#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxf s ARG 2 N 0.00 1.24 0.77 0.00 0.52 -1.23 -4.97 118.95 115.29 3gxf s ARG 2 Ca 0.00 -0.23 -0.11 0.00 -0.52 0.00 0.00 55.73 54.87 3gxf s ARG 2 Cb 0.00 -1.17 0.05 0.00 0.52 0.00 0.00 34.95 34.35 3gxf s ARG 2 CO 0.00 -0.08 1.10 -1.25 0.02 0.00 0.00 175.30 175.08 3gxf s PRO 3 N 1.01 2.33 0.12 3.54 0.04 -1.26 -1.82 135.00 138.95 3gxf s PRO 3 Ca -0.09 0.58 -0.31 0.00 0.04 0.00 0.00 61.00 61.22 3gxf s PRO 3 Cb -0.14 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 3gxf s PRO 3 CO -0.00 -1.44 1.54 0.00 0.04 0.00 0.00 177.00 177.14 3gxf s ILE 5 N 1.59 4.33 0.40 0.00 -1.09 -1.26 -5.00 121.20 120.16 3gxf s ILE 5 Ca 0.69 0.21 -0.22 0.00 -2.23 0.00 0.00 60.65 59.10 3gxf s ILE 5 Cb -0.40 -4.59 -0.11 0.00 -1.58 0.00 0.00 42.46 35.78 3gxf s ILE 5 CO 0.31 -1.21 0.95 -2.16 -1.23 0.00 0.00 174.94 171.59 3gxf s PRO 6 N 4.10 4.33 -0.01 2.79 0.04 -1.26 -0.20 135.00 144.79 3gxf s PRO 6 Ca 0.30 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.51 3gxf s PRO 6 Cb -0.13 -2.35 0.01 0.00 0.04 0.00 0.00 34.50 32.07 3gxf s PRO 6 CO 0.18 0.05 0.01 0.21 0.04 0.00 0.00 177.00 177.49 3gxf s LYS 7 N -2.87 0.01 -0.17 4.56 2.20 -0.60 -4.88 119.74 118.00 3gxf s LYS 7 Ca 0.59 0.04 -0.08 0.00 -0.36 0.00 0.00 55.97 56.15 3gxf s LYS 7 Cb -0.12 -0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 36.08 3gxf s LYS 7 CO 0.16 -0.04 0.11 0.45 -0.36 0.00 0.00 175.35 175.67 3gxf s SER 8 N 0.27 6.09 -0.22 1.43 0.15 -1.26 -1.34 113.70 118.81 3gxf s SER 8 Ca -0.02 0.26 0.13 0.00 0.70 0.00 0.00 55.95 57.02 3gxf s SER 8 Cb -0.03 -2.03 0.45 0.00 -1.71 0.00 0.00 66.02 62.70 3gxf s SER 8 CO -0.01 0.25 1.35 0.49 1.20 0.00 0.00 173.24 176.52 3gxf n PHE 9 N 3.03 0.62 -1.88 3.44 3.01 -1.26 -4.95 117.46 119.46 3gxf n PHE 9 Ca -0.17 -1.33 -0.04 0.00 1.01 0.00 0.00 57.45 56.91 3gxf n PHE 9 Cb 0.53 -0.34 -0.01 0.00 -0.01 0.00 0.00 39.48 39.65 3gxf n PHE 9 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gxf n GLY 10 N -1.07 0.30 0.07 1.37 0.00 -1.26 -4.89 105.19 99.71 3gxf n GLY 10 Ca 0.25 -0.74 -0.00 0.00 0.00 0.00 0.00 46.02 45.52 3gxf n GLY 10 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxf n TYR 11 N -3.76 -1.61 0.39 1.61 4.02 -1.26 -5.04 117.16 111.51 3gxf n TYR 11 Ca -0.05 -0.04 0.14 0.00 -0.01 0.00 0.00 57.90 57.94 3gxf n TYR 11 Cb 0.45 -0.01 0.49 0.00 -0.02 0.00 0.00 39.34 40.26 3gxf n TYR 11 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3gxf h SER 12 N 0.01 0.00 -1.16 7.72 4.64 -1.90 -3.45 113.55 119.40 3gxf h SER 12 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3gxf h SER 12 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3gxf h SER 12 CO 0.01 0.00 0.00 -0.24 -0.87 0.00 0.00 176.83 175.73 3gxf n SER 13 N -2.58 0.07 -4.69 4.97 2.88 -0.25 -4.84 113.62 109.18 3gxf n SER 13 Ca 0.03 -0.56 -0.26 0.00 -1.33 0.00 0.00 58.87 56.74 3gxf n SER 13 Cb 0.33 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.72 3gxf n SER 13 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3gxf s VAL 14 N -1.51 3.86 0.50 2.46 -7.23 -1.25 -4.51 120.40 112.72 3gxf s VAL 14 Ca 0.00 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 3gxf s VAL 14 Cb 0.00 -2.95 0.01 0.00 0.56 0.00 0.00 36.38 34.00 3gxf s VAL 14 CO 0.00 -0.13 0.74 0.68 -0.31 0.00 0.00 175.10 176.08 3gxf s VAL 15 N -1.77 3.43 -0.21 1.32 -7.23 -0.45 -4.39 120.40 111.10 3gxf s VAL 15 Ca 0.28 -0.52 -0.06 0.00 -1.81 0.00 0.00 61.98 59.88 3gxf s VAL 15 Cb -0.09 -3.29 -0.03 0.00 0.56 0.00 0.00 36.38 33.54 3gxf s VAL 15 CO 0.20 -0.21 0.02 0.00 -0.31 0.00 0.00 175.10 174.79 3gxf s VAL 17 N 1.04 5.06 0.09 0.00 1.01 0.72 -1.43 120.40 126.89 3gxf s VAL 17 Ca 0.02 1.36 0.05 0.00 0.00 0.00 0.00 61.98 63.42 3gxf s VAL 17 Cb -0.14 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 3gxf s VAL 17 CO 0.02 0.25 -0.14 0.00 0.00 0.00 0.00 175.10 175.22 3gxf n ASN 19 N 0.94 0.00 0.25 0.00 0.23 -0.00 -0.12 115.26 116.55 3gxf n ASN 19 Ca -0.19 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 54.00 3gxf n ASN 19 Cb 0.55 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.74 3gxf n ASN 19 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gxf h ALA 20 N 1.43 0.99 0.00 -2.53 0.00 -1.89 -3.32 119.26 113.94 3gxf h ALA 20 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gxf h ALA 20 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3gxf h ALA 20 CO 0.00 0.08 0.00 0.25 0.00 0.00 0.00 179.25 179.58 3gxf n THR 21 N -3.16 0.00 -3.67 0.00 -2.24 -1.26 -3.98 114.28 99.96 3gxf n THR 21 Ca 0.01 -0.42 -0.09 0.00 -2.27 0.00 0.00 64.05 61.29 3gxf n THR 21 Cb 0.40 1.13 -0.09 0.00 -2.10 0.00 0.00 70.33 69.67 3gxf n THR 21 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3gxf s TYR 22 N -0.16 -0.81 -0.06 4.78 5.04 -1.25 -5.15 117.35 119.74 3gxf s TYR 22 Ca 0.00 1.66 -0.28 0.00 -2.44 0.00 0.00 57.07 56.01 3gxf s TYR 22 Cb 0.00 0.43 0.06 0.00 0.35 0.00 0.00 41.96 42.80 3gxf s TYR 22 CO 0.00 -0.43 0.63 0.00 -1.34 0.00 0.00 175.55 174.41 3gxf s ASP 24 N -1.09 6.86 0.34 0.00 -4.77 -1.26 -4.79 116.67 111.96 3gxf s ASP 24 Ca -0.10 2.08 -0.09 0.00 -3.30 0.00 0.00 52.55 51.14 3gxf s ASP 24 Cb -0.01 -2.59 0.02 0.00 -1.09 0.00 0.00 42.92 39.25 3gxf s ASP 24 CO 0.09 -0.42 0.59 -0.94 0.70 0.00 0.00 175.17 175.19 3gxf s SER 25 N -1.43 0.43 0.25 2.11 1.04 -0.75 -4.96 113.70 110.39 3gxf s SER 25 Ca 0.55 -1.26 0.10 0.00 0.48 0.00 0.00 55.95 55.81 3gxf s SER 25 Cb -0.24 0.72 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 3gxf s SER 25 CO 0.30 -1.41 -0.03 -0.36 0.98 0.00 0.00 173.24 172.72 3gxf s PHE 26 N -2.96 2.67 0.76 5.02 0.40 -0.57 -2.74 117.98 120.55 3gxf s PHE 26 Ca 0.23 -0.23 -0.11 0.00 -0.60 0.00 0.00 56.93 56.23 3gxf s PHE 26 Cb -0.02 -1.20 0.05 0.00 0.51 0.00 0.00 43.02 42.36 3gxf s PHE 26 CO 0.15 0.61 1.09 -0.51 0.70 0.00 0.00 175.22 177.27 3gxf s ASP 27 N -3.52 4.86 0.41 1.36 1.01 -1.26 -4.44 116.67 115.09 3gxf s ASP 27 Ca 0.30 1.27 -0.25 0.00 0.71 0.00 0.00 52.55 54.58 3gxf s ASP 27 Cb -0.07 -2.03 -0.11 0.00 1.01 0.00 0.00 42.92 41.72 3gxf s ASP 27 CO 0.19 -1.73 1.02 -2.65 0.21 0.00 0.00 175.17 172.21 3gxf n PRO 28 N -3.27 1.38 -2.80 8.23 -0.02 -1.26 -4.79 135.00 132.48 3gxf n PRO 28 Ca 0.07 0.50 -0.34 0.00 -2.02 0.00 0.00 63.50 61.71 3gxf n PRO 28 Cb 0.56 -2.04 -0.07 0.00 -0.02 0.00 0.00 33.50 31.93 3gxf n PRO 28 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3gxf s PRO 29 N -1.98 4.24 -0.28 0.52 0.04 -1.26 -5.02 135.00 131.25 3gxf s PRO 29 Ca 0.63 1.16 -0.16 0.00 0.04 0.00 0.00 61.00 62.67 3gxf s PRO 29 Cb -0.57 -2.24 0.10 0.00 0.04 0.00 0.00 34.50 31.83 3gxf s PRO 29 CO 0.57 -0.02 0.74 0.99 0.04 0.00 0.00 177.00 179.32 3gxf s THR 30 N -2.10 -0.09 -0.02 1.26 2.01 -1.26 -5.18 115.64 110.26 3gxf s THR 30 Ca 0.61 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.64 3gxf s THR 30 Cb -0.11 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.40 3gxf s THR 30 CO 0.15 0.00 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.63 3gxf s PHE 31 N 1.70 0.91 0.96 4.92 0.08 -1.26 -5.09 117.98 120.21 3gxf s PHE 31 Ca -0.09 -0.21 -0.14 0.00 0.12 0.00 0.00 56.93 56.61 3gxf s PHE 31 Cb -0.05 -0.64 0.17 0.00 -0.57 0.00 0.00 43.02 41.93 3gxf s PHE 31 CO -0.19 -0.07 1.16 -1.25 -0.10 0.00 0.00 175.22 174.76 3gxf s PRO 32 N 0.07 0.70 0.99 0.24 0.04 -1.26 -5.05 135.00 130.73 3gxf s PRO 32 Ca -0.01 0.15 -0.15 0.00 0.04 0.00 0.00 61.00 61.03 3gxf s PRO 32 Cb -0.07 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.68 3gxf s PRO 32 CO 0.00 -2.47 0.07 0.00 0.04 0.00 0.00 177.00 174.64 3gxf n ALA 33 N -3.93 -3.45 -1.62 8.56 0.00 -1.26 -4.59 120.51 114.22 3gxf n ALA 33 Ca 0.09 -0.77 -0.42 0.00 0.00 0.00 0.00 53.44 52.34 3gxf n ALA 33 Cb 0.59 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3gxf n ALA 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3gxf n LEU 34 N -0.44 2.55 0.00 0.00 7.94 -1.26 -2.45 117.00 123.34 3gxf n LEU 34 Ca 0.04 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 3gxf n LEU 34 Cb 0.56 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 43.15 3gxf n LEU 34 CO 0.51 -1.27 0.00 0.61 -1.11 0.00 0.00 177.39 176.13 3gxf n GLY 35 N 1.11 1.06 3.22 -3.96 0.00 -1.26 -5.05 105.19 100.30 3gxf n GLY 35 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 3gxf n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gxf s THR 36 N -2.60 1.39 0.26 2.61 2.01 -1.03 -0.45 115.64 117.84 3gxf s THR 36 Ca 0.00 -1.34 0.06 0.00 0.31 0.00 0.00 61.69 60.72 3gxf s THR 36 Cb 0.00 -1.28 -0.05 0.00 0.01 0.00 0.00 72.50 71.18 3gxf s THR 36 CO 0.00 -0.09 -0.06 0.72 -0.69 0.00 0.00 174.62 174.50 3gxf s PHE 37 N -1.12 1.83 -0.11 4.92 -0.12 -0.40 -4.40 117.98 118.58 3gxf s PHE 37 Ca 0.03 -0.73 -0.00 0.00 -0.05 0.00 0.00 56.93 56.17 3gxf s PHE 37 Cb -0.10 -1.03 -0.02 0.00 -0.63 0.00 0.00 43.02 41.24 3gxf s PHE 37 CO 0.03 0.22 -0.10 -1.12 -0.05 0.00 0.00 175.22 174.20 3gxf s SER 38 N -3.40 4.30 -0.17 1.98 0.01 0.39 -2.26 113.70 114.56 3gxf s SER 38 Ca 0.28 -0.20 -0.01 0.00 1.31 0.00 0.00 55.95 57.33 3gxf s SER 38 Cb 0.04 -1.42 -0.00 0.00 0.21 0.00 0.00 66.02 64.84 3gxf s SER 38 CO 0.10 0.24 -0.13 -0.60 0.41 0.00 0.00 173.24 173.26 3gxf s ARG 39 N -0.07 3.27 -0.20 12.44 3.52 -0.23 -0.47 118.95 137.21 3gxf s ARG 39 Ca -0.01 -0.71 -0.06 0.00 -0.13 0.00 0.00 55.73 54.82 3gxf s ARG 39 Cb -0.14 -2.71 -0.03 0.00 -1.56 0.00 0.00 34.95 30.52 3gxf s ARG 39 CO 0.03 -0.00 0.02 0.71 -0.81 0.00 0.00 175.30 175.25 3gxf s TYR 40 N 0.89 3.09 -0.10 5.12 1.51 -0.35 -0.71 117.35 126.80 3gxf s TYR 40 Ca -0.03 -0.33 0.02 0.00 -1.01 0.00 0.00 57.07 55.72 3gxf s TYR 40 Cb -0.15 -2.11 0.01 0.00 -0.11 0.00 0.00 41.96 39.60 3gxf s TYR 40 CO -0.01 -0.17 -0.17 -2.00 -1.11 0.00 0.00 175.55 172.09 3gxf s GLU 41 N 0.96 2.37 -0.09 -0.62 2.12 0.17 -1.00 118.70 122.62 3gxf s GLU 41 Ca 0.02 -0.63 0.04 0.00 0.36 0.00 0.00 54.97 54.76 3gxf s GLU 41 Cb -0.14 -1.93 0.00 0.00 0.26 0.00 0.00 34.13 32.32 3gxf s GLU 41 CO 0.02 0.01 -0.22 -1.12 -0.54 0.00 0.00 175.26 173.42 3gxf s SER 42 N 0.76 2.82 0.33 -1.70 0.01 -0.92 -1.19 113.70 113.81 3gxf s SER 42 Ca -0.11 -0.50 0.10 0.00 1.31 0.00 0.00 55.95 56.75 3gxf s SER 42 Cb -0.16 -1.23 -0.06 0.00 0.21 0.00 0.00 66.02 64.78 3gxf s SER 42 CO 0.02 0.14 -0.12 0.42 0.41 0.00 0.00 173.24 174.11 3gxf s THR 43 N 0.35 2.27 0.35 1.44 -4.23 -0.41 -1.79 115.64 113.61 3gxf s THR 43 Ca -0.16 -2.25 0.10 0.00 -1.18 0.00 0.00 61.69 58.20 3gxf s THR 43 Cb -0.17 -2.56 0.08 0.00 1.34 0.00 0.00 72.50 71.20 3gxf s THR 43 CO 0.07 -0.25 1.80 -0.09 -0.54 0.00 0.00 174.62 175.61 3gxf h ARG 44 N 2.09 0.11 0.00 3.99 2.43 -1.56 -2.32 114.38 119.12 3gxf h ARG 44 Ca -0.41 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3gxf h ARG 44 Cb 1.25 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3gxf h ARG 44 CO 0.68 0.45 0.00 -1.13 -1.51 0.00 0.00 179.97 178.46 3gxf n SER 45 N -4.10 0.00 0.00 -3.80 3.41 -1.26 -4.55 113.62 103.32 3gxf n SER 45 Ca -0.02 -0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.21 3gxf n SER 45 Cb 0.41 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 3gxf n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gxf n GLY 46 N 0.90 0.15 3.76 5.00 0.00 -0.87 -5.01 105.19 109.12 3gxf n GLY 46 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3gxf n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gxf s ARG 47 N 0.00 4.62 -0.19 1.61 0.52 -1.25 -4.85 118.95 119.42 3gxf s ARG 47 Ca 0.00 1.78 -0.03 0.00 -0.52 0.00 0.00 55.73 56.96 3gxf s ARG 47 Cb 0.00 -3.16 0.06 0.00 0.52 0.00 0.00 34.95 32.37 3gxf s ARG 47 CO 0.00 0.20 0.04 1.03 0.02 0.00 0.00 175.30 176.60 3gxf s ARG 48 N -1.49 0.54 -0.81 3.54 1.81 -1.24 -1.29 118.95 120.01 3gxf s ARG 48 Ca 0.45 -0.35 -0.11 0.00 -1.72 0.00 0.00 55.73 54.00 3gxf s ARG 48 Cb -0.31 -2.03 0.02 0.00 -0.45 0.00 0.00 34.95 32.17 3gxf s ARG 48 CO 0.40 -0.64 0.21 -1.33 -0.68 0.00 0.00 175.30 173.26 3gxf n MET 49 N 5.09 -0.75 -3.14 3.54 2.81 -1.02 -4.89 117.12 118.77 3gxf n MET 49 Ca -0.09 -0.07 -0.39 0.00 -1.81 0.00 0.00 57.70 55.34 3gxf n MET 49 Cb 0.48 -1.55 -0.06 0.00 -0.71 0.00 0.00 33.22 31.38 3gxf n MET 49 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3gxf s GLU 50 N -6.06 4.37 -0.18 0.03 2.02 -0.33 -4.64 118.70 113.91 3gxf s GLU 50 Ca 0.15 0.93 -0.09 0.00 0.02 0.00 0.00 54.97 55.98 3gxf s GLU 50 Cb -0.09 -3.26 -0.05 0.00 0.10 0.00 0.00 34.13 30.84 3gxf s GLU 50 CO 0.58 0.59 0.14 -1.17 0.02 0.00 0.00 175.26 175.42 3gxf s LEU 51 N -1.07 4.25 0.27 1.80 2.96 -1.26 -0.66 118.68 124.98 3gxf s LEU 51 Ca 0.32 0.29 0.02 0.00 -0.22 0.00 0.00 54.13 54.54 3gxf s LEU 51 Cb -0.21 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.34 3gxf s LEU 51 CO 0.22 0.23 0.11 -0.94 -1.32 0.00 0.00 176.35 174.65 3gxf s SER 52 N 0.05 1.34 0.09 3.68 1.04 0.11 -5.01 113.70 115.00 3gxf s SER 52 Ca 0.10 -1.42 0.03 0.00 0.48 0.00 0.00 55.95 55.14 3gxf s SER 52 Cb -0.11 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 3gxf s SER 52 CO -0.01 -0.76 -0.10 -0.04 0.98 0.00 0.00 173.24 173.32 3gxf s MET 53 N -3.98 0.83 0.29 4.02 -1.94 -1.26 -1.07 119.30 116.18 3gxf s MET 53 Ca 0.37 -1.15 -0.10 0.00 -1.71 0.00 0.00 55.69 53.11 3gxf s MET 53 Cb 0.07 -0.50 0.04 0.00 2.01 0.00 0.00 34.83 36.45 3gxf s MET 53 CO 0.14 0.07 0.56 0.41 -0.01 0.00 0.00 175.02 176.20 3gxf n GLY 54 N 0.57 1.37 3.83 -0.03 0.00 -0.96 -4.98 105.19 105.00 3gxf n GLY 54 Ca -0.16 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 3gxf n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gxf s PRO 55 N -2.12 4.11 -0.46 1.61 0.04 -1.26 -1.28 135.00 135.64 3gxf s PRO 55 Ca 0.13 0.70 -0.15 0.00 0.04 0.00 0.00 61.00 61.72 3gxf s PRO 55 Cb -0.03 -2.82 0.06 0.00 0.04 0.00 0.00 34.50 31.75 3gxf s PRO 55 CO 0.09 0.38 0.36 0.42 0.04 0.00 0.00 177.00 178.30 3gxf s ILE 56 N -1.58 5.13 0.30 0.56 1.01 0.41 -4.50 121.20 122.52 3gxf s ILE 56 Ca 0.43 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 60.06 3gxf s ILE 56 Cb -0.15 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 3gxf s ILE 56 CO 0.20 -0.52 0.49 -1.10 0.00 0.00 0.00 174.94 174.00 3gxf s GLN 57 N 1.63 3.49 0.33 2.79 -0.21 0.11 -4.65 119.66 123.14 3gxf s GLN 57 Ca 0.04 -0.39 0.23 0.00 0.02 0.00 0.00 55.36 55.26 3gxf s GLN 57 Cb -0.23 -2.73 0.23 0.00 1.00 0.00 0.00 33.01 31.27 3gxf s GLN 57 CO 0.07 0.25 1.39 0.00 -2.12 0.00 0.00 175.29 174.88 3gxf h ALA 58 N 1.12 0.80 -3.03 6.09 0.00 -1.85 0.60 119.26 122.98 3gxf h ALA 58 Ca -0.50 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 53.81 3gxf h ALA 58 Cb 1.21 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.91 3gxf h ALA 58 CO 0.63 0.00 -0.36 -0.80 0.00 0.00 0.00 179.25 178.72 3gxf s ASN 59 N -5.77 6.42 -0.58 0.00 0.02 -1.26 -4.80 114.94 108.98 3gxf s ASN 59 Ca 0.04 0.50 -0.18 0.00 -1.02 0.00 0.00 52.86 52.19 3gxf s ASN 59 Cb 0.07 -2.16 0.11 0.00 0.02 0.00 0.00 41.25 39.29 3gxf s ASN 59 CO 0.71 0.17 0.67 -2.28 0.02 0.00 0.00 177.10 176.40 3gxf s HIS 60 N 0.12 3.03 -0.20 2.20 5.65 -1.26 -4.81 115.29 120.03 3gxf s HIS 60 Ca 0.15 -1.00 0.20 0.00 0.25 0.00 0.00 55.06 54.66 3gxf s HIS 60 Cb -0.13 -3.97 -0.04 0.00 -1.18 0.00 0.00 32.58 27.26 3gxf s HIS 60 CO 0.04 -1.25 0.99 1.79 -0.65 0.00 0.00 174.74 175.66 3gxf h THR 61 N 5.92 0.22 -3.87 0.89 1.35 -1.98 -3.47 112.91 111.98 3gxf h THR 61 Ca -0.29 -1.43 -0.52 0.00 -0.55 0.00 0.00 66.41 63.61 3gxf h THR 61 Cb 1.09 1.76 0.06 0.00 -1.73 0.00 0.00 68.15 69.33 3gxf h THR 61 CO 1.09 0.13 0.64 -0.83 -0.25 0.00 0.00 175.52 176.29 3gxf s GLY 62 N -4.53 2.99 -0.15 5.82 0.00 -1.26 -4.95 107.32 105.24 3gxf s GLY 62 Ca -0.01 1.25 0.16 0.00 0.00 0.00 0.00 44.72 46.12 3gxf s GLY 62 CO 0.79 1.90 1.17 -1.30 0.00 0.00 0.00 173.10 175.66 3gxf n THR 63 N 0.84 1.90 -2.16 0.90 -2.24 -1.26 -5.04 114.28 107.22 3gxf n THR 63 Ca 0.00 -2.46 0.00 0.00 -2.27 0.00 0.00 64.05 59.32 3gxf n THR 63 Cb 0.42 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 3gxf n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gxf n GLY 64 N -1.28 5.46 3.77 3.38 0.00 -1.26 -5.09 105.19 110.17 3gxf n GLY 64 Ca 0.16 -1.85 -0.40 0.00 0.00 0.00 0.00 46.02 43.93 3gxf n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gxf s LEU 65 N 0.00 4.13 -0.06 0.99 2.96 -1.25 -4.90 118.68 120.54 3gxf s LEU 65 Ca 0.00 2.88 0.03 0.00 -0.22 0.00 0.00 54.13 56.82 3gxf s LEU 65 Cb 0.00 -3.93 0.01 0.00 0.50 0.00 0.00 46.19 42.77 3gxf s LEU 65 CO 0.00 -1.13 -0.14 -0.22 -1.32 0.00 0.00 176.35 173.54 3gxf s LEU 66 N -2.68 1.74 -0.21 -0.68 2.96 -1.26 -1.36 118.68 117.19 3gxf s LEU 66 Ca 0.60 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.19 3gxf s LEU 66 Cb -0.43 -0.90 0.03 0.00 0.50 0.00 0.00 46.19 45.39 3gxf s LEU 66 CO 0.55 0.06 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.74 3gxf s LEU 67 N 0.53 2.63 -0.20 -0.68 1.43 0.00 -0.66 118.68 121.73 3gxf s LEU 67 Ca -0.13 -0.81 -0.05 0.00 -1.03 0.00 0.00 54.13 52.11 3gxf s LEU 67 Cb -0.15 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 3gxf s LEU 67 CO 0.04 -0.06 -0.01 -0.89 0.23 0.00 0.00 176.35 175.66 3gxf s THR 68 N 1.28 3.79 0.15 5.49 2.01 -0.35 0.03 115.64 128.03 3gxf s THR 68 Ca 0.02 -0.37 -0.31 0.00 0.31 0.00 0.00 61.69 61.34 3gxf s THR 68 Cb -0.15 -2.71 -0.08 