#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 4.18 0.79 0.00 0.52 -1.24 -4.81 118.95 118.39 3gxf s ARG 2 Ca 0.00 2.43 -0.12 0.00 -0.52 0.00 0.00 55.73 57.53 3gxf s ARG 2 Cb 0.00 -3.42 0.06 0.00 0.52 0.00 0.00 34.95 32.12 3gxf s ARG 2 CO 0.00 -0.73 1.15 -1.25 0.02 0.00 0.00 175.30 174.49 3gxf s PRO 3 N 2.09 2.17 0.30 3.54 0.04 -1.26 -0.84 135.00 141.04 3gxf s PRO 3 Ca 0.75 0.24 -0.30 0.00 0.04 0.00 0.00 61.00 61.73 3gxf s PRO 3 Cb -0.43 -1.96 -0.12 0.00 0.04 0.00 0.00 34.50 32.03 3gxf s PRO 3 CO 0.33 -1.47 1.59 0.00 0.04 0.00 0.00 177.00 177.48 3gxf s ILE 5 N -0.07 4.63 0.44 0.00 -1.09 -1.26 -5.00 121.20 118.86 3gxf s ILE 5 Ca 0.63 -0.60 -0.21 0.00 -2.23 0.00 0.00 60.65 58.25 3gxf s ILE 5 Cb -0.50 -4.52 -0.10 0.00 -1.58 0.00 0.00 42.46 35.76 3gxf s ILE 5 CO 0.49 -1.18 0.97 -2.16 -1.23 0.00 0.00 174.94 171.83 3gxf s PRO 6 N 3.22 4.14 -0.02 2.79 0.04 -1.26 -1.10 135.00 142.82 3gxf s PRO 6 Ca 0.17 1.14 -0.04 0.00 0.04 0.00 0.00 61.00 62.32 3gxf s PRO 6 Cb -0.20 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.18 3gxf s PRO 6 CO 0.09 -0.11 0.09 0.21 0.04 0.00 0.00 177.00 177.32 3gxf s LYS 7 N -3.25 0.24 0.09 4.56 2.20 -0.76 -4.91 119.74 117.91 3gxf s LYS 7 Ca 0.63 -0.12 0.06 0.00 -0.36 0.00 0.00 55.97 56.18 3gxf s LYS 7 Cb -0.10 0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.28 3gxf s LYS 7 CO 0.15 -0.05 -0.07 0.45 -0.36 0.00 0.00 175.35 175.47 3gxf s SER 8 N -0.56 4.56 -0.07 1.43 0.15 -1.26 -0.71 113.70 117.25 3gxf s SER 8 Ca -0.06 -0.32 0.13 0.00 0.70 0.00 0.00 55.95 56.40 3gxf s SER 8 Cb -0.04 -0.94 0.25 0.00 -1.71 0.00 0.00 66.02 63.58 3gxf s SER 8 CO 0.00 0.19 1.12 0.49 1.20 0.00 0.00 173.24 176.24 3gxf n PHE 9 N 0.74 0.00 -0.46 3.44 3.01 -1.26 -4.98 117.46 117.94 3gxf n PHE 9 Ca -0.13 -0.62 0.00 0.00 1.01 0.00 0.00 57.45 57.71 3gxf n PHE 9 Cb 0.52 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.86 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 -0.39 0.77 1.39 1.37 0.00 -1.26 -4.91 105.19 102.16 3gxf n GLY 10 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.45 -2.26 0.26 1.61 4.02 -1.26 -5.01 117.16 112.07 3gxf n TYR 11 Ca 0.00 -0.78 0.08 0.00 -0.01 0.00 0.00 57.90 57.19 3gxf n TYR 11 Cb 0.00 -0.19 0.39 0.00 -0.02 0.00 0.00 39.34 39.53 3gxf n TYR 11 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3gxf n SER 12 N -2.51 0.38 -3.11 7.72 3.41 -1.26 -4.82 113.62 113.43 3gxf n SER 12 Ca 0.04 0.64 -0.10 0.00 -0.26 0.00 0.00 58.87 59.18 3gxf n SER 12 Cb 0.22 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 3gxf n SER 12 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3gxf s SER 13 N -3.71 0.24 0.33 4.04 0.15 -0.89 -4.81 113.70 109.06 3gxf s SER 13 Ca 0.02 -1.20 -0.03 0.00 0.70 0.00 0.00 55.95 55.43 3gxf s SER 13 Cb 0.06 0.78 -0.04 0.00 -1.71 0.00 0.00 66.02 65.11 3gxf s SER 13 CO 0.23 -1.54 0.58 0.68 1.20 0.00 0.00 173.24 174.39 3gxf s VAL 14 N -2.68 5.03 0.31 4.45 -7.23 -1.26 -4.39 120.40 114.63 3gxf s VAL 14 Ca 0.20 -0.07 0.05 0.00 -1.81 0.00 0.00 61.98 60.35 3gxf s VAL 14 Cb -0.04 -3.78 -0.02 0.00 0.56 0.00 0.00 36.38 33.10 3gxf s VAL 14 CO 0.14 -0.45 0.45 0.68 -0.31 0.00 0.00 175.10 175.60 3gxf s VAL 15 N -2.23 4.51 -0.19 1.32 -7.23 0.12 -4.51 120.40 112.19 3gxf s VAL 15 Ca 0.43 -0.95 -0.07 0.00 -1.81 0.00 0.00 61.98 59.59 3gxf s VAL 15 Cb -0.10 -3.58 -0.04 0.00 0.56 0.00 0.00 36.38 33.22 3gxf s VAL 15 CO 0.33 -0.24 0.05 0.00 -0.31 0.00 0.00 175.10 174.94 3gxf s VAL 17 N 0.53 5.30 0.14 0.00 1.01 -0.25 -0.88 120.40 126.25 3gxf s VAL 17 Ca 0.03 0.55 0.07 0.00 0.00 0.00 0.00 61.98 62.63 3gxf s VAL 17 Cb -0.13 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3gxf s VAL 17 CO 0.01 0.41 -0.17 0.00 0.00 0.00 0.00 175.10 175.36 3gxf n ASN 19 N 0.48 0.00 0.15 0.00 0.23 -0.55 -0.28 115.26 115.29 3gxf n ASN 19 Ca -0.15 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 53.97 3gxf n ASN 19 Cb 0.57 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.32 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 1.55 0.75 0.00 -2.53 0.00 -1.91 -3.32 119.26 113.80 3gxf h ALA 20 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3gxf h ALA 20 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3gxf h ALA 20 CO 0.00 0.32 -1.66 0.25 0.00 0.00 0.00 179.25 178.16 3gxf n THR 21 N -3.03 0.16 -4.40 0.00 -2.24 -1.26 -4.11 114.28 99.40 3gxf n THR 21 Ca 0.01 -0.35 -0.19 0.00 -2.27 0.00 0.00 64.05 61.24 3gxf n THR 21 Cb 0.64 0.03 -0.14 0.00 -2.10 0.00 0.00 70.33 68.76 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 -2.82 0.99 -0.27 4.78 5.04 -1.25 -5.14 117.35 118.69 3gxf s TYR 22 Ca -0.05 -0.24 -0.24 0.00 -2.44 0.00 0.00 57.07 54.10 3gxf s TYR 22 Cb 0.08 -0.62 0.08 0.00 0.35 0.00 0.00 41.96 41.85 3gxf s TYR 22 CO 0.55 -0.01 0.78 0.00 -1.34 0.00 0.00 175.55 175.53 3gxf s ASP 24 N 0.54 6.44 0.22 0.00 -4.77 -1.26 -4.76 116.67 113.07 3gxf s ASP 24 Ca -0.01 2.97 -0.15 0.00 -3.30 0.00 0.00 52.55 52.06 3gxf s ASP 24 Cb -0.05 -2.66 0.01 0.00 -1.09 0.00 0.00 42.92 39.13 3gxf s ASP 24 CO -0.03 -0.80 0.49 -0.94 0.70 0.00 0.00 175.17 174.59 3gxf s SER 25 N -0.17 -0.15 0.11 2.11 1.04 -0.02 -4.95 113.70 111.67 3gxf s SER 25 Ca 0.53 -0.72 0.03 0.00 0.48 0.00 0.00 55.95 56.26 3gxf s SER 25 Cb -0.45 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 3gxf s SER 25 CO 0.60 -1.09 0.17 -0.36 0.98 0.00 0.00 173.24 173.53 3gxf s PHE 26 N -3.95 3.31 0.81 5.02 0.40 -0.23 -3.60 117.98 119.76 3gxf s PHE 26 Ca 0.16 0.10 -0.11 0.00 -0.60 0.00 0.00 56.93 56.47 3gxf s PHE 26 Cb -0.01 -1.63 0.08 0.00 0.51 0.00 0.00 43.02 41.98 3gxf s PHE 26 CO 0.03 0.53 1.12 -0.51 0.70 0.00 0.00 175.22 177.09 3gxf s ASP 27 N -2.80 3.95 0.18 1.36 1.01 -1.26 -4.54 116.67 114.56 3gxf s ASP 27 Ca 0.32 2.00 -0.33 0.00 0.71 0.00 0.00 52.55 55.25 3gxf s ASP 27 Cb -0.11 -2.54 -0.15 0.00 1.01 0.00 0.00 42.92 41.12 3gxf s ASP 27 CO 0.25 -2.41 1.34 -2.65 0.21 0.00 0.00 175.17 171.91 3gxf n PRO 28 N -3.67 1.63 -1.87 8.23 -0.02 -1.26 -4.80 135.00 133.24 3gxf n PRO 28 Ca 0.10 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.76 3gxf n PRO 28 Cb 0.52 -2.20 -0.01 0.00 -0.02 0.00 0.00 33.50 31.79 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 -0.06 4.17 0.25 0.52 0.04 -1.26 -5.03 135.00 133.62 3gxf s PRO 29 Ca 0.74 2.49 0.07 0.00 0.04 0.00 0.00 61.00 64.34 3gxf s PRO 29 Cb -0.77 -3.01 -0.05 0.00 0.04 0.00 0.00 34.50 30.71 3gxf s PRO 29 CO 0.48 -0.48 -0.10 0.95 0.04 0.00 0.00 177.00 177.89 3gxf s THR 30 N -0.83 1.73 0.16 1.26 -4.23 -1.26 -5.15 115.64 107.32 3gxf s THR 30 Ca 0.54 -2.18 -0.06 0.00 -1.18 0.00 0.00 61.69 58.82 3gxf s THR 30 Cb -0.45 -2.27 -0.06 0.00 1.34 0.00 0.00 72.50 71.06 3gxf s THR 30 CO 0.57 -0.43 0.42 0.72 -0.54 0.00 0.00 174.62 175.36 3gxf s PHE 31 N -2.97 3.46 0.49 3.99 -0.71 -1.26 -5.07 117.98 115.92 3gxf s PHE 31 Ca 0.27 0.64 -0.20 0.00 -1.04 0.00 0.00 56.93 56.59 3gxf s PHE 31 Cb 0.01 -2.07 -0.08 0.00 -1.21 0.00 0.00 43.02 39.67 3gxf s PHE 31 CO 0.10 0.39 1.05 -1.25 -1.34 0.00 0.00 175.22 174.17 3gxf s PRO 32 N -2.69 3.77 0.53 1.99 0.04 -1.26 -4.98 135.00 132.40 3gxf s PRO 32 Ca 0.43 1.39 -0.22 0.00 0.04 0.00 0.00 61.00 62.63 3gxf s PRO 32 Cb -0.12 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 32.27 3gxf s PRO 32 CO 0.24 -0.46 1.29 0.00 0.04 0.00 0.00 177.00 178.11 3gxf n ALA 33 N -0.97 1.36 -1.59 8.56 0.00 -1.26 -4.51 120.51 122.09 3gxf n ALA 33 Ca 0.09 0.14 -0.48 0.00 0.00 0.00 0.00 53.44 53.19 3gxf n ALA 33 Cb 0.52 -2.31 -0.04 0.00 0.00 0.00 0.00 19.45 17.62 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 -0.73 1.75 0.00 0.00 7.94 -1.26 -1.45 117.00 123.25 3gxf n LEU 34 Ca 0.10 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 3gxf n LEU 34 Cb 0.44 -1.24 0.00 0.00 0.53 0.00 0.00 43.42 43.15 3gxf n LEU 34 CO 0.54 -1.17 0.00 0.61 -1.11 0.00 0.00 177.39 176.26 3gxf n GLY 35 N 2.08 1.08 3.22 -3.96 0.00 -1.26 -5.05 105.19 101.29 3gxf n GLY 35 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 3gxf n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gxf s THR 36 N -2.27 1.21 0.25 2.61 -4.23 -0.53 -0.28 115.64 112.40 3gxf s THR 36 Ca 0.00 -1.71 0.10 0.00 -1.18 0.00 0.00 61.69 58.90 3gxf s THR 36 Cb 0.00 -1.49 -0.04 0.00 1.34 0.00 0.00 72.50 72.30 3gxf s THR 36 CO 0.00 -0.47 -0.08 0.72 -0.54 0.00 0.00 174.62 174.25 3gxf s PHE 37 N -2.28 2.58 -0.06 3.99 -0.12 -0.64 -4.46 117.98 116.98 3gxf s PHE 37 Ca 0.08 -0.25 -0.05 0.00 -0.05 0.00 0.00 56.93 56.67 3gxf s PHE 37 Cb -0.04 -1.17 -0.04 0.00 -0.63 0.00 0.00 43.02 41.14 3gxf s PHE 37 CO 0.02 0.62 0.15 -1.12 -0.05 0.00 0.00 175.22 174.83 3gxf s SER 38 N -3.42 6.29 -0.05 1.98 0.01 0.12 -2.39 113.70 116.24 3gxf s SER 38 Ca 0.29 0.38 0.03 0.00 1.31 0.00 0.00 55.95 57.97 3gxf s SER 38 Cb -0.07 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.18 3gxf s SER 38 CO 0.17 0.34 -0.13 -0.60 0.41 0.00 0.00 173.24 173.43 3gxf s ARG 39 N -1.46 1.59 -0.14 12.44 3.52 -0.04 -1.87 118.95 133.00 3gxf s ARG 39 Ca 0.21 -0.47 -0.02 0.00 -0.13 0.00 0.00 55.73 55.32 3gxf s ARG 39 Cb -0.12 -1.36 -0.02 0.00 -1.56 0.00 0.00 34.95 31.89 3gxf s ARG 39 CO 0.11 0.13 -0.07 0.71 -0.81 0.00 0.00 175.30 175.36 3gxf s TYR 40 N 0.33 2.94 -0.02 5.12 1.51 0.28 -1.75 117.35 125.75 3gxf s TYR 40 Ca -0.08 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 55.63 3gxf s TYR 40 Cb -0.13 -1.89 -0.01 0.00 -0.11 0.00 0.00 41.96 39.82 3gxf s TYR 40 CO 0.03 -0.07 -0.15 -2.00 -1.11 0.00 0.00 175.55 172.25 3gxf s GLU 41 N 0.25 1.29 -0.01 -0.62 2.12 -0.57 -1.52 118.70 119.64 3gxf s GLU 41 Ca -0.05 -0.52 0.04 0.00 0.36 0.00 0.00 54.97 54.80 3gxf s GLU 41 Cb -0.15 -1.21 -0.01 0.00 0.26 0.00 0.00 34.13 33.03 3gxf s GLU 41 CO 0.04 0.27 -0.12 -1.12 -0.54 0.00 0.00 175.26 173.79 3gxf s SER 42 N -0.19 1.48 0.06 -1.70 0.01 -0.29 -1.47 113.70 111.61 3gxf s SER 42 Ca 0.02 -0.23 0.03 0.00 1.31 0.00 0.00 55.95 57.09 3gxf s SER 42 Cb -0.07 -0.21 -0.03 0.00 0.21 0.00 0.00 66.02 65.92 3gxf s SER 42 CO 0.00 0.14 -0.10 0.42 0.41 0.00 0.00 173.24 174.11 3gxf s THR 43 N -0.21 0.80 0.47 1.44 -4.23 -0.79 -0.82 115.64 112.29 3gxf s THR 43 Ca 0.03 -1.28 0.26 0.00 -1.18 0.00 0.00 61.69 59.52 3gxf s THR 43 Cb -0.06 -0.93 0.45 0.00 1.34 0.00 0.00 72.50 73.31 3gxf s THR 43 CO -0.00 -0.38 1.81 -0.09 -0.54 0.00 0.00 174.62 175.42 3gxf h ARG 44 N 4.21 0.20 0.00 3.99 2.43 -1.65 -1.32 114.38 122.25 3gxf h ARG 44 Ca -0.38 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3gxf h ARG 44 Cb 1.19 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3gxf h ARG 44 CO 0.43 0.13 0.00 0.66 -1.51 0.00 0.00 179.97 179.69 3gxf h SER 45 N 0.21 0.00 0.00 -3.80 4.64 -1.89 -3.42 113.55 109.28 3gxf h SER 45 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3gxf h SER 45 Cb 1.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.81 3gxf h SER 45 CO -0.15 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.42 3gxf n GLY 46 N 0.50 -0.75 3.74 -0.77 0.00 -0.50 -5.00 105.19 102.40 3gxf n GLY 46 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 4.52 -0.33 1.61 0.52 -1.23 -4.89 118.95 119.15 3gxf s ARG 47 Ca 0.00 1.80 0.01 0.00 -0.52 0.00 0.00 55.73 57.02 3gxf s ARG 47 Cb 0.00 -3.27 0.10 0.00 0.52 0.00 0.00 34.95 32.31 3gxf s ARG 47 CO 0.00 -0.04 0.09 1.03 0.02 0.00 0.00 175.30 176.40 3gxf s ARG 48 N -0.15 1.06 -1.41 3.54 1.81 -1.25 -1.89 118.95 120.64 3gxf s ARG 48 Ca 0.52 -1.47 -0.10 0.00 -1.72 0.00 0.00 55.73 52.96 3gxf s ARG 48 Cb -0.31 -2.49 0.01 0.00 -0.45 0.00 0.00 34.95 31.71 3gxf s ARG 48 CO 0.35 -0.98 0.30 -1.33 -0.68 0.00 0.00 175.30 172.96 3gxf n MET 49 N 4.51 -1.24 -2.84 3.54 2.81 -0.63 -4.89 117.12 118.38 3gxf n MET 49 Ca 0.01 0.17 -0.41 0.00 -1.81 0.00 0.00 57.70 55.66 3gxf n MET 49 Cb 0.41 -3.53 -0.04 0.00 -0.71 0.00 0.00 33.22 29.35 3gxf n MET 49 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3gxf s GLU 50 N -7.16 4.54 -0.04 0.03 2.12 -0.54 -4.68 118.70 112.98 3gxf s GLU 50 Ca 0.15 1.23 -0.24 0.00 0.36 0.00 0.00 54.97 56.48 3gxf s GLU 50 Cb -0.08 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 3gxf s GLU 50 CO 0.96 0.09 0.72 -1.17 -0.54 0.00 0.00 175.26 175.32 3gxf s LEU 51 N 0.56 4.35 0.32 2.70 2.96 -1.26 -1.52 118.68 126.80 3gxf s LEU 51 Ca 0.45 1.26 0.05 0.00 -0.22 0.00 0.00 54.13 55.67 3gxf s LEU 51 Cb -0.21 -3.12 -0.03 0.00 0.50 0.00 0.00 46.19 43.33 3gxf s LEU 51 CO 0.25 -0.08 0.22 -0.94 -1.32 0.00 0.00 176.35 174.48 3gxf s SER 52 N 0.59 1.58 0.05 3.68 1.04 -0.72 -5.02 113.70 114.89 3gxf s SER 52 Ca 0.38 -1.67 -0.05 0.00 0.48 0.00 0.00 55.95 55.09 3gxf s SER 52 Cb -0.18 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.43 3gxf s SER 52 CO 0.19 -0.99 0.10 -0.32 0.98 0.00 0.00 173.24 173.20 3gxf s MET 53 N -3.63 0.64 0.30 4.02 1.75 -1.26 -0.86 119.30 120.26 3gxf s MET 53 Ca 0.38 -0.85 -0.11 0.00 -1.25 0.00 0.00 55.69 53.86 3gxf s MET 53 Cb 0.03 0.25 0.01 0.00 2.84 0.00 0.00 34.83 37.96 3gxf s MET 53 CO 0.22 -0.16 0.55 0.20 -0.65 0.00 0.00 175.02 175.18 3gxf s GLY 54 N -2.35 0.75 0.44 2.11 0.00 -1.01 -4.99 107.32 102.28 3gxf s GLY 54 Ca -0.02 -1.01 -0.20 0.00 0.00 0.00 0.00 44.72 43.49 3gxf s GLY 54 CO -0.06 -0.65 0.95 2.56 0.00 0.00 0.00 173.10 175.90 3gxf s PRO 55 N -3.40 4.18 -0.32 2.90 0.04 -1.26 -1.62 135.00 135.53 3gxf s PRO 55 Ca 0.23 1.08 -0.18 0.00 0.04 0.00 0.00 61.00 62.17 3gxf s PRO 55 Cb -0.02 -2.18 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 3gxf s PRO 55 CO 0.13 -0.06 0.51 0.42 0.04 0.00 0.00 177.00 178.04 3gxf s ILE 56 N -2.24 5.04 0.25 0.56 1.01 0.62 -4.63 121.20 121.81 3gxf s ILE 56 Ca 0.61 0.53 -0.25 0.00 0.00 0.00 0.00 60.65 61.54 3gxf s ILE 56 Cb -0.09 -3.91 -0.09 0.00 0.01 0.00 0.00 42.46 38.38 3gxf s ILE 56 CO 0.16 -0.10 0.87 -1.10 0.00 0.00 0.00 174.94 174.76 3gxf s GLN 57 N 2.36 4.57 0.45 2.79 -1.52 0.06 -4.77 119.66 123.61 3gxf s GLN 57 Ca 0.19 1.24 0.22 0.00 -1.95 0.00 0.00 55.36 55.06 3gxf s GLN 57 Cb -0.15 -3.01 1.06 0.00 -0.22 0.00 0.00 33.01 30.69 3gxf s GLN 57 CO 0.12 0.41 1.92 0.00 -0.25 0.00 0.00 175.29 177.49 3gxf h ALA 58 N 3.66 1.24 -4.23 6.09 0.00 -1.87 0.35 119.26 124.49 3gxf h ALA 58 Ca -0.47 -0.22 -0.60 0.00 0.00 0.00 0.00 54.91 53.63 3gxf h ALA 58 Cb 1.20 -0.04 -0.30 0.00 0.00 0.00 0.00 17.79 18.65 3gxf h ALA 58 CO 0.66 0.30 -0.85 -0.80 0.00 0.00 0.00 179.25 178.55 3gxf s ASN 59 N -6.42 2.38 -0.04 0.00 -0.87 -1.26 -4.74 114.94 103.98 3gxf s ASN 59 Ca -0.02 -0.38 0.01 0.00 -1.57 0.00 0.00 52.86 50.90 3gxf s ASN 59 Cb 0.13 -0.41 0.02 0.00 -0.02 0.00 0.00 41.25 40.97 3gxf s ASN 59 CO 0.65 0.22 -0.03 -2.28 -2.57 0.00 0.00 177.10 173.09 3gxf s HIS 60 N -0.30 0.63 0.15 2.20 5.65 -1.26 -4.88 115.29 117.47 3gxf s HIS 60 Ca 0.03 -0.15 0.07 0.00 0.25 0.00 0.00 55.06 55.27 3gxf s HIS 60 Cb -0.09 -0.61 -0.04 0.00 -1.18 0.00 0.00 32.58 30.65 3gxf s HIS 60 CO 0.00 -0.19 -0.16 0.95 -0.65 0.00 0.00 174.74 174.69 3gxf s THR 61 N 1.06 1.59 0.00 0.89 -4.23 -1.26 -5.13 115.64 108.56 3gxf s THR 61 Ca -0.09 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 3gxf s THR 61 Cb -0.14 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 71.98 3gxf s THR 61 CO -0.01 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 3gxf n GLY 62 N 0.35 1.40 1.83 3.99 0.00 -1.26 -4.95 105.19 106.54 3gxf n GLY 62 Ca -0.14 -1.81 -0.04 0.00 0.00 0.00 0.00 46.02 44.03 3gxf n GLY 62 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gxf n THR 63 N -1.87 1.53 -1.82 2.61 -2.24 -1.26 -5.06 114.28 106.18 3gxf n THR 63 Ca 0.00 -2.92 -0.30 0.00 -2.27 0.00 0.00 64.05 58.57 3gxf n THR 63 Cb 0.00 0.23 0.07 0.00 -2.10 0.00 0.00 70.33 68.54 3gxf n THR 63 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3gxf s GLY 64 N -3.22 1.61 0.14 3.38 0.00 -1.26 -4.99 107.32 102.98 3gxf s GLY 64 Ca 0.38 -0.44 -0.35 0.00 0.00 0.00 0.00 44.72 44.31 3gxf s GLY 64 CO -0.05 -0.01 1.46 -0.10 0.00 0.00 0.00 173.10 174.40 3gxf n LEU 65 N -3.22 2.51 -4.03 0.66 7.94 -1.26 -4.90 117.00 114.69 3gxf n LEU 65 Ca 0.07 1.10 -0.27 0.00 -1.11 0.00 0.00 56.01 55.81 3gxf n LEU 65 Cb 0.58 -1.33 -0.17 0.00 0.53 0.00 0.00 43.42 43.03 3gxf n LEU 65 CO 0.57 -0.62 -0.48 -0.22 -1.11 0.00 0.00 177.39 175.53 3gxf s LEU 66 N 0.68 1.63 -0.30 -1.96 2.96 -1.26 -1.87 118.68 118.55 3gxf s LEU 66 Ca 0.80 -0.37 -0.09 0.00 -0.22 0.00 0.00 54.13 54.24 3gxf s LEU 66 Cb -0.78 -0.