#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 3.54 0.88 0.00 0.52 -1.01 -4.91 118.95 117.97 3gxf s ARG 2 Ca 0.00 -0.55 -0.12 0.00 -0.52 0.00 0.00 55.73 54.54 3gxf s ARG 2 Cb 0.00 -2.84 0.12 0.00 0.52 0.00 0.00 34.95 32.75 3gxf s ARG 2 CO 0.00 0.28 1.10 -1.25 0.02 0.00 0.00 175.30 175.44 3gxf s PRO 3 N 0.24 1.40 0.19 3.54 0.04 -1.26 -1.56 135.00 137.59 3gxf s PRO 3 Ca -0.04 0.73 -0.32 0.00 0.04 0.00 0.00 61.00 61.41 3gxf s PRO 3 Cb -0.14 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.45 3gxf s PRO 3 CO 0.03 -2.12 1.65 0.00 0.04 0.00 0.00 177.00 176.60 3gxf s ILE 5 N 1.11 4.98 0.58 0.00 1.01 -1.26 -5.00 121.20 122.61 3gxf s ILE 5 Ca 0.72 -0.94 -0.16 0.00 0.00 0.00 0.00 60.65 60.27 3gxf s ILE 5 Cb -0.47 -4.34 -0.05 0.00 0.01 0.00 0.00 42.46 37.61 3gxf s ILE 5 CO 0.32 -0.89 1.04 -2.16 0.00 0.00 0.00 174.94 173.25 3gxf s PRO 6 N 2.30 3.47 -0.12 2.79 0.04 -1.26 0.37 135.00 142.59 3gxf s PRO 6 Ca 0.10 1.13 -0.10 0.00 0.04 0.00 0.00 61.00 62.16 3gxf s PRO 6 Cb -0.24 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.28 3gxf s PRO 6 CO 0.07 -0.68 0.32 0.21 0.04 0.00 0.00 177.00 176.96 3gxf s LYS 7 N -4.12 0.36 0.05 4.56 2.20 -0.36 -4.81 119.74 117.62 3gxf s LYS 7 Ca 0.62 0.48 -0.02 0.00 -0.36 0.00 0.00 55.97 56.69 3gxf s LYS 7 Cb -0.14 0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.27 3gxf s LYS 7 CO 0.36 -0.07 0.24 0.45 -0.36 0.00 0.00 175.35 175.97 3gxf s SER 8 N 0.38 6.40 -0.03 1.43 0.15 -1.26 -1.33 113.70 119.43 3gxf s SER 8 Ca -0.02 0.37 0.05 0.00 0.70 0.00 0.00 55.95 57.05 3gxf s SER 8 Cb -0.04 -2.00 0.07 0.00 -1.71 0.00 0.00 66.02 62.35 3gxf s SER 8 CO -0.02 0.18 0.94 0.49 1.20 0.00 0.00 173.24 176.04 3gxf n PHE 9 N 0.49 0.00 -0.07 3.44 3.01 -1.26 -5.00 117.46 118.07 3gxf n PHE 9 Ca -0.06 -0.47 0.00 0.00 1.01 0.00 0.00 57.45 57.92 3gxf n PHE 9 Cb 0.52 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 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 -0.59 0.64 4.03 1.37 0.00 -1.26 -4.98 105.19 104.41 3gxf n GLY 10 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 3gxf n GLY 10 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gxf s TYR 11 N -2.10 1.28 -0.04 1.61 1.51 -1.26 -4.96 117.35 113.38 3gxf s TYR 11 Ca 0.00 -0.69 0.08 0.00 -1.01 0.00 0.00 57.07 55.45 3gxf s TYR 11 Cb 0.00 -2.33 0.46 0.00 -0.11 0.00 0.00 41.96 39.98 3gxf s TYR 11 CO 0.00 -1.33 1.10 -1.13 -1.11 0.00 0.00 175.55 173.08 3gxf n SER 12 N -2.38 0.22 -3.16 2.29 3.41 -1.26 -4.79 113.62 107.94 3gxf n SER 12 Ca 0.16 0.45 -0.05 0.00 -0.26 0.00 0.00 58.87 59.17 3gxf n SER 12 Cb 0.62 -0.38 0.02 0.00 -0.26 0.00 0.00 64.21 64.21 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 -3.09 0.01 0.19 4.04 0.15 -0.45 -4.77 113.70 109.78 3gxf s SER 13 Ca -0.01 -0.88 0.04 0.00 0.70 0.00 0.00 55.95 55.80 3gxf s SER 13 Cb 0.02 0.64 -0.03 0.00 -1.71 0.00 0.00 66.02 64.95 3gxf s SER 13 CO 0.08 -1.28 0.32 0.68 1.20 0.00 0.00 173.24 174.23 3gxf s VAL 14 N -2.17 5.29 0.45 4.45 -7.23 -1.25 -4.31 120.40 115.63 3gxf s VAL 14 Ca 0.20 -0.82 0.08 0.00 -1.81 0.00 0.00 61.98 59.63 3gxf s VAL 14 Cb -0.04 -3.79 0.02 0.00 0.56 0.00 0.00 36.38 33.14 3gxf s VAL 14 CO 0.08 -0.19 0.61 0.68 -0.31 0.00 0.00 175.10 175.97 3gxf s VAL 15 N -1.84 2.85 -0.19 1.32 -7.23 -0.44 -4.40 120.40 110.46 3gxf s VAL 15 Ca 0.34 -0.99 -0.02 0.00 -1.81 0.00 0.00 61.98 59.50 3gxf s VAL 15 Cb -0.10 -2.86 -0.00 0.00 0.56 0.00 0.00 36.38 33.98 3gxf s VAL 15 CO 0.29 0.00 -0.10 0.00 -0.31 0.00 0.00 175.10 174.98 3gxf s VAL 17 N 1.19 4.74 0.02 0.00 1.01 0.16 -1.04 120.40 126.48 3gxf s VAL 17 Ca 0.02 1.36 0.02 0.00 0.00 0.00 0.00 61.98 63.37 3gxf s VAL 17 Cb -0.14 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 3gxf s VAL 17 CO -0.03 0.48 -0.07 0.00 0.00 0.00 0.00 175.10 175.48 3gxf n ASN 19 N 2.27 0.48 0.24 0.00 0.23 -0.64 0.19 115.26 118.04 3gxf n ASN 19 Ca -0.17 -0.29 0.12 0.00 -0.53 0.00 0.00 54.58 53.71 3gxf n ASN 19 Cb 0.57 0.00 0.56 0.00 -2.08 0.00 0.00 39.78 38.83 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 1.00 1.05 0.00 -2.53 0.00 -1.90 -3.31 119.26 113.58 3gxf h ALA 20 Ca 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3gxf h ALA 20 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3gxf h ALA 20 CO 0.00 0.19 -1.51 0.25 0.00 0.00 0.00 179.25 178.18 3gxf n THR 21 N -3.35 0.26 -4.70 0.00 -2.24 -1.26 -4.09 114.28 98.90 3gxf n THR 21 Ca -0.00 -0.29 -0.24 0.00 -2.27 0.00 0.00 64.05 61.25 3gxf n THR 21 Cb 0.37 -0.17 -0.15 0.00 -2.10 0.00 0.00 70.33 68.28 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 -2.47 1.56 -0.29 4.78 5.04 -1.25 -5.14 117.35 119.59 3gxf s TYR 22 Ca -0.04 -0.32 -0.17 0.00 -2.44 0.00 0.00 57.07 54.10 3gxf s TYR 22 Cb 0.05 -0.97 0.13 0.00 0.35 0.00 0.00 41.96 41.51 3gxf s TYR 22 CO 0.38 0.01 0.91 0.00 -1.34 0.00 0.00 175.55 175.51 3gxf n ASP 24 N 3.67 2.70 -3.91 0.00 5.75 -1.26 -4.72 116.55 118.78 3gxf n ASP 24 Ca -0.18 1.14 -0.08 0.00 -0.01 0.00 0.00 54.79 55.66 3gxf n ASP 24 Cb 0.58 -1.42 -0.08 0.00 -1.03 0.00 0.00 41.12 39.17 3gxf n ASP 24 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3gxf s SER 25 N 0.25 0.19 0.36 -1.12 1.04 -0.60 -4.89 113.70 108.92 3gxf s SER 25 Ca 0.68 -0.75 -0.05 0.00 0.48 0.00 0.00 55.95 56.31 3gxf s SER 25 Cb -0.65 0.32 -0.05 0.00 0.10 0.00 0.00 66.02 65.74 3gxf s SER 25 CO 0.50 -0.72 0.64 -0.36 0.98 0.00 0.00 173.24 174.29 3gxf s PHE 26 N -3.88 3.50 0.69 5.02 0.40 0.62 -2.41 117.98 121.91 3gxf s PHE 26 Ca 0.07 0.71 -0.14 0.00 -0.60 0.00 0.00 56.93 56.97 3gxf s PHE 26 Cb 0.05 -2.18 0.02 0.00 0.51 0.00 0.00 43.02 41.42 3gxf s PHE 26 CO -0.10 0.02 1.11 -0.51 0.70 0.00 0.00 175.22 176.44 3gxf s ASP 27 N -3.48 4.91 0.39 1.36 1.01 -1.26 -4.42 116.67 115.18 3gxf s ASP 27 Ca 0.45 1.97 -0.23 0.00 0.71 0.00 0.00 52.55 55.45 3gxf s ASP 27 Cb -0.10 -2.55 -0.13 0.00 1.01 0.00 0.00 42.92 41.15 3gxf s ASP 27 CO 0.34 -1.77 0.58 -2.65 0.21 0.00 0.00 175.17 171.88 3gxf n PRO 28 N -2.71 0.59 -1.94 8.23 -0.02 -1.26 -4.80 135.00 133.09 3gxf n PRO 28 Ca 0.10 0.21 -0.38 0.00 -2.02 0.00 0.00 63.50 61.41 3gxf n PRO 28 Cb 0.52 -1.49 0.02 0.00 -0.02 0.00 0.00 33.50 32.54 3gxf n PRO 28 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3gxf s PRO 29 N -1.51 3.40 0.09 0.52 0.02 -1.26 -5.07 135.00 131.18 3gxf s PRO 29 Ca 0.63 2.11 0.03 0.00 0.02 0.00 0.00 61.00 63.78 3gxf s PRO 29 Cb -0.64 -2.35 -0.04 0.00 0.02 0.00 0.00 34.50 31.49 3gxf s PRO 29 CO 0.58 -0.94 -0.08 0.99 -0.33 0.00 0.00 177.00 177.22 3gxf s THR 30 N -1.36 0.79 0.19 0.99 2.01 -1.26 -5.15 115.64 111.84 3gxf s THR 30 Ca 0.68 -1.67 -0.27 0.00 0.31 0.00 0.00 61.69 60.74 3gxf s THR 30 Cb -0.37 -1.37 -0.08 0.00 0.01 0.00 0.00 72.50 70.68 3gxf s THR 30 CO 0.45 -0.66 0.83 -0.36 -0.69 0.00 0.00 174.62 174.19 3gxf s PHE 31 N -2.75 3.93 0.41 4.92 0.08 -1.26 -5.06 117.98 118.26 3gxf s PHE 31 Ca 0.06 1.73 -0.24 0.00 0.12 0.00 0.00 56.93 58.60 3gxf s PHE 31 Cb -0.01 -2.84 -0.09 0.00 -0.57 0.00 0.00 43.02 39.52 3gxf s PHE 31 CO -0.02 0.50 1.08 -1.25 -0.10 0.00 0.00 175.22 175.43 3gxf s PRO 32 N -1.15 4.09 0.40 0.24 0.04 -1.26 -4.98 135.00 132.38 3gxf s PRO 32 Ca 0.37 1.58 -0.27 0.00 0.04 0.00 0.00 61.00 62.73 3gxf s PRO 32 Cb -0.24 -2.53 -0.09 0.00 0.04 0.00 0.00 34.50 31.68 3gxf s PRO 32 CO 0.28 -0.22 1.36 0.00 0.04 0.00 0.00 177.00 178.46 3gxf s ALA 33 N -1.62 3.35 0.04 8.56 0.00 -1.26 -4.40 121.76 126.43 3gxf s ALA 33 Ca 0.59 1.35 -0.38 0.00 0.00 0.00 0.00 51.96 53.52 3gxf s ALA 33 Cb -0.24 -3.53 -0.19 0.00 0.00 0.00 0.00 23.12 19.16 3gxf s ALA 33 CO 0.29 -0.92 1.06 -0.11 0.00 0.00 0.00 175.76 176.08 3gxf n LEU 34 N 0.23 0.19 0.00 0.00 7.94 -1.26 -0.23 117.00 123.87 3gxf n LEU 34 Ca 0.03 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 3gxf n LEU 34 Cb 0.42 -0.98 0.00 0.00 0.53 0.00 0.00 43.42 43.39 3gxf n LEU 34 CO 0.58 -1.86 0.00 0.61 -1.11 0.00 0.00 177.39 175.61 3gxf n GLY 35 N 1.72 1.42 3.34 -3.96 0.00 -1.26 -5.04 105.19 101.41 3gxf n GLY 35 Ca 0.19 0.00 -0.22 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 -2.71 1.84 0.22 2.61 -4.23 0.69 0.23 115.64 114.29 3gxf s THR 36 Ca 0.00 -1.95 0.11 0.00 -1.18 0.00 0.00 61.69 58.67 3gxf s THR 36 Cb 0.00 -1.87 -0.05 0.00 1.34 0.00 0.00 72.50 71.92 3gxf s THR 36 CO 0.00 -0.33 -0.21 0.72 -0.54 0.00 0.00 174.62 174.26 3gxf s PHE 37 N -2.10 2.19 -0.10 3.99 -0.12 -0.88 -4.47 117.98 116.49 3gxf s PHE 37 Ca 0.17 -0.38 -0.05 0.00 -0.05 0.00 0.00 56.93 56.62 3gxf s PHE 37 Cb -0.05 -1.04 -0.04 0.00 -0.63 0.00 0.00 43.02 41.26 3gxf s PHE 37 CO 0.07 0.53 0.08 -1.12 -0.05 0.00 0.00 175.22 174.73 3gxf s SER 38 N -2.96 5.88 -0.08 1.98 0.01 0.96 -2.03 113.70 117.46 3gxf s SER 38 Ca 0.23 0.32 0.03 0.00 1.31 0.00 0.00 55.95 57.84 3gxf s SER 38 Cb -0.06 -1.80 0.00 0.00 0.21 0.00 0.00 66.02 64.37 3gxf s SER 38 CO 0.11 0.39 -0.18 -0.60 0.41 0.00 0.00 173.24 173.36 3gxf s ARG 39 N -1.00 2.35 -0.13 12.44 3.52 0.73 -1.43 118.95 135.43 3gxf s ARG 39 Ca 0.15 -0.66 -0.03 0.00 -0.13 0.00 0.00 55.73 55.06 3gxf s ARG 39 Cb -0.12 -1.85 -0.03 0.00 -1.56 0.00 0.00 34.95 31.40 3gxf s ARG 39 CO 0.04 0.13 -0.02 0.71 -0.81 0.00 0.00 175.30 175.34 3gxf s TYR 40 N 0.44 3.07 -0.06 5.12 1.51 0.40 -1.21 117.35 126.62 3gxf s TYR 40 Ca -0.15 -0.10 0.02 0.00 -1.01 0.00 0.00 57.07 55.83 3gxf s TYR 40 Cb -0.16 -1.90 0.01 0.00 -0.11 0.00 0.00 41.96 39.80 3gxf s TYR 40 CO 0.06 0.16 -0.11 -2.00 -1.11 0.00 0.00 175.55 172.54 3gxf s GLU 41 N -0.10 1.57 -0.05 -0.62 2.12 -0.58 -1.50 118.70 119.54 3gxf s GLU 41 Ca 0.03 -0.38 0.04 0.00 0.36 0.00 0.00 54.97 55.02 3gxf s GLU 41 Cb -0.13 -1.32 -0.00 0.00 0.26 0.00 0.00 34.13 32.94 3gxf s GLU 41 CO 0.02 0.03 -0.18 -1.12 -0.54 0.00 0.00 175.26 173.47 3gxf s SER 42 N 0.64 2.32 0.12 -1.70 0.01 -0.38 -1.56 113.70 113.15 3gxf s SER 42 Ca -0.13 -0.39 0.05 0.00 1.31 0.00 0.00 55.95 56.79 3gxf s SER 42 Cb -0.15 -0.73 -0.04 0.00 0.21 0.00 0.00 66.02 65.31 3gxf s SER 42 CO 0.03 0.15 -0.13 0.42 0.41 0.00 0.00 173.24 174.12 3gxf s THR 43 N 0.11 1.26 0.29 1.44 -4.23 -0.34 -1.44 115.64 112.74 3gxf s THR 43 Ca -0.06 -1.74 0.04 0.00 -1.18 0.00 0.00 61.69 58.75 3gxf s THR 43 Cb -0.13 -1.53 0.29 0.00 1.34 0.00 0.00 72.50 72.47 3gxf s THR 43 CO 0.03 -0.47 1.79 -0.09 -0.54 0.00 0.00 174.62 175.34 3gxf h ARG 44 N 3.45 0.78 0.00 3.99 2.43 -1.68 -2.28 114.38 121.08 3gxf h ARG 44 Ca -0.39 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3gxf h ARG 44 Cb 1.20 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 3gxf h ARG 44 CO 0.52 0.51 0.00 -1.13 -1.51 0.00 0.00 179.97 178.37 3gxf n SER 45 N -4.75 0.17 0.00 -3.80 3.41 -1.26 -4.65 113.62 102.74 3gxf n SER 45 Ca 0.22 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.37 3gxf n SER 45 Cb 0.51 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 3gxf n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gxf n GLY 46 N -0.10 -0.11 3.74 5.00 0.00 -0.86 -5.05 105.19 107.81 