0.00 0.01 0.00 0.00 72.50 69.56 3gxf s THR 68 CO -0.09 0.43 1.40 -0.22 -0.69 0.00 0.00 174.62 175.45 3gxf s LEU 69 N 1.08 4.38 -0.64 4.42 2.96 0.22 -1.04 118.68 130.05 3gxf s LEU 69 Ca 0.02 2.40 0.05 0.00 -0.22 0.00 0.00 54.13 56.37 3gxf s LEU 69 Cb -0.14 -3.59 0.16 0.00 0.50 0.00 0.00 46.19 43.12 3gxf s LEU 69 CO 0.01 -0.65 0.45 -1.10 -1.32 0.00 0.00 176.35 173.73 3gxf s GLN 70 N 0.77 2.20 0.54 1.98 -1.52 -0.40 -4.53 119.66 118.71 3gxf s GLN 70 Ca 0.63 -3.09 0.36 0.00 -1.95 0.00 0.00 55.36 51.31 3gxf s GLN 70 Cb -0.38 -3.15 1.79 0.00 -0.22 0.00 0.00 33.01 31.05 3gxf s GLN 70 CO 0.33 -1.28 2.09 -1.00 -0.25 0.00 0.00 175.29 175.18 3gxf h PRO 71 N 5.58 0.00 0.00 2.91 0.13 -1.94 -2.11 132.00 136.57 3gxf h PRO 71 Ca 0.13 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.22 3gxf h PRO 71 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 3gxf h PRO 71 CO 0.67 0.00 -0.34 0.93 -0.23 0.00 0.00 178.00 179.03 3gxf h GLU 72 N 0.00 0.00 -6.38 0.86 4.39 -1.95 -3.41 114.58 108.08 3gxf h GLU 72 Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 3gxf h GLU 72 Cb 0.19 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.76 3gxf h GLU 72 CO 0.00 0.15 0.82 -0.65 -1.16 0.00 0.00 179.01 178.17 3gxf s GLN 73 N -3.15 3.51 -0.07 2.33 -0.21 -0.82 -5.01 119.66 116.24 3gxf s GLN 73 Ca 0.05 0.18 0.05 0.00 0.02 0.00 0.00 55.36 55.65 3gxf s GLN 73 Cb 0.06 -3.99 -0.00 0.00 1.00 0.00 0.00 33.01 30.08 3gxf s GLN 73 CO 0.71 -1.52 -0.23 0.15 -2.12 0.00 0.00 175.29 172.29 3gxf s LYS 74 N 4.46 2.62 0.00 2.91 1.02 -1.26 -1.18 119.74 128.31 3gxf s LYS 74 Ca 0.40 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.56 3gxf s LYS 74 Cb -0.09 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 3gxf s LYS 74 CO 0.25 0.26 0.00 1.19 -0.92 0.00 0.00 175.35 176.13 3gxf n PHE 75 N 3.28 0.00 -2.10 3.18 3.01 0.54 -5.01 117.46 120.36 3gxf n PHE 75 Ca -0.19 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 57.96 3gxf n PHE 75 Cb 0.52 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.99 3gxf n PHE 75 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 3gxf s GLN 76 N 4.87 3.59 0.10 -1.08 0.00 -1.26 -4.65 119.66 121.23 3gxf s GLN 76 Ca 0.00 0.98 -0.03 0.00 -0.00 0.00 0.00 55.36 56.31 3gxf s GLN 76 Cb 0.00 -2.08 -0.05 0.00 0.00 0.00 0.00 33.01 30.88 3gxf s GLN 76 CO 0.00 -0.57 0.30 0.15 0.00 0.00 0.00 175.29 175.17 3gxf s LYS 77 N -4.41 3.54 -0.10 9.60 -0.14 -1.26 -0.85 119.74 126.12 3gxf s LYS 77 Ca 0.59 -0.23 -0.17 0.00 -1.36 0.00 0.00 55.97 54.80 3gxf s LYS 77 Cb -0.12 -2.94 -0.05 0.00 -1.68 0.00 0.00 37.83 33.04 3gxf s LYS 77 CO 0.40 0.54 0.45 0.08 -0.76 0.00 0.00 175.35 176.06 3gxf s VAL 78 N -1.58 5.17 -0.08 3.17 1.01 0.06 -4.67 120.40 123.48 3gxf s VAL 78 Ca 0.38 0.90 -0.23 0.00 0.00 0.00 0.00 61.98 63.03 3gxf s VAL 78 Cb -0.13 -3.79 -0.29 0.00 0.00 0.00 0.00 36.38 32.18 3gxf s VAL 78 CO 0.25 0.37 0.80 0.50 0.00 0.00 0.00 175.10 177.02 3gxf h LYS 79 N 6.39 0.21 0.00 2.72 1.63 -0.52 0.88 116.57 127.88 3gxf h LYS 79 Ca -0.43 -0.36 0.00 0.00 -0.85 0.00 0.00 60.65 59.01 3gxf h LYS 79 Cb 1.18 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.95 3gxf h LYS 79 CO 0.73 1.17 0.00 0.41 -3.45 0.00 0.00 179.45 178.32 3gxf n GLY 80 N 1.65 0.71 3.03 5.01 0.00 -1.21 -4.52 105.19 109.87 3gxf n GLY 80 Ca -0.15 -1.83 -0.19 0.00 0.00 0.00 0.00 46.02 43.85 3gxf n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxf s PHE 81 N -2.16 0.85 0.00 1.61 0.40 -1.26 -2.25 117.98 115.17 3gxf s PHE 81 Ca 0.00 -0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.17 3gxf s PHE 81 Cb 0.00 -0.54 0.00 0.00 0.51 0.00 0.00 43.02 42.99 3gxf s PHE 81 CO 0.00 -0.01 0.00 0.41 0.70 0.00 0.00 175.22 176.32 3gxf n GLY 82 N 2.84 2.19 3.13 4.36 0.00 -1.12 -1.30 105.19 115.29 3gxf n GLY 82 Ca -0.14 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 3gxf n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxf n GLY 83 N 0.00 1.49 3.62 -0.02 0.00 -1.05 0.58 105.19 109.80 3gxf n GLY 83 Ca 0.00 -1.34 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 3gxf n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxf s ALA 84 N -2.15 3.32 -1.19 4.61 0.00 -0.35 -1.75 121.76 124.25 3gxf s ALA 84 Ca 0.17 -0.76 -0.09 0.00 0.00 0.00 0.00 51.96 51.28 3gxf s ALA 84 Cb -0.03 -1.78 0.22 0.00 0.00 0.00 0.00 23.12 21.53 3gxf s ALA 84 CO 0.13 0.26 1.53 -0.12 0.00 0.00 0.00 175.76 177.56 3gxf n MET 85 N 3.28 3.72 -2.09 0.00 1.56 -0.24 -0.97 117.12 122.38 3gxf n MET 85 Ca -0.17 -4.01 -0.29 0.00 -0.27 0.00 0.00 57.70 52.97 3gxf n MET 85 Cb 0.53 -2.80 0.04 0.00 2.15 0.00 0.00 33.22 33.13 3gxf n MET 85 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3gxf s THR 86 N -0.25 3.51 0.24 1.12 -4.23 -1.26 -4.45 115.64 110.32 3gxf s THR 86 Ca 0.37 0.27 -0.05 0.00 -1.18 0.00 0.00 61.69 61.11 3gxf s THR 86 Cb 0.01 -3.45 0.22 0.00 1.34 0.00 0.00 72.50 70.62 3gxf s THR 86 CO 0.01 -0.55 1.71 0.44 -0.54 0.00 0.00 174.62 175.70 3gxf h ASP 87 N -0.47 0.18 -0.65 3.99 3.32 -1.93 -2.14 116.42 118.72 3gxf h ASP 87 Ca -0.45 0.12 0.06 0.00 0.02 0.00 0.00 57.03 56.78 3gxf h ASP 87 Cb 1.26 0.13 -0.06 0.00 0.22 0.00 0.00 39.33 40.87 3gxf h ASP 87 CO 0.63 0.05 0.35 0.00 -1.72 0.00 0.00 179.24 178.54 3gxf h ALA 88 N 1.56 0.87 0.00 3.45 0.00 -1.47 -0.29 119.26 123.38 3gxf h ALA 88 Ca 0.41 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 3gxf h ALA 88 Cb 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3gxf h ALA 88 CO -0.44 0.01 -0.00 0.00 0.00 0.00 0.00 179.25 178.82 3gxf h ALA 89 N 1.35 -0.00 -0.30 0.00 0.00 -1.51 -2.14 119.26 116.66 3gxf h ALA 89 Ca 0.30 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.14 3gxf h ALA 89 Cb 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3gxf h ALA 89 CO -0.20 -0.40 0.08 0.00 0.00 0.00 0.00 179.25 178.73 3gxf h ALA 90 N 0.79 0.33 -0.62 0.00 0.00 -1.20 0.26 119.26 118.82 3gxf h ALA 90 Ca -0.00 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3gxf h ALA 90 Cb 0.21 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3gxf h ALA 90 CO 0.00 -0.33 0.23 -0.07 0.00 0.00 0.00 179.25 179.08 3gxf h LEU 91 N 0.20 0.87 -0.10 0.00 3.38 -1.03 0.15 115.31 118.77 3gxf h LEU 91 Ca 0.14 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3gxf h LEU 91 Cb 0.13 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3gxf h LEU 91 CO -0.17 0.82 0.03 0.78 0.09 0.00 0.00 178.44 179.99 3gxf h ASN 92 N 0.87 0.15 -0.82 -0.43 2.35 -1.10 -2.92 115.58 113.68 3gxf h ASN 92 Ca 0.20 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3gxf h ASN 92 Cb 0.24 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 3gxf h ASN 92 CO -0.01 0.32 0.46 0.40 -1.65 0.00 0.00 177.43 176.94 3gxf h ILE 93 N -0.03 1.24 0.00 2.81 2.04 -0.69 -3.04 117.51 119.84 3gxf h ILE 93 Ca 0.03 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3gxf h ILE 93 Cb 0.22 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 3gxf h ILE 93 CO -0.00 0.27 0.00 0.18 0.00 0.00 0.00 178.15 178.60 3gxf n LEU 94 N -4.40 0.00 -1.18 1.44 4.77 0.50 -2.40 117.00 115.73 3gxf n LEU 94 Ca 0.08 0.26 0.11 0.00 -0.03 0.00 0.00 56.01 56.43 3gxf n LEU 94 Cb 0.09 -0.26 0.27 0.00 -2.33 0.00 0.00 43.42 41.19 3gxf n LEU 94 CO 0.38 -0.04 0.73 0.00 -1.33 0.00 0.00 177.39 177.13 3gxf n ALA 95 N -1.26 2.41 -2.53 -1.18 0.00 -1.11 -4.86 120.51 111.99 3gxf n ALA 95 Ca 0.13 -1.06 -0.26 0.00 0.00 0.00 0.00 53.44 52.24 3gxf n ALA 95 Cb 0.19 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 3gxf n ALA 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gxf s LEU 96 N -1.28 3.93 0.61 0.00 1.43 -1.01 -4.80 118.68 117.57 3gxf s LEU 96 Ca 0.42 0.63 -0.18 0.00 -1.03 0.00 0.00 54.13 53.98 3gxf s LEU 96 Cb 0.23 -3.51 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 3gxf s LEU 96 CO 0.31 -0.34 1.15 -0.94 0.23 0.00 0.00 176.35 176.77 3gxf s SER 97 N -3.82 5.24 0.30 2.29 1.04 -1.26 -4.69 113.70 112.80 3gxf s SER 97 Ca 0.43 2.21 0.04 0.00 0.48 0.00 0.00 55.95 59.11 3gxf s SER 97 Cb -0.10 -2.58 0.67 0.00 0.10 0.00 0.00 66.02 64.11 3gxf s SER 97 CO 0.36 -1.55 1.81 -0.65 0.98 0.00 0.00 173.24 174.20 3gxf h PRO 98 N 0.64 0.83 -0.27 4.02 0.11 -1.95 0.13 132.00 135.50 3gxf h PRO 98 Ca -0.49 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 3gxf h PRO 98 Cb 1.27 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3gxf h PRO 98 CO 0.55 0.55 0.14 -1.35 -0.21 0.00 0.00 178.00 177.68 3gxf h PRO 99 N 0.86 0.37 -0.22 1.05 0.11 -1.92 -2.14 132.00 130.11 3gxf h PRO 99 Ca 0.54 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 66.44 3gxf h PRO 99 Cb 0.72 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3gxf h PRO 99 CO -0.32 0.29 -0.55 0.00 -0.21 0.00 0.00 178.00 177.21 3gxf h ALA 100 N 1.77 0.36 -0.96 -0.75 0.00 -0.95 -2.60 119.26 116.14 3gxf h ALA 100 Ca 0.10 -0.51 0.19 0.00 0.00 0.00 0.00 54.91 54.69 3gxf h ALA 100 Cb 0.04 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.69 3gxf h ALA 100 CO -0.01 0.57 0.61 1.96 0.00 0.00 0.00 179.25 182.38 3gxf h GLN 101 N 0.49 0.59 0.06 0.00 4.20 -1.03 -1.15 115.11 118.26 3gxf h GLN 101 Ca -0.01 -0.04 -0.28 0.00 0.06 0.00 0.00 58.65 58.39 3gxf h GLN 101 Cb 1.16 -0.13 0.02 0.00 0.30 0.00 0.00 27.48 28.83 3gxf h GLN 101 CO 0.12 0.39 -1.13 -0.91 -0.67 0.00 0.00 178.83 176.63 3gxf h ASN 102 N 0.61 0.86 -0.45 1.46 2.35 -1.19 -1.59 115.58 117.63 3gxf h ASN 102 Ca 0.53 -0.74 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 3gxf h ASN 102 Cb 1.02 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 3gxf h ASN 102 CO -0.28 1.54 0.24 -0.07 -1.65 0.00 0.00 177.43 177.22 3gxf h LEU 103 N 0.33 0.59 -0.02 1.61 3.38 -1.09 0.38 115.31 120.48 3gxf h LEU 103 Ca -0.15 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3gxf h LEU 103 Cb 1.79 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.39 3gxf h LEU 103 CO 0.22 0.50 -0.01 0.25 0.09 0.00 0.00 178.44 179.49 3gxf h LEU 104 N 0.67 0.05 -0.76 1.67 6.46 -0.94 -1.61 115.31 120.85 3gxf h LEU 104 Ca 0.17 -0.40 -0.10 0.00 -0.12 0.00 0.00 57.88 57.44 3gxf h LEU 104 Cb 0.05 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 39.95 3gxf h LEU 104 CO -0.03 0.43 -0.09 -0.07 -0.62 0.00 0.00 178.44 178.07 3gxf h LEU 105 N -0.33 0.84 -1.00 2.25 3.38 -1.13 -2.50 115.31 116.82 3gxf h LEU 105 Ca 0.01 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 3gxf h LEU 105 Cb 0.41 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3gxf h LEU 105 CO 0.00 0.95 -0.09 0.11 0.09 0.00 0.00 178.44 179.51 3gxf h LYS 106 N 0.77 0.62 -0.83 1.13 1.57 -0.91 0.08 116.57 119.00 3gxf h LYS 106 Ca 0.13 -0.18 0.12 0.00 -1.87 0.00 0.00 60.65 58.85 3gxf h LYS 106 Cb 0.59 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.75 3gxf h LYS 106 CO 0.04 0.70 0.44 0.77 -0.57 0.00 0.00 179.45 180.83 3gxf h SER 107 N 0.57 0.58 0.13 0.86 0.02 -0.82 -2.21 113.55 112.68 3gxf h SER 107 Ca 0.11 0.07 -0.27 0.00 -0.84 0.00 0.00 61.79 60.86 3gxf h SER 107 Cb 0.50 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.01 3gxf h SER 107 CO 0.03 0.29 -1.31 1.88 -1.14 0.00 0.00 176.83 176.58 3gxf h TYR 108 N 0.69 0.50 0.00 3.45 0.99 -1.45 0.26 116.97 121.41 3gxf h TYR 108 Ca 0.43 -0.37 -0.23 0.00 2.00 0.00 0.00 58.73 60.56 3gxf h TYR 108 Cb 0.51 -0.02 -0.04 0.00 1.00 0.00 0.00 36.73 38.17 3gxf h TYR 108 CO -0.08 1.51 -2.11 1.19 -0.00 0.00 0.00 178.16 178.67 3gxf n PHE 109 N -3.94 0.00 -2.65 4.88 3.01 -0.01 0.05 117.46 118.80 3gxf n PHE 109 Ca -0.22 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.00 3gxf n PHE 109 Cb 0.90 -0.75 0.03 0.00 -0.01 0.00 0.00 39.48 39.66 3gxf n PHE 109 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3gxf s SER 110 N -4.89 5.51 0.49 4.37 1.04 -0.84 -4.03 113.70 115.34 3gxf s SER 110 Ca -0.08 0.34 0.33 0.00 0.48 0.00 0.00 55.95 57.01 3gxf s SER 110 Cb 0.07 -1.35 1.51 0.00 0.10 0.00 0.00 66.02 66.35 3gxf s SER 110 CO 0.75 -1.01 1.98 1.05 0.98 0.00 0.00 173.24 176.98 3gxf h GLU 111 N 0.05 0.00 -0.00 4.02 4.11 -1.85 0.50 114.58 121.40 3gxf h GLU 111 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 3gxf h GLU 111 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3gxf h GLU 111 CO 0.57 0.00 -0.10 0.39 0.07 0.00 0.00 179.01 179.94 3gxf n GLU 112 N -2.80 0.74 0.00 1.06 -0.58 -1.26 -4.69 120.64 113.11 3gxf n GLU 112 Ca -0.00 -0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.49 3gxf n GLU 112 Cb 0.20 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 3gxf n GLU 112 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gxf n GLY 113 N 1.26 3.21 0.62 0.62 0.00 0.18 -1.51 105.19 109.56 3gxf n GLY 113 Ca 0.15 -1.03 0.07 0.00 0.00 0.00 0.00 46.02 45.21 3gxf n GLY 113 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3gxf n ILE 114 N 0.00 0.13 -2.83 -0.61 -5.35 0.08 -4.85 119.36 105.92 3gxf n ILE 114 Ca 0.00 -0.56 -0.09 0.00 -0.27 0.00 0.00 62.75 61.83 3gxf n ILE 114 Cb 0.00 1.20 0.03 0.00 -1.74 0.00 0.00 39.64 39.14 3gxf n ILE 114 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gxf n GLY 115 N 0.82 0.27 3.64 3.28 0.00 -0.23 -1.44 105.19 111.54 3gxf n GLY 115 Ca 0.09 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 3gxf n GLY 115 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxf n TYR 116 N -3.12 1.31 -1.00 1.61 0.53 0.11 -4.73 117.16 111.87 3gxf n TYR 116 Ca -0.04 0.48 0.00 0.00 -1.02 0.00 0.00 57.90 57.32 3gxf n TYR 116 Cb 0.54 -2.23 0.00 0.00 -1.03 0.00 0.00 39.34 36.62 3gxf n TYR 116 CO 0.00 0.00 0.00 0.27 -1.02 0.00 0.00 176.86 176.11 3gxf n ASN 117 N -0.29 0.00 -4.01 7.72 6.94 -0.42 -4.79 115.26 120.41 3gxf n ASN 117 Ca 0.11 -1.00 -0.27 0.00 -0.02 0.00 0.00 54.58 53.40 3gxf n ASN 117 Cb 0.44 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.69 3gxf n ASN 117 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3gxf s ILE 118 N 0.00 1.30 -0.17 1.53 1.01 -0.81 0.86 121.20 124.92 3gxf s ILE 118 Ca 0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 60.65 60.13 3gxf s ILE 118 Cb 0.00 -1.22 -0.00 0.00 0.01 0.00 0.00 42.46 41.25 3gxf s ILE 118 CO 0.00 0.40 -0.14 -0.63 0.00 0.00 0.00 174.94 174.58 3gxf s ILE 119 N 1.12 2.75 -0.01 2.92 1.01 -0.26 -2.54 121.20 126.19 3gxf s ILE 119 Ca -0.05 -0.73 -0.21 0.00 0.00 0.00 0.00 60.65 59.66 3gxf s ILE 119 Cb -0.14 -2.18 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 3gxf s ILE 119 CO -0.03 0.50 0.61 -0.60 0.00 0.00 0.00 174.94 175.43 3gxf s ARG 120 N 0.92 4.34 -0.20 2.79 3.52 -0.72 -0.74 118.95 128.86 3gxf s ARG 120 Ca -0.03 0.76 0.01 0.00 -0.13 0.00 0.00 55.73 56.34 3gxf s ARG 120 Cb -0.15 -3.35 0.04 0.00 -1.56 0.00 0.00 34.95 29.93 3gxf s ARG 120 CO -0.01 0.34 -0.12 0.08 -0.81 0.00 0.00 175.30 174.78 3gxf s VAL 121 N -0.12 1.72 0.48 7.11 1.01 0.22 -1.08 120.40 129.75 3gxf s VAL 121 Ca 0.32 -1.