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 3gxf s LEU 66 CO 0.43 0.01 0.14 -0.76 -1.32 0.00 0.00 176.35 174.84 3gxf s LEU 67 N 0.97 4.03 -0.24 -0.68 1.43 0.59 0.46 118.68 125.24 3gxf s LEU 67 Ca -0.08 -0.52 -0.10 0.00 -1.03 0.00 0.00 54.13 52.40 3gxf s LEU 67 Cb -0.15 -1.98 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 3gxf s LEU 67 CO -0.01 -0.18 0.14 -0.89 0.23 0.00 0.00 176.35 175.64 3gxf s THR 68 N 1.60 5.12 0.25 5.49 2.01 0.18 -0.72 115.64 129.56 3gxf s THR 68 Ca 0.04 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 3gxf s THR 68 Cb -0.17 -3.38 -0.10 0.00 0.01 0.00 0.00 72.50 68.85 3gxf s THR 68 CO 0.06 0.35 1.50 -0.22 -0.69 0.00 0.00 174.62 175.61 3gxf s LEU 69 N 1.13 4.37 -0.70 4.42 2.96 0.57 -1.20 118.68 130.23 3gxf s LEU 69 Ca 0.07 2.73 0.04 0.00 -0.22 0.00 0.00 54.13 56.75 3gxf s LEU 69 Cb -0.14 -3.62 0.17 0.00 0.50 0.00 0.00 46.19 43.10 3gxf s LEU 69 CO 0.05 -0.78 0.50 -1.10 -1.32 0.00 0.00 176.35 173.70 3gxf s GLN 70 N -0.18 2.50 0.59 1.98 -0.21 -0.42 -4.69 119.66 119.23 3gxf s GLN 70 Ca 0.62 -3.25 0.38 0.00 0.02 0.00 0.00 55.36 53.14 3gxf s GLN 70 Cb -0.44 -3.48 1.88 0.00 1.00 0.00 0.00 33.01 31.97 3gxf s GLN 70 CO 0.43 -1.26 2.15 -1.00 -2.12 0.00 0.00 175.29 173.49 3gxf h PRO 71 N 5.62 0.00 0.00 2.91 0.13 -1.94 -1.19 132.00 137.54 3gxf h PRO 71 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3gxf h PRO 71 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3gxf h PRO 71 CO 0.73 0.00 -0.21 0.39 -0.23 0.00 0.00 178.00 178.68 3gxf n GLU 72 N -3.00 0.15 -3.10 0.86 -0.58 -1.26 -4.51 120.64 109.19 3gxf n GLU 72 Ca -0.01 0.09 -0.45 0.00 -0.42 0.00 0.00 57.16 56.36 3gxf n GLU 72 Cb 0.17 -1.64 -0.03 0.00 -0.57 0.00 0.00 31.44 29.38 3gxf n GLU 72 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3gxf s GLN 73 N -3.07 3.54 -0.04 3.49 -0.21 -0.46 -5.03 119.66 117.88 3gxf s GLN 73 Ca 0.11 -1.98 -0.25 0.00 0.02 0.00 0.00 55.36 53.26 3gxf s GLN 73 Cb 0.15 -4.65 -0.04 0.00 1.00 0.00 0.00 33.01 29.48 3gxf s GLN 73 CO 0.62 -1.56 0.75 0.15 -2.12 0.00 0.00 175.29 173.13 3gxf s LYS 74 N 1.72 4.47 0.00 2.91 -0.14 -1.26 -2.02 119.74 125.41 3gxf s LYS 74 Ca 0.24 1.00 0.00 0.00 -1.36 0.00 0.00 55.97 55.85 3gxf s LYS 74 Cb -0.09 -3.43 0.00 0.00 -1.68 0.00 0.00 37.83 32.63 3gxf s LYS 74 CO -0.07 0.09 0.00 1.19 -0.76 0.00 0.00 175.35 175.80 3gxf n PHE 75 N 3.61 0.00 -2.22 3.18 3.01 -0.01 -5.01 117.46 120.02 3gxf n PHE 75 Ca -0.00 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.10 3gxf n PHE 75 Cb 0.51 0.00 0.01 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 4.98 3.35 0.25 -1.08 0.00 -1.26 -4.55 119.66 121.34 3gxf s GLN 76 Ca 0.00 1.68 -0.23 0.00 -0.00 0.00 0.00 55.36 56.81 3gxf s GLN 76 Cb 0.00 -2.06 -0.09 0.00 0.00 0.00 0.00 33.01 30.87 3gxf s GLN 76 CO 0.00 -0.86 0.81 0.15 0.00 0.00 0.00 175.29 175.39 3gxf s LYS 77 N -3.20 4.42 0.06 9.60 1.02 -1.26 -1.34 119.74 129.05 3gxf s LYS 77 Ca 0.72 1.07 -0.23 0.00 0.02 0.00 0.00 55.97 57.55 3gxf s LYS 77 Cb -0.26 -2.91 -0.06 0.00 -0.52 0.00 0.00 37.83 34.08 3gxf s LYS 77 CO 0.29 0.38 0.70 0.08 -0.92 0.00 0.00 175.35 175.89 3gxf s VAL 78 N -1.49 4.70 -0.16 3.17 1.01 0.38 -4.66 120.40 123.35 3gxf s VAL 78 Ca 0.44 1.50 -0.14 0.00 0.00 0.00 0.00 61.98 63.78 3gxf s VAL 78 Cb -0.18 -4.05 -0.10 0.00 0.00 0.00 0.00 36.38 32.05 3gxf s VAL 78 CO 0.23 0.44 0.04 0.50 0.00 0.00 0.00 175.10 176.31 3gxf h LYS 79 N 5.23 0.00 0.00 2.72 1.63 0.83 0.37 116.57 127.34 3gxf h LYS 79 Ca -0.46 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 3gxf h LYS 79 Cb 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 3gxf h LYS 79 CO 0.69 0.42 0.00 0.41 -3.45 0.00 0.00 179.45 177.52 3gxf n GLY 80 N 1.57 -0.29 3.23 5.01 0.00 -1.18 -4.43 105.19 109.10 3gxf n GLY 80 Ca -0.16 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.70 -0.38 0.00 1.61 0.40 -1.25 -0.74 117.98 113.92 3gxf s PHE 81 Ca 0.00 0.92 0.00 0.00 -0.60 0.00 0.00 56.93 57.25 3gxf s PHE 81 Cb 0.00 0.13 0.00 0.00 0.51 0.00 0.00 43.02 43.66 3gxf s PHE 81 CO 0.00 -0.18 0.00 0.41 0.70 0.00 0.00 175.22 176.15 3gxf n GLY 82 N 2.88 1.27 3.23 4.36 0.00 -0.97 -1.47 105.19 114.51 3gxf n GLY 82 Ca -0.13 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 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 2.26 3.48 -0.02 0.00 -1.14 -0.59 105.19 109.18 3gxf n GLY 83 Ca 0.00 -1.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.82 3.20 -1.39 4.61 0.00 0.40 -1.08 121.76 124.68 3gxf s ALA 84 Ca 0.30 -1.07 -0.15 0.00 0.00 0.00 0.00 51.96 51.04 3gxf s ALA 84 Cb -0.01 -2.07 0.06 0.00 0.00 0.00 0.00 23.12 21.11 3gxf s ALA 84 CO 0.21 -0.39 2.04 -0.12 0.00 0.00 0.00 175.76 177.50 3gxf n MET 85 N 4.73 3.03 -1.90 0.00 1.56 -0.53 -1.59 117.12 122.42 3gxf n MET 85 Ca -0.16 -2.90 -0.29 0.00 -0.27 0.00 0.00 57.70 54.07 3gxf n MET 85 Cb 0.52 -3.31 0.15 0.00 2.15 0.00 0.00 33.22 32.73 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 3.18 1.99 0.15 1.12 -4.23 -1.26 -4.42 115.64 112.17 3gxf s THR 86 Ca 0.48 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.87 3gxf s THR 86 Cb 0.10 -2.99 0.02 0.00 1.34 0.00 0.00 72.50 70.98 3gxf s THR 86 CO -0.03 0.00 1.60 0.44 -0.54 0.00 0.00 174.62 176.09 3gxf h ASP 87 N -1.43 0.89 -0.17 3.99 3.32 -1.90 -1.05 116.42 120.07 3gxf h ASP 87 Ca -0.45 -0.31 0.04 0.00 0.02 0.00 0.00 57.03 56.32 3gxf h ASP 87 Cb 1.27 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 3gxf h ASP 87 CO 0.49 0.99 -0.05 0.00 -1.72 0.00 0.00 179.24 178.94 3gxf h ALA 88 N 0.94 0.10 -0.26 3.45 0.00 -1.61 -1.45 119.26 120.44 3gxf h ALA 88 Ca 0.14 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3gxf h ALA 88 Cb 0.53 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3gxf h ALA 88 CO 0.03 -0.49 0.15 0.00 0.00 0.00 0.00 179.25 178.94 3gxf h ALA 89 N 1.15 0.33 -0.09 0.00 0.00 -1.60 -2.43 119.26 116.62 3gxf h ALA 89 Ca 0.09 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3gxf h ALA 89 Cb 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3gxf h ALA 89 CO -0.19 -0.15 -0.30 0.00 0.00 0.00 0.00 179.25 178.61 3gxf h ALA 90 N 1.03 1.34 -0.10 0.00 0.00 -0.98 -1.49 119.26 119.06 3gxf h ALA 90 Ca 0.09 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3gxf h ALA 90 Cb 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3gxf h ALA 90 CO -0.02 0.47 -0.32 1.25 0.00 0.00 0.00 179.25 180.63 3gxf h LEU 91 N 0.14 0.45 -0.34 0.00 5.85 -1.15 -1.36 115.31 118.91 3gxf h LEU 91 Ca 0.02 -0.61 -0.03 0.00 0.84 0.00 0.00 57.88 58.10 3gxf h LEU 91 Cb 0.61 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3gxf h LEU 91 CO 0.04 0.98 0.09 0.78 -0.34 0.00 0.00 178.44 180.00 3gxf h ASN 92 N -0.05 0.51 -0.34 1.25 2.35 -1.22 -2.47 115.58 115.61 3gxf h ASN 92 Ca -0.01 -0.23 -0.03 0.00 -0.55 0.00 0.00 56.30 55.48 3gxf h ASN 92 Cb 0.94 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 3gxf h ASN 92 CO 0.07 0.60 0.12 -0.29 -1.65 0.00 0.00 177.43 176.28 3gxf h ILE 93 N 0.40 1.18 0.00 2.81 6.09 -1.28 -2.81 117.51 123.90 3gxf h ILE 93 Ca 0.11 -0.62 0.00 0.00 -1.37 0.00 0.00 64.86 62.97 3gxf h ILE 93 Cb 0.29 0.74 0.00 0.00 0.47 0.00 0.00 36.82 38.32 3gxf h ILE 93 CO 0.00 0.23 0.00 0.18 -3.07 0.00 0.00 178.15 175.49 3gxf n LEU 94 N -4.33 0.34 -0.03 2.19 4.77 -0.51 -3.06 117.00 116.37 3gxf n LEU 94 Ca 0.03 0.53 0.14 0.00 -0.03 0.00 0.00 56.01 56.68 3gxf n LEU 94 Cb 0.18 -0.43 0.69 0.00 -2.33 0.00 0.00 43.42 41.54 3gxf n LEU 94 CO 0.38 -0.08 0.96 0.00 -1.33 0.00 0.00 177.39 177.32 3gxf n ALA 95 N -1.62 2.57 -1.98 -1.18 0.00 -0.94 -4.82 120.51 112.55 3gxf n ALA 95 Ca 0.06 -0.17 -0.27 0.00 0.00 0.00 0.00 53.44 53.06 3gxf n ALA 95 Cb 0.38 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.62 2.96 0.58 0.00 1.43 -1.17 -4.92 118.68 114.93 3gxf s LEU 96 Ca 0.26 0.71 -0.16 0.00 -1.03 0.00 0.00 54.13 53.91 3gxf s LEU 96 Cb 0.20 -3.44 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 3gxf s LEU 96 CO 0.48 -1.38 1.05 -0.94 0.23 0.00 0.00 176.35 175.79 3gxf s SER 97 N -4.41 5.91 0.25 2.29 1.04 -1.26 -4.79 113.70 112.74 3gxf s SER 97 Ca 0.58 1.79 -0.10 0.00 0.48 0.00 0.00 55.95 58.70 3gxf s SER 97 Cb -0.11 -2.53 0.38 0.00 0.10 0.00 0.00 66.02 63.86 3gxf s SER 97 CO 0.47 -1.08 1.58 -0.65 0.98 0.00 0.00 173.24 174.54 3gxf h PRO 98 N 0.56 0.00 -1.01 4.02 0.11 -1.95 -1.56 132.00 132.16 3gxf h PRO 98 Ca -0.47 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.67 3gxf h PRO 98 Cb 1.22 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 3gxf h PRO 98 CO 0.58 0.00 0.66 -1.35 -0.21 0.00 0.00 178.00 177.68 3gxf h PRO 99 N 0.00 1.27 -0.23 1.05 0.11 -1.93 -2.21 132.00 130.05 3gxf h PRO 99 Ca 0.42 -0.08 -0.14 0.00 0.11 0.00 0.00 66.00 66.31 3gxf h PRO 99 Cb 0.64 -0.29 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 3gxf h PRO 99 CO -0.89 0.84 -0.43 0.00 -0.21 0.00 0.00 178.00 177.31 3gxf h ALA 100 N 1.40 0.82 -0.73 -0.75 0.00 -1.51 -2.96 119.26 115.53 3gxf h ALA 100 Ca 0.39 -0.45 0.12 0.00 0.00 0.00 0.00 54.91 54.96 3gxf h ALA 100 Cb -0.05 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.56 3gxf h ALA 100 CO -0.11 0.65 0.33 1.96 0.00 0.00 0.00 179.25 182.08 3gxf h GLN 101 N 0.46 0.51 0.00 0.00 4.20 -0.89 -0.50 115.11 118.89 3gxf h GLN 101 Ca 0.03 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 3gxf h GLN 101 Cb 0.94 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 3gxf h GLN 101 CO 0.08 0.34 -0.35 -0.91 -0.67 0.00 0.00 178.83 177.32 3gxf h ASN 102 N 0.53 0.00 0.56 1.46 2.35 -1.25 -1.82 115.58 117.40 3gxf h ASN 102 Ca 0.38 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.87 3gxf h ASN 102 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 3gxf h ASN 102 CO -0.33 0.35 -1.17 -0.07 -1.65 0.00 0.00 177.43 174.57 3gxf h LEU 103 N 0.00 0.45 -0.22 1.61 3.38 -1.36 0.94 115.31 120.12 3gxf h LEU 103 Ca -0.00 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 3gxf h LEU 103 Cb 0.64 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3gxf h LEU 103 CO 0.05 1.32 0.03 0.25 0.09 0.00 0.00 178.44 180.17 3gxf h LEU 104 N 0.11 0.36 -0.86 1.67 6.46 -0.82 -1.39 115.31 120.83 3gxf h LEU 104 Ca -0.12 -0.27 -0.11 0.00 -0.12 0.00 0.00 57.88 57.26 3gxf h LEU 104 Cb 1.87 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 41.69 3gxf h LEU 104 CO 0.19 0.54 -0.51 -0.07 -0.62 0.00 0.00 178.44 177.97 3gxf h LEU 105 N 0.16 0.00 -0.69 2.25 3.38 -1.35 -2.85 115.31 116.21 3gxf h LEU 105 Ca 0.07 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 3gxf h LEU 105 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3gxf h LEU 105 CO 0.01 0.51 -0.36 0.11 0.09 0.00 0.00 178.44 178.80 3gxf h LYS 106 N 0.00 0.60 -0.69 1.13 1.57 -0.70 -0.32 116.57 118.16 3gxf h LYS 106 Ca -0.01 -0.29 0.14 0.00 -1.87 0.00 0.00 60.65 58.63 3gxf h LYS 106 Cb 0.99 -0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.20 3gxf h LYS 106 CO 0.07 0.87 0.18 0.77 -0.57 0.00 0.00 179.45 180.77 3gxf h SER 107 N 0.50 0.05 0.08 0.86 0.02 -1.01 -2.13 113.55 111.91 3gxf h SER 107 Ca 0.05 0.13 -0.13 0.00 -0.84 0.00 0.00 61.79 61.00 3gxf h SER 107 Cb 0.86 0.17 0.01 0.00 0.14 0.00 0.00 62.40 63.57 3gxf h SER 107 CO 0.07 0.00 -0.62 1.88 -1.14 0.00 0.00 176.83 177.02 3gxf h TYR 108 N 0.29 0.29 0.00 3.45 0.99 -1.52 -0.23 116.97 120.25 3gxf h TYR 108 Ca 0.38 -0.21 0.00 0.00 2.00 0.00 0.00 58.73 60.90 3gxf h TYR 108 Cb 0.61 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.33 3gxf h TYR 108 CO -0.24 1.24 -0.94 1.19 -0.00 0.00 0.00 178.16 179.40 3gxf n PHE 109 N -4.30 0.00 -2.71 4.88 3.01 -0.14 -0.83 117.46 117.37 3gxf n PHE 109 Ca -0.15 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.00 3gxf n PHE 109 Cb 0.70 -0.11 -0.03 0.00 -0.01 0.00 0.00 39.48 40.02 3gxf n PHE 109 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3gxf s SER 110 N -2.52 6.58 0.41 4.37 0.15 -0.81 -3.29 113.70 118.59 3gxf s SER 110 Ca 0.00 1.30 0.29 0.00 0.70 0.00 0.00 55.95 58.24 3gxf s SER 110 Cb 0.07 -2.39 1.28 0.00 -1.71 0.00 0.00 66.02 63.27 3gxf s SER 110 CO 0.41 -0.45 1.86 -0.08 1.20 0.00 0.00 173.24 176.18 3gxf h GLU 111 N 1.21 0.00 -0.00 5.44 4.57 -1.85 0.00 114.58 123.95 3gxf h GLU 111 Ca -0.47 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 3gxf h GLU 111 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 3gxf h GLU 111 CO 0.63 0.00 -0.08 0.39 -1.18 0.00 0.00 179.01 178.77 3gxf n GLU 112 N -2.61 0.68 0.00 1.92 -0.58 -1.26 -4.61 120.64 114.18 3gxf n GLU 112 Ca 0.01 -0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 3gxf n GLU 112 Cb 0.22 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 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 2.15 0.35 0.62 0.00 -0.02 -1.06 105.19 108.48 3gxf n GLY 113 Ca 0.15 -0.47 0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 1.91 -2.94 -0.61 -5.35 -0.10 -4.89 119.36 107.38 3gxf n ILE 114 Ca 0.00 -1.99 -0.21 0.00 -0.27 0.00 0.00 62.75 60.28 3gxf n ILE 114 Cb 0.00 -0.15 0.03 0.00 -1.74 0.00 0.00 39.64 37.78 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 -0.99 -0.47 3.65 3.28 0.00 -1.10 -1.88 105.19 107.69 3gxf n GLY 115 Ca 0.16 0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.44 1.87 -1.55 1.61 0.53 -0.01 -4.75 117.16 110.42 3gxf n TYR 116 Ca -0.12 0.61 0.02 0.00 -1.02 0.00 0.00 57.90 57.38 3gxf n TYR 116 Cb 0.62 -2.35 0.02 0.00 -1.03 0.00 0.00 39.34 36.60 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 1.03 0.47 -4.09 7.72 6.94 -0.54 -4.79 115.26 122.01 3gxf n ASN 117 Ca 0.07 -1.97 -0.23 0.00 -0.02 0.00 0.00 54.58 52.44 3gxf n ASN 117 Cb 0.34 -0.18 -0.15 0.00 -2.36 0.00 0.00 39.78 37.42 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 -0.50 1.11 -0.08 1.53 -1.09 -1.01 -0.54 121.20 120.62 3gxf s ILE 118 Ca 0.05 -0.57 -0.00 0.00 -2.23 0.00 0.00 60.65 57.90 3gxf s ILE 118 Cb 0.04 -0.95 0.03 0.00 -1.58 0.00 0.00 42.46 40.00 3gxf s ILE 118 CO 0.00 0.32 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.37 3gxf s ILE 119 N -0.09 0.69 -0.16 2.92 1.01 -0.85 -2.88 121.20 121.85 3gxf s ILE 119 Ca 0.01 -0.10 -0.23 0.00 0.00 0.00 0.00 60.65 60.32 3gxf s ILE 119 Cb -0.08 -0.76 -0.02 0.00 0.01 0.00 0.00 42.46 41.60 3gxf s ILE 119 CO 0.00 0.30 0.74 -0.60 0.00 0.00 0.00 174.94 175.39 3gxf s ARG 120 N 1.67 4.30 -0.28 2.79 3.52 -0.24 -1.67 118.95 129.04 3gxf s ARG 120 Ca 0.02 0.86 -0.04 0.00 -0.13 0.00 0.00 55.73 56.44 3gxf s ARG 120 Cb -0.13 -3.55 0.02 0.00 -1.56 0.00 0.00 34.95 29.74 3gxf s ARG 120 CO -0.05 -0.22 0.02 0.08 -0.81 0.00 0.00 175.30 174.32 3gxf s VAL 121 N 1.78 3.41 0.36 7.11 1.01 0.15 -1.45 120.40 132.76 3gxf s VAL 121 Ca 0.35 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 61.11 3gxf s VAL 121 Cb -0.17 -2.78 -0.11 0.00 0.00 0.00 0.00 36.38 33.32 3gxf s VAL 121 CO 0.13 0.09 1.49 -2.84 0.00 0.00 0.00 175.10 173.97 3gxf s PRO 122 N 1.40 4.13 -0.72 2.72 0.02 -1.26 -2.99 135.00 138.29 3gxf s PRO 122 Ca 0.00 2.54 -0.23 0.00 0.02 0.00 0.00 61.00 63.34 3gxf s PRO 122 Cb -0.17 -2.99 0.07 0.00 0.02 0.00 0.00 34.50 31.43 3gxf s PRO 122 CO -0.01 -0.52 1.05 -1.64 -0.33 0.00 0.00 177.00 175.56 3gxf s MET 123 N -1.76 3.20 3.11 5.54 -1.94 0.13 -4.87 119.30 122.72 3gxf s MET 123 Ca 0.54 -0.87 0.00 0.00 -1.71 0.00 0.00 55.69 53.66 3gxf s MET 123 Cb -0.46 -4.36 0.00 0.00 2.01 0.00 0.00 34.83 32.02 3gxf s MET 123 CO 0.59 -1.88 0.00 0.00 -0.01 0.00 0.00 175.02 173.72 3gxf n ALA 124 N 7.88 0.00 -1.87 3.03 0.00 -1.26 -4.19 120.51 124.10 3gxf n ALA 124 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.15 3gxf n ALA 124 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.91 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 6.41 0.00 0.00 1.04 -1.19 -4.94 113.70 111.02 3gxf s SER 125 Ca 0.00 1.48 0.00 0.00 0.48 0.00 0.00 55.95 57.91 3gxf s SER 125 Cb 0.00 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.64 3gxf s SER 125 CO 0.00 -0.73 0.00 0.00 0.98 0.00 0.00 173.24 173.49 3gxf h ASP 127 N 0.00 0.26 -0.16 0.00 2.03 -1.96 -3.25 116.42 113.34 3gxf h ASP 127 Ca 0.00 -0.05 -0.68 0.00 -0.73 0.00 0.00 57.03 55.57 3gxf h ASP 127 Cb 0.00 -0.07 0.01 0.00 -0.83 0.00 0.00 39.33 38.44 3gxf h ASP 127 CO 0.00 0.38 3.66 0.49 -1.03 0.00 0.00 179.24 182.74 3gxf n PHE 128 N -4.30 2.46 -3.87 4.15 3.01 -1.26 -1.91 117.46 115.73 3gxf n PHE 128 Ca -0.00 -3.06 -0.09 0.00 1.01 0.00 0.00 57.45 55.30 3gxf n PHE 128 Cb 0.25 -2.41 -0.06 0.00 -0.01 0.00 0.00 39.48 37.25 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 1.93 -0.02 -0.04 4.37 0.01 -1.23 -1.66 113.70 117.06 3gxf s SER 129 Ca 0.68 -0.70 0.10 0.00 1.31 0.00 0.00 55.95 57.34 3gxf s SER 129 Cb 0.18 0.45 0.29 0.00 0.21 0.00 0.00 66.02 67.15 3gxf s SER 129 CO -0.07 -0.89 1.24 2.30 0.41 0.00 0.00 173.24 176.24 3gxf n ILE 130 N -0.21 1.28 -3.79 1.44 -5.35 -1.26 -1.55 119.36 109.93 3gxf n ILE 130 Ca -0.10 -1.23 -0.03 0.00 -0.27 0.00 0.00 62.75 61.12 3gxf n ILE 130 Cb 0.63 0.32 0.02 0.00 -1.74 0.00 0.00 39.64 38.87 3gxf n ILE 130 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 3gxf n ARG 131 N 0.06 0.63 -0.55 6.28 1.85 -1.26 -4.96 116.66 118.70 3gxf n ARG 131 Ca 0.12 -1.37 0.05 0.00 -1.00 0.00 0.00 57.85 55.64 3gxf n ARG 131 Cb 0.49 1.82 0.20 0.00 -1.05 0.00 0.00 32.46 33.92 3gxf n ARG 131 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3gxf n THR 132 N -0.58 2.23 -0.70 