n TYR 151 N -2.00 0.00 -0.11 1.61 4.01 0.04 -4.88 117.16 115.83 3gxn n TYR 151 Ca 0.00 -0.06 -0.10 0.00 -0.16 0.00 0.00 57.90 57.58 3gxn n TYR 151 Cb 0.00 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 38.98 3gxn n TYR 151 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 3gxn h TYR 152 N 0.00 -1.17 -0.10 -0.72 0.05 -1.88 0.34 116.97 113.49 3gxn h TYR 152 Ca 0.00 0.06 0.02 0.00 0.05 0.00 0.00 58.73 58.87 3gxn h TYR 152 Cb 0.24 0.57 -0.05 0.00 1.01 0.00 0.00 36.73 38.51 3gxn h TYR 152 CO 0.00 -0.43 -0.38 -0.44 -1.05 0.00 0.00 178.16 175.85 3gxn h ASP 153 N -0.33 -1.22 -0.32 3.88 3.32 -1.92 0.18 116.42 120.01 3gxn h ASP 153 Ca 0.14 0.14 0.05 0.00 0.02 0.00 0.00 57.03 57.39 3gxn h ASP 153 Cb 0.58 0.48 -0.05 0.00 0.22 0.00 0.00 39.33 40.56 3gxn h ASP 153 CO -0.55 -0.34 0.02 0.40 -1.72 0.00 0.00 179.24 177.05 3gxn h ILE 154 N -0.41 0.79 -0.33 0.35 2.04 -1.81 -2.89 117.51 115.25 3gxn h ILE 154 Ca 0.02 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 3gxn h ILE 154 Cb 0.48 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3gxn h ILE 154 CO -0.31 0.02 0.04 0.44 0.00 0.00 0.00 178.15 178.34 3gxn h ASP 155 N 0.12 0.46 0.26 1.72 3.45 0.07 -0.83 116.42 121.66 3gxn h ASP 155 Ca 0.15 -0.07 -0.01 0.00 0.43 0.00 0.00 57.03 57.53 3gxn h ASP 155 Cb 0.20 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 38.85 3gxn h ASP 155 CO -0.24 0.50 -0.12 0.00 -1.57 0.00 0.00 179.24 177.80 3gxn h ALA 156 N 1.56 -0.35 -0.36 3.45 0.00 -0.82 -2.03 119.26 120.70 3gxn h ALA 156 Ca 0.11 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3gxn h ALA 156 Cb 0.26 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 3gxn h ALA 156 CO 0.00 -0.64 -0.23 0.37 0.00 0.00 0.00 179.25 178.75 3gxn h GLN 157 N -0.47 -0.17 -0.66 0.00 5.75 -1.06 0.21 115.11 118.71 3gxn h GLN 157 Ca -0.04 0.01 0.14 0.00 -0.15 0.00 0.00 58.65 58.62 3gxn h GLN 157 Cb 0.35 0.04 -0.11 0.00 1.07 0.00 0.00 27.48 28.83 3gxn h GLN 157 CO 0.06 -0.12 0.01 1.15 -2.65 0.00 0.00 178.83 177.28 3gxn h THR 158 N -0.18 0.45 0.61 2.39 2.02 -1.05 0.58 112.91 117.73 3gxn h THR 158 Ca 0.18 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 3gxn h THR 158 Cb 0.46 0.32 0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3gxn h THR 158 CO -0.47 0.02 -0.29 -0.26 0.37 0.00 0.00 175.52 174.89 3gxn h PHE 159 N 0.12 -0.76 -0.94 3.16 0.04 0.04 -1.36 116.94 117.24 3gxn h PHE 159 Ca 0.35 -0.02 0.23 0.00 2.80 0.00 0.00 57.97 61.33 3gxn h PHE 159 Cb 0.58 0.25 -0.12 0.00 2.20 0.00 0.00 35.95 38.86 3gxn h PHE 159 CO -0.38 -0.43 0.48 0.00 -0.60 0.00 0.00 178.31 177.38 3gxn h ALA 160 N -0.68 1.58 -0.69 2.45 0.00 -0.24 0.12 119.26 121.80 3gxn h ALA 160 Ca -0.08 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3gxn h ALA 160 Cb 0.67 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 3gxn h ALA 160 CO 0.14 -0.31 0.41 -0.44 0.00 0.00 0.00 179.25 179.05 3gxn h ASP 161 N 0.48 0.64 1.37 0.00 3.32 0.83 -2.67 116.42 120.38 3gxn h ASP 161 Ca 0.60 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.63 3gxn h ASP 161 Cb 1.13 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 3gxn h ASP 161 CO -0.50 0.43 -0.15 -0.50 -1.72 0.00 0.00 179.24 176.79 3gxn h TRP 162 N 0.78 0.00 0.00 4.55 6.55 0.11 -3.47 115.95 124.47 3gxn h TRP 162 Ca 0.29 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.13 3gxn h TRP 162 Cb 0.11 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.41 3gxn h TRP 162 CO -0.06 0.15 0.00 0.41 -1.05 0.00 0.00 178.44 177.89 3gxn n GLY 163 N 0.59 1.68 3.77 1.49 0.00 -1.01 -4.35 105.19 107.36 3gxn n GLY 163 Ca 0.02 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3gxn n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gxn s VAL 164 N -2.00 2.31 -0.54 1.61 1.01 -1.15 -4.74 120.40 116.90 3gxn s VAL 164 Ca 0.00 0.30 0.07 0.00 0.00 0.00 0.00 61.98 62.36 3gxn s VAL 164 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3gxn s VAL 164 CO 0.00 0.07 0.44 0.47 0.00 0.00 0.00 175.10 176.08 3gxn n ASP 165 N 0.74 0.73 -3.63 3.32 8.00 0.13 -4.79 116.55 121.04 3gxn n ASP 165 Ca 0.01 -0.86 -0.14 0.00 0.71 0.00 0.00 54.79 54.51 3gxn n ASP 165 Cb 0.40 0.71 -0.07 0.00 -0.02 0.00 0.00 41.12 42.14 3gxn n ASP 165 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3gxn s LEU 166 N -1.87 -0.55 -0.06 0.64 0.20 -1.07 -1.28 118.68 114.69 3gxn s LEU 166 Ca 0.05 1.25 0.02 0.00 0.69 0.00 0.00 54.13 56.15 3gxn s LEU 166 Cb 0.06 2.31 0.01 0.00 -0.43 0.00 0.00 46.19 48.14 3gxn s LEU 166 CO 0.24 -0.28 -0.13 -0.22 -0.29 0.00 0.00 176.35 175.67 3gxn s LEU 167 N 0.14 1.69 -0.37 -0.68 2.96 0.01 -1.11 118.68 121.31 3gxn s LEU 167 Ca -0.02 -0.31 -0.12 0.00 -0.22 0.00 0.00 54.13 53.47 3gxn s LEU 167 Cb -0.04 -0.85 0.02 0.00 0.50 0.00 0.00 46.19 45.82 3gxn s LEU 167 CO 0.02 0.05 0.22 -0.75 -1.32 0.00 0.00 176.35 174.57 3gxn s LYS 168 N 0.58 2.92 -0.24 1.98 2.20 0.09 -1.09 119.74 126.18 3gxn s LYS 168 Ca -0.14 -1.02 -0.13 0.00 -0.36 0.00 0.00 55.97 54.32 3gxn s LYS 168 Cb -0.15 -3.76 -0.04 0.00 -1.51 0.00 0.00 37.83 32.36 3gxn s LYS 168 CO 0.04 -0.67 0.29 0.12 -0.36 0.00 0.00 175.35 174.77 3gxn s PHE 169 N 1.59 3.30 0.40 4.03 5.36 -0.12 -1.39 117.98 131.14 3gxn s PHE 169 Ca 0.03 0.37 0.08 0.00 -0.96 0.00 0.00 56.93 56.45 3gxn s PHE 169 Cb -0.19 -2.44 -0.00 0.00 -0.34 0.00 0.00 43.02 40.04 3gxn s PHE 169 CO 0.07 -0.07 0.48 0.34 -1.46 0.00 0.00 175.22 174.58 3gxn s ASP 170 N 1.32 5.52 -0.21 6.13 -1.08 0.19 -1.63 116.67 126.91 3gxn s ASP 170 Ca 0.13 -0.48 0.13 0.00 -0.52 0.00 0.00 52.55 51.81 3gxn s ASP 170 Cb -0.15 -0.75 0.44 0.00 -1.46 0.00 0.00 42.92 40.99 3gxn s ASP 170 CO 0.08 -0.64 1.32 0.61 0.52 0.00 0.00 175.17 177.05 3gxn n GLY 171 N -1.69 4.81 3.80 2.66 0.00 -1.26 -0.04 105.19 113.46 3gxn n GLY 171 Ca 0.05 -1.20 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 3gxn n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxn n TYR 173 N -1.19 -3.09 -3.69 0.00 4.01 -1.26 -3.59 117.16 108.34 3gxn n TYR 173 Ca 0.09 1.23 -0.14 0.00 -0.16 0.00 0.00 57.90 58.93 3gxn n TYR 173 Cb 0.52 -3.66 -0.09 0.00 -0.31 0.00 0.00 39.34 35.81 3gxn n TYR 173 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gxn n ASP 175 N 2.60 0.00 -3.71 0.00 8.00 -1.26 -4.87 116.55 117.31 3gxn n ASP 175 Ca -0.14 0.24 -0.13 0.00 0.71 0.00 0.00 54.79 55.46 3gxn n ASP 175 Cb 0.56 -0.09 -0.07 0.00 -0.02 0.00 0.00 41.12 41.51 3gxn n ASP 175 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3gxn s SER 176 N -2.10 0.60 0.15 -2.24 1.04 -1.26 -5.03 113.70 104.85 3gxn s SER 176 Ca 0.00 -1.38 -0.13 0.00 0.48 0.00 0.00 55.95 54.92 3gxn s SER 176 Cb 0.00 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.68 3gxn s SER 176 CO 0.00 -1.09 1.61 -0.07 0.98 0.00 0.00 173.24 174.67 3gxn h LEU 177 N 2.30 0.80 -0.42 2.42 4.07 -1.95 -1.10 115.31 121.42 3gxn h LEU 177 Ca -0.29 -0.29 0.04 0.00 0.08 0.00 0.00 57.88 57.41 3gxn h LEU 177 Cb 1.24 -0.21 -0.05 0.00 1.08 0.00 0.00 40.66 42.72 3gxn h LEU 177 CO 0.42 0.89 -0.25 -0.62 -1.08 0.00 0.00 178.44 177.80 3gxn n GLU 178 N -4.38 -0.19 0.11 1.13 -0.58 -1.26 -0.02 120.64 115.46 3gxn n GLU 178 Ca 0.01 0.98 -0.13 0.00 -0.42 0.00 0.00 57.16 57.60 3gxn n GLU 178 Cb 0.29 -1.46 -0.08 0.00 -0.57 0.00 0.00 31.44 29.62 3gxn n GLU 178 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3gxn h ASN 179 N 0.00 -0.22 -0.58 1.62 -0.26 -1.83 -2.69 115.58 111.64 3gxn h ASN 179 Ca 0.07 -0.17 0.12 0.00 -0.56 0.00 0.00 56.30 55.76 3gxn h ASN 179 Cb 0.17 0.06 -0.09 0.00 -1.06 0.00 0.00 38.32 37.40 3gxn h ASN 179 CO -0.40 0.05 0.03 0.25 -1.06 0.00 0.00 177.43 176.30 3gxn h LEU 180 N -0.48 -0.20 -0.67 1.61 5.85 -1.09 0.86 115.31 121.19 3gxn h LEU 180 Ca -0.03 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.88 3gxn h LEU 180 Cb 0.37 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 3gxn h LEU 180 CO 0.04 -0.08 0.38 0.00 -0.34 0.00 0.00 178.44 178.45 3gxn h ALA 181 N 1.51 0.89 -0.25 1.25 0.00 -0.34 -2.36 119.26 119.96 3gxn h ALA 181 Ca 0.30 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 3gxn h ALA 181 Cb 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3gxn h ALA 181 CO -0.47 0.09 -0.14 -0.44 0.00 0.00 0.00 179.25 178.29 3gxn h ASP 182 N 0.72 0.55 -0.20 0.00 3.32 -0.90 -2.76 116.42 117.15 3gxn h ASP 182 Ca 0.29 -0.42 0.04 0.00 0.02 0.00 0.00 57.03 56.96 3gxn h ASP 182 Cb 0.14 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 3gxn h ASP 182 CO -0.16 0.85 -0.03 1.23 -1.72 0.00 0.00 179.24 179.41 3gxn h GLY 183 N 0.25 0.16 0.68 2.75 0.00 -0.72 0.50 103.07 106.69 3gxn h GLY 183 Ca 0.05 0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.48 3gxn h GLY 183 CO 0.04 -0.06 0.22 -0.97 0.00 0.00 0.00 176.54 175.77 3gxn h TYR 184 N 0.02 0.40 0.44 5.60 0.05 -1.41 0.36 116.97 122.43 3gxn h TYR 184 Ca 0.10 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.88 3gxn h TYR 184 Cb 0.14 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.77 3gxn h TYR 184 CO -0.20 0.18 -0.21 0.87 -1.05 0.00 0.00 178.16 177.74 3gxn h LYS 185 N 0.43 -0.57 -0.39 4.88 1.57 -1.17 -2.05 116.57 119.28 3gxn h LYS 185 Ca 0.22 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.09 3gxn h LYS 185 Cb 0.16 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 3gxn h LYS 185 CO -0.18 -0.33 0.11 1.25 -0.57 0.00 0.00 179.45 179.73 3gxn h HIS 186 N -0.68 0.20 -0.23 -1.35 2.76 0.48 0.26 115.15 116.57 3gxn h HIS 186 Ca -0.06 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.15 3gxn h HIS 186 Cb 0.50 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.41 3gxn h HIS 186 CO -0.02 0.06 0.09 1.98 -1.30 0.00 0.00 177.93 178.73 3gxn h MET 187 N 0.26 0.19 -0.38 5.26 1.85 -0.32 -0.70 114.93 121.09 3gxn h MET 187 Ca 0.18 -0.01 0.08 0.00 -0.61 0.00 0.00 59.70 59.34 3gxn h MET 187 Cb 0.19 -0.04 -0.08 0.00 0.43 0.00 0.00 31.60 32.09 3gxn h MET 187 CO -0.21 0.13 -0.15 1.03 -0.40 0.00 0.00 176.91 177.31 3gxn h SER 188 N 0.20 -0.51 0.11 1.39 0.87 -0.54 -1.48 113.55 113.59 3gxn h SER 188 Ca 0.10 0.13 0.02 0.00 -1.23 0.00 0.00 61.79 60.81 3gxn h SER 188 Cb 0.06 0.30 -0.04 0.00 -0.44 0.00 0.00 62.40 62.28 3gxn h SER 188 CO -0.10 -0.18 -0.29 -0.07 -0.53 0.00 0.00 176.83 175.66 3gxn h LEU 189 N -0.07 -0.83 -0.50 2.23 3.38 -0.58 -3.05 115.31 115.89 3gxn h LEU 189 Ca 0.19 0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.36 3gxn h LEU 189 Cb 0.36 0.32 -0.10 0.00 0.09 0.00 0.00 40.66 41.33 3gxn h LEU 189 CO -0.43 -0.38 -0.15 0.00 0.09 0.00 0.00 178.44 177.58 3gxn h ALA 190 N 0.21 0.29 -0.64 1.53 0.00 -0.32 -1.62 119.26 118.71 3gxn h ALA 190 Ca 0.03 0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.24 3gxn h ALA 190 Cb 0.53 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 3gxn h ALA 190 CO -0.18 -0.47 0.23 -0.07 0.00 0.00 0.00 179.25 178.77 3gxn h LEU 191 N -0.03 0.21 -0.76 0.00 3.38 -1.24 0.94 115.31 117.82 3gxn h LEU 191 Ca 0.24 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.34 3gxn h LEU 191 Cb 0.40 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3gxn h LEU 191 CO -0.53 0.12 0.47 -1.13 0.09 0.00 0.00 178.44 177.46 3gxn h ASN 192 N 0.40 0.76 -0.40 -0.43 -0.73 -1.22 -3.07 115.58 110.89 3gxn h ASN 192 Ca 0.33 0.01 0.02 0.00 1.87 0.00 0.00 56.30 58.53 3gxn h ASN 192 Cb 0.43 -0.16 -0.03 0.00 0.27 0.00 0.00 38.32 38.84 3gxn h ASN 192 CO -0.33 0.51 0.22 -0.09 -0.37 0.00 0.00 177.43 177.37 3gxn h ARG 193 N 0.90 0.44 -0.26 6.67 2.43 -0.10 0.45 114.38 124.92 3gxn h ARG 193 Ca 0.32 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.54 3gxn h ARG 193 Cb 0.07 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3gxn h ARG 193 CO -0.13 0.29 0.68 1.79 -1.51 0.00 0.00 179.97 181.09 3gxn h THR 194 N 0.45 0.08 -0.10 0.20 1.35 -1.14 -3.45 112.91 110.31 3gxn h THR 194 Ca 0.16 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.98 3gxn h THR 194 Cb 0.03 0.38 -0.02 0.00 -1.73 0.00 0.00 68.15 66.81 3gxn h THR 194 CO -0.09 0.00 -0.04 0.61 -0.25 0.00 0.00 175.52 175.75 3gxn n GLY 195 N -1.43 0.49 3.74 5.82 0.00 0.16 -5.02 105.19 108.95 3gxn n GLY 195 Ca 0.05 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 3gxn n GLY 195 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gxn s ARG 196 N -1.23 2.81 -0.10 1.61 3.52 -1.26 -5.07 118.95 119.23 3gxn s ARG 196 Ca 0.00 -0.69 -0.30 0.00 -0.13 0.00 0.00 55.73 54.62 3gxn s ARG 196 Cb 0.00 -2.69 -0.03 0.00 -1.56 0.00 0.00 34.95 30.66 3gxn s ARG 196 CO 0.00 0.58 1.40 -1.12 -0.81 0.00 0.00 175.30 175.35 3gxn s SER 197 N -2.17 6.85 -0.15 -2.12 0.01 -1.26 -4.73 113.70 110.13 3gxn s SER 197 Ca 0.26 1.93 -0.04 0.00 1.31 0.00 0.00 55.95 59.41 3gxn s SER 197 Cb -0.12 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.64 3gxn s SER 197 CO 0.19 -0.79 0.21 -0.63 0.41 0.00 0.00 173.24 172.62 3gxn s ILE 198 N 3.42 -0.31 0.24 1.44 1.01 -1.26 -4.69 121.20 121.05 3gxn s ILE 198 Ca 0.62 0.10 -0.31 0.00 0.00 0.00 0.00 60.65 61.06 3gxn s ILE 198 Cb -0.27 -0.51 -0.11 0.00 0.01 0.00 0.00 42.46 41.58 3gxn s ILE 198 CO 0.21 -0.04 1.61 -0.69 0.00 0.00 0.00 174.94 176.04 3gxn s VAL 199 N 2.33 2.22 -0.40 2.92 1.01 -0.41 -4.83 120.40 123.24 3gxn s VAL 199 Ca 0.04 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 3gxn s VAL 199 Cb -0.14 -3.11 0.11 0.00 0.00 0.00 0.00 36.38 33.24 3gxn s VAL 199 CO -0.09 0.02 0.17 -0.47 0.00 0.00 0.00 175.10 174.73 3gxn s TYR 200 N 0.58 3.63 -0.42 5.22 5.04 -1.26 -0.81 117.35 129.32 3gxn s TYR 200 Ca 0.68 -2.58 -0.13 0.00 -2.44 0.00 0.00 57.07 52.60 3gxn s TYR 200 Cb -0.47 -3.15 0.05 0.00 0.35 0.00 0.00 41.96 38.74 3gxn s TYR 200 CO 0.39 -0.96 0.29 0.45 -1.34 0.00 0.00 175.55 174.38 3gxn s SER 201 N 1.56 5.92 -0.00 4.32 0.15 -0.25 -1.19 113.70 124.20 3gxn s SER 201 Ca 0.09 -1.18 -0.01 0.00 0.70 0.00 0.00 55.95 55.54 3gxn s SER 201 Cb -0.22 -2.09 -0.04 0.00 -1.71 0.00 0.00 66.02 61.96 3gxn s SER 201 CO -0.05 -0.51 0.13 0.00 1.20 0.00 0.00 173.24 174.01 3gxn n GLU 203 N 1.01 3.28 -0.31 0.00 1.02 -0.64 -1.13 120.64 123.87 3gxn n GLU 203 Ca -0.12 -2.65 -0.09 0.00 -0.02 0.00 0.00 57.16 54.28 3gxn n GLU 203 Cb 0.53 -1.69 -0.08 0.00 -0.02 0.00 0.00 31.44 30.18 3gxn n GLU 203 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 3gxn h TRP 204 N 3.30 -1.47 -0.93 -0.32 2.91 -1.82 -2.98 115.95 114.64 3gxn h TRP 204 Ca 0.00 0.10 -0.00 0.00 1.13 0.00 0.00 58.89 60.11 3gxn h TRP 204 Cb 1.21 0.74 -0.04 0.00 -0.51 0.00 0.00 29.16 30.56 3gxn h TRP 204 CO 0.56 -0.30 0.56 -1.35 -1.03 0.00 0.00 178.44 176.89 3gxn h PRO 205 N -0.03 1.26 -0.90 2.65 0.11 -1.87 -2.11 132.00 131.12 3gxn h PRO 205 Ca 0.12 -0.11 0.11 0.00 0.11 0.00 0.00 66.00 66.23 3gxn h PRO 205 Cb 0.33 -0.26 -0.08 0.00 0.11 0.00 0.00 31.00 31.10 3gxn h PRO 205 CO -0.71 0.88 0.53 1.25 -0.21 0.00 0.00 178.00 179.74 3gxn h LEU 206 N 1.28 0.76 0.00 2.35 5.85 -1.30 0.13 115.31 124.38 3gxn h LEU 206 Ca 0.33 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.11 3gxn h LEU 206 Cb -0.06 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3gxn h LEU 206 CO -0.06 0.41 0.00 -1.22 -0.34 0.00 0.00 178.44 177.22 3gxn n TYR 207 N -4.71 0.00 0.13 1.25 4.01 -0.81 -3.86 117.16 113.17 3gxn n TYR 207 Ca 0.16 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.67 3gxn n TYR 207 Cb 0.33 -0.42 -0.15 0.00 -0.31 0.00 0.00 39.34 38.78 3gxn n TYR 207 CO 0.00 0.00 0.00 0.52 -0.46 0.00 0.00 176.86 176.92 3gxn h MET 208 N 0.00 0.47 -7.15 -0.72 2.86 -0.72 -3.45 114.93 106.23 3gxn h MET 208 Ca 0.00 -0.81 -0.49 0.00 -2.06 0.00 0.00 59.70 56.34 3gxn h MET 208 Cb 0.40 0.30 0.06 0.00 0.06 0.00 0.00 31.60 32.42 3gxn h MET 208 CO 0.00 1.38 0.39 -1.58 1.06 0.00 0.00 176.91 178.16 3gxn s TRP 209 N -2.61 2.90 -0.58 -0.22 0.52 -1.18 -0.25 118.94 117.53 3gxn s TRP 209 Ca -0.09 1.54 -0.02 0.00 0.02 0.00 0.00 56.10 57.54 3gxn s TRP 209 Cb 0.05 -3.08 0.32 0.00 -1.15 0.00 0.00 33.47 29.61 3gxn s TRP 209 CO 0.92 -1.18 2.13 -0.35 0.02 0.00 0.00 176.95 178.49 3gxn n PRO 210 N -1.71 2.42 -0.00 4.98 -0.04 -1.26 -4.93 135.00 134.46 3gxn n PRO 210 Ca 0.09 -2.73 0.09 0.00 -0.04 0.00 0.00 63.50 60.91 3gxn n PRO 210 Cb 0.52 -2.08 -0.11 0.00 -0.04 0.00 0.00 33.50 31.79 3gxn n PRO 210 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3gxn n PHE 211 N -0.28 0.00 0.00 0.54 3.72 0.66 -4.97 117.46 117.13 3gxn n PHE 211 Ca 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.91 3gxn n PHE 211 Cb 0.55 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 3gxn n PHE 211 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gxn n GLN 212 N -1.51 0.00 -1.56 -1.08 10.64 -1.11 -5.12 117.38 117.64 3gxn n GLN 212 Ca 0.03 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.83 3gxn n GLN 212 Cb 0.32 0.00 0.06 0.00 -0.86 0.00 0.00 30.24 29.75 3gxn n GLN 212 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3gxn n LYS 213 N -0.97 0.75 -3.28 2.61 4.01 -1.26 -4.04 118.16 115.98 3gxn n LYS 213 Ca 0.00 0.30 -0.33 0.00 -0.51 0.00 0.00 58.31 57.77 3gxn n LYS 213 Cb 0.00 -2.08 -0.06 0.00 -0.51 0.00 0.00 35.03 32.38 3gxn n LYS 213 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 3gxn s PRO 214 N -2.73 3.94 -0.66 1.97 0.05 -1.26 -4.98 135.00 131.34 3gxn s PRO 214 Ca 0.75 0.50 -0.27 0.00 0.05 0.00 0.00 61.00 62.02 3gxn s PRO 214 Cb -0.41 -2.63 0.02 0.00 0.05 0.00 0.00 34.50 31.54 3gxn s PRO 214 CO 0.48 0.29 1.32 1.21 0.05 0.00 0.00 177.00 180.36 3gxn s ASN 215 N -2.17 6.16 0.17 6.66 3.84 -1.26 -4.89 114.94 123.46 3gxn s ASN 215 Ca 0.48 -0.11 -0.07 0.00 0.21 0.00 0.00 52.86 53.37 3gxn s ASN 215 Cb -0.12 -2.55 0.06 0.00 -0.55 0.00 0.00 41.25 38.08 3gxn s ASN 215 CO 0.19 -1.76 1.51 1.88 -2.79 0.00 0.00 177.10 176.13 3gxn h TYR 216 N 10.45 0.93 -0.95 0.43 0.05 -1.95 -2.34 116.97 123.58 3gxn h TYR 216 Ca -0.27 -0.29 0.11 0.00 0.05 0.00 0.00 58.73 58.33 3gxn h TYR 216 Cb 1.07 -0.19 -0.08 0.00 1.01 0.00 0.00 36.73 38.54 3gxn h TYR 216 CO 1.08 1.06 0.59 1.15 -1.05 0.00 0.00 178.16 180.99 3gxn h THR 217 N 0.62 0.93 0.25 -2.88 2.02 -1.95 0.13 112.91 112.03 3gxn h THR 217 Ca 0.04 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 3gxn h THR 217 Cb 0.99 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3gxn h THR 217 CO 0.09 0.17 -0.12 -0.08 0.37 0.00 0.00 175.52 175.96 3gxn h GLU 218 N 0.95 -0.32 -0.47 6.66 4.81 -1.89 -2.77 114.58 121.54 3gxn h GLU 218 Ca 0.46 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.74 3gxn h GLU 218 Cb 0.43 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 3gxn h GLU 218 CO -0.26 -0.12 0.28 0.82 -0.73 0.00 0.00 179.01 179.00 3gxn h ILE 219 N -0.48 1.04 -0.75 2.32 2.04 -1.01 -1.55 117.51 119.12 3gxn h ILE 219 Ca -0.03 -0.19 0.21 0.00 1.00 0.00 0.00 64.86 65.84 3gxn h ILE 219 Cb 0.36 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3gxn h ILE 219 CO 0.06 0.10 0.53 -0.09 0.00 0.00 0.00 178.15 178.75 3gxn h ARG 220 N 0.55 0.05 0.00 2.37 2.43 -0.69 0.59 114.38 119.68 3gxn h ARG 220 Ca 0.19 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3gxn h ARG 220 Cb 0.03 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3gxn h ARG 220 CO -0.09 0.04 0.00 1.96 -1.51 0.00 0.00 179.97 180.36 3gxn h GLN 221 N 0.05 0.00 0.00 0.20 4.20 -0.98 2.26 115.11 120.84 3gxn h GLN 221 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 3gxn h GLN 221 Cb 1.