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.05 3gxf s VAL 121 Cb -0.18 -1.75 -0.07 0.00 0.00 0.00 0.00 36.38 34.38 3gxf s VAL 121 CO 0.18 0.22 1.35 -2.84 0.00 0.00 0.00 175.10 174.01 3gxf s PRO 122 N 1.37 3.52 -0.44 2.72 0.02 -1.26 -1.97 135.00 138.97 3gxf s PRO 122 Ca -0.01 2.23 -0.18 0.00 0.02 0.00 0.00 61.00 63.07 3gxf s PRO 122 Cb -0.16 -2.48 0.03 0.00 0.02 0.00 0.00 34.50 31.91 3gxf s PRO 122 CO -0.09 -0.89 0.47 -1.64 -0.33 0.00 0.00 177.00 174.52 3gxf s MET 123 N -2.63 3.10 2.51 5.54 -1.94 -0.23 -4.83 119.30 120.82 3gxf s MET 123 Ca 0.65 -0.80 0.00 0.00 -1.71 0.00 0.00 55.69 53.83 3gxf s MET 123 Cb -0.40 -3.99 0.00 0.00 2.01 0.00 0.00 34.83 32.45 3gxf s MET 123 CO 0.49 -0.92 0.00 0.00 -0.01 0.00 0.00 175.02 174.59 3gxf n ALA 124 N 5.68 0.00 -1.68 3.03 0.00 -1.26 -4.22 120.51 122.06 3gxf n ALA 124 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.03 3gxf n ALA 124 Cb 0.47 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.93 3gxf n ALA 124 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gxf s SER 125 N -4.00 5.73 0.00 0.00 1.04 -1.13 -4.92 113.70 110.43 3gxf s SER 125 Ca 0.00 1.95 0.00 0.00 0.48 0.00 0.00 55.95 58.38 3gxf s SER 125 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 3gxf s SER 125 CO 0.00 -1.20 0.00 0.00 0.98 0.00 0.00 173.24 173.02 3gxf h ASP 127 N 0.00 0.59 0.00 0.00 2.03 -1.96 -3.00 116.42 114.09 3gxf h ASP 127 Ca 0.00 -0.01 -0.22 0.00 -0.73 0.00 0.00 57.03 56.07 3gxf h ASP 127 Cb 0.00 -0.14 -0.06 0.00 -0.83 0.00 0.00 39.33 38.30 3gxf h ASP 127 CO 0.00 0.42 -0.03 0.49 -1.03 0.00 0.00 179.24 179.09 3gxf n PHE 128 N -4.46 0.18 -4.17 4.15 3.01 -1.26 -1.80 117.46 113.11 3gxf n PHE 128 Ca 0.06 -1.54 -0.11 0.00 1.01 0.00 0.00 57.45 56.86 3gxf n PHE 128 Cb 0.10 -1.61 -0.10 0.00 -0.01 0.00 0.00 39.48 37.86 3gxf n PHE 128 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3gxf s SER 129 N 2.07 1.22 0.00 4.37 0.01 -1.14 -1.30 113.70 118.93 3gxf s SER 129 Ca 0.64 -0.97 0.23 0.00 1.31 0.00 0.00 55.95 57.16 3gxf s SER 129 Cb 0.29 0.08 0.58 0.00 0.21 0.00 0.00 66.02 67.18 3gxf s SER 129 CO -0.00 -0.43 1.48 2.30 0.41 0.00 0.00 173.24 176.99 3gxf n ILE 130 N 0.05 0.22 -3.75 1.44 -6.64 -1.26 -2.55 119.36 106.87 3gxf n ILE 130 Ca -0.13 -0.49 -0.09 0.00 -1.77 0.00 0.00 62.75 60.28 3gxf n ILE 130 Cb 0.60 0.81 -0.03 0.00 -1.44 0.00 0.00 39.64 39.59 3gxf n ILE 130 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3gxf s ARG 131 N -1.78 1.58 -0.01 6.28 1.70 -1.26 -4.94 118.95 120.52 3gxf s ARG 131 Ca 0.34 -0.87 -0.16 0.00 -0.47 0.00 0.00 55.73 54.58 3gxf s ARG 131 Cb 0.20 0.58 -0.06 0.00 -0.57 0.00 0.00 34.95 35.11 3gxf s ARG 131 CO 0.30 -0.71 0.43 0.95 -1.08 0.00 0.00 175.30 175.19 3gxf s THR 132 N -3.88 5.03 -0.06 4.99 -4.23 -1.26 -4.81 115.64 111.41 3gxf s THR 132 Ca 0.09 0.89 -0.30 0.00 -1.18 0.00 0.00 61.69 61.19 3gxf s THR 132 Cb -0.04 -3.74 0.11 0.00 1.34 0.00 0.00 72.50 70.17 3gxf s THR 132 CO 0.01 0.53 0.95 -0.72 -0.54 0.00 0.00 174.62 174.85 3gxf s TYR 133 N -0.79 -0.32 0.39 3.99 -0.85 -1.26 -5.03 117.35 113.48 3gxf s TYR 133 Ca 0.24 0.29 0.04 0.00 -0.52 0.00 0.00 57.07 57.12 3gxf s TYR 133 Cb -0.17 0.52 -0.02 0.00 0.38 0.00 0.00 41.96 42.67 3gxf s TYR 133 CO 0.13 -0.46 0.15 0.25 -1.52 0.00 0.00 175.55 174.11 3gxf n THR 134 N -0.01 0.00 1.59 -3.49 -2.24 -1.26 -2.84 114.28 106.03 3gxf n THR 134 Ca -0.08 -2.32 0.13 0.00 -2.27 0.00 0.00 64.05 59.51 3gxf n THR 134 Cb 0.60 0.86 0.58 0.00 -2.10 0.00 0.00 70.33 70.27 3gxf n THR 134 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3gxf n TYR 135 N -0.87 0.05 -2.90 4.78 4.02 -1.26 -4.43 117.16 116.53 3gxf n TYR 135 Ca -0.05 -0.02 -0.13 0.00 -0.01 0.00 0.00 57.90 57.69 3gxf n TYR 135 Cb 0.60 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.95 3gxf n TYR 135 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3gxf n ALA 136 N -0.13 0.13 0.30 -0.72 0.00 -1.26 -0.64 120.51 118.19 3gxf n ALA 136 Ca 0.19 -2.15 0.12 0.00 0.00 0.00 0.00 53.44 51.59 3gxf n ALA 136 Cb 0.27 -1.10 0.09 0.00 0.00 0.00 0.00 19.45 18.71 3gxf n ALA 136 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3gxf h ASP 137 N 3.40 0.00 -2.15 0.00 3.32 -1.89 -3.43 116.42 115.66 3gxf h ASP 137 Ca -0.04 -0.08 -0.57 0.00 0.02 0.00 0.00 57.03 56.36 3gxf h ASP 137 Cb 1.02 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.58 3gxf h ASP 137 CO 0.31 0.04 1.39 -0.89 -1.72 0.00 0.00 179.24 178.37 3gxf s THR 138 N -3.27 3.02 0.59 0.35 2.01 -1.26 -4.91 115.64 112.17 3gxf s THR 138 Ca 0.03 0.03 -0.20 0.00 0.31 0.00 0.00 61.69 61.86 3gxf s THR 138 Cb 0.10 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 3gxf s THR 138 CO 0.75 -0.01 1.31 -2.65 -0.69 0.00 0.00 174.62 173.33 3gxf n PRO 139 N 8.28 1.41 -3.92 4.92 -0.02 -1.26 -3.61 135.00 140.80 3gxf n PRO 139 Ca 0.26 0.53 -0.26 0.00 -2.02 0.00 0.00 63.50 62.01 3gxf n PRO 139 Cb 0.43 -2.53 -0.00 0.00 -0.02 0.00 0.00 33.50 31.38 3gxf n PRO 139 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3gxf n ASP 140 N -1.35 -1.41 -3.73 2.55 9.92 -1.26 -4.88 116.55 116.37 3gxf n ASP 140 Ca 0.13 -0.93 -0.42 0.00 -0.53 0.00 0.00 54.79 53.04 3gxf n ASP 140 Cb 0.46 -3.36 0.02 0.00 -0.64 0.00 0.00 41.12 37.60 3gxf n ASP 140 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3gxf n ASP 141 N -2.95 7.12 0.18 -2.24 2.03 -1.24 -4.87 116.55 114.59 3gxf n ASP 141 Ca -0.22 -3.57 0.13 0.00 0.52 0.00 0.00 54.79 51.65 3gxf n ASP 141 Cb 0.64 -1.22 0.64 0.00 -0.72 0.00 0.00 41.12 40.47 3gxf n ASP 141 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 3gxf h PHE 142 N 4.59 0.00 -0.26 -0.67 -1.00 -1.92 0.41 116.94 118.08 3gxf h PHE 142 Ca 0.46 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.24 3gxf h PHE 142 Cb 0.40 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.96 3gxf h PHE 142 CO 1.27 0.00 0.00 1.04 -1.61 0.00 0.00 178.31 179.01 3gxf n GLN 143 N -2.38 2.10 -3.57 1.51 1.13 -1.26 -4.68 117.38 110.23 3gxf n GLN 143 Ca -0.01 -1.96 -0.24 0.00 -1.94 0.00 0.00 57.00 52.85 3gxf n GLN 143 Cb 0.09 -1.40 0.05 0.00 0.11 0.00 0.00 30.24 29.09 3gxf n GLN 143 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3gxf n LEU 144 N 1.11 -3.68 0.13 1.08 4.77 0.14 -4.92 117.00 115.63 3gxf n LEU 144 Ca 0.15 -0.88 -0.22 0.00 -0.03 0.00 0.00 56.01 55.02 3gxf n LEU 144 Cb 0.50 -2.69 -0.15 0.00 -2.33 0.00 0.00 43.42 38.75 3gxf n LEU 144 CO 0.12 0.35 -0.16 0.45 -1.33 0.00 0.00 177.39 176.83 3gxf h HIS 145 N -1.67 0.89 -0.40 -1.77 3.86 -1.95 -3.29 115.15 110.83 3gxf h HIS 145 Ca -0.64 -0.63 0.00 0.00 -1.16 0.00 0.00 60.37 57.94 3gxf h HIS 145 Cb 1.35 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.77 3gxf h HIS 145 CO 0.36 1.49 0.00 0.09 0.86 0.00 0.00 177.93 180.73 3gxf n ASN 146 N -3.70 3.27 -4.68 2.45 3.02 -1.26 -4.91 115.26 109.45 3gxf n ASN 146 Ca -0.14 -2.32 -0.42 0.00 -0.03 0.00 0.00 54.58 51.67 3gxf n ASN 146 Cb 1.06 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 39.73 3gxf n ASN 146 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3gxf s PHE 147 N -1.78 1.85 0.11 3.10 5.36 -1.24 -4.68 117.98 120.70 3gxf s PHE 147 Ca 0.32 -0.17 -0.18 0.00 -0.96 0.00 0.00 56.93 55.94 3gxf s PHE 147 Cb 0.21 -4.20 0.04 0.00 -0.34 0.00 0.00 43.02 38.73 3gxf s PHE 147 CO 0.15 -5.12 0.43 -1.54 -1.46 0.00 0.00 175.22 167.68 3gxf s SER 148 N 3.29 -0.29 -0.12 6.13 1.04 0.19 -5.02 113.70 118.92 3gxf s SER 148 Ca 0.83 -0.18 -0.29 0.00 0.48 0.00 0.00 55.95 56.79 3gxf s SER 148 Cb -0.45 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 3gxf s SER 148 CO 0.38 -0.81 1.02 -0.76 0.98 0.00 0.00 173.24 174.05 3gxf s LEU 149 N -2.57 4.23 0.00 2.42 1.43 -1.26 -4.56 118.68 118.37 3gxf s LEU 149 Ca 0.00 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 3gxf s LEU 149 Cb 0.01 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.67 3gxf s LEU 149 CO -0.09 -0.48 0.00 -0.81 0.23 0.00 0.00 176.35 175.19 3gxf n PRO 150 N 5.18 1.46 0.06 1.29 -0.04 -1.26 -4.79 135.00 136.89 3gxf n PRO 150 Ca 0.09 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.45 3gxf n PRO 150 Cb 0.48 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.81 3gxf n PRO 150 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3gxf h GLU 151 N 0.00 0.08 -0.73 0.54 4.81 -1.97 -2.57 114.58 114.74 3gxf h GLU 151 Ca 0.00 -0.14 0.16 0.00 -0.13 0.00 0.00 59.36 59.25 3gxf h GLU 151 Cb 0.00 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 29.31 3gxf h GLU 151 CO 0.00 0.98 0.02 0.93 -0.73 0.00 0.00 179.01 180.21 3gxf h GLU 152 N 0.02 0.12 0.06 1.92 3.07 -1.97 0.32 114.58 118.13 3gxf h GLU 152 Ca -0.11 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.74 3gxf h GLU 152 Cb 1.88 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.76 3gxf h GLU 152 CO 0.14 0.08 -0.03 -0.44 -1.40 0.00 0.00 179.01 177.36 3gxf h ASP 153 N 0.12 -0.07 0.54 1.42 3.32 -1.93 0.26 116.42 120.08 3gxf h ASP 153 Ca 0.40 -0.43 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 3gxf h ASP 153 Cb 0.70 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3gxf h ASP 153 CO -0.63 0.60 -0.36 0.71 -1.72 0.00 0.00 179.24 177.85 3gxf h THR 154 N -0.96 1.06 0.00 0.35 1.35 -1.35 0.18 112.91 113.53 3gxf h THR 154 Ca -0.01 -1.32 -0.36 0.00 -0.55 0.00 0.00 66.41 64.17 3gxf h THR 154 Cb 0.50 1.76 -0.06 0.00 -1.73 0.00 0.00 68.15 68.62 3gxf h THR 154 CO 0.01 0.35 -2.35 1.17 -0.25 0.00 0.00 175.52 174.46 3gxf n LYS 155 N -3.82 0.60 -0.03 4.72 4.81 0.11 -4.55 118.16 120.01 3gxf n LYS 155 Ca -0.01 0.13 -0.03 0.00 -0.87 0.00 0.00 58.31 57.53 3gxf n LYS 155 Cb 0.43 -1.47 -0.01 0.00 0.02 0.00 0.00 35.03 34.00 3gxf n LYS 155 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3gxf n LEU 156 N -3.18 0.56 0.18 3.14 4.77 -1.03 -4.64 117.00 116.80 3gxf n LEU 156 Ca -0.42 0.10 -0.14 0.00 -0.03 0.00 0.00 56.01 55.52 3gxf n LEU 156 Cb 0.95 -0.57 -0.08 0.00 -2.33 0.00 0.00 43.42 41.39 3gxf n LEU 156 CO 0.24 -0.43 0.59 0.11 -1.33 0.00 0.00 177.39 176.57 3gxf h LYS 157 N -0.29 -0.44 0.39 3.23 1.57 -0.52 -3.03 116.57 117.48 3gxf h LYS 157 Ca 0.00 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3gxf h LYS 157 Cb 0.29 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3gxf h LYS 157 CO 0.00 -0.15 -0.19 0.82 -0.57 0.00 0.00 179.45 179.36 3gxf h ILE 158 N -0.72 0.62 -0.90 1.86 2.04 -1.19 -0.29 117.51 118.94 3gxf h ILE 158 Ca -0.05 -0.02 0.09 0.00 1.00 0.00 0.00 64.86 65.89 3gxf h ILE 158 Cb 0.49 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.14 3gxf h ILE 158 CO 0.08 0.00 0.58 -0.65 0.00 0.00 0.00 178.15 178.16 3gxf h PRO 159 N -0.53 0.89 -0.53 2.37 0.11 -1.78 0.13 132.00 132.66 3gxf h PRO 159 Ca -0.05 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.97 3gxf h PRO 159 Cb 0.41 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 3gxf h PRO 159 CO 0.09 0.59 0.21 -0.07 -0.21 0.00 0.00 178.00 178.60 3gxf h LEU 160 N 0.91 0.73 -0.54 2.35 3.38 -1.32 -1.33 115.31 119.49 3gxf h LEU 160 Ca 0.41 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 3gxf h LEU 160 Cb 0.37 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3gxf h LEU 160 CO -0.17 0.70 0.08 0.40 0.09 0.00 0.00 178.44 179.54 3gxf h ILE 161 N 0.72 1.26 -0.98 1.22 2.04 -0.45 -1.30 117.51 120.01 3gxf h ILE 161 Ca 0.18 -0.98 0.13 0.00 1.00 0.00 0.00 64.86 65.19 3gxf h ILE 161 Cb 0.20 0.83 -0.08 0.00 -0.74 0.00 0.00 36.82 37.03 3gxf h ILE 161 CO -0.01 0.35 0.62 0.45 0.00 0.00 0.00 178.15 179.56 3gxf h HIS 162 N 0.80 1.07 0.00 1.37 3.86 -0.48 -1.82 115.15 119.94 3gxf h HIS 162 Ca 0.16 0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.24 3gxf h HIS 162 Cb 0.42 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 3gxf h HIS 162 CO 0.03 0.39 -0.81 0.00 0.86 0.00 0.00 177.93 178.40 3gxf h ARG 163 N 0.90 0.00 -0.30 2.45 3.08 -0.59 -2.37 114.38 117.54 3gxf h ARG 163 Ca 0.50 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.50 3gxf h ARG 163 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 3gxf h ARG 163 CO -0.27 0.77 0.02 0.00 -1.07 0.00 0.00 179.97 179.43 3gxf h ALA 164 N 1.21 0.41 -0.32 0.04 0.00 -0.88 -2.42 119.26 117.30 3gxf h ALA 164 Ca -0.01 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3gxf h ALA 164 Cb 1.61 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 3gxf h ALA 164 CO 0.10 0.13 -0.11 -0.07 0.00 0.00 0.00 179.25 179.30 3gxf h LEU 165 N 0.33 0.53 -0.59 0.00 3.38 -1.25 -1.25 115.31 116.45 3gxf h LEU 165 Ca 0.09 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 3gxf h LEU 165 Cb 0.39 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3gxf h LEU 165 CO 0.01 0.67 -0.16 1.56 0.09 0.00 0.00 178.44 180.61 3gxf h GLN 166 N 0.50 0.96 0.00 1.13 4.20 -1.41 -3.04 115.11 117.45 3gxf h GLN 166 Ca 0.09 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.41 3gxf h GLN 166 Cb 0.49 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 3gxf h GLN 166 CO 0.03 1.04 -0.11 -0.07 -0.67 0.00 0.00 178.83 179.05 3gxf h LEU 167 N 0.84 0.00 -9.38 1.46 3.38 -1.07 -3.44 115.31 107.10 3gxf h LEU 167 Ca 0.12 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.55 3gxf h LEU 167 Cb 0.71 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3gxf h LEU 167 CO 0.05 0.11 0.43 0.00 0.09 0.00 0.00 178.44 179.12 3gxf s ALA 168 N -3.42 3.23 -0.13 1.53 0.00 -0.50 -3.99 121.76 118.48 3gxf s ALA 168 Ca 0.03 0.52 -0.25 0.00 0.00 0.00 0.00 51.96 52.27 3gxf s ALA 168 Cb 0.08 -3.37 -0.22 0.00 0.00 0.00 0.00 23.12 19.61 3gxf s ALA 168 CO 0.63 -0.33 0.70 1.96 0.00 0.00 0.00 175.76 178.72 3gxf h GLN 169 N 6.88 -0.01 -6.53 0.00 4.20 -1.86 -3.45 115.11 114.33 3gxf h GLN 169 Ca -0.39 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 57.72 3gxf h GLN 169 Cb 1.20 0.00 0.09 0.00 0.30 0.00 0.00 27.48 29.07 3gxf h GLN 169 CO 0.78 0.83 0.44 0.54 -0.67 0.00 0.00 178.83 180.74 3gxf n ARG 170 N -4.65 1.74 -1.63 1.46 1.74 -1.26 -4.95 116.66 109.10 3gxf n ARG 170 Ca -0.09 0.61 -0.50 0.00 -0.77 0.00 0.00 57.85 57.11 3gxf n ARG 170 Cb 0.40 -2.17 -0.05 0.00 -1.02 0.00 0.00 32.46 29.62 3gxf n ARG 170 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3gxf n PRO 171 N 1.52 1.61 -3.50 5.56 -0.02 -1.26 -4.99 135.00 133.92 3gxf n PRO 171 Ca 0.11 0.58 -0.37 0.00 -2.02 0.00 0.00 63.50 61.80 3gxf n PRO 171 Cb 0.31 -2.29 -0.07 0.00 -0.02 0.00 0.00 33.50 31.43 3gxf n PRO 171 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gxf s VAL 172 N 0.99 5.29 -0.17 -1.45 1.01 -1.26 -4.77 120.40 120.04 3gxf s VAL 172 Ca 0.83 0.59 -0.07 0.00 0.00 0.00 0.00 61.98 63.33 3gxf s VAL 172 Cb -0.84 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 3gxf s VAL 172 CO 0.44 0.37 0.07 -0.44 0.00 0.00 0.00 175.10 175.54 3gxf s SER 173 N 0.56 5.69 0.01 3.32 0.01 0.25 -4.97 113.70 118.57 3gxf s SER 173 Ca 0.17 0.13 -0.12 0.00 1.31 0.00 0.00 55.95 57.44 3gxf s SER 173 Cb -0.13 -1.93 -0.05 0.00 0.21 0.00 0.00 66.02 64.11 3gxf s SER 173 CO 0.05 0.22 0.36 -0.76 0.41 0.00 0.00 173.24 173.52 3gxf s LEU 174 N 0.12 4.42 -0.03 2.44 1.43 -1.26 -1.11 118.68 124.70 3gxf s LEU 174 Ca 0.05 0.83 0.03 0.00 -1.03 0.00 0.00 54.13 54.01 3gxf s LEU 174 Cb -0.12 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.46 3gxf s LEU 174 CO 0.01 0.29 -0.10 -0.22 0.23 0.00 0.00 176.35 176.55 3gxf s LEU 175 N -1.36 1.82 -0.01 1.79 2.96 0.08 -0.62 118.68 123.34 3gxf s LEU 175 Ca 0.26 -0.21 0.07 0.00 -0.22 0.00 0.00 54.13 54.02 3gxf s LEU 175 Cb -0.15 -0.62 -0.02 0.00 0.50 0.00 0.00 46.19 45.91 3gxf s LEU 175 CO 0.14 0.08 -0.22 0.00 -1.32 0.00 0.00 176.35 175.03 3gxf s ALA 176 N 0.14 1.87 -0.02 5.97 0.00 -0.78 0.73 121.76 129.67 3gxf s ALA 176 Ca -0.03 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.96 3gxf s ALA 176 Cb -0.09 -0.47 0.03 0.00 0.00 0.00 0.00 23.12 22.59 3gxf s ALA 176 CO 0.01 0.46 0.03 -1.12 0.00 0.00 0.00 175.76 175.13 3gxf s SER 177 N -0.57 0.11 0.32 0.00 0.01 -0.83 -0.52 113.70 112.22 3gxf s SER 177 Ca 0.09 0.03 -0.19 0.00 1.31 0.00 0.00 55.95 57.19 3gxf s SER 177 Cb -0.09 -0.09 -0.09 0.00 0.21 0.00 0.00 66.02 65.96 3gxf s SER 177 CO -0.01 -0.13 0.81 -2.16 0.41 0.00 0.00 173.24 172.16 3gxf s PRO 178 N 1.07 4.20 -0.23 12.44 0.04 -1.26 -1.07 135.00 150.19 3gxf s PRO 178 Ca -0.09 0.91 -0.15 0.00 0.04 0.00 0.00 61.00 61.71 3gxf s PRO 178 Cb -0.13 -2.56 -0.10 0.00 0.04 0.00 0.00 34.50 31.75 3gxf s PRO 178 CO -0.03 0.20 -0.34 0.91 0.04 0.00 0.00 177.00 177.78 3gxf n TRP 179 N 0.02 0.00 -4.15 0.56 8.01 -1.26 0.14 117.44 120.76 3gxf n TRP 179 Ca 0.02 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.08 3gxf n TRP 179 Cb 0.52 -0.80 -0.11 0.00 -2.01 0.00 0.00 31.31 28.92 3gxf n TRP 179 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.69 176.60 3gxf s THR 180 N -2.62 0.78 0.57 -0.99 -1.32 -1.26 -2.70 115.64 108.08 3gxf s THR 180 Ca -0.34 -1.61 -0.06 0.00 -1.21 0.00 0.00 61.69 58.47 3gxf s THR 180 Cb 0.11 -1.30 -0.01 0.00 -1.51 0.00 0.00 72.50 69.80 3gxf s THR 180 CO 0.45 -0.62 0.88 -0.94 -2.21 0.00 0.00 174.62 172.18 3gxf s SER 181 N -2.44 5.80 0.33 8.08 1.04 -1.26 -4.96 113.70 120.29 3gxf s SER 181 Ca 0.04 0.82 -0.24 0.00 0.48 0.00 0.00 55.95 57.05 3gxf s SER 181 Cb -0.02 -1.90 -0.15 0.00 0.10 0.00 0.00 66.02 64.05 3gxf s SER 181 CO -0.01 -0.93 0.35 -2.65 0.98 0.00 0.00 173.24 170.97 3gxf n PRO 182 N -2.51 0.15 0.21 4.02 -0.02 -1.26 -4.87 135.00 130.71 3gxf n PRO 182 Ca 0.04 0.06 0.10 0.00 -2.02 0.00 0.00 63.50 61.67 3gxf n PRO 182 Cb 0.57 -1.12 0.18 0.00 -0.02 0.00 0.00 33.50 33.10 3gxf n PRO 182 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3gxf h THR 183 N 0.70 0.21 0.00 3.45 1.35 -1.89 -2.59 112.91 114.13 3gxf h THR 183 Ca -0.35 -1.25 0.00 0.00 -0.55 0.00 0.00 66.41 64.26 3gxf h THR 183 Cb 1.43 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.91 3gxf h THR 183 CO 0.52 0.12 0.00 -2.67 -0.25 0.00 0.00 175.52 173.23 3gxf n TRP 184 N -3.14 0.00 -0.80 4.73 4.27 -1.26 -2.23 117.44 119.01 3gxf n TRP 184 Ca 0.03 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.72 3gxf n TRP 184 Cb 0.56 -0.03 0.30 0.00 -1.36 0.00 0.00 31.31 30.78 3gxf n TRP 184 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 3gxf n LEU 185 N -1.03 4.35 -4.19 5.67 4.77 -0.98 -4.85 117.00 120.75 3gxf n LEU 185 Ca 0.11 -2.76 -0.24 0.00 -0.03 0.00 0.00 56.01 53.09 3gxf n LEU 185 Cb 0.06 -0.54 -0.14 0.00 -2.33 0.00 0.00 43.42 40.46 3gxf n LEU 185 CO 0.09 0.70 -0.50 -0.54 -1.33 0.00 0.00 177.39 175.81 3gxf s LYS 186 N -2.40 1.27 0.30 3.23 1.02 -0.95 -2.29 119.74 119.94 3gxf s LYS 186 Ca 0.44 -0.77 0.05 0.00 0.02 0.00 0.00 55.97 55.72 3gxf s LYS 186 Cb 0.33 -1.30 0.70 0.00 -0.52 0.00 0.00 37.83 37.04 3gxf s LYS 186 CO 0.14 0.34 1.80 1.79 -0.92 0.00 0.00 175.35 178.50 3gxf h THR 187 N 4.53 0.77 -0.37 2.17 1.35 -0.58 -2.85 112.91 117.93 3gxf h THR 187 Ca -0.39 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 3gxf h THR 187 Cb 1.16 -0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 3gxf h THR 187 CO 0.46 0.15 0.00 -0.46 -0.25 0.00 0.00 175.52 175.41 3gxf n ASN 188 N -4.71 3.11 -4.13 5.36 6.94 -1.26 -4.98 115.26 115.59 3gxf n ASN 188 Ca 0.22 -1.91 -0.28 0.00 -0.02 0.00 0.00 54.58 52.59 3gxf n ASN 188 Cb 0.51 -0.24 -0.09 0.00 -2.36 0.00 0.00 39.78 37.60 3gxf n ASN 188 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gxf n GLY 189 N 1.03 -0.12 3.20 4.83 0.00 -1.08 -4.96 105.19 108.09 3gxf n GLY 189 Ca 0.15 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 3gxf n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxf s ALA 190 N -4.21 -0.76 0.30 4.61 0.00 -1.26 -4.97 121.76 115.48 3gxf s ALA 190 Ca 0.02 0.84 0.21 0.00 0.00 0.00 0.00 51.96 53.04 3gxf s ALA 190 Cb -0.01 -0.48 1.01 0.00 0.00 0.00 0.00 23.12 23.64 3gxf s ALA 190 CO 0.90 -0.15 1.90 -0.39 0.00 0.00 0.00 175.76 