8.89 -2.24 -1.26 -4.80 114.28 115.82 3gxf n THR 132 Ca -0.03 -2.92 -0.32 0.00 -2.27 0.00 0.00 64.05 58.51 3gxf n THR 132 Cb 0.49 -0.26 0.16 0.00 -2.10 0.00 0.00 70.33 68.63 3gxf n THR 132 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gxf n TYR 133 N -1.15 -1.22 -4.62 4.78 0.18 -1.26 -4.86 117.16 109.01 3gxf n TYR 133 Ca 0.22 0.17 -0.29 0.00 1.88 0.00 0.00 57.90 59.87 3gxf n TYR 133 Cb 0.76 -1.71 -0.07 0.00 -0.38 0.00 0.00 39.34 37.94 3gxf n TYR 133 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 3gxf s THR 134 N -2.36 0.69 -1.31 -3.48 -4.23 -1.26 -3.18 115.64 100.52 3gxf s THR 134 Ca 0.59 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.39 3gxf s THR 134 Cb -0.18 -2.18 0.38 0.00 1.34 0.00 0.00 72.50 71.86 3gxf s THR 134 CO 0.66 0.00 1.93 -1.22 -0.54 0.00 0.00 174.62 175.45 3gxf n TYR 135 N -1.09 0.00 -3.19 3.99 0.53 -1.26 -4.37 117.16 111.77 3gxf n TYR 135 Ca -0.12 0.00 -0.22 0.00 -1.02 0.00 0.00 57.90 56.54 3gxf n TYR 135 Cb 0.65 -0.33 -0.06 0.00 -1.03 0.00 0.00 39.34 38.58 3gxf n TYR 135 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3gxf n ALA 136 N -1.30 2.38 1.30 -0.72 0.00 -1.26 -1.25 120.51 119.66 3gxf n ALA 136 Ca 0.11 -3.45 0.14 0.00 0.00 0.00 0.00 53.44 50.24 3gxf n ALA 136 Cb 0.29 -0.85 0.62 0.00 0.00 0.00 0.00 19.45 19.51 3gxf n ALA 136 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gxf n ASP 137 N 1.05 0.27 -4.63 0.00 8.00 -1.26 -4.72 116.55 115.27 3gxf n ASP 137 Ca 0.23 -0.25 -0.43 0.00 0.71 0.00 0.00 54.79 55.05 3gxf n ASP 137 Cb 0.56 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 3gxf n ASP 137 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3gxf s THR 138 N -2.64 3.35 0.36 -3.53 2.01 -1.26 -4.94 115.64 108.99 3gxf s THR 138 Ca 0.25 0.39 -0.27 0.00 0.31 0.00 0.00 61.69 62.36 3gxf s THR 138 Cb 0.20 -3.37 -0.12 0.00 0.01 0.00 0.00 72.50 69.22 3gxf s THR 138 CO 0.50 -0.16 1.27 -2.65 -0.69 0.00 0.00 174.62 172.89 3gxf n PRO 139 N 8.00 2.06 -1.92 4.92 -0.02 -1.26 -2.78 135.00 144.00 3gxf n PRO 139 Ca 0.22 0.72 -0.14 0.00 -2.02 0.00 0.00 63.50 62.29 3gxf n PRO 139 Cb 0.44 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 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 0.67 -3.94 -3.38 2.55 8.00 -1.26 -4.88 116.55 114.30 3gxf n ASP 140 Ca 0.05 0.25 -0.33 0.00 0.71 0.00 0.00 54.79 55.47 3gxf n ASP 140 Cb 0.37 -3.49 -0.03 0.00 -0.02 0.00 0.00 41.12 37.96 3gxf n ASP 140 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gxf n ASP 141 N -1.21 5.14 0.31 -2.24 2.03 -1.12 -4.69 116.55 114.78 3gxf n ASP 141 Ca -0.15 -2.53 0.20 0.00 0.52 0.00 0.00 54.79 52.83 3gxf n ASP 141 Cb 0.54 -1.28 1.03 0.00 -0.72 0.00 0.00 41.12 40.68 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 6.31 0.00 -0.00 -0.67 -1.00 -1.90 0.24 116.94 119.91 3gxf h PHE 142 Ca 0.58 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.36 3gxf h PHE 142 Cb 0.36 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.92 3gxf h PHE 142 CO 1.72 0.01 -0.12 1.04 -1.61 0.00 0.00 178.31 179.36 3gxf n GLN 143 N -3.21 0.56 -3.91 1.51 1.13 -1.26 -4.79 117.38 107.40 3gxf n GLN 143 Ca -0.02 -0.17 -0.27 0.00 -1.94 0.00 0.00 57.00 54.60 3gxf n GLN 143 Cb 0.14 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.00 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 -1.07 -2.48 -0.02 1.08 4.77 0.84 -4.88 117.00 115.24 3gxf n LEU 144 Ca 0.13 -0.91 -0.10 0.00 -0.03 0.00 0.00 56.01 55.10 3gxf n LEU 144 Cb 0.28 -2.40 0.05 0.00 -2.33 0.00 0.00 43.42 39.02 3gxf n LEU 144 CO 0.25 0.41 0.51 -0.74 -1.33 0.00 0.00 177.39 176.49 3gxf h HIS 145 N -1.85 0.79 -0.84 -1.77 2.76 -1.92 -3.13 115.15 109.20 3gxf h HIS 145 Ca -0.61 -0.26 -0.49 0.00 -2.20 0.00 0.00 60.37 56.81 3gxf h HIS 145 Cb 1.37 -0.16 -0.25 0.00 1.55 0.00 0.00 27.41 29.92 3gxf h HIS 145 CO 0.52 1.01 0.63 0.09 -1.30 0.00 0.00 177.93 178.88 3gxf n ASN 146 N -3.99 5.15 -4.68 3.26 3.02 -1.26 -4.96 115.26 111.79 3gxf n ASN 146 Ca -0.03 -3.44 -0.42 0.00 -0.03 0.00 0.00 54.58 50.66 3gxf n ASN 146 Cb 0.58 -0.87 -0.03 0.00 -0.61 0.00 0.00 39.78 38.85 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 -2.94 3.29 0.13 3.10 5.36 -1.19 -4.63 117.98 121.10 3gxf s PHE 147 Ca 0.50 1.35 -0.20 0.00 -0.96 0.00 0.00 56.93 57.62 3gxf s PHE 147 Cb 0.41 -3.34 0.05 0.00 -0.34 0.00 0.00 43.02 39.80 3gxf s PHE 147 CO 0.05 -0.92 0.49 -1.54 -1.46 0.00 0.00 175.22 171.85 3gxf s SER 148 N 1.36 -0.39 -0.08 6.13 1.04 -0.38 -5.03 113.70 116.35 3gxf s SER 148 Ca 0.52 -0.12 -0.27 0.00 0.48 0.00 0.00 55.95 56.56 3gxf s SER 148 Cb -0.22 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 3gxf s SER 148 CO 0.19 -0.88 0.86 -0.76 0.98 0.00 0.00 173.24 173.64 3gxf s LEU 149 N -2.66 4.29 0.00 2.42 1.43 -1.26 -4.54 118.68 118.35 3gxf s LEU 149 Ca 0.01 1.38 -0.08 0.00 -1.03 0.00 0.00 54.13 54.42 3gxf s LEU 149 Cb 0.00 -3.34 0.11 0.00 0.03 0.00 0.00 46.19 42.99 3gxf s LEU 149 CO -0.11 -0.28 0.57 -0.81 0.23 0.00 0.00 176.35 175.96 3gxf n PRO 150 N 4.34 -0.90 0.15 1.29 -0.04 -1.26 -4.83 135.00 133.76 3gxf n PRO 150 Ca 0.04 -0.89 0.02 0.00 -0.04 0.00 0.00 63.50 62.63 3gxf n PRO 150 Cb 0.50 -0.64 0.17 0.00 -0.04 0.00 0.00 33.50 33.49 3gxf n PRO 150 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3gxf h GLU 151 N 0.00 0.00 -0.86 0.54 5.08 -1.98 -2.61 114.58 114.76 3gxf h GLU 151 Ca -0.19 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.38 3gxf h GLU 151 Cb 0.54 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.66 3gxf h GLU 151 CO 0.13 0.54 0.30 0.93 -1.00 0.00 0.00 179.01 179.91 3gxf h GLU 152 N 0.00 0.31 0.17 2.33 3.07 -1.95 0.88 114.58 119.39 3gxf h GLU 152 Ca -0.01 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 3gxf h GLU 152 Cb 1.18 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 3gxf h GLU 152 CO 0.07 0.20 -0.08 -0.44 -1.40 0.00 0.00 179.01 177.36 3gxf h ASP 153 N 0.32 -0.20 0.87 1.42 3.32 -1.85 0.18 116.42 120.48 3gxf h ASP 153 Ca 0.53 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.42 3gxf h ASP 153 Cb 1.00 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 3gxf h ASP 153 CO -0.56 0.30 -0.47 0.71 -1.72 0.00 0.00 179.24 177.50 3gxf h THR 154 N -1.05 1.03 0.00 0.35 1.35 -1.33 0.28 112.91 113.55 3gxf h THR 154 Ca -0.02 -1.80 -0.36 0.00 -0.55 0.00 0.00 66.41 63.67 3gxf h THR 154 Cb 0.25 2.07 -0.07 0.00 -1.73 0.00 0.00 68.15 68.67 3gxf h THR 154 CO 0.04 0.46 -2.36 0.29 -0.25 0.00 0.00 175.52 173.69 3gxf n LYS 155 N -3.55 0.72 0.00 4.72 4.76 0.30 -4.51 118.16 120.61 3gxf n LYS 155 Ca -0.00 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 3gxf n LYS 155 Cb 0.57 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 3gxf n LYS 155 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3gxf n LEU 156 N -3.01 0.62 0.21 -0.35 4.77 -1.01 -4.67 117.00 113.56 3gxf n LEU 156 Ca -0.38 0.04 -0.15 0.00 -0.03 0.00 0.00 56.01 55.48 3gxf n LEU 156 Cb 1.03 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.92 3gxf n LEU 156 CO 0.31 -0.13 0.64 0.11 -1.33 0.00 0.00 177.39 177.00 3gxf h LYS 157 N 0.00 -0.67 0.41 3.23 1.57 -0.54 -3.07 116.57 117.51 3gxf h LYS 157 Ca 0.00 0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3gxf h LYS 157 Cb 0.00 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3gxf h LYS 157 CO 0.00 -0.44 -0.20 0.82 -0.57 0.00 0.00 179.45 179.06 3gxf h ILE 158 N -0.69 0.60 -0.98 1.86 2.04 -0.66 -0.42 117.51 119.25 3gxf h ILE 158 Ca -0.02 -0.13 0.23 0.00 1.00 0.00 0.00 64.86 65.94 3gxf h ILE 158 Cb 0.63 0.66 -0.12 0.00 -0.74 0.00 0.00 36.82 37.25 3gxf h ILE 158 CO -0.06 0.03 0.56 -0.65 0.00 0.00 0.00 178.15 178.02 3gxf h PRO 159 N -0.63 0.56 -0.09 2.37 0.11 -1.76 0.28 132.00 132.84 3gxf h PRO 159 Ca -0.06 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.82 3gxf h PRO 159 Cb 0.47 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.46 3gxf h PRO 159 CO 0.09 0.37 -0.72 -0.07 -0.21 0.00 0.00 178.00 177.46 3gxf h LEU 160 N 0.58 0.79 -0.52 2.35 3.38 -1.40 -0.63 115.31 119.85 3gxf h LEU 160 Ca 0.61 -0.67 0.06 0.00 0.09 0.00 0.00 57.88 57.97 3gxf h LEU 160 Cb 1.13 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 3gxf h LEU 160 CO -0.47 1.34 0.24 0.40 0.09 0.00 0.00 178.44 180.04 3gxf h ILE 161 N 0.30 0.91 -0.48 1.22 2.04 -0.37 0.04 117.51 121.16 3gxf h ILE 161 Ca -0.06 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3gxf h ILE 161 Cb 1.37 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3gxf h ILE 161 CO 0.15 0.08 0.27 0.45 0.00 0.00 0.00 178.15 179.10 3gxf h HIS 162 N 0.46 0.65 -0.97 1.37 3.86 -0.84 -2.02 115.15 117.66 3gxf h HIS 162 Ca 0.24 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.51 3gxf h HIS 162 Cb 0.19 -0.21 -0.07 0.00 1.06 0.00 0.00 27.41 28.38 3gxf h HIS 162 CO -0.12 0.47 0.62 0.00 0.86 0.00 0.00 177.93 179.77 3gxf h ARG 163 N 0.64 1.09 -0.49 2.45 3.08 -0.62 -1.88 114.38 118.64 3gxf h ARG 163 Ca 0.17 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3gxf h ARG 163 Cb 0.03 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 3gxf h ARG 163 CO -0.03 0.72 0.21 0.00 -1.07 0.00 0.00 179.97 179.80 3gxf h ALA 164 N 1.45 0.64 0.00 0.04 0.00 -0.66 -2.72 119.26 118.01 3gxf h ALA 164 Ca 0.43 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3gxf h ALA 164 Cb 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3gxf h ALA 164 CO -0.18 0.23 -0.29 -0.07 0.00 0.00 0.00 179.25 178.94 3gxf h LEU 165 N 0.65 0.00 -0.58 0.00 3.38 -1.04 -1.83 115.31 115.89 3gxf h LEU 165 Ca 0.17 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 3gxf h LEU 165 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3gxf h LEU 165 CO -0.02 0.29 -0.69 -0.61 0.09 0.00 0.00 178.44 177.50 3gxf h GLN 166 N 0.00 0.00 0.00 1.13 5.75 -1.24 -3.31 115.11 117.44 3gxf h GLN 166 Ca -0.00 0.00 -0.25 0.00 -0.15 0.00 0.00 58.65 58.25 3gxf h GLN 166 Cb 0.88 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.39 3gxf h GLN 166 CO 0.04 0.69 -1.39 -0.07 -2.65 0.00 0.00 178.83 175.45 3gxf h LEU 167 N 0.00 0.00 -9.63 -2.39 3.38 -1.11 -3.46 115.31 102.10 3gxf h LEU 167 Ca -0.01 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.44 3gxf h LEU 167 Cb 1.24 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.01 3gxf h LEU 167 CO 0.09 0.97 0.54 0.00 0.09 0.00 0.00 178.44 180.13 3gxf s ALA 168 N -2.66 3.42 0.03 1.53 0.00 -0.74 -4.16 121.76 119.18 3gxf s ALA 168 Ca -0.02 0.91 0.02 0.00 0.00 0.00 0.00 51.96 52.87 3gxf s ALA 168 Cb 0.09 -3.41 -0.25 0.00 0.00 0.00 0.00 23.12 19.55 3gxf s ALA 168 CO 0.82 -0.35 0.97 -0.56 0.00 0.00 0.00 175.76 176.64 3gxf h GLN 169 N 5.46 0.15 -6.92 0.00 -0.00 -1.88 -3.47 115.11 108.45 3gxf h GLN 169 Ca -0.44 -0.26 -0.53 0.00 -0.00 0.00 0.00 58.65 57.42 3gxf h GLN 169 Cb 1.21 0.10 0.09 0.00 -0.00 0.00 0.00 27.48 28.88 3gxf h GLN 169 CO 0.75 1.00 0.72 1.03 -0.00 0.00 0.00 178.83 182.34 3gxf s ARG 170 N -2.64 4.20 0.34 0.06 0.52 -1.26 -4.96 118.95 115.21 3gxf s ARG 170 Ca -0.05 2.43 -0.28 0.00 -0.52 0.00 0.00 55.73 57.30 3gxf s ARG 170 Cb 0.08 -3.01 -0.12 0.00 0.52 0.00 0.00 34.95 32.42 3gxf s ARG 170 CO 0.84 -0.40 1.35 -0.35 0.02 0.00 0.00 175.30 176.77 3gxf n PRO 171 N 0.59 2.25 -4.12 3.54 -0.04 -1.26 -4.99 135.00 130.98 3gxf n PRO 171 Ca 0.01 0.79 -0.36 0.00 -0.04 0.00 0.00 63.50 63.90 3gxf n PRO 171 Cb 0.40 -2.42 -0.08 0.00 -0.04 0.00 0.00 33.50 31.36 3gxf n PRO 171 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3gxf s VAL 172 N -0.96 4.88 -0.19 0.52 1.01 -1.26 -4.82 120.40 119.59 3gxf s VAL 172 Ca 0.56 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.45 3gxf s VAL 172 Cb -0.55 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3gxf s VAL 172 CO 0.61 0.59 0.05 -0.44 0.00 0.00 0.00 175.10 175.91 3gxf s SER 173 N -0.77 5.45 0.08 3.32 0.01 0.30 -4.97 113.70 117.13 3gxf s SER 173 Ca 0.13 0.02 -0.15 0.00 1.31 0.00 0.00 55.95 57.26 3gxf s SER 173 Cb -0.12 -1.93 -0.06 0.00 0.21 0.00 0.00 66.02 64.12 3gxf s SER 173 CO 0.03 0.15 0.49 -0.76 0.41 0.00 0.00 173.24 173.56 3gxf s LEU 174 N 0.50 4.41 -0.12 2.44 1.43 -1.26 -2.01 118.68 124.08 3gxf s LEU 174 Ca 0.02 1.03 -0.01 0.00 -1.03 0.00 0.00 54.13 54.15 3gxf s LEU 174 Cb -0.13 -2.97 0.03 0.00 0.03 0.00 0.00 46.19 43.15 3gxf s LEU 174 CO 0.01 0.21 -0.04 -0.22 0.23 0.00 0.00 176.35 176.54 3gxf s LEU 175 N -1.56 1.12 -0.12 1.79 2.96 -0.67 -1.05 118.68 121.16 3gxf s LEU 175 Ca 0.32 -0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 53.80 3gxf s LEU 175 Cb -0.16 -0.72 -0.04 0.00 0.50 0.00 0.00 46.19 45.77 3gxf s LEU 175 CO 0.17 -0.17 0.08 0.00 -1.32 0.00 0.00 176.35 175.11 3gxf s ALA 176 N 1.78 3.61 -0.03 5.97 0.00 -0.74 0.31 121.76 132.66 3gxf s ALA 176 Ca 0.03 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.30 3gxf s ALA 176 Cb -0.13 -1.79 0.01 0.00 0.00 0.00 0.00 23.12 21.21 3gxf s ALA 176 CO -0.07 0.55 -0.06 -1.12 0.00 0.00 0.00 175.76 175.06 3gxf s SER 177 N -0.80 0.97 0.21 0.00 0.01 -1.16 -0.24 113.70 112.69 3gxf s SER 177 Ca 0.13 -0.14 -0.11 0.00 1.31 0.00 0.00 55.95 57.13 3gxf s SER 177 Cb -0.12 -0.33 -0.07 0.00 0.21 0.00 0.00 66.02 65.71 3gxf s SER 177 CO 0.03 0.02 0.56 -2.16 0.41 0.00 0.00 173.24 172.09 3gxf s PRO 178 N 0.43 3.86 -0.28 12.44 0.04 -1.26 -0.69 135.00 149.55 3gxf s PRO 178 Ca -0.06 0.36 -0.14 0.00 0.04 0.00 0.00 61.00 61.20 3gxf s PRO 178 Cb -0.10 -2.71 -0.12 0.00 0.04 0.00 0.00 34.50 31.61 3gxf s PRO 178 CO 0.00 0.35 -0.35 0.91 0.04 0.00 0.00 177.00 177.95 3gxf n TRP 179 N 0.11 0.00 -4.24 0.56 8.01 -1.26 -0.60 117.44 120.02 3gxf n TRP 179 Ca -0.01 0.00 -0.21 0.00 -1.31 0.00 0.00 57.50 55.97 3gxf n TRP 179 Cb 0.52 -0.98 -0.12 0.00 -2.01 0.00 0.00 31.31 28.72 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 -2.50 1.43 0.74 -0.99 -1.32 -1.26 -2.32 115.64 109.42 3gxf s THR 180 Ca -0.38 -1.52 -0.10 0.00 -1.21 0.00 0.00 61.69 58.48 3gxf s THR 180 Cb 0.15 -1.39 0.06 0.00 -1.51 0.00 0.00 72.50 69.80 3gxf s THR 180 CO 0.48 -0.21 1.09 -0.94 -2.21 0.00 0.00 174.62 172.84 3gxf s SER 181 N -2.00 4.83 0.47 8.08 1.04 -1.26 -5.00 113.70 119.85 3gxf s SER 181 Ca 0.04 0.72 -0.19 0.00 0.48 0.00 0.00 55.95 57.00 3gxf s SER 181 Cb -0.09 -1.34 -0.14 0.00 0.10 0.00 0.00 66.02 64.54 3gxf s SER 181 CO 0.03 -1.66 0.05 -2.65 0.98 0.00 0.00 173.24 170.00 3gxf n PRO 182 N -3.09 0.09 0.18 4.02 -0.02 -1.26 -4.88 135.00 130.04 3gxf n PRO 182 Ca 0.08 0.03 0.04 0.00 -2.02 0.00 0.00 63.50 61.63 3gxf n PRO 182 Cb 0.60 -1.10 0.30 0.00 -0.02 0.00 0.00 33.50 33.28 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 0.18 1.03 0.00 3.45 1.35 -1.88 -2.88 112.91 114.17 3gxf h THR 183 Ca -0.40 -1.65 0.00 0.00 -0.55 0.00 0.00 66.41 63.81 3gxf h THR 183 Cb 1.44 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 3gxf h THR 183 CO 0.45 0.42 0.00 -2.67 -0.25 0.00 0.00 175.52 173.47 3gxf n TRP 184 N -3.62 0.00 1.35 4.73 4.27 -1.26 -1.43 117.44 121.48 3gxf n TRP 184 Ca -0.01 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.74 3gxf n TRP 184 Cb 0.53 -0.21 0.47 0.00 -1.36 0.00 0.00 31.31 30.75 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 -1.21 0.98 -4.43 5.67 4.77 -1.08 -4.82 117.00 116.88 3gxf n LEU 185 Ca 0.13 -0.25 -0.31 0.00 -0.03 0.00 0.00 56.01 55.55 3gxf n LEU 185 Cb 0.15 -0.11 -0.13 0.00 -2.33 0.00 0.00 43.42 41.01 3gxf n LEU 185 CO 0.16 0.18 -0.51 -0.54 -1.33 0.00 0.00 177.39 175.35 3gxf s LYS 186 N -2.37 2.02 0.57 3.23 1.02 -0.51 -1.22 119.74 122.47 3gxf s LYS 186 Ca 0.29 -1.00 0.26 0.00 0.02 0.00 0.00 55.97 55.54 3gxf s LYS 186 Cb 0.20 -2.14 1.56 0.00 -0.52 0.00 0.00 37.83 36.93 3gxf s LYS 186 CO 0.47 0.54 2.10 1.79 -0.92 0.00 0.00 175.35 179.32 3gxf h THR 187 N 4.04 0.60 -0.01 2.17 1.35 -0.87 -2.63 112.91 117.57 3gxf h THR 187 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3gxf h THR 187 Cb 1.15 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 3gxf h THR 187 CO 0.47 0.00 -0.40 -0.46 -0.25 0.00 0.00 175.52 174.88 3gxf n ASN 188 N -4.02 1.31 -2.77 5.36 6.94 -1.26 -5.00 115.26 115.81 3gxf n ASN 188 Ca 0.02 -1.16 -0.21 0.00 -0.02 0.00 0.00 54.58 53.21 3gxf n ASN 188 Cb 0.32 0.60 0.02 0.00 -2.36 0.00 0.00 39.78 38.37 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 1.15 -0.48 3.11 4.83 0.00 -0.99 -4.99 105.19 107.82 3gxf n GLY 189 Ca 0.05 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.13 0.67 0.10 4.61 0.00 -1.26 -4.89 121.76 117.85 3gxf s ALA 190 Ca 0.23 -1.19 0.16 0.00 0.00 0.00 0.00 51.96 51.16 3gxf s ALA 190 Cb -0.10 0.20 0.42 0.00 0.00 0.00 0.00 23.12 23.64 3gxf s ALA 190 CO 0.28 -0.27 1.61 -0.39 0.00 0.00 0.00 175.76 176.98 3gxf h VAL 191 N 3.29 1.01 -3.96 0.00 -1.51 -1.92 -3.45 116.25 109.72 3gxf h VAL 191 Ca -0.34 -1.93 0.00 0.00 -1.23 0.00 0.00 66.70 63.20 3gxf h VAL 191 Cb 1.16 2.15 0.00 0.00 -2.13 0.00 0.00 31.29 32.47 3gxf h VAL 191 CO 0.62 0.48 0.00 -0.46 -1.23 0.00 