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 4.61 -0.26 1.61 0.52 -1.22 -4.87 118.95 119.34 3gxf s ARG 47 Ca 0.00 1.73 0.00 0.00 -0.52 0.00 0.00 55.73 56.94 3gxf s ARG 47 Cb 0.00 -3.26 0.07 0.00 0.52 0.00 0.00 34.95 32.28 3gxf s ARG 47 CO 0.00 0.11 0.00 1.03 0.02 0.00 0.00 175.30 176.46 3gxf s ARG 48 N -0.58 1.29 -0.63 3.54 1.81 -1.25 -1.19 118.95 121.93 3gxf s ARG 48 Ca 0.48 -1.03 -0.18 0.00 -1.72 0.00 0.00 55.73 53.29 3gxf s ARG 48 Cb -0.30 -2.47 0.02 0.00 -0.45 0.00 0.00 34.95 31.75 3gxf s ARG 48 CO 0.36 -0.72 0.36 -1.33 -0.68 0.00 0.00 175.30 173.28 3gxf n MET 49 N 4.71 -0.62 -3.85 3.54 2.81 -0.80 -4.91 117.12 118.01 3gxf n MET 49 Ca -0.08 -0.18 -0.35 0.00 -1.81 0.00 0.00 57.70 55.29 3gxf n MET 49 Cb 0.44 -0.86 -0.05 0.00 -0.71 0.00 0.00 33.22 32.04 3gxf n MET 49 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 3gxf s GLU 50 N -6.14 3.49 -0.06 0.03 -1.05 -0.60 -4.67 118.70 109.70 3gxf s GLU 50 Ca 0.24 -0.19 -0.19 0.00 -0.15 0.00 0.00 54.97 54.68 3gxf s GLU 50 Cb -0.14 -3.11 -0.05 0.00 -0.44 0.00 0.00 34.13 30.39 3gxf s GLU 50 CO 0.51 0.69 0.53 -1.17 0.95 0.00 0.00 175.26 176.77 3gxf s LEU 51 N -1.68 4.35 0.31 1.83 2.96 -1.26 -1.53 118.68 123.66 3gxf s LEU 51 Ca 0.25 0.98 0.05 0.00 -0.22 0.00 0.00 54.13 55.19 3gxf s LEU 51 Cb -0.13 -2.79 -0.03 0.00 0.50 0.00 0.00 46.19 43.74 3gxf s LEU 51 CO 0.15 0.06 0.23 -0.94 -1.32 0.00 0.00 176.35 174.53 3gxf s SER 52 N 0.19 1.50 0.01 3.68 1.04 -0.35 -5.00 113.70 114.77 3gxf s SER 52 Ca 0.28 -1.67 -0.06 0.00 0.48 0.00 0.00 55.95 54.98 3gxf s SER 52 Cb -0.17 0.51 -0.00 0.00 0.10 0.00 0.00 66.02 66.46 3gxf s SER 52 CO 0.14 -1.00 0.12 -0.32 0.98 0.00 0.00 173.24 173.15 3gxf s MET 53 N -3.63 0.49 0.35 4.02 1.75 -1.26 -0.19 119.30 120.83 3gxf s MET 53 Ca 0.39 -0.48 0.00 0.00 -1.25 0.00 0.00 55.69 54.35 3gxf s MET 53 Cb 0.03 0.20 0.00 0.00 2.84 0.00 0.00 34.83 37.90 3gxf s MET 53 CO 0.23 -0.12 0.46 0.41 -0.65 0.00 0.00 175.02 175.35 3gxf n GLY 54 N 1.35 2.24 3.86 2.11 0.00 -0.86 -4.97 105.19 108.91 3gxf n GLY 54 Ca -0.22 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 3gxf n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gxf s PRO 55 N -2.92 3.92 -0.38 1.61 0.04 -1.26 -2.06 135.00 133.95 3gxf s PRO 55 Ca 0.32 0.51 -0.17 0.00 0.04 0.00 0.00 61.00 61.70 3gxf s PRO 55 Cb -0.00 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 32.02 3gxf s PRO 55 CO 0.23 0.22 0.43 0.42 0.04 0.00 0.00 177.00 178.34 3gxf s ILE 56 N -1.91 5.09 0.54 0.56 1.01 0.14 -4.63 121.20 121.99 3gxf s ILE 56 Ca 0.51 -0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.94 3gxf s ILE 56 Cb -0.11 -3.95 -0.06 0.00 0.01 0.00 0.00 42.46 38.35 3gxf s ILE 56 CO 0.19 -0.27 1.04 -1.10 0.00 0.00 0.00 174.94 174.81 3gxf s GLN 57 N 2.18 3.57 0.15 2.79 -1.52 -0.19 -4.80 119.66 121.84 3gxf s GLN 57 Ca 0.14 1.26 -0.11 0.00 -1.95 0.00 0.00 55.36 54.70 3gxf s GLN 57 Cb -0.16 -2.07 -0.02 0.00 -0.22 0.00 0.00 33.01 30.54 3gxf s GLN 57 CO 0.13 -0.61 1.51 0.00 -0.25 0.00 0.00 175.29 176.07 3gxf h ALA 58 N 0.97 0.62 -2.75 6.09 0.00 -1.87 -0.56 119.26 121.75 3gxf h ALA 58 Ca -0.48 -0.42 -0.29 0.00 0.00 0.00 0.00 54.91 53.72 3gxf h ALA 58 Cb 1.22 -0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.74 3gxf h ALA 58 CO 0.58 0.66 -0.47 0.54 0.00 0.00 0.00 179.25 180.56 3gxf s ASN 59 N -6.75 0.65 -0.03 0.00 4.22 -1.26 -4.70 114.94 107.06 3gxf s ASN 59 Ca -0.11 -1.45 -0.04 0.00 -2.14 0.00 0.00 52.86 49.11 3gxf s ASN 59 Cb 0.11 0.49 0.01 0.00 1.28 0.00 0.00 41.25 43.14 3gxf s ASN 59 CO 0.87 -0.99 0.10 -2.28 -2.04 0.00 0.00 177.10 172.76 3gxf s HIS 60 N -3.81 -0.05 0.04 1.54 5.65 -1.26 -4.86 115.29 112.54 3gxf s HIS 60 Ca 0.37 0.13 0.04 0.00 0.25 0.00 0.00 55.06 55.85 3gxf s HIS 60 Cb 0.04 0.00 -0.02 0.00 -1.18 0.00 0.00 32.58 31.42 3gxf s HIS 60 CO 0.17 -0.11 -0.11 0.95 -0.65 0.00 0.00 174.74 174.99 3gxf s THR 61 N -0.36 0.84 0.00 0.89 -4.23 -1.26 -5.05 115.64 106.48 3gxf s THR 61 Ca -0.04 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 3gxf s THR 61 Cb -0.03 -0.80 0.00 0.00 1.34 0.00 0.00 72.50 73.01 3gxf s THR 61 CO 0.00 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 3gxf n GLY 62 N 1.89 3.15 1.02 3.99 0.00 -1.26 -4.83 105.19 109.15 3gxf n GLY 62 Ca -0.19 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.20 0.00 -2.23 2.61 -2.24 -1.26 -5.10 114.28 104.86 3gxf n THR 63 Ca 0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 3gxf n THR 63 Cb 0.00 0.00 0.17 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.70 1.79 0.09 3.38 0.00 -1.26 -5.01 107.32 104.61 3gxf s GLY 64 Ca 0.00 -1.54 -0.31 0.00 0.00 0.00 0.00 44.72 42.87 3gxf s GLY 64 CO 0.00 -0.81 1.32 -2.27 0.00 0.00 0.00 173.10 171.34 3gxf s LEU 65 N -5.62 4.37 -0.19 0.66 2.96 -1.26 -4.93 118.68 114.68 3gxf s LEU 65 Ca 0.73 2.20 0.01 0.00 -0.22 0.00 0.00 54.13 56.85 3gxf s LEU 65 Cb -0.03 -3.58 0.04 0.00 0.50 0.00 0.00 46.19 43.11 3gxf s LEU 65 CO 0.50 -0.59 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.61 3gxf s LEU 66 N 1.14 2.13 -0.30 -0.68 2.96 -1.26 -1.09 118.68 121.59 3gxf s LEU 66 Ca 0.62 -0.79 -0.19 0.00 -0.22 0.00 0.00 54.13 53.55 3gxf s LEU 66 Cb -0.34 -1.22 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 3gxf s LEU 66 CO 0.30 -0.12 0.58 -0.76 -1.32 0.00 0.00 176.35 175.02 3gxf s LEU 67 N 1.42 4.14 -0.19 -0.68 1.43 -0.00 -0.97 118.68 123.82 3gxf s LEU 67 Ca 0.00 0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 53.44 3gxf s LEU 67 Cb -0.15 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.29 3gxf s LEU 67 CO -0.09 -0.42 0.06 -0.89 0.23 0.00 0.00 176.35 175.24 3gxf s THR 68 N 2.49 4.65 0.25 5.49 2.01 0.15 -0.43 115.64 130.24 3gxf s THR 68 Ca 0.23 -0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.85 3gxf s THR 68 Cb -0.15 -3.10 -0.09 0.00 0.01 0.00 0.00 72.50 69.16 3gxf s THR 68 CO 0.11 0.44 1.26 -0.22 -0.69 0.00 0.00 174.62 175.51 3gxf s LEU 69 N 0.59 4.45 -0.74 4.42 2.96 0.65 -1.41 118.68 129.60 3gxf s LEU 69 Ca 0.03 2.43 0.04 0.00 -0.22 0.00 0.00 54.13 56.41 3gxf s LEU 69 Cb -0.13 -3.62 0.19 0.00 0.50 0.00 0.00 46.19 43.13 3gxf s LEU 69 CO 0.01 -0.44 0.61 0.00 -1.32 0.00 0.00 176.35 175.22 3gxf n GLN 70 N 1.85 2.15 0.33 1.98 6.02 -0.58 -4.69 117.38 124.44 3gxf n GLN 70 Ca 0.03 -4.53 0.22 0.00 -0.01 0.00 0.00 57.00 52.71 3gxf n GLN 70 Cb 0.43 -2.31 1.18 0.00 1.02 0.00 0.00 30.24 30.56 3gxf n GLN 70 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3gxf h PRO 71 N 5.26 0.00 0.00 -1.09 0.13 -1.94 -0.90 132.00 133.46 3gxf h PRO 71 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3gxf h PRO 71 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3gxf h PRO 71 CO 0.78 0.00 -0.64 0.39 -0.23 0.00 0.00 178.00 178.30 3gxf n GLU 72 N -3.16 0.10 -3.16 0.86 -0.58 -1.26 -4.65 120.64 108.79 3gxf n GLU 72 Ca -0.03 0.02 -0.44 0.00 -0.42 0.00 0.00 57.16 56.29 3gxf n GLU 72 Cb 0.08 -1.55 -0.06 0.00 -0.57 0.00 0.00 31.44 29.34 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 -3.06 3.11 -0.07 3.49 -0.21 -0.35 -5.05 119.66 117.51 3gxf s GLN 73 Ca 0.09 -0.96 0.03 0.00 0.02 0.00 0.00 55.36 54.54 3gxf s GLN 73 Cb 0.16 -4.12 -0.02 0.00 1.00 0.00 0.00 33.01 30.03 3gxf s GLN 73 CO 0.73 -1.25 -0.14 0.15 -2.12 0.00 0.00 175.29 172.66 3gxf s LYS 74 N 2.60 2.76 0.00 2.91 1.02 -1.26 -1.80 119.74 125.97 3gxf s LYS 74 Ca 0.14 -0.70 0.00 0.00 0.02 0.00 0.00 55.97 55.44 3gxf s LYS 74 Cb -0.20 -2.45 0.00 0.00 -0.52 0.00 0.00 37.83 34.66 3gxf s LYS 74 CO 0.11 0.50 0.00 1.19 -0.92 0.00 0.00 175.35 176.23 3gxf n PHE 75 N 2.68 0.00 -2.55 3.18 3.01 -0.43 -5.01 117.46 118.33 3gxf n PHE 75 Ca -0.17 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 57.93 3gxf n PHE 75 Cb 0.52 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.95 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 4.85 4.00 0.23 -1.08 0.00 -1.26 -4.62 119.66 121.78 3gxf s GLN 76 Ca 0.00 1.43 -0.21 0.00 -0.00 0.00 0.00 55.36 56.57 3gxf s GLN 76 Cb 0.00 -2.32 -0.08 0.00 0.00 0.00 0.00 33.01 30.61 3gxf s GLN 76 CO 0.00 -0.27 0.76 0.15 0.00 0.00 0.00 175.29 175.93 3gxf s LYS 77 N -2.86 4.35 -0.05 9.60 1.02 -1.26 -1.54 119.74 128.99 3gxf s LYS 77 Ca 0.62 0.98 -0.21 0.00 0.02 0.00 0.00 55.97 57.38 3gxf s LYS 77 Cb -0.19 -2.93 -0.05 0.00 -0.52 0.00 0.00 37.83 34.15 3gxf s LYS 77 CO 0.23 0.41 0.59 0.08 -0.92 0.00 0.00 175.35 175.75 3gxf s VAL 78 N -1.47 5.02 -0.15 3.17 1.01 0.19 -4.72 120.40 123.44 3gxf s VAL 78 Ca 0.43 1.23 -0.27 0.00 0.00 0.00 0.00 61.98 63.36 3gxf s VAL 78 Cb -0.18 -3.93 -0.24 0.00 0.00 0.00 0.00 36.38 32.02 3gxf s VAL 78 CO 0.22 0.35 0.64 0.50 0.00 0.00 0.00 175.10 176.81 3gxf h LYS 79 N 6.24 0.01 0.00 2.72 1.63 0.11 0.14 116.57 127.41 3gxf h LYS 79 Ca -0.43 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 3gxf h LYS 79 Cb 1.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 3gxf h LYS 79 CO 0.73 1.01 0.00 0.41 -3.45 0.00 0.00 179.45 178.14 3gxf n GLY 80 N 1.57 -0.07 3.11 5.01 0.00 -1.19 -4.43 105.19 109.19 3gxf n GLY 80 Ca -0.15 -1.26 -0.12 0.00 0.00 0.00 0.00 46.02 44.48 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 -3.25 -0.08 0.00 1.61 0.40 -1.26 -1.63 117.98 113.77 3gxf s PHE 81 Ca 0.00 0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.50 3gxf s PHE 81 Cb 0.00 0.02 0.00 0.00 0.51 0.00 0.00 43.02 43.55 3gxf s PHE 81 CO 0.00 -0.23 0.00 0.41 0.70 0.00 0.00 175.22 176.10 3gxf n GLY 82 N 2.00 0.74 2.40 4.36 0.00 -0.98 -1.05 105.19 112.67 3gxf n GLY 82 Ca -0.19 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 3gxf n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxf n GLY 83 N 0.00 1.82 3.57 -0.02 0.00 -1.17 -0.38 105.19 109.01 3gxf n GLY 83 Ca 0.00 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.02 3.30 -1.36 4.61 0.00 -0.18 -1.48 121.76 124.64 3gxf s ALA 84 Ca 0.15 -0.86 -0.15 0.00 0.00 0.00 0.00 51.96 51.09 3gxf s ALA 84 Cb -0.02 -1.93 0.07 0.00 0.00 0.00 0.00 23.12 21.24 3gxf s ALA 84 CO 0.11 -0.00 1.93 -0.12 0.00 0.00 0.00 175.76 177.67 3gxf n MET 85 N 3.93 3.10 -1.99 0.00 1.56 -0.59 -1.18 117.12 121.95 3gxf n MET 85 Ca -0.16 -3.07 -0.28 0.00 -0.27 0.00 0.00 57.70 53.92 3gxf n MET 85 Cb 0.52 -3.33 0.11 0.00 2.15 0.00 0.00 33.22 32.67 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 3.29 2.05 0.18 1.12 -4.23 -1.26 -4.40 115.64 112.39 3gxf s THR 86 Ca 0.49 -0.07 -0.14 0.00 -1.18 0.00 0.00 61.69 60.80 3gxf s THR 86 Cb 0.08 -2.98 0.07 0.00 1.34 0.00 0.00 72.50 71.01 3gxf s THR 86 CO -0.00 0.00 1.82 0.44 -0.54 0.00 0.00 174.62 176.34 3gxf h ASP 87 N -1.12 0.55 0.26 3.99 3.32 -1.92 -1.20 116.42 120.30 3gxf h ASP 87 Ca -0.45 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 3gxf h ASP 87 Cb 1.30 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3gxf h ASP 87 CO 0.56 0.39 -0.13 0.00 -1.72 0.00 0.00 179.24 178.35 3gxf h ALA 88 N 1.22 -0.36 -0.30 3.45 0.00 -1.60 -1.14 119.26 120.53 3gxf h ALA 