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.13 3gxn h GLN 221 CO -0.02 0.00 -0.97 0.66 -0.67 0.00 0.00 178.83 177.83 3gxn n TYR 222 N -2.78 0.00 -4.72 2.96 4.01 0.05 -4.27 117.16 112.40 3gxn n TYR 222 Ca 0.02 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.53 3gxn n TYR 222 Cb 0.36 -0.08 -0.15 0.00 -0.31 0.00 0.00 39.34 39.16 3gxn n TYR 222 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gxn h ASN 224 N 5.98 0.58 -5.08 0.00 -0.26 -1.33 -3.06 115.58 112.41 3gxn h ASN 224 Ca -0.34 -0.27 0.02 0.00 -0.56 0.00 0.00 56.30 55.15 3gxn h ASN 224 Cb 1.16 -0.16 -0.07 0.00 -1.06 0.00 0.00 38.32 38.19 3gxn h ASN 224 CO 0.48 0.94 0.11 -1.38 -1.06 0.00 0.00 177.43 176.52 3gxn s HIS 225 N -4.18 -0.05 -0.06 1.19 -3.43 -1.19 -0.28 115.29 107.28 3gxn s HIS 225 Ca -0.07 -0.35 -0.13 0.00 -0.80 0.00 0.00 55.06 53.70 3gxn s HIS 225 Cb 0.12 0.52 0.03 0.00 -1.43 0.00 0.00 32.58 31.82 3gxn s HIS 225 CO 0.82 -1.11 0.32 1.67 -2.00 0.00 0.00 174.74 174.44 3gxn s TRP 226 N -3.93 -0.25 -0.08 0.38 -2.14 -0.71 -0.23 118.94 111.97 3gxn s TRP 226 Ca 0.13 0.52 -0.19 0.00 2.66 0.00 0.00 56.10 59.22 3gxn s TRP 226 Cb -0.04 0.11 -0.04 0.00 -3.10 0.00 0.00 33.47 30.39 3gxn s TRP 226 CO 0.05 -0.30 0.53 1.03 -2.66 0.00 0.00 176.95 175.60 3gxn s ARG 227 N -0.70 4.32 -0.17 3.25 1.81 -0.29 -0.77 118.95 126.40 3gxn s ARG 227 Ca -0.08 0.57 -0.06 0.00 -1.72 0.00 0.00 55.73 54.44 3gxn s ARG 227 Cb -0.04 -3.40 -0.08 0.00 -0.45 0.00 0.00 34.95 30.98 3gxn s ARG 227 CO 0.03 0.23 -0.21 0.09 -0.68 0.00 0.00 175.30 174.76 3gxn n ASN 228 N 3.33 1.60 -4.86 0.23 3.02 -1.22 -2.24 115.26 115.12 3gxn n ASN 228 Ca -0.07 0.14 -0.29 0.00 -0.03 0.00 0.00 54.58 54.34 3gxn n ASN 228 Cb 0.51 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 3gxn n ASN 228 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3gxn s PHE 229 N -2.32 1.67 1.02 3.10 5.36 -1.26 -4.25 117.98 121.30 3gxn s PHE 229 Ca -0.24 -0.89 -0.15 0.00 -0.96 0.00 0.00 56.93 54.69 3gxn s PHE 229 Cb 0.09 -1.80 0.15 0.00 -0.34 0.00 0.00 43.02 41.11 3gxn s PHE 229 CO 0.33 -0.25 0.20 0.00 -1.46 0.00 0.00 175.22 174.04 3gxn n ALA 230 N -1.61 -1.31 -1.87 11.12 0.00 -1.26 -4.95 120.51 120.64 3gxn n ALA 230 Ca -0.08 -1.07 -0.36 0.00 0.00 0.00 0.00 53.44 51.93 3gxn n ALA 230 Cb 0.65 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 19.10 3gxn n ALA 230 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gxn s ASP 231 N -1.91 7.22 0.32 0.00 1.01 -1.26 -4.96 116.67 117.09 3gxn s ASP 231 Ca 0.38 1.71 -0.18 0.00 0.71 0.00 0.00 52.55 55.17 3gxn s ASP 231 Cb -0.06 -2.53 -0.09 0.00 1.01 0.00 0.00 42.92 41.24 3gxn s ASP 231 CO 0.39 -0.07 0.79 -0.51 0.21 0.00 0.00 175.17 175.98 3gxn s ILE 232 N -1.66 4.55 0.40 0.77 2.07 -1.26 -5.04 121.20 121.03 3gxn s ILE 232 Ca 0.50 1.22 0.04 0.00 -1.41 0.00 0.00 60.65 61.00 3gxn s ILE 232 Cb -0.17 -3.71 -0.01 0.00 0.13 0.00 0.00 42.46 38.70 3gxn s ILE 232 CO 0.22 -0.08 0.14 -0.90 -1.91 0.00 0.00 174.94 172.40 3gxn n ASP 233 N -0.05 1.30 -3.56 4.50 3.85 -1.26 -4.99 116.55 116.33 3gxn n ASP 233 Ca 0.03 -3.10 -0.39 0.00 -0.71 0.00 0.00 54.79 50.61 3gxn n ASP 233 Cb 0.52 0.97 -0.03 0.00 -1.35 0.00 0.00 41.12 41.24 3gxn n ASP 233 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 3gxn n ASP 234 N -1.53 3.74 -3.74 -1.12 -0.08 -1.26 -4.76 116.55 107.80 3gxn n ASP 234 Ca -0.06 -2.67 -0.13 0.00 -1.51 0.00 0.00 54.79 50.42 3gxn n ASP 234 Cb 0.59 -1.30 -0.08 0.00 2.34 0.00 0.00 41.12 42.67 3gxn n ASP 234 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 3gxn s SER 235 N 4.02 -0.22 0.30 1.67 1.04 -1.26 -4.23 113.70 115.02 3gxn s SER 235 Ca 0.53 0.10 -0.01 0.00 0.48 0.00 0.00 55.95 57.05 3gxn s SER 235 Cb 0.14 0.34 0.47 0.00 0.10 0.00 0.00 66.02 67.06 3gxn s SER 235 CO 0.02 -0.49 1.92 -0.25 0.98 0.00 0.00 173.24 175.42 3gxn h TRP 236 N 3.69 0.91 -0.57 5.02 -0.00 -1.89 -2.07 115.95 121.04 3gxn h TRP 236 Ca -0.30 -0.02 0.11 0.00 -0.00 0.00 0.00 58.89 58.68 3gxn h TRP 236 Cb 1.18 -0.29 -0.11 0.00 -0.00 0.00 0.00 29.16 29.93 3gxn h TRP 236 CO 0.50 0.65 -0.24 -0.22 -0.00 0.00 0.00 178.44 179.13 3gxn h LYS 237 N 0.93 -0.09 0.49 2.65 1.63 -1.95 1.05 116.57 121.27 3gxn h LYS 237 Ca 0.23 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.02 3gxn h LYS 237 Cb 0.06 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 3gxn h LYS 237 CO -0.03 -0.06 -0.24 1.03 -3.45 0.00 0.00 179.45 176.70 3gxn h SER 238 N -0.09 -0.56 -0.01 4.20 0.87 -1.82 -0.41 113.55 115.73 3gxn h SER 238 Ca 0.26 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.86 3gxn h SER 238 Cb 0.50 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 3gxn h SER 238 CO -0.64 -0.40 -0.10 0.40 -0.53 0.00 0.00 176.83 175.56 3gxn h ILE 239 N -0.66 0.74 -0.69 2.23 2.04 -0.50 -0.71 117.51 119.97 3gxn h ILE 239 Ca -0.07 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.92 3gxn h ILE 239 Cb 0.50 0.74 -0.13 0.00 -0.74 0.00 0.00 36.82 37.19 3gxn h ILE 239 CO 0.11 0.00 -0.29 0.11 0.00 0.00 0.00 178.15 178.08 3gxn h LYS 240 N -0.17 -0.09 0.00 2.37 1.57 0.13 -1.38 116.57 119.00 3gxn h LYS 240 Ca 0.04 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 3gxn h LYS 240 Cb 0.22 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3gxn h LYS 240 CO -0.11 -0.06 -0.57 0.66 -0.57 0.00 0.00 179.45 178.80 3gxn h SER 241 N -0.09 0.00 0.02 0.86 4.64 0.02 0.18 113.55 119.18 3gxn h SER 241 Ca 0.29 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3gxn h SER 241 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3gxn h SER 241 CO -0.74 0.57 -0.01 0.40 -0.87 0.00 0.00 176.83 176.18 3gxn h ILE 242 N 0.00 1.28 -0.19 0.95 2.04 -0.85 -2.33 117.51 118.41 3gxn h ILE 242 Ca -0.01 -0.96 0.05 0.00 1.00 0.00 0.00 64.86 64.94 3gxn h ILE 242 Cb 1.19 1.92 -0.05 0.00 -0.74 0.00 0.00 36.82 39.14 3gxn h ILE 242 CO 0.07 0.24 -0.12 -0.07 0.00 0.00 0.00 178.15 178.28 3gxn h LEU 243 N -0.45 -0.40 -2.15 1.44 3.38 -0.62 -0.89 115.31 115.62 3gxn h LEU 243 Ca -0.00 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3gxn h LEU 243 Cb 0.42 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 3gxn h LEU 243 CO 0.01 -0.16 0.02 0.44 0.09 0.00 0.00 178.44 178.83 3gxn h ASP 244 N -0.12 0.00 0.04 -0.43 3.32 -0.68 -0.09 116.42 118.47 3gxn h ASP 244 Ca 0.11 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.90 3gxn h ASP 244 Cb 0.28 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 3gxn h ASP 244 CO -0.27 0.00 -1.40 -0.25 -1.72 0.00 0.00 179.24 175.60 3gxn h TRP 245 N 0.00 0.16 -0.96 4.55 7.01 -0.79 -1.26 115.95 124.67 3gxn h TRP 245 Ca 0.01 -0.12 0.18 0.00 2.11 0.00 0.00 58.89 61.07 3gxn h TRP 245 Cb 0.05 -0.01 -0.10 0.00 -2.10 0.00 0.00 29.16 27.00 3gxn h TRP 245 CO 0.00 1.55 0.56 1.15 -2.79 0.00 0.00 178.44 178.91 3gxn h THR 246 N -0.67 0.72 -0.37 2.65 2.02 -1.05 -1.64 112.91 114.56 3gxn h THR 246 Ca -0.35 -0.25 -0.10 0.00 0.77 0.00 0.00 66.41 66.48 3gxn h THR 246 Cb 1.51 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3gxn h THR 246 CO -0.10 0.13 -0.17 -1.28 0.37 0.00 0.00 175.52 174.47 3gxn h SER 247 N 0.73 0.79 0.00 4.18 0.87 -1.03 -2.87 113.55 116.23 3gxn h SER 247 Ca 0.54 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3gxn h SER 247 Cb 0.81 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 3gxn h SER 247 CO -0.38 1.02 0.00 0.33 -0.53 0.00 0.00 176.83 177.27 3gxn n PHE 248 N -4.29 0.00 -2.00 2.24 7.35 -0.48 -3.54 117.46 116.73 3gxn n PHE 248 Ca -0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 3gxn n PHE 248 Cb 0.40 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.23 3gxn n PHE 248 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3gxn n ASN 249 N -0.71 0.01 0.46 -2.13 3.02 -1.02 -4.98 115.26 109.91 3gxn n ASN 249 Ca 0.06 -1.76 -0.20 0.00 -0.03 0.00 0.00 54.58 52.66 3gxn n ASN 249 Cb 0.03 -0.15 -0.10 0.00 -0.61 0.00 0.00 39.78 38.95 3gxn n ASN 249 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 3gxn h GLN 250 N 0.01 -1.13 -0.96 3.52 3.07 -1.56 -2.98 115.11 115.07 3gxn h GLN 250 Ca -0.00 0.08 0.16 0.00 0.09 0.00 0.00 58.65 58.98 3gxn h GLN 250 Cb 1.31 0.26 -0.16 0.00 0.08 0.00 0.00 27.48 28.96 3gxn h GLN 250 CO 0.00 -0.75 -0.33 0.39 0.09 0.00 0.00 178.83 178.23 3gxn n GLU 251 N -5.60 -0.18 -0.31 0.06 4.71 -1.26 0.17 120.64 118.22 3gxn n GLU 251 Ca -0.15 1.49 0.17 0.00 -0.01 0.00 0.00 57.16 58.65 3gxn n GLU 251 Cb 0.47 -2.21 0.35 0.00 -1.01 0.00 0.00 31.44 29.04 3gxn n GLU 251 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3gxn h ARG 252 N 0.00 0.25 0.00 3.49 3.08 -1.94 -3.34 114.38 115.92 3gxn h ARG 252 Ca 0.37 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.41 3gxn h ARG 252 Cb 0.62 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3gxn h ARG 252 CO -0.97 0.16 -0.91 0.44 -1.07 0.00 0.00 179.97 177.63 3gxn n ILE 253 N -5.16 0.00 -0.15 2.04 -5.35 0.44 -4.71 119.36 106.46 3gxn n ILE 253 Ca 0.25 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.76 3gxn n ILE 253 Cb 0.78 -0.83 0.32 0.00 -1.74 0.00 0.00 39.64 38.17 3gxn n ILE 253 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 3gxn h VAL 254 N 0.00 1.13 0.00 7.28 3.04 -0.64 -3.07 116.25 123.99 3gxn h VAL 254 Ca 0.00 -0.29 -0.19 0.00 -1.01 0.00 0.00 66.70 65.22 3gxn h VAL 254 Cb 0.86 0.22 -0.03 0.00 -2.01 0.00 0.00 31.29 30.33 3gxn h VAL 254 CO 0.00 0.15 -0.93 -0.78 -1.01 0.00 0.00 177.57 175.01 3gxn h ASP 255 N 0.84 0.00 0.71 3.17 -0.00 -1.77 -3.24 116.42 116.13 3gxn h ASP 255 Ca 0.25 0.00 -0.13 0.00 -0.00 0.00 0.00 57.03 57.15 3gxn h ASP 255 Cb -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.30 3gxn h ASP 255 CO -0.06 0.85 -0.62 -0.37 -0.00 0.00 0.00 179.24 179.04 3gxn h VAL 256 N 0.00 1.38 -3.91 2.25 -1.51 -1.82 -3.46 116.25 109.19 3gxn h VAL 256 Ca -0.03 -2.17 -0.53 0.00 -1.23 0.00 0.00 66.70 62.74 3gxn h VAL 256 Cb 1.68 2.19 0.08 0.00 -2.13 0.00 0.00 31.29 33.11 3gxn h VAL 256 CO 0.11 0.61 0.66 0.00 -1.23 0.00 0.00 177.57 177.72 3gxn s ALA 257 N -3.50 3.47 -0.07 5.19 0.00 -1.22 -4.96 121.76 120.67 3gxn s ALA 257 Ca -0.01 1.33 -0.30 0.00 0.00 0.00 0.00 51.96 52.98 3gxn s ALA 257 Cb 0.12 -3.51 0.11 0.00 0.00 0.00 0.00 23.12 19.84 3gxn s ALA 257 CO 0.76 -0.77 1.35 0.20 0.00 0.00 0.00 175.76 177.30 3gxn s GLY 258 N -0.45 -0.24 0.12 0.00 0.00 -0.61 -4.51 107.32 101.64 3gxn s GLY 258 Ca 0.51 0.25 -0.35 0.00 0.00 0.00 0.00 44.72 45.13 3gxn s GLY 258 CO 0.55 5.38 1.27 -1.05 0.00 0.00 0.00 173.10 179.25 3gxn n PRO 259 N -0.88 1.16 -0.98 2.90 -0.02 -1.26 -1.43 135.00 134.49 3gxn n PRO 259 Ca 0.03 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3gxn n PRO 259 Cb 0.59 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 3gxn n PRO 259 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gxn n GLY 260 N 2.32 0.75 3.15 -1.23 0.00 -0.94 -4.90 105.19 104.34 3gxn n GLY 260 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.23 3gxn n GLY 260 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gxn s GLY 261 N -2.00 -1.10 0.08 -0.02 0.00 -0.51 -2.24 107.32 101.52 3gxn s GLY 261 Ca 0.00 1.49 0.08 0.00 0.00 0.00 0.00 44.72 46.29 3gxn s GLY 261 CO 0.00 3.70 -0.16 -0.98 0.00 0.00 0.00 173.10 175.66 3gxn s TRP 262 N 2.86 2.59 0.09 1.90 0.52 0.61 -1.57 118.94 125.95 3gxn s TRP 262 Ca 0.14 -0.24 -0.30 0.00 0.02 0.00 0.00 56.10 55.73 3gxn s TRP 262 Cb -0.10 -1.42 -0.06 0.00 -1.15 0.00 0.00 33.47 30.75 3gxn s TRP 262 CO -0.24 0.34 1.14 -0.80 0.02 0.00 0.00 176.95 177.41 3gxn s ASN 263 N -1.84 7.17 -0.38 2.95 0.01 -1.26 -1.75 114.94 119.85 3gxn s ASN 263 Ca 0.17 2.00 -0.04 0.00 -0.71 0.00 0.00 52.86 54.28 3gxn s ASN 263 Cb -0.11 -2.59 0.08 0.00 0.41 0.00 0.00 41.25 39.05 3gxn s ASN 263 CO 0.09 -0.36 0.16 -0.62 -1.51 0.00 0.00 177.10 174.85 3gxn s ASP 264 N 0.66 5.26 0.00 -1.22 2.15 0.05 -4.27 116.67 119.30 3gxn s ASP 264 Ca 0.55 -1.65 0.28 0.00 0.43 0.00 0.00 52.55 52.16 3gxn s ASP 264 Cb -0.29 -1.84 1.13 0.00 -0.30 0.00 0.00 42.92 41.62 3gxn s ASP 264 CO 0.31 -0.46 1.79 -0.81 -0.17 0.00 0.00 175.17 175.83 3gxn n PRO 265 N 4.69 1.29 0.00 4.34 -0.04 -1.26 -3.37 135.00 140.65 3gxn n PRO 265 Ca -0.08 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 3gxn n PRO 265 Cb 0.42 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 3gxn n PRO 265 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3gxn n ASP 266 N -0.29 0.00 -4.79 3.54 -0.08 -1.26 -4.86 116.55 108.81 3gxn n ASP 266 Ca 0.18 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 53.14 3gxn n ASP 266 Cb 0.31 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.84 3gxn n ASP 266 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3gxn s MET 267 N -0.68 2.60 -0.14 -0.67 -1.94 -1.26 -4.84 119.30 112.37 3gxn s MET 267 Ca 0.00 1.13 -0.25 0.00 -1.71 0.00 0.00 55.69 54.85 3gxn s MET 267 Cb 0.00 -1.94 -0.02 0.00 2.01 0.00 0.00 34.83 34.88 3gxn s MET 267 CO 0.00 -1.37 0.83 -0.51 -0.01 0.00 0.00 175.02 173.96 3gxn s LEU 268 N -5.59 4.21 -0.11 -0.03 1.43 0.08 -4.91 118.68 113.76 3gxn s LEU 268 Ca 0.61 1.22 0.14 0.00 -1.03 0.00 0.00 54.13 55.07 3gxn s LEU 268 Cb -0.16 -3.25 0.43 0.00 0.03 0.00 0.00 46.19 43.24 3gxn s LEU 268 CO 0.53 -0.36 1.35 1.33 0.23 0.00 0.00 176.35 179.43 3gxn n VAL 269 N 4.56 1.78 -2.31 -1.59 0.24 -1.26 -0.87 118.33 118.87 3gxn n VAL 269 Ca 0.04 -1.54 -0.41 0.00 -2.04 0.00 0.00 64.34 60.39 3gxn n VAL 269 Cb 0.49 0.04 -0.03 0.00 -1.47 0.00 0.00 33.84 32.87 3gxn n VAL 269 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3gxn s ILE 270 N -2.11 3.40 0.00 1.34 1.01 -1.26 -3.34 121.20 120.24 3gxn s ILE 270 Ca 0.34 1.18 0.00 0.00 0.00 0.00 0.00 60.65 62.17 3gxn s ILE 270 Cb 0.25 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.97 3gxn s ILE 270 CO 0.11 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.85 3gxn n GLY 271 N 2.19 2.03 0.00 6.18 0.00 -1.26 -4.83 105.19 109.50 3gxn n GLY 271 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3gxn n GLY 271 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gxn n ASN 272 N 0.00 0.00 0.00 1.61 3.02 -1.21 -4.65 115.26 114.03 3gxn n ASN 272 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3gxn n ASN 272 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3gxn n ASN 272 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3gxn n PHE 273 N 0.00 0.00 0.10 3.10 3.72 -1.26 -4.88 117.46 118.24 3gxn n PHE 273 Ca 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 3gxn n PHE 273 Cb 0.00 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.40 3gxn n PHE 273 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3gxn h GLY 274 N 0.00 0.35 -4.86 1.37 0.00 -1.90 -3.47 103.07 94.56 3gxn h GLY 274 Ca 0.00 -0.88 -0.68 0.00 0.00 0.00 0.00 47.33 45.77 3gxn h GLY 274 CO 0.00 0.77 -0.71 1.08 0.00 0.00 0.00 176.54 177.68 3gxn s LEU 275 N -7.15 3.11 0.00 3.11 1.43 -1.26 -4.49 118.68 113.43 3gxn s LEU 275 Ca -0.07 -0.13 -0.08 0.00 -1.03 0.00 0.00 54.13 52.83 3gxn s LEU 275 Cb 0.07 -1.75 0.11 0.00 0.03 0.00 0.00 46.19 44.65 3gxn s LEU 275 CO 0.88 0.31 0.43 -1.54 0.23 0.00 0.00 176.35 176.66 3gxn n SER 276 N 1.79 -1.28 0.18 2.29 3.41 -1.26 -4.75 113.62 114.00 3gxn n SER 276 Ca -0.16 -0.80 -0.13 0.00 -0.26 0.00 0.00 58.87 57.52 3gxn n SER 276 Cb 0.53 -0.39 -0.07 0.00 -0.26 0.00 0.00 64.21 64.01 3gxn n SER 276 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 3gxn h TRP 277 N -1.91 -0.45 -0.64 7.33 2.91 -2.00 -1.76 115.95 119.43 3gxn h TRP 277 Ca -0.16 -0.01 0.08 0.00 1.13 0.00 0.00 58.89 59.93 3gxn h TRP 277 Cb 0.48 0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 29.24 3gxn h TRP 277 CO 0.00 -0.11 0.43 -0.91 -1.03 0.00 0.00 178.44 176.81 3gxn h ASN 278 N -0.87 0.50 -0.48 2.65 2.35 -1.93 0.19 115.58 118.00 3gxn h ASN 278 Ca -0.05 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 3gxn h ASN 278 Cb 0.53 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 3gxn h ASN 278 CO 0.08 0.32 0.06 1.56 -1.65 0.00 0.00 177.43 177.80 3gxn h GLN 279 N 0.57 0.81 -0.70 0.81 4.20 -1.65 -0.60 115.11 118.54 3gxn h GLN 279 Ca 0.29 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 3gxn h GLN 279 Cb 0.39 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 3gxn h GLN 279 CO -0.09 0.82 0.26 1.96 -0.67 0.00 0.00 178.83 181.11 3gxn h GLN 280 N 0.67 1.06 -0.56 1.46 4.20 -0.09 -1.58 115.11 120.28 3gxn h GLN 280 Ca 0.14 -0.21 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 3gxn h GLN 280 Cb 0.42 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 3gxn h GLN 280 CO 0.01 0.89 0.10 -0.39 -0.67 0.00 0.00 178.83 178.77 3gxn h VAL 281 N 1.01 1.24 -0.78 -0.54 -1.51 -0.54 -1.50 116.25 113.63 3gxn h VAL 281 Ca 0.23 -0.91 0.10 0.00 -1.23 0.00 0.00 66.70 64.88 3gxn h VAL 281 Cb 0.24 0.71 -0.07 0.00 -2.13 0.00 0.00 31.29 30.04 3gxn h VAL 281 CO -0.01 0.34 0.42 0.74 -1.23 0.00 0.00 177.57 177.83 3gxn h THR 282 N 0.84 0.88 0.35 7.19 2.02 -0.32 -0.19 112.91 123.68 3gxn h THR 282 Ca 0.18 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 3gxn h THR 282 Cb 0.36 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 3gxn h THR 282 CO 0.01 0.13 -0.17 -0.61 0.37 0.00 0.00 175.52 175.25 3gxn h GLN 283 N 0.71 -0.45 -0.02 6.66 4.15 -0.59 0.34 115.11 125.92 3gxn h GLN 283 Ca 0.38 0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.85 3gxn h GLN 283 Cb 0.37 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 3gxn h GLN 283 CO -0.26 -0.15 -0.09 1.98 -1.93 0.00 0.00 178.83 178.38 3gxn h MET 284 N -0.76 -0.14 0.16 1.69 4.05 -1.03 0.31 114.93 119.21 3gxn h MET 284 Ca -0.05 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.40 3gxn h MET 284 Cb 0.51 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.30 3gxn h MET 284 CO 0.08 -0.09 -0.34 0.00 0.23 0.00 0.00 176.91 176.79 3gxn h ALA 285 N 0.86 -0.61 -0.08 0.39 0.00 -1.09 -2.35 119.26 116.38 3gxn h ALA 285 Ca 0.04 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3gxn h ALA 285 Cb 0.20 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3gxn h ALA 285 CO -0.11 -0.90 -0.28 -0.07 0.00 0.00 0.00 179.25 177.90 3gxn h LEU 286 N -0.59 0.14 -1.40 0.00 4.07 -0.31 -1.33 115.31 115.90 3gxn h LEU 286 Ca 0.02 -0.04 -0.06 0.00 0.08 0.00 0.00 57.88 57.88 3gxn h LEU 286 Cb 