0.00 177.57 176.98 3gxf n ASN 192 N -3.47 1.90 0.00 4.19 0.23 -1.26 -1.54 115.26 115.30 3gxf n ASN 192 Ca 0.00 -0.96 0.00 0.00 -0.53 0.00 0.00 54.58 53.10 3gxf n ASN 192 Cb 0.61 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.31 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 -2.35 3.70 4.83 0.00 0.95 -4.81 105.19 112.50 3gxf n GLY 193 Ca 0.00 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 3gxf n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gxf s LYS 194 N -0.93 4.49 0.00 1.61 2.20 -1.16 -4.59 119.74 121.36 3gxf s LYS 194 Ca 0.00 1.39 0.00 0.00 -0.36 0.00 0.00 55.97 57.00 3gxf s LYS 194 Cb 0.00 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 3gxf s LYS 194 CO 0.00 -0.16 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 3gxf n GLY 195 N 3.00 2.71 0.56 5.54 0.00 -0.54 -4.63 105.19 111.84 3gxf n GLY 195 Ca 0.07 0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 3gxf n GLY 195 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gxf n SER 196 N 0.00 1.99 -4.76 1.61 3.41 -1.26 -1.83 113.62 112.78 3gxf n SER 196 Ca 0.00 -1.35 -0.38 0.00 -0.26 0.00 0.00 58.87 56.88 3gxf n SER 196 Cb 0.00 0.08 0.01 0.00 -0.26 0.00 0.00 64.21 64.03 3gxf n SER 196 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gxf s LEU 197 N 0.00 4.03 0.75 1.04 1.43 -1.26 -0.25 118.68 124.43 3gxf s LEU 197 Ca 0.01 2.57 -0.11 0.00 -1.03 0.00 0.00 54.13 55.57 3gxf s LEU 197 Cb 0.00 -4.14 0.05 0.00 0.03 0.00 0.00 46.19 42.13 3gxf s LEU 197 CO 0.00 -1.10 1.09 -0.54 0.23 0.00 0.00 176.35 176.03 3gxf s LYS 198 N -2.61 2.40 5.04 1.70 1.02 -0.36 -4.60 119.74 122.33 3gxf s LYS 198 Ca 0.64 1.13 0.00 0.00 0.02 0.00 0.00 55.97 57.76 3gxf s LYS 198 Cb -0.35 -1.92 0.00 0.00 -0.52 0.00 0.00 37.83 35.04 3gxf s LYS 198 CO 0.44 -1.53 0.00 0.41 -0.92 0.00 0.00 175.35 173.75 3gxf n GLY 199 N -1.35 1.76 3.16 -3.33 0.00 -1.26 -4.57 105.19 99.60 3gxf n GLY 199 Ca 0.09 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 3gxf n GLY 199 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gxf s GLN 200 N 0.00 0.49 0.12 1.61 -1.52 -1.26 -5.10 119.66 114.00 3gxf s GLN 200 Ca 0.00 -0.08 -0.34 0.00 -1.95 0.00 0.00 55.36 52.99 3gxf s GLN 200 Cb 0.00 0.22 -0.18 0.00 -0.22 0.00 0.00 33.01 32.83 3gxf s GLN 200 CO 0.00 -0.11 0.90 -2.30 -0.25 0.00 0.00 175.29 173.52 3gxf n PRO 201 N 1.88 0.31 0.00 2.91 -0.02 -1.26 -2.49 135.00 136.33 3gxf n PRO 201 Ca -0.19 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 3gxf n PRO 201 Cb 0.57 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 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 1.80 2.53 0.00 -1.23 0.00 -1.26 -5.02 105.19 102.00 3gxf n GLY 202 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.00 0.08 1.61 5.68 -1.04 -4.74 116.55 118.14 3gxf n ASP 203 Ca 0.00 -0.45 -0.13 0.00 -0.50 0.00 0.00 54.79 53.70 3gxf n ASP 203 Cb 0.00 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 39.85 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 -0.42 1.50 0.15 2.12 2.10 -1.95 -0.49 117.51 120.52 3gxf h ILE 204 Ca 0.00 -3.13 -0.01 0.00 1.08 0.00 0.00 64.86 62.80 3gxf h ILE 204 Cb 0.00 2.88 0.00 0.00 -1.09 0.00 0.00 36.82 38.61 3gxf h ILE 204 CO 0.00 0.90 -0.07 1.88 -1.08 0.00 0.00 178.15 179.78 3gxf h TYR 205 N 0.05 -0.18 -0.58 2.19 -1.99 -1.92 -0.22 116.97 114.32 3gxf h TYR 205 Ca -0.12 -0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.55 3gxf h TYR 205 Cb 1.92 0.06 -0.03 0.00 2.00 0.00 0.00 36.73 40.69 3gxf h TYR 205 CO 0.04 0.02 0.10 0.45 -0.00 0.00 0.00 178.16 178.77 3gxf h HIS 206 N -0.36 0.97 -0.35 4.88 3.86 -1.80 0.36 115.15 122.71 3gxf h HIS 206 Ca -0.02 -0.11 -0.15 0.00 -1.16 0.00 0.00 60.37 58.93 3gxf h HIS 206 Cb 0.28 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 3gxf h HIS 206 CO -0.02 0.82 -0.36 1.96 0.86 0.00 0.00 177.93 181.19 3gxf h GLN 207 N 0.87 0.86 0.06 2.45 1.08 -1.05 -1.62 115.11 117.77 3gxf h GLN 207 Ca 0.18 -0.46 0.01 0.00 -1.45 0.00 0.00 58.65 56.92 3gxf h GLN 207 Cb 0.38 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 3gxf h GLN 207 CO 0.01 1.10 -0.08 1.15 -0.95 0.00 0.00 178.83 180.06 3gxf h THR 208 N 0.65 0.82 -0.98 -0.54 2.02 -0.91 -0.50 112.91 113.47 3gxf h THR 208 Ca 0.05 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.28 3gxf h THR 208 Cb 0.95 0.82 -0.06 0.00 -1.74 0.00 0.00 68.15 68.12 3gxf h THR 208 CO 0.09 0.00 0.64 -0.25 0.37 0.00 0.00 175.52 176.37 3gxf h TRP 209 N -0.16 1.18 -0.30 3.16 -0.00 -0.88 0.79 115.95 119.74 3gxf h TRP 209 Ca 0.01 0.03 -0.16 0.00 -0.00 0.00 0.00 58.89 58.77 3gxf h TRP 209 Cb 0.17 -0.39 -0.00 0.00 -0.00 0.00 0.00 29.16 28.93 3gxf h TRP 209 CO -0.11 0.65 -0.46 0.00 -0.00 0.00 0.00 178.44 178.51 3gxf h ALA 210 N 1.45 0.61 0.00 2.65 0.00 -1.10 -2.55 119.26 120.33 3gxf h ALA 210 Ca 0.41 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3gxf h ALA 210 Cb 0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3gxf h ALA 210 CO -0.15 0.68 -0.08 0.00 0.00 0.00 0.00 179.25 179.70 3gxf h ARG 211 N 0.63 0.00 -0.49 0.00 3.08 -0.15 -2.61 114.38 114.84 3gxf h ARG 211 Ca 0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3gxf h ARG 211 Cb 1.04 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 3gxf h ARG 211 CO 0.10 0.08 0.14 -0.92 -1.07 0.00 0.00 179.97 178.31 3gxf h TYR 212 N 0.00 0.81 -0.69 3.04 3.20 -0.44 -1.29 116.97 121.59 3gxf h TYR 212 Ca -0.00 -0.09 0.12 0.00 3.14 0.00 0.00 58.73 61.90 3gxf h TYR 212 Cb 0.27 -0.23 -0.08 0.00 1.54 0.00 0.00 36.73 38.23 3gxf h TYR 212 CO 0.00 0.71 0.28 0.74 -1.64 0.00 0.00 178.16 178.25 3gxf h PHE 213 N 0.67 0.48 -0.31 -3.82 -1.00 -1.41 0.50 116.94 112.04 3gxf h PHE 213 Ca 0.16 0.03 -0.13 0.00 2.81 0.00 0.00 57.97 60.84 3gxf h PHE 213 Cb 0.29 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.73 3gxf h PHE 213 CO 0.02 0.10 -0.35 0.28 -1.61 0.00 0.00 178.31 176.75 3gxf h VAL 214 N 0.45 1.29 -0.48 -0.55 2.07 -1.48 -1.54 116.25 116.01 3gxf h VAL 214 Ca 0.36 -1.50 -0.08 0.00 0.82 0.00 0.00 66.70 66.31 3gxf h VAL 214 Cb 0.49 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3gxf h VAL 214 CO -0.35 0.49 0.00 0.11 0.02 0.00 0.00 177.57 177.84 3gxf h LYS 215 N 0.59 0.84 -0.22 1.57 1.79 -0.73 0.26 116.57 120.66 3gxf h LYS 215 Ca 0.06 -0.27 0.06 0.00 -2.18 0.00 0.00 60.65 58.32 3gxf h LYS 215 Cb 0.87 -0.08 -0.07 0.00 -1.58 0.00 0.00 32.23 31.37 3gxf h LYS 215 CO 0.08 0.89 -0.29 0.35 -1.08 0.00 0.00 179.45 179.40 3gxf h PHE 216 N 0.70 -0.79 -0.35 -1.35 3.57 -0.75 0.62 116.94 118.59 3gxf h PHE 216 Ca 0.14 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3gxf h PHE 216 Cb 0.51 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 3gxf h PHE 216 CO 0.04 -0.36 0.17 -0.07 -2.23 0.00 0.00 178.31 175.85 3gxf h LEU 217 N -0.31 0.45 -0.59 0.59 3.38 -0.94 0.26 115.31 118.15 3gxf h LEU 217 Ca 0.13 -0.12 0.12 0.00 0.09 0.00 0.00 57.88 58.09 3gxf h LEU 217 Cb 0.51 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.05 3gxf h LEU 217 CO -0.40 0.45 0.04 0.44 0.09 0.00 0.00 178.44 179.06 3gxf h ASP 218 N 0.42 -0.17 0.03 -0.43 3.32 -0.39 -0.61 116.42 118.59 3gxf h ASP 218 Ca 0.12 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 3gxf h ASP 218 Cb 0.11 0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3gxf h ASP 218 CO -0.02 -0.07 -0.01 0.00 -1.72 0.00 0.00 179.24 177.42 3gxf h ALA 219 N 1.51 -0.04 -0.91 3.45 0.00 -0.40 -1.43 119.26 121.45 3gxf h ALA 219 Ca 0.31 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.13 3gxf h ALA 219 Cb 0.48 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 3gxf h ALA 219 CO -0.47 -0.35 0.59 1.88 0.00 0.00 0.00 179.25 180.90 3gxf h TYR 220 N -0.38 1.01 -0.51 0.00 -1.99 -0.87 -1.78 116.97 112.45 3gxf h TYR 220 Ca -0.00 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.72 3gxf h TYR 220 Cb 0.36 -0.33 -0.02 0.00 2.00 0.00 0.00 36.73 38.74 3gxf h TYR 220 CO 0.04 0.49 0.17 0.00 -0.00 0.00 0.00 178.16 178.86 3gxf h ALA 221 N 1.53 1.34 -0.05 3.88 0.00 -0.89 -1.71 119.26 123.36 3gxf h ALA 221 Ca 0.41 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3gxf h ALA 221 Cb 0.31 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3gxf h ALA 221 CO -0.17 0.48 0.05 0.93 0.00 0.00 0.00 179.25 180.55 3gxf h GLU 222 N 0.74 0.00 -0.57 0.00 5.08 -0.34 0.31 114.58 119.80 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 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3gxf h GLU 222 CO -0.01 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.72 3gxf n HIS 223 N -3.97 0.75 -2.32 4.33 8.25 -0.69 -4.94 115.22 116.63 3gxf n HIS 223 Ca -0.02 -0.38 -0.09 0.00 -0.26 0.00 0.00 57.72 56.98 3gxf n HIS 223 Cb 0.15 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.26 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 1.35 -1.19 -4.85 -0.41 5.02 0.10 -5.02 118.16 113.16 3gxf n LYS 224 Ca 0.21 0.39 -0.31 0.00 -2.02 0.00 0.00 58.31 56.57 3gxf n LYS 224 Cb 0.54 -4.25 -0.17 0.00 -0.02 0.00 0.00 35.03 31.14 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 -2.61 2.03 0.02 -0.35 1.43 -0.90 -5.00 118.68 113.30 3gxf s LEU 225 Ca 0.05 -0.55 0.04 0.00 -1.03 0.00 0.00 54.13 52.64 3gxf s LEU 225 Cb -0.02 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 3gxf s LEU 225 CO 0.06 0.10 -0.08 -1.10 0.23 0.00 0.00 176.35 175.57 3gxf s GLN 226 N 0.64 2.48 0.05 1.70 -1.52 -1.26 -2.99 119.66 118.76 3gxf s GLN 226 Ca -0.12 -0.77 -0.06 0.00 -1.95 0.00 0.00 55.36 52.46 3gxf s GLN 226 Cb -0.16 -2.46 -0.05 0.00 -0.22 0.00 0.00 33.01 30.11 3gxf s GLN 226 CO 0.03 0.59 0.30 -0.06 -0.25 0.00 0.00 175.29 175.89 3gxf s PHE 227 N -1.02 3.55 -0.06 0.91 0.40 -1.26 -4.45 117.98 116.05 3gxf s PHE 227 Ca 0.18 0.57 -0.18 0.00 -0.60 0.00 0.00 56.93 56.89 3gxf s PHE 227 Cb -0.11 -1.99 -0.30 0.00 0.51 0.00 0.00 43.02 41.13 3gxf s PHE 227 CO 0.08 0.56 0.74 2.35 0.70 0.00 0.00 175.22 179.65 3gxf h TRP 228 N 3.64 0.56 -3.50 0.36 7.01 -1.43 -3.43 115.95 119.16 3gxf h TRP 228 Ca -0.49 -0.41 -0.05 0.00 2.11 0.00 0.00 58.89 60.06 3gxf h TRP 228 Cb 1.19 -0.02 -0.11 0.00 -2.10 0.00 0.00 29.16 28.11 3gxf h TRP 228 CO 0.66 1.47 -0.09 0.00 -2.79 0.00 0.00 178.44 177.69 3gxf s ALA 229 N -2.48 -0.63 0.05 2.65 0.00 -1.01 -1.38 121.76 118.97 3gxf s ALA 229 Ca -0.16 -0.43 0.06 0.00 0.00 0.00 0.00 51.96 51.43 3gxf s ALA 229 Cb 0.03 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.97 3gxf s ALA 229 CO 0.82 -0.74 -0.16 0.14 0.00 0.00 0.00 175.76 175.82 3gxf s VAL 230 N -3.90 1.24 0.40 0.00 -7.23 -0.16 -1.80 120.40 108.95 3gxf s VAL 230 Ca 0.11 -1.15 -0.03 0.00 -1.81 0.00 0.00 61.98 59.10 3gxf s VAL 230 Cb 0.01 -1.13 -0.04 0.00 0.56 0.00 0.00 36.38 35.78 3gxf s VAL 230 CO -0.02 -0.03 0.65 0.42 -0.31 0.00 0.00 175.10 175.80 3gxf s THR 231 N -0.98 5.01 -0.52 5.32 -4.23 0.66 -1.01 115.64 119.89 3gxf s THR 231 Ca 0.02 -0.10 0.23 0.00 -1.18 0.00 0.00 61.69 60.66 3gxf s THR 231 Cb -0.09 -3.84 0.24 0.00 1.34 0.00 0.00 72.50 70.15 3gxf s THR 231 CO 0.02 -0.64 1.69 0.00 -0.54 0.00 0.00 174.62 175.14 3gxf n ALA 232 N -1.85 1.64 0.00 3.99 0.00 -0.34 -4.62 120.51 119.33 3gxf n ALA 232 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3gxf n ALA 232 Cb 0.55 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.17 0.00 -2.10 0.00 4.07 -1.26 -4.95 120.64 114.22 3gxf n GLU 233 Ca 0.02 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.70 3gxf n GLU 233 Cb 0.22 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.57 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 6.74 -0.81 4.31 2.47 0.23 -4.16 114.94 123.73 3gxf s ASN 234 Ca 0.00 2.19 -0.02 0.00 0.42 0.00 0.00 52.86 55.45 3gxf s ASN 234 Cb 0.00 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.25 3gxf s ASN 234 CO 0.00 -0.83 0.61 -0.62 -3.72 0.00 0.00 177.10 172.53 3gxf n GLU 235 N 6.18 -1.56 0.29 0.43 1.02 0.66 -4.73 120.64 122.94 3gxf n GLU 235 Ca 0.15 0.79 0.15 0.00 -0.02 0.00 0.00 57.16 58.23 3gxf n GLU 235 Cb 0.43 -2.29 0.90 0.00 -0.02 0.00 0.00 31.44 30.45 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 -0.17 0.00 0.00 3.49 0.13 -1.74 -1.92 132.00 131.79 3gxf h PRO 236 Ca -0.63 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.43 3gxf h PRO 236 Cb 1.40 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.52 3gxf h PRO 236 CO 0.36 0.00 -0.34 0.66 -0.23 0.00 0.00 178.00 178.45 3gxf h SER 237 N 0.00 0.00 -0.74 1.44 4.64 -1.85 -2.12 113.55 114.92 3gxf h SER 237 Ca -0.00 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.47 3gxf h SER 237 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 3gxf h SER 237 CO 0.00 0.34 0.50 0.00 -0.87 0.00 0.00 176.83 176.80 3gxf h ALA 238 N 1.66 2.15 -0.01 5.18 0.00 -1.66 -2.89 119.26 123.68 3gxf h ALA 238 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gxf h ALA 238 Cb 0.84 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3gxf h ALA 238 CO 0.04 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.36 3gxf n GLY 239 N -1.53 -0.44 0.49 0.00 0.00 -1.13 -2.57 105.19 100.01 3gxf n GLY 239 Ca 0.14 -0.33 0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.34 1.76 -4.69 0.99 4.77 -1.09 -1.46 117.00 116.94 3gxf n LEU 240 Ca 0.21 -0.58 -0.36 0.00 -0.03 0.00 0.00 56.01 55.24 3gxf n LEU 240 Cb 0.24 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.20 3gxf n LEU 240 CO 0.17 0.31 -0.16 -0.76 -1.33 0.00 0.00 177.39 175.62 3gxf s LEU 241 N -2.31 4.15 0.58 2.23 1.43 -1.06 -4.94 118.68 118.76 3gxf s LEU 241 Ca 0.26 0.18 -0.18 0.00 -1.03 0.00 0.00 54.13 53.36 3gxf s LEU 241 Cb 0.19 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 3gxf s LEU 241 CO 0.46 0.10 1.11 -0.94 0.23 0.00 0.00 176.35 177.31 3gxf s SER 242 N 0.80 5.58 -0.70 2.29 1.04 -1.26 -2.67 113.70 118.78 3gxf s SER 242 Ca 0.08 2.06 0.00 0.00 0.48 0.00 0.00 55.95 58.58 3gxf s SER 242 Cb -0.13 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.43 3gxf s SER 242 CO 0.02 -1.31 0.00 0.61 0.98 0.00 0.00 173.24 173.54 3gxf n GLY 243 N -0.21 0.63 3.66 7.32 0.00 -1.26 -4.81 105.19 110.52 3gxf n GLY 243 Ca 0.11 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.63 3gxf n GLY 243 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gxf n TYR 244 N -1.92 2.06 0.14 1.61 9.36 -1.09 -4.76 117.16 122.56 3gxf n TYR 244 Ca -0.07 0.34 0.02 0.00 3.32 0.00 0.00 57.90 61.52 3gxf n TYR 244 Cb 0.50 -2.50 0.05 0.00 -0.63 0.00 0.00 39.34 36.76 3gxf n TYR 244 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3gxf h PRO 245 N 6.42 0.00 0.00 2.98 0.13 -1.92 0.27 132.00 139.87 3gxf h PRO 245 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3gxf h PRO 245 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3gxf h PRO 245 CO 0.88 0.51 0.00 1.97 -0.23 0.00 0.00 178.00 181.13 3gxf n PHE 246 N -3.26 0.00 -1.70 1.56 1.16 -1.26 -4.86 117.46 109.10 3gxf n PHE 246 Ca 0.02 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.17 3gxf n PHE 246 Cb 0.72 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.56 3gxf n PHE 246 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 3gxf n GLN 247 N 0.00 2.71 -3.43 3.97 3.00 -1.26 -4.30 117.38 118.07 3gxf n GLN 247 Ca 0.00 0.98 -0.12 0.00 -0.01 0.00 0.00 57.00 57.85 3gxf n GLN 247 Cb 0.00 -2.84 -0.02 0.00 0.00 0.00 0.00 30.24 27.37 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 -2.64 -0.39 0.26 0.00 2.96 -0.98 -4.55 118.68 113.35 3gxf s LEU 249 Ca 0.00 0.17 -0.29 0.00 -0.22 0.00 0.00 54.13 53.79 3gxf s LEU 249 Cb -0.01 0.80 -0.09 0.00 0.50 0.00 0.00 46.19 47.38 3gxf s LEU 249 CO -0.11 -0.30 0.95 -0.83 -1.32 0.00 0.00 176.35 174.74 3gxf s GLY 250 N 2.45 3.05 -0.02 7.98 0.00 -0.76 -4.53 107.32 115.49 3gxf s GLY 250 Ca 0.08 0.61 0.01 0.00 0.00 0.00 0.00 44.72 45.42 3gxf s GLY 250 CO -0.13 1.16 -0.02 -1.36 0.00 0.00 0.00 173.10 172.75 3gxf s PHE 251 N -1.27 0.33 0.77 1.90 0.40 -0.81 -4.45 117.98 114.84 3gxf s PHE 251 Ca 0.43 -0.04 -0.11 0.00 -0.60 0.00 0.00 56.93 56.61 3gxf s PHE 251 Cb -0.25 -0.32 0.05 0.00 0.51 0.00 0.00 43.02 43.02 3gxf s PHE 251 CO 0.31 -0.07 1.08 0.95 0.70 0.00 0.00 175.22 178.18 3gxf s THR 252 N 0.49 3.43 0.30 0.64 -4.23 -1.26 -4.37 115.64 110.64 3gxf s THR 252 Ca -0.05 0.46 0.06 0.00 -1.18 0.00 0.00 61.69 60.98 3gxf s THR 252 Cb -0.08 -3.12 0.29 0.00 1.34 0.00 0.00 72.50 70.93 3gxf s THR 252 CO -0.01 -0.61 1.74 -0.65 -0.54 0.00 0.00 174.62 174.55 3gxf h PRO 253 N -1.02 0.58 -0.40 3.99 0.10 -1.99 -0.87 132.00 132.40 3gxf h PRO 253 Ca -0.45 -0.03 -0.06 0.00 0.10 0.00 0.00 66.00 65.55 3gxf h PRO 253 Cb 1.24 -0.13 -0.01 0.00 0.10 0.00 0.00 31.00 32.20 3gxf h PRO 253 CO 0.56 0.38 0.01 0.93 0.10 0.00 0.00 178.00 179.99 3gxf h GLU 254 N 0.60 0.70 -0.60 1.05 3.07 -1.93 -0.63 114.58 116.83 3gxf h GLU 254 Ca 0.59 -0.22 0.01 0.00 -0.50 0.00 0.00 59.36 59.24 3gxf h GLU 254 Cb 1.03 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.85 