88 Ca 0.20 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3gxf h ALA 88 Cb -0.02 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3gxf h ALA 88 CO -0.07 -0.68 0.10 0.00 0.00 0.00 0.00 179.25 178.59 3gxf h ALA 89 N 0.34 0.33 -0.72 0.00 0.00 -1.66 -1.79 119.26 115.77 3gxf h ALA 89 Ca -0.04 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gxf h ALA 89 Cb 0.30 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3gxf h ALA 89 CO 0.06 -0.31 0.45 0.00 0.00 0.00 0.00 179.25 179.45 3gxf h ALA 90 N 1.19 0.92 -0.59 0.00 0.00 -1.11 -1.13 119.26 118.53 3gxf h ALA 90 Ca 0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3gxf h ALA 90 Cb 0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3gxf h ALA 90 CO -0.14 0.37 0.26 1.25 0.00 0.00 0.00 179.25 180.99 3gxf h LEU 91 N 0.98 0.80 -0.62 0.00 5.85 -0.92 -1.30 115.31 120.10 3gxf h LEU 91 Ca 0.26 -0.15 -0.14 0.00 0.84 0.00 0.00 57.88 58.69 3gxf h LEU 91 Cb -0.05 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 3gxf h LEU 91 CO -0.05 0.73 -0.39 0.78 -0.34 0.00 0.00 178.44 179.16 3gxf h ASN 92 N 0.82 0.68 -0.16 1.25 2.35 -1.15 -2.87 115.58 116.50 3gxf h ASN 92 Ca 0.20 -0.30 -0.05 0.00 -0.55 0.00 0.00 56.30 55.60 3gxf h ASN 92 Cb 0.16 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 3gxf h ASN 92 CO -0.02 1.00 -0.09 0.40 -1.65 0.00 0.00 177.43 177.07 3gxf h ILE 93 N 0.53 1.32 0.00 2.81 2.04 -0.95 -3.14 117.51 120.11 3gxf h ILE 93 Ca 0.05 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.75 3gxf h ILE 93 Cb 0.91 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 3gxf h ILE 93 CO 0.08 0.34 0.00 0.18 0.00 0.00 0.00 178.15 178.75 3gxf n LEU 94 N -4.61 0.00 -0.23 1.44 4.77 -0.51 -2.71 117.00 115.14 3gxf n LEU 94 Ca -0.06 0.06 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 3gxf n LEU 94 Cb 0.31 -0.06 0.63 0.00 -2.33 0.00 0.00 43.42 41.98 3gxf n LEU 94 CO 0.38 -0.00 0.90 0.00 -1.33 0.00 0.00 177.39 177.34 3gxf n ALA 95 N -1.06 2.71 -2.29 -1.18 0.00 -1.08 -4.88 120.51 112.74 3gxf n ALA 95 Ca 0.21 -0.33 -0.23 0.00 0.00 0.00 0.00 53.44 53.09 3gxf n ALA 95 Cb 0.13 -1.29 0.01 0.00 0.00 0.00 0.00 19.45 18.30 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 -2.21 3.59 0.58 0.00 1.43 -1.10 -4.90 118.68 116.07 3gxf s LEU 96 Ca 0.36 0.34 -0.19 0.00 -1.03 0.00 0.00 54.13 53.60 3gxf s LEU 96 Cb 0.21 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 3gxf s LEU 96 CO 0.41 -0.75 1.24 -0.94 0.23 0.00 0.00 176.35 176.54 3gxf s SER 97 N -4.23 5.18 0.32 2.29 1.04 -1.26 -4.71 113.70 112.33 3gxf s SER 97 Ca 0.49 2.48 0.08 0.00 0.48 0.00 0.00 55.95 59.48 3gxf s SER 97 Cb -0.10 -2.61 0.92 0.00 0.10 0.00 0.00 66.02 64.33 3gxf s SER 97 CO 0.39 -1.61 1.61 -0.65 0.98 0.00 0.00 173.24 173.96 3gxf h PRO 98 N 1.01 0.11 -0.13 4.02 0.11 -1.96 -0.81 132.00 134.37 3gxf h PRO 98 Ca -0.51 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 3gxf h PRO 98 Cb 1.30 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3gxf h PRO 98 CO 0.55 0.07 -0.50 -1.35 -0.21 0.00 0.00 178.00 176.57 3gxf h PRO 99 N 0.11 0.34 -0.22 1.05 0.11 -1.91 -2.14 132.00 129.35 3gxf h PRO 99 Ca 0.66 -0.19 -0.09 0.00 0.11 0.00 0.00 66.00 66.49 3gxf h PRO 99 Cb 1.49 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.60 3gxf h PRO 99 CO -0.76 0.76 -0.26 0.00 -0.21 0.00 0.00 178.00 177.54 3gxf h ALA 100 N 1.20 1.16 -0.96 -0.75 0.00 -1.46 -3.03 119.26 115.41 3gxf h ALA 100 Ca 0.01 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.59 3gxf h ALA 100 Cb 0.97 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 3gxf h ALA 100 CO 0.08 0.54 0.64 1.96 0.00 0.00 0.00 179.25 182.47 3gxf h GLN 101 N 0.36 1.27 0.00 0.00 4.20 -0.55 -1.89 115.11 118.49 3gxf h GLN 101 Ca 0.05 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.56 3gxf h GLN 101 Cb 0.65 -0.29 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 3gxf h GLN 101 CO 0.05 0.84 -0.60 -0.91 -0.67 0.00 0.00 178.83 177.53 3gxf h ASN 102 N 1.31 0.00 -0.23 1.46 2.35 -1.39 -1.49 115.58 117.58 3gxf h ASN 102 Ca 0.35 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.93 3gxf h ASN 102 Cb -0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.22 3gxf h ASN 102 CO -0.08 0.60 -0.53 -0.07 -1.65 0.00 0.00 177.43 175.71 3gxf h LEU 103 N 0.00 0.87 -0.47 1.61 3.38 -1.39 0.19 115.31 119.51 3gxf h LEU 103 Ca -0.01 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 3gxf h LEU 103 Cb 1.14 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3gxf h LEU 103 CO 0.08 1.27 0.26 0.25 0.09 0.00 0.00 178.44 180.39 3gxf h LEU 104 N 0.51 0.58 -0.57 1.67 6.46 -1.26 -1.95 115.31 120.75 3gxf h LEU 104 Ca 0.00 -0.08 -0.16 0.00 -0.12 0.00 0.00 57.88 57.53 3gxf h LEU 104 Cb 1.14 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.92 3gxf h LEU 104 CO 0.12 0.49 -0.56 -0.07 -0.62 0.00 0.00 178.44 177.79 3gxf h LEU 105 N 0.62 0.51 -0.95 2.25 3.38 -1.17 -2.89 115.31 117.05 3gxf h LEU 105 Ca 0.17 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 3gxf h LEU 105 Cb 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3gxf h LEU 105 CO -0.03 0.97 -0.42 0.11 0.09 0.00 0.00 178.44 179.16 3gxf h LYS 106 N 0.35 0.00 -0.98 1.13 1.57 -0.60 -0.83 116.57 117.21 3gxf h LYS 106 Ca 0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 3gxf h LYS 106 Cb 1.09 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.33 3gxf h LYS 106 CO 0.10 0.42 0.63 0.77 -0.57 0.00 0.00 179.45 180.81 3gxf h SER 107 N 0.00 0.98 0.05 0.86 0.02 -1.13 -2.14 113.55 112.19 3gxf h SER 107 Ca -0.00 0.02 -0.38 0.00 -0.84 0.00 0.00 61.79 60.58 3gxf h SER 107 Cb 0.91 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 63.20 3gxf h SER 107 CO 0.06 0.61 -2.31 -1.22 -1.14 0.00 0.00 176.83 172.82 3gxf n TYR 108 N -4.52 0.42 0.46 3.45 0.53 -1.10 -0.66 117.16 115.75 3gxf n TYR 108 Ca 0.16 0.09 0.06 0.00 -1.02 0.00 0.00 57.90 57.18 3gxf n TYR 108 Cb 0.22 -1.06 -0.07 0.00 -1.03 0.00 0.00 39.34 37.41 3gxf n TYR 108 CO 0.00 0.00 0.00 1.19 -1.02 0.00 0.00 176.86 177.03 3gxf n PHE 109 N -3.32 0.00 -3.29 -0.72 3.01 -0.33 0.05 117.46 112.85 3gxf n PHE 109 Ca -0.41 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 57.87 3gxf n PHE 109 Cb 1.01 -0.04 -0.00 0.00 -0.01 0.00 0.00 39.48 40.44 3gxf n PHE 109 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3gxf s SER 110 N -2.27 5.62 0.52 4.37 1.04 -0.81 -2.91 113.70 119.27 3gxf s SER 110 Ca 0.03 -0.41 0.32 0.00 0.48 0.00 0.00 55.95 56.37 3gxf s SER 110 Cb 0.09 -0.83 1.28 0.00 0.10 0.00 0.00 66.02 66.65 3gxf s SER 110 CO 0.48 -0.62 1.94 -0.33 0.98 0.00 0.00 173.24 175.69 3gxf h GLU 111 N 0.82 0.00 -0.00 4.02 4.39 -1.84 -0.16 114.58 121.81 3gxf h GLU 111 Ca -0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.28 3gxf h GLU 111 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 3gxf h GLU 111 CO 0.50 0.00 -0.16 0.39 -1.16 0.00 0.00 179.01 178.58 3gxf n GLU 112 N -3.02 0.66 0.00 2.33 4.71 -1.26 -4.67 120.64 119.40 3gxf n GLU 112 Ca 0.01 -0.28 0.00 0.00 -0.01 0.00 0.00 57.16 56.88 3gxf n GLU 112 Cb 0.31 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.25 3gxf n GLU 112 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gxf n GLY 113 N 1.32 3.43 1.00 0.62 0.00 -0.09 -0.28 105.19 111.19 3gxf n GLY 113 Ca 0.13 -1.44 0.08 0.00 0.00 0.00 0.00 46.02 44.79 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 1.93 -3.66 -0.61 -5.35 0.17 -4.87 119.36 106.97 3gxf n ILE 114 Ca 0.00 -1.52 -0.22 0.00 -0.27 0.00 0.00 62.75 60.74 3gxf n ILE 114 Cb 0.00 -0.01 0.04 0.00 -1.74 0.00 0.00 39.64 37.93 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 0.06 -0.43 3.77 3.28 0.00 -1.00 -2.25 105.19 108.62 3gxf n GLY 115 Ca 0.20 0.20 -0.38 0.00 0.00 0.00 0.00 46.02 46.03 3gxf n GLY 115 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gxf s TYR 116 N -3.63 2.87 -0.00 1.61 4.12 0.11 -4.70 117.35 117.73 3gxf s TYR 116 Ca 0.09 1.48 0.00 0.00 0.02 0.00 0.00 57.07 58.66 3gxf s TYR 116 Cb -0.02 -3.53 0.00 0.00 -1.52 0.00 0.00 41.96 36.89 3gxf s TYR 116 CO 0.81 -1.77 0.92 0.27 0.02 0.00 0.00 175.55 175.80 3gxf n ASN 117 N -0.11 0.04 -4.05 2.29 6.94 -0.21 -4.81 115.26 115.35 3gxf n ASN 117 Ca 0.05 -1.84 -0.25 0.00 -0.02 0.00 0.00 54.58 52.52 3gxf n ASN 117 Cb 0.46 -0.17 -0.16 0.00 -2.36 0.00 0.00 39.78 37.54 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 -0.04 1.18 -0.15 1.53 -1.09 -1.02 -0.59 121.20 121.02 3gxf s ILE 118 Ca 0.00 -0.53 0.00 0.00 -2.23 0.00 0.00 60.65 57.90 3gxf s ILE 118 Cb 0.00 -1.06 0.03 0.00 -1.58 0.00 0.00 42.46 39.85 3gxf s ILE 118 CO 0.00 0.36 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.32 3gxf s ILE 119 N 0.49 1.47 -0.09 2.92 1.01 -0.84 -3.02 121.20 123.14 3gxf s ILE 119 Ca -0.11 -0.63 -0.25 0.00 0.00 0.00 0.00 60.65 59.65 3gxf s ILE 119 Cb -0.14 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.87 3gxf s ILE 119 CO 0.03 0.39 0.79 -0.60 0.00 0.00 0.00 174.94 175.55 3gxf s ARG 120 N 1.52 4.41 -0.24 2.79 3.52 -0.55 -1.38 118.95 129.03 3gxf s ARG 120 Ca 0.04 1.01 0.02 0.00 -0.13 0.00 0.00 55.73 56.67 3gxf s ARG 120 Cb -0.13 -3.49 0.04 0.00 -1.56 0.00 0.00 34.95 29.81 3gxf s ARG 120 CO -0.10 -0.08 -0.12 0.08 -0.81 0.00 0.00 175.30 174.27 3gxf s VAL 121 N 1.25 2.28 0.34 7.11 1.01 0.21 -1.55 120.40 131.05 3gxf s VAL 121 Ca 0.40 -1.34 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 3gxf s VAL 121 Cb -0.18 -2.21 -0.11 0.00 0.00 0.00 0.00 36.38 33.89 3gxf s VAL 121 CO 0.18 0.16 1.50 -2.84 0.00 0.00 0.00 175.10 174.10 3gxf s PRO 122 N 1.19 4.15 -0.63 2.72 0.02 -1.26 -1.87 135.00 139.32 3gxf s PRO 122 Ca -0.04 2.52 -0.20 0.00 0.02 0.00 0.00 61.00 63.31 3gxf s PRO 122 Cb -0.18 -3.00 0.10 0.00 0.02 0.00 0.00 34.50 31.44 3gxf s PRO 122 CO -0.07 -0.52 0.80 -1.64 -0.33 0.00 0.00 177.00 175.24 3gxf s MET 123 N -1.48 3.10 3.63 5.54 -1.94 -0.13 -4.87 119.30 123.16 3gxf s MET 123 Ca 0.56 -1.25 0.00 0.00 -1.71 0.00 0.00 55.69 53.29 3gxf s MET 123 Cb -0.46 -4.30 0.00 0.00 2.01 0.00 0.00 34.83 32.08 3gxf s MET 123 CO 0.56 -1.62 0.00 0.00 -0.01 0.00 0.00 175.02 173.95 3gxf n ALA 124 N 6.64 0.00 -2.04 3.03 0.00 -1.26 -4.13 120.51 122.74 3gxf n ALA 124 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.05 3gxf n ALA 124 Cb 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 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 6.84 0.00 0.00 1.04 -1.22 -4.94 113.70 111.42 3gxf s SER 125 Ca 0.00 1.41 0.00 0.00 0.48 0.00 0.00 55.95 57.84 3gxf s SER 125 Cb 0.00 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.70 3gxf s SER 125 CO 0.00 -0.23 0.00 0.00 0.98 0.00 0.00 173.24 173.99 3gxf h ASP 127 N 0.00 0.58 -0.02 0.00 2.03 -1.97 -3.21 116.42 113.83 3gxf h ASP 127 Ca 0.00 -0.31 -0.35 0.00 -0.73 0.00 0.00 57.03 55.63 3gxf h ASP 127 Cb 0.00 -0.17 -0.04 0.00 -0.83 0.00 0.00 39.33 38.30 3gxf h ASP 127 CO 0.00 1.02 1.03 0.49 -1.03 0.00 0.00 179.24 180.74 3gxf n PHE 