0.60 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 3gxn h LEU 286 CO -0.18 0.43 -0.28 -0.50 -1.08 0.00 0.00 178.44 176.83 3gxn h TRP 287 N 0.13 0.00 0.17 1.13 -0.00 -0.29 -0.73 115.95 116.36 3gxn h TRP 287 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.90 3gxn h TRP 287 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.73 3gxn h TRP 287 CO 0.01 0.28 -0.08 0.00 -0.00 0.00 0.00 178.44 178.65 3gxn h ALA 288 N 1.72 -0.22 -0.99 1.49 0.00 -0.70 -2.57 119.26 117.98 3gxn h ALA 288 Ca -0.00 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 54.88 3gxn h ALA 288 Cb 0.60 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.38 3gxn h ALA 288 CO 0.04 -0.40 0.61 0.82 0.00 0.00 0.00 179.25 180.32 3gxn h ILE 289 N -0.68 0.72 0.00 0.00 1.08 -1.29 -2.05 117.51 115.28 3gxn h ILE 289 Ca -0.02 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 3gxn h ILE 289 Cb 0.49 -0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.19 3gxn h ILE 289 CO 0.04 0.13 0.00 0.23 -0.69 0.00 0.00 178.15 177.86 3gxn n MET 290 N -4.69 0.91 -4.05 2.37 2.81 -0.29 -1.43 117.12 112.75 3gxn n MET 290 Ca 0.22 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.82 3gxn n MET 290 Cb 0.58 -1.17 -0.07 0.00 -0.71 0.00 0.00 33.22 31.85 3gxn n MET 290 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gxn n ALA 291 N -0.67 -1.96 -2.35 3.04 0.00 -0.77 -4.80 120.51 113.00 3gxn n ALA 291 Ca 0.08 -0.39 -0.30 0.00 0.00 0.00 0.00 53.44 52.83 3gxn n ALA 291 Cb 0.03 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 3gxn n ALA 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gxn s ALA 292 N -4.10 3.49 0.66 0.00 0.00 -0.98 -4.58 121.76 116.25 3gxn s ALA 292 Ca 0.08 -0.37 -0.16 0.00 0.00 0.00 0.00 51.96 51.51 3gxn s ALA 292 Cb -0.05 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.57 3gxn s ALA 292 CO 0.85 0.14 1.17 -2.14 0.00 0.00 0.00 175.76 175.78 3gxn s PRO 293 N -3.64 2.62 -0.45 0.00 0.02 -1.26 -4.77 135.00 127.52 3gxn s PRO 293 Ca 0.48 1.66 0.03 0.00 0.02 0.00 0.00 61.00 63.19 3gxn s PRO 293 Cb -0.11 -1.90 0.12 0.00 0.02 0.00 0.00 34.50 32.63 3gxn s PRO 293 CO 0.30 -1.44 0.19 -0.51 -0.33 0.00 0.00 177.00 175.21 3gxn s LEU 294 N -4.70 4.58 -0.29 -5.54 1.43 0.50 -4.91 118.68 109.75 3gxn s LEU 294 Ca 0.73 -2.65 -0.08 0.00 -1.03 0.00 0.00 54.13 51.10 3gxn s LEU 294 Cb -0.27 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 3gxn s LEU 294 CO 0.40 -0.31 0.11 -0.36 0.23 0.00 0.00 176.35 176.42 3gxn s PHE 295 N 0.22 3.14 0.26 0.29 0.40 -1.26 -1.35 117.98 119.68 3gxn s PHE 295 Ca 0.14 -0.60 -0.30 0.00 -0.60 0.00 0.00 56.93 55.58 3gxn s PHE 295 Cb -0.23 -2.30 -0.09 0.00 0.51 0.00 0.00 43.02 40.91 3gxn s PHE 295 CO -0.03 -0.44 1.10 -1.64 0.70 0.00 0.00 175.22 174.90 3gxn s MET 296 N 1.59 4.64 -0.41 0.44 -1.94 -0.86 -0.74 119.30 122.02 3gxn s MET 296 Ca 0.05 1.79 0.03 0.00 -1.71 0.00 0.00 55.69 55.84 3gxn s MET 296 Cb -0.16 -3.21 0.12 0.00 2.01 0.00 0.00 34.83 33.59 3gxn s MET 296 CO 0.05 0.19 0.17 0.45 -0.01 0.00 0.00 175.02 175.87 3gxn s SER 297 N -0.74 4.19 0.34 3.03 0.15 -0.05 -0.58 113.70 120.04 3gxn s SER 297 Ca 0.45 -2.42 -0.10 0.00 0.70 0.00 0.00 55.95 54.58 3gxn s SER 297 Cb -0.31 -1.32 0.04 0.00 -1.71 0.00 0.00 66.02 62.72 3gxn s SER 297 CO 0.40 -0.31 0.63 -0.46 1.20 0.00 0.00 173.24 174.69 3gxn n ASN 298 N 3.86 -1.82 -4.28 5.45 0.23 -1.26 -4.12 115.26 113.31 3gxn n ASN 298 Ca 0.04 -2.51 -0.39 0.00 -0.53 0.00 0.00 54.58 51.20 3gxn n ASN 298 Cb 0.37 3.10 -0.12 0.00 -2.08 0.00 0.00 39.78 41.06 3gxn n ASN 298 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3gxn s ASP 299 N -2.88 5.46 0.36 0.53 -1.08 -1.26 -4.94 116.67 112.85 3gxn s ASP 299 Ca 0.18 -1.25 0.27 0.00 -0.52 0.00 0.00 52.55 51.23 3gxn s ASP 299 Cb -0.03 -1.92 1.07 0.00 -1.46 0.00 0.00 42.92 40.57 3gxn s ASP 299 CO 0.13 -0.40 1.80 -0.07 0.52 0.00 0.00 175.17 177.15 3gxn h LEU 300 N 8.29 0.00 -0.18 -1.34 4.07 -1.99 -2.27 115.31 121.89 3gxn h LEU 300 Ca -0.23 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.51 3gxn h LEU 300 Cb 1.08 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.82 3gxn h LEU 300 CO 0.66 0.00 -0.95 0.03 -1.08 0.00 0.00 178.44 177.09 3gxn h ARG 301 N 0.00 0.25 -3.64 1.13 3.08 -1.96 -3.41 114.38 109.83 3gxn h ARG 301 Ca 0.00 -0.30 -0.57 0.00 0.07 0.00 0.00 59.98 59.18 3gxn h ARG 301 Cb 0.47 0.09 -0.40 0.00 0.08 0.00 0.00 29.97 30.22 3gxn h ARG 301 CO 0.00 1.03 -0.76 -1.01 -1.07 0.00 0.00 179.97 178.16 3gxn s HIS 302 N -3.12 1.67 -0.10 3.04 3.76 -0.85 -5.10 115.29 114.59 3gxn s HIS 302 Ca -0.04 -1.59 -0.04 0.00 -0.15 0.00 0.00 55.06 53.24 3gxn s HIS 302 Cb 0.09 -1.59 0.05 0.00 1.11 0.00 0.00 32.58 32.24 3gxn s HIS 302 CO 0.85 -0.82 0.22 -1.50 -0.85 0.00 0.00 174.74 172.63 3gxn s ILE 303 N 1.63 -0.12 0.58 0.60 2.07 -1.25 -4.67 121.20 120.04 3gxn s ILE 303 Ca 0.06 0.20 -0.20 0.00 -1.41 0.00 0.00 60.65 59.30 3gxn s ILE 303 Cb -0.17 -0.35 -0.05 0.00 0.13 0.00 0.00 42.46 42.02 3gxn s ILE 303 CO -0.20 0.08 1.10 -1.54 -1.91 0.00 0.00 174.94 172.47 3gxn n SER 304 N 4.51 1.41 0.20 4.50 3.41 -1.26 -4.81 113.62 121.59 3gxn n SER 304 Ca -0.21 0.87 0.13 0.00 -0.26 0.00 0.00 58.87 59.40 3gxn n SER 304 Cb 0.52 -1.45 0.26 0.00 -0.26 0.00 0.00 64.21 63.28 3gxn n SER 304 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3gxn h PRO 305 N 0.82 0.00 -0.00 4.33 0.14 -2.00 -2.14 132.00 133.15 3gxn h PRO 305 Ca -0.49 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.65 3gxn h PRO 305 Cb 1.34 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.48 3gxn h PRO 305 CO 0.53 0.00 -0.20 0.00 0.14 0.00 0.00 178.00 178.47 3gxn n GLN 306 N -2.91 0.25 0.06 0.86 0.00 -1.26 -2.17 117.38 112.21 3gxn n GLN 306 Ca 0.04 -0.09 -0.17 0.00 0.00 0.00 0.00 57.00 56.78 3gxn n GLN 306 Cb 0.49 -1.50 -0.08 0.00 0.00 0.00 0.00 30.24 29.15 3gxn n GLN 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gxn h ALA 307 N 3.23 0.24 0.10 2.61 0.00 -1.74 -3.18 119.26 120.53 3gxn h ALA 307 Ca 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 54.91 54.21 3gxn h ALA 307 Cb 0.45 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3gxn h ALA 307 CO 0.00 0.77 -0.28 -0.22 0.00 0.00 0.00 179.25 179.52 3gxn h LYS 308 N 0.29 -0.47 -0.13 0.00 3.64 -1.36 -0.22 116.57 118.32 3gxn h LYS 308 Ca -0.11 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3gxn h LYS 308 Cb 1.66 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.57 3gxn h LYS 308 CO 0.19 -0.31 -0.12 0.00 -2.27 0.00 0.00 179.45 176.93 3gxn h ALA 309 N 0.23 -0.30 -0.60 5.00 0.00 -1.48 -1.34 119.26 120.77 3gxn h ALA 309 Ca 0.03 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3gxn h ALA 309 Cb 0.52 0.90 -0.09 0.00 0.00 0.00 0.00 17.79 19.12 3gxn h ALA 309 CO -0.17 -0.36 -0.54 1.25 0.00 0.00 0.00 179.25 179.43 3gxn h LEU 310 N -0.05 -1.86 -1.60 0.00 6.46 -1.58 -1.06 115.31 115.61 3gxn h LEU 310 Ca 0.02 0.26 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 3gxn h LEU 310 Cb 0.11 0.79 0.00 0.00 -0.73 0.00 0.00 40.66 40.83 3gxn h LEU 310 CO -0.15 -0.31 0.36 -0.07 -0.62 0.00 0.00 178.44 177.64 3gxn h LEU 311 N -0.23 0.00 -2.67 2.25 3.38 0.02 -0.11 115.31 117.95 3gxn h LEU 311 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3gxn h LEU 311 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3gxn h LEU 311 CO -0.69 0.00 0.00 0.00 0.09 0.00 0.00 178.44 177.84 3gxn n GLN 312 N -2.65 2.37 -1.57 1.13 6.02 -0.64 -5.00 117.38 117.04 3gxn n GLN 312 Ca -0.02 -1.41 -0.46 0.00 -0.01 0.00 0.00 57.00 55.11 3gxn n GLN 312 Cb 0.40 -1.03 -0.04 0.00 1.02 0.00 0.00 30.24 30.58 3gxn n GLN 312 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3gxn n ASP 313 N -0.30 3.04 0.31 1.08 -0.08 -0.06 -4.84 116.55 115.70 3gxn n ASP 313 Ca 0.01 0.40 -0.18 0.00 -1.51 0.00 0.00 54.79 53.51 3gxn n ASP 313 Cb 0.23 -1.45 -0.09 0.00 2.34 0.00 0.00 41.12 42.15 3gxn n ASP 313 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3gxn h LYS 314 N 13.36 -0.94 -0.15 -0.67 6.56 -1.90 0.28 116.57 133.11 3gxn h LYS 314 Ca -0.39 0.06 0.05 0.00 -1.06 0.00 0.00 60.65 59.32 3gxn h LYS 314 Cb 1.27 0.21 -0.06 0.00 -0.57 0.00 0.00 32.23 33.08 3gxn h LYS 314 CO 0.97 -0.63 -0.30 -0.44 -2.06 0.00 0.00 179.45 177.00 3gxn h ASP 315 N -0.98 -0.92 -0.35 0.86 3.32 -1.99 0.30 116.42 116.67 3gxn h ASP 315 Ca -0.06 0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.15 3gxn h ASP 315 Cb 0.84 0.40 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 3gxn h ASP 315 CO -0.03 -0.34 0.19 0.58 -1.72 0.00 0.00 179.24 177.92 3gxn h VAL 316 N -0.36 1.01 -0.31 -1.35 2.07 -1.90 -2.61 116.25 112.80 3gxn h VAL 316 Ca 0.10 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.56 3gxn h VAL 316 Cb 0.52 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 3gxn h VAL 316 CO -0.35 0.07 -0.09 0.40 0.02 0.00 0.00 177.57 177.62 3gxn h ILE 317 N 0.38 0.67 -0.90 4.57 2.04 0.63 -0.37 117.51 124.54 3gxn h ILE 317 Ca 0.14 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.23 3gxn h ILE 317 Cb 0.03 0.67 -0.17 0.00 -0.74 0.00 0.00 36.82 36.61 3gxn h ILE 317 CO -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 178.15 178.01 3gxn n ALA 318 N -2.59 0.38 0.00 1.87 0.00 0.97 -0.92 120.51 120.23 3gxn n ALA 318 Ca 0.00 0.97 -0.12 0.00 0.00 0.00 0.00 53.44 54.29 3gxn n ALA 318 Cb 0.18 -0.67 -0.08 0.00 0.00 0.00 0.00 19.45 18.88 