3gxf h GLU 254 CO -0.45 0.78 0.40 1.25 -1.40 0.00 0.00 179.01 179.59 3gxf h HIS 255 N 0.53 0.75 -0.20 4.33 2.76 -1.74 0.50 115.15 122.08 3gxf h HIS 255 Ca 0.11 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 3gxf h HIS 255 Cb 0.46 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 3gxf h HIS 255 CO 0.04 0.47 0.08 0.37 -1.30 0.00 0.00 177.93 177.59 3gxf h GLN 256 N 0.81 0.30 -0.27 5.26 4.15 -0.91 0.19 115.11 124.65 3gxf h GLN 256 Ca 0.22 -0.06 0.06 0.00 0.77 0.00 0.00 58.65 59.65 3gxf h GLN 256 Cb -0.09 -0.05 -0.08 0.00 0.21 0.00 0.00 27.48 27.48 3gxf h GLN 256 CO -0.05 0.37 -0.38 -0.09 -1.93 0.00 0.00 178.83 176.75 3gxf h ARG 257 N 0.17 -0.36 -0.17 1.69 2.43 -0.92 -0.95 114.38 116.28 3gxf h ARG 257 Ca 0.07 0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.12 3gxf h ARG 257 Cb 0.18 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3gxf h ARG 257 CO -0.01 -0.24 -0.50 -0.44 -1.51 0.00 0.00 179.97 177.28 3gxf h ASP 258 N -0.37 0.49 -0.93 -3.80 3.32 -0.69 -0.33 116.42 114.11 3gxf h ASP 258 Ca 0.12 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 56.94 3gxf h ASP 258 Cb 0.58 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.94 3gxf h ASP 258 CO -0.47 0.91 0.61 0.15 -1.72 0.00 0.00 179.24 178.72 3gxf h PHE 259 N 0.36 1.15 -0.13 4.55 3.57 -0.51 0.25 116.94 126.18 3gxf h PHE 259 Ca 0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 3gxf h PHE 259 Cb 1.00 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 39.35 3gxf h PHE 259 CO 0.03 0.70 -0.03 0.82 -2.23 0.00 0.00 178.31 177.61 3gxf h ILE 260 N 1.23 1.28 0.06 1.41 2.04 -0.87 0.63 117.51 123.29 3gxf h ILE 260 Ca 0.35 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 3gxf h ILE 260 Cb -0.09 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3gxf h ILE 260 CO -0.09 0.28 -0.03 0.00 0.00 0.00 0.00 178.15 178.31 3gxf h ALA 261 N 0.71 -0.08 0.09 1.87 0.00 -1.00 0.06 119.26 120.91 3gxf h ALA 261 Ca 0.03 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 3gxf h ALA 261 Cb 0.44 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.28 3gxf h ALA 261 CO 0.01 -0.50 -0.96 0.00 0.00 0.00 0.00 179.25 177.80 3gxf h ARG 262 N -0.16 0.50 0.00 0.00 2.47 -0.53 -3.41 114.38 113.25 3gxf h ARG 262 Ca -0.01 -0.65 0.00 0.00 -1.26 0.00 0.00 59.98 58.06 3gxf h ARG 262 Cb 0.13 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 3gxf h ARG 262 CO 0.01 1.27 0.00 -0.25 0.56 0.00 0.00 179.97 181.57 3gxf n ASP 263 N -3.99 0.34 -0.06 7.04 8.00 -0.33 -4.60 116.55 122.94 3gxf n ASP 263 Ca -0.13 0.08 -0.11 0.00 0.71 0.00 0.00 54.79 55.34 3gxf n ASP 263 Cb 0.86 -0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.84 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 0.31 0.28 0.64 5.85 -1.04 -0.80 115.31 120.56 3gxf h LEU 264 Ca 0.00 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3gxf h LEU 264 Cb 0.00 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3gxf h LEU 264 CO 0.00 0.46 -0.35 1.23 -0.34 0.00 0.00 178.44 179.44 3gxf h GLY 265 N 0.16 -1.11 0.84 3.75 0.00 -1.18 0.91 103.07 106.43 3gxf h GLY 265 Ca 0.07 0.53 0.04 0.00 0.00 0.00 0.00 47.33 47.96 3gxf h GLY 265 CO -0.00 -0.34 0.50 -2.55 0.00 0.00 0.00 176.54 174.15 3gxf h PRO 266 N -0.65 0.94 -0.35 4.80 0.11 -1.73 0.26 132.00 135.38 3gxf h PRO 266 Ca -0.03 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.97 3gxf h PRO 266 Cb 0.58 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 3gxf h PRO 266 CO -0.08 0.62 0.04 1.15 -0.21 0.00 0.00 178.00 179.52 3gxf h THR 267 N 0.97 1.25 -0.64 -1.15 2.02 -1.06 0.82 112.91 115.11 3gxf h THR 267 Ca 0.33 -0.89 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 3gxf h THR 267 Cb 0.05 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 3gxf h THR 267 CO -0.13 0.30 0.33 -0.07 0.37 0.00 0.00 175.52 176.32 3gxf h LEU 268 N 0.42 0.82 -1.13 2.58 3.38 -0.59 -3.03 115.31 117.76 3gxf h LEU 268 Ca 0.10 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3gxf h LEU 268 Cb 0.39 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3gxf h LEU 268 CO 0.01 0.70 0.04 0.00 0.09 0.00 0.00 178.44 179.28 3gxf h ALA 269 N 1.15 1.29 0.00 1.53 0.00 -0.58 -2.23 119.26 120.43 3gxf h ALA 269 Ca 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gxf h ALA 269 Cb 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3gxf h ALA 269 CO -0.03 0.49 0.00 0.09 0.00 0.00 0.00 179.25 179.80 3gxf n ASN 270 N -4.27 0.00 -4.66 0.00 4.13 0.25 -4.75 115.26 105.96 3gxf n ASN 270 Ca 0.02 -1.81 -0.27 0.00 1.68 0.00 0.00 54.58 54.21 3gxf n ASN 270 Cb 0.25 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.39 3gxf n ASN 270 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3gxf s SER 271 N -1.19 4.07 0.16 6.41 1.04 -0.84 -5.02 113.70 118.34 3gxf s SER 271 Ca 0.09 -1.24 0.22 0.00 0.48 0.00 0.00 55.95 55.50 3gxf s SER 271 Cb 0.04 -0.43 0.88 0.00 0.10 0.00 0.00 66.02 66.61 3gxf s SER 271 CO 0.07 -0.45 1.67 0.35 0.98 0.00 0.00 173.24 175.85 3gxf n THR 272 N -1.05 0.78 -1.12 2.02 -2.24 -1.26 -2.60 114.28 108.81 3gxf n THR 272 Ca -0.04 0.15 -0.26 0.00 -2.27 0.00 0.00 64.05 61.63 3gxf n THR 272 Cb 0.66 -0.99 0.12 0.00 -2.10 0.00 0.00 70.33 68.01 3gxf n THR 272 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3gxf n HIS 273 N -1.99 2.84 0.25 4.78 8.25 -1.26 -4.56 115.22 123.54 3gxf n HIS 273 Ca 0.03 -2.24 0.09 0.00 -0.26 0.00 0.00 57.72 55.35 3gxf n HIS 273 Cb 0.25 -1.11 0.64 0.00 1.12 0.00 0.00 29.99 30.89 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 1.36 0.00 0.00 4.41 -0.00 -1.59 -1.75 115.15 117.59 3gxf h HIS 274 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.93 3gxf h HIS 274 Cb 1.83 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.24 3gxf h HIS 274 CO 1.39 0.14 0.00 0.09 -0.00 0.00 0.00 177.93 179.55 3gxf n ASN 275 N -3.96 0.46 -4.70 3.10 3.02 -1.26 -4.78 115.26 107.13 3gxf n ASN 275 Ca -0.02 0.59 -0.42 0.00 -0.03 0.00 0.00 54.58 54.69 3gxf n ASN 275 Cb 0.23 -0.69 -0.03 0.00 -0.61 0.00 0.00 39.78 38.68 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 -3.15 2.47 0.48 2.41 1.01 -0.66 -4.97 120.40 117.99 3gxf s VAL 276 Ca 0.08 0.12 -0.21 0.00 0.00 0.00 0.00 61.98 61.97 3gxf s VAL 276 Cb 0.11 -3.08 -0.08 0.00 0.00 0.00 0.00 36.38 33.33 3gxf s VAL 276 CO 0.43 0.00 1.05 -0.13 0.00 0.00 0.00 175.10 176.45 3gxf s ARG 277 N 2.22 3.80 -0.14 2.72 1.81 -0.48 -4.89 118.95 124.01 3gxf s ARG 277 Ca 0.78 1.41 -0.01 0.00 -1.72 0.00 0.00 55.73 56.19 3gxf s ARG 277 Cb -0.46 -2.14 -0.02 0.00 -0.45 0.00 0.00 34.95 31.88 3gxf s ARG 277 CO 0.34 -0.44 -0.11 -1.17 -0.68 0.00 0.00 175.30 173.25 3gxf s LEU 278 N -3.40 2.85 -0.09 2.53 2.96 -1.26 -0.99 118.68 121.27 3gxf s LEU 278 Ca 0.67 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 54.32 3gxf s LEU 278 Cb -0.18 -1.65 -0.01 0.00 0.50 0.00 0.00 46.19 44.84 3gxf s LEU 278 CO 0.22 0.16 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.48 3gxf s LEU 279 N 0.38 2.51 0.00 -0.68 1.43 -0.18 -0.63 118.68 121.50 3gxf s LEU 279 Ca -0.09 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.64 3gxf s LEU 279 Cb -0.15 -1.52 0.13 0.00 0.03 0.00 0.00 46.19 44.68 3gxf s LEU 279 CO 0.05 0.23 0.91 1.15 0.23 0.00 0.00 176.35 178.91 3gxf n MET 280 N 3.09 -0.11 0.00 1.70 0.00 -0.43 -1.20 117.12 120.17 3gxf n MET 280 Ca -0.18 -2.36 0.00 0.00 0.00 0.00 0.00 57.70 55.16 3gxf n MET 280 Cb 0.52 -0.64 0.00 0.00 0.00 0.00 0.00 33.22 33.11 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 -3.73 3.17 7.94 -1.26 -1.10 117.00 122.02 3gxf n LEU 281 Ca 0.15 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.80 3gxf n LEU 281 Cb 0.52 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.52 3gxf n LEU 281 CO 0.35 0.00 0.09 -0.67 -1.11 0.00 0.00 177.39 176.06 3gxf n ASP 282 N 3.86 -3.84 -3.15 1.96 2.03 0.35 -4.24 116.55 113.52 3gxf n ASP 282 Ca 0.00 -0.72 -0.14 0.00 0.52 0.00 0.00 54.79 54.45 3gxf n ASP 282 Cb 0.00 -4.34 -0.03 0.00 -0.72 0.00 0.00 41.12 36.03 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 -3.73 0.90 0.56 1.67 -1.08 -1.19 -0.24 116.67 113.55 3gxf s ASP 283 Ca 0.39 -1.48 -0.21 0.00 -0.52 0.00 0.00 52.55 50.72 3gxf s ASP 283 Cb -0.19 0.69 -0.05 0.00 -1.46 0.00 0.00 42.92 41.92 3gxf s ASP 283 CO 0.79 -1.36 1.30 0.00 0.52 0.00 0.00 175.17 176.43 3gxf n GLN 284 N -0.58 1.55 0.00 4.34 1.13 -1.26 -1.20 117.38 121.36 3gxf n GLN 284 Ca 0.00 0.57 0.11 0.00 -1.94 0.00 0.00 57.00 55.74 3gxf n GLN 284 Cb 0.61 -2.51 0.47 0.00 0.11 0.00 0.00 30.24 28.92 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 -1.06 0.02 0.29 -1.09 1.85 -1.23 -2.60 116.66 112.84 3gxf n ARG 285 Ca 0.11 0.12 0.17 0.00 -1.00 0.00 0.00 57.85 57.26 3gxf n ARG 285 Cb 0.45 -1.50 0.96 0.00 -1.05 0.00 0.00 32.46 31.32 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 -0.07 2.89 8.10 -1.90 -1.35 115.31 122.98 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 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.59 3gxf h LEU 286 CO 0.00 0.00 0.00 0.18 -4.11 0.00 0.00 178.44 174.51 3gxf n LEU 287 N -3.61 0.10 -4.77 0.17 4.77 -1.07 -4.79 117.00 107.81 3gxf n LEU 287 Ca -0.02 -0.04 -0.30 0.00 -0.03 0.00 0.00 56.01 55.63 3gxf n LEU 287 Cb 0.16 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.18 3gxf n LEU 287 CO 0.25 0.02 -0.27 -0.76 -1.33 0.00 0.00 177.39 175.30 3gxf s LEU 288 N -1.92 3.77 0.00 2.23 1.43 -0.51 -1.57 118.68 122.11 3gxf s LEU 288 Ca 0.44 -0.04 0.30 0.00 -1.03 0.00 0.00 54.13 53.80 3gxf s LEU 288 Cb 0.20 -2.45 1.44 0.00 0.03 0.00 0.00 46.19 45.41 3gxf s LEU 288 CO 0.34 0.16 2.01 -0.81 0.23 0.00 0.00 176.35 178.29 3gxf n PRO 289 N 0.40 0.38 -0.24 1.29 -0.04 -1.26 -4.55 135.00 130.99 3gxf n PRO 289 Ca -0.09 -0.02 0.01 0.00 -0.04 0.00 0.00 63.50 63.36 3gxf n PRO 289 Cb 0.52 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.57 3gxf n PRO 289 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3gxf h HIS 290 N 0.05 -0.31 -0.51 0.54 2.76 -1.92 -0.85 115.15 114.92 3gxf h HIS 290 Ca 0.00 0.06 -0.04 0.00 -2.20 0.00 0.00 60.37 58.19 3gxf h HIS 290 Cb 0.33 0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.51 3gxf h HIS 290 CO 0.00 -0.29 0.16 -1.49 -1.30 0.00 0.00 177.93 175.02 3gxf h TRP 291 N 0.02 0.76 -0.10 5.26 4.06 -1.66 -1.92 115.95 122.36 3gxf h TRP 291 Ca 0.35 -0.05 -0.00 0.00 2.06 0.00 0.00 58.89 61.25 3gxf h TRP 291 Cb 0.54 -0.23 -0.00 0.00 -1.00 0.00 0.00 29.16 28.47 3gxf h TRP 291 CO -0.53 0.61 0.06 0.00 -3.56 0.00 0.00 178.44 175.03 3gxf h ALA 292 N 1.45 0.13 0.73 1.49 0.00 -1.44 -2.27 119.26 119.36 3gxf h ALA 292 Ca 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3gxf h ALA 292 Cb 0.21 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3gxf h ALA 292 CO -0.01 -0.36 -0.46 0.87 0.00 0.00 0.00 179.25 179.28 3gxf h LYS 293 N 0.11 -1.08 -0.84 0.00 1.57 -0.81 0.37 116.57 115.89 3gxf h LYS 293 Ca 0.04 0.07 0.18 0.00 -1.87 0.00 0.00 60.65 59.07 3gxf h LYS 293 Cb 0.02 0.25 -0.16 0.00 0.08 0.00 0.00 32.23 32.42 3gxf h LYS 293 CO -0.01 -0.72 -0.15 0.28 -0.57 0.00 0.00 179.45 178.28 3gxf h VAL 294 N -1.13 0.18 0.01 0.50 2.07 -1.46 -0.57 116.25 115.85 3gxf h VAL 294 Ca -0.10 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 3gxf h VAL 294 Cb 0.91 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3gxf h VAL 294 CO 0.09 0.00 -0.13 0.58 0.02 0.00 0.00 177.57 178.14 3gxf h VAL 295 N 0.02 1.63 0.00 2.57 2.07 -1.28 -3.38 116.25 117.87 3gxf h VAL 295 Ca 0.42 -2.01 -0.19 0.00 0.82 0.00 0.00 66.70 65.74 3gxf h VAL 295 Cb 0.69 2.96 -0.03 0.00 -1.52 0.00 0.00 31.29 33.39 3gxf h VAL 295 CO -0.84 0.53 -1.09 -0.07 0.02 0.00 0.00 177.57 176.13 3gxf h LEU 296 N -0.71 0.00 0.00 2.57 3.38 -0.01 -2.94 115.31 117.60 3gxf h LEU 296 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3gxf h LEU 296 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3gxf h LEU 296 CO 0.02 0.77 0.00 0.35 0.09 0.00 0.00 178.44 179.67 3gxf n THR 297 N -3.15 0.24 -3.37 0.22 -2.24 -0.24 -4.49 114.28 101.24 3gxf n THR 297 Ca -0.05 0.06 -0.44 0.00 -2.27 0.00 0.00 64.05 61.35 3gxf n THR 297 Cb 0.88 -0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 68.27 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 -2.30 6.15 0.13 3.42 -1.08 -1.11 -4.98 116.67 116.91 3gxf s ASP 298 Ca 0.23 -1.05 0.16 0.00 -0.52 0.00 0.00 52.55 51.37 3gxf s ASP 298 Cb 0.13 -2.20 0.72 0.00 -1.46 0.00 0.00 42.92 40.12 3gxf s ASP 298 CO 0.25 -0.61 1.50 -0.81 0.52 0.00 0.00 175.17 176.03 3gxf n PRO 299 N 5.36 0.09 0.09 4.34 -0.04 -1.26 -1.43 135.00 142.15 3gxf n PRO 299 Ca -0.11 0.40 -0.14 0.00 -0.04 0.00 0.00 63.50 63.62 3gxf n PRO 299 Cb 0.45 -1.69 -0.13 0.00 -0.04 0.00 0.00 33.50 32.09 3gxf n PRO 299 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3gxf h GLU 300 N 0.00 0.22 -0.10 0.54 4.57 -1.93 -3.00 114.58 114.88 3gxf h GLU 300 Ca 0.00 -0.37 -0.22 0.00 -1.18 0.00 0.00 59.36 57.59 3gxf h GLU 300 Cb 0.21 0.14 0.01 0.00 -0.16 0.00 0.00 28.75 28.95 3gxf h GLU 300 CO 0.00 1.17 -0.79 0.00 -1.18 0.00 0.00 179.01 178.21 3gxf h ALA 301 N 0.68 0.23 -0.72 2.92 0.00 -1.74 -3.40 119.26 117.23 3gxf h ALA 301 Ca -0.11 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.15 3gxf h ALA 301 Cb 1.91 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.68 3gxf h ALA 301 CO 0.19 0.61 0.25 0.00 0.00 0.00 0.00 179.25 180.30 3gxf h ALA 302 N 0.48 1.08 0.00 0.00 0.00 -1.27 -1.74 119.26 117.81 3gxf h ALA 302 Ca -0.07 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3gxf h ALA 302 Cb 1.43 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3gxf h ALA 302 CO 0.16 0.64 0.00 1.57 0.00 0.00 0.00 179.25 181.62 3gxf h LYS 303 N 1.06 0.00 0.00 0.00 2.10 -1.73 -2.80 116.57 115.19 3gxf h LYS 303 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 3gxf h LYS 303 Cb 0.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 3gxf h LYS 303 CO -0.01 0.00 -1.06 0.66 -2.00 0.00 0.00 179.45 177.04 3gxf n TYR 304 N -3.00 0.20 -3.34 0.07 0.53 -0.66 -4.93 117.16 106.03 3gxf n TYR 304 Ca -0.02 0.06 -0.41 0.00 -1.02 0.00 0.00 57.90 56.50 3gxf n TYR 304 Cb 0.10 -0.37 -0.09 0.00 -1.03 0.00 0.00 39.34 37.96 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 -3.18 5.11 0.13 -0.72 1.01 -1.06 -4.29 120.40 117.40 3gxf s VAL 305 Ca 0.04 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.13 3gxf s VAL 305 Cb 0.15 -3.90 -0.20 0.00 0.00 0.00 0.00 36.38 32.43 3gxf s VAL 305 CO 0.81 -0.18 1.30 -0.74 0.00 0.00 0.00 175.10 176.29 3gxf h HIS 306 N 8.50 0.28 -2.01 5.22 2.76 -1.19 -3.49 115.15 125.22 3gxf h HIS 306 Ca -0.29 -0.18 0.19 0.00 -2.20 0.00 0.00 60.37 57.90 3gxf h HIS 306 Cb 1.13 -0.02 -0.13 0.00 1.55 0.00 0.00 27.41 29.94 3gxf h HIS 306 CO 0.69 1.06 0.61 0.20 -1.30 0.00 0.00 177.93 179.19 3gxf s GLY 307 N -4.59 -0.35 -0.21 5.26 0.00 -1.15 -3.22 107.32 103.06 3gxf s GLY 307 Ca -0.02 0.78 -0.05 0.00 0.00 0.00 0.00 44.72 45.43 3gxf s GLY 307 CO 0.84 0.23 -0.01 -0.42 0.00 0.00 0.00 173.10 173.74 3gxf s ILE 308 N -2.93 3.84 -0.13 0.90 1.01 0.84 -1.31 121.20 123.42 3gxf s ILE 308 Ca 0.10 -0.35 -0.09 0.00 0.00 0.00 0.00 60.65 60.31 3gxf s ILE 308 Cb -0.00 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 3gxf s ILE 308 CO -0.04 0.42 0.16 0.00 0.00 0.00 0.00 174.94 175.49 3gxf s ALA 309 N 1.13 3.81 0.03 9.38 0.00 -0.26 -1.06 121.76 134.79 3gxf s ALA 309 Ca 0.02 -0.61 0.06 0.00 0.00 0.00 0.00 51.96 51.43 3gxf s ALA 309 Cb -0.14 -2.