128 N -3.95 0.82 -4.23 4.15 3.01 -1.26 -1.57 117.46 114.44 3gxf n PHE 128 Ca -0.03 -2.04 -0.13 0.00 1.01 0.00 0.00 57.45 56.26 3gxf n PHE 128 Cb 0.61 -1.89 -0.10 0.00 -0.01 0.00 0.00 39.48 38.09 3gxf n PHE 128 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3gxf s SER 129 N 2.03 0.76 0.00 4.37 0.01 -1.21 -1.62 113.70 118.03 3gxf s SER 129 Ca 0.68 -1.29 0.08 0.00 1.31 0.00 0.00 55.95 56.72 3gxf s SER 129 Cb 0.27 0.23 0.21 0.00 0.21 0.00 0.00 66.02 66.94 3gxf s SER 129 CO -0.02 -0.71 1.15 2.30 0.41 0.00 0.00 173.24 176.37 3gxf n ILE 130 N -0.28 0.94 -3.49 1.44 -5.35 -1.26 -1.92 119.36 109.43 3gxf n ILE 130 Ca -0.02 -0.97 -0.10 0.00 -0.27 0.00 0.00 62.75 61.39 3gxf n ILE 130 Cb 0.65 0.54 -0.03 0.00 -1.74 0.00 0.00 39.64 39.06 3gxf n ILE 130 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3gxf s ARG 131 N -0.98 0.92 0.31 6.28 1.70 -1.26 -4.95 118.95 120.97 3gxf s ARG 131 Ca 0.16 -0.26 -0.14 0.00 -0.47 0.00 0.00 55.73 55.02 3gxf s ARG 131 Cb 0.08 0.42 -0.09 0.00 -0.57 0.00 0.00 34.95 34.80 3gxf s ARG 131 CO 0.11 -0.39 0.71 0.95 -1.08 0.00 0.00 175.30 175.60 3gxf s THR 132 N -2.95 4.72 0.00 4.99 -4.23 -1.26 -4.79 115.64 112.13 3gxf s THR 132 Ca 0.02 0.87 0.00 0.00 -1.18 0.00 0.00 61.69 61.40 3gxf s THR 132 Cb -0.01 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.22 3gxf s THR 132 CO -0.08 -0.17 0.00 0.00 -0.54 0.00 0.00 174.62 173.83 3gxf n TYR 133 N -0.34 0.00 -4.57 3.99 0.18 -1.26 -5.03 117.16 110.13 3gxf n TYR 133 Ca 0.03 0.00 -0.28 0.00 1.88 0.00 0.00 57.90 59.54 3gxf n TYR 133 Cb 0.53 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.41 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 -1.85 0.65 -0.94 -3.48 -4.23 -1.26 -3.38 115.64 101.15 3gxf s THR 134 Ca 0.00 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.78 3gxf s THR 134 Cb 0.00 -2.27 0.24 0.00 1.34 0.00 0.00 72.50 71.81 3gxf s THR 134 CO 0.00 0.00 1.85 -1.22 -0.54 0.00 0.00 174.62 174.71 3gxf n TYR 135 N -1.01 0.18 -3.17 3.99 0.53 -1.26 -4.39 117.16 112.03 3gxf n TYR 135 Ca -0.09 0.05 -0.22 0.00 -1.02 0.00 0.00 57.90 56.62 3gxf n TYR 135 Cb 0.65 -0.59 -0.06 0.00 -1.03 0.00 0.00 39.34 38.32 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 -1.55 2.19 0.96 -0.72 0.00 -1.26 -1.50 120.51 118.63 3gxf n ALA 136 Ca 0.06 -3.31 0.12 0.00 0.00 0.00 0.00 53.44 50.32 3gxf n ALA 136 Cb 0.33 -0.85 0.31 0.00 0.00 0.00 0.00 19.45 19.24 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 1.24 0.43 -4.61 0.00 8.00 -1.26 -4.66 116.55 115.68 3gxf n ASP 137 Ca 0.21 -0.08 -0.43 0.00 0.71 0.00 0.00 54.79 55.20 3gxf n ASP 137 Cb 0.56 0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.73 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 -3.01 3.33 0.44 -3.53 2.01 -1.26 -4.93 115.64 108.68 3gxf s THR 138 Ca 0.11 0.35 -0.25 0.00 0.31 0.00 0.00 61.69 62.22 3gxf s THR 138 Cb 0.17 -3.39 -0.09 0.00 0.01 0.00 0.00 72.50 69.20 3gxf s THR 138 CO 0.67 -0.22 1.30 -2.65 -0.69 0.00 0.00 174.62 173.04 3gxf n PRO 139 N 8.28 1.96 -1.86 4.92 -0.02 -1.26 -2.81 135.00 144.20 3gxf n PRO 139 Ca 0.24 0.70 -0.18 0.00 -2.02 0.00 0.00 63.50 62.23 3gxf n PRO 139 Cb 0.45 -2.44 -0.05 0.00 -0.02 0.00 0.00 33.50 31.44 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 0.02 -5.28 -3.51 2.55 9.92 -1.26 -4.90 116.55 114.09 3gxf n ASP 140 Ca 0.07 0.27 -0.40 0.00 -0.53 0.00 0.00 54.79 54.19 3gxf n ASP 140 Cb 0.40 -4.38 -0.01 0.00 -0.64 0.00 0.00 41.12 36.49 3gxf n ASP 140 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3gxf n ASP 141 N -1.20 7.40 -0.01 -2.24 2.03 -1.12 -4.79 116.55 116.62 3gxf n ASP 141 Ca -0.20 -2.93 0.16 0.00 0.52 0.00 0.00 54.79 52.34 3gxf n ASP 141 Cb 0.63 -1.47 0.61 0.00 -0.72 0.00 0.00 41.12 40.17 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 5.04 0.17 0.00 -0.67 -1.00 -1.91 0.24 116.94 118.82 3gxf h PHE 142 Ca 0.70 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.48 3gxf h PHE 142 Cb 0.38 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.88 3gxf h PHE 142 CO 1.62 0.08 0.00 1.04 -1.61 0.00 0.00 178.31 179.44 3gxf n GLN 143 N -4.43 0.04 -3.52 1.51 1.13 -1.26 -4.79 117.38 106.05 3gxf n GLN 143 Ca 0.09 0.12 -0.25 0.00 -1.94 0.00 0.00 57.00 55.02 3gxf n GLN 143 Cb 0.47 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.38 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 -1.47 -3.06 0.03 1.08 4.77 0.85 -4.92 117.00 114.27 3gxf n LEU 144 Ca 0.06 -0.52 -0.02 0.00 -0.03 0.00 0.00 56.01 55.50 3gxf n LEU 144 Cb 0.24 -2.92 0.23 0.00 -2.33 0.00 0.00 43.42 38.65 3gxf n LEU 144 CO 0.20 0.52 0.77 -0.74 -1.33 0.00 0.00 177.39 176.81 3gxf h HIS 145 N -2.28 0.49 -0.69 -1.77 2.76 -1.91 -2.70 115.15 109.05 3gxf h HIS 145 Ca -0.56 -0.09 -0.18 0.00 -2.20 0.00 0.00 60.37 57.34 3gxf h HIS 145 Cb 1.37 -0.13 -0.11 0.00 1.55 0.00 0.00 27.41 30.09 3gxf h HIS 145 CO 0.52 0.63 0.22 0.09 -1.30 0.00 0.00 177.93 178.10 3gxf n ASN 146 N -4.15 4.83 -4.71 3.26 3.02 -1.26 -4.97 115.26 111.29 3gxf n ASN 146 Ca -0.00 -3.20 -0.42 0.00 -0.03 0.00 0.00 54.58 50.92 3gxf n ASN 146 Cb 0.37 -0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 38.79 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 -2.98 3.00 0.16 3.10 5.36 -1.02 -4.70 117.98 120.91 3gxf s PHE 147 Ca 0.54 0.76 -0.23 0.00 -0.96 0.00 0.00 56.93 57.04 3gxf s PHE 147 Cb 0.43 -3.77 0.07 0.00 -0.34 0.00 0.00 43.02 39.41 3gxf s PHE 147 CO 0.13 -2.83 0.64 -1.54 -1.46 0.00 0.00 175.22 170.16 3gxf s SER 148 N 1.47 -0.52 0.03 6.13 1.04 -0.56 -5.03 113.70 116.27 3gxf s SER 148 Ca 0.67 -0.07 -0.28 0.00 0.48 0.00 0.00 55.95 56.75 3gxf s SER 148 Cb -0.38 0.60 -0.05 0.00 0.10 0.00 0.00 66.02 66.30 3gxf s SER 148 CO 0.30 -0.98 0.87 -0.76 0.98 0.00 0.00 173.24 173.65 3gxf s LEU 149 N -2.75 4.42 0.00 2.42 1.43 -1.26 -4.50 118.68 118.43 3gxf s LEU 149 Ca 0.02 1.56 -0.06 0.00 -1.03 0.00 0.00 54.13 54.63 3gxf s LEU 149 Cb -0.02 -3.40 0.12 0.00 0.03 0.00 0.00 46.19 42.92 3gxf s LEU 149 CO -0.10 -0.11 0.77 -0.81 0.23 0.00 0.00 176.35 176.33 3gxf n PRO 150 N 3.28 -0.41 0.16 1.29 -0.04 -1.26 -4.84 135.00 133.17 3gxf n PRO 150 Ca 0.02 -1.52 0.02 0.00 -0.04 0.00 0.00 63.50 61.98 3gxf n PRO 150 Cb 0.50 -0.69 0.21 0.00 -0.04 0.00 0.00 33.50 33.48 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 -0.94 0.54 5.08 -1.98 -1.78 114.58 115.51 3gxf h GLU 151 Ca -0.25 0.00 0.27 0.00 -1.00 0.00 0.00 59.36 58.38 3gxf h GLU 151 Cb 0.78 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.88 3gxf h GLU 151 CO 0.21 0.52 0.39 0.93 -1.00 0.00 0.00 179.01 180.06 3gxf h GLU 152 N 0.00 0.27 0.00 2.33 3.07 -1.96 0.37 114.58 118.67 3gxf h GLU 152 Ca -0.01 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3gxf h GLU 152 Cb 1.09 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.94 3gxf h GLU 152 CO 0.07 0.18 -0.02 -0.44 -1.40 0.00 0.00 179.01 177.40 3gxf h ASP 153 N 0.28 0.00 1.09 1.42 3.32 -1.72 -1.03 116.42 119.79 3gxf h ASP 153 Ca 0.63 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 57.38 3gxf h ASP 153 Cb 1.34 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 3gxf h ASP 153 CO -0.62 0.63 -0.25 0.71 -1.72 0.00 0.00 179.24 177.99 3gxf h THR 154 N -1.00 0.56 0.00 0.35 1.35 -1.16 0.73 112.91 113.74 3gxf h THR 154 Ca -0.00 -1.29 -0.07 0.00 -0.55 0.00 0.00 66.41 64.49 3gxf h THR 154 Cb 0.26 1.89 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 3gxf h THR 154 CO -0.00 0.25 -1.59 0.29 -0.25 0.00 0.00 175.52 174.22 3gxf n LYS 155 N -3.34 1.11 0.00 4.72 4.76 0.13 -4.43 118.16 121.11 3gxf n LYS 155 Ca 0.01 -0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 3gxf n LYS 155 Cb 0.49 -1.27 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 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 -2.08 0.00 0.14 -0.35 4.77 -1.01 -4.71 117.00 113.76 3gxf n LEU 156 Ca -0.08 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.77 3gxf n LEU 156 Cb 0.51 -0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 41.26 3gxf n LEU 156 CO 0.23 -0.41 0.61 0.11 -1.33 0.00 0.00 177.39 176.60 3gxf h LYS 157 N 0.00 -0.34 0.59 3.23 1.57 -1.14 -2.91 116.57 117.57 3gxf h LYS 157 Ca 0.00 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3gxf h LYS 157 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3gxf h LYS 157 CO 0.00 -0.05 -0.31 0.82 -0.57 0.00 0.00 179.45 179.35 3gxf h ILE 158 N -0.63 0.37 -0.95 1.86 2.04 -1.09 -0.27 117.51 118.84 3gxf h ILE 158 Ca -0.04 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.96 3gxf h ILE 158 Cb 0.45 0.37 -0.08 0.00 -0.74 0.00 0.00 36.82 36.82 3gxf h ILE 158 CO 0.06 0.00 0.60 -0.65 0.00 0.00 0.00 178.15 178.16 3gxf h PRO 159 N -0.83 0.81 -0.12 2.37 0.11 -1.77 -0.35 132.00 132.23 3gxf h PRO 159 Ca -0.08 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.89 3gxf h PRO 159 Cb 0.65 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 3gxf h PRO 159 CO 0.11 0.54 -0.33 -0.07 -0.21 0.00 0.00 178.00 178.03 3gxf h LEU 160 N 0.83 0.24 -0.21 2.35 3.38 -1.26 -2.26 115.31 118.38 3gxf h LEU 160 Ca 0.48 -0.08 -0.17 0.00 0.09 0.00 0.00 57.88 58.19 3gxf h LEU 160 Cb 0.62 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3gxf h LEU 160 CO -0.24 0.56 -0.55 0.40 0.09 0.00 0.00 178.44 178.70 3gxf h ILE 161 N 0.20 1.30 -0.84 1.22 2.04 0.19 -1.43 117.51 120.20 3gxf h ILE 161 Ca 0.03 -1.77 0.10 0.00 1.00 0.00 0.00 64.86 64.22 3gxf h ILE 161 Cb 0.69 1.85 -0.08 0.00 -0.74 0.00 0.00 36.82 38.54 3gxf h ILE 161 CO 0.05 0.56 0.47 0.45 0.00 0.00 0.00 178.15 179.69 3gxf h HIS 162 N 0.47 0.86 -0.45 1.37 3.86 -1.02 -1.11 115.15 119.12 3gxf h HIS 162 Ca -0.01 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.13 3gxf h HIS 162 Cb 1.17 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.37 3gxf h HIS 162 CO 0.09 0.33 -0.11 0.00 0.86 0.00 0.00 177.93 179.10 3gxf h ARG 163 N 0.78 0.87 -0.40 2.45 3.08 -1.31 -1.37 114.38 118.48 3gxf h ARG 163 Ca 0.41 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3gxf h ARG 163 Cb 0.41 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 3gxf h ARG 163 CO -0.26 0.98 0.26 0.00 -1.07 0.00 0.00 179.97 179.87 3gxf h ALA 164 N 0.87 0.51 -0.32 0.04 0.00 -0.74 -1.84 119.26 117.78 3gxf h ALA 164 Ca 0.11 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3gxf h ALA 164 Cb 0.66 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3gxf h ALA 164 CO 0.05 -0.01 -0.08 -0.07 0.00 0.00 0.00 179.25 179.13 3gxf h LEU 165 N 0.54 0.50 -0.76 0.00 3.38 -1.05 -1.94 115.31 115.99 3gxf h LEU 165 Ca 0.15 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3gxf h LEU 165 Cb -0.03 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3gxf h LEU 165 CO -0.03 0.63 -0.12 -0.61 0.09 0.00 0.00 178.44 178.40 3gxf h GLN 166 N 0.49 0.82 0.00 1.13 5.75 -0.91 -3.08 115.11 119.31 3gxf h GLN 166 Ca 0.10 -0.28 -0.02 0.00 -0.15 0.00 0.00 58.65 58.30 3gxf h GLN 166 Cb 0.45 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.93 