3gxn n ALA 318 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3gxn h ILE 319 N 0.00 1.21 -1.01 0.00 2.04 -0.72 0.66 117.51 119.69 3gxn h ILE 319 Ca 0.51 -0.62 0.14 0.00 1.00 0.00 0.00 64.86 65.89 3gxn h ILE 319 Cb 0.98 1.57 -0.09 0.00 -0.74 0.00 0.00 36.82 38.54 3gxn h ILE 319 CO -0.87 0.17 0.63 -1.13 0.00 0.00 0.00 178.15 176.94 3gxn h ASN 320 N -0.20 0.89 -0.44 1.72 -0.73 -0.88 -2.19 115.58 113.75 3gxn h ASN 320 Ca 0.01 0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.24 3gxn h ASN 320 Cb 0.26 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.74 3gxn h ASN 320 CO 0.00 0.43 0.00 0.00 -0.37 0.00 0.00 177.43 177.49 3gxn n GLN 321 N -4.66 2.72 -1.66 6.67 1.13 -0.10 -4.70 117.38 116.78 3gxn n GLN 321 Ca 0.20 -1.89 -0.51 0.00 -1.94 0.00 0.00 57.00 52.86 3gxn n GLN 321 Cb 0.42 -1.64 -0.06 0.00 0.11 0.00 0.00 30.24 29.08 3gxn n GLN 321 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3gxn n ASP 322 N 0.72 2.58 0.32 1.08 2.03 0.11 -4.74 116.55 118.65 3gxn n ASP 322 Ca 0.17 1.06 0.21 0.00 0.52 0.00 0.00 54.79 56.76 3gxn n ASP 322 Cb 0.60 -1.27 1.14 0.00 -0.72 0.00 0.00 41.12 40.87 3gxn n ASP 322 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3gxn h PRO 323 N 6.69 0.00 0.83 -0.67 0.13 -1.92 -2.45 132.00 134.61 3gxn h PRO 323 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 3gxn h PRO 323 Cb 1.30 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.44 3gxn h PRO 323 CO 0.89 0.00 -0.40 1.25 -0.23 0.00 0.00 178.00 179.51 3gxn h LEU 324 N 0.00 -0.95 0.00 1.56 6.46 -1.93 -3.48 115.31 116.97 3gxn h LEU 324 Ca 0.00 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 3gxn h LEU 324 Cb 0.01 0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 3gxn h LEU 324 CO 0.00 -0.67 0.00 0.61 -0.62 0.00 0.00 178.44 177.76 3gxn n GLY 325 N -1.54 0.88 3.70 3.75 0.00 -0.92 -4.69 105.19 106.37 3gxn n GLY 325 Ca -0.15 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3gxn n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gxn s LYS 326 N -0.74 4.47 0.16 1.61 -0.14 -1.26 -3.87 119.74 119.97 3gxn s LYS 326 Ca 0.00 1.54 -0.29 0.00 -1.36 0.00 0.00 55.97 55.87 3gxn s LYS 326 Cb 0.00 -3.46 -0.07 0.00 -1.68 0.00 0.00 37.83 32.62 3gxn s LYS 326 CO 0.00 -0.20 0.90 -1.14 -0.76 0.00 0.00 175.35 174.15 3gxn s GLN 327 N 1.35 4.71 0.63 1.68 0.74 -1.26 -4.65 119.66 122.87 3gxn s GLN 327 Ca 0.54 1.37 -0.11 0.00 0.05 0.00 0.00 55.36 57.21 3gxn s GLN 327 Cb -0.23 -3.32 0.15 0.00 1.10 0.00 0.00 33.01 30.71 3gxn s GLN 327 CO 0.26 0.40 0.82 0.41 -0.55 0.00 0.00 175.29 176.63 3gxn n GLY 328 N 1.87 -1.51 3.77 2.59 0.00 -0.51 -4.83 105.19 106.56 3gxn n GLY 328 Ca -0.01 -1.67 -0.06 0.00 0.00 0.00 0.00 46.02 44.28 3gxn n GLY 328 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gxn s TYR 329 N -2.77 -0.20 -0.34 1.61 -0.85 0.07 -4.77 117.35 110.10 3gxn s TYR 329 Ca 0.47 -0.16 -0.24 0.00 -0.52 0.00 0.00 57.07 56.62 3gxn s TYR 329 Cb -0.02 0.66 0.01 0.00 0.38 0.00 0.00 41.96 42.99 3gxn s TYR 329 CO 0.33 -1.00 0.82 -1.14 -1.52 0.00 0.00 175.55 173.04 3gxn s GLN 330 N -3.60 3.86 -0.14 -3.49 0.74 -1.26 -1.49 119.66 114.28 3gxn s GLN 330 Ca 0.11 0.48 -0.23 0.00 0.05 0.00 0.00 55.36 55.77 3gxn s GLN 330 Cb -0.03 -3.78 -0.20 0.00 1.10 0.00 0.00 33.01 30.10 3gxn s GLN 330 CO 0.03 -0.80 0.55 1.25 -0.55 0.00 0.00 175.29 175.76 3gxn h LEU 331 N 9.70 0.00 -8.96 3.68 5.85 0.13 -3.48 115.31 122.23 3gxn h LEU 331 Ca -0.24 -0.75 -0.39 0.00 0.84 0.00 0.00 57.88 57.35 3gxn h LEU 331 Cb 1.09 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.98 3gxn h LEU 331 CO 0.92 0.97 -0.59 -0.60 -0.34 0.00 0.00 178.44 178.80 3gxn s ARG 332 N -2.13 1.51 -0.25 1.25 3.52 -0.99 -4.96 118.95 116.90 3gxn s ARG 332 Ca -0.17 -1.84 -0.27 0.00 -0.13 0.00 0.00 55.73 53.32 3gxn s ARG 332 Cb -0.01 -0.26 0.13 0.00 -1.56 0.00 0.00 34.95 33.26 3gxn s ARG 332 CO 0.55 -0.35 1.08 -1.14 -0.81 0.00 0.00 175.30 174.63 3gxn s GLN 333 N -3.94 0.47 0.00 5.12 2.00 -1.26 -1.66 119.66 120.39 3gxn s GLN 333 Ca 0.36 0.38 0.00 0.00 -2.00 0.00 0.00 55.36 54.10 3gxn s GLN 333 Cb 0.07 0.22 0.00 0.00 0.80 0.00 0.00 33.01 34.10 3gxn s GLN 333 CO 0.15 -0.09 0.00 0.41 -0.50 0.00 0.00 175.29 175.26 3gxn n GLY 334 N 1.62 2.22 4.11 2.59 0.00 -0.53 -4.93 105.19 110.27 3gxn n GLY 334 Ca -0.11 -2.09 -0.32 0.00 0.00 0.00 0.00 46.02 43.50 3gxn n GLY 334 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gxn n ASP 335 N 0.00 -2.20 -3.04 1.61 2.03 -1.26 -0.32 116.55 113.37 3gxn n ASP 335 Ca 0.00 -1.00 -0.19 0.00 0.52 0.00 0.00 54.79 54.12 3gxn n ASP 335 Cb 0.00 -2.91 -0.00 0.00 -0.72 0.00 0.00 41.12 37.49 3gxn n ASP 335 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3gxn n ASN 336 N -2.80 -3.84 -4.43 1.67 3.02 -1.26 -4.94 115.26 102.69 3gxn n ASN 336 Ca -0.08 -0.18 -0.24 0.00 -0.03 0.00 0.00 54.58 54.05 3gxn n ASN 336 Cb 0.57 -3.20 -0.11 0.00 -0.61 0.00 0.00 39.78 36.44 3gxn n ASN 336 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3gxn s PHE 337 N -2.82 2.18 -0.03 3.10 0.40 0.56 -0.83 117.98 120.53 3gxn s PHE 337 Ca 0.26 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 56.23 3gxn s PHE 337 Cb -0.14 -1.00 0.01 0.00 0.51 0.00 0.00 43.02 42.40 3gxn s PHE 337 CO 0.32 0.58 -0.08 -1.21 0.70 0.00 0.00 175.22 175.54 3gxn s GLU 338 N -3.22 0.95 -0.21 0.44 2.02 -0.53 -1.45 118.70 116.70 3gxn s GLU 338 Ca 0.25 -0.24 -0.06 0.00 0.02 0.00 0.00 54.97 54.94 3gxn s GLU 338 Cb -0.05 -0.89 -0.03 0.00 0.10 0.00 0.00 34.13 33.26 3gxn s GLU 338 CO 0.12 0.04 0.02 0.08 0.02 0.00 0.00 175.26 175.54 3gxn s VAL 339 N 0.46 4.10 0.18 2.63 1.01 -0.66 -1.29 120.40 126.83 3gxn s VAL 339 Ca -0.07 -0.26 0.11 0.00 0.00 0.00 0.00 61.98 61.76 3gxn s VAL 339 Cb -0.11 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 3gxn s VAL 339 CO 0.01 0.41 -0.20 0.26 0.00 0.00 0.00 175.10 175.57 3gxn s TRP 340 N 1.12 2.40 0.14 5.22 0.52 0.57 0.17 118.94 129.07 3gxn s TRP 340 Ca 0.03 -0.32 -0.13 0.00 0.02 0.00 0.00 56.10 55.70 3gxn s TRP 340 Cb -0.14 -1.20 0.01 0.00 -1.15 0.00 0.00 33.47 30.99 3gxn s TRP 340 CO 0.02 0.48 0.34 -1.83 0.02 0.00 0.00 176.95 175.99 3gxn s GLU 341 N -2.62 1.09 -0.06 4.98 -1.05 -0.55 -1.09 118.70 119.39 3gxn s GLU 341 Ca 0.21 -0.91 -0.03 0.00 -0.15 0.00 0.00 54.97 54.09 3gxn s GLU 341 Cb -0.08 0.43 0.03 0.00 -0.44 0.00 0.00 34.13 34.06 3gxn s GLU 341 CO 0.11 -0.41 0.14 0.50 0.95 0.00 0.00 175.26 176.55 3gxn s ARG 342 N -3.87 0.12 0.11 -4.83 3.52 0.39 -0.75 118.95 113.64 3gxn s ARG 342 Ca 0.08 0.31 -0.30 0.00 -0.13 0.00 0.00 55.73 55.69 3gxn s ARG 342 Cb 0.02 -0.09 -0.06 0.00 -1.56 0.00 0.00 34.95 33.26 3gxn s ARG 342 CO -0.07 -0.12 1.15 -1.25 -0.81 0.00 0.00 175.30 174.20 3gxn s PRO 343 N 0.81 4.50 0.16 5.12 0.04 -1.26 -0.90 135.00 143.47 3gxn s PRO 343 Ca -0.06 1.75 0.01 0.00 0.04 0.00 0.00 61.00 62.73 3gxn s PRO 343 Cb -0.08 -3.32 0.01 0.00 0.04 0.00 0.00 34.50 31.15 3gxn s PRO 343 CO -0.04 -0.11 0.06 1.28 0.04 0.00 0.00 177.00 178.23 3gxn n LEU 344 N 3.22 0.00 -4.83 -3.56 4.77 0.11 -4.55 117.00 112.16 3gxn n LEU 344 Ca 0.06 -0.90 -0.34 0.00 -0.03 0.00 0.00 56.01 54.80 3gxn n LEU 344 Cb 0.46 0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 3gxn n LEU 344 CO 0.55 -0.24 0.40 -0.44 -1.33 0.00 0.00 177.39 176.33 3gxn s SER 345 N -1.89 6.91 -0.06 -1.43 0.01 -1.26 -4.15 113.70 111.84 3gxn s SER 345 Ca 0.05 1.33 -0.00 0.00 1.31 0.00 0.00 55.95 58.63 3gxn s SER 345 Cb -0.00 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.84 3gxn s SER 345 CO 0.03 -0.07 0.03 0.61 0.41 0.00 0.00 173.24 174.25 3gxn n GLY 346 N 0.23 0.74 2.95 3.44 0.00 -1.26 -3.28 105.19 108.02 3gxn n GLY 346 Ca 0.00 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 3gxn n GLY 346 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gxn n LEU 347 N -0.52 -2.12 -4.98 0.99 4.77 -1.26 -4.81 117.00 109.07 3gxn n LEU 347 Ca -0.00 -0.22 -0.20 0.00 -0.03 0.00 0.00 56.01 55.56 3gxn n LEU 347 Cb 0.50 -2.66 -0.01 0.00 -2.33 0.00 0.00 43.42 38.92 3gxn n LEU 347 CO 0.02 0.11 0.02 0.00 -1.33 0.00 0.00 177.39 176.21 3gxn s ALA 348 N -3.03 4.11 -0.02 -1.18 0.00 -1.20 -4.39 121.76 116.04 3gxn s ALA 348 Ca 0.25 -1.36 -0.09 0.00 0.00 0.00 0.00 51.96 50.76 3gxn s ALA 348 Cb -0.12 -1.71 0.01 0.00 0.00 0.00 0.00 23.12 21.30 3gxn s ALA 348 CO 0.31 0.07 0.20 -1.58 0.00 0.00 0.00 175.76 174.76 3gxn s TRP 349 N -2.10 -0.06 -0.14 0.00 0.52 -1.16 0.08 118.94 116.07 3gxn s TRP 349 Ca 0.41 0.08 -0.06 0.00 0.02 0.00 0.00 56.10 56.55 3gxn s TRP 349 Cb -0.09 0.01 -0.04 0.00 -1.15 0.00 0.00 33.47 32.20 3gxn s TRP 349 CO 0.30 -0.29 0.07 0.00 0.02 0.00 0.00 176.95 177.06 3gxn s ALA 350 N -1.13 3.54 -0.03 0.98 0.00 -0.07 -1.11 121.76 123.94 3gxn s ALA 350 Ca -0.12 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 51.18 3gxn s ALA 350 Cb -0.06 -1.84 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 3gxn s ALA 350 CO 0.02 0.42 -0.23 0.08 0.00 0.00 0.00 175.76 176.05 3gxn s VAL 351 N -0.39 1.83 -0.11 0.00 1.01 0.29 -0.46 120.40 122.57 3gxn s VAL 351 Ca 0.10 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.11 3gxn s VAL 351 Cb -0.12 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.76 3gxn s VAL 351 CO 0.02 0.52 -0.12 0.00 0.00 0.00 0.00 175.10 175.51 3gxn s ALA 352 N -0.45 1.55 -0.24 5.51 0.00 -0.25 0.56 121.76 128.43 3gxn s ALA 352 Ca 0.06 -0.66 -0.06 0.00 0.00 0.00 