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.89 3gxf s ALA 309 CO 0.01 0.48 -0.19 0.14 0.00 0.00 0.00 175.76 176.20 3gxf s VAL 310 N -0.64 1.50 0.14 0.00 -7.23 0.36 -0.50 120.40 114.03 3gxf s VAL 310 Ca 0.14 -1.07 0.04 0.00 -1.81 0.00 0.00 61.98 59.28 3gxf s VAL 310 Cb -0.12 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 3gxf s VAL 310 CO 0.03 0.20 0.13 -1.00 -0.31 0.00 0.00 175.10 174.15 3gxf s HIS 311 N -0.74 3.19 -0.03 2.82 3.76 -0.34 -0.90 115.29 123.05 3gxf s HIS 311 Ca 0.06 0.02 0.07 0.00 -0.15 0.00 0.00 55.06 55.06 3gxf s HIS 311 Cb -0.08 -1.55 -0.24 0.00 1.11 0.00 0.00 32.58 31.82 3gxf s HIS 311 CO 0.01 0.52 0.72 0.11 -0.85 0.00 0.00 174.74 175.26 3gxf h TRP 312 N 2.64 0.12 -0.21 1.40 5.08 -1.75 -3.26 115.95 119.98 3gxf h TRP 312 Ca -0.47 -0.09 0.08 0.00 1.08 0.00 0.00 58.89 59.49 3gxf h TRP 312 Cb 1.19 -0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.32 3gxf h TRP 312 CO 0.58 1.15 0.12 0.66 -1.28 0.00 0.00 178.44 179.68 3gxf n TYR 313 N -3.19 0.17 -0.45 0.12 4.02 -1.26 0.18 117.16 116.74 3gxf n TYR 313 Ca -0.17 0.18 0.06 0.00 -0.01 0.00 0.00 57.90 57.96 3gxf n TYR 313 Cb 1.04 -0.59 0.18 0.00 -0.02 0.00 0.00 39.34 39.95 3gxf n TYR 313 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3gxf n LEU 314 N -3.23 3.22 -0.31 7.72 4.77 -1.26 -4.65 117.00 123.26 3gxf n LEU 314 Ca 0.07 -2.35 0.15 0.00 -0.03 0.00 0.00 56.01 53.85 3gxf n LEU 314 Cb 0.25 -0.33 0.34 0.00 -2.33 0.00 0.00 43.42 41.35 3gxf n LEU 314 CO 0.01 0.71 1.03 0.44 -1.33 0.00 0.00 177.39 178.25 3gxf h ASP 315 N 1.88 0.27 -0.04 -1.43 3.32 0.15 -2.03 116.42 118.54 3gxf h ASP 315 Ca 0.00 0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3gxf h ASP 315 Cb 0.97 0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 3gxf h ASP 315 CO 0.08 -0.08 0.02 2.19 -1.72 0.00 0.00 179.24 179.73 3gxf h PHE 316 N 0.33 0.09 -0.37 4.55 -0.00 -1.83 -0.83 116.94 118.89 3gxf h PHE 316 Ca 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.57 3gxf h PHE 316 Cb 1.21 -0.03 0.00 0.00 -0.00 0.00 0.00 35.95 37.13 3gxf h PHE 316 CO -0.15 0.09 0.00 1.47 -0.00 0.00 0.00 178.31 179.72 3gxf n LEU 317 N -4.49 3.26 -3.84 2.10 -0.00 -0.79 -4.76 117.00 108.47 3gxf n LEU 317 Ca -0.02 -1.55 -0.30 0.00 -0.00 0.00 0.00 56.01 54.14 3gxf n LEU 317 Cb 0.11 -0.24 -0.14 0.00 -0.00 0.00 0.00 43.42 43.16 3gxf n LEU 317 CO 0.35 0.72 -0.23 0.00 -0.00 0.00 0.00 177.39 178.23 3gxf s ALA 318 N -1.32 2.69 0.39 1.47 0.00 -0.32 -5.02 121.76 119.65 3gxf s ALA 318 Ca 0.34 -2.84 -0.27 0.00 0.00 0.00 0.00 51.96 49.19 3gxf s ALA 318 Cb 0.20 -2.00 -0.11 0.00 0.00 0.00 0.00 23.12 21.21 3gxf s ALA 318 CO 0.28 -1.99 1.32 -2.30 0.00 0.00 0.00 175.76 173.07 3gxf n PRO 319 N 3.48 2.14 -0.00 0.00 -0.02 -1.26 -4.73 135.00 134.62 3gxf n PRO 319 Ca 0.06 0.76 -0.11 0.00 -2.02 0.00 0.00 63.50 62.19 3gxf n PRO 319 Cb 0.34 -2.43 -0.04 0.00 -0.02 0.00 0.00 33.50 31.35 3gxf n PRO 319 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gxf h ALA 320 N 2.40 -0.38 -0.46 3.55 0.00 -1.98 -2.91 119.26 119.48 3gxf h ALA 320 Ca -0.48 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.52 3gxf h ALA 320 Cb 1.28 0.62 -0.09 0.00 0.00 0.00 0.00 17.79 19.60 3gxf h ALA 320 CO 0.62 -0.80 -0.46 -0.22 0.00 0.00 0.00 179.25 178.38 3gxf h LYS 321 N -0.40 -0.30 -0.12 0.00 3.64 -1.95 -1.12 116.57 116.32 3gxf h LYS 321 Ca 0.10 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 3gxf h LYS 321 Cb 0.55 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3gxf h LYS 321 CO -0.36 -0.20 0.15 0.00 -2.27 0.00 0.00 179.45 176.77 3gxf h ALA 322 N 0.37 1.64 -3.00 5.00 0.00 -1.92 0.39 119.26 121.74 3gxf h ALA 322 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3gxf h ALA 322 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3gxf h ALA 322 CO -0.62 -0.21 0.00 0.25 0.00 0.00 0.00 179.25 178.67 3gxf n THR 323 N -3.68 0.00 -0.07 0.00 -2.24 -0.72 -4.30 114.28 103.28 3gxf n THR 323 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 3gxf n THR 323 Cb 0.26 -0.76 -0.01 0.00 -2.10 0.00 0.00 70.33 67.72 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 -0.31 0.32 3.22 3.38 -1.42 -1.89 115.31 118.62 3gxf h LEU 324 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3gxf h LEU 324 Cb 0.00 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3gxf h LEU 324 CO 0.00 -0.11 -0.34 1.23 0.09 0.00 0.00 178.44 179.30 3gxf h GLY 325 N -0.03 -0.78 0.57 0.83 0.00 -0.83 -1.93 103.07 100.89 3gxf h GLY 325 Ca 0.13 0.40 0.08 0.00 0.00 0.00 0.00 47.33 47.94 3gxf h GLY 325 CO -0.30 -0.29 0.34 -2.09 0.00 0.00 0.00 176.54 174.21 3gxf h GLU 326 N -0.70 0.59 -0.32 4.80 4.57 -0.96 0.04 114.58 122.60 3gxf h GLU 326 Ca -0.02 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.17 3gxf h GLU 326 Cb 0.64 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.06 3gxf h GLU 326 CO -0.08 0.39 0.10 1.15 -1.18 0.00 0.00 179.01 179.40 3gxf h THR 327 N 0.61 0.90 -0.61 0.32 2.02 -1.26 0.33 112.91 115.21 3gxf h THR 327 Ca 0.32 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.42 3gxf h THR 327 Cb 0.28 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 3gxf h THR 327 CO -0.23 0.04 0.38 -0.74 0.37 0.00 0.00 175.52 175.35 3gxf h HIS 328 N 0.23 0.80 -0.43 3.16 -0.00 -1.07 0.14 115.15 117.98 3gxf h HIS 328 Ca 0.14 0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.61 3gxf h HIS 328 Cb 0.13 -0.26 -0.09 0.00 -0.00 0.00 0.00 27.41 27.19 3gxf h HIS 328 CO -0.15 0.53 -0.15 -0.09 -0.00 0.00 0.00 177.93 178.07 3gxf h ARG 329 N 0.83 -0.06 -0.02 5.26 9.65 -0.45 -1.34 114.38 128.26 3gxf h ARG 329 Ca 0.22 0.00 -0.20 0.00 -1.10 0.00 0.00 59.98 58.91 3gxf h ARG 329 Cb -0.05 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 3gxf h ARG 329 CO -0.04 -0.04 -0.84 -0.07 2.80 0.00 0.00 179.97 181.78 3gxf h LEU 330 N -0.06 0.36 -5.99 3.80 3.38 -0.59 -3.39 115.31 112.84 3gxf h LEU 330 Ca 0.21 -0.27 -0.55 0.00 0.09 0.00 0.00 57.88 57.35 3gxf h LEU 330 Cb 0.37 -0.11 -0.40 0.00 0.09 0.00 0.00 40.66 40.62 3gxf h LEU 330 CO -0.47 1.05 -1.02 0.49 0.09 0.00 0.00 178.44 178.58 3gxf n PHE 331 N -3.73 0.65 0.32 1.13 3.01 0.46 -4.95 117.46 114.35 3gxf n PHE 331 Ca -0.04 -3.74 0.16 0.00 1.01 0.00 0.00 57.45 54.84 3gxf n PHE 331 Cb 0.78 -0.41 0.65 0.00 -0.01 0.00 0.00 39.48 40.49 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 3.75 0.00 -0.19 -1.08 0.13 -1.45 -1.93 132.00 131.23 3gxf h PRO 332 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3gxf h PRO 332 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3gxf h PRO 332 CO 0.55 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.41 3gxf n ASN 333 N -2.81 2.14 -4.17 1.44 3.02 -1.26 -4.70 115.26 108.92 3gxf n ASN 333 Ca 0.01 -1.77 -0.38 0.00 -0.03 0.00 0.00 54.58 52.41 3gxf n ASN 333 Cb 0.27 -0.12 -0.11 0.00 -0.61 0.00 0.00 39.78 39.21 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 -1.76 3.58 0.45 3.41 2.01 -0.73 -5.02 115.64 117.58 3gxf s THR 334 Ca 0.34 -1.80 -0.23 0.00 0.31 0.00 0.00 61.69 60.32 3gxf s THR 334 Cb 0.19 -3.33 -0.10 0.00 0.01 0.00 0.00 72.50 69.26 3gxf s THR 334 CO 0.28 -0.59 0.83 1.15 -0.69 0.00 0.00 174.62 175.61 3gxf n MET 335 N 4.71 1.01 -3.97 4.92 0.00 -1.20 -4.65 117.12 117.94 3gxf n MET 335 Ca -0.06 0.37 -0.35 0.00 0.00 0.00 0.00 57.70 57.66 3gxf n MET 335 Cb 0.42 -1.87 -0.09 0.00 0.00 0.00 0.00 33.22 31.68 3gxf n MET 335 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3gxf s LEU 336 N 0.06 3.92 -0.04 3.17 1.43 -1.26 -0.11 118.68 125.85 3gxf s LEU 336 Ca 0.65 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.89 3gxf s LEU 336 Cb -0.55 -1.98 0.03 0.00 0.03 0.00 0.00 46.19 43.72 3gxf s LEU 336 CO 0.56 0.21 0.07 0.12 0.23 0.00 0.00 176.35 177.55 3gxf s PHE 337 N 0.13 -0.05 -0.36 0.29 5.36 -0.23 -0.75 117.98 122.38 3gxf s PHE 337 Ca 0.06 0.26 -0.20 0.00 -0.96 0.00 0.00 56.93 56.09 3gxf s PHE 337 Cb -0.12 -0.17 0.00 0.00 -0.34 0.00 0.00 43.02 42.39 3gxf s PHE 337 CO 0.00 -0.12 0.62 0.00 -1.46 0.00 0.00 175.22 174.26 3gxf s ALA 338 N 1.07 3.46 -1.80 11.12 0.00 -0.78 -0.49 121.76 134.34 3gxf s ALA 338 Ca -0.09 -0.89 0.19 0.00 0.00 0.00 0.00 51.96 51.18 3gxf s ALA 338 Cb -0.12 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.85 3gxf s ALA 338 CO -0.04 -1.33 0.98 -1.13 0.00 0.00 0.00 175.76 174.24 3gxf n SER 339 N 6.00 1.88 -3.64 0.00 3.41 -0.08 -0.34 113.62 120.85 3gxf n SER 339 Ca -0.02 -1.44 -0.03 0.00 -0.26 0.00 0.00 58.87 57.12 3gxf n SER 339 Cb 0.49 0.45 -0.07 0.00 -0.26 0.00 0.00 64.21 64.82 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 -2.16 0.29 0.01 4.33 2.12 -0.97 -4.72 118.70 117.61 3gxf s GLU 340 Ca 0.16 0.44 -0.08 0.00 0.36 0.00 0.00 54.97 55.86 3gxf s GLU 340 Cb 0.16 0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.64 3gxf s GLU 340 CO 0.47 -0.05 0.15 0.00 -0.54 0.00 0.00 175.26 175.29 3gxf s ALA 341 N 0.84 -0.32 -0.14 6.30 0.00 -0.96 -2.10 121.76 125.38 3gxf s ALA 341 Ca -0.04 -0.20 -0.22 0.00 0.00 0.00 0.00 51.96 51.50 3gxf s ALA 341 Cb -0.04 0.16 0.05 0.00 0.00 0.00 0.00 23.12 23.29 3gxf s ALA 341 CO -0.12 -0.25 0.57 0.00 0.00 0.00 0.00 175.76 175.95 3gxf n VAL 343 N 2.02 1.84 -3.25 0.00 0.24 -1.26 -4.84 118.33 113.06 3gxf n VAL 343 Ca -0.16 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.34 61.61 3gxf n VAL 343 Cb 0.56 -0.45 -0.05 0.00 -1.47 0.00 0.00 33.84 32.44 3gxf n VAL 343 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3gxf s GLY 344 N -0.85 -0.70 0.00 7.63 0.00 -1.26 -0.28 107.32 111.86 3gxf s GLY 344 Ca 0.62 1.34 0.00 0.00 0.00 0.00 0.00 44.72 46.68 3gxf s GLY 344 CO 0.58 3.01 0.00 -1.26 0.00 0.00 0.00 173.10 175.43 3gxf n SER 345 N 5.40 0.00 -4.83 1.64 2.88 -1.26 -4.04 113.62 113.40 3gxf n SER 345 Ca -0.02 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.17 3gxf n SER 345 Cb 0.51 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.90 3gxf n SER 345 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3gxf s LYS 346 N 0.00 4.18 0.46 -1.46 1.02 -1.26 -4.94 119.74 117.74 3gxf s LYS 346 Ca 0.00 0.83 0.29 0.00 0.02 0.00 0.00 55.97 57.11 3gxf s LYS 346 Cb 0.00 -2.69 1.36 0.00 -0.52 0.00 0.00 37.83 35.99 3gxf s LYS 346 CO 0.00 0.29 1.73 0.27 -0.92 0.00 0.00 175.35 176.72 3gxf h PHE 347 N 2.93 0.38 0.00 3.18 -0.00 -2.04 0.33 116.94 121.72 3gxf h PHE 347 Ca -0.48 0.01 -0.14 0.00 -0.00 0.00 0.00 57.97 57.37 3gxf h PHE 347 Cb 1.19 -0.10 -0.02 0.00 -0.00 0.00 0.00 35.95 37.01 3gxf h PHE 347 CO 0.63 -0.03 -0.68 0.11 -0.00 0.00 0.00 178.31 178.34 3gxf h TRP 348 N 0.17 0.00 -3.26 6.09 5.08 -1.97 -3.47 115.95 118.59 3gxf h TRP 348 Ca 0.67 0.00 -0.54 0.00 1.08 0.00 0.00 58.89 60.09 3gxf h TRP 348 Cb 2.16 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 28.31 3gxf h TRP 348 CO -0.00 0.66 0.51 -1.21 -1.28 0.00 0.00 178.44 177.12 3gxf s GLU 349 N -2.88 4.46 0.40 0.12 2.02 0.12 -5.06 118.70 117.89 3gxf s GLU 349 Ca 0.03 1.58 -0.24 0.00 0.02 0.00 0.00 54.97 56.36 3gxf s GLU 349 Cb 0.08 -3.45 -0.09 0.00 0.10 0.00 0.00 34.13 30.77 3gxf s GLU 349 CO 0.77 -0.22 1.04 -1.14 0.02 0.00 0.00 175.26 175.73 3gxf s GLN 350 N 1.35 4.17 0.00 1.61 0.74 -1.26 -4.46 119.66 121.82 3gxf s GLN 350 Ca 0.55 1.48 0.00 0.00 0.05 0.00 0.00 55.36 57.43 3gxf s GLN 350 Cb -0.24 -2.52 0.00 0.00 1.10 0.00 0.00 33.01 31.35 3gxf s GLN 350 CO 0.26 -0.13 0.64 0.43 -0.55 0.00 0.00 175.29 175.95 3gxf n SER 351 N -0.10 0.00 -4.35 6.67 7.64 -1.26 -4.57 113.62 117.65 3gxf n SER 351 Ca 0.05 0.75 -0.35 0.00 1.01 0.00 0.00 58.87 60.32 3gxf n SER 351 Cb 0.50 -0.38 -0.14 0.00 -1.01 0.00 0.00 64.21 63.18 3gxf n SER 351 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3gxf s VAL 352 N -2.05 3.57 -0.39 0.44 1.01 -1.26 -2.60 120.40 119.12 3gxf s VAL 352 Ca 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 3gxf s VAL 352 Cb 0.00 -2.63 0.10 0.00 0.00 0.00 0.00 36.38 33.85 3gxf s VAL 352 CO 0.00 0.41 0.18 -0.13 0.00 0.00 0.00 175.10 175.56 3gxf s ARG 353 N 1.43 2.01 -0.01 2.72 0.52 -1.26 -5.03 118.95 119.33 3gxf s ARG 353 Ca 0.05 -1.77 -0.31 0.00 -0.52 0.00 0.00 55.73 53.18 3gxf s ARG 353 Cb -0.14 -3.53 -0.09 0.00 0.52 0.00 0.00 34.95 31.71 3gxf s ARG 353 CO -0.01 -1.02 1.99 1.28 0.02 0.00 0.00 175.30 177.55 3gxf n LEU 354 N 4.58 3.95 0.00 2.53 4.77 -1.26 -2.02 117.00 129.55 3gxf n LEU 354 Ca -0.03 0.85 0.00 0.00 -0.03 0.00 0.00 56.01 56.80 3gxf n LEU 354 Cb 0.42 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 3gxf n LEU 354 CO 0.32 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3gxf n GLY 355 N 4.66 0.75 3.68 -0.72 0.00 -1.26 -4.41 105.19 107.89 3gxf n GLY 355 Ca 0.22 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.78 3gxf n GLY 355 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gxf n SER 356 N 0.00 3.61 0.00 1.61 2.88 -0.85 -2.10 113.62 118.77 3gxf n SER 356 Ca 0.00 0.98 -0.10 0.00 -1.33 0.00 0.00 58.87 58.42 3gxf n SER 356 Cb 0.00 -1.44 -0.14 0.00 -0.75 0.00 0.00 64.21 61.89 3gxf n SER 356 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 3gxf h TRP 357 N 8.72 0.09 -0.90 0.66 2.91 -1.91 -3.28 115.95 122.24 3gxf h TRP 357 Ca -0.48 -0.06 0.08 0.00 1.13 0.00 0.00 58.89 59.56 3gxf h TRP 357 Cb 1.25 -0.00 -0.07 0.00 -0.51 0.00 0.00 29.16 29.83 3gxf h TRP 357 CO 0.83 1.11 0.55 0.22 -1.03 0.00 0.00 178.44 180.12 3gxf h ASP 358 N 0.01 0.85 0.13 2.65 3.58 -1.97 -2.21 116.42 119.46 3gxf h ASP 358 Ca -0.25 0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.13 3gxf h ASP 358 Cb 1.98 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.87 3gxf h ASP 358 CO 0.10 0.51 -0.35 0.03 -2.88 0.00 0.00 179.24 176.65 3gxf h ARG 359 N 0.96 0.31 -0.16 0.28 3.08 -1.98 -1.78 114.38 115.10 3gxf h ARG 359 Ca 0.41 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 3gxf h ARG 359 Cb 0.28 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3gxf h ARG 359 CO -0.21 0.62 0.07 0.78 -1.07 0.00 0.00 179.97 180.16 3gxf h GLY 360 N 1.12 0.25 1.61 0.04 0.00 -1.47 -2.75 103.07 101.87 3gxf h GLY 360 Ca 0.03 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 3gxf h GLY 360 CO 0.06 0.12 -0.20 -0.33 0.00 0.00 0.00 176.54 176.19 3gxf h MET 361 N 0.11 0.46 -0.69 4.80 2.86 -1.27 -2.06 114.93 119.14 3gxf h MET 361 Ca 0.05 -0.15 0.09 0.00 -2.06 0.00 0.00 59.70 57.63 3gxf h MET 361 Cb 0.15 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 31.70 3gxf h MET 361 CO -0.01 0.64 0.34 1.96 1.06 0.00 0.00 176.91 180.91 3gxf h GLN 362 N 0.42 0.58 0.65 1.72 4.20 -1.18 0.32 115.11 121.82 3gxf h GLN 362 Ca 0.07 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 3gxf h GLN 362 Cb 0.58 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 28.24 3gxf h GLN 362 CO 0.04 0.38 -0.31 1.88 -0.67 0.00 0.00 178.83 180.15 3gxf h TYR 363 N 0.59 -0.81 -0.59 2.96 -1.99 -1.09 -0.93 116.97 115.10 3gxf h TYR 363 Ca 0.34 -0.02 0.02 0.00 2.00 0.00 0.00 58.73 61.07 3gxf h TYR 363 Cb 0.34 0.27 -0.03 0.00 2.00 0.00 0.00 36.73 39.31 3gxf h TYR 363 CO -0.11 -0.51 0.39 0.66 -0.00 0.00 0.00 178.16 178.60 3gxf h SER 364 N -1.07 0.63 -0.46 3.88 4.64 -1.50 0.19 113.55 119.86 3gxf h SER 364 Ca -0.09 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3gxf h SER 364 Cb 0.67 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 3gxf h SER 364 CO 0.15 0.44 0.28 -0.74 -0.87 0.00 0.00 176.83 176.09 3gxf h HIS 365 N 0.73 0.61 -0.17 4.77 -0.00 -0.33 -1.52 115.15 119.24 3gxf h HIS 365 Ca 0.23 -0.00 -0.19 0.00 -0.00 0.00 0.00 60.37 60.41 3gxf h HIS 365 Cb 0.02 -0.20 -0.00 0.00 -0.00 0.00 0.00 27.41 27.23 3gxf h HIS 365 CO -0.00 0.43 -0.65 1.03 -0.00 0.00 0.00 177.93 178.74 3gxf h SER 366 N 0.62 0.73 -0.65 3.26 0.87 -0.50 -2.02 113.55 115.85 3gxf h SER 366 Ca 0.17 -0.43 0.07 0.00 -1.23 0.00 0.00 61.79 60.36 3gxf h SER 366 Cb 0.00 -0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 61.69 3gxf h SER 366 CO -0.03 1.19 0.34 0.40 -0.53 0.00 0.00 176.83 178.20 3gxf h ILE 367 N 0.46 0.93 -0.32 2.23 2.04 -0.56 -1.33 117.51 120.97 3gxf h ILE 367 Ca -0.02 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 3gxf h ILE 367 Cb 1.24 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3gxf h ILE 367 CO 0.13 0.11 -0.08 0.40 0.00 0.00 0.00 178.15 178.71 3gxf h ILE 368 N 0.62 1.28 -0.80 -0.67 2.04 -1.08 -0.79 117.51 118.11 3gxf h ILE 368 Ca 0.30 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 3gxf h ILE 368 Cb 0.23 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 3gxf h ILE 368 CO -0.20 0.36 0.45 0.74 0.00 0.00 0.00 178.15 179.50 3gxf h THR 369 N 0.39 1.23 -0.36 -0.27 2.02 -1.24 -1.77 112.91 112.92 3gxf h THR 369 Ca 0.08 -0.56 0.01 0.00 0.77 0.00 0.00 66.41 66.71 3gxf h THR 369 Cb 0.57 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 3gxf h THR 369 CO 0.03 0.26 0.22 0.78 0.37 0.00 0.00 175.52 177.18 3gxf h ASN 370 N 1.11 0.36 0.69 4.18 2.35 -0.97 -1.91 115.58 121.40 3gxf h ASN 370 Ca 0.28 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.03 3gxf h ASN 370 Cb 0.01 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 3gxf h ASN 370 CO -0.05 0.26 -0.02 -0.07 -1.65 0.00 0.00 177.43 175.91 3gxf h LEU 371 N 0.45 0.00 0.00 1.61 3.38 -0.85 -2.02 115.31 117.87 3gxf h LEU 371 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3gxf h LEU 371 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3gxf h LEU 371 CO -0.05 0.02 -0.52 0.18 0.09 0.00 0.00 178.44 178.15 3gxf n LEU 372 N -3.14 0.52 -2.27 1.67 4.77 -0.69 -3.97 117.00 113.88 3gxf n LEU 372 Ca -0.01 0.07 -0.26 0.00 -0.03 0.00 0.00 56.01 55.79 3gxf n LEU 372 Cb 0.24 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3gxf n LEU 372 CO 0.26 0.08 0.18 -1.22 -1.33 0.00 0.00 177.39 175.36 3gxf n TYR 373 N -1.64 3.10 -0.50 -1.77 4.02 -0.93 -4.98 117.16 114.46 3gxf n TYR 373 Ca 0.05 -2.71 0.00 0.00 -0.01 0.00 0.00 57.90 55.23 3gxf n TYR 373 Cb 0.36 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 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 -2.83 -0.72 8.25 -1.19 -4.62 115.22 113.52 3gxf n HIS 374 Ca 0.41 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.47 3gxf n HIS 374 Cb 0.80 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.86 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 -3.24 