3gxf h GLN 166 CO 0.02 0.90 -0.08 -0.07 -2.65 0.00 0.00 178.83 176.96 3gxf h LEU 167 N 0.74 0.00 -9.62 -2.39 3.38 -0.77 -3.45 115.31 103.20 3gxf h LEU 167 Ca 0.12 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.57 3gxf h LEU 167 Cb 0.62 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 3gxf h LEU 167 CO 0.04 0.08 0.24 0.00 0.09 0.00 0.00 178.44 178.89 3gxf s ALA 168 N -3.44 3.36 -0.12 1.53 0.00 -0.78 -3.85 121.76 118.45 3gxf s ALA 168 Ca 0.03 0.42 -0.16 0.00 0.00 0.00 0.00 51.96 52.25 3gxf s ALA 168 Cb 0.08 -3.08 -0.15 0.00 0.00 0.00 0.00 23.12 19.97 3gxf s ALA 168 CO 0.62 0.12 0.43 1.96 0.00 0.00 0.00 175.76 178.89 3gxf h GLN 169 N 5.09 0.00 -6.68 0.00 1.08 -1.87 -3.47 115.11 109.26 3gxf h GLN 169 Ca -0.45 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.17 3gxf h GLN 169 Cb 1.21 0.00 0.14 0.00 -0.05 0.00 0.00 27.48 28.78 3gxf h GLN 169 CO 0.69 0.57 0.14 0.54 -0.95 0.00 0.00 178.83 179.82 3gxf n ARG 170 N -4.68 1.23 -1.70 1.46 1.74 -1.26 -4.95 116.66 108.50 3gxf n ARG 170 Ca -0.06 0.45 -0.43 0.00 -0.77 0.00 0.00 57.85 57.04 3gxf n ARG 170 Cb 0.28 -2.06 -0.01 0.00 -1.02 0.00 0.00 32.46 29.64 3gxf n ARG 170 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3gxf n PRO 171 N -0.10 2.18 -4.62 5.56 -0.02 -1.26 -5.02 135.00 131.72 3gxf n PRO 171 Ca 0.10 0.77 -0.34 0.00 -2.02 0.00 0.00 63.50 62.01 3gxf n PRO 171 Cb 0.41 -2.38 -0.11 0.00 -0.02 0.00 0.00 33.50 31.40 3gxf n PRO 171 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gxf s VAL 172 N -0.90 3.71 -0.22 -1.45 1.01 -1.26 -4.78 120.40 116.50 3gxf s VAL 172 Ca 0.57 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 3gxf s VAL 172 Cb -0.57 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 3gxf s VAL 172 CO 0.60 0.59 0.06 -0.44 0.00 0.00 0.00 175.10 175.92 3gxf s SER 173 N -0.73 5.29 -0.06 3.32 0.01 0.24 -4.97 113.70 116.80 3gxf s SER 173 Ca 0.11 -0.10 -0.18 0.00 1.31 0.00 0.00 55.95 57.09 3gxf s SER 173 Cb -0.11 -1.93 -0.05 0.00 0.21 0.00 0.00 66.02 64.14 3gxf s SER 173 CO 0.02 0.05 0.48 -0.76 0.41 0.00 0.00 173.24 173.43 3gxf s LEU 174 N 1.12 4.36 -0.16 2.44 1.43 -1.26 -1.99 118.68 124.63 3gxf s LEU 174 Ca 0.04 0.93 0.02 0.00 -1.03 0.00 0.00 54.13 54.09 3gxf s LEU 174 Cb -0.14 -2.71 0.01 0.00 0.03 0.00 0.00 46.19 43.39 3gxf s LEU 174 CO 0.03 0.12 -0.21 -0.22 0.23 0.00 0.00 176.35 176.30 3gxf s LEU 175 N -0.06 2.11 -0.05 1.79 2.96 -0.48 0.20 118.68 125.14 3gxf s LEU 175 Ca 0.26 -0.62 -0.01 0.00 -0.22 0.00 0.00 54.13 53.54 3gxf s LEU 175 Cb -0.16 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 3gxf s LEU 175 CO 0.13 0.04 0.02 0.00 -1.32 0.00 0.00 176.35 175.22 3gxf s ALA 176 N 1.03 3.38 -0.02 5.97 0.00 -0.57 0.66 121.76 132.21 3gxf s ALA 176 Ca -0.02 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.10 3gxf s ALA 176 Cb -0.14 -1.49 0.02 0.00 0.00 0.00 0.00 23.12 21.51 3gxf s ALA 176 CO -0.07 0.62 0.01 -1.12 0.00 0.00 0.00 175.76 175.21 3gxf s SER 177 N -1.23 0.19 0.23 0.00 0.01 -0.78 -1.09 113.70 111.03 3gxf s SER 177 Ca 0.17 0.00 -0.17 0.00 1.31 0.00 0.00 55.95 57.26 3gxf s SER 177 Cb -0.12 -0.10 -0.08 0.00 0.21 0.00 0.00 66.02 65.94 3gxf s SER 177 CO 0.07 -0.08 0.69 -2.16 0.41 0.00 0.00 173.24 172.16 3gxf s PRO 178 N 0.75 4.12 -0.27 12.44 0.04 -1.26 -0.96 135.00 149.87 3gxf s PRO 178 Ca -0.07 0.73 -0.12 0.00 0.04 0.00 0.00 61.00 61.58 3gxf s PRO 178 Cb -0.10 -2.78 -0.13 0.00 0.04 0.00 0.00 34.50 31.53 3gxf s PRO 178 CO -0.02 0.35 -0.31 0.91 0.04 0.00 0.00 177.00 177.97 3gxf n TRP 179 N 0.46 0.05 -4.21 0.56 8.01 -1.26 -0.71 117.44 120.34 3gxf n TRP 179 Ca -0.01 0.02 -0.18 0.00 -1.31 0.00 0.00 57.50 56.01 3gxf n TRP 179 Cb 0.52 -1.00 -0.12 0.00 -2.01 0.00 0.00 31.31 28.70 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 -2.51 1.22 0.73 -0.99 -1.32 -1.26 -2.11 115.64 109.41 3gxf s THR 180 Ca -0.38 -1.52 -0.12 0.00 -1.21 0.00 0.00 61.69 58.46 3gxf s THR 180 Cb 0.14 -1.32 0.03 0.00 -1.51 0.00 0.00 72.50 69.84 3gxf s THR 180 CO 0.51 -0.33 1.12 -0.94 -2.21 0.00 0.00 174.62 172.77 3gxf s SER 181 N -2.11 5.18 0.48 8.08 1.04 -1.26 -4.98 113.70 120.12 3gxf s SER 181 Ca 0.04 1.07 -0.20 0.00 0.48 0.00 0.00 55.95 57.33 3gxf s SER 181 Cb -0.07 -1.79 -0.12 0.00 0.10 0.00 0.00 66.02 64.13 3gxf s SER 181 CO 0.02 -1.51 0.39 -2.65 0.98 0.00 0.00 173.24 170.48 3gxf n PRO 182 N -3.11 0.41 0.15 4.02 -0.02 -1.26 -4.85 135.00 130.34 3gxf n PRO 182 Ca 0.07 0.16 -0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3gxf n PRO 182 Cb 0.58 -1.44 0.21 0.00 -0.02 0.00 0.00 33.50 32.82 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 0.45 1.40 0.00 3.45 1.35 -1.88 -2.46 112.91 115.23 3gxf h THR 183 Ca -0.42 -1.95 0.00 0.00 -0.55 0.00 0.00 66.41 63.49 3gxf h THR 183 Cb 1.41 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 69.88 3gxf h THR 183 CO 0.48 0.56 0.00 -2.67 -0.25 0.00 0.00 175.52 173.64 3gxf n TRP 184 N -3.86 0.39 1.15 4.73 4.27 -1.26 -1.67 117.44 121.18 3gxf n TRP 184 Ca -0.01 0.18 0.13 0.00 -3.89 0.00 0.00 57.50 53.90 3gxf n TRP 184 Cb 0.57 -0.78 0.31 0.00 -1.36 0.00 0.00 31.31 30.05 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 -1.88 0.86 -4.65 5.67 4.77 -0.93 -4.84 117.00 116.01 3gxf n LEU 185 Ca 0.01 -0.18 -0.30 0.00 -0.03 0.00 0.00 56.01 55.50 3gxf n LEU 185 Cb 0.10 -0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 40.94 3gxf n LEU 185 CO 0.10 0.17 -0.36 -0.54 -1.33 0.00 0.00 177.39 175.44 3gxf s LYS 186 N -2.69 2.47 0.48 3.23 1.02 -0.67 -0.58 119.74 123.01 3gxf s LYS 186 Ca 0.19 -0.85 0.23 0.00 0.02 0.00 0.00 55.97 55.56 3gxf s LYS 186 Cb 0.19 -2.49 1.23 0.00 -0.52 0.00 0.00 37.83 36.23 3gxf s LYS 186 CO 0.59 0.55 2.01 1.79 -0.92 0.00 0.00 175.35 179.37 3gxf h THR 187 N 3.10 0.77 -0.04 2.17 1.35 -1.10 -3.00 112.91 116.16 3gxf h THR 187 Ca -0.48 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 3gxf h THR 187 Cb 1.17 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 3gxf h THR 187 CO 0.57 0.17 0.00 -0.46 -0.25 0.00 0.00 175.52 175.55 3gxf n ASN 188 N -3.81 2.75 -1.15 5.36 6.94 -1.26 -4.98 115.26 119.10 3gxf n ASN 188 Ca -0.02 -1.87 -0.15 0.00 -0.02 0.00 0.00 54.58 52.52 3gxf n ASN 188 Cb 0.27 -0.01 -0.06 0.00 -2.36 0.00 0.00 39.78 37.62 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 1.17 1.48 3.20 4.83 0.00 -1.14 -4.97 105.19 109.77 3gxf n GLY 189 Ca 0.12 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.39 1.15 -0.04 4.61 0.00 -1.26 -4.82 121.76 119.01 3gxf s ALA 190 Ca 0.00 -1.48 0.12 0.00 0.00 0.00 0.00 51.96 50.60 3gxf s ALA 190 Cb 0.00 0.40 -0.06 0.00 0.00 0.00 0.00 23.12 23.46 3gxf s ALA 190 CO 0.00 -0.29 1.33 -0.39 0.00 0.00 0.00 175.76 176.41 3gxf h VAL 191 N 2.83 1.20 -3.79 0.00 -1.51 -1.92 -3.45 116.25 109.61 3gxf h VAL 191 Ca -0.36 -2.72 0.00 0.00 -1.23 0.00 0.00 66.70 62.39 3gxf h VAL 191 Cb 1.19 2.58 0.00 0.00 -2.13 0.00 0.00 31.29 32.93 3gxf h VAL 191 CO 0.63 0.68 0.00 -0.46 -1.23 0.00 0.00 177.57 177.20 3gxf n ASN 192 N -3.26 1.69 0.00 4.19 0.23 -1.26 -1.74 115.26 115.11 3gxf n ASN 192 Ca 0.00 -0.79 0.00 0.00 -0.53 0.00 0.00 54.58 53.26 3gxf n ASN 192 Cb 0.83 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.53 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 -0.39 3.69 4.83 0.00 0.51 -4.83 105.19 114.01 3gxf n GLY 193 Ca 0.00 -1.82 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.15 4.36 0.00 1.61 2.20 -1.18 -4.46 119.74 121.12 3gxf s LYS 194 Ca 0.00 0.88 0.00 0.00 -0.36 0.00 0.00 55.97 56.49 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 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.31 3gxf n GLY 195 N 3.31 2.45 1.16 5.54 0.00 0.02 -4.69 105.19 113.00 3gxf n GLY 195 Ca 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 1.07 -4.76 1.61 3.41 -1.26 -1.53 113.62 112.16 3gxf n SER 196 Ca 0.00 -1.75 -0.38 0.00 -0.26 0.00 0.00 58.87 56.47 3gxf n SER 196 Cb 0.00 0.35 0.02 0.00 -0.26 0.00 0.00 64.21 64.32 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 3.97 0.76 1.04 1.43 -1.26 -0.60 118.68 124.02 3gxf s LEU 197 Ca 0.07 2.68 -0.11 0.00 -1.03 0.00 0.00 54.13 55.74 3gxf s LEU 197 Cb 0.00 -4.17 0.05 0.00 0.03 0.00 0.00 46.19 42.10 3gxf s LEU 197 CO 0.05 -1.29 1.09 -0.54 0.23 0.00 0.00 176.35 175.89 3gxf s LYS 198 N -2.72 2.39 3.93 1.70 1.02 0.26 -4.59 119.74 121.74 3gxf s LYS 198 Ca 0.67 0.67 0.00 0.00 0.02 0.00 0.00 55.97 57.33 3gxf s LYS 198 Cb -0.38 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 3gxf s LYS 198 CO 0.46 -1.41 0.00 0.41 -0.92 0.00 0.00 175.35 173.89 3gxf n GLY 199 N -2.23 0.74 3.03 -3.33 0.00 -1.26 -4.57 105.19 97.56 3gxf n GLY 199 Ca 0.07 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 45.15 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 0.56 0.09 1.61 -1.52 -1.26 -5.07 119.66 114.07 3gxf s GLN 200 Ca 0.00 -0.48 -0.33 0.00 -1.95 0.00 0.00 55.36 52.60 3gxf s GLN 200 Cb 0.00 -0.47 -0.18 0.00 -0.22 0.00 0.00 33.01 32.14 3gxf s GLN 200 CO 0.00 0.12 0.77 -2.30 -0.25 0.00 0.00 175.29 173.63 3gxf n PRO 201 N 2.27 0.00 0.00 2.91 -0.02 -1.26 -1.96 135.00 136.95 3gxf n PRO 201 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 3gxf n PRO 201 Cb 0.56 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 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 1.62 3.28 2.75 -1.23 0.00 -1.26 -5.03 105.19 105.33 3gxf n GLY 202 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 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 1.07 -0.19 1.61 5.75 -0.83 -4.77 116.55 119.20 3gxf n ASP 203 Ca 0.00 -1.87 -0.09 0.00 -0.01 0.00 0.00 54.79 52.83 3gxf n ASP 203 Cb 0.00 -0.43 0.01 0.00 -1.03 0.00 0.00 41.12 39.68 3gxf n ASP 203 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 3gxf h ILE 204 N -0.41 1.24 0.12 2.12 2.10 -1.95 0.33 117.51 121.05 3gxf h ILE 204 Ca -0.23 -0.83 0.01 0.00 1.08 0.00 0.00 64.86 64.90 3gxf h ILE 204 Cb 0.87 0.78 -0.03 0.00 -1.09 0.00 0.00 36.82 37.35 3gxf h ILE 204 CO 0.26 0.31 -0.21 1.88 -1.08 0.00 0.00 178.15 179.30 3gxf h TYR 205 N 0.73 -0.54 -0.73 2.19 0.05 -1.92 0.13 116.97 116.88 3gxf h TYR 205 Ca 0.17 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.92 3gxf h TYR 205 Cb 0.31 0.22 -0.03 0.00 1.01 0.00 0.00 36.73 38.25 3gxf h TYR 205 CO 0.02 -0.30 0.31 0.45 -1.05 0.00 0.00 178.16 177.59 3gxf h HIS 206 N -0.40 1.10 -0.22 4.88 3.86 -1.73 0.15 115.15 122.79 3gxf h HIS 206 Ca 0.02 -0.07 -0.06 0.00 -1.16 0.00 0.00 60.37 59.10 3gxf h HIS 206 Cb 0.41 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 3gxf h HIS 206 CO -0.19 0.83 -0.10 1.96 0.86 0.00 0.00 177.93 181.29 3gxf h GLN 207 N 1.05 0.45 -0.38 2.45 1.08 -0.25 -1.44 115.11 118.06 3gxf h GLN 207 Ca 0.25 -0.19 0.05 0.00 -1.45 0.00 0.00 58.65 57.30 3gxf h GLN 207 Cb 0.18 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.55 3gxf h GLN 207 CO -0.02 0.72 0.11 1.15 -0.95 0.00 0.00 178.83 179.84 3gxf h THR 208 N 0.16 0.86 -0.67 -0.54 2.02 -0.65 0.00 112.91 114.09 3gxf h THR 208 Ca 0.05 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 3gxf h THR 208 Cb 0.59 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 3gxf h THR 208 CO 0.03 0.05 0.35 -0.25 0.37 0.00 0.00 175.52 176.07 3gxf h TRP 209 N 0.26 0.91 -0.22 3.16 -0.00 -0.86 -1.40 115.95 117.80 3gxf h TRP 209 Ca 0.18 -0.02 -0.13 0.00 -0.00 0.00 0.00 58.89 58.92 3gxf h TRP 209 Cb 0.18 -0.29 -0.01 0.00 -0.00 0.00 0.00 29.16 29.03 3gxf h TRP 209 CO -0.16 0.65 -0.42 0.00 -0.00 0.00 0.00 178.44 178.50 3gxf h ALA 210 N 1.45 0.87 0.00 2.65 0.00 -0.80 -3.04 119.26 120.40 3gxf h ALA 210 Ca 0.24 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3gxf h ALA 210 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3gxf h ALA 210 CO -0.04 0.64 -0.33 0.00 0.00 0.00 0.00 179.25 179.52 3gxf h ARG 211 N 0.42 0.00 -0.92 0.00 3.08 -0.41 -2.94 114.38 113.61 3gxf h ARG 211 Ca 0.03 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.10 3gxf h ARG 211 Cb 0.91 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.91 3gxf h ARG 211 CO 0.08 0.33 0.61 -0.92 -1.07 0.00 0.00 179.97 179.00 3gxf h TYR 212 N 0.00 1.15 -0.58 3.04 3.20 -1.16 0.24 116.97 122.86 3gxf h TYR 212 Ca -0.00 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.95 3gxf h TYR 212 Cb 0.67 -0.39 -0.05 0.00 1.54 0.00 0.00 36.73 38.50 3gxf h TYR 212 CO 0.00 0.70 0.29 0.74 -1.64 0.00 0.00 178.16 178.26 3gxf h PHE 213 N 1.22 0.54 -0.30 -3.82 -1.00 -1.51 0.11 116.94 112.17 3gxf h PHE 213 Ca 0.35 0.02 -0.12 0.00 2.81 0.00 0.00 57.97 61.03 3gxf h PHE 213 Cb -0.10 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.30 3gxf h PHE 213 CO -0.01 0.25 -0.32 0.28 -1.61 0.00 0.00 178.31 176.90 3gxf h VAL 214 N 0.56 1.28 -0.40 -0.55 2.07 -1.33 -1.50 116.25 116.38 3gxf h VAL 214 Ca 0.26 -1.45 -0.11 0.00 0.82 0.00 0.00 66.70 66.23 3gxf h VAL 214 Cb 0.19 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3gxf h VAL 214 CO -0.19 0.47 -0.19 0.11 0.02 0.00 0.00 177.57 177.79 3gxf h LYS 215 N 0.55 0.76 -0.19 1.57 1.79 -0.27 -0.52 116.57 120.26 3gxf h LYS 215 Ca 0.06 -0.29 0.04 0.00 -2.18 0.00 0.00 60.65 58.28 3gxf h LYS 215 Cb 0.82 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.39 3gxf h LYS 215 CO 0.07 0.90 -0.03 0.35 -1.08 0.00 0.00 179.45 179.66 3gxf h PHE 216 N 0.67 -0.07 -0.68 -1.35 3.57 -0.45 -2.13 116.94 116.49 3gxf h PHE 216 Ca 0.10 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 3gxf h PHE 216 Cb 0.69 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 3gxf h PHE 216 CO 0.04 -0.06 0.22 -0.07 -2.23 0.00 0.00 178.31 176.20 3gxf h LEU 217 N 0.02 0.99 -0.84 0.59 3.38 -1.10 -1.20 115.31 117.14 3gxf h LEU 217 Ca 0.09 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.93 3gxf h LEU 217 Cb 0.13 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 3gxf h LEU 217 CO -0.18 0.93 0.51 0.44 0.09 0.00 0.00 178.44 180.23 3gxf h ASP 218 N 1.00 0.77 -0.02 -0.43 3.32 -0.98 0.12 116.42 120.19 3gxf h ASP 218 Ca 0.22 0.03 -0.18 0.00 0.02 0.00 0.00 57.03 57.12 3gxf h ASP 218 Cb 0.29 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.73 3gxf h ASP 218 CO -0.01 0.47 -0.70 0.00 -1.72 0.00 0.00 179.24 177.28 3gxf h ALA 219 N 1.43 0.11 -0.65 3.45 0.00 -0.89 -1.21 119.26 121.50 3gxf h ALA 219 Ca 0.38 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3gxf h ALA 219 Cb 0.25 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3gxf h ALA 219 CO -0.20 0.45 0.13 1.88 0.00 0.00 0.00 179.25 181.51 3gxf h TYR 220 N 0.07 1.10 -0.39 0.00 -1.99 -1.13 -3.05 116.97 111.59 3gxf h TYR 220 Ca -0.08 -0.13 0.04 0.00 2.00 0.00 0.00 58.73 60.56 3gxf h TYR 220 Cb 1.39 -0.31 -0.04 0.00 2.00 0.00 0.00 36.73 39.76 3gxf h TYR 220 CO 0.13 0.91 0.14 0.00 -0.00 0.00 0.00 178.16 179.35 3gxf h ALA 221 N 1.15 0.46 -1.12 3.88 0.00 -0.56 -1.07 119.26 122.00 3gxf h ALA 221 Ca 0.20 0.04 0.32 0.00 0.00 0.00 0.00 54.91 55.48 3gxf h ALA 221 Cb 0.39 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3gxf h ALA 221 CO 0.01 -0.24 0.80 0.93 0.00 0.00 0.00 179.25 180.74 3gxf h GLU 222 N 0.31 0.03 -0.80 0.00 5.08 -1.11 0.45 114.58 118.53 3gxf h GLU 222 Ca 0.18 -0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.29 3gxf h GLU 222 Cb 0.15 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.24 3gxf h GLU 222 CO -0.17 0.02 0.31 0.72 -1.00 0.00 0.00 179.01 178.89 3gxf n HIS 223 N -4.23 2.47 -2.31 4.33 8.25 -0.52 -4.95 115.22 118.27 3gxf n HIS 223 Ca 0.24 -1.24 -0.21 0.00 -0.26 0.00 0.00 57.72 56.25 3gxf n HIS 223 Cb 1.16 -0.71 -0.02 0.00 1.12 0.00 0.00 29.99 31.55 3gxf n HIS 223 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gxf n LYS 224 N -0.24 -1.63 -4.71 -0.41 5.02 0.16 -4.98 118.16 111.36 3gxf n LYS 224 Ca 0.42 1.03 -0.33 0.00 -2.02 0.00 0.00 58.31 57.41 3gxf n LYS 224 Cb 1.39 -5.65 -0.16 0.00 -0.02 0.00 0.00 35.03 30.60 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 -5.82 2.33 -0.01 -0.35 1.43 -0.55 -4.99 118.68 110.73 3gxf s LEU 225 Ca 0.00 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 3gxf s LEU 225 Cb 0.00 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 3gxf s LEU 225 CO 0.00 0.11 -0.04 -1.58 0.23 0.00 0.00 176.35 175.06 3gxf s GLN 226 N 0.68 2.68 -0.03 1.70 0.74 -1.26 -2.75 119.66 121.42 3gxf s GLN 226 Ca -0.09 -0.64 -0.03 0.00 0.05 0.00 0.00 55.36 54.65 3gxf s GLN 226 Cb -0.16 -2.59 -0.04 0.00 1.10 0.00 0.00 33.01 31.32 3gxf s GLN 226 CO 0.02 0.62 0.16 -0.06 -0.55 0.00 0.00 175.29 175.48 3gxf s PHE 227 N -1.00 3.54 -0.11 1.67 0.40 -1.26 -4.38 117.98 116.83 3gxf s PHE 227 Ca 0.17 0.38 -0.24 0.00 -0.60 0.00 0.00 56.93 56.64 3gxf s PHE 227 Cb -0.11 -1.84 -0.27 0.00 0.51 0.00 0.00 43.02 41.30 3gxf s PHE 227 CO 0.07 0.66 0.71 2.35 0.70 0.00 0.00 175.22 179.71 3gxf h TRP 228 N 4.08 0.23 -3.26 0.36 7.01 -0.58 -3.42 115.95 120.37 3gxf h TRP 228 Ca -0.50 -0.17 -0.08 0.00 2.11 0.00 0.00 58.89 60.25 3gxf h TRP 228 Cb 1.20 -0.01 -0.16 0.00 -2.10 0.00 0.00 29.16 28.09 3gxf h TRP 228 CO 0.68 1.24 -0.18 0.00 -2.79 0.00 0.00 178.44 177.39 3gxf s ALA 229 N -2.34 -0.80 0.07 2.65 0.00 -1.06 -1.28 121.76 119.00 3gxf s ALA 229 Ca -0.19 0.06 0.09 0.00 0.00 0.00 0.00 51.96 51.92 3gxf s ALA 229 Cb 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 3gxf s ALA 229 CO 0.73 -0.47 -0.25 0.14 0.00 0.00 0.00 175.76 175.92 3gxf s VAL 230 N -2.80 2.03 0.28 0.00 -7.23 0.44 -1.51 120.40 111.60 3gxf s VAL 230 Ca -0.03 -1.44 -0.08 0.00 -1.81 0.00 0.00 61.98 58.62 3gxf s VAL 230 Cb -0.00 -1.76 -0.06 0.00 0.56 0.00 0.00 36.38 35.12 3gxf s VAL 230 CO -0.05 0.24 0.59 0.42 -0.31 0.00 0.00 175.10 175.99 3gxf s THR 231 N -0.88 4.94 -0.05 5.32 -4.23 -0.25 -0.86 115.64 119.63 3gxf s THR 231 Ca 0.11 0.33 0.29 0.00 -1.18 0.00 0.00 61.69 61.24 3gxf s THR 231 Cb -0.10 -3.68 0.30 0.00 1.34 0.00 0.00 72.50 70.36 3gxf s THR 231 CO 0.03 -0.24 1.88 0.00 -0.54 0.00 0.00 174.62 175.75 3gxf h ALA 232 N 2.00 1.00 0.00 3.99 0.00 -1.53 -3.42 119.26 121.30 3gxf h ALA 232 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3gxf h ALA 232 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3gxf h ALA 232 CO 0.67 0.00 0.00 -1.91 0.00 0.00 0.00 179.25 178.01 3gxf n GLU 233 N -2.55 0.00 -2.42 0.00 4.07 -1.26 -4.96 120.64 113.51 3gxf n GLU 233 Ca -0.01 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.67 3gxf n GLU 233 Cb 0.14 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.49 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 7.02 -0.90 4.31 2.47 0.11 -4.29 114.94 123.66 3gxf s ASN 234 Ca 0.00 1.86 -0.10 0.00 0.42 0.00 0.00 52.86 55.04 3gxf s ASN 234 Cb 0.00 -2.56 0.01 0.00 -1.45 0.00 0.00 41.25 37.25 3gxf s ASN 234 CO 0.00 -0.60 0.59 -0.62 -3.72 0.00 0.00 177.10 172.75 3gxf n GLU 235 N 5.18 -1.11 0.08 0.43 1.02 0.12 -4.72 120.64 121.63 3gxf n GLU 235 Ca 0.11 0.50 0.18 0.00 -0.02 0.00 0.00 57.16 57.93 3gxf n GLU 235 Cb 0.46 -2.15 0.70 0.00 -0.02 0.00 0.00 31.44 30.43 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 -0.88 0.00 0.00 3.49 0.13 -1.77 -1.92 132.00 131.05 3gxf h PRO 236 Ca -0.64 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.43 3gxf h PRO 236 Cb 1.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 3gxf h PRO 236 CO 0.39 0.00 -0.31 0.66 -0.23 0.00 0.00 178.00 178.51 3gxf h SER 237 N 0.00 0.00 0.08 1.44 4.64 -1.86 -0.02 113.55 117.83 3gxf h SER 237 Ca 0.18 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.48 3gxf h SER 237 Cb 0.77 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3gxf h SER 237 CO -0.00 0.31 -0.09 0.00 -0.87 0.00 0.00 176.83 176.18 3gxf h ALA 238 N 1.69 1.82 0.00 5.18 0.00 -1.69 -2.52 119.26 123.74 3gxf h ALA 238 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3gxf h ALA 238 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3gxf h ALA 238 CO 0.04 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.84 3gxf n GLY 239 N -1.24 -0.87 0.48 0.00 0.00 -1.16 -2.57 105.19 99.83 3gxf n GLY 239 Ca -0.02 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.21 1.70 -4.58 0.99 4.77 -0.95 -0.79 117.00 116.93 3gxf n LEU 240 Ca 0.11 -0.56 -0.34 0.00 -0.03 0.00 0.00 56.01 55.19 3gxf n LEU 240 Cb 0.14 -0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.08 3gxf n LEU 240 CO 0.14 0.30 -0.32 -0.76 -1.33 0.00 0.00 177.39 175.42 3gxf s LEU 241 N -2.27 3.44 0.21 2.23 1.43 -1.06 -4.96 118.68 117.69 3gxf s LEU 241 Ca 0.27 -0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 53.07 3gxf s LEU 241 Cb 0.20 -1.82 -0.08 0.00 0.03 0.00 0.00 46.19 44.51 3gxf s LEU 241 CO 0.44 0.24 1.21 -0.55 0.23 0.00 0.00 176.35 177.92 3gxf s SER 242 N -0.05 7.06 -1.69 2.29 0.15 -1.26 -2.66 113.70 117.54 3gxf s SER 242 Ca 0.03 2.29 0.00 0.00 0.70 0.00 0.00 55.95 58.97 3gxf s SER 242 Cb -0.13 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 3gxf s SER 242 CO 0.02 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.69 3gxf n GLY 243 N 2.01 1.53 3.71 9.45 0.00 -1.26 -4.87 105.19 115.76 3gxf n GLY 243 Ca 0.04 -0.04 -0.56 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.34 2.09 0.03 1.61 9.36 -1.09 -4.75 117.16 122.09 3gxf n TYR 244 Ca -0.16 0.45 -0.04 0.00 3.32 0.00 0.00 57.90 61.47 3gxf n TYR 244 Cb 0.62 -2.49 0.17 0.00 -0.63 0.00 0.00 39.34 37.01 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 7.50 0.43 0.00 2.98 0.13 -1.93 0.15 132.00 141.25 3gxf h PRO 245 Ca -0.47 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 3gxf h PRO 245 Cb 1.31 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3gxf h PRO 245 CO 0.96 0.73 0.00 1.97 -0.23 0.00 0.00 178.00 181.43 3gxf n PHE 246 N -4.05 0.00 -1.69 1.56 1.16 -1.26 -4.86 117.46 108.31 3gxf n PHE 246 Ca -0.01 0.00 -0.44 0.00 -1.87 0.00 0.00 57.45 55.13 3gxf n PHE 246 Cb 0.47 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.31 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 2.58 -3.58 3.97 3.00 -1.26 -4.36 117.38 117.73 3gxf n GLN 247 Ca 0.00 0.93 -0.10 0.00 -0.01 0.00 0.00 57.00 57.82 3gxf n GLN 247 Cb 0.00 -2.78 -0.02 0.00 0.00 0.00 0.00 30.24 27.44 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 -2.81 -0.62 0.14 0.00 2.96 -0.90 -4.45 118.68 113.01 3gxf s LEU 249 Ca 0.05 0.16 -0.30 0.00 -0.22 0.00 0.00 54.13 53.82 3gxf s LEU 249 Cb -0.03 1.08 -0.07 0.00 0.50 0.00 0.00 46.19 47.67 3gxf s LEU 249 CO -0.06 -0.31 1.24 -0.83 -1.32 0.00 0.00 176.35 175.08 3gxf s GLY 250 N 2.54 2.46 -0.01 7.98 0.00 -0.58 -4.53 107.32 115.17 3gxf s GLY 250 Ca 0.12 0.97 0.00 0.00 0.00 0.00 0.00 44.72 45.82 3gxf s GLY 250 CO -0.17 2.01 -0.00 -1.36 0.00 0.00 0.00 173.10 173.58 3gxf s PHE 251 N 0.46 0.19 0.71 1.90 0.40 -0.03 -4.42 117.98 117.20 3gxf s PHE 251 Ca 0.57 0.01 -0.11 0.00 -0.60 0.00 0.00 56.93 56.79 3gxf s PHE 251 Cb -0.33 -0.23 0.02 0.00 0.51 0.00 0.00 43.02 42.99 3gxf s PHE 251 CO 0.34 -0.06 1.07 0.95 0.70 0.00 0.00 175.22 178.22 3gxf s THR 252 N 0.49 3.75 0.38 0.64 -4.23 -1.26 -4.11 115.64 111.30 3gxf s THR 252 Ca -0.05 0.57 0.12 0.00 -1.18 0.00 0.00 61.69 61.15 3gxf s THR 252 Cb -0.07 -3.41 0.34 0.00 1.34 0.00 0.00 72.50 70.69 3gxf s THR 252 CO -0.01 -0.74 1.88 1.55 -0.54 0.00 0.00 174.62 176.76 3gxf h PRO 253 N -0.74 0.57 -0.20 3.99 0.13 -1.98 0.17 132.00 133.93 3gxf h PRO 253 Ca -0.45 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 3gxf h PRO 253 Cb 1.23 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3gxf h PRO 253 CO 0.60 0.37 -0.04 0.93 -0.23 0.00 0.00 178.00 179.64 3gxf h GLU 254 N 0.58 0.38 -0.62 0.86 3.07 -1.92 -0.77 114.58 116.15 3gxf h GLU 254 Ca 0.43 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.36 59.14 3gxf h GLU 254 Cb 0.80 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.66 3gxf h GLU 254 CO -0.18 0.62 0.36 1.25 -1.40 0.00 0.00 179.01 179.66 3gxf h HIS 255 N 0.10 0.83 0.09 4.33 2.76 -1.82 -1.31 115.15 120.14 3gxf h HIS 255 Ca 0.05 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.23 3gxf h HIS 255 Cb 0.48 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 29.14 3gxf h HIS 255 CO 0.05 0.58 -0.20 0.37 -1.30 0.00 0.00 177.93 177.43 3gxf h GLN 256 N 0.84 -0.36 -0.53 5.26 4.15 -0.51 0.72 115.11 124.68 3gxf h GLN 256 Ca 0.22 0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.77 3gxf h GLN 256 Cb 0.00 0.08 -0.08 0.00 0.21 0.00 0.00 27.48 27.69 3gxf h GLN 256 CO -0.04 -0.24 0.04 -0.09 -1.93 0.00 0.00 178.83 176.58 3gxf h ARG 257 N -0.37 0.16 -0.21 1.69 2.43 -1.02 -0.10 114.38 116.96 3gxf h ARG 257 Ca 0.03 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.00 3gxf h ARG 257 Cb 0.40 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3gxf h ARG 257 CO -0.12 0.11 -0.64 -0.44 -1.51 0.00 0.00 179.97 177.36 3gxf h ASP 258 N 0.16 0.86 -0.82 -3.80 3.32 -1.02 -0.33 116.42 114.79 3gxf h ASP 258 Ca 0.27 -0.51 -0.02 0.00 0.02 0.00 0.00 57.03 56.80 3gxf h ASP 258 Cb 0.41 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 3gxf h ASP 258 CO -0.41 1.29 0.44 0.15 -1.72 0.00 0.00 179.24 178.99 3gxf h PHE 259 N 0.55 1.14 -0.14 4.55 3.57 -0.60 0.11 116.94 126.12 3gxf h PHE 259 Ca -0.01 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 3gxf h PHE 259 Cb 1.25 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 3gxf h PHE 259 CO 0.07 0.80 0.07 0.82 -2.23 0.00 0.00 178.31 177.84 3gxf h ILE 260 N 1.15 1.13 0.00 1.41 2.04 -0.87 0.85 117.51 123.23 3gxf h ILE 260 Ca 0.29 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 3gxf h ILE 260 Cb 0.05 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3gxf h ILE 260 CO -0.04 0.12 -0.00 0.00 0.00 0.00 0.00 178.15 178.22 3gxf h ALA 261 N 0.93 -0.00 0.10 1.87 0.00 -1.00 0.84 119.26 121.99 3gxf h ALA 261 Ca 0.05 -0.13 -0.26 0.00 0.00 0.00 0.00 54.91 54.58 3gxf h ALA 261 Cb 0.13 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.94 3gxf h ALA 261 CO -0.01 -0.38 -1.06 0.00 0.00 0.00 0.00 179.25 177.80 3gxf h ARG 262 N -0.25 0.55 0.00 0.00 2.47 -0.85 -3.41 114.38 112.88 3gxf h ARG 262 Ca -0.00 -0.72 0.00 0.00 -1.26 0.00 0.00 59.98 58.00 3gxf h ARG 262 Cb 0.25 0.24 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 3gxf h ARG 262 CO 0.00 1.31 -0.00 -0.25 0.56 0.00 0.00 179.97 181.59 3gxf n ASP 263 N -3.92 0.18 -0.11 7.04 8.00 -0.40 -4.66 116.55 122.67 3gxf n ASP 263 Ca -0.13 0.02 -0.12 0.00 0.71 0.00 0.00 54.79 55.27 3gxf n ASP 263 Cb 0.90 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.91 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 0.73 0.72 0.64 5.85 -0.97 -1.07 115.31 121.21 3gxf h LEU 264 Ca 0.00 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 3gxf h LEU 264 Cb 0.00 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3gxf h LEU 264 CO 0.00 0.98 -0.48 1.23 -0.34 0.00 0.00 178.44 179.83 3gxf h GLY 265 N 0.49 -1.31 0.77 3.75 0.00 -1.03 -0.74 103.07 105.00 3gxf h GLY 265 Ca 0.08 0.55 0.07 0.00 0.00 0.00 0.00 47.33 48.02 3gxf h GLY 265 CO 0.05 -0.43 0.63 -2.55 0.00 0.00 0.00 176.54 174.24 3gxf h PRO 266 N -1.14 1.09 -0.47 4.80 0.11 -1.73 -0.58 132.00 134.08 3gxf h PRO 266 Ca -0.10 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 65.82 3gxf h PRO 266 Cb 0.92 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 3gxf h PRO 266 CO 0.08 0.72 -0.21 1.15 -0.21 0.00 0.00 178.00 179.53 3gxf h THR 267 N 1.12 1.27 -0.27 -1.15 2.02 -1.12 -0.19 112.91 114.59 3gxf h THR 267 Ca 0.42 -1.37 -0.19 0.00 0.77 0.00 0.00 66.41 66.04 3gxf h THR 267 Cb 0.19 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3gxf h THR 267 CO -0.17 0.47 -0.56 -0.07 0.37 0.00 0.00 175.52 175.56 3gxf h LEU 268 N 0.83 0.96 -0.51 2.58 3.38 -0.91 -3.21 115.31 118.43 3gxf h LEU 268 Ca 0.11 -0.54 0.07 0.00 0.09 0.00 0.00 57.88 57.61 3gxf h LEU 268 Cb 0.78 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 3gxf h LEU 268 CO 0.06 1.33 0.18 0.00 0.09 0.00 0.00 178.44 180.11 3gxf h ALA 269 N 0.66 0.63 0.00 1.53 0.00 -0.95 -2.59 119.26 118.54 3gxf h ALA 269 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3gxf h ALA 269 Cb 1.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3gxf h ALA 269 CO 0.12 -0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.25 3gxf n ASN 270 N -5.01 0.58 -4.51 0.00 4.13 -0.10 -4.65 115.26 105.71 3gxf n ASN 270 Ca 0.06 -1.75 -0.27 0.00 1.68 0.00 0.00 54.58 54.30 3gxf n ASN 270 Cb 0.21 -0.29 -0.10 0.00 -1.54 0.00 0.00 39.78 38.06 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 -0.46 3.27 0.00 6.41 1.04 -0.98 -5.01 113.70 117.97 3gxf s SER 271 Ca 0.00 -1.48 0.25 0.00 0.48 0.00 0.00 55.95 55.19 3gxf s SER 271 Cb 0.00 0.05 1.16 0.00 0.10 0.00 0.00 66.02 67.33 3gxf s SER 271 CO 0.00 -0.67 1.81 0.35 0.98 0.00 0.00 173.24 175.72 3gxf n THR 272 N -0.93 0.26 -0.90 2.02 -2.24 -1.26 -2.84 114.28 108.38 3gxf n THR 272 Ca -0.07 0.06 0.07 0.00 -2.27 0.00 0.00 64.05 61.84 3gxf n THR 272 Cb 0.67 -0.65 0.41 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.39 2.08 0.29 4.78 8.25 -1.26 -4.57 115.22 123.39 3gxf n HIS 273 Ca 0.09 -0.73 0.17 0.00 -0.26 0.00 0.00 57.72 57.00 3gxf n HIS 273 Cb 0.24 -0.51 0.92 0.00 1.12 0.00 0.00 29.99 31.77 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 4.03 0.00 0.00 4.41 -0.00 -1.47 0.78 115.15 122.90 3gxf h HIS 274 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3gxf h HIS 274 Cb 1.97 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.38 3gxf h HIS 274 CO 1.09 0.00 -0.21 0.09 -0.00 0.00 0.00 177.93 178.90 3gxf n ASN 275 N -2.77 0.55 -4.71 3.10 3.02 -1.26 -4.80 115.26 108.38 3gxf n ASN 275 Ca -0.02 0.35 -0.42 0.00 -0.03 0.00 0.00 54.58 54.45 3gxf n ASN 275 Cb 0.15 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 38.93 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 -3.08 2.66 0.46 2.41 1.01 0.27 -4.98 120.40 119.15 3gxf s VAL 276 Ca 0.10 0.44 -0.15 0.00 0.00 0.00 0.00 61.98 62.37 3gxf s VAL 276 Cb 0.15 -3.28 -0.08 0.00 0.00 0.00 0.00 36.38 33.17 3gxf s VAL 276 CO 0.62 0.03 0.90 -0.13 0.00 0.00 0.00 175.10 176.52 3gxf s ARG 277 N 1.35 3.90 -0.16 2.72 1.81 -0.40 -4.89 118.95 123.28 3gxf s ARG 277 Ca 0.71 0.78 -0.01 0.00 -1.72 0.00 0.00 55.73 55.49 3gxf s ARG 277 Cb -0.43 -2.24 -0.01 0.00 -0.45 0.00 0.00 34.95 31.82 3gxf s ARG 277 CO 0.31 -0.16 -0.11 -1.17 -0.68 0.00 0.00 175.30 173.49 3gxf s LEU 278 N -3.91 2.74 -0.13 2.53 2.96 -1.26 -0.42 118.68 121.19 3gxf s LEU 278 Ca 0.56 -0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 54.11 3gxf s LEU 278 Cb -0.10 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 3gxf s LEU 278 CO 0.30 0.11 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.55 3gxf s LEU 279 N 0.70 2.72 0.79 -0.68 1.43 -0.04 -1.28 118.68 122.32 3gxf s LEU 279 Ca -0.05 -0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 52.69 3gxf s LEU 279 Cb -0.15 -1.61 0.16 0.00 0.03 0.00 0.00 46.19 44.61 3gxf s LEU 279 CO 0.02 0.17 1.08 0.00 0.23 0.00 0.00 176.35 177.85 3gxf s MET 280 N 0.31 1.35 1.91 1.70 0.23 -0.49 -1.31 119.30 123.01 3gxf s MET 280 Ca -0.10 -1.08 0.00 0.00 -1.03 0.00 0.00 55.69 53.48 3gxf s MET 280 Cb -0.16 -2.23 0.00 0.00 -1.53 0.00 0.00 34.83 30.91 3gxf s MET 280 CO 0.06 -1.73 0.00 -0.11 -2.03 0.00 0.00 175.02 171.21 3gxf n LEU 281 N -3.06 0.00 -3.56 0.18 7.94 -1.26 -1.25 117.00 115.99 3gxf n LEU 281 Ca 0.16 0.00 -0.20 0.00 -1.11 0.00 0.00 56.01 54.86 3gxf n LEU 281 Cb 0.60 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.62 3gxf n LEU 281 CO 0.42 0.00 0.10 -0.67 -1.11 0.00 0.00 177.39 176.13 3gxf n ASP 282 N 4.48 -2.94 -2.12 1.96 2.03 0.99 -4.36 116.55 116.59 3gxf n ASP 282 Ca 0.00 -0.66 -0.06 0.00 0.52 0.00 0.00 54.79 54.59 3gxf n ASP 282 Cb 0.00 -4.78 0.01 0.00 -0.72 0.00 0.00 41.12 35.63 3gxf n ASP 282 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3gxf n ASP 283 N -3.07 -1.28 -4.77 1.67 -0.08 -1.18 0.11 116.55 107.95 3gxf n ASP 283 Ca -0.21 -2.02 -0.39 0.00 -1.51 0.00 0.00 54.79 50.66 3gxf n ASP 283 Cb 0.64 2.17 -0.01 0.00 2.34 0.00 0.00 41.12 46.25 3gxf n ASP 283 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 3gxf s GLN 284 N -2.16 4.08 0.02 -0.67 -1.52 -1.26 -0.76 119.66 117.40 3gxf s GLN 284 Ca 0.12 2.06 0.19 0.00 -1.95 0.00 0.00 55.36 55.78 3gxf s GLN 284 Cb -0.02 -2.81 0.82 0.00 -0.22 0.00 0.00 33.01 30.78 3gxf s GLN 284 CO 0.09 -0.36 1.62 2.89 -0.25 0.00 0.00 175.29 179.27 3gxf n ARG 285 N 0.27 0.02 -0.28 2.91 1.85 -1.24 -2.05 116.66 118.14 3gxf n ARG 285 Ca 0.03 0.20 -0.01 0.00 -1.00 0.00 0.00 57.85 57.07 3gxf n ARG 285 Cb 0.44 -1.54 0.12 0.00 -1.05 0.00 0.00 32.46 30.43 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 0.76 0.00 2.89 -0.00 -1.91 -0.68 115.31 116.37 3gxf h LEU 286 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 3gxf h LEU 286 Cb 0.34 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.85 3gxf h LEU 286 CO 0.00 0.50 0.03 0.18 -0.00 0.00 0.00 178.44 179.15 3gxf n LEU 287 N -4.66 0.00 -4.79 