0.00 51.96 51.30 3gxn s ALA 352 Cb -0.10 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 3gxn s ALA 352 CO -0.00 -0.21 0.03 -1.64 0.00 0.00 0.00 175.76 173.94 3gxn s MET 353 N 1.25 3.53 -0.19 0.00 -1.94 0.81 -0.32 119.30 122.45 3gxn s MET 353 Ca -0.02 -0.54 -0.08 0.00 -1.71 0.00 0.00 55.69 53.34 3gxn s MET 353 Cb -0.14 -3.21 -0.04 0.00 2.01 0.00 0.00 34.83 33.45 3gxn s MET 353 CO -0.05 -0.20 0.07 0.42 -0.01 0.00 0.00 175.02 175.26 3gxn s ILE 354 N 1.56 4.85 -0.49 2.53 1.01 -0.41 -0.18 121.20 130.07 3gxn s ILE 354 Ca 0.06 -0.01 -0.20 0.00 0.00 0.00 0.00 60.65 60.51 3gxn s ILE 354 Cb -0.15 -3.20 0.05 0.00 0.01 0.00 0.00 42.46 39.17 3gxn s ILE 354 CO 0.01 0.45 0.63 0.21 0.00 0.00 0.00 174.94 176.24 3gxn s ASN 355 N 0.45 6.24 0.00 3.58 2.47 -0.67 -1.46 114.94 125.55 3gxn s ASN 355 Ca 0.04 -0.78 0.28 0.00 0.42 0.00 0.00 52.86 52.82 3gxn s ASN 355 Cb -0.12 -2.30 1.20 0.00 -1.45 0.00 0.00 41.25 38.58 3gxn s ASN 355 CO 0.00 -0.88 1.82 0.54 -3.72 0.00 0.00 177.10 174.87 3gxn n ARG 356 N 6.22 1.52 -2.70 0.43 5.12 -0.01 -0.50 116.66 126.75 3gxn n ARG 356 Ca -0.05 -0.76 -0.43 0.00 -1.93 0.00 0.00 57.85 54.68 3gxn n ARG 356 Cb 0.46 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 30.26 3gxn n ARG 356 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3gxn s GLN 357 N -1.98 3.85 -0.14 5.56 0.74 -1.24 -4.77 119.66 121.68 3gxn s GLN 357 Ca 0.39 0.69 0.01 0.00 0.05 0.00 0.00 55.36 56.50 3gxn s GLN 357 Cb 0.21 -3.82 0.16 0.00 1.10 0.00 0.00 33.01 30.66 3gxn s GLN 357 CO 0.33 -1.08 1.44 0.39 -0.55 0.00 0.00 175.29 175.83 3gxn n GLU 358 N 7.13 1.36 -4.13 1.67 1.02 -1.26 -4.19 120.64 122.24 3gxn n GLU 358 Ca 0.10 -0.82 -0.12 0.00 -0.02 0.00 0.00 57.16 56.29 3gxn n GLU 358 Cb 0.48 -1.32 -0.08 0.00 -0.02 0.00 0.00 31.44 30.50 3gxn n GLU 358 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3gxn s ILE 359 N -0.99 0.00 0.00 -3.67 2.07 -1.26 -5.07 121.20 112.28 3gxn s ILE 359 Ca 0.16 -1.76 0.00 0.00 -1.41 0.00 0.00 60.65 57.64 3gxn s ILE 359 Cb 0.13 -2.43 0.00 0.00 0.13 0.00 0.00 42.46 40.29 3gxn s ILE 359 CO 0.02 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 3gxn n GLY 360 N -0.38 0.52 0.00 1.50 0.00 -1.26 -4.90 105.19 100.66 3gxn n GLY 360 Ca 0.01 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.23 3gxn n GLY 360 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxn n GLY 361 N 0.00 6.10 3.75 -0.02 0.00 -1.26 -4.93 105.19 108.83 3gxn n GLY 361 Ca 0.00 -2.07 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 3gxn n GLY 361 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gxn s PRO 362 N 0.62 4.55 0.01 1.61 0.04 -1.26 -4.47 135.00 136.10 3gxn s PRO 362 Ca 0.00 1.87 -0.02 0.00 0.04 0.00 0.00 61.00 62.89 3gxn s PRO 362 Cb 0.00 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 3gxn s PRO 362 CO 0.00 0.03 0.19 1.03 0.04 0.00 0.00 177.00 178.30 3gxn s ARG 363 N -0.88 3.44 0.07 4.56 0.52 0.33 -4.86 118.95 122.12 3gxn s ARG 363 Ca 0.49 -0.35 -0.19 0.00 -0.52 0.00 0.00 55.73 55.16 3gxn s ARG 363 Cb -0.33 -3.08 -0.07 0.00 0.52 0.00 0.00 34.95 32.00 3gxn s ARG 363 CO 0.40 0.65 0.56 -1.54 0.02 0.00 0.00 175.30 175.39 3gxn s SER 364 N -2.11 7.03 0.05 0.23 1.04 -1.26 0.02 113.70 118.70 3gxn s SER 364 Ca 0.30 1.23 0.06 0.00 0.48 0.00 0.00 55.95 58.02 3gxn s SER 364 Cb -0.13 -2.35 -0.02 0.00 0.10 0.00 0.00 66.02 63.62 3gxn s SER 364 CO 0.21 0.27 -0.17 -0.47 0.98 0.00 0.00 173.24 174.06 3gxn s TYR 365 N -1.13 1.52 -0.03 5.02 5.04 0.19 -4.94 117.35 123.01 3gxn s TYR 365 Ca 0.29 -0.38 0.01 0.00 -2.44 0.00 0.00 57.07 54.55 3gxn s TYR 365 Cb -0.19 -0.89 0.02 0.00 0.35 0.00 0.00 41.96 41.25 3gxn s TYR 365 CO 0.19 0.08 -0.02 0.95 -1.34 0.00 0.00 175.55 175.40 3gxn s THR 366 N -0.90 0.31 0.01 4.34 -4.23 -1.26 -0.57 115.64 113.35 3gxn s THR 366 Ca 0.04 -0.03 0.08 0.00 -1.18 0.00 0.00 61.69 60.60 3gxn s THR 366 Cb -0.09 -0.36 -0.02 0.00 1.34 0.00 0.00 72.50 73.37 3gxn s THR 366 CO 0.02 0.16 -0.24 0.27 -0.54 0.00 0.00 174.62 174.29 3gxn s ILE 367 N 0.78 1.93 -0.07 2.99 -5.25 -0.77 -4.97 121.20 115.84 3gxn s ILE 367 Ca -0.09 -1.15 -0.29 0.00 -0.99 0.00 0.00 60.65 58.13 3gxn s ILE 367 Cb -0.12 -1.63 -0.07 0.00 2.95 0.00 0.00 42.46 43.60 3gxn s ILE 367 CO -0.01 0.45 2.01 0.00 -1.79 0.00 0.00 174.94 175.60 3gxn s ALA 368 N -0.66 3.28 0.58 2.27 0.00 -1.26 -0.63 121.76 125.34 3gxn s ALA 368 Ca 0.10 1.06 0.31 0.00 0.00 0.00 0.00 51.96 53.42 3gxn s ALA 368 Cb -0.09 -3.92 1.37 0.00 0.00 0.00 0.00 23.12 20.47 3gxn s ALA 368 CO 0.00 -2.00 1.72 -0.24 0.00 0.00 0.00 175.76 175.25 3gxn h VAL 369 N 6.17 0.27 -0.43 0.00 3.04 -1.46 0.30 116.25 124.13 3gxn h VAL 369 Ca -0.45 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.18 3gxn h VAL 369 Cb 1.23 0.41 -0.02 0.00 -2.01 0.00 0.00 31.29 30.90 3gxn h VAL 369 CO 0.95 0.00 0.03 0.00 -1.01 0.00 0.00 177.57 177.54 3gxn h ALA 370 N 1.21 0.58 0.00 3.17 0.00 -1.75 -2.94 119.26 119.53 3gxn h ALA 370 Ca 0.37 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3gxn h ALA 370 Cb 1.91 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3gxn h ALA 370 CO -0.00 0.34 0.00 -1.13 0.00 0.00 0.00 179.25 178.46 3gxn n SER 371 N -4.43 0.00 0.00 0.00 3.41 0.10 -3.31 113.62 109.39 3gxn n SER 371 Ca -0.00 -1.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.02 3gxn n SER 371 Cb 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 3gxn n SER 371 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gxn n LEU 372 N -0.50 0.00 -2.89 1.04 4.32 -1.11 -4.57 117.00 113.29 3gxn n LEU 372 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.80 3gxn n LEU 372 Cb 0.00 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.76 3gxn n LEU 372 CO 0.00 0.00 2.10 0.61 -1.22 0.00 0.00 177.39 178.88 3gxn n GLY 373 N 4.05 2.95 2.75 -0.72 0.00 -1.26 -3.97 105.19 108.99 3gxn n GLY 373 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3gxn n GLY 373 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gxn n LYS 374 N 3.70 -1.06 0.00 1.61 4.81 -1.26 -2.28 118.16 123.67 3gxn n LYS 374 Ca 0.42 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 3gxn n LYS 374 Cb 0.27 -4.16 0.00 0.00 0.02 0.00 0.00 35.03 31.16 3gxn n LYS 374 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gxn n GLY 375 N -0.75 2.08 0.21 3.14 0.00 -1.21 -4.92 105.19 103.74 3gxn n GLY 375 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3gxn n GLY 375 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gxn h VAL 376 N 0.00 0.21 -2.55 1.61 2.07 -1.75 -3.40 116.25 112.44 3gxn h VAL 376 Ca 0.00 -0.75 -0.55 0.00 0.82 0.00 0.00 66.70 66.23 3gxn h VAL 376 Cb 0.00 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3gxn h VAL 376 CO 0.00 0.05 1.14 0.00 0.02 0.00 0.00 177.57 178.78 3gxn s ALA 377 N -3.80 3.55 0.00 1.67 0.00 -1.21 -0.94 121.76 121.02 3gxn s ALA 377 Ca -0.09 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.85 3gxn s ALA 377 Cb 0.01 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.34 3gxn s ALA 377 CO 0.28 -1.53 0.00 0.00 0.00 0.00 0.00 175.76 174.52 3gxn s ASN 379 N -2.62 4.81 0.21 0.00 2.47 -0.12 -3.10 114.94 116.60 3gxn s ASN 379 Ca 0.00 -1.37 0.15 0.00 0.42 0.00 0.00 52.86 52.06 3gxn s ASN 379 Cb 0.00 -1.68 -0.01 0.00 -1.45 0.00 0.00 41.25 38.11 3gxn s ASN 379 CO 0.00 -0.26 1.27 1.55 -3.72 0.00 0.00 177.10 175.93 3gxn h PRO 380 N 7.94 0.00 -5.15 0.43 0.13 -1.97 -3.47 132.00 129.91 3gxn h PRO 380 Ca -0.20 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.57 3gxn h PRO 380 Cb 1.05 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.04 3gxn h PRO 380 CO 0.53 0.47 -0.69 0.00 -0.23 0.00 0.00 178.00 178.07 3gxn s ALA 381 N -2.94 1.69 -0.02 -0.56 0.00 -1.23 0.18 121.76 118.89 3gxn s ALA 381 Ca 0.02 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.34 3gxn s ALA 381 Cb 0.08 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.44 3gxn s ALA 381 CO 0.77 -0.14 0.02 0.00 0.00 0.00 0.00 175.76 176.41 3gxn s PHE 383 N 0.82 3.44 -0.26 0.00 5.36 0.16 0.22 117.98 127.72 3gxn s PHE 383 Ca -0.07 -2.24 -0.09 0.00 -0.96 0.00 0.00 56.93 53.57 3gxn s PHE 383 Cb -0.10 -2.58 -0.04 0.00 -0.34 0.00 0.00 43.02 39.97 3gxn s PHE 383 CO -0.02 -0.88 0.11 0.42 -1.46 0.00 0.00 175.22 173.39 3gxn s ILE 384 N 1.16 4.69 -0.18 3.12 1.01 -1.18 -1.27 121.20 128.54 3gxn s ILE 384 Ca 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.59 3gxn s ILE 384 Cb -0.21 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 3gxn s ILE 384 CO -0.03 0.31 -0.05 0.42 0.00 0.00 0.00 174.94 175.59 3gxn s THR 385 N 1.66 3.63 0.15 2.92 -4.23 -0.66 -0.83 115.64 118.28 3gxn s THR 385 Ca 0.07 -0.43 -0.31 0.00 -1.18 0.00 0.00 61.69 59.83 3gxn s THR 385 Cb -0.15 -2.61 -0.09 0.00 1.34 0.00 0.00 72.50 70.99 3gxn s THR 385 CO 0.06 0.46 1.47 -1.58 -0.54 0.00 0.00 174.62 174.49 3gxn s GLN 386 N 0.80 4.27 -0.11 3.99 0.74 0.82 -1.47 119.66 128.70 3gxn s GLN 386 Ca -0.02 2.21 0.19 0.00 0.05 0.00 0.00 55.36 57.79 3gxn s GLN 386 Cb -0.15 -3.20 -0.28 0.00 1.10 0.00 0.00 33.01 30.49 3gxn s GLN 386 CO 0.02 -0.50 0.25 -0.11 -0.55 0.00 0.00 175.29 174.40 3gxn n LEU 387 N 3.81 0.00 -3.64 3.68 7.94 0.67 -1.88 117.00 127.59 3gxn n LEU 387 Ca 0.12 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.95 3gxn n LEU 387 Cb 0.41 0.24 -0.07 0.00 0.53 0.00 0.00 43.42 44.53 3gxn n LEU 387 CO 0.60 0.24 0.53 -0.76 -1.11 