178.01 3gxf h VAL 191 N 4.62 0.80 -3.13 0.00 -1.51 -1.92 -3.46 116.25 111.65 3gxf h VAL 191 Ca -0.26 -1.03 0.00 0.00 -1.23 0.00 0.00 66.70 64.18 3gxf h VAL 191 Cb 1.19 1.63 0.00 0.00 -2.13 0.00 0.00 31.29 31.98 3gxf h VAL 191 CO 0.32 0.25 0.00 -0.46 -1.23 0.00 0.00 177.57 176.45 3gxf n ASN 192 N -3.68 1.79 -0.96 4.19 0.23 -1.26 -2.52 115.26 113.05 3gxf n ASN 192 Ca -0.01 -0.13 0.12 0.00 -0.53 0.00 0.00 54.58 54.03 3gxf n ASN 192 Cb 0.37 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.02 3gxf n ASN 192 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gxf n GLY 193 N 5.00 -2.72 3.57 4.83 0.00 0.20 -4.77 105.19 111.31 3gxf n GLY 193 Ca 0.00 -1.21 -0.47 0.00 0.00 0.00 0.00 46.02 44.34 3gxf n GLY 193 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gxf n LYS 194 N -3.64 1.77 0.00 1.61 4.81 -1.06 -4.49 118.16 117.16 3gxf n LYS 194 Ca -0.04 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 3gxf n LYS 194 Cb 0.45 -2.84 0.00 0.00 0.02 0.00 0.00 35.03 32.66 3gxf n LYS 194 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gxf n GLY 195 N 5.65 1.12 1.41 3.14 0.00 -0.66 -4.74 105.19 111.09 3gxf n GLY 195 Ca 0.31 0.38 -0.13 0.00 0.00 0.00 0.00 46.02 46.59 3gxf n GLY 195 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gxf n SER 196 N 0.00 2.52 -4.76 1.61 7.64 -1.26 -1.20 113.62 118.16 3gxf n SER 196 Ca 0.00 -1.86 -0.34 0.00 1.01 0.00 0.00 58.87 57.68 3gxf n SER 196 Cb 0.00 0.13 0.05 0.00 -1.01 0.00 0.00 64.21 63.38 3gxf n SER 196 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3gxf s LEU 197 N 0.00 3.48 0.48 -3.43 1.43 -1.26 0.06 118.68 119.44 3gxf s LEU 197 Ca 0.00 2.16 -0.22 0.00 -1.03 0.00 0.00 54.13 55.04 3gxf s LEU 197 Cb -0.00 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.58 3gxf s LEU 197 CO 0.00 -1.68 1.12 -0.54 0.23 0.00 0.00 176.35 175.48 3gxf s LYS 198 N -3.80 3.70 4.88 1.70 1.02 -0.97 -4.39 119.74 121.88 3gxf s LYS 198 Ca 0.71 1.62 0.00 0.00 0.02 0.00 0.00 55.97 58.32 3gxf s LYS 198 Cb -0.24 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.82 3gxf s LYS 198 CO 0.38 -0.56 0.00 0.41 -0.92 0.00 0.00 175.35 174.66 3gxf n GLY 199 N 0.23 0.81 3.25 -3.33 0.00 -1.26 -4.54 105.19 100.35 3gxf n GLY 199 Ca 0.09 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 3gxf n GLY 199 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gxf s GLN 200 N 0.00 0.70 0.40 1.61 -2.07 -1.26 -5.10 119.66 113.94 3gxf s GLN 200 Ca 0.00 -0.21 -0.23 0.00 -1.82 0.00 0.00 55.36 53.10 3gxf s GLN 200 Cb 0.00 0.31 -0.14 0.00 -1.09 0.00 0.00 33.01 32.10 3gxf s GLN 200 CO 0.00 -0.20 0.47 -2.30 -1.32 0.00 0.00 175.29 171.94 3gxf n PRO 201 N 1.18 0.44 0.00 9.60 -0.02 -1.26 -1.63 135.00 143.31 3gxf n PRO 201 Ca -0.21 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 3gxf n PRO 201 Cb 0.56 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 3gxf n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gxf n GLY 202 N 1.89 2.75 0.90 -1.23 0.00 -1.26 -5.03 105.19 103.21 3gxf n GLY 202 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 3gxf n GLY 202 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gxf n ASP 203 N 0.54 -1.30 0.11 1.61 5.68 -0.64 -4.72 116.55 117.83 3gxf n ASP 203 Ca 0.00 -0.66 -0.03 0.00 -0.50 0.00 0.00 54.79 53.60 3gxf n ASP 203 Cb 0.00 -0.26 0.06 0.00 -1.14 0.00 0.00 41.12 39.78 3gxf n ASP 203 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3gxf h ILE 204 N -1.83 1.50 0.39 2.12 2.10 -1.94 -1.24 117.51 118.61 3gxf h ILE 204 Ca -0.11 -2.62 -0.02 0.00 1.08 0.00 0.00 64.86 63.19 3gxf h ILE 204 Cb 0.32 2.43 0.00 0.00 -1.09 0.00 0.00 36.82 38.49 3gxf h ILE 204 CO 0.07 0.74 -0.19 1.88 -1.08 0.00 0.00 178.15 179.57 3gxf h TYR 205 N 0.00 -0.49 -0.36 2.19 -1.99 -1.92 -2.18 116.97 112.22 3gxf h TYR 205 Ca -0.01 -0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.74 3gxf h TYR 205 Cb 1.37 0.16 -0.02 0.00 2.00 0.00 0.00 36.73 40.24 3gxf h TYR 205 CO 0.00 -0.18 0.24 0.45 -0.00 0.00 0.00 178.16 178.68 3gxf h HIS 206 N -0.78 0.36 -0.05 4.88 3.86 -1.79 -0.10 115.15 121.55 3gxf h HIS 206 Ca -0.05 0.01 -0.22 0.00 -1.16 0.00 0.00 60.37 58.94 3gxf h HIS 206 Cb 0.53 -0.12 0.01 0.00 1.06 0.00 0.00 27.41 28.88 3gxf h HIS 206 CO 0.01 0.21 -0.87 1.96 0.86 0.00 0.00 177.93 180.09 3gxf h GLN 207 N 0.38 0.53 -0.37 2.45 1.08 -1.23 -2.54 115.11 115.41 3gxf h GLN 207 Ca 0.15 -0.51 -0.03 0.00 -1.45 0.00 0.00 58.65 56.82 3gxf h GLN 207 Cb 0.12 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 3gxf h GLN 207 CO -0.03 1.14 0.12 1.15 -0.95 0.00 0.00 178.83 180.26 3gxf h THR 208 N 0.33 1.20 0.38 -0.54 2.02 -0.69 0.12 112.91 115.73 3gxf h THR 208 Ca -0.07 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 3gxf h THR 208 Cb 1.50 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 3gxf h THR 208 CO 0.16 0.23 -0.26 -0.25 0.37 0.00 0.00 175.52 175.77 3gxf h TRP 209 N 0.44 -0.69 -0.91 3.16 -0.00 -1.07 0.10 115.95 116.98 3gxf h TRP 209 Ca 0.12 -0.00 0.12 0.00 -0.00 0.00 0.00 58.89 59.13 3gxf h TRP 209 Cb 0.23 0.25 -0.07 0.00 -0.00 0.00 0.00 29.16 29.58 3gxf h TRP 209 CO 0.01 -0.40 0.58 0.00 -0.00 0.00 0.00 178.44 178.63 3gxf h ALA 210 N -0.06 1.71 -0.14 2.65 0.00 -1.43 -0.88 119.26 121.10 3gxf h ALA 210 Ca -0.04 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3gxf h ALA 210 Cb 0.53 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3gxf h ALA 210 CO 0.02 0.07 -0.23 -0.09 0.00 0.00 0.00 179.25 179.02 3gxf h ARG 211 N 0.81 0.25 -0.99 0.00 2.43 -0.06 -2.91 114.38 113.90 3gxf h ARG 211 Ca 0.44 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.58 3gxf h ARG 211 Cb 0.56 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.03 3gxf h ARG 211 CO -0.20 0.47 0.65 -0.92 -1.51 0.00 0.00 179.97 178.45 3gxf h TYR 212 N 0.22 1.21 -0.59 2.20 3.20 0.48 0.94 116.97 124.63 3gxf h TYR 212 Ca 0.04 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.00 3gxf h TYR 212 Cb 0.53 -0.40 -0.06 0.00 1.54 0.00 0.00 36.73 38.34 3gxf h TYR 212 CO 0.01 0.69 0.28 0.74 -1.64 0.00 0.00 178.16 178.24 3gxf h PHE 213 N 1.24 0.51 -0.43 -3.82 -1.00 -1.41 0.14 116.94 112.17 3gxf h PHE 213 Ca 0.40 0.02 -0.07 0.00 2.81 0.00 0.00 57.97 61.13 3gxf h PHE 213 Cb 0.02 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.43 3gxf h PHE 213 CO -0.00 0.22 -0.01 0.28 -1.61 0.00 0.00 178.31 177.18 3gxf h VAL 214 N 0.53 1.26 -0.73 -0.55 2.07 -1.00 -1.53 116.25 116.29 3gxf h VAL 214 Ca 0.27 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 3gxf h VAL 214 Cb 0.23 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3gxf h VAL 214 CO -0.21 0.36 0.38 0.11 0.02 0.00 0.00 177.57 178.23 3gxf h LYS 215 N 0.61 1.03 -0.13 1.57 1.79 -0.71 0.41 116.57 121.14 3gxf h LYS 215 Ca 0.12 -0.13 0.05 0.00 -2.18 0.00 0.00 60.65 58.51 3gxf h LYS 215 Cb 0.51 -0.20 -0.06 0.00 -1.58 0.00 0.00 32.23 30.90 3gxf h LYS 215 CO 0.02 0.78 -0.29 0.35 -1.08 0.00 0.00 179.45 179.23 3gxf h PHE 216 N 1.01 -0.80 -0.19 -1.35 3.57 -0.51 0.29 116.94 118.96 3gxf h PHE 216 Ca 0.26 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.68 3gxf h PHE 216 Cb 0.07 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 3gxf h PHE 216 CO 0.00 -0.38 -0.36 -0.07 -2.23 0.00 0.00 178.31 175.28 3gxf h LEU 217 N -0.37 0.43 0.27 0.59 3.38 -0.91 -1.87 115.31 116.84 3gxf h LEU 217 Ca 0.10 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3gxf h LEU 217 Cb 0.52 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3gxf h LEU 217 CO -0.34 0.76 -0.39 0.44 0.09 0.00 0.00 178.44 179.00 3gxf h ASP 218 N 0.35 -1.08 -0.09 -0.43 3.32 -0.83 -1.38 116.42 116.27 3gxf h ASP 218 Ca 0.04 0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.24 3gxf h ASP 218 Cb 0.79 0.38 -0.05 0.00 0.22 0.00 0.00 39.33 40.67 3gxf h ASP 218 CO 0.06 -0.50 -0.25 0.00 -1.72 0.00 0.00 179.24 176.83 3gxf h ALA 219 N -0.26 -0.26 -0.27 3.45 0.00 -0.62 -0.77 119.26 120.53 3gxf h ALA 219 Ca -0.01 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3gxf h ALA 219 Cb 0.68 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3gxf h ALA 219 CO -0.13 -0.72 -0.05 1.88 0.00 0.00 0.00 179.25 180.23 3gxf h TYR 220 N -0.33 0.43 -0.56 0.00 -1.99 -1.39 -2.42 116.97 110.71 3gxf h TYR 220 Ca 0.09 -0.04 -0.07 0.00 2.00 0.00 0.00 58.73 60.71 3gxf h TYR 220 Cb 0.47 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 39.05 3gxf h TYR 220 CO -0.33 0.47 0.10 0.00 -0.00 0.00 0.00 178.16 178.39 3gxf h ALA 221 N 1.56 0.75 -0.05 3.88 0.00 -0.85 -0.13 119.26 124.41 3gxf h ALA 221 Ca 0.09 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3gxf h ALA 221 Cb 0.34 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3gxf h ALA 221 CO 0.01 0.49 0.39 0.93 0.00 0.00 0.00 179.25 181.07 3gxf h GLU 222 N 0.82 0.00 -0.47 0.00 5.08 -0.64 0.31 114.58 119.68 3gxf h GLU 222 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3gxf h GLU 222 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3gxf h GLU 222 CO 0.01 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.74 3gxf n HIS 223 N -2.97 0.98 -3.40 4.33 8.25 -0.33 -4.95 115.22 117.13 3gxf n HIS 223 Ca -0.01 -0.62 -0.20 0.00 -0.26 0.00 0.00 57.72 56.64 3gxf n HIS 223 Cb 0.45 -0.16 0.07 0.00 1.12 0.00 0.00 29.99 31.46 3gxf n HIS 223 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gxf n LYS 224 N 0.63 -6.62 -4.42 -0.41 5.02 0.11 -5.02 118.16 107.45 3gxf n LYS 224 Ca 0.20 0.70 -0.24 0.00 -2.02 0.00 0.00 58.31 56.95 3gxf n LYS 224 Cb 0.71 -5.34 -0.17 0.00 -0.02 0.00 0.00 35.03 30.21 3gxf n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gxf s LEU 225 N -6.28 1.53 -0.04 -0.35 1.43 -0.21 -4.98 118.68 109.78 3gxf s LEU 225 Ca 0.49 -0.27 0.06 0.00 -1.03 0.00 0.00 54.13 53.37 3gxf s LEU 225 Cb -0.21 -0.77 -0.02 0.00 0.03 0.00 0.00 46.19 45.22 3gxf s LEU 225 CO 0.60 -0.00 -0.20 -1.10 0.23 0.00 0.00 176.35 175.88 3gxf s GLN 226 N 0.85 2.32 0.14 1.70 -1.52 -1.26 -2.82 119.66 119.08 3gxf s GLN 226 Ca -0.11 -0.81 -0.10 0.00 -1.95 0.00 0.00 55.36 52.39 3gxf s GLN 226 Cb -0.15 -2.22 -0.06 0.00 -0.22 0.00 0.00 33.01 30.36 3gxf s GLN 226 CO 0.01 0.59 0.47 -0.06 -0.25 0.00 0.00 175.29 176.06 3gxf s PHE 227 N -0.67 3.53 -0.06 0.91 0.40 -1.26 -4.46 117.98 116.37 3gxf s PHE 227 Ca 0.11 0.84 -0.20 0.00 -0.60 0.00 0.00 56.93 57.07 3gxf s PHE 227 Cb -0.10 -2.21 -0.31 0.00 0.51 0.00 0.00 43.02 40.91 3gxf s PHE 227 CO -0.00 0.42 0.82 2.35 0.70 0.00 0.00 175.22 179.51 3gxf h TRP 228 N 3.25 0.54 -2.16 0.36 7.01 -1.22 -3.44 115.95 120.29 3gxf h TRP 228 Ca -0.48 -0.39 -0.06 0.00 2.11 0.00 0.00 58.89 60.07 3gxf h TRP 228 Cb 1.18 -0.02 -0.18 0.00 -2.10 0.00 0.00 29.16 28.04 3gxf h TRP 228 CO 0.64 1.38 0.18 0.00 -2.79 0.00 0.00 178.44 177.85 3gxf s ALA 229 N -2.45 -1.72 0.17 2.65 0.00 -1.11 -1.06 121.76 118.24 3gxf s ALA 229 Ca -0.15 1.18 0.10 0.00 0.00 0.00 0.00 51.96 53.10 3gxf s ALA 229 Cb 0.02 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 3gxf s ALA 229 CO 0.82 -0.42 -0.19 0.14 0.00 0.00 0.00 175.76 176.11 3gxf s VAL 230 N -1.54 2.70 0.22 0.00 -7.23 0.43 -1.87 120.40 113.12 3gxf s VAL 230 Ca -0.09 -1.78 -0.00 0.00 -1.81 0.00 0.00 61.98 58.29 3gxf s VAL 230 Cb -0.00 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 3gxf s VAL 230 CO 0.07 -0.05 0.41 0.42 -0.31 0.00 0.00 175.10 175.64 3gxf s THR 231 N -1.51 5.19 -1.27 5.32 -4.23 0.32 -1.22 115.64 118.23 3gxf s THR 231 Ca 0.21 -0.39 0.13 0.00 -1.18 0.00 0.00 61.69 60.46 3gxf s THR 231 Cb -0.09 -3.75 0.19 0.00 1.34 0.00 0.00 72.50 70.19 3gxf s THR 231 CO 0.11 -0.23 1.38 0.00 -0.54 0.00 0.00 174.62 175.34 3gxf n ALA 232 N -0.83 1.72 0.00 3.99 0.00 -0.28 -4.52 120.51 120.58 3gxf n ALA 232 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3gxf n ALA 232 Cb 0.54 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3gxf n ALA 232 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3gxf n GLU 233 N -1.36 0.00 -2.40 0.00 4.07 -1.26 -4.95 120.64 114.74 3gxf n GLU 233 Ca 0.05 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.73 3gxf n GLU 233 Cb 0.13 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.48 3gxf n GLU 233 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 3gxf s ASN 234 N 0.00 6.97 -0.95 4.31 2.47 0.36 -4.27 114.94 123.83 3gxf s ASN 234 Ca 0.00 1.84 -0.10 0.00 0.42 0.00 0.00 52.86 55.02 3gxf s ASN 234 Cb 0.00 -2.55 -0.00 0.00 -1.45 0.00 0.00 41.25 37.24 3gxf s ASN 234 CO 0.00 -0.67 0.72 -0.62 -3.72 0.00 0.00 177.10 172.81 3gxf n GLU 235 N 5.71 -1.33 0.08 0.43 1.02 -0.36 -4.78 120.64 121.41 3gxf n GLU 235 Ca 0.12 0.81 0.03 0.00 -0.02 0.00 0.00 57.16 58.10 3gxf n GLU 235 Cb 0.45 -4.04 0.42 0.00 -0.02 0.00 0.00 31.44 28.25 3gxf n GLU 235 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3gxf h PRO 236 N -0.85 0.35 -0.71 3.49 0.13 -1.77 -2.56 132.00 130.09 3gxf h PRO 236 Ca -0.49 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.60 3gxf h PRO 236 Cb 1.28 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 3gxf h PRO 236 CO 0.40 0.35 0.47 0.66 -0.23 0.00 0.00 178.00 179.65 3gxf h SER 237 N 0.35 0.80 -0.69 1.44 4.64 -1.86 -2.30 113.55 115.93 3gxf h SER 237 Ca 0.08 -0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.45 3gxf h SER 237 Cb 0.18 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 62.03 3gxf h SER 237 CO -0.00 0.57 0.45 0.00 -0.87 0.00 0.00 176.83 176.98 3gxf h ALA 238 N 1.57 1.72 0.00 5.18 0.00 -1.80 -2.27 119.26 123.66 3gxf h ALA 238 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3gxf h ALA 238 Cb -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3gxf h ALA 238 CO -0.06 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.77 3gxf n GLY 239 N -1.46 -0.16 0.01 0.00 0.00 -1.02 -1.99 105.19 100.57 3gxf n GLY 239 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3gxf n GLY 239 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gxf n LEU 240 N -0.37 1.03 -4.56 0.99 4.77 -0.85 -1.66 117.00 116.35 3gxf n LEU 240 Ca 0.00 -1.00 -0.35 0.00 -0.03 0.00 0.00 56.01 54.62 3gxf n LEU 240 Cb 0.01 -0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.99 3gxf n LEU 240 CO 0.00 0.25 -0.26 -0.76 -1.33 0.00 0.00 177.39 175.29 3gxf s LEU 241 N -0.03 3.68 0.00 2.23 1.43 -0.84 -4.90 118.68 120.25 3gxf s LEU 241 Ca 0.00 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 3gxf s LEU 241 Cb 0.00 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.27 3gxf s LEU 241 CO 0.00 0.09 0.00 -1.20 0.23 0.00 0.00 176.35 175.48 3gxf n SER 242 N 4.07 0.00 -3.50 2.29 7.64 -1.26 -2.07 113.62 120.79 3gxf n SER 242 Ca -0.16 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.44 3gxf n SER 242 Cb 0.52 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.61 3gxf n SER 242 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3gxf s GLY 243 N 0.00 1.45 0.11 0.23 0.00 -1.26 -3.57 107.32 104.28 3gxf s GLY 243 Ca 0.00 -2.60 -0.31 0.00 0.00 0.00 0.00 44.72 41.81 3gxf s GLY 243 CO 0.00 1.92 1.76 -0.47 0.00 0.00 0.00 173.10 176.31 3gxf s TYR 244 N -0.02 2.31 0.37 1.90 5.04 -0.88 -4.59 117.35 121.48 3gxf s TYR 244 Ca 0.29 0.13 0.06 0.00 -2.44 0.00 0.00 57.07 55.11 3gxf s TYR 244 Cb -0.03 -4.10 0.76 0.00 0.35 0.00 0.00 41.96 38.95 3gxf s TYR 244 CO -0.15 -4.46 1.99 -1.00 -1.34 0.00 0.00 175.55 170.59 3gxf h PRO 245 N 8.36 0.69 -5.96 4.97 0.13 -1.96 0.57 132.00 138.80 3gxf h PRO 245 Ca -0.45 -0.04 -0.56 0.00 -0.87 0.00 0.00 66.00 64.09 3gxf h PRO 245 Cb 1.21 -0.16 -0.06 0.00 0.13 0.00 0.00 31.00 32.13 3gxf h PRO 245 CO 0.94 0.46 -0.39 -0.59 -0.23 0.00 0.00 178.00 178.19 3gxf s PHE 246 N -5.63 2.23 -0.09 1.56 -0.12 -1.26 -4.80 117.98 109.87 3gxf s PHE 246 Ca -0.09 -0.67 -0.40 0.00 -0.05 0.00 0.00 56.93 55.72 3gxf s PHE 246 Cb 0.19 -1.99 -0.18 0.00 -0.63 0.00 0.00 43.02 40.41 3gxf s PHE 246 CO 0.76 -0.15 1.38 1.04 -0.05 0.00 0.00 175.22 178.20 3gxf n GLN 247 N -1.53 0.66 -3.80 1.99 3.00 -1.26 -4.31 117.38 112.14 3gxf n GLN 247 Ca -0.01 0.24 -0.09 0.00 -0.01 0.00 0.00 57.00 57.14 3gxf n GLN 247 Cb 0.64 -1.83 -0.03 0.00 0.00 0.00 0.00 30.24 29.02 3gxf n GLN 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gxf s LEU 249 N -2.90 -0.77 0.02 0.00 2.96 -1.10 -4.31 118.68 112.58 3gxf s LEU 249 Ca 0.11 0.83 -0.22 0.00 -0.22 0.00 0.00 54.13 54.63 3gxf s LEU 249 Cb -0.03 1.46 -0.05 0.00 0.50 0.00 0.00 46.19 48.07 3gxf s LEU 249 CO 0.02 -0.25 0.67 -0.83 -1.32 0.00 0.00 176.35 174.64 3gxf s GLY 250 N 2.65 2.69 -0.01 7.98 0.00 -0.34 -4.31 107.32 115.98 3gxf s GLY 250 Ca 0.04 0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.92 3gxf s GLY 250 CO -0.15 0.89 -0.06 -1.36 0.00 0.00 0.00 173.10 172.42 3gxf s PHE 251 N -0.18 0.55 0.57 1.90 0.40 -0.89 -4.44 117.98 115.89 3gxf s PHE 251 Ca 0.34 -0.11 -0.11 0.00 -0.60 0.00 0.00 56.93 56.46 3gxf s PHE 251 Cb -0.19 -0.37 -0.05 0.00 0.51 0.00 0.00 43.02 42.92 3gxf s PHE 251 CO 0.20 -0.03 0.96 0.95 0.70 0.00 0.00 175.22 178.00 3gxf s THR 252 N -0.03 4.73 0.47 0.64 -4.23 -1.26 -4.12 115.64 111.84 3gxf s THR 252 Ca 0.01 0.78 0.20 0.00 -1.18 0.00 0.00 61.69 61.50 3gxf s THR 252 Cb -0.04 -3.84 0.38 0.00 1.34 0.00 0.00 72.50 70.35 3gxf s THR 252 CO -0.00 -0.99 1.93 1.55 -0.54 0.00 0.00 174.62 176.57 3gxf h PRO 253 N 0.04 0.24 -0.26 3.99 0.13 -1.98 -0.54 132.00 133.62 3gxf h PRO 253 Ca -0.45 