4.51 -1.41 1.59 1.01 -0.80 -4.43 120.40 117.63 3gxf s VAL 375 Ca 0.00 1.91 0.25 0.00 0.00 0.00 0.00 61.98 64.14 3gxf s VAL 375 Cb 0.00 -4.25 0.07 0.00 0.00 0.00 0.00 36.38 32.20 3gxf s VAL 375 CO 0.00 0.37 1.36 1.33 0.00 0.00 0.00 175.10 178.16 3gxf n VAL 376 N 2.56 0.00 -3.64 2.92 0.24 0.07 -4.45 118.33 116.05 3gxf n VAL 376 Ca -0.00 -0.08 -0.06 0.00 -2.04 0.00 0.00 64.34 62.16 3gxf n VAL 376 Cb 0.49 0.53 -0.02 0.00 -1.47 0.00 0.00 33.84 33.38 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 -2.75 -0.34 -0.06 7.63 0.00 -1.26 0.14 107.32 110.67 3gxf s GLY 377 Ca 0.17 0.53 -0.03 0.00 0.00 0.00 0.00 44.72 45.38 3gxf s GLY 377 CO 0.64 0.15 0.14 0.86 0.00 0.00 0.00 173.10 174.89 3gxf s TRP 378 N -3.21 -0.16 -0.10 1.90 -0.00 0.08 -1.87 118.94 115.57 3gxf s TRP 378 Ca 0.09 0.44 -0.01 0.00 -0.00 0.00 0.00 56.10 56.62 3gxf s TRP 378 Cb -0.01 -0.04 0.03 0.00 -0.00 0.00 0.00 33.47 33.44 3gxf s TRP 378 CO -0.03 -0.14 -0.04 0.99 -0.00 0.00 0.00 176.95 177.74 3gxf s THR 379 N 0.84 0.72 0.82 5.86 2.01 0.54 -2.28 115.64 124.16 3gxf s THR 379 Ca -0.06 -0.13 -0.11 0.00 0.31 0.00 0.00 61.69 61.69 3gxf s THR 379 Cb -0.08 -0.83 0.09 0.00 0.01 0.00 0.00 72.50 71.68 3gxf s THR 379 CO -0.04 0.29 1.09 -0.62 -0.69 0.00 0.00 174.62 174.65 3gxf s ASP 380 N 1.83 4.12 0.00 3.53 2.15 0.25 -2.27 116.67 126.28 3gxf s ASP 380 Ca 0.05 1.57 0.00 0.00 0.43 0.00 0.00 52.55 54.60 3gxf s ASP 380 Cb -0.13 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 3gxf s ASP 380 CO -0.07 -2.24 0.00 1.87 -0.17 0.00 0.00 175.17 174.56 3gxf n TRP 381 N -3.63 0.00 -1.60 -5.34 -0.00 -0.73 -2.89 117.44 103.25 3gxf n TRP 381 Ca 0.08 0.00 -0.58 0.00 -0.00 0.00 0.00 57.50 57.00 3gxf n TRP 381 Cb 0.55 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 1.15 -0.20 5.87 3.02 -1.26 -0.45 115.26 123.38 3gxf n ASN 382 Ca 0.00 1.14 -0.06 0.00 -0.03 0.00 0.00 54.58 55.63 3gxf n ASN 382 Cb 0.00 -1.04 0.04 0.00 -0.61 0.00 0.00 39.78 38.17 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 4.55 0.64 -7.72 3.41 3.38 -1.64 -3.41 115.31 114.51 3gxf h LEU 383 Ca -0.48 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.29 3gxf h LEU 383 Cb 1.37 -0.15 -0.25 0.00 0.09 0.00 0.00 40.66 41.72 3gxf h LEU 383 CO 0.80 0.46 -0.61 0.00 0.09 0.00 0.00 178.44 179.17 3gxf s ALA 384 N -6.14 -0.17 0.13 1.53 0.00 -1.26 -3.64 121.76 112.20 3gxf s ALA 384 Ca -0.13 0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.86 3gxf s ALA 384 Cb 0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 3gxf s ALA 384 CO 0.75 -0.09 -0.01 -0.51 0.00 0.00 0.00 175.76 175.91 3gxf s LEU 385 N -0.48 2.18 0.87 0.00 1.43 -0.57 -3.80 118.68 118.32 3gxf s LEU 385 Ca -0.05 -1.12 -0.13 0.00 -1.03 0.00 0.00 54.13 51.79 3gxf s LEU 385 Cb -0.04 0.05 0.13 0.00 0.03 0.00 0.00 46.19 46.37 3gxf s LEU 385 CO 0.00 -0.58 1.24 0.54 0.23 0.00 0.00 176.35 177.77 3gxf s ASN 386 N -3.08 3.89 0.05 2.29 2.20 -0.62 -0.03 114.94 119.64 3gxf s ASN 386 Ca 0.19 0.52 0.14 0.00 -0.94 0.00 0.00 52.86 52.77 3gxf s ASN 386 Cb 0.06 -0.82 0.58 0.00 -2.00 0.00 0.00 41.25 39.08 3gxf s ASN 386 CO -0.00 -2.26 1.43 -2.65 -2.94 0.00 0.00 177.10 170.67 3gxf n PRO 387 N -3.50 0.03 0.10 3.55 -0.02 -1.25 -1.36 135.00 132.56 3gxf n PRO 387 Ca 0.11 0.33 0.03 0.00 -2.02 0.00 0.00 63.50 61.96 3gxf n PRO 387 Cb 0.60 -1.57 -0.01 0.00 -0.02 0.00 0.00 33.50 32.50 3gxf n PRO 387 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3gxf h GLU 388 N 0.00 0.00 -0.05 -0.52 4.81 -1.94 -3.42 114.58 113.45 3gxf h GLU 388 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3gxf h GLU 388 Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3gxf h GLU 388 CO 0.00 0.32 0.00 0.41 -0.73 0.00 0.00 179.01 179.01 3gxf n GLY 389 N 1.27 1.49 0.00 1.92 0.00 -0.46 -4.61 105.19 104.80 3gxf n GLY 389 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.74 4.19 3.76 -0.02 0.00 -1.26 -2.20 105.19 108.92 3gxf n GLY 390 Ca 0.00 -1.40 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.46 3.35 -0.08 1.61 0.04 -1.26 -1.59 135.00 136.61 3gxf s PRO 391 Ca 0.00 2.01 -0.03 0.00 0.04 0.00 0.00 61.00 63.03 3gxf s PRO 391 Cb 0.00 -2.28 0.04 0.00 0.04 0.00 0.00 34.50 32.31 3gxf s PRO 391 CO 0.00 -0.95 0.10 1.21 0.04 0.00 0.00 177.00 177.40 3gxf s ASN 392 N -1.18 1.20 0.62 6.66 3.84 -1.26 -4.28 114.94 120.54 3gxf s ASN 392 Ca 0.69 0.05 0.38 0.00 0.21 0.00 0.00 52.86 54.19 3gxf s ASN 392 Cb -0.35 0.00 2.07 0.00 -0.55 0.00 0.00 41.25 42.42 3gxf s ASN 392 CO 0.41 -0.27 2.16 4.11 -2.79 0.00 0.00 177.10 180.73 3gxf h TRP 393 N 8.41 0.00 -0.09 0.43 5.08 -0.57 -0.20 115.95 129.00 3gxf h TRP 393 Ca -0.13 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.84 3gxf h TRP 393 Cb 1.12 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.28 3gxf h TRP 393 CO 0.40 0.00 0.00 1.55 -1.28 0.00 0.00 178.44 179.11 3gxf n VAL 394 N -2.92 1.63 -2.74 0.12 3.14 -1.26 -4.98 118.33 111.32 3gxf n VAL 394 Ca -0.03 -1.71 -0.21 0.00 -2.96 0.00 0.00 64.34 59.43 3gxf n VAL 394 Cb 0.15 0.04 0.01 0.00 -1.06 0.00 0.00 33.84 32.98 3gxf n VAL 394 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3gxf n ARG 395 N -0.78 -3.35 -1.93 1.45 1.74 -0.09 -4.89 116.66 108.82 3gxf n ARG 395 Ca 0.12 0.93 -0.36 0.00 -0.77 0.00 0.00 57.85 57.77 3gxf n ARG 395 Cb 0.56 -5.69 -0.01 0.00 -1.02 0.00 0.00 32.46 26.30 3gxf n ARG 395 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3gxf n ASN 396 N -2.27 7.35 -4.77 0.55 5.15 -1.26 -5.00 115.26 115.01 3gxf n ASN 396 Ca -0.17 -3.36 -0.36 0.00 -0.60 0.00 0.00 54.58 50.09 3gxf n ASN 396 Cb 0.65 -1.24 0.00 0.00 -0.53 0.00 0.00 39.78 38.66 3gxf n ASN 396 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3gxf s PHE 397 N -2.31 2.71 0.19 1.20 2.99 -1.26 -4.99 117.98 116.50 3gxf s PHE 397 Ca 0.53 1.52 0.03 0.00 0.00 0.00 0.00 56.93 59.01 3gxf s PHE 397 Cb 0.29 -3.40 -0.01 0.00 0.00 0.00 0.00 43.02 39.89 3gxf s PHE 397 CO -0.19 -1.73 0.19 1.33 -0.00 0.00 0.00 175.22 174.81 3gxf n VAL 398 N -0.89 0.00 -3.76 -0.44 0.24 -0.93 -4.34 118.33 108.20 3gxf n VAL 398 Ca 0.10 -1.25 -0.20 0.00 -2.04 0.00 0.00 64.34 60.95 3gxf n VAL 398 Cb 0.49 0.65 -0.02 0.00 -1.47 0.00 0.00 33.84 33.49 3gxf n VAL 398 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3gxf s ASP 399 N -2.26 6.03 -0.02 -1.34 -1.08 0.61 -4.14 116.67 114.48 3gxf s ASP 399 Ca 0.20 -0.11 -0.10 0.00 -0.52 0.00 0.00 52.55 52.03 3gxf s ASP 399 Cb 0.01 -1.49 0.01 0.00 -1.46 0.00 0.00 42.92 39.99 3gxf s ASP 399 CO 0.14 -0.24 0.21 -0.55 0.52 0.00 0.00 175.17 175.25 3gxf s SER 400 N -4.05 -0.09 0.50 -0.34 0.15 -1.26 -4.83 113.70 103.78 3gxf s SER 400 Ca 0.39 0.00 0.23 0.00 0.70 0.00 0.00 55.95 57.28 3gxf s SER 400 Cb -0.09 0.29 1.30 0.00 -1.71 0.00 0.00 66.02 65.81 3gxf s SER 400 CO 0.29 -0.34 1.95 -0.65 1.20 0.00 0.00 173.24 175.69 3gxf h PRO 401 N 4.43 0.13 -5.18 5.44 0.11 -1.80 -3.40 132.00 131.73 3gxf h PRO 401 Ca -0.29 -0.01 -0.67 0.00 0.11 0.00 0.00 66.00 65.13 3gxf h PRO 401 Cb 1.19 -0.03 -0.34 0.00 0.11 0.00 0.00 31.00 31.93 3gxf h PRO 401 CO 0.40 0.09 -0.87 0.42 -0.21 0.00 0.00 178.00 177.83 3gxf s ILE 402 N -5.14 2.09 -0.16 4.15 1.01 -1.24 -0.03 121.20 121.88 3gxf s ILE 402 Ca -0.06 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.60 3gxf s ILE 402 Cb 0.20 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 3gxf s ILE 402 CO 0.75 0.55 -0.07 -0.63 0.00 0.00 0.00 174.94 175.54 3gxf s ILE 403 N 0.87 3.54 -0.18 2.92 -1.09 -0.64 -1.51 121.20 125.11 3gxf s ILE 403 Ca -0.05 -0.48 -0.05 0.00 -2.23 0.00 0.00 60.65 57.83 3gxf s ILE 403 Cb -0.15 -2.54 -0.03 0.00 -1.58 0.00 0.00 42.46 38.16 3gxf s ILE 403 CO -0.03 0.49 0.01 -0.69 -1.23 0.00 0.00 174.94 173.49 3gxf s VAL 404 N 0.53 4.20 -0.54 2.92 1.01 0.96 -0.39 120.40 129.09 3gxf s VAL 404 Ca -0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 3gxf s VAL 404 Cb -0.15 -2.88 0.14 0.00 0.00 0.00 0.00 36.38 33.49 3gxf s VAL 404 CO 0.03 0.46 0.35 -0.62 0.00 0.00 0.00 175.10 175.31 3gxf s ASP 405 N 0.62 5.22 0.20 3.32 -1.08 -0.38 -3.88 116.67 120.68 3gxf s ASP 405 Ca 0.00 -2.55 -0.08 0.00 -0.52 0.00 0.00 52.55 49.40 3gxf s ASP 405 Cb -0.14 -1.84 0.12 0.00 -1.46 0.00 0.00 42.92 39.60 3gxf s ASP 405 CO 0.02 -0.43 1.70 0.40 0.52 0.00 0.00 175.17 177.38 3gxf h ILE 406 N 5.69 1.26 0.00 4.11 2.04 -1.92 -1.67 117.51 127.03 3gxf h ILE 406 Ca -0.06 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 64.78 3gxf h ILE 406 Cb 0.99 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3gxf h ILE 406 CO 0.71 0.39 -0.01 0.71 0.00 0.00 0.00 178.15 179.95 3gxf h THR 407 N 1.05 0.08 -0.13 -0.27 1.35 -1.94 -2.09 112.91 110.96 3gxf h THR 407 Ca 0.21 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 3gxf h THR 407 Cb 0.42 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 3gxf h THR 407 CO 0.01 0.01 0.00 0.29 -0.25 0.00 0.00 175.52 175.58 3gxf n LYS 408 N -3.18 2.34 -3.92 4.72 4.01 -0.66 -4.96 118.16 116.51 3gxf n LYS 408 Ca -0.02 -2.01 -0.34 0.00 -0.51 0.00 0.00 58.31 55.43 3gxf n LYS 408 Cb 0.11 -1.47 -0.06 0.00 -0.51 0.00 0.00 35.03 33.10 3gxf n LYS 408 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 3gxf n ASP 409 N 1.37 -1.36 -4.35 4.39 2.03 -0.79 -4.95 116.55 112.89 3gxf n ASP 409 Ca 0.15 -0.99 -0.18 0.00 0.52 0.00 0.00 54.79 54.29 3gxf n ASP 409 Cb 0.60 -1.27 -0.10 0.00 -0.72 0.00 0.00 41.12 39.63 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 -2.84 1.63 0.02 5.18 -4.23 -1.02 -4.03 115.64 110.35 3gxf s THR 410 Ca 0.64 -2.17 -0.01 0.00 -1.18 0.00 0.00 61.69 58.96 3gxf s THR 410 Cb -0.37 -2.12 -0.02 0.00 1.34 0.00 0.00 72.50 71.33 3gxf s THR 410 CO 0.82 -0.54 0.00 0.72 -0.54 0.00 0.00 174.62 175.08 3gxf s PHE 411 N -3.04 0.24 -0.26 3.99 -0.12 0.62 -1.25 117.98 118.16 3gxf s PHE 411 Ca 0.24 -0.51 -0.04 0.00 -0.05 0.00 0.00 56.93 56.57 3gxf s PHE 411 Cb 0.01 -0.18 0.01 0.00 -0.63 0.00 0.00 43.02 42.23 3gxf s PHE 411 CO 0.07 -0.23 -0.01 0.71 -0.05 0.00 0.00 175.22 175.72 3gxf s TYR 412 N -1.69 3.08 -0.36 3.49 1.51 0.48 0.02 117.35 123.87 3gxf s TYR 412 Ca -0.14 -1.24 -0.27 0.00 -1.01 0.00 0.00 57.07 54.41 3gxf s TYR 412 Cb -0.08 -2.14 0.02 0.00 -0.11 0.00 0.00 41.96 39.65 3gxf s TYR 412 CO -0.01 -0.64 0.99 0.15 -1.11 0.00 0.00 175.55 174.92 3gxf s LYS 413 N 1.41 3.91 0.68 -0.62 1.02 -0.05 -1.62 119.74 124.46 3gxf s LYS 413 Ca 0.02 0.73 -0.10 0.00 0.02 0.00 0.00 55.97 56.64 3gxf s LYS 413 Cb -0.16 -3.79 0.01 0.00 -0.52 0.00 0.00 37.83 33.37 3gxf s LYS 413 CO -0.02 -0.96 1.05 -0.65 -0.92 0.00 0.00 175.35 173.85 3gxf s GLN 414 N 3.60 2.94 0.35 1.68 -0.21 0.95 -1.60 119.66 127.35 3gxf s GLN 414 Ca 0.41 0.40 0.14 0.00 0.02 0.00 0.00 55.36 56.33 3gxf s GLN 414 Cb -0.12 -2.08 1.04 0.00 1.00 0.00 0.00 33.01 32.85 3gxf s GLN 414 CO 0.19 -0.93 1.70 -1.35 -2.12 0.00 0.00 175.29 172.78 3gxf h PRO 415 N -0.53 0.40 -0.92 2.91 0.11 -1.79 -0.12 132.00 132.06 3gxf h PRO 415 Ca -0.45 -0.02 0.23 0.00 0.11 0.00 0.00 66.00 65.86 3gxf h PRO 415 Cb 1.25 -0.09 -0.12 0.00 0.11 0.00 0.00 31.00 32.14 3gxf h PRO 415 CO 0.63 0.27 0.44 0.52 -0.21 0.00 0.00 178.00 179.65 3gxf h MET 416 N 0.42 0.42 -0.29 1.05 2.86 -1.84 -0.67 114.93 116.87 3gxf h MET 416 Ca 0.69 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 58.31 3gxf h MET 416 Cb 1.54 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 33.09 3gxf h MET 416 CO -0.51 0.28 0.18 0.35 1.06 0.00 0.00 176.91 178.27 3gxf h PHE 417 N 0.44 0.33 -0.13 -0.22 3.57 -1.22 -2.22 116.94 117.50 3gxf h PHE 417 Ca 0.58 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.89 3gxf h PHE 417 Cb 1.11 -0.11 0.01 0.00 2.79 0.00 0.00 35.95 39.75 3gxf h PHE 417 CO -0.11 0.20 -0.70 1.88 -2.23 0.00 0.00 178.31 177.36 3gxf h TYR 418 N 0.36 0.95 -0.74 0.41 -1.99 -1.48 -0.92 116.97 113.56 3gxf h TYR 418 Ca 0.11 -0.42 0.05 0.00 2.00 0.00 0.00 58.73 60.47 3gxf h TYR 418 Cb -0.01 -0.14 -0.05 0.00 2.00 0.00 0.00 36.73 38.52 3gxf h TYR 418 CO -0.07 1.24 0.45 0.45 -0.00 0.00 0.00 178.16 180.23 3gxf h HIS 419 N 0.39 0.83 -0.24 4.88 3.86 -1.11 -0.51 115.15 123.24 3gxf h HIS 419 Ca -0.05 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3gxf h HIS 419 Cb 1.34 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.53 3gxf h HIS 419 CO 0.10 0.44 0.12 -0.07 0.86 0.00 0.00 177.93 179.38 3gxf h LEU 420 N 0.84 0.32 -1.61 2.43 3.38 -1.41 -3.26 115.31 116.00 3gxf h LEU 420 Ca 0.31 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3gxf h LEU 420 Cb 0.12 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3gxf h LEU 420 CO -0.15 0.34 0.18 1.23 0.09 0.00 0.00 178.44 180.12 3gxf h GLY 421 N 0.27 0.46 1.08 0.83 0.00 -0.39 0.87 103.07 106.19 3gxf h GLY 421 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3gxf h GLY 421 CO -0.01 0.18 0.35 0.45 0.00 0.00 0.00 176.54 177.51 3gxf h HIS 422 N 0.44 0.00 0.00 5.60 3.86 -1.16 -1.50 115.15 122.40 3gxf h HIS 422 Ca 0.12 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.25 3gxf h HIS 422 Cb 0.01 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 3gxf h HIS 422 CO 0.00 0.00 -0.91 1.19 0.86 0.00 0.00 177.93 179.07 3gxf n PHE 423 N -2.08 0.00 -0.25 2.45 3.01 0.22 -4.61 117.46 116.20 3gxf n PHE 423 Ca -0.01 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.48 3gxf n PHE 423 Cb 0.37 -0.24 0.26 0.00 -0.01 0.00 0.00 39.48 39.86 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 -0.32 0.86 0.43 4.37 4.64 -1.25 -0.14 113.55 122.14 3gxf h SER 424 Ca -0.11 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.12 3gxf h SER 424 Cb 0.76 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 3gxf h SER 424 CO -0.07 0.58 -0.37 0.50 -0.87 0.00 0.00 176.83 176.60 3gxf h LYS 425 N 0.99 0.00 0.00 4.77 3.64 -0.54 -3.36 116.57 122.07 3gxf h LYS 425 Ca 0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3gxf h LYS 425 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3gxf h LYS 425 CO -0.10 0.37 -0.00 1.19 -2.27 0.00 0.00 179.45 178.63 3gxf n PHE 426 N -3.99 0.00 -3.46 1.91 3.01 -0.13 -4.78 117.46 110.03 3gxf n PHE 426 Ca -0.02 -0.70 -0.27 0.00 1.01 0.00 0.00 57.45 57.47 3gxf n PHE 426 Cb 0.42 -0.09 -0.10 0.00 -0.01 0.00 0.00 39.48 39.69 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 -1.75 0.60 1.15 4.37 1.01 -0.82 -4.89 121.20 120.86 3gxf s ILE 427 Ca 0.13 -2.72 -0.15 0.00 0.00 0.00 0.00 60.65 57.92 3gxf s ILE 427 Cb 0.11 -1.42 0.26 0.00 0.01 0.00 0.00 42.46 41.43 3gxf s ILE 427 CO 0.01 -1.18 1.05 -2.16 0.00 0.00 0.00 174.94 172.66 3gxf s PRO 428 N 0.02 -0.78 0.31 2.79 0.04 -1.26 -4.85 135.00 131.28 3gxf s PRO 428 Ca 0.30 0.50 -0.29 0.00 0.04 0.00 0.00 61.00 61.55 3gxf s PRO 428 Cb -0.00 -1.60 -0.10 0.00 0.04 0.00 0.00 34.50 32.83 3gxf s PRO 428 CO -0.17 -3.54 1.41 -2.00 0.04 0.00 0.00 177.00 172.74 3gxf s GLU 429 N -4.83 4.25 0.00 4.56 2.12 -1.26 -2.38 118.70 121.16 3gxf s GLU 429 Ca 0.68 2.35 0.00 0.00 0.36 0.00 0.00 54.97 58.36 3gxf s GLU 429 Cb -0.20 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.14 3gxf s GLU 429 CO 0.60 -0.37 0.00 0.41 -0.54 0.00 0.00 175.26 175.36 3gxf n GLY 430 N 1.25 2.67 3.63 -1.50 0.00 0.13 -4.78 105.19 106.59 3gxf n GLY 430 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3gxf n GLY 430 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gxf n SER 431 N 0.00 1.80 -4.17 1.61 7.64 -1.00 -4.42 113.62 115.08 3gxf n SER 431 Ca 0.00 1.15 -0.33 0.00 1.01 0.00 0.00 58.87 60.70 3gxf n SER 431 Cb 0.00 -1.38 -0.16 0.00 -1.01 0.00 0.00 64.21 61.66 3gxf n SER 431 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3gxf s GLN 432 N -1.81 3.04 0.23 1.43 0.74 0.12 0.14 119.66 123.55 3gxf s GLN 432 Ca 0.59 -0.84 -0.30 0.00 0.05 0.00 0.00 55.36 54.87 3gxf s GLN 432 Cb -0.61 -2.49 -0.09 0.00 1.10 0.00 0.00 33.01 30.92 3gxf s GLN 432 CO 0.60 -0.06 1.26 0.50 -0.55 0.00 0.00 175.29 177.03 3gxf s ARG 433 N 0.94 4.44 0.43 1.67 3.52 -0.45 -0.01 118.95 129.48 3gxf s ARG 433 Ca -0.04 2.02 0.04 0.00 -0.13 0.00 0.00 55.73 57.61 3gxf s ARG 433 Cb -0.15 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.02 3gxf s ARG 433 CO -0.04 -0.14 0.05 0.14 -0.81 0.00 0.00 175.30 174.49 3gxf s VAL 434 N -0.35 1.22 0.58 7.11 -7.23 -0.45 -0.83 120.40 120.44 3gxf s VAL 434 Ca 0.53 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.51 3gxf s VAL 434 Cb -0.36 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 3gxf s VAL 434 CO 0.41 0.00 1.20 -0.83 -0.31 0.00 0.00 175.10 175.57 3gxf s GLY 435 N -3.70 2.73 -0.29 2.32 0.00 -0.86 -4.39 107.32 103.14 3gxf s GLY 435 Ca 0.23 0.98 0.02 0.00 0.00 0.00 0.00 44.72 45.95 3gxf s GLY 435 CO 0.12 1.37 0.52 -2.27 0.00 0.00 0.00 173.10 172.83 3gxf s LEU 436 N -3.99 -1.23 -0.20 0.66 2.96 -1.26 -1.30 118.68 114.33 3gxf s LEU 436 Ca 0.76 0.22 -0.15 0.00 -0.22 0.00 0.00 54.13 54.75 3gxf s LEU 436 Cb -0.29 1.71 -0.04 0.00 0.50 0.00 0.00 46.19 