0.00 0.00 177.39 176.89 3gxn s LEU 388 N -4.92 -0.69 0.00 -1.96 1.02 -1.11 -3.18 118.68 107.84 3gxn s LEU 388 Ca -0.08 1.17 0.11 0.00 0.02 0.00 0.00 54.13 55.34 3gxn s LEU 388 Cb 0.09 2.10 0.48 0.00 0.02 0.00 0.00 46.19 48.89 3gxn s LEU 388 CO 0.82 -0.19 1.33 -0.81 0.02 0.00 0.00 176.35 177.52 3gxn n PRO 389 N 3.54 1.29 0.00 1.29 -0.04 -1.26 -0.55 135.00 139.28 3gxn n PRO 389 Ca -0.17 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 62.83 3gxn n PRO 389 Cb 0.57 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 3gxn n PRO 389 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3gxn n VAL 390 N -0.22 0.00 -1.22 0.52 0.24 -1.26 -5.07 118.33 111.31 3gxn n VAL 390 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 3gxn n VAL 390 Cb 0.13 -0.66 0.00 0.00 -1.47 0.00 0.00 33.84 31.84 3gxn n VAL 390 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3gxn n LYS 391 N -2.41 0.00 -4.26 7.34 4.81 -0.79 -4.91 118.16 117.93 3gxn n LYS 391 Ca 0.00 0.07 -0.35 0.00 -0.87 0.00 0.00 58.31 57.16 3gxn n LYS 391 Cb 0.28 -1.22 -0.09 0.00 0.02 0.00 0.00 35.03 34.02 3gxn n LYS 391 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3gxn s ARG 392 N -2.82 3.24 -0.01 1.64 3.52 -0.95 -4.97 118.95 118.61 3gxn s ARG 392 Ca 0.00 -0.37 -0.30 0.00 -0.13 0.00 0.00 55.73 54.93 3gxn s ARG 392 Cb 0.00 -2.91 -0.06 0.00 -1.56 0.00 0.00 34.95 30.42 3gxn s ARG 392 CO 0.00 0.61 1.52 0.15 -0.81 0.00 0.00 175.30 176.77 3gxn s LYS 393 N -0.62 4.23 0.71 5.12 1.02 -1.26 -0.13 119.74 128.81 3gxn s LYS 393 Ca 0.10 2.09 -0.04 0.00 0.02 0.00 0.00 55.97 58.14 3gxn s LYS 393 Cb -0.12 -3.70 0.09 0.00 -0.52 0.00 0.00 37.83 33.58 3gxn s LYS 393 CO 0.02 -0.69 1.00 -0.51 -0.92 0.00 0.00 175.35 174.24 3gxn s LEU 394 N 2.98 2.94 0.00 3.17 1.43 -0.01 -4.90 118.68 124.30 3gxn s LEU 394 Ca 0.68 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 3gxn s LEU 394 Cb -0.33 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.24 3gxn s LEU 394 CO 0.28 -1.71 0.00 0.61 0.23 0.00 0.00 176.35 175.75 3gxn n GLY 395 N -2.88 -0.73 3.86 -3.19 0.00 -1.26 -4.46 105.19 96.53 3gxn n GLY 395 Ca 0.11 -1.25 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 3gxn n GLY 395 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxn s PHE 396 N 0.00 3.57 -0.10 1.61 0.08 -1.26 -3.12 117.98 118.76 3gxn s PHE 396 Ca 0.00 0.88 0.04 0.00 0.12 0.00 0.00 56.93 57.97 3gxn s PHE 396 Cb 0.00 -2.23 -0.00 0.00 -0.57 0.00 0.00 43.02 40.22 3gxn s PHE 396 CO 0.00 0.46 -0.24 0.71 -0.10 0.00 0.00 175.22 176.05 3gxn s TYR 397 N -1.47 2.56 0.59 0.36 1.51 0.13 -4.94 117.35 116.08 3gxn s TYR 397 Ca 0.36 -1.01 -0.18 0.00 -1.01 0.00 0.00 57.07 55.23 3gxn s TYR 397 Cb -0.14 -1.70 -0.04 0.00 -0.11 0.00 0.00 41.96 39.97 3gxn s TYR 397 CO 0.19 -0.40 1.14 -2.00 -1.11 0.00 0.00 175.55 173.37 3gxn s GLU 398 N 0.30 3.11 0.23 -0.62 2.56 -1.26 -1.13 118.70 121.89 3gxn s GLU 398 Ca -0.18 1.59 -0.09 0.00 0.00 0.00 0.00 54.97 56.30 3gxn s GLU 398 Cb -0.18 -1.97 0.38 0.00 2.00 0.00 0.00 34.13 34.36 3gxn s GLU 398 CO 0.08 -1.04 1.64 2.35 -0.56 0.00 0.00 175.26 177.74 3gxn h TRP 399 N 0.80 -0.07 0.00 5.30 7.01 -0.20 0.20 115.95 129.00 3gxn h TRP 399 Ca -0.49 0.05 0.00 0.00 2.11 0.00 0.00 58.89 60.56 3gxn h TRP 399 Cb 1.26 0.14 0.00 0.00 -2.10 0.00 0.00 29.16 28.47 3gxn h TRP 399 CO 0.51 -0.22 0.00 1.79 -2.79 0.00 0.00 178.44 177.73 3gxn h THR 400 N 0.10 0.00 -4.17 2.65 1.35 -1.86 -3.27 112.91 107.71 3gxn h THR 400 Ca 0.38 -0.12 -0.51 0.00 -0.55 0.00 0.00 66.41 65.60 3gxn h THR 400 Cb 0.65 1.08 0.11 0.00 -1.73 0.00 0.00 68.15 68.26 3gxn h THR 400 CO -0.62 0.00 0.39 -0.44 -0.25 0.00 0.00 175.52 174.60 3gxn s SER 401 N -5.18 5.00 -0.02 5.36 0.01 0.69 -4.84 113.70 114.72 3gxn s SER 401 Ca -0.03 2.13 -0.01 0.00 1.31 0.00 0.00 55.95 59.35 3gxn s SER 401 Cb 0.12 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 3gxn s SER 401 CO 0.43 -1.71 0.09 -0.13 0.41 0.00 0.00 173.24 172.33 3gxn s ARG 402 N -3.88 3.13 -0.35 12.44 0.52 -1.26 -1.33 118.95 128.22 3gxn s ARG 402 Ca 0.70 -0.43 -0.13 0.00 -0.52 0.00 0.00 55.73 55.35 3gxn s ARG 402 Cb -0.24 -2.90 -0.01 0.00 0.52 0.00 0.00 34.95 32.32 3gxn s ARG 402 CO 0.40 0.67 0.25 -1.17 0.02 0.00 0.00 175.30 175.46 3gxn s LEU 403 N -1.63 4.58 -0.04 2.53 2.96 0.20 -4.84 118.68 122.43 3gxn s LEU 403 Ca 0.22 -0.47 -0.13 0.00 -0.22 0.00 0.00 54.13 53.53 3gxn s LEU 403 Cb -0.12 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 3gxn s LEU 403 CO 0.13 -0.26 0.35 -0.60 -1.32 0.00 0.00 176.35 174.65 3gxn s ARG 404 N 1.73 3.89 0.06 1.98 3.52 -1.26 -1.85 118.95 127.01 3gxn s ARG 404 Ca 0.06 0.28 -0.14 0.00 -0.13 0.00 0.00 55.73 55.80 3gxn s ARG 404 Cb -0.18 -3.25 0.02 0.00 -1.56 0.00 0.00 34.95 29.99 3gxn s ARG 404 CO 0.11 0.64 0.33 0.45 -0.81 0.00 0.00 175.30 176.01 3gxn s SER 405 N -0.83 -0.15 -0.26 -2.12 0.15 0.26 -5.01 113.70 105.75 3gxn s SER 405 Ca 0.22 -0.22 -0.02 0.00 0.70 0.00 0.00 55.95 56.63 3gxn s SER 405 Cb -0.15 0.39 0.03 0.00 -1.71 0.00 0.00 66.02 64.57 3gxn s SER 405 CO 0.11 -0.67 -0.04 -1.00 1.20 0.00 0.00 173.24 172.84 3gxn s HIS 406 N -2.86 3.12 -0.02 3.44 3.76 -1.26 0.52 115.29 121.99 3gxn s HIS 406 Ca -0.03 -1.58 -0.01 0.00 -0.15 0.00 0.00 55.06 53.29 3gxn s HIS 406 Cb 0.00 -2.08 -0.04 0.00 1.11 0.00 0.00 32.58 31.57 3gxn s HIS 406 CO -0.05 -0.73 0.09 0.42 -0.85 0.00 0.00 174.74 173.61 3gxn s ILE 407 N 1.32 4.83 0.27 0.60 1.09 0.10 -4.85 121.20 124.57 3gxn s ILE 407 Ca -0.01 -0.32 -0.26 0.00 -1.10 0.00 0.00 60.65 58.96 3gxn s ILE 407 Cb -0.17 -3.19 -0.09 0.00 -1.06 0.00 0.00 42.46 37.94 3gxn s ILE 407 CO -0.03 0.39 0.89 0.20 -0.10 0.00 0.00 174.94 176.29 3gxn s ASN 408 N -1.63 7.36 0.16 3.58 0.01 -1.26 -0.52 114.94 122.64 3gxn s ASN 408 Ca 0.22 1.77 -0.34 0.00 -0.71 0.00 0.00 52.86 53.81 3gxn s ASN 408 Cb -0.12 -2.55 -0.14 0.00 0.41 0.00 0.00 41.25 38.85 3gxn s ASN 408 CO 0.13 0.02 1.60 -2.65 -1.51 0.00 0.00 177.10 174.69 3gxn n PRO 409 N 0.88 2.20 -0.24 -0.60 -0.02 -1.26 -0.13 135.00 135.82 3gxn n PRO 409 Ca -0.00 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3gxn n PRO 409 Cb 0.49 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3gxn n PRO 409 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3gxn n THR 410 N 3.51 0.00 -1.56 3.45 -2.24 0.35 -4.88 114.28 112.91 3gxn n THR 410 Ca 0.17 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.73 3gxn n THR 410 Cb 0.29 -0.19 0.16 0.00 -2.10 0.00 0.00 70.33 68.49 3gxn n THR 410 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gxn n GLY 411 N -2.00 -1.64 2.96 3.38 0.00 0.81 -3.89 105.19 104.82 3gxn n GLY 411 Ca 0.00 -1.66 -0.11 0.00 0.00 0.00 0.00 46.02 44.24 3gxn n GLY 411 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gxn s THR 412 N -3.07 0.04 -0.23 2.61 2.01 -1.26 -1.68 115.64 114.07 3gxn s THR 412 Ca 0.56 -0.30 -0.09 0.00 0.31 0.00 0.00 61.69 62.17 3gxn s THR 412 Cb -0.02 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 72.28 3gxn s THR 412 CO 0.40 -0.16 0.13 -0.69 -0.69 0.00 0.00 174.62 173.60 3gxn s VAL 413 N -0.49 5.11 -0.21 3.82 1.01 0.74 -4.12 120.40 126.26 3gxn s VAL 413 Ca -0.06 0.09 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 3gxn s VAL 413 Cb -0.04 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 3gxn s VAL 413 CO -0.00 0.37 0.02 -0.22 0.00 0.00 0.00 175.10 175.27 3gxn s LEU 414 N 0.95 3.32 0.07 3.92 2.96 0.29 -0.13 118.68 130.05 3gxn s LEU 414 Ca 0.06 -0.19 0.09 0.00 -0.22 0.00 0.00 54.13 53.87 3gxn s LEU 414 Cb -0.13 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 3gxn s LEU 414 CO 0.03 0.05 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.13 3gxn s LEU 415 N 1.10 2.44 -0.07 -0.68 1.43 0.19 -0.24 118.68 122.86 3gxn s LEU 415 Ca 0.03 -0.56 0.04 0.00 -1.03 0.00 0.00 54.13 52.61 3gxn s LEU 415 Cb -0.14 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 3gxn s LEU 415 CO 0.02 0.23 -0.19 -1.58 0.23 0.00 0.00 176.35 175.06 3gxn s GLN 416 N -1.62 2.66 -0.10 1.70 0.74 -0.54 -0.55 119.66 121.94 3gxn s GLN 416 Ca 0.14 -0.79 0.02 0.00 0.05 0.00 0.00 55.36 54.77 3gxn s GLN 416 Cb -0.10 -2.32 -0.01 0.00 1.10 0.00 0.00 33.01 31.68 3gxn s GLN 416 CO 0.05 0.45 -0.16 -0.51 -0.55 0.00 0.00 175.29 174.57 3gxn s LEU 417 N -0.30 2.58 0.19 3.68 1.02 -0.27 -1.65 118.68 123.95 3gxn s LEU 417 Ca 0.01 -0.35 0.11 0.00 0.02 0.00 0.00 54.13 53.93 3gxn s LEU 417 Cb -0.13 -1.55 -0.04 0.00 0.02 0.00 0.00 46.19 44.49 3gxn s LEU 417 CO 0.03 0.21 -0.23 -1.61 0.02 0.00 0.00 176.35 174.76 3gxn s GLU 418 N 0.08 1.50 0.06 1.70 0.41 -0.40 -2.98 118.70 119.07 3gxn s GLU 418 Ca -0.07 -1.53 -0.12 0.00 -0.41 0.00 0.00 54.97 52.84 3gxn s GLU 418 Cb -0.15 -1.79 -0.06 0.00 -1.78 0.00 0.00 34.13 30.35 3gxn s GLU 418 CO 0.05 0.38 0.43 1.21 -0.49 0.00 0.00 175.26 176.84 3gxn s ASN 419 N -2.71 6.74 0.24 -0.19 3.84 -1.26 0.37 114.94 121.97 3gxn s ASN 419 Ca 0.21 0.91 -0.06 0.00 0.21 0.00 0.00 52.86 54.13 3gxn s ASN 419 Cb -0.08 -2.22 0.30 0.00 -0.55 0.00 0.00 41.25 38.70 3gxn s ASN 419 CO 0.10 0.22 1.87 0.74 -2.79 0.00 0.00 177.10 177.24 3gxn h THR 420 N 3.18 1.11 0.00 -5.21 2.02 -1.93 -3.47 112.91 108.60 3gxn h THR 420 Ca -0.50 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.31 3gxn h THR 420 Cb 1.20 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3gxn h THR 420 CO 0.64 0.20 0.00 1.15 0.37 0.00 0.00 175.52 177.88