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 3gxf h PRO 253 Cb 1.19 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 3gxf h PRO 253 CO 0.62 0.16 0.04 0.93 -0.23 0.00 0.00 178.00 179.52 3gxf h GLU 254 N 0.25 0.44 -0.24 0.86 3.07 -1.93 -1.95 114.58 115.08 3gxf h GLU 254 Ca 0.35 -0.12 -0.07 0.00 -0.50 0.00 0.00 59.36 59.02 3gxf h GLU 254 Cb 1.01 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.86 3gxf h GLU 254 CO -0.08 0.57 -0.16 1.25 -1.40 0.00 0.00 179.01 179.18 3gxf h HIS 255 N 0.25 0.44 -0.10 4.33 2.76 -1.51 -0.99 115.15 120.33 3gxf h HIS 255 Ca 0.08 -0.07 -0.03 0.00 -2.20 0.00 0.00 60.37 58.15 3gxf h HIS 255 Cb 0.34 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.18 3gxf h HIS 255 CO 0.02 0.56 -0.06 0.37 -1.30 0.00 0.00 177.93 177.53 3gxf h GLN 256 N 0.38 0.22 -0.54 5.26 4.15 -1.14 0.39 115.11 123.83 3gxf h GLN 256 Ca 0.07 -0.10 0.11 0.00 0.77 0.00 0.00 58.65 59.50 3gxf h GLN 256 Cb 0.51 -0.01 -0.11 0.00 0.21 0.00 0.00 27.48 28.09 3gxf h GLN 256 CO 0.03 0.58 -0.21 -0.09 -1.93 0.00 0.00 178.83 177.22 3gxf h ARG 257 N -0.15 -0.07 -0.21 1.69 2.43 -1.17 0.47 114.38 117.37 3gxf h ARG 257 Ca 0.02 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 3gxf h ARG 257 Cb 0.52 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3gxf h ARG 257 CO 0.02 -0.05 -0.27 -0.44 -1.51 0.00 0.00 179.97 177.72 3gxf h ASP 258 N -0.08 0.59 -0.50 -3.80 3.32 -1.04 -0.29 116.42 114.62 3gxf h ASP 258 Ca 0.25 -0.50 0.08 0.00 0.02 0.00 0.00 57.03 56.88 3gxf h ASP 258 Cb 0.47 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.79 3gxf h ASP 258 CO -0.60 0.98 0.14 0.15 -1.72 0.00 0.00 179.24 178.19 3gxf h PHE 259 N 0.22 0.23 0.28 4.55 3.57 -0.73 0.36 116.94 125.42 3gxf h PHE 259 Ca 0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3gxf h PHE 259 Cb 0.83 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 3gxf h PHE 259 CO 0.08 0.04 -0.20 0.82 -2.23 0.00 0.00 178.31 176.83 3gxf h ILE 260 N 0.29 0.58 0.46 1.41 2.04 0.09 0.26 117.51 122.65 3gxf h ILE 260 Ca 0.25 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.09 3gxf h ILE 260 Cb 0.31 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3gxf h ILE 260 CO -0.29 0.00 -0.22 0.00 0.00 0.00 0.00 178.15 177.64 3gxf h ALA 261 N 0.21 -0.62 0.02 1.87 0.00 -0.73 -0.39 119.26 119.62 3gxf h ALA 261 Ca -0.02 -0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 3gxf h ALA 261 Cb 0.41 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3gxf h ALA 261 CO 0.01 -0.84 -0.99 0.00 0.00 0.00 0.00 179.25 177.43 3gxf h ARG 262 N -0.64 0.39 0.00 0.00 2.47 -0.36 -3.39 114.38 112.84 3gxf h ARG 262 Ca -0.06 -0.45 0.00 0.00 -1.26 0.00 0.00 59.98 58.21 3gxf h ARG 262 Cb 0.49 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 3gxf h ARG 262 CO 0.10 1.12 0.00 -0.25 0.56 0.00 0.00 179.97 181.51 3gxf n ASP 263 N -3.71 0.71 -0.08 7.04 8.00 0.13 -4.67 116.55 123.97 3gxf n ASP 263 Ca -0.07 0.21 -0.14 0.00 0.71 0.00 0.00 54.79 55.50 3gxf n ASP 263 Cb 0.86 -0.13 -0.05 0.00 -0.02 0.00 0.00 41.12 41.78 3gxf n ASP 263 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3gxf h LEU 264 N 0.00 0.70 0.76 0.64 5.85 -0.62 -0.85 115.31 121.79 3gxf h LEU 264 Ca 0.00 -0.50 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 3gxf h LEU 264 Cb 0.00 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 40.84 3gxf h LEU 264 CO 0.00 1.07 -0.36 1.23 -0.34 0.00 0.00 178.44 180.03 3gxf h GLY 265 N 0.36 -1.06 -0.64 3.75 0.00 -1.26 -1.79 103.07 102.43 3gxf h GLY 265 Ca 0.03 0.39 0.13 0.00 0.00 0.00 0.00 47.33 47.88 3gxf h GLY 265 CO 0.08 -0.39 -0.34 -2.55 0.00 0.00 0.00 176.54 173.34 3gxf h PRO 266 N -1.11 -0.09 -0.26 4.80 0.11 -1.72 0.11 132.00 133.84 3gxf h PRO 266 Ca -0.10 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.05 3gxf h PRO 266 Cb 0.78 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 3gxf h PRO 266 CO 0.17 -0.06 0.06 1.15 -0.21 0.00 0.00 178.00 179.11 3gxf h THR 267 N -0.09 0.89 -0.34 -1.15 2.02 -1.21 -1.46 112.91 111.57 3gxf h THR 267 Ca 0.29 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.39 3gxf h THR 267 Cb 0.57 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 3gxf h THR 267 CO -0.80 0.03 0.12 -0.07 0.37 0.00 0.00 175.52 175.17 3gxf h LEU 268 N 0.16 0.47 -1.18 2.58 3.38 -0.90 -3.04 115.31 116.78 3gxf h LEU 268 Ca 0.12 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3gxf h LEU 268 Cb 0.11 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3gxf h LEU 268 CO -0.15 0.53 0.22 0.00 0.09 0.00 0.00 178.44 179.12 3gxf h ALA 269 N 0.97 1.36 0.00 1.53 0.00 -0.69 -1.56 119.26 120.86 3gxf h ALA 269 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gxf h ALA 269 Cb 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3gxf h ALA 269 CO -0.01 0.48 0.00 -1.71 0.00 0.00 0.00 179.25 178.02 3gxf n ASN 270 N -4.34 0.00 -4.68 0.00 5.15 -0.56 -4.74 115.26 106.10 3gxf n ASN 270 Ca 0.04 -0.03 -0.29 0.00 -0.60 0.00 0.00 54.58 53.70 3gxf n ASN 270 Cb 0.16 -0.18 -0.09 0.00 -0.53 0.00 0.00 39.78 39.14 3gxf n ASN 270 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3gxf s SER 271 N -2.35 4.03 0.52 1.20 1.04 -0.59 -5.02 113.70 112.53 3gxf s SER 271 Ca 0.12 -1.39 0.25 0.00 0.48 0.00 0.00 55.95 55.40 3gxf s SER 271 Cb 0.07 -0.18 1.41 0.00 0.10 0.00 0.00 66.02 67.42 3gxf s SER 271 CO 0.14 -0.57 2.09 0.71 0.98 0.00 0.00 173.24 176.58 3gxf h THR 272 N 1.60 0.69 -0.10 2.02 1.35 -1.89 -2.55 112.91 114.04 3gxf h THR 272 Ca -0.44 -0.46 -0.03 0.00 -0.55 0.00 0.00 66.41 64.94 3gxf h THR 272 Cb 1.26 1.28 -0.02 0.00 -1.73 0.00 0.00 68.15 68.95 3gxf h THR 272 CO 0.77 0.11 0.03 1.41 -0.25 0.00 0.00 175.52 177.60 3gxf n HIS 273 N -3.84 0.32 0.22 4.73 8.25 -1.26 -4.34 115.22 119.31 3gxf n HIS 273 Ca -0.02 -0.32 0.07 0.00 -0.26 0.00 0.00 57.72 57.18 3gxf n HIS 273 Cb 0.21 -0.23 0.52 0.00 1.12 0.00 0.00 29.99 31.62 3gxf n HIS 273 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 3gxf h HIS 274 N 0.36 0.00 0.00 4.41 -0.00 -1.52 -1.70 115.15 116.70 3gxf h HIS 274 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3gxf h HIS 274 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.32 3gxf h HIS 274 CO 0.17 0.22 0.00 0.09 -0.00 0.00 0.00 177.93 178.41 3gxf n ASN 275 N -4.05 0.00 -4.71 3.10 3.02 -1.26 -4.79 115.26 106.57 3gxf n ASN 275 Ca -0.02 0.17 -0.42 0.00 -0.03 0.00 0.00 54.58 54.28 3gxf n ASN 275 Cb 0.29 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.10 3gxf n ASN 275 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gxf s VAL 276 N -2.66 4.34 0.41 2.41 1.01 -0.64 -4.95 120.40 120.31 3gxf s VAL 276 Ca 0.12 1.67 -0.23 0.00 0.00 0.00 0.00 61.98 63.54 3gxf s VAL 276 Cb 0.09 -4.07 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 3gxf s VAL 276 CO 0.22 0.10 0.99 -0.13 0.00 0.00 0.00 175.10 176.29 3gxf s ARG 277 N 1.27 4.21 -0.20 2.72 1.81 -0.22 -4.87 118.95 123.68 3gxf s ARG 277 Ca 0.56 1.31 -0.05 0.00 -1.72 0.00 0.00 55.73 55.83 3gxf s ARG 277 Cb -0.26 -2.39 -0.03 0.00 -0.45 0.00 0.00 34.95 31.82 3gxf s ARG 277 CO 0.27 -0.07 0.00 -1.17 -0.68 0.00 0.00 175.30 173.66 3gxf s LEU 278 N -2.85 3.28 -0.10 2.53 2.96 -1.26 -0.43 118.68 122.81 3gxf s LEU 278 Ca 0.59 -0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 54.31 3gxf s LEU 278 Cb -0.16 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 3gxf s LEU 278 CO 0.20 0.08 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.51 3gxf s LEU 279 N 0.92 3.31 0.00 -0.68 1.43 -0.36 -0.94 118.68 122.37 3gxf s LEU 279 Ca 0.01 -0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.17 3gxf s LEU 279 Cb -0.14 -1.75 0.07 0.00 0.03 0.00 0.00 46.19 44.39 3gxf s LEU 279 CO 0.02 0.31 0.57 1.15 0.23 0.00 0.00 176.35 178.62 3gxf n MET 280 N 2.61 0.71 0.00 1.70 0.00 -0.77 -1.13 117.12 120.23 3gxf n MET 280 Ca -0.18 -2.77 0.00 0.00 0.00 0.00 0.00 57.70 54.75 3gxf n MET 280 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 33.22 33.73 3gxf n MET 280 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 3gxf n LEU 281 N 0.00 0.00 -3.53 3.17 7.94 -1.26 -1.67 117.00 121.64 3gxf n LEU 281 Ca 0.08 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.79 3gxf n LEU 281 Cb 0.52 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.53 3gxf n LEU 281 CO 0.33 0.00 0.01 -0.67 -1.11 0.00 0.00 177.39 175.95 3gxf n ASP 282 N 3.45 -2.49 -3.09 1.96 2.03 0.36 -4.37 116.55 114.40 3gxf n ASP 282 Ca 0.00 -0.74 -0.10 0.00 0.52 0.00 0.00 54.79 54.47 3gxf n ASP 282 Cb 0.00 -4.58 0.00 0.00 -0.72 0.00 0.00 41.12 35.82 3gxf n ASP 282 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3gxf s ASP 283 N -4.18 0.23 0.37 1.67 -1.08 -1.20 -1.23 116.67 111.26 3gxf s ASP 283 Ca 0.09 -1.20 -0.26 0.00 -0.52 0.00 0.00 52.55 50.66 3gxf s ASP 283 Cb -0.02 0.79 -0.11 0.00 -1.46 0.00 0.00 42.92 42.12 3gxf s ASP 283 CO 0.77 -1.56 1.19 0.00 0.52 0.00 0.00 175.17 176.10 3gxf n GLN 284 N -0.53 1.81 0.05 4.34 1.13 -1.26 -0.66 117.38 122.25 3gxf n GLN 284 Ca -0.06 0.64 0.08 0.00 -1.94 0.00 0.00 57.00 55.73 3gxf n GLN 284 Cb 0.60 -2.22 0.36 0.00 0.11 0.00 0.00 30.24 29.09 3gxf n GLN 284 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 3gxf n ARG 285 N 0.34 0.07 0.26 -1.09 1.85 -1.25 -2.72 116.66 114.12 3gxf n ARG 285 Ca 0.07 0.33 0.18 0.00 -1.00 0.00 0.00 57.85 57.43 3gxf n ARG 285 Cb 0.37 -1.63 0.87 0.00 -1.05 0.00 0.00 32.46 31.02 3gxf n ARG 285 CO 0.00 0.00 0.00 1.37 -0.01 0.00 0.00 177.63 178.99 3gxf h LEU 286 N 0.00 0.00 -0.24 2.89 8.10 -1.93 -0.71 115.31 123.41 3gxf h LEU 286 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 3gxf h LEU 286 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.48 3gxf h LEU 286 CO 0.00 0.00 -0.05 0.18 -4.11 0.00 0.00 178.44 174.46 3gxf n LEU 287 N -3.27 0.42 -4.80 0.17 4.77 -1.10 -4.80 117.00 108.39 3gxf n LEU 287 Ca 0.00 -0.04 -0.29 0.00 -0.03 0.00 0.00 56.01 55.66 3gxf n LEU 287 Cb 0.36 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 3gxf n LEU 287 CO 0.20 0.07 -0.23 -0.76 -1.33 0.00 0.00 177.39 175.34 3gxf s LEU 288 N -2.27 3.86 0.53 2.23 1.43 -0.28 -0.97 118.68 123.21 3gxf s LEU 288 Ca 0.36 -0.03 0.33 0.00 -1.03 0.00 0.00 54.13 53.76 3gxf s LEU 288 Cb 0.21 -2.50 1.34 0.00 0.03 0.00 0.00 46.19 45.27 3gxf s LEU 288 CO 0.42 0.13 1.96 1.55 0.23 0.00 0.00 176.35 180.64 3gxf h PRO 289 N 2.93 0.00 -0.75 1.29 0.13 -1.76 -3.41 132.00 130.42 3gxf h PRO 289 Ca -0.47 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.80 3gxf h PRO 289 Cb 1.18 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 3gxf h PRO 289 CO 0.66 0.00 -0.27 1.25 -0.23 0.00 0.00 178.00 179.41 3gxf h HIS 290 N 0.00 -0.68 -0.91 1.56 2.76 -1.92 -0.34 115.15 115.62 3gxf h HIS 290 Ca 0.00 0.08 0.06 0.00 -2.20 0.00 0.00 60.37 58.31 3gxf h HIS 290 Cb 0.50 0.41 -0.06 0.00 1.55 0.00 0.00 27.41 29.81 3gxf h HIS 290 CO 0.00 -0.36 0.59 -1.49 -1.30 0.00 0.00 177.93 175.37 3gxf h TRP 291 N -0.05 1.06 -0.23 5.26 4.06 -1.41 0.09 115.95 124.72 3gxf h TRP 291 Ca 0.33 0.03 -0.17 0.00 2.06 0.00 0.00 58.89 61.14 3gxf h TRP 291 Cb 0.57 -0.35 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 3gxf h TRP 291 CO -0.66 0.56 -0.50 0.00 -3.56 0.00 0.00 178.44 174.27 3gxf h ALA 292 N 1.50 0.37 -0.46 1.49 0.00 -1.37 -1.61 119.26 119.18 3gxf h ALA 292 Ca 0.39 -0.50 0.07 0.00 0.00 0.00 0.00 54.91 54.87 3gxf h ALA 292 Cb 0.18 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3gxf h ALA 292 CO -0.14 0.55 0.13 0.87 0.00 0.00 0.00 179.25 180.66 3gxf h LYS 293 N 0.47 0.28 0.25 0.00 1.57 -0.66 0.52 116.57 118.99 3gxf h LYS 293 Ca 0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3gxf h LYS 293 Cb 1.11 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.36 3gxf h LYS 293 CO 0.11 0.18 -0.12 0.28 -0.57 0.00 0.00 179.45 179.34 3gxf h VAL 294 N 0.29 0.79 -0.08 0.50 2.07 -0.86 -3.17 116.25 115.79 3gxf h VAL 294 Ca 0.23 -0.24 -0.13 0.00 0.82 0.00 0.00 66.70 67.37 3gxf h VAL 294 Cb 0.26 0.94 0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3gxf h VAL 294 CO -0.26 0.05 -0.45 0.58 0.02 0.00 0.00 177.57 177.52 3gxf h VAL 295 N -0.46 1.40 0.00 2.57 2.07 -1.12 -3.38 116.25 117.32 3gxf h VAL 295 Ca -0.03 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.66 3gxf h VAL 295 Cb 0.35 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 3gxf h VAL 295 CO 0.06 0.54 -0.47 -0.07 0.02 0.00 0.00 177.57 177.65 3gxf h LEU 296 N -0.01 0.00 -0.18 2.57 3.38 -1.02 -3.03 115.31 117.03 3gxf h LEU 296 Ca -0.03 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3gxf h LEU 296 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3gxf h LEU 296 CO 0.09 0.06 -0.00 0.35 0.09 0.00 0.00 178.44 179.03 3gxf n THR 297 N -2.32 0.00 -3.43 0.22 -2.24 -1.20 -4.60 114.28 100.71 3gxf n THR 297 Ca 0.03 -0.05 -0.44 0.00 -2.27 0.00 0.00 64.05 61.33 3gxf n THR 297 Cb 0.46 -0.31 -0.09 0.00 -2.10 0.00 0.00 70.33 68.29 3gxf n THR 297 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gxf s ASP 298 N -2.02 6.10 0.44 3.42 -1.08 -1.14 -4.96 116.67 117.43 3gxf s ASP 298 Ca 0.46 -1.15 0.12 0.00 -0.52 0.00 0.00 52.55 51.45 3gxf s ASP 298 Cb 0.22 -2.16 1.00 0.00 -1.46 0.00 0.00 42.92 40.52 3gxf s ASP 298 CO 0.37 -0.56 2.04 -0.65 0.52 0.00 0.00 175.17 176.89 3gxf h PRO 299 N 8.68 0.39 -0.32 4.34 0.11 -1.86 0.20 132.00 143.53 3gxf h PRO 299 Ca -0.28 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 3gxf h PRO 299 Cb 1.11 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3gxf h PRO 299 CO 0.81 0.26 0.04 1.49 -0.21 0.00 0.00 178.00 180.38 3gxf h GLU 300 N 0.40 0.48 0.00 1.05 4.57 -1.93 -2.65 114.58 116.50 3gxf h GLU 300 Ca 0.18 -0.08 -0.11 0.00 -1.18 0.00 0.00 59.36 58.17 3gxf h GLU 300 Cb 0.21 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 3gxf h GLU 300 CO -0.04 0.48 -0.62 0.00 -1.18 0.00 0.00 179.01 177.64 3gxf h ALA 301 N 1.58 0.12 -0.46 2.92 0.00 -1.52 -3.39 119.26 118.51 3gxf h ALA 301 Ca 0.11 -0.80 0.03 0.00 0.00 0.00 0.00 54.91 54.25 3gxf h ALA 301 Cb 0.24 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3gxf h ALA 301 CO 0.00 0.36 0.31 0.00 0.00 0.00 0.00 179.25 179.92 3gxf h ALA 302 N -0.36 1.78 0.00 0.00 0.00 -0.66 -1.54 119.26 118.48 3gxf h ALA 302 Ca -0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3gxf h ALA 302 Cb 1.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3gxf h ALA 302 CO -0.10 0.16 0.00 0.36 0.00 0.00 0.00 179.25 179.68 3gxf n LYS 303 N -4.48 0.11 -0.00 0.00 2.85 -1.00 -2.44 118.16 113.20 3gxf n LYS 303 Ca 0.05 0.60 0.06 0.00 -1.05 0.00 0.00 58.31 57.96 3gxf n LYS 303 Cb 0.14 -1.85 -0.07 0.00 -0.65 0.00 0.00 35.03 32.59 3gxf n LYS 303 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3gxf n TYR 304 N -2.09 0.00 -3.21 5.58 0.53 -0.58 -4.96 117.16 112.44 3gxf n TYR 304 Ca -0.01 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.47 3gxf n TYR 304 Cb 0.03 -0.07 -0.07 0.00 -1.03 0.00 0.00 39.34 38.20 3gxf n TYR 304 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 3gxf s VAL 305 N -2.28 5.06 -0.10 -0.72 1.01 -1.02 -4.33 120.40 118.01 3gxf s VAL 305 Ca 0.02 0.94 0.16 0.00 0.00 0.00 0.00 61.98 63.10 3gxf s VAL 305 Cb 0.08 -3.85 -0.19 0.00 0.00 0.00 0.00 36.38 32.42 3gxf s VAL 305 CO 0.47 0.08 0.64 1.57 0.00 0.00 0.00 175.10 177.87 3gxf n HIS 306 N 5.49 0.80 -3.48 5.22 -0.00 -0.11 -4.97 115.22 118.17 3gxf n HIS 306 Ca -0.03 0.28 -0.03 0.00 0.46 0.00 0.00 57.72 58.39 3gxf n HIS 306 Cb 0.50 -1.08 0.01 0.00 -0.12 0.00 0.00 29.99 29.30 3gxf n HIS 306 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3gxf n GLY 307 N 1.50 1.32 3.14 1.57 0.00 -1.18 -3.35 105.19 108.17 3gxf n GLY 307 Ca -0.15 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 3gxf n GLY 307 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gxf s ILE 308 N -2.48 1.99 -0.12 -0.61 1.01 0.01 -1.86 121.20 119.15 3gxf s ILE 308 Ca 0.09 -0.92 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 3gxf s ILE 308 Cb -0.02 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.62 3gxf s ILE 308 CO 0.05 0.53 0.28 0.00 0.00 0.00 0.00 174.94 175.80 3gxf s ALA 309 N 0.99 3.68 0.08 9.38 0.00 -0.67 -1.12 121.76 134.10 3gxf s ALA 309 Ca -0.03 -0.45 0.07 0.00 0.00 0.00 0.00 51.96 51.55 3gxf s ALA 309 Cb -0.15 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.65 3gxf s ALA 309 CO -0.05 0.28 -0.19 0.14 0.00 0.00 0.00 175.76 175.94 3gxf s VAL 310 N -0.17 1.56 0.07 0.00 -7.23 0.11 -0.49 120.40 114.25 3gxf s VAL 310 Ca 0.17 -1.39 0.02 0.00 -1.81 0.00 0.00 61.98 58.97 3gxf s VAL 310 Cb -0.13 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.35 3gxf s VAL 310 CO 0.06 -0.03 0.12 -1.00 -0.31 0.00 0.00 175.10 173.94 3gxf s HIS 311 N -1.08 3.30 -0.07 2.82 3.76 0.17 -0.90 115.29 123.29 3gxf s HIS 311 Ca 0.05 0.14 -0.09 0.00 -0.15 0.00 0.00 55.06 55.00 3gxf s HIS 311 Cb -0.10 -1.67 -0.03 0.00 1.11 0.00 0.00 32.58 31.89 3gxf s HIS 311 CO 0.03 0.55 -0.18 0.91 -0.85 0.00 0.00 174.74 175.19 3gxf n TRP 312 N 0.44 0.00 -3.89 1.40 7.02 -0.25 -3.75 117.44 118.40 3gxf n TRP 312 Ca -0.08 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.13 3gxf n TRP 312 Cb 0.51 -0.26 0.01 0.00 -2.42 0.00 0.00 31.31 29.15 3gxf n TRP 312 CO 0.00 0.00 0.00 0.98 -2.02 0.00 0.00 177.69 176.65 3gxf n TYR 313 N -3.74 -0.85 0.00 -5.99 