48.06 3gxf s LEU 436 CO 0.32 -0.30 0.34 -0.69 -1.32 0.00 0.00 176.35 174.70 3gxf s VAL 437 N 2.73 5.24 0.20 1.68 1.01 -0.34 -4.84 120.40 126.08 3gxf s VAL 437 Ca 0.13 0.59 -0.23 0.00 0.00 0.00 0.00 61.98 62.47 3gxf s VAL 437 Cb -0.13 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.50 3gxf s VAL 437 CO -0.24 0.29 0.77 0.00 0.00 0.00 0.00 175.10 175.91 3gxf s ALA 438 N 1.15 3.41 -0.35 5.51 0.00 -1.26 0.50 121.76 130.72 3gxf s ALA 438 Ca 0.16 0.30 0.25 0.00 0.00 0.00 0.00 51.96 52.67 3gxf s ALA 438 Cb -0.14 -2.92 0.57 0.00 0.00 0.00 0.00 23.12 20.63 3gxf s ALA 438 CO 0.07 0.30 1.69 0.66 0.00 0.00 0.00 175.76 178.48 3gxf h SER 439 N 3.85 0.00 -5.01 0.00 4.64 -0.37 -3.47 113.55 113.18 3gxf h SER 439 Ca -0.47 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.89 3gxf h SER 439 Cb 1.20 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.22 3gxf h SER 439 CO 0.65 0.00 0.20 0.00 -0.87 0.00 0.00 176.83 176.82 3gxf s GLN 440 N -3.29 1.65 0.63 4.77 -2.07 -1.26 -4.94 119.66 115.14 3gxf s GLN 440 Ca 0.06 -0.88 -0.16 0.00 -1.82 0.00 0.00 55.36 52.57 3gxf s GLN 440 Cb 0.06 0.60 -0.02 0.00 -1.09 0.00 0.00 33.01 32.56 3gxf s GLN 440 CO 0.64 -0.74 1.10 0.15 -1.32 0.00 0.00 175.29 175.11 3gxf s LYS 441 N -3.88 3.02 0.18 9.60 1.02 -1.26 -4.95 119.74 123.46 3gxf s LYS 441 Ca 0.09 1.36 -0.24 0.00 0.02 0.00 0.00 55.97 57.20 3gxf s LYS 441 Cb -0.04 -1.98 0.05 0.00 -0.52 0.00 0.00 37.83 35.34 3gxf s LYS 441 CO 0.02 -1.07 0.88 0.54 -0.92 0.00 0.00 175.35 174.80 3gxf s ASN 442 N -2.55 -0.21 -0.41 2.83 2.20 -1.26 -5.05 114.94 110.49 3gxf s ASN 442 Ca 0.67 -0.44 0.05 0.00 -0.94 0.00 0.00 52.86 52.20 3gxf s ASN 442 Cb -0.20 0.56 0.67 0.00 -2.00 0.00 0.00 41.25 40.28 3gxf s ASN 442 CO 0.38 -1.02 1.87 0.47 -2.94 0.00 0.00 177.10 175.86 3gxf n ASP 443 N -0.46 3.99 -4.85 3.54 8.00 -1.26 -4.95 116.55 120.56 3gxf n ASP 443 Ca -0.06 -3.47 -0.28 0.00 0.71 0.00 0.00 54.79 51.69 3gxf n ASP 443 Cb 0.60 -0.81 -0.05 0.00 -0.02 0.00 0.00 41.12 40.85 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 -3.12 4.02 -0.24 0.64 1.43 -1.26 -4.44 118.68 115.70 3gxf s LEU 444 Ca 0.55 0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.65 3gxf s LEU 444 Cb 0.46 -2.63 0.01 0.00 0.03 0.00 0.00 46.19 44.05 3gxf s LEU 444 CO 0.11 0.11 -0.04 -1.81 0.23 0.00 0.00 176.35 174.95 3gxf s ASP 445 N -2.85 4.39 0.09 2.29 1.01 -1.02 -4.99 116.67 115.59 3gxf s ASP 445 Ca 0.32 -0.66 0.04 0.00 0.71 0.00 0.00 52.55 52.96 3gxf s ASP 445 Cb -0.11 -1.72 -0.03 0.00 1.01 0.00 0.00 42.92 42.07 3gxf s ASP 445 CO 0.25 -0.09 -0.12 0.00 0.21 0.00 0.00 175.17 175.42 3gxf s ALA 446 N 1.41 1.15 -0.15 5.23 0.00 -1.26 -0.27 121.76 127.87 3gxf s ALA 446 Ca 0.03 -1.10 -0.13 0.00 0.00 0.00 0.00 51.96 50.77 3gxf s ALA 446 Cb -0.16 -0.03 0.04 0.00 0.00 0.00 0.00 23.12 22.97 3gxf s ALA 446 CO -0.03 0.06 0.39 0.54 0.00 0.00 0.00 175.76 176.72 3gxf s VAL 447 N -1.86 -0.01 0.03 0.00 0.11 -0.46 -5.00 120.40 113.22 3gxf s VAL 447 Ca 0.02 0.02 0.06 0.00 -2.93 0.00 0.00 61.98 59.15 3gxf s VAL 447 Cb -0.06 -0.55 -0.03 0.00 -1.53 0.00 0.00 36.38 34.20 3gxf s VAL 447 CO 0.01 0.01 -0.16 0.00 -3.33 0.00 0.00 175.10 171.63 3gxf s ALA 448 N 0.46 2.65 0.10 1.54 0.00 -1.26 -0.69 121.76 124.57 3gxf s ALA 448 Ca -0.02 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 50.75 3gxf s ALA 448 Cb -0.04 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 3gxf s ALA 448 CO -0.02 0.58 0.10 -0.51 0.00 0.00 0.00 175.76 175.90 3gxf s LEU 449 N -1.36 1.77 -0.06 0.00 1.02 -0.67 -1.34 118.68 118.04 3gxf s LEU 449 Ca 0.15 -0.97 0.04 0.00 0.02 0.00 0.00 54.13 53.36 3gxf s LEU 449 Cb -0.11 0.58 -0.02 0.00 0.02 0.00 0.00 46.19 46.66 3gxf s LEU 449 CO 0.05 -0.72 -0.16 -0.04 0.02 0.00 0.00 176.35 175.51 3gxf s MET 450 N -3.96 2.59 0.72 1.70 -1.94 0.98 -2.17 119.30 117.23 3gxf s MET 450 Ca 0.14 -0.72 -0.11 0.00 -1.71 0.00 0.00 55.69 53.28 3gxf s MET 450 Cb 0.06 -2.37 0.02 0.00 2.01 0.00 0.00 34.83 34.55 3gxf s MET 450 CO -0.05 0.55 1.08 -1.01 -0.01 0.00 0.00 175.02 175.58 3gxf s HIS 451 N -0.55 2.85 0.45 -0.03 3.76 -0.10 -0.71 115.29 120.96 3gxf s HIS 451 Ca 0.08 1.49 0.27 0.00 -0.15 0.00 0.00 55.06 56.74 3gxf s HIS 451 Cb -0.11 -2.98 1.31 0.00 1.11 0.00 0.00 32.58 31.90 3gxf s HIS 451 CO 0.01 -1.49 1.73 -1.35 -0.85 0.00 0.00 174.74 172.80 3gxf h PRO 452 N -0.75 0.21 -0.00 8.40 0.11 -1.86 -1.02 132.00 137.09 3gxf h PRO 452 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gxf h PRO 452 Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3gxf h PRO 452 CO 0.54 0.14 -0.01 -0.40 -0.21 0.00 0.00 178.00 178.06 3gxf n ASP 453 N -4.52 0.06 0.00 -2.05 5.68 -1.26 -4.90 116.55 109.56 3gxf n ASP 453 Ca 0.29 -0.49 0.00 0.00 -0.50 0.00 0.00 54.79 54.09 3gxf n ASP 453 Cb 1.14 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.95 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 1.19 2.98 3.85 6.12 0.00 -0.39 -5.08 105.19 113.86 3gxf n GLY 454 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.38 5.76 0.14 1.61 1.04 -1.26 -4.66 113.70 114.94 3gxf s SER 455 Ca 0.00 1.46 0.02 0.00 0.48 0.00 0.00 55.95 57.91 3gxf s SER 455 Cb 0.00 -2.41 -0.04 0.00 0.10 0.00 0.00 66.02 63.68 3gxf s SER 455 CO 0.00 -1.18 0.28 0.00 0.98 0.00 0.00 173.24 173.32 3gxf s ALA 456 N -3.15 3.97 -0.02 5.32 0.00 -0.25 -0.92 121.76 126.70 3gxf s ALA 456 Ca 0.57 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 51.53 3gxf s ALA 456 Cb -0.12 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 21.21 3gxf s ALA 456 CO 0.54 0.58 0.05 0.54 0.00 0.00 0.00 175.76 177.47 3gxf s VAL 457 N -1.72 -0.03 -0.07 0.00 0.11 -0.92 -2.55 120.40 115.23 3gxf s VAL 457 Ca 0.35 0.11 0.02 0.00 -2.93 0.00 0.00 61.98 59.53 3gxf s VAL 457 Cb -0.11 -0.10 0.01 0.00 -1.53 0.00 0.00 36.38 34.65 3gxf s VAL 457 CO 0.28 0.05 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.29 3gxf s VAL 458 N 0.60 1.14 -0.04 2.04 1.01 -0.26 -1.67 120.40 123.22 3gxf s VAL 458 Ca -0.05 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 3gxf s VAL 458 Cb -0.07 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 3gxf s VAL 458 CO -0.02 0.36 0.06 -0.69 0.00 0.00 0.00 175.10 174.80 3gxf s VAL 459 N 0.72 4.63 -0.03 2.92 1.01 0.14 -0.56 120.40 129.23 3gxf s VAL 459 Ca -0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 3gxf s VAL 459 Cb -0.16 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.20 3gxf s VAL 459 CO 0.03 0.46 0.03 -0.69 0.00 0.00 0.00 175.10 174.93 3gxf s VAL 460 N -1.08 -0.03 -0.08 2.92 1.01 -0.19 -1.35 120.40 121.61 3gxf s VAL 460 Ca 0.19 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.45 3gxf s VAL 460 Cb -0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 3gxf s VAL 460 CO 0.09 0.13 -0.11 -0.22 0.00 0.00 0.00 175.10 174.99 3gxf s LEU 461 N 1.44 2.87 -0.28 3.92 2.96 0.63 -0.62 118.68 129.61 3gxf s LEU 461 Ca -0.04 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 3gxf s LEU 461 Cb -0.13 -1.62 0.07 0.00 0.50 0.00 0.00 46.19 45.02 3gxf s LEU 461 CO -0.03 0.29 -0.07 0.21 -1.32 0.00 0.00 176.35 175.43 3gxf s ASN 462 N -0.41 4.49 0.01 3.68 3.84 0.51 -2.43 114.94 124.63 3gxf s ASN 462 Ca 0.05 -1.56 0.23 0.00 0.21 0.00 0.00 52.86 51.78 3gxf s ASN 462 Cb -0.12 -1.55 0.08 0.00 -0.55 0.00 0.00 41.25 39.12 3gxf s ASN 462 CO 0.02 -0.24 1.10 0.54 -2.79 0.00 0.00 177.10 175.74 3gxf n ARG 463 N 4.40 0.06 -2.61 0.43 1.74 -1.26 -1.18 116.66 118.24 3gxf n ARG 463 Ca -0.10 -0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.71 3gxf n ARG 463 Cb 0.42 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 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 -3.18 6.15 0.00 0.55 1.04 -1.26 -4.77 113.70 112.24 3gxf s SER 464 Ca 0.08 0.88 0.30 0.00 0.48 0.00 0.00 55.95 57.69 3gxf s SER 464 Cb 0.16 -2.15 1.44 0.00 0.10 0.00 0.00 66.02 65.57 3gxf s SER 464 CO 0.80 -0.65 1.98 -1.54 0.98 0.00 0.00 173.24 174.80 3gxf n SER 465 N -2.30 0.32 -4.74 7.02 3.41 -1.26 -2.53 113.62 113.53 3gxf n SER 465 Ca 0.01 -0.62 -0.35 0.00 -0.26 0.00 0.00 58.87 57.65 3gxf n SER 465 Cb 0.56 -0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 64.32 3gxf n SER 465 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3gxf s LYS 466 N -2.36 3.89 0.16 4.33 -2.85 -1.26 -4.38 119.74 117.27 3gxf s LYS 466 Ca 0.34 -0.24 -0.34 0.00 -1.00 0.00 0.00 55.97 54.73 3gxf s LYS 466 Cb 0.21 -3.28 -0.14 0.00 -2.06 0.00 0.00 37.83 32.55 3gxf s LYS 466 CO 0.44 0.43 1.48 -0.25 0.10 0.00 0.00 175.35 177.56 3gxf n ASP 467 N 3.07 2.69 -4.09 0.03 8.00 -1.26 -3.88 116.55 121.10 3gxf n ASP 467 Ca -0.17 1.10 -0.32 0.00 0.71 0.00 0.00 54.79 56.11 3gxf n ASP 467 Cb 0.53 -1.37 -0.16 0.00 -0.02 0.00 0.00 41.12 40.10 3gxf n ASP 467 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gxf s VAL 468 N 0.60 2.04 0.36 2.53 1.01 0.01 -4.90 120.40 122.04 3gxf s VAL 468 Ca 0.78 -1.12 -0.26 0.00 0.00 0.00 0.00 61.98 61.37 3gxf s VAL 468 Cb -0.73 -1.94 -0.09 0.00 0.00 0.00 0.00 36.38 33.62 3gxf s VAL 468 CO 0.42 0.36 1.12 -2.84 0.00 0.00 0.00 175.10 174.16 3gxf s PRO 469 N 1.26 4.29 0.05 2.72 0.02 -1.26 0.11 135.00 142.19 3gxf s PRO 469 Ca 0.01 1.74 -0.15 0.00 0.02 0.00 0.00 61.00 62.62 3gxf s PRO 469 Cb -0.15 -2.82 0.02 0.00 0.02 0.00 0.00 34.50 31.57 3gxf s PRO 469 CO -0.10 -0.08 0.34 -0.48 -0.33 0.00 0.00 177.00 176.34 3gxf s LEU 470 N -2.16 0.73 -0.10 -5.54 0.05 -0.65 -4.13 118.68 106.88 3gxf s LEU 470 Ca 0.53 -0.17 0.04 0.00 0.05 0.00 0.00 54.13 54.58 3gxf s LEU 470 Cb -0.29 1.49 -0.00 0.00 -2.05 0.00 0.00 46.19 45.34 3gxf s LEU 470 CO 0.37 -0.65 -0.23 -0.89 -0.55 0.00 0.00 176.35 174.40 3gxf s THR 471 N -2.68 2.17 -0.22 5.48 2.01 -0.78 -1.26 115.64 120.36 3gxf s THR 471 Ca -0.04 -0.98 -0.12 0.00 0.31 0.00 0.00 61.69 60.86 3gxf s THR 471 Cb -0.00 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.62 3gxf s THR 471 CO -0.04 0.56 0.23 -0.63 -0.69 0.00 0.00 174.62 174.05 3gxf s ILE 472 N 0.31 5.32 -0.19 1.82 1.01 -0.53 -0.30 121.20 128.63 3gxf s ILE 472 Ca -0.17 0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.76 3gxf s ILE 472 Cb -0.17 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 3gxf s ILE 472 CO 0.08 0.33 0.03 -0.75 0.00 0.00 0.00 174.94 174.63 3gxf s LYS 473 N 1.05 3.81 -0.19 2.79 2.20 0.10 -0.65 119.74 128.83 3gxf s LYS 473 Ca 0.11 -0.43 0.01 0.00 -0.36 0.00 0.00 55.97 55.30 3gxf s LYS 473 Cb -0.14 -3.14 0.04 0.00 -1.51 0.00 0.00 37.83 33.09 3gxf s LYS 473 CO 0.05 0.16 -0.10 0.34 -0.36 0.00 0.00 175.35 175.45 3gxf s ASP 474 N 0.63 3.30 0.32 1.43 -1.08 -0.32 -0.31 116.67 120.64 3gxf s ASP 474 Ca 0.01 -0.85 0.25 0.00 -0.52 0.00 0.00 52.55 51.44 3gxf s ASP 474 Cb -0.14 -1.19 1.15 0.00 -1.46 0.00 0.00 42.92 41.28 3gxf s ASP 474 CO 0.02 -0.15 1.75 -0.65 0.52 0.00 0.00 175.17 176.66 3gxf h PRO 475 N 7.99 0.00 0.00 4.34 0.11 -1.83 0.69 132.00 143.30 3gxf h PRO 475 Ca -0.28 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 3gxf h PRO 475 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3gxf h PRO 475 CO 0.47 0.00 -0.22 0.00 -0.21 0.00 0.00 178.00 178.04 3gxf h ALA 476 N 2.14 1.03 0.00 -0.75 0.00 -1.95 -3.40 119.26 116.33 3gxf h ALA 476 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3gxf h ALA 476 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3gxf h ALA 476 CO 0.00 0.27 0.00 1.33 0.00 0.00 0.00 179.25 180.85 3gxf n VAL 477 N -3.39 0.00 0.00 0.00 0.24 -0.65 -4.97 118.33 109.56 3gxf n VAL 477 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3gxf n VAL 477 Cb 0.42 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 3gxf n VAL 477 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gxf n GLY 478 N 0.46 0.43 3.33 7.63 0.00 0.23 -4.70 105.19 112.57 3gxf n GLY 478 Ca 0.00 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.64 2.35 -0.29 1.61 0.40 0.12 -1.18 117.98 118.36 3gxf s PHE 479 Ca 0.00 -0.42 -0.03 0.00 -0.60 0.00 0.00 56.93 55.88 3gxf s PHE 479 Cb 0.00 -1.49 0.03 0.00 0.51 0.00 0.00 43.02 42.08 3gxf s PHE 479 CO 0.00 0.01 0.01 -0.51 0.70 0.00 0.00 175.22 175.43 3gxf s LEU 480 N -0.76 3.72 -0.20 -0.37 2.01 0.17 -0.76 118.68 122.50 3gxf s LEU 480 Ca 0.11 -1.01 -0.11 0.00 0.01 0.00 0.00 54.13 53.13 3gxf s LEU 480 Cb -0.10 -1.75 -0.05 0.00 0.01 0.00 0.00 46.19 44.30 3gxf s LEU 480 CO -0.00 -0.21 0.17 -1.61 1.01 0.00 0.00 176.35 175.71 3gxf s GLU 481 N 1.35 4.19 0.24 1.70 8.01 -1.26 -1.46 118.70 131.47 3gxf s GLU 481 Ca -0.01 -0.15 -0.05 0.00 0.01 0.00 0.00 54.97 54.77 3gxf s GLU 481 Cb -0.18 -3.43 0.02 0.00 -4.31 0.00 0.00 34.13 26.22 3gxf s GLU 481 CO -0.01 0.26 0.40 -2.37 0.01 0.00 0.00 175.26 173.55 3gxf n THR 482 N 3.62 0.00 -4.22 3.63 5.66 -0.39 -5.03 114.28 117.55 3gxf n THR 482 Ca -0.15 -0.92 -0.17 0.00 -3.05 0.00 0.00 64.05 59.77 3gxf n THR 482 Cb 0.52 0.67 -0.14 0.00 -1.55 0.00 0.00 70.33 69.83 3gxf n THR 482 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3gxf s ILE 483 N -2.57 0.51 -0.70 1.09 2.07 -1.26 -1.64 121.20 118.71 3gxf s ILE 483 Ca 0.15 -0.31 -0.21 0.00 -1.41 0.00 0.00 60.65 58.87 3gxf s ILE 483 Cb -0.02 -0.44 0.09 0.00 0.13 0.00 0.00 42.46 42.22 3gxf s ILE 483 CO 0.11 0.12 0.95 -0.55 -1.91 0.00 0.00 174.94 173.66 3gxf s SER 484 N -0.21 6.26 0.70 4.50 0.15 0.31 -4.94 113.70 120.47 3gxf s SER 484 Ca 0.02 -1.27 -0.16 0.00 0.70 0.00 0.00 55.95 55.24 3gxf s SER 484 Cb -0.03 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 3gxf s SER 484 CO -0.00 -1.31 1.10 -2.65 1.20 0.00 0.00 173.24 171.58 3gxf n PRO 485 N 7.24 0.70 -1.76 5.44 -0.02 -1.26 -0.81 135.00 144.53 3gxf n PRO 485 Ca 0.00 0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 61.37 3gxf n PRO 485 Cb 0.45 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3gxf n PRO 485 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gxf n GLY 486 N 1.00 1.09 3.52 -1.23 0.00 -1.25 -2.74 105.19 105.56 3gxf n GLY 486 Ca 0.14 0.29 -0.23 0.00 0.00 0.00 0.00 46.02 46.22 3gxf n GLY 486 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxf n TYR 487 N 0.31 -2.13 -4.20 1.61 0.53 -0.33 -4.77 117.16 108.18 3gxf n TYR 487 Ca 0.02 0.69 -0.12 0.00 -1.02 0.00 0.00 57.90 57.48 3gxf n TYR 487 Cb 0.39 -3.93 -0.10 0.00 -1.03 0.00 0.00 39.34 34.67 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 -3.64 1.18 -0.03 7.72 1.04 -1.03 -1.78 113.70 117.16 3gxf s SER 488 Ca 0.36 -1.08 0.02 0.00 0.48 0.00 0.00 55.95 55.73 3gxf s SER 488 Cb -0.09 0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.14 3gxf s SER 488 CO 0.80 -0.51 -0.07 -0.51 0.98 0.00 0.00 173.24 173.94 3gxf s ILE 489 N -3.64 0.62 -0.03 -1.02 2.07 0.00 -0.37 121.20 118.84 3gxf s ILE 489 Ca 0.18 -0.25 0.05 0.00 -1.41 0.00 0.00 60.65 59.22 3gxf s ILE 489 Cb 0.06 -0.58 -0.01 0.00 0.13 0.00 0.00 42.46 42.06 3gxf s ILE 489 CO -0.01 0.21 -0.19 -1.00 -1.91 0.00 0.00 174.94 172.04 3gxf s HIS 490 N 0.37 1.77 -0.11 3.50 3.76 0.21 -1.14 115.29 123.65 3gxf s HIS 490 Ca -0.05 -0.40 0.01 0.00 -0.15 0.00 0.00 55.06 54.47 3gxf s HIS 490 Cb -0.09 -1.15 -0.02 0.00 1.11 0.00 0.00 32.58 32.43 3gxf s HIS 490 CO 0.00 -0.08 -0.14 0.99 -0.85 0.00 0.00 174.74 174.66 3gxf s THR 491 N -0.29 2.97 -0.08 1.30 2.01 -0.57 -1.02 115.64 119.95 3gxf s THR 491 Ca 0.04 -0.71 -0.00 0.00 0.31 0.00 0.00 61.69 61.32 3gxf s THR 491 Cb -0.09 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 3gxf s THR 491 CO 0.00 0.54 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.13 3gxf s TYR 492 N 0.11 3.03 -0.04 4.92 1.51 0.28 -0.56 117.35 126.60 3gxf s TYR 492 Ca -0.07 0.09 0.01 0.00 -1.01 0.00 0.00 57.07 56.09 3gxf s TYR 492 Cb -0.15 -1.75 0.02 0.00 -0.11 0.00 0.00 41.96 39.97 3gxf s TYR 492 CO 0.05 0.38 -0.04 -0.51 -1.11 0.00 0.00 175.55 174.32 3gxf s LEU 493 N -0.81 1.30 -0.01 -1.29 1.43 -0.78 -1.10 118.68 117.42 3gxf s LEU 493 Ca 0.12 -0.11 -0.17 0.00 -1.03 0.00 0.00 54.13 52.94 3gxf s LEU 493 Cb -0.11 -0.42 0.03 0.00 0.03 0.00 0.00 46.19 45.72 3gxf s LEU 493 CO 0.02 -0.06 0.35 -1.66 0.23 0.00 0.00 176.35 175.23 3gxf s TRP 494 N 0.95 -0.23 0.40 0.29 -2.14 -1.06 0.12 118.94 117.27 3gxf s TRP 494 Ca -0.11 0.33 -0.24 0.00 2.66 0.00 0.00 56.10 58.74 3gxf s TRP 494 Cb -0.14 0.13 -0.09 0.00 -3.10 0.00 0.00 33.47 30.27 3gxf s TRP 494 CO -0.00 -0.43 1.02 -1.01 -2.66 0.00 0.00 176.95 173.87 3gxf s HIS 495 N -1.45 3.32 -0.54 1.66 3.76 -1.26 -1.09 115.29 119.69 3gxf s HIS 495 Ca -0.12 1.66 0.16 0.00 -0.15 0.00 0.00 55.06 56.60 3gxf s HIS 495 Cb -0.04 -3.06 -0.20 0.00 1.11 0.00 0.00 32.58 30.39 3gxf s HIS 495 CO 0.04 -0.45 0.59 0.54 -0.85 0.00 0.00 174.74 174.61 3gxf n ARG 496 N -0.10 1.38 0.00 1.40 1.74 -1.26 -4.74 116.66 115.08 3gxf n ARG 496 Ca 0.05 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 3gxf n ARG 496 Cb 0.50 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 3gxf n ARG 496 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11