9.36 -1.26 -4.37 117.16 110.32 3gxf n TYR 313 Ca -0.07 0.07 0.00 0.00 3.32 0.00 0.00 57.90 61.21 3gxf n TYR 313 Cb 0.27 -1.65 0.00 0.00 -0.63 0.00 0.00 39.34 37.34 3gxf n TYR 313 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 3gxf n LEU 314 N -3.29 0.00 0.04 2.98 -0.00 -1.26 -4.34 117.00 111.13 3gxf n LEU 314 Ca -0.08 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.05 3gxf n LEU 314 Cb 0.34 0.00 0.19 0.00 -0.00 0.00 0.00 43.42 43.96 3gxf n LEU 314 CO 0.44 0.00 0.37 0.47 -0.00 0.00 0.00 177.39 178.67 3gxf n ASP 315 N 0.00 0.62 0.00 1.96 8.00 -1.21 -4.88 116.55 121.04 3gxf n ASP 315 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.51 3gxf n ASP 315 Cb 0.00 0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 3gxf n ASP 315 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3gxf n PHE 316 N -1.92 0.00 -0.82 1.24 0.99 -1.26 -5.07 117.46 110.63 3gxf n PHE 316 Ca 0.04 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.19 3gxf n PHE 316 Cb 0.41 0.00 0.03 0.00 -1.00 0.00 0.00 39.48 38.92 3gxf n PHE 316 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.76 178.23 3gxf n LEU 317 N 0.00 -4.20 -3.91 4.37 -0.00 -1.26 -4.99 117.00 107.00 3gxf n LEU 317 Ca 0.00 0.10 -0.35 0.00 -0.00 0.00 0.00 56.01 55.76 3gxf n LEU 317 Cb 0.00 -0.56 0.04 0.00 -0.00 0.00 0.00 43.42 42.90 3gxf n LEU 317 CO 0.00 -4.08 -1.30 0.00 -0.00 0.00 0.00 177.39 172.01 3gxf n ALA 318 N -2.28 -5.42 -1.64 1.47 0.00 -1.26 -4.98 120.51 106.40 3gxf n ALA 318 Ca -0.02 -0.67 -0.39 0.00 0.00 0.00 0.00 53.44 52.37 3gxf n ALA 318 Cb 0.51 -1.12 0.03 0.00 0.00 0.00 0.00 19.45 18.87 3gxf n ALA 318 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3gxf n PRO 319 N 2.43 1.28 -0.01 0.00 -0.04 -1.26 -4.98 135.00 132.42 3gxf n PRO 319 Ca -0.02 0.47 -0.16 0.00 -0.04 0.00 0.00 63.50 63.75 3gxf n PRO 319 Cb 0.55 -2.22 -0.11 0.00 -0.04 0.00 0.00 33.50 31.68 3gxf n PRO 319 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gxf h ALA 320 N 1.14 0.09 -0.46 0.55 0.00 -1.98 -3.22 119.26 115.38 3gxf h ALA 320 Ca -0.48 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 53.94 3gxf h ALA 320 Cb 1.34 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 3gxf h ALA 320 CO 0.55 0.27 0.27 -0.22 0.00 0.00 0.00 179.25 180.11 3gxf h LYS 321 N -0.18 0.52 0.00 0.00 3.64 -1.95 0.13 116.57 118.74 3gxf h LYS 321 Ca -0.05 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 3gxf h LYS 321 Cb 1.17 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 3gxf h LYS 321 CO 0.09 0.35 -0.32 0.00 -2.27 0.00 0.00 179.45 177.30 3gxf h ALA 322 N 1.21 1.17 -0.73 5.00 0.00 -1.95 0.19 119.26 124.14 3gxf h ALA 322 Ca 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3gxf h ALA 322 Cb 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3gxf h ALA 322 CO -0.09 0.40 0.00 0.25 0.00 0.00 0.00 179.25 179.82 3gxf n THR 323 N -3.73 0.00 0.03 0.00 -2.24 -0.92 -4.35 114.28 103.07 3gxf n THR 323 Ca -0.01 0.33 -0.12 0.00 -2.27 0.00 0.00 64.05 61.98 3gxf n THR 323 Cb 0.42 -1.32 -0.08 0.00 -2.10 0.00 0.00 70.33 67.26 3gxf n THR 323 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3gxf h LEU 324 N 0.00 0.00 -0.60 3.22 3.38 -0.96 -1.64 115.31 118.71 3gxf h LEU 324 Ca 0.00 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 3gxf h LEU 324 Cb 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3gxf h LEU 324 CO 0.00 0.09 -0.19 1.23 0.09 0.00 0.00 178.44 179.67 3gxf h GLY 325 N -0.09 1.00 1.18 0.83 0.00 -1.05 -1.76 103.07 103.18 3gxf h GLY 325 Ca 0.00 -0.84 -0.20 0.00 0.00 0.00 0.00 47.33 46.29 3gxf h GLY 325 CO -0.00 0.77 -0.64 -2.09 0.00 0.00 0.00 176.54 174.58 3gxf h GLU 326 N 0.80 0.83 -0.64 4.80 4.57 -0.65 -0.63 114.58 123.66 3gxf h GLU 326 Ca 0.11 -0.59 0.01 0.00 -1.18 0.00 0.00 59.36 57.72 3gxf h GLU 326 Cb 0.73 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.38 3gxf h GLU 326 CO 0.06 1.21 0.42 1.15 -1.18 0.00 0.00 179.01 180.67 3gxf h THR 327 N 0.61 1.15 -0.48 0.32 2.02 -1.23 -2.15 112.91 113.15 3gxf h THR 327 Ca -0.01 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 3gxf h THR 327 Cb 1.25 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 3gxf h THR 327 CO 0.14 0.16 0.20 -0.74 0.37 0.00 0.00 175.52 175.64 3gxf h HIS 328 N 0.85 0.72 -0.72 3.16 -0.00 -1.11 -0.57 115.15 117.49 3gxf h HIS 328 Ca 0.24 -0.05 0.15 0.00 -0.00 0.00 0.00 60.37 60.71 3gxf h HIS 328 Cb -0.08 -0.22 -0.11 0.00 -0.00 0.00 0.00 27.41 27.01 3gxf h HIS 328 CO -0.03 0.60 0.18 -0.09 -0.00 0.00 0.00 177.93 178.58 3gxf h ARG 329 N 0.63 0.27 0.02 5.26 2.43 -0.71 -1.36 114.38 120.92 3gxf h ARG 329 Ca 0.16 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 59.09 3gxf h ARG 329 Cb 0.18 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 3gxf h ARG 329 CO -0.01 0.18 -1.08 -0.07 -1.51 0.00 0.00 179.97 177.47 3gxf h LEU 330 N 0.28 0.07 -6.13 3.80 3.38 -1.08 -3.38 115.31 112.25 3gxf h LEU 330 Ca 0.40 -0.08 -0.57 0.00 0.09 0.00 0.00 57.88 57.72 3gxf h LEU 330 Cb 0.67 -0.02 -0.39 0.00 0.09 0.00 0.00 40.66 41.00 3gxf h LEU 330 CO -0.49 1.06 -1.00 0.49 0.09 0.00 0.00 178.44 178.59 3gxf n PHE 331 N -3.36 0.19 0.28 1.13 3.01 -0.25 -4.99 117.46 113.47 3gxf n PHE 331 Ca -0.02 -3.62 0.18 0.00 1.01 0.00 0.00 57.45 54.99 3gxf n PHE 331 Cb 0.96 -0.28 0.72 0.00 -0.01 0.00 0.00 39.48 40.88 3gxf n PHE 331 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3gxf h PRO 332 N 4.36 0.00 -0.56 -1.08 0.13 -1.43 -2.98 132.00 130.44 3gxf h PRO 332 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3gxf h PRO 332 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3gxf h PRO 332 CO 0.50 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.37 3gxf n ASN 333 N -3.10 3.18 -4.29 1.44 3.02 -1.26 -4.83 115.26 109.41 3gxf n ASN 333 Ca 0.00 -1.99 -0.36 0.00 -0.03 0.00 0.00 54.58 52.21 3gxf n ASN 333 Cb 0.29 -0.37 -0.13 0.00 -0.61 0.00 0.00 39.78 38.95 3gxf n ASN 333 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3gxf s THR 334 N -1.25 3.53 0.61 3.41 2.01 -1.12 -5.03 115.64 117.79 3gxf s THR 334 Ca 0.40 -0.79 -0.18 0.00 0.31 0.00 0.00 61.69 61.42 3gxf s THR 334 Cb 0.21 -2.79 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 3gxf s THR 334 CO 0.28 0.15 1.21 0.00 -0.69 0.00 0.00 174.62 175.57 3gxf s MET 335 N 1.44 2.89 -0.11 4.92 0.23 -1.21 -4.75 119.30 122.70 3gxf s MET 335 Ca 0.02 1.82 -0.06 0.00 -1.03 0.00 0.00 55.69 56.45 3gxf s MET 335 Cb -0.17 -1.92 -0.04 0.00 -1.53 0.00 0.00 34.83 31.18 3gxf s MET 335 CO -0.00 -1.27 0.11 -0.51 -2.03 0.00 0.00 175.02 171.31 3gxf s LEU 336 N -4.18 4.19 -0.13 0.18 1.43 -1.26 -0.81 118.68 118.10 3gxf s LEU 336 Ca 0.77 0.39 -0.06 0.00 -1.03 0.00 0.00 54.13 54.20 3gxf s LEU 336 Cb -0.30 -2.02 0.06 0.00 0.03 0.00 0.00 46.19 43.96 3gxf s LEU 336 CO 0.34 0.40 0.28 0.12 0.23 0.00 0.00 176.35 177.72 3gxf s PHE 337 N -1.00 -0.43 -0.53 0.29 5.36 -0.27 -0.80 117.98 120.60 3gxf s PHE 337 Ca 0.15 0.96 -0.28 0.00 -0.96 0.00 0.00 56.93 56.80 3gxf s PHE 337 Cb -0.12 0.05 0.03 0.00 -0.34 0.00 0.00 43.02 42.64 3gxf s PHE 337 CO 0.04 -0.31 1.14 0.00 -1.46 0.00 0.00 175.22 174.63 3gxf s ALA 338 N 1.84 3.09 -1.89 11.12 0.00 -0.66 0.09 121.76 135.35 3gxf s ALA 338 Ca -0.05 -0.69 0.24 0.00 0.00 0.00 0.00 51.96 51.46 3gxf s ALA 338 Cb -0.11 -3.93 0.24 0.00 0.00 0.00 0.00 23.12 19.32 3gxf s ALA 338 CO -0.09 -2.43 1.24 -1.13 0.00 0.00 0.00 175.76 173.35 3gxf n SER 339 N 8.05 1.64 -3.53 0.00 3.41 -0.08 -0.52 113.62 122.59 3gxf n SER 339 Ca 0.10 -1.27 -0.00 0.00 -0.26 0.00 0.00 58.87 57.43 3gxf n SER 339 Cb 0.49 0.38 -0.04 0.00 -0.26 0.00 0.00 64.21 64.78 3gxf n SER 339 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3gxf s GLU 340 N -2.51 0.44 0.16 4.33 2.12 -1.11 -4.72 118.70 117.40 3gxf s GLU 340 Ca 0.20 1.06 0.09 0.00 0.36 0.00 0.00 54.97 56.68 3gxf s GLU 340 Cb 0.18 0.60 -0.04 0.00 0.26 0.00 0.00 34.13 35.13 3gxf s GLU 340 CO 0.57 -0.14 -0.19 0.00 -0.54 0.00 0.00 175.26 174.95 3gxf s ALA 341 N 2.56 2.06 0.09 6.30 0.00 -1.07 -1.09 121.76 130.61 3gxf s ALA 341 Ca -0.05 -1.48 -0.26 0.00 0.00 0.00 0.00 51.96 50.17 3gxf s ALA 341 Cb -0.08 -0.21 0.08 0.00 0.00 0.00 0.00 23.12 22.90 3gxf s ALA 341 CO -0.18 0.28 0.85 0.00 0.00 0.00 0.00 175.76 176.70 3gxf s VAL 343 N -3.34 0.03 0.00 0.00 0.11 -1.26 -4.01 120.40 111.92 3gxf s VAL 343 Ca 0.07 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 3gxf s VAL 343 Cb -0.02 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 3gxf s VAL 343 CO -0.05 -0.14 0.12 0.61 -3.33 0.00 0.00 175.10 172.31 3gxf n GLY 344 N 1.80 -0.43 3.48 6.54 0.00 -1.25 0.73 105.19 116.06 3gxf n GLY 344 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 3gxf n GLY 344 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gxf s SER 345 N -2.52 -0.64 0.00 1.61 0.15 -1.25 -3.32 113.70 107.73 3gxf s SER 345 Ca 0.00 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.83 3gxf s SER 345 Cb 0.00 1.16 0.00 0.00 -1.71 0.00 0.00 66.02 65.47 3gxf s SER 345 CO 0.00 -0.21 0.00 1.17 1.20 0.00 0.00 173.24 175.40 3gxf n LYS 346 N 3.18 0.00 -0.30 5.44 0.00 -1.26 -4.95 118.16 120.27 3gxf n LYS 346 Ca -0.16 0.00 0.25 0.00 0.00 0.00 0.00 58.31 58.40 3gxf n LYS 346 Cb 0.56 0.00 0.58 0.00 0.00 0.00 0.00 35.03 36.17 3gxf n LYS 346 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 3gxf h PHE 347 N 0.00 0.45 -0.09 5.64 -5.15 -1.99 1.19 116.94 116.98 3gxf h PHE 347 Ca 0.00 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.79 3gxf h PHE 347 Cb 0.00 -0.13 0.00 0.00 0.22 0.00 0.00 35.95 36.04 3gxf h PHE 347 CO 0.00 0.05 0.00 -2.67 -2.00 0.00 0.00 178.31 173.69 3gxf n TRP 348 N -4.49 0.12 -4.66 6.09 2.14 -1.26 -4.88 117.44 110.50 3gxf n TRP 348 Ca 0.24 -0.06 -0.25 0.00 2.07 0.00 0.00 57.50 59.50 3gxf n TRP 348 Cb 0.93 0.00 -0.14 0.00 -0.81 0.00 0.00 31.31 31.29 3gxf n TRP 348 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 3gxf s GLU 349 N -1.88 1.38 0.21 -2.67 2.02 0.41 -5.11 118.70 113.06 3gxf s GLU 349 Ca 0.20 -0.89 -0.31 0.00 0.02 0.00 0.00 54.97 54.00 3gxf s GLU 349 Cb 0.10 -1.46 -0.15 0.00 0.10 0.00 0.00 34.13 32.71 3gxf s GLU 349 CO 0.16 0.38 1.00 1.04 0.02 0.00 0.00 175.26 177.86 3gxf n GLN 350 N 1.95 1.01 -0.33 1.61 1.13 -1.26 -4.78 117.38 116.70 3gxf n GLN 350 Ca -0.17 0.36 -0.07 0.00 -1.94 0.00 0.00 57.00 55.18 3gxf n GLN 350 Cb 0.53 -1.73 -0.03 0.00 0.11 0.00 0.00 30.24 29.13 3gxf n GLN 350 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 3gxf h SER 351 N 2.48 -1.68 -3.42 1.08 0.02 -1.88 -3.41 113.55 106.74 3gxf h SER 351 Ca -0.40 0.30 -0.64 0.00 -0.84 0.00 0.00 61.79 60.21 3gxf h SER 351 Cb 1.36 0.79 -0.22 0.00 0.14 0.00 0.00 62.40 64.47 3gxf h SER 351 CO 0.64 -0.29 -0.65 -0.69 -1.14 0.00 0.00 176.83 174.71 3gxf s VAL 352 N -5.77 4.05 -0.30 2.27 1.01 -1.26 -1.83 120.40 118.56 3gxf s VAL 352 Ca -0.13 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.59 3gxf s VAL 352 Cb 0.15 -2.83 0.09 0.00 0.00 0.00 0.00 36.38 33.79 3gxf s VAL 352 CO 0.67 0.43 0.01 -0.13 0.00 0.00 0.00 175.10 176.08 3gxf s ARG 353 N 0.91 1.53 -0.37 2.72 0.52 -1.26 -5.04 118.95 117.97 3gxf s ARG 353 Ca 0.01 -1.52 -0.27 0.00 -0.52 0.00 0.00 55.73 53.43 3gxf s ARG 353 Cb -0.14 -2.87 -0.05 0.00 0.52 0.00 0.00 34.95 32.41 3gxf s ARG 353 CO 0.02 -0.82 2.20 -0.51 0.02 0.00 0.00 175.30 176.21 3gxf s LEU 354 N 1.12 3.42 0.00 2.53 1.43 -1.26 -2.24 118.68 123.69 3gxf s LEU 354 Ca 0.04 1.39 0.00 0.00 -1.03 0.00 0.00 54.13 54.53 3gxf s LEU 354 Cb -0.19 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 42.96 3gxf s LEU 354 CO -0.10 -2.30 0.00 0.61 0.23 0.00 0.00 176.35 174.80 3gxf n GLY 355 N 5.80 0.95 3.56 -3.19 0.00 -1.26 -4.12 105.19 106.93 3gxf n GLY 355 Ca 0.31 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.95 3gxf n GLY 355 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gxf s SER 356 N -2.12 4.57 0.49 1.61 0.15 -0.95 -1.09 113.70 116.36 3gxf s SER 356 Ca 0.00 1.19 0.16 0.00 0.70 0.00 0.00 55.95 58.00 3gxf s SER 356 Cb 0.00 -2.50 1.18 0.00 -1.71 0.00 0.00 66.02 62.98 3gxf s SER 356 CO 0.00 -2.76 2.08 -0.25 1.20 0.00 0.00 173.24 173.51 3gxf h TRP 357 N 18.96 0.17 0.07 3.44 2.91 -1.90 -3.13 115.95 136.48 3gxf h TRP 357 Ca -0.26 0.00 -0.24 0.00 1.13 0.00 0.00 58.89 59.52 3gxf h TRP 357 Cb 1.26 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 29.85 3gxf h TRP 357 CO 0.96 0.09 -1.11 0.22 -1.03 0.00 0.00 178.44 177.57 3gxf h ASP 358 N 0.17 0.26 0.43 2.65 3.58 -1.99 -0.61 116.42 120.92 3gxf h ASP 358 Ca 0.11 -0.27 -0.10 0.00 0.42 0.00 0.00 57.03 57.20 3gxf h ASP 358 Cb 0.25 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 3gxf h ASP 358 CO -0.02 1.19 -0.45 0.03 -2.88 0.00 0.00 179.24 177.11 3gxf h ARG 359 N 0.06 0.03 0.73 0.28 3.08 -1.96 -0.76 114.38 115.83 3gxf h ARG 359 Ca -0.08 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 3gxf h ARG 359 Cb 1.84 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.90 3gxf h ARG 359 CO 0.17 0.48 -0.35 0.78 -1.07 0.00 0.00 179.97 179.98 3gxf h GLY 360 N 1.36 -1.02 0.06 0.04 0.00 -1.40 -2.65 103.07 99.45 3gxf h GLY 360 Ca -0.00 0.38 0.22 0.00 0.00 0.00 0.00 47.33 47.93 3gxf h GLY 360 CO 0.06 -0.37 0.63 -0.33 0.00 0.00 0.00 176.54 176.53 3gxf h MET 361 N -1.03 0.53 -0.47 4.80 2.86 -1.02 0.04 114.93 120.63 3gxf h MET 361 Ca -0.10 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 3gxf h MET 361 Cb 0.76 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 3gxf h MET 361 CO 0.16 0.35 0.24 1.96 1.06 0.00 0.00 176.91 180.68 3gxf h GLN 362 N 0.54 0.67 -0.15 1.72 4.20 -1.09 -0.62 115.11 120.38 3gxf h GLN 362 Ca 0.56 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 59.20 3gxf h GLN 362 Cb 1.20 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.83 3gxf h GLN 362 CO -0.31 0.55 0.04 1.88 -0.67 0.00 0.00 178.83 180.32 3gxf h TYR 363 N 0.62 0.08 -0.32 2.96 -1.99 -0.63 -2.44 116.97 115.25 3gxf h TYR 363 Ca 0.16 0.01 -0.18 0.00 2.00 0.00 0.00 58.73 60.72 3gxf h TYR 363 Cb 0.09 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 38.81 3gxf h TYR 363 CO -0.01 0.04 -0.51 0.66 -0.00 0.00 0.00 178.16 178.34 3gxf h SER 364 N 0.11 0.99 -0.69 3.88 4.64 -1.43 -1.02 113.55 120.04 3gxf h SER 364 Ca 0.06 -0.51 0.05 0.00 -0.47 0.00 0.00 61.79 60.92 3gxf h SER 364 Cb 0.04 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 61.81 3gxf h SER 364 CO -0.07 1.32 0.46 -0.74 -0.87 0.00 0.00 176.83 176.92 3gxf h HIS 365 N 0.70 0.77 0.19 4.77 -0.00 -1.10 -1.12 115.15 119.36 3gxf h HIS 365 Ca 0.03 0.02 -0.31 0.00 -0.00 0.00 0.00 60.37 60.10 3gxf h HIS 365 Cb 1.11 -0.26 0.02 0.00 -0.00 0.00 0.00 27.41 28.29 3gxf h HIS 365 CO 0.07 0.43 -1.43 1.03 -0.00 0.00 0.00 177.93 178.03 3gxf h SER 366 N 0.78 0.61 -0.48 3.26 0.87 -1.24 -2.59 113.55 114.77 3gxf h SER 366 Ca 0.28 -0.70 0.03 0.00 -1.23 0.00 0.00 61.79 60.17 3gxf h SER 366 Cb 0.14 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 3gxf h SER 366 CO -0.09 1.56 0.27 0.40 -0.53 0.00 0.00 176.83 178.45 3gxf h ILE 367 N 0.11 1.02 -0.11 2.23 2.04 -1.00 -0.94 117.51 120.87 3gxf h ILE 367 Ca -0.22 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.47 3gxf h ILE 367 Cb 2.08 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 3gxf h ILE 367 CO 0.23 0.10 -0.03 0.40 0.00 0.00 0.00 178.15 178.84 3gxf h ILE 368 N 0.54 0.87 -0.66 -0.67 2.04 -1.27 0.69 117.51 119.05 3gxf h ILE 368 Ca 0.20 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.09 3gxf h ILE 368 Cb 0.05 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3gxf h ILE 368 CO -0.10 0.00 0.41 0.74 0.00 0.00 0.00 178.15 179.19 3gxf h THR 369 N -0.01 1.07 0.34 -0.27 2.02 -1.26 -0.44 112.91 114.36 3gxf h THR 369 Ca 0.05 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 3gxf h THR 369 Cb 0.09 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.68 3gxf h THR 369 CO -0.12 0.14 -0.44 -1.13 0.37 0.00 0.00 175.52 174.35 3gxf h ASN 370 N 0.79 -1.22 -0.82 4.18 -0.73 -0.93 -1.58 115.58 115.28 3gxf h ASN 370 Ca 0.27 0.11 0.13 0.00 1.87 0.00 0.00 56.30 58.68 3gxf h ASN 370 Cb 0.04 0.42 -0.09 0.00 0.27 0.00 0.00 38.32 38.97 3gxf h ASN 370 CO -0.11 -0.56 0.43 -0.07 -0.37 0.00 0.00 177.43 176.74 3gxf h LEU 371 N -0.82 0.54 -0.51 0.34 3.38 -0.42 -0.21 115.31 117.60 3gxf h LEU 371 Ca -0.03 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3gxf h LEU 371 Cb 0.76 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3gxf h LEU 371 CO -0.12 0.26 0.00 0.18 0.09 0.00 0.00 178.44 178.85 3gxf n LEU 372 N -4.85 0.39 -2.28 1.67 4.77 -0.21 -3.09 117.00 113.40 3gxf n LEU 372 Ca 0.15 0.61 -0.26 0.00 -0.03 0.00 0.00 56.01 56.49 3gxf n LEU 372 Cb 0.38 -0.58 0.01 0.00 -2.33 0.00 0.00 43.42 40.90 3gxf n LEU 372 CO 0.23 -0.50 0.19 -1.22 -1.33 0.00 0.00 177.39 174.75 3gxf n TYR 373 N -1.95 3.12 -0.90 -1.77 4.02 -0.14 -4.96 117.16 114.59 3gxf n TYR 373 Ca 0.02 -2.72 0.00 0.00 -0.01 0.00 0.00 57.90 55.19 3gxf n TYR 373 Cb 0.17 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.29 3gxf n TYR 373 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3gxf n HIS 374 N -0.58 0.00 -2.36 -0.72 8.25 -1.18 -4.59 115.22 114.04 3gxf n HIS 374 Ca 0.41 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.46 3gxf n HIS 374 Cb 0.80 -0.62 -0.03 0.00 1.12 0.00 0.00 29.99 31.25 3gxf n HIS 374 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gxf s VAL 375 N -2.36 3.39 -0.81 1.59 1.01 -0.93 -4.28 120.40 118.00 3gxf s VAL 375 Ca 0.00 1.27 0.16 0.00 0.00 0.00 0.00 61.98 63.42 3gxf s VAL 375 Cb 0.00 -3.81 -0.17 0.00 0.00 0.00 0.00 36.38 32.40 3gxf s VAL 375 CO 0.00 0.25 0.71 1.33 0.00 0.00 0.00 175.10 177.39 3gxf n VAL 376 N 1.81 0.00 -3.49 2.92 0.24 0.02 -4.36 118.33 115.47 3gxf n VAL 376 Ca 0.02 -0.12 -0.11 0.00 -2.04 0.00 0.00 64.34 62.08 3gxf n VAL 376 Cb 0.44 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.79 3gxf n VAL 376 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3gxf s GLY 377 N -2.53 -0.51 -0.04 7.63 0.00 -1.26 0.28 107.32 110.89 3gxf s GLY 377 Ca 0.07 0.33 -0.02 0.00 0.00 0.00 0.00 44.72 45.10 3gxf s GLY 377 CO 0.67 0.04 0.06 0.86 0.00 0.00 0.00 173.10 174.73 3gxf s TRP 378 N -3.77 0.03 -0.14 1.90 -0.00 -0.95 -1.65 118.94 114.35 3gxf s TRP 378 Ca 0.02 0.25 0.01 0.00 -0.00 0.00 0.00 56.10 56.39 3gxf s TRP 378 Cb -0.01 -0.38 0.02 0.00 -0.00 0.00 0.00 33.47 33.10 3gxf s TRP 378 CO -0.12 -0.16 -0.18 -0.08 -0.00 0.00 0.00 176.95 176.41 3gxf s THR 379 N 1.80 1.76 1.01 5.86 -1.32 0.32 -2.79 115.64 122.29 3gxf s THR 379 Ca -0.00 -0.78 -0.12 0.00 -1.21 0.00 0.00 61.69 59.58 3gxf s THR 379 Cb -0.12 -1.60 0.20 0.00 -1.51 0.00 0.00 72.50 69.46 3gxf s THR 379 CO -0.03 0.49 1.08 -0.62 -2.21 0.00 0.00 174.62 173.33 3gxf s ASP 380 N 1.13 2.31 0.00 8.08 2.15 0.20 -2.60 116.67 127.94 3gxf s ASP 380 Ca -0.02 1.70 0.00 0.00 0.43 0.00 0.00 52.55 54.67 3gxf s ASP 380 Cb -0.14 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 3gxf s ASP 380 CO -0.06 -3.40 0.00 1.87 -0.17 0.00 0.00 175.17 173.41 3gxf n TRP 381 N -4.40 0.00 -1.58 -5.34 -0.00 -0.89 -2.76 117.44 102.47 3gxf n TRP 381 Ca 0.07 0.00 -0.54 0.00 -0.00 0.00 0.00 57.50 57.03 3gxf n TRP 381 Cb 0.54 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.78 3gxf n TRP 381 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 3gxf n ASN 382 N 0.00 1.31 0.24 5.87 3.02 -1.26 -1.21 115.26 123.23 3gxf n ASN 382 Ca 0.00 1.13 0.08 0.00 -0.03 0.00 0.00 54.58 55.75 3gxf n ASN 382 Cb 0.00 -1.12 0.59 0.00 -0.61 0.00 0.00 39.78 38.63 3gxf n ASN 382 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3gxf h LEU 383 N 4.37 0.00 -7.19 3.41 3.38 -1.40 -3.42 115.31 114.45 3gxf h LEU 383 Ca -0.48 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.40 3gxf h LEU 383 Cb 1.36 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.89 3gxf h LEU 383 CO 0.76 0.15 -0.05 0.00 0.09 0.00 0.00 178.44 179.39 3gxf s ALA 384 N -4.54 -1.35 0.30 1.53 0.00 -1.26 -3.99 121.76 112.44 3gxf s ALA 384 Ca -0.04 1.33 0.02 0.00 0.00 0.00 0.00 51.96 53.28 3gxf s ALA 384 Cb 0.15 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.62 3gxf s ALA 384 CO 0.66 -0.28 0.09 -0.51 0.00 0.00 0.00 175.76 175.72 3gxf s LEU 385 N -0.21 1.87 0.87 0.00 1.43 -0.66 -3.86 118.68 118.12 3gxf s LEU 385 Ca -0.04 -1.41 -0.12 0.00 -1.03 0.00 0.00 54.13 51.53 3gxf s LEU 385 Cb -0.03 -0.14 0.15 0.00 0.03 0.00 0.00 46.19 46.20 3gxf s LEU 385 CO 0.03 -0.70 1.22 0.54 0.23 0.00 0.00 176.35 177.66 3gxf s ASN 386 N -3.40 3.77 0.00 2.29 2.20 -0.28 -0.72 114.94 118.80 3gxf s ASN 386 Ca 0.36 0.33 0.07 0.00 -0.94 0.00 0.00 52.86 52.68 3gxf s ASN 386 Cb 0.08 -0.58 0.33 0.00 -2.00 0.00 0.00 41.25 39.08 3gxf s ASN 386 CO 0.15 -2.31 1.17 -2.65 -2.94 0.00 0.00 177.10 170.51 3gxf n PRO 387 N -3.46 0.05 -0.23 3.55 -0.02 -1.25 -1.34 135.00 132.31 3gxf n PRO 387 Ca 0.13 0.31 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 3gxf n PRO 387 Cb 0.60 -1.50 0.26 0.00 -0.02 0.00 0.00 33.50 32.84 3gxf n PRO 387 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3gxf n GLU 388 N -1.41 2.47 -1.19 -0.52 0.00 -1.26 -4.70 120.64 114.03 3gxf n GLU 388 Ca 0.02 -2.23 -0.03 0.00 0.00 0.00 0.00 57.16 54.92 3gxf n GLU 388 Cb 0.07 -1.51 -0.01 0.00 0.00 0.00 0.00 31.44 29.99 3gxf n GLU 388 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3gxf n GLY 389 N 1.50 0.61 2.19 -1.84 0.00 -0.45 -4.79 105.19 102.41 3gxf n GLY 389 Ca 0.20 -0.90 -0.17 0.00 0.00 0.00 0.00 46.02 45.15 3gxf n GLY 389 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxf n GLY 390 N -2.42 3.59 3.76 -0.02 0.00 -1.26 -4.63 105.19 104.22 3gxf n GLY 390 Ca -0.04 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.49 3gxf n GLY 390 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gxf s PRO 391 N -3.03 4.59 -0.10 1.61 0.04 -1.26 -1.13 135.00 135.71 3gxf s PRO 391 Ca 0.11 1.75 -0.03 0.00 0.04 0.00 0.00 61.00 62.87 3gxf s PRO 391 Cb 0.01 -3.11 0.05 0.00 0.04 0.00 0.00 34.50 31.48 3gxf s PRO 391 CO 0.08 0.18 0.08 1.21 0.04 0.00 0.00 177.00 178.59 3gxf s ASN 392 N -0.98 1.65 0.20 6.66 3.84 -1.26 -4.25 114.94 120.79 3gxf s ASN 392 Ca 0.46 -0.22 0.14 0.00 0.21 0.00 0.00 52.86 53.45 3gxf s ASN 392 Cb -0.30 -0.14 0.74 0.00 -0.55 0.00 0.00 41.25 40.99 3gxf s ASN 392 CO 0.39 -0.30 1.43 -2.67 -2.79 0.00 0.00 177.10 173.16 3gxf n TRP 393 N 5.29 0.46 -0.02 0.43 4.27 -0.74 -3.84 117.44 123.29 3gxf n TRP 393 Ca -0.05 0.24 -0.06 0.00 -3.89 0.00 0.00 57.50 53.74 3gxf n TRP 393 Cb 0.50 -0.88 -0.02 0.00 -1.36 0.00 0.00 31.31 29.55 3gxf n TRP 393 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 3gxf n VAL 394 N -1.97 0.68 -3.65 -1.67 0.31 -1.26 -5.10 118.33 105.67 3gxf n VAL 394 Ca -0.01 0.05 -0.02 0.00 -0.01 0.00 0.00 64.34 64.35 3gxf n VAL 394 Cb 0.04 -1.65 -0.07 0.00 -0.91 0.00 0.00 33.84 31.25 3gxf n VAL 394 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3gxf s ARG 395 N -2.16 0.02 0.11 5.55 3.52 -1.25 -5.14 118.95 119.61 3gxf s ARG 395 Ca -0.09 0.02 -0.25 0.00 -0.13 0.00 0.00 55.73 55.28 3gxf s ARG 395 Cb 0.03 0.01 -0.07 0.00 -1.56 0.00 0.00 34.95 33.36 3gxf s ARG 395 CO 0.11 -0.00 0.78 0.54 -0.81 0.00 0.00 175.30 175.93 3gxf s ASN 396 N -0.09 7.32 0.00 -2.12 4.22 -1.26 -4.89 114.94 118.12 3gxf s ASN 396 Ca 0.08 1.57 0.00 0.00 -2.14 0.00 0.00 52.86 52.37 3gxf s ASN 396 Cb -0.05 -2.49 0.00 0.00 1.28 0.00 0.00 41.25 39.99 3gxf s ASN 396 CO -0.16 0.11 0.00 2.22 -2.04 0.00 0.00 177.10 177.23 3gxf n PHE 397 N 2.18 0.00 -4.24 1.54 1.16 -1.26 -4.85 117.46 111.99 3gxf n PHE 397 Ca -0.04 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.33 3gxf n PHE 397 Cb 0.49 0.01 -0.12 0.00 -1.61 0.00 0.00 39.48 38.25 3gxf n PHE 397 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 3gxf s VAL 398 N 0.00 1.36 0.89 1.97 -7.23 -1.26 -3.92 120.40 112.20 3gxf s VAL 398 Ca 0.00 -1.38 -0.13 0.00 -1.81 0.00 0.00 61.98 58.67 3gxf s VAL 398 Cb 0.00 -1.27 0.17 0.00 0.56 0.00 0.00 36.38 35.84 3gxf s VAL 398 CO 0.00 -0.14 1.24 -0.62 -0.31 0.00 0.00 175.10 175.27 3gxf s ASP 399 N -1.76 3.58 -0.01 4.85 -1.08 0.22 -4.47 116.67 118.01 3gxf s ASP 399 Ca 0.02 0.25 -0.13 0.00 -0.52 0.00 0.00 52.55 52.17 3gxf s ASP 399 Cb -0.10 -0.44 0.02 0.00 -1.46 0.00 0.00 42.92 40.94 3gxf s ASP 399 CO 0.03 -2.43 0.27 -0.55 0.52 0.00 0.00 175.17 173.01 3gxf s SER 400 N -4.81 -0.15 0.45 -0.34 0.15 -1.26 -4.75 113.70 103.00 3gxf s SER 400 Ca 0.70 0.04 0.14 0.00 0.70 0.00 0.00 55.95 57.53 3gxf s SER 400 Cb -0.05 0.30 1.06 0.00 -1.71 0.00 0.00 66.02 65.61 3gxf s SER 400 CO 0.51 -0.42 2.01 -0.65 1.20 0.00 0.00 173.24 175.89 3gxf h PRO 401 N 4.03 0.35 -5.29 5.44 0.11 -1.82 -3.40 132.00 131.42 3gxf h PRO 401 Ca -0.30 -0.02 -0.68 0.00 0.11 0.00 0.00 66.00 65.12 3gxf h PRO 401 Cb 1.18 -0.08 -0.33 0.00 0.11 0.00 0.00 31.00 31.89 3gxf h PRO 401 CO 0.40 0.23 -0.86 0.42 -0.21 0.00 0.00 178.00 177.97 3gxf s ILE 402 N -5.34 2.17 -0.21 4.15 1.01 -1.26 -0.16 121.20 121.56 3gxf s ILE 402 Ca -0.07 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.58 3gxf s ILE 402 Cb 0.19 -1.85 -0.00 0.00 0.01 0.00 0.00 42.46 40.81 3gxf s ILE 402 CO 0.74 0.55 -0.07 -0.63 0.00 0.00 0.00 174.94 175.53 3gxf s ILE 403 N 0.49 3.15 -0.18 2.92 -1.09 -0.34 -1.66 121.20 124.49 3gxf s ILE 403 Ca -0.15 -0.58 -0.16 0.00 -2.23 0.00 0.00 60.65 57.54 3gxf s ILE 403 Cb -0.17 -2.43 -0.04 0.00 -1.58 0.00 0.00 42.46 38.24 3gxf s ILE 403 CO 0.05 0.44 0.39 -0.69 -1.23 0.00 0.00 174.94 173.91 3gxf s VAL 404 N 1.45 5.21 -0.67 2.92 1.01 0.11 0.06 120.40 130.48 3gxf s VAL 404 Ca 0.06 0.72 -0.08 0.00 0.00 0.00 0.00 61.98 62.68 3gxf s VAL 404 Cb -0.14 -3.73 0.17 0.00 0.00 0.00 0.00 36.38 32.69 3gxf s VAL 404 CO -0.05 0.28 0.54 -0.62 0.00 0.00 0.00 175.10 175.26 3gxf s ASP 405 N 0.89 5.87 0.48 3.32 -1.08 -0.43 -3.81 116.67 121.91 3gxf s ASP 405 Ca 0.20 -2.63 0.26 0.00 -0.52 0.00 0.00 52.55 49.85 3gxf s ASP 405 Cb -0.14 -2.01 1.17 0.00 -1.46 0.00 0.00 42.92 40.47 3gxf s ASP 405 CO 0.08 -0.50 1.94 0.16 0.52 0.00 0.00 175.17 177.37 3gxf h ILE 406 N 5.25 0.56 0.00 4.11 -2.65 -1.87 -1.63 117.51 121.27 3gxf h ILE 406 Ca -0.01 -0.86 0.00 0.00 1.03 0.00 0.00 64.86 65.02 3gxf h ILE 406 Cb 1.00 1.57 0.00 0.00 -2.05 0.00 0.00 36.82 37.35 3gxf h ILE 406 CO 0.76 0.18 0.00 0.71 0.03 0.00 0.00 178.15 179.82 3gxf h THR 407 N 0.00 0.00 0.00 0.16 1.35 -1.93 -1.86 112.91 110.63 3gxf h THR 407 Ca -0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3gxf h THR 407 Cb 0.56 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 3gxf h THR 407 CO 0.02 0.00 -0.02 0.29 -0.25 0.00 0.00 175.52 175.57 3gxf n LYS 408 N -2.46 2.03 -4.45 4.72 5.02 -0.87 -4.99 118.16 117.16 3gxf n LYS 408 Ca 0.01 -1.92 -0.39 0.00 -2.02 0.00 0.00 58.31 53.99 3gxf n LYS 408 Cb 0.22 -1.18 -0.08 0.00 -0.02 0.00 0.00 35.03 33.96 3gxf n LYS 408 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3gxf n ASP 409 N -0.88 -1.19 -4.37 4.39 2.03 -0.70 -4.94 116.55 110.89 3gxf n ASP 409 Ca 0.07 -1.23 -0.21 0.00 0.52 0.00 0.00 54.79 53.94 3gxf n ASP 409 Cb 0.45 -1.72 -0.10 0.00 -0.72 0.00 0.00 41.12 39.03 3gxf n ASP 409 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3gxf s THR 410 N -3.56 1.93 0.04 5.18 -4.23 -0.67 -3.97 115.64 110.37 3gxf s THR 410 Ca 0.60 -2.18 0.03 0.00 -1.18 0.00 0.00 61.69 58.95 3gxf s THR 410 Cb -0.35 -2.06 -0.02 0.00 1.34 0.00 0.00 72.50 71.41 3gxf s THR 410 CO 1.01 -0.48 -0.09 0.72 -0.54 0.00 0.00 174.62 175.25 3gxf s PHE 411 N -2.62 0.76 -0.13 3.99 -0.12 0.82 -1.31 117.98 119.37 3gxf s PHE 411 Ca 0.23 -0.47 0.01 0.00 -0.05 0.00 0.00 56.93 56.64 3gxf s PHE 411 Cb -0.03 -0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 41.90 3gxf s PHE 411 CO 0.09 -0.06 -0.15 0.71 -0.05 0.00 0.00 175.22 175.76 3gxf s TYR 412 N -1.30 2.77 -0.42 3.49 1.51 0.11 -0.95 117.35 122.54 3gxf s TYR 412 Ca -0.08 -0.79 -0.16 0.00 -1.01 0.00 0.00 57.07 55.03 3gxf s TYR 412 Cb -0.10 -1.84 0.03 0.00 -0.11 0.00 0.00 41.96 39.95 3gxf s TYR 412 CO 0.01 -0.30 0.35 0.15 -1.11 0.00 0.00 175.55 174.65 3gxf s LYS 413 N 0.46 3.00 0.65 -0.62 1.02 -0.52 -1.19 119.74 122.54 3gxf s LYS 413 Ca -0.11 -1.01 -0.14 0.00 0.02 0.00 0.00 55.97 54.73 3gxf s LYS 413 Cb -0.16 -4.00 -0.01 0.00 -0.52 0.00 0.00 37.83 33.14 3gxf s LYS 413 CO 0.05 -0.83 1.08 -0.65 -0.92 0.00 0.00 175.35 174.08 3gxf s GLN 414 N 1.80 3.00 0.45 1.68 -1.52 0.78 -1.65 119.66 124.20 3gxf s GLN 414 Ca 0.07 1.21 0.26 0.00 -1.95 0.00 0.00 55.36 54.94 3gxf s GLN 414 Cb -0.19 -1.99 1.29 0.00 -0.22 0.00 0.00 33.01 31.90 3gxf s GLN 414 CO 0.10 -1.06 1.75 -1.35 -0.25 0.00 0.00 175.29 174.48 3gxf h PRO 415 N -0.03 0.22 -0.98 2.91 0.11 -1.79 0.94 132.00 133.38 3gxf h PRO 415 Ca -0.46 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.81 3gxf h PRO 415 Cb 1.23 -0.05 -0.09 0.00 0.11 0.00 0.00 31.00 32.20 3gxf h PRO 415 CO 0.56 0.14 0.61 0.52 -0.21 0.00 0.00 178.00 179.62 3gxf h MET 416 N 0.22 0.73 -0.42 1.05 2.86 -1.86 -1.36 114.93 116.16 3gxf h MET 416 Ca 0.63 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 58.26 3gxf h MET 416 Cb 1.93 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 33.39 3gxf h MET 416 CO -0.23 0.48 0.19 0.35 1.06 0.00 0.00 176.91 178.76 3gxf h PHE 417 N 0.75 0.34 0.00 -0.22 3.57 -1.00 -1.44 116.94 118.95 3gxf h PHE 417 Ca 0.53 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.95 3gxf h PHE 417 Cb 0.84 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 3gxf h PHE 417 CO -0.00 0.16 -0.49 1.88 -2.23 0.00 0.00 178.31 177.63 3gxf h TYR 418 N 0.38 0.00 -0.10 0.41 -1.99 -1.43 -1.83 116.97 112.41 3gxf h TYR 418 Ca 0.18 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.80 3gxf h TYR 418 Cb 0.12 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.85 3gxf h TYR 418 CO -0.12 0.49 -0.40 0.45 -0.00 0.00 0.00 178.16 178.58 3gxf h HIS 419 N 0.00 0.60 -0.45 4.88 3.86 -1.14 -2.81 115.15 120.09 3gxf h HIS 419 Ca -0.00 -0.25 0.09 0.00 -1.16 0.00 0.00 60.37 59.04 3gxf h HIS 419 Cb 1.02 -0.10 -0.09 0.00 1.06 0.00 0.00 27.41 29.30 3gxf h HIS 419 CO 0.00 1.00 -0.15 -0.07 0.86 0.00 0.00 177.93 179.58 3gxf h LEU 420 N 0.02 -0.53 -1.54 2.43 3.38 -1.28 -3.03 115.31 114.77 3gxf h LEU 420 Ca -0.02 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3gxf h LEU 420 Cb 1.03 0.32 0.00 0.00 0.09 0.00 0.00 40.66 42.10 3gxf h LEU 420 CO 0.08 -0.18 0.00 1.23 0.09 0.00 0.00 178.44 179.66 3gxf h GLY 421 N -0.05 0.00 2.00 0.83 0.00 -1.29 0.69 103.07 105.25 3gxf h GLY 421 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3gxf h GLY 421 CO -0.49 0.00 0.00 0.45 0.00 0.00 0.00 176.54 176.50 3gxf h HIS 422 N 0.00 0.00 0.00 5.60 3.86 -1.37 -1.91 115.15 121.34 3gxf h HIS 422 Ca 0.00 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.02 3gxf h HIS 422 Cb 0.35 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.79 3gxf h HIS 422 CO 0.00 0.00 -1.49 1.19 0.86 0.00 0.00 177.93 178.49 3gxf n PHE 423 N -2.52 0.00 -0.10 2.45 3.01 -0.89 -4.62 117.46 114.79 3gxf n PHE 423 Ca 0.03 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.48 3gxf n PHE 423 Cb 0.36 -0.55 0.25 0.00 -0.01 0.00 0.00 39.48 39.53 3gxf n PHE 423 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3gxf h SER 424 N -0.70 0.68 0.12 4.37 4.64 -0.89 0.41 113.55 122.19 3gxf h SER 424 Ca -0.28 -0.10 -0.18 0.00 -0.47 0.00 0.00 61.79 60.76 3gxf h SER 424 Cb 1.11 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3gxf h SER 424 CO -0.17 0.65 -0.67 0.50 -0.87 0.00 0.00 176.83 176.27 3gxf h LYS 425 N 0.73 0.51 -0.11 4.77 3.64 -0.40 -3.34 116.57 122.38 3gxf h LYS 425 Ca 0.17 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 3gxf h LYS 425 Cb 0.22 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3gxf h LYS 425 CO -0.01 1.01 0.00 1.19 -2.27 0.00 0.00 179.45 179.37 3gxf n PHE 426 N -3.89 0.14 -3.80 1.91 3.01 -0.90 -4.72 117.46 109.21 3gxf n PHE 426 Ca -0.04 -0.19 -0.28 0.00 1.01 0.00 0.00 57.45 57.94 3gxf n PHE 426 Cb 0.68 -0.01 -0.12 0.00 -0.01 0.00 0.00 39.48 40.02 3gxf n PHE 426 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3gxf s ILE 427 N -0.82 2.32 0.94 4.37 1.01 0.09 -4.93 121.20 124.18 3gxf s ILE 427 Ca 0.13 -3.82 -0.11 0.00 0.00 0.00 0.00 60.65 56.85 3gxf s ILE 427 Cb 0.08 -2.54 0.16 0.00 0.01 0.00 0.00 42.46 40.16 3gxf s ILE 427 CO 0.11 -1.03 1.11 -2.16 0.00 0.00 0.00 174.94 172.97 3gxf s PRO 428 N -0.99 0.84 0.16 2.79 0.04 -1.26 -4.84 135.00 131.74 3gxf s PRO 428 Ca 0.25 1.28 -0.34 0.00 0.04 0.00 0.00 61.00 62.24 3gxf s PRO 428 Cb -0.06 -1.73 -0.15 0.00 0.04 0.00 0.00 34.50 32.61 3gxf s PRO 428 CO -0.15 -2.66 1.36 -1.91 0.04 0.00 0.00 177.00 173.68 3gxf n GLU 429 N -4.23 1.57 0.00 4.56 2.13 -1.26 -2.61 120.64 120.80 3gxf n GLU 429 Ca 0.09 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.48 3gxf n GLU 429 Cb 0.53 -2.20 0.00 0.00 0.27 0.00 0.00 31.44 30.04 3gxf n GLU 429 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gxf n GLY 430 N 2.51 0.32 3.72 8.31 0.00 0.30 -4.82 105.19 115.54 3gxf n GLY 430 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 3gxf n GLY 430 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gxf s SER 431 N -1.93 4.30 -0.06 1.61 0.01 -1.07 -4.36 113.70 112.20 3gxf s SER 431 Ca 0.00 2.54 0.04 0.00 1.31 0.00 0.00 55.95 59.84 3gxf s SER 431 Cb 0.00 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.62 3gxf s SER 431 CO 0.00 -2.20 -0.19 -1.58 0.41 0.00 0.00 173.24 169.68 3gxf s GLN 432 N -3.62 2.08 0.25 12.44 0.74 0.23 -0.76 119.66 131.03 3gxf s GLN 432 Ca 0.80 -0.66 -0.30 0.00 0.05 0.00 0.00 55.36 55.25 3gxf s GLN 432 Cb -0.35 -1.73 -0.09 0.00 1.10 0.00 0.00 33.01 31.94 3gxf s GLN 432 CO 0.43 0.22 1.28 0.50 -0.55 0.00 0.00 175.29 177.17 3gxf s ARG 433 N 0.17 4.41 0.20 1.67 3.52 -0.03 0.09 118.95 128.98 3gxf s ARG 433 Ca -0.08 2.08 0.02 0.00 -0.13 0.00 0.00 55.73 57.62 3gxf s ARG 433 Cb -0.14 -3.15 -0.05 0.00 -1.56 0.00 0.00 34.95 30.05 3gxf s ARG 433 CO 0.04 -0.17 0.02 0.14 -0.81 0.00 0.00 175.30 174.51 3gxf s VAL 434 N -0.46 0.76 0.64 7.11 -7.23 -0.96 -0.34 120.40 119.92 3gxf s VAL 434 Ca 0.53 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.52 3gxf s VAL 434 Cb -0.37 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 3gxf s VAL 434 CO 0.43 -0.35 0.92 0.61 -0.31 0.00 0.00 175.10 176.40 3gxf n GLY 435 N -0.33 -0.47 3.06 2.32 0.00 -0.33 -4.39 105.19 105.05 3gxf n GLY 435 Ca -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 46.02 45.75 3gxf n GLY 435 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gxf s LEU 436 N -2.11 -1.14 -0.20 0.99 2.96 -1.26 -1.28 118.68 116.65 3gxf s LEU 436 Ca 0.75 0.52 -0.11 0.00 -0.22 0.00 0.00 54.13 55.07 3gxf s LEU 436 Cb -0.39 1.76 -0.05 0.00 0.50 0.00 0.00 46.19 48.00 3gxf s LEU 436 CO 0.48 -0.28 0.19 -0.69 -1.32 0.00 0.00 176.35 174.72 3gxf s VAL 437 N 2.74 5.37 0.12 1.68 1.01 -0.21 -4.84 120.40 126.27 3gxf s VAL 437 Ca 0.17 0.29 -0.26 0.00 0.00 0.00 0.00 61.98 62.17 3gxf s VAL 437 Cb -0.14 -3.52 -0.07 0.00 0.00 0.00 0.00 36.38 32.64 3gxf s VAL 437 CO -0.21 0.40 0.81 0.00 0.00 0.00 0.00 175.10 176.10 3gxf s ALA 438 N 0.60 3.39 -0.69 5.51 0.00 -1.26 -1.21 121.76 128.09 3gxf s ALA 438 Ca 0.10 0.39 0.26 0.00 0.00 0.00 0.00 51.96 52.70 3gxf s ALA 438 Cb -0.12 -3.03 0.74 0.00 0.00 0.00 0.00 23.12 20.70 3gxf s ALA 438 CO 0.01 0.17 1.74 0.66 0.00 0.00 0.00 175.76 178.34 3gxf h SER 439 N 4.93 0.00 -4.88 0.00 4.64 -1.29 -3.46 113.55 113.49 3gxf h SER 439 Ca -0.45 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 60.83 3gxf h SER 439 Cb 1.21 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.11 3gxf h SER 439 CO 0.69 0.00 0.24 0.00 -0.87 0.00 0.00 176.83 176.89 3gxf s GLN 440 N -3.12 1.02 0.22 4.77 -2.07 -1.26 -5.00 119.66 114.23 3gxf s GLN 440 Ca 0.10 0.14 -0.28 0.00 -1.82 0.00 0.00 55.36 53.50 3gxf s GLN 440 Cb 0.12 0.48 -0.16 0.00 -1.09 0.00 0.00 33.01 32.35 3gxf s GLN 440 CO 0.61 -0.34 0.63 1.17 -1.32 0.00 0.00 175.29 176.04 3gxf n LYS 441 N 0.70 0.31 -3.83 9.60 4.81 -1.26 -4.97 118.16 123.52 3gxf n LYS 441 Ca -0.17 0.11 -0.08 0.00 -0.87 0.00 0.00 58.31 57.30 3gxf n LYS 441 Cb 0.58 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 34.44 3gxf n LYS 441 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3gxf s ASN 442 N -0.90 -0.12 0.02 3.14 2.20 -1.26 -5.07 114.94 112.96 3gxf s ASN 442 Ca 0.63 -0.88 0.23 0.00 -0.94 0.00 0.00 52.86 51.90 3gxf s ASN 442 Cb -0.87 0.78 0.16 0.00 -2.00 0.00 0.00 41.25 39.32 3gxf s ASN 442 CO 0.57 -1.51 1.15 0.47 -2.94 0.00 0.00 177.10 174.84 3gxf n ASP 443 N -0.96 0.66 -4.86 3.54 8.00 -1.26 -4.99 116.55 116.67 3gxf n ASP 443 Ca -0.06 -0.40 -0.31 0.00 0.71 0.00 0.00 54.79 54.73 3gxf n ASP 443 Cb 0.59 0.62 0.03 0.00 -0.02 0.00 0.00 41.12 42.34 3gxf n ASP 443 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gxf s LEU 444 N -3.38 3.13 -0.21 0.64 1.43 -1.26 -4.72 118.68 114.31 3gxf s LEU 444 Ca 0.07 1.39 -0.04 0.00 -1.03 0.00 0.00 54.13 54.53 3gxf s LEU 444 Cb 0.16 -4.35 -0.01 0.00 0.03 0.00 0.00 46.19 42.02 3gxf s LEU 444 CO 0.78 -1.08 -0.05 -1.81 0.23 0.00 0.00 176.35 174.42 3gxf s ASP 445 N -4.15 4.27 0.02 2.29 1.01 -0.68 -5.00 116.67 114.43 3gxf s ASP 445 Ca 0.56 -0.39 0.03 0.00 0.71 0.00 0.00 52.55 53.47 3gxf s ASP 445 Cb -0.12 -1.73 -0.02 0.00 1.01 0.00 0.00 42.92 42.07 3gxf s ASP 445 CO 0.54 -0.00 -0.10 0.00 0.21 0.00 0.00 175.17 175.81 3gxf s ALA 446 N 1.38 0.84 -0.02 5.23 0.00 -1.26 -1.54 121.76 126.39 3gxf s ALA 446 Ca 0.05 -0.63 -0.03 0.00 0.00 0.00 0.00 51.96 51.35 3gxf s ALA 446 Cb -0.14 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.86 3gxf s ALA 446 CO -0.03 0.14 0.07 0.54 0.00 0.00 0.00 175.76 176.48 3gxf s VAL 447 N -0.71 0.02 -0.01 0.00 0.11 -1.01 -5.02 120.40 113.77 3gxf s VAL 447 Ca -0.00 -0.15 0.06 0.00 -2.93 0.00 0.00 61.98 58.95 3gxf s VAL 447 Cb -0.06 -0.15 -0.03 0.00 -1.53 0.00 0.00 36.38 34.61 3gxf s VAL 447 CO 0.00 -0.08 -0.19 0.00 -3.33 0.00 0.00 175.10 171.50 3gxf s ALA 448 N -0.24 2.49 0.11 1.54 0.00 -1.26 -1.36 121.76 123.03 3gxf s ALA 448 Ca -0.03 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 50.82 3gxf s ALA 448 Cb -0.02 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 3gxf s ALA 448 CO 0.00 0.55 0.05 -0.51 0.00 0.00 0.00 175.76 175.85 3gxf s LEU 449 N -0.92 1.92 -0.11 0.00 1.02 0.47 -2.26 118.68 118.79 3gxf s LEU 449 Ca 0.12 -1.13 0.02 0.00 0.02 0.00 0.00 54.13 53.16 3gxf s LEU 449 Cb -0.10 0.32 -0.01 0.00 0.02 0.00 0.00 46.19 46.42 3gxf s LEU 449 CO 0.01 -0.70 -0.19 -0.04 0.02 0.00 0.00 176.35 175.45 3gxf s MET 450 N -4.01 3.14 0.74 1.70 -1.94 0.11 -1.63 119.30 117.41 3gxf s MET 450 Ca 0.19 -0.80 -0.15 0.00 -1.71 0.00 0.00 55.69 53.22 3gxf s MET 450 Cb 0.07 -2.43 0.02 0.00 2.01 0.00 0.00 34.83 34.51 3gxf s MET 450 CO -0.01 0.22 1.06 0.72 -0.01 0.00 0.00 175.02 176.99 3gxf n HIS 451 N 3.45 0.95 -0.34 -0.03 8.25 -0.24 -0.60 115.22 126.65 3gxf n HIS 451 Ca -0.18 0.40 0.22 0.00 -0.26 0.00 0.00 57.72 57.89 3gxf n HIS 451 Cb 0.53 -2.11 0.47 0.00 1.12 0.00 0.00 29.99 30.00 3gxf n HIS 451 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3gxf h PRO 452 N -0.33 0.42 -0.09 -0.41 0.11 -1.88 0.80 132.00 130.61 3gxf h PRO 452 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3gxf h PRO 452 Cb 1.32 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3gxf h PRO 452 CO 0.47 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 178.14 3gxf n ASP 453 N -4.78 0.39 0.00 -2.05 5.68 -1.26 -4.89 116.55 109.64 3gxf n ASP 453 Ca 0.28 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.56 3gxf n ASP 453 Cb 0.89 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.81 3gxf n ASP 453 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gxf n GLY 454 N 0.59 0.82 3.88 6.12 0.00 0.27 -5.01 105.19 111.86 3gxf n GLY 454 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3gxf n GLY 454 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gxf s SER 455 N -2.78 5.92 -0.07 1.61 1.04 -1.26 -4.44 113.70 113.71 3gxf s SER 455 Ca 0.00 1.23 -0.04 0.00 0.48 0.00 0.00 55.95 57.63 3gxf s SER 455 Cb 0.00 -2.21 -0.04 0.00 0.10 0.00 0.00 66.02 63.87 3gxf s SER 455 CO 0.00 -1.02 0.09 0.00 0.98 0.00 0.00 173.24 173.29 3gxf s ALA 456 N -3.19 3.66 -0.10 5.32 0.00 0.31 -1.08 121.76 126.67 3gxf s ALA 456 Ca 0.55 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.77 3gxf s ALA 456 Cb -0.11 -1.74 0.02 0.00 0.00 0.00 0.00 23.12 21.29 3gxf s ALA 456 CO 0.52 0.64 -0.11 0.54 0.00 0.00 0.00 175.76 177.35 3gxf s VAL 457 N -1.06 1.23 -0.14 0.00 0.11 -0.65 -1.71 120.40 118.19 3gxf s VAL 457 Ca 0.18 -0.46 0.02 0.00 -2.93 0.00 0.00 61.98 58.78 3gxf s VAL 457 Cb -0.12 -1.17 0.01 0.00 -1.53 0.00 0.00 36.38 33.57 3gxf s VAL 457 CO 0.07 0.39 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.34 3gxf s VAL 458 N 1.23 1.93 -0.13 2.04 1.01 0.15 -0.39 120.40 126.25 3gxf s VAL 458 Ca -0.03 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 3gxf s VAL 458 Cb -0.14 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 3gxf s VAL 458 CO -0.04 0.52 0.20 -0.69 0.00 0.00 0.00 175.10 175.10 3gxf s VAL 459 N 0.94 5.38 -0.17 2.92 1.01 -0.47 -0.24 120.40 129.78 3gxf s VAL 459 Ca -0.05 0.36 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 3gxf s VAL 459 Cb -0.15 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 32.78 3gxf s VAL 459 CO -0.04 0.54 -0.02 -0.69 0.00 0.00 0.00 175.10 174.89 3gxf s VAL 460 N -0.49 0.88 -0.16 2.92 1.01 0.28 -2.41 120.40 122.43 3gxf s VAL 460 Ca 0.15 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 3gxf s VAL 460 Cb -0.13 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 3gxf s VAL 460 CO 0.04 0.02 0.40 -0.22 0.00 0.00 0.00 175.10 175.33 3gxf s LEU 461 N 1.72 4.22 -0.36 3.92 2.96 -0.59 -0.64 118.68 129.93 3gxf s LEU 461 Ca 0.00 0.62 -0.02 0.00 -0.22 0.00 0.00 54.13 54.51 3gxf s LEU 461 Cb -0.16 -2.54 0.08 0.00 0.50 0.00 0.00 46.19 44.07 3gxf s LEU 461 CO -0.07 0.00 0.10 0.21 -1.32 0.00 0.00 176.35 175.27 3gxf s ASN 462 N 0.72 5.07 0.00 3.68 3.84 -0.73 -1.68 114.94 125.84 3gxf s ASN 462 Ca 0.21 -1.69 0.27 0.00 0.21 0.00 0.00 52.86 51.86 3gxf s ASN 462 Cb -0.14 -1.77 0.81 0.00 -0.55 0.00 0.00 41.25 39.60 3gxf s ASN 462 CO 0.07 -0.40 1.61 0.54 -2.79 0.00 0.00 177.10 176.13 3gxf n ARG 463 N 4.59 1.71 -3.25 0.43 1.74 -1.26 -1.67 116.66 118.95 3gxf n ARG 463 Ca -0.07 -1.12 -0.18 0.00 -0.77 0.00 0.00 57.85 55.71 3gxf n ARG 463 Cb 0.42 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 3gxf n ARG 463 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gxf s SER 464 N -2.06 5.78 0.00 0.55 1.04 -1.26 -4.75 113.70 113.00 3gxf s SER 464 Ca 0.34 -0.32 0.29 0.00 0.48 0.00 0.00 55.95 56.74 3gxf s SER 464 Cb 0.21 -0.93 1.25 0.00 0.10 0.00 0.00 66.02 66.65 3gxf s SER 464 CO 0.35 -0.60 1.93 -1.54 0.98 0.00 0.00 173.24 174.36 3gxf n SER 465 N -1.74 0.03 -4.84 7.02 3.41 -1.26 -0.42 113.62 115.83 3gxf n SER 465 Ca 0.04 0.37 -0.36 0.00 -0.26 0.00 0.00 58.87 58.65 3gxf n SER 465 Cb 0.59 -0.43 -0.07 0.00 -0.26 0.00 0.00 64.21 64.04 3gxf n SER 465 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gxf s LYS 466 N -2.93 3.67 0.12 4.33 1.02 -1.26 -4.35 119.74 120.33 3gxf s LYS 466 Ca 0.16 -0.14 -0.31 0.00 0.02 0.00 0.00 55.97 55.70 3gxf s LYS 466 Cb 0.19 -3.26 -0.08 0.00 -0.52 0.00 0.00 37.83 34.16 3gxf s LYS 466 CO 0.53 0.64 1.45 -0.51 -0.92 0.00 0.00 175.35 176.53 3gxf s ASP 467 N -0.63 6.75 -0.34 2.83 1.11 -1.26 -3.38 116.67 121.75 3gxf s ASP 467 Ca 0.13 2.39 -0.07 0.00 0.18 0.00 0.00 52.55 55.19 3gxf s ASP 467 Cb -0.12 -2.59 0.04 0.00 1.07 0.00 0.00 42.92 41.32 3gxf s ASP 467 CO 0.03 -0.71 0.12 -0.69 1.18 0.00 0.00 175.17 175.09 3gxf s VAL 468 N 1.27 3.90 0.23 -1.27 1.01 0.35 -4.91 120.40 120.98 3gxf s VAL 468 Ca 0.66 -1.09 -0.32 0.00 0.00 0.00 0.00 61.98 61.24 3gxf s VAL 468 Cb -0.38 -3.20 -0.12 0.00 0.00 0.00 0.00 36.38 32.67 3gxf s VAL 468 CO 0.30 -0.18 1.66 -2.65 0.00 0.00 0.00 175.10 174.23 3gxf n PRO 469 N 4.84 2.67 -4.20 2.72 -0.02 -1.26 -0.43 135.00 139.32 3gxf n PRO 469 Ca -0.12 0.96 -0.16 0.00 -2.02 0.00 0.00 63.50 62.15 3gxf n PRO 469 Cb 0.45 -2.77 -0.14 0.00 -0.02 0.00 0.00 33.50 31.02 3gxf n PRO 469 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3gxf s LEU 470 N 0.56 2.08 -0.05 2.45 2.96 -0.97 -3.84 118.68 121.87 3gxf s LEU 470 Ca 0.71 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 54.43 3gxf s LEU 470 Cb -0.52 -0.32 -0.00 0.00 0.50 0.00 0.00 46.19 45.84 3gxf s LEU 470 CO 0.39 0.01 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.35 3gxf s THR 471 N -0.48 1.57 -0.21 3.68 2.01 -0.46 -1.24 115.64 120.51 3gxf s THR 471 Ca -0.00 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.18 3gxf s THR 471 Cb -0.05 -1.34 -0.00 0.00 0.01 0.00 0.00 72.50 71.12 3gxf s THR 471 CO 0.00 0.45 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.66 3gxf s ILE 472 N -0.00 3.02 -0.19 1.82 1.01 -0.73 -0.82 121.20 125.31 3gxf s ILE 472 Ca -0.04 -0.62 -0.11 0.00 0.00 0.00 0.00 60.65 59.89 3gxf s ILE 472 Cb -0.12 -2.36 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 3gxf s ILE 472 CO 0.03 0.45 0.16 -0.75 0.00 0.00 0.00 174.94 174.82 3gxf s LYS 473 N 1.43 4.17 -0.29 2.79 2.20 0.10 -1.00 119.74 129.14 3gxf s LYS 473 Ca 0.06 -0.16 -0.06 0.00 -0.36 0.00 0.00 55.97 55.44 3gxf s LYS 473 Cb -0.14 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.78 3gxf s LYS 473 CO -0.06 0.31 0.07 0.34 -0.36 0.00 0.00 175.35 175.65 3gxf s ASP 474 N 0.32 5.06 0.44 1.43 -1.08 -0.10 -0.61 116.67 122.14 3gxf s ASP 474 Ca 0.10 -0.74 0.25 0.00 -0.52 0.00 0.00 52.55 51.64 3gxf s ASP 474 Cb -0.11 -1.86 1.28 0.00 -1.46 0.00 0.00 42.92 40.76 3gxf s ASP 474 CO -0.01 -0.19 1.76 -0.65 0.52 0.00 0.00 175.17 176.60 3gxf h PRO 475 N 8.21 0.23 -0.00 4.34 0.11 -1.83 0.57 132.00 143.63 3gxf h PRO 475 Ca -0.31 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3gxf h PRO 475 Cb 1.12 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3gxf h PRO 475 CO 0.60 0.15 -0.32 0.00 -0.21 0.00 0.00 178.00 178.22 3gxf n ALA 476 N -2.57 3.18 0.00 -0.75 0.00 -1.26 -4.57 120.51 114.55 3gxf n ALA 476 Ca 0.27 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3gxf n ALA 476 Cb 1.07 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 19.33 3gxf n ALA 476 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gxf n VAL 477 N -1.15 0.00 0.00 0.00 0.31 -0.59 -4.99 118.33 111.91 3gxf n VAL 477 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3gxf n VAL 477 Cb 0.33 -0.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 3gxf n VAL 477 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gxf n GLY 478 N 2.02 0.71 3.49 2.92 0.00 0.19 -4.70 105.19 109.81 3gxf n GLY 478 Ca 0.00 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 43.99 3gxf n GLY 478 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxf s PHE 479 N -3.38 2.97 -0.50 1.61 0.40 0.21 -0.92 117.98 118.36 3gxf s PHE 479 Ca 0.00 -0.31 -0.12 0.00 -0.60 0.00 0.00 56.93 55.90 3gxf s PHE 479 Cb 0.00 -1.89 0.12 0.00 0.51 0.00 0.00 43.02 41.76 3gxf s PHE 479 CO 0.00 -0.00 0.40 -1.17 0.70 0.00 0.00 175.22 175.15 3gxf s LEU 480 N 0.15 5.88 -0.02 -0.37 0.20 -0.17 0.04 118.68 124.39 3gxf s LEU 480 Ca -0.03 -1.88 -0.30 0.00 0.69 0.00 0.00 54.13 52.62 3gxf s LEU 480 Cb -0.14 -2.08 -0.03 0.00 -0.43 0.00 0.00 46.19 43.51 3gxf s LEU 480 CO 0.03 -0.75 1.01 -1.61 -0.29 0.00 0.00 176.35 174.74 3gxf s GLU 481 N 1.44 4.51 0.04 1.98 0.41 -1.26 -1.78 118.70 124.03 3gxf s GLU 481 Ca 0.05 1.46 -0.00 0.00 -0.41 0.00 0.00 54.97 56.06 3gxf s GLU 481 Cb -0.27 -3.47 0.00 0.00 -1.78 0.00 0.00 34.13 28.60 3gxf s GLU 481 CO 0.01 -0.14 0.05 -2.37 -0.49 0.00 0.00 175.26 172.31 3gxf n THR 482 N 4.07 0.00 -3.69 3.63 5.66 -0.37 -5.02 114.28 118.56 3gxf n THR 482 Ca 0.07 -0.18 -0.10 0.00 -3.05 0.00 0.00 64.05 60.79 3gxf n THR 482 Cb 0.50 0.11 -0.11 0.00 -1.55 0.00 0.00 70.33 69.28 3gxf n THR 482 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3gxf s ILE 483 N -2.49 -0.11 -0.61 1.09 1.01 -1.26 -2.28 121.20 116.55 3gxf s ILE 483 Ca 0.03 0.11 -0.19 0.00 0.00 0.00 0.00 60.65 60.61 3gxf s ILE 483 Cb -0.00 -0.59 0.11 0.00 0.01 0.00 0.00 42.46 41.99 3gxf s ILE 483 CO 0.02 0.05 0.72 -0.55 0.00 0.00 0.00 174.94 175.18 3gxf s SER 484 N 1.57 6.20 1.12 3.58 0.15 0.43 -4.91 113.70 121.85 3gxf s SER 484 Ca -0.08 -1.47 -0.13 0.00 0.70 0.00 0.00 55.95 54.97 3gxf s SER 484 Cb -0.09 -2.31 0.26 0.00 -1.71 0.00 0.00 66.02 62.17 3gxf s SER 484 CO -0.12 -1.11 1.05 -2.84 1.20 0.00 0.00 173.24 171.41 3gxf s PRO 485 N 2.67 -0.59 0.44 5.44 0.02 -1.26 -0.49 135.00 141.23 3gxf s PRO 485 Ca 0.12 0.66 -0.24 0.00 0.02 0.00 0.00 61.00 61.57 3gxf s PRO 485 Cb -0.23 -1.61 -0.08 0.00 0.02 0.00 0.00 34.50 32.60 3gxf s PRO 485 CO 0.06 -3.45 1.18 0.20 -0.33 0.00 0.00 177.00 174.65 3gxf s GLY 486 N -2.87 2.81 -1.28 0.52 0.00 -1.22 -3.46 107.32 101.82 3gxf s GLY 486 Ca 0.67 0.97 -0.04 0.00 0.00 0.00 0.00 44.72 46.33 3gxf s GLY 486 CO 0.62 1.46 0.68 -1.72 0.00 0.00 0.00 173.10 174.14 3gxf n TYR 487 N -0.33 -1.90 -4.33 1.90 0.53 0.44 -4.74 117.16 108.73 3gxf n TYR 487 Ca 0.06 0.76 -0.17 0.00 -1.02 0.00 0.00 57.90 57.54 3gxf n TYR 487 Cb 0.47 -4.12 -0.10 0.00 -1.03 0.00 0.00 39.34 34.56 3gxf n TYR 487 CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 3gxf s SER 488 N -4.16 1.42 -0.03 7.72 1.04 -0.91 -1.51 113.70 117.28 3gxf s SER 488 Ca 0.11 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.19 3gxf s SER 488 Cb -0.03 0.11 0.03 0.00 0.10 0.00 0.00 66.02 66.22 3gxf s SER 488 CO 0.83 -0.69 0.01 -0.51 0.98 0.00 0.00 173.24 173.86 3gxf s ILE 489 N -3.65 0.12 0.04 -1.02 2.07 -0.74 -1.77 121.20 116.26 3gxf s ILE 489 Ca 0.36 0.10 0.06 0.00 -1.41 0.00 0.00 60.65 59.77 3gxf s ILE 489 Cb 0.08 -0.22 -0.03 0.00 0.13 0.00 0.00 42.46 42.41 3gxf s ILE 489 CO 0.13 0.12 -0.15 -1.00 -1.91 0.00 0.00 174.94 172.14 3gxf s HIS 490 N 0.96 2.65 -0.16 3.50 3.76 0.19 -2.17 115.29 124.01 3gxf s HIS 490 Ca -0.09 -0.20 0.01 0.00 -0.15 0.00 0.00 55.06 54.63 3gxf s HIS 490 Cb -0.13 -1.49 0.02 0.00 1.11 0.00 0.00 32.58 32.10 3gxf s HIS 490 CO -0.02 0.30 -0.18 0.99 -0.85 0.00 0.00 174.74 174.98 3gxf s THR 491 N -0.98 1.88 -0.17 1.30 2.01 -0.17 -0.56 115.64 118.95 3gxf s THR 491 Ca 0.16 -0.83 -0.08 0.00 0.31 0.00 0.00 61.69 61.25 3gxf s THR 491 Cb -0.11 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 3gxf s THR 491 CO 0.07 0.51 0.09 -0.31 -0.69 0.00 0.00 174.62 174.29 3gxf s TYR 492 N 1.29 3.34 -0.07 4.92 1.51 0.67 -1.21 117.35 127.80 3gxf s TYR 492 Ca 0.03 0.21 0.03 0.00 -1.01 0.00 0.00 57.07 56.34 3gxf s TYR 492 Cb -0.13 -2.07 0.01 0.00 -0.11 0.00 0.00 41.96 39.65 3gxf s TYR 492 CO -0.11 0.28 -0.17 -0.51 -1.11 0.00 0.00 175.55 173.94 3gxf s LEU 493 N 0.13 1.83 -0.00 -1.29 1.02 0.38 -0.67 118.68 120.08 3gxf s LEU 493 Ca 0.07 -0.38 -0.13 0.00 0.02 0.00 0.00 54.13 53.71 3gxf s LEU 493 Cb -0.12 -1.02 0.02 0.00 0.02 0.00 0.00 46.19 45.09 3gxf s LEU 493 CO -0.00 0.10 0.26 -1.66 0.02 0.00 0.00 176.35 175.07 3gxf s TRP 494 N 0.42 -0.11 0.37 0.29 -2.14 -0.69 -0.46 118.94 116.61 3gxf s TRP 494 Ca -0.13 0.12 -0.26 0.00 2.66 0.00 0.00 56.10 58.49 3gxf s TRP 494 Cb -0.15 0.05 -0.09 0.00 -3.10 0.00 0.00 33.47 30.18 3gxf s TRP 494 CO 0.05 -0.37 1.15 -1.01 -2.66 0.00 0.00 176.95 174.11 3gxf s HIS 495 N -1.46 3.20 -0.43 1.66 3.76 -1.26 -0.53 115.29 120.24 3gxf s HIS 495 Ca -0.13 1.58 0.23 0.00 -0.15 0.00 0.00 55.06 56.59 3gxf s HIS 495 Cb -0.05 -3.37 -0.05 0.00 1.11 0.00 0.00 32.58 30.21 3gxf s HIS 495 CO 0.03 -1.13 0.91 0.54 -0.85 0.00 0.00 174.74 174.24 3gxf n ARG 496 N 0.39 0.42 0.00 1.40 1.74 -1.26 -4.66 116.66 114.68 3gxf n ARG 496 Ca 0.03 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 3gxf n ARG 496 Cb 0.46 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 3gxf n ARG 496 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11