0.17 4.77 -0.87 -4.61 117.00 107.02 3gxf n LEU 287 Ca 0.10 0.18 -0.31 0.00 -0.03 0.00 0.00 56.01 55.96 3gxf n LEU 287 Cb 0.15 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 40.99 3gxf n LEU 287 CO 0.31 -0.18 -0.25 -0.76 -1.33 0.00 0.00 177.39 175.18 3gxf s LEU 288 N -2.28 3.88 0.00 2.23 1.43 -0.26 -1.37 118.68 122.30 3gxf s LEU 288 Ca 0.00 0.05 0.29 0.00 -1.03 0.00 0.00 54.13 53.44 3gxf s LEU 288 Cb 0.00 -2.50 1.34 0.00 0.03 0.00 0.00 46.19 45.05 3gxf s LEU 288 CO 0.00 0.19 1.95 -0.81 0.23 0.00 0.00 176.35 177.91 3gxf n PRO 289 N 0.56 0.31 -0.07 1.29 -0.04 -1.26 -4.56 135.00 131.23 3gxf n PRO 289 Ca -0.09 -0.03 -0.08 0.00 -0.04 0.00 0.00 63.50 63.25 3gxf n PRO 289 Cb 0.52 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.09 -0.83 -0.94 0.54 2.76 -1.89 0.37 115.15 115.25 3gxf h HIS 290 Ca 0.00 0.05 0.17 0.00 -2.20 0.00 0.00 60.37 58.38 3gxf h HIS 290 Cb 0.37 0.41 -0.10 0.00 1.55 0.00 0.00 27.41 29.64 3gxf h HIS 290 CO 0.00 -0.37 0.53 -1.49 -1.30 0.00 0.00 177.93 175.30 3gxf h TRP 291 N -0.28 0.94 -0.26 5.26 4.06 -1.59 -0.63 115.95 123.44 3gxf h TRP 291 Ca 0.15 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 61.11 3gxf h TRP 291 Cb 0.52 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.39 3gxf h TRP 291 CO -0.47 0.23 0.10 0.00 -3.56 0.00 0.00 178.44 174.73 3gxf h ALA 292 N 1.60 0.34 0.30 1.49 0.00 -1.26 -2.22 119.26 119.50 3gxf h ALA 292 Ca 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 3gxf h ALA 292 Cb 0.76 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3gxf h ALA 292 CO -0.37 -0.06 -0.18 0.87 0.00 0.00 0.00 179.25 179.51 3gxf h LYS 293 N 0.27 -0.45 -0.82 0.00 1.57 -0.34 0.47 116.57 117.27 3gxf h LYS 293 Ca 0.09 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 59.06 3gxf h LYS 293 Cb 0.19 0.10 -0.10 0.00 0.08 0.00 0.00 32.23 32.50 3gxf h LYS 293 CO -0.01 -0.30 0.36 0.28 -0.57 0.00 0.00 179.45 179.21 3gxf h VAL 294 N -0.47 0.62 0.00 0.50 2.07 -1.16 -2.66 116.25 115.16 3gxf h VAL 294 Ca -0.03 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3gxf h VAL 294 Cb 0.39 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3gxf h VAL 294 CO 0.03 0.09 -0.17 0.58 0.02 0.00 0.00 177.57 178.12 3gxf h VAL 295 N 0.47 1.28 0.00 2.57 2.07 -1.32 -3.41 116.25 117.92 3gxf h VAL 295 Ca 0.47 -2.02 0.00 0.00 0.82 0.00 0.00 66.70 65.97 3gxf h VAL 295 Cb 0.75 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 3gxf h VAL 295 CO -0.43 0.43 -0.01 -0.07 0.02 0.00 0.00 177.57 177.51 3gxf h LEU 296 N -1.00 0.00 0.00 2.57 3.38 -0.91 -2.76 115.31 116.59 3gxf h LEU 296 Ca -0.04 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3gxf h LEU 296 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3gxf h LEU 296 CO -0.02 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.86 3gxf n THR 297 N -2.70 0.02 -3.18 0.22 -2.24 -1.00 -4.52 114.28 100.87 3gxf n THR 297 Ca 0.05 0.01 -0.45 0.00 -2.27 0.00 0.00 64.05 61.38 3gxf n THR 297 Cb 0.48 -0.52 -0.05 0.00 -2.10 0.00 0.00 70.33 68.15 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 -2.41 6.19 0.58 3.42 -1.08 -1.04 -4.95 116.67 117.37 3gxf s ASP 298 Ca 0.33 -1.42 0.29 0.00 -0.52 0.00 0.00 52.55 51.23 3gxf s ASP 298 Cb 0.20 -2.27 1.47 0.00 -1.46 0.00 0.00 42.92 40.86 3gxf s ASP 298 CO 0.43 -0.99 1.90 1.55 0.52 0.00 0.00 175.17 178.58 3gxf h PRO 299 N 9.06 0.00 -0.05 4.34 0.13 -1.86 0.51 132.00 144.13 3gxf h PRO 299 Ca -0.29 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.67 3gxf h PRO 299 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3gxf h PRO 299 CO 1.05 0.00 -0.69 0.93 -0.23 0.00 0.00 178.00 179.06 3gxf h GLU 300 N 0.00 0.26 0.06 0.86 4.39 -1.93 -2.44 114.58 115.78 3gxf h GLU 300 Ca 0.26 -0.21 -0.13 0.00 0.34 0.00 0.00 59.36 59.62 3gxf h GLU 300 Cb 1.27 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.98 3gxf h GLU 300 CO -0.00 0.85 -0.54 0.00 -1.16 0.00 0.00 179.01 178.16 3gxf h ALA 301 N 1.09 -0.01 -0.63 3.43 0.00 -1.44 -3.39 119.26 118.30 3gxf h ALA 301 Ca -0.02 -0.59 0.10 0.00 0.00 0.00 0.00 54.91 54.40 3gxf h ALA 301 Cb 1.24 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 3gxf h ALA 301 CO 0.11 0.26 0.24 0.00 0.00 0.00 0.00 179.25 179.86 3gxf h ALA 302 N 0.17 0.83 -0.01 0.00 0.00 -0.97 -0.75 119.26 118.53 3gxf h ALA 302 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gxf h ALA 302 Cb 1.34 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 3gxf h ALA 302 CO 0.10 -0.19 0.21 1.57 0.00 0.00 0.00 179.25 180.94 3gxf h LYS 303 N 0.42 0.00 0.00 0.00 2.10 -1.63 -2.35 116.57 115.10 3gxf h LYS 303 Ca 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 3gxf h LYS 303 Cb 0.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 3gxf h LYS 303 CO -0.32 0.00 -1.49 0.66 -2.00 0.00 0.00 179.45 176.29 3gxf n TYR 304 N -2.99 0.05 -3.39 0.07 0.53 -0.30 -4.93 117.16 106.21 3gxf n TYR 304 Ca -0.02 0.02 -0.40 0.00 -1.02 0.00 0.00 57.90 56.47 3gxf n TYR 304 Cb 0.27 -0.32 -0.09 0.00 -1.03 0.00 0.00 39.34 38.16 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 -3.29 5.16 0.12 -0.72 1.01 -0.89 -4.31 120.40 117.48 3gxf s VAL 305 Ca -0.01 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.25 3gxf s VAL 305 Cb 0.15 -3.80 -0.17 0.00 0.00 0.00 0.00 36.38 32.56 3gxf s VAL 305 CO 0.88 -0.04 1.33 -0.74 0.00 0.00 0.00 175.10 176.53 3gxf h HIS 306 N 8.40 0.00 -2.41 5.22 2.76 -1.49 -3.49 115.15 124.14 3gxf h HIS 306 Ca -0.30 0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.00 3gxf h HIS 306 Cb 1.15 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 30.00 3gxf h HIS 306 CO 0.71 0.92 0.45 0.20 -1.30 0.00 0.00 177.93 178.91 3gxf s GLY 307 N -4.66 -0.33 -0.13 5.26 0.00 -1.10 -3.49 107.32 102.87 3gxf s GLY 307 Ca 0.01 0.43 0.01 0.00 0.00 0.00 0.00 44.72 45.17 3gxf s GLY 307 CO 0.81 0.12 -0.17 -0.42 0.00 0.00 0.00 173.10 173.44 3gxf s ILE 308 N -3.30 2.64 -0.09 0.90 1.01 0.97 -1.39 121.20 121.93 3gxf s ILE 308 Ca 0.09 -0.80 -0.06 0.00 0.00 0.00 0.00 60.65 59.89 3gxf s ILE 308 Cb -0.02 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 3gxf s ILE 308 CO -0.02 0.53 0.14 0.00 0.00 0.00 0.00 174.94 175.58 3gxf s ALA 309 N 0.56 3.84 -0.04 9.38 0.00 -0.38 -1.01 121.76 134.11 3gxf s ALA 309 Ca -0.10 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.21 3gxf s ALA 309 Cb -0.16 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.06 3gxf s ALA 309 CO 0.04 0.64 -0.13 0.14 0.00 0.00 0.00 175.76 176.45 3gxf s VAL 310 N -1.08 1.12 0.28 0.00 -7.23 0.55 -0.01 120.40 114.02 3gxf s VAL 310 Ca 0.17 -0.54 -0.01 0.00 -1.81 0.00 0.00 61.98 59.79 3gxf s VAL 310 Cb -0.12 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.80 3gxf s VAL 310 CO 0.07 0.33 0.49 -1.00 -0.31 0.00 0.00 175.10 174.68 3gxf s HIS 311 N 0.15 3.49 -0.30 2.82 3.76 0.06 -1.45 115.29 123.82 3gxf s HIS 311 Ca -0.04 0.41 0.22 0.00 -0.15 0.00 0.00 55.06 55.50 3gxf s HIS 311 Cb -0.10 -1.92 -0.09 0.00 1.11 0.00 0.00 32.58 31.57 3gxf s HIS 311 CO 0.01 0.24 0.87 -2.67 -0.85 0.00 0.00 174.74 172.34 3gxf n TRP 312 N -1.14 0.45 0.32 1.40 4.27 -0.81 -3.64 117.44 118.30 3gxf n TRP 312 Ca -0.04 0.13 0.11 0.00 -3.89 0.00 0.00 57.50 53.81 3gxf n TRP 312 Cb 0.55 -0.65 0.60 0.00 -1.36 0.00 0.00 31.31 30.45 3gxf n TRP 312 CO 0.00 0.00 0.00 1.88 -2.29 0.00 0.00 177.69 177.28 3gxf h TYR 313 N 0.00 0.00 0.00 -2.67 -1.99 -1.91 0.26 116.97 110.65 3gxf h TYR 313 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3gxf h TYR 313 Cb 0.91 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.64 3gxf h TYR 313 CO 0.00 0.00 -0.09 1.28 -0.00 0.00 0.00 178.16 179.35 3gxf n LEU 314 N -2.74 1.45 -0.30 3.88 4.77 -1.26 -4.72 117.00 118.09 3gxf n LEU 314 Ca -0.01 -1.91 0.11 0.00 -0.03 0.00 0.00 56.01 54.17 3gxf n LEU 314 Cb 0.52 -0.16 0.26 0.00 -2.33 0.00 0.00 43.42 41.71 3gxf n LEU 314 CO 0.10 0.45 0.89 0.44 -1.33 0.00 0.00 177.39 177.94 3gxf h ASP 315 N 0.00 -0.18 0.85 -1.43 3.32 -0.75 -2.77 116.42 115.45 3gxf h ASP 315 Ca 0.00 0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3gxf h ASP 315 Cb 0.93 0.33 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3gxf h ASP 315 CO 0.00 -0.20 0.00 2.22 -1.72 0.00 0.00 179.24 179.54 3gxf n PHE 316 N -5.31 0.86 1.00 4.55 -1.74 -1.26 -1.48 117.46 114.08 3gxf n PHE 316 Ca 0.20 0.32 0.11 0.00 -0.56 0.00 0.00 57.45 57.52 3gxf n PHE 316 Cb 0.65 -1.02 -0.01 0.00 1.52 0.00 0.00 39.48 40.61 3gxf n PHE 316 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 3gxf n LEU 317 N -2.27 1.90 -3.76 5.98 4.77 -1.06 -4.82 117.00 117.73 3gxf n LEU 317 Ca 0.03 -0.72 -0.30 0.00 -0.03 0.00 0.00 56.01 54.99 3gxf n LEU 317 Cb 0.26 -0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.22 3gxf n LEU 317 CO 0.21 0.36 -0.23 0.00 -1.33 0.00 0.00 177.39 176.41 3gxf s ALA 318 N -2.54 2.41 0.33 -1.18 0.00 -0.55 -5.03 121.76 115.20 3gxf s ALA 318 Ca 0.17 -2.75 -0.28 0.00 0.00 0.00 0.00 51.96 49.10 3gxf s ALA 318 Cb 0.18 -1.95 -0.12 0.00 0.00 0.00 0.00 23.12 21.23 3gxf s ALA 318 CO 0.61 -2.05 1.30 -2.30 0.00 0.00 0.00 175.76 173.32 3gxf n PRO 319 N 3.43 2.13 -0.28 0.00 -0.02 -1.26 -4.75 135.00 134.25 3gxf n PRO 319 Ca 0.08 0.75 0.13 0.00 -2.02 0.00 0.00 63.50 62.44 3gxf n PRO 319 Cb 0.34 -2.34 0.39 0.00 -0.02 0.00 0.00 33.50 31.87 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 2.67 1.87 0.09 3.55 0.00 -1.98 -2.75 119.26 122.72 3gxf h ALA 320 Ca -0.46 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 3gxf h ALA 320 Cb 1.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3gxf h ALA 320 CO 0.63 -0.14 -0.04 -0.22 0.00 0.00 0.00 179.25 179.48 3gxf h LYS 321 N 0.66 -0.12 -0.32 0.00 3.64 -1.95 -0.94 116.57 117.54 3gxf h LYS 321 Ca 0.48 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.94 3gxf h LYS 321 Cb 0.83 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 3gxf h LYS 321 CO -0.23 0.07 0.22 0.00 -2.27 0.00 0.00 179.45 177.25 3gxf h ALA 322 N 0.60 2.19 -1.11 5.00 0.00 -1.86 -0.20 119.26 123.87 3gxf h ALA 322 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gxf h ALA 322 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3gxf h ALA 322 CO 0.02 -0.27 0.00 0.25 0.00 0.00 0.00 179.25 179.25 3gxf n THR 323 N -4.46 0.00 -0.11 0.00 -2.24 -1.16 -4.11 114.28 102.19 3gxf n THR 323 Ca 0.04 0.27 -0.09 0.00 -2.27 0.00 0.00 64.05 62.00 3gxf n THR 323 Cb 0.33 -1.24 -0.01 0.00 -2.10 0.00 0.00 70.33 67.31 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 0.47 0.44 3.22 3.38 -1.36 -0.89 115.31 120.57 3gxf h LEU 324 Ca 0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3gxf h LEU 324 Cb 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3gxf h LEU 324 CO 0.00 0.48 -0.21 1.23 0.09 0.00 0.00 178.44 180.03 3gxf h GLY 325 N 0.43 -0.62 0.75 0.83 0.00 -0.30 -2.25 103.07 101.90 3gxf h GLY 325 Ca 0.12 0.23 0.06 0.00 0.00 0.00 0.00 47.33 47.73 3gxf h GLY 325 CO -0.01 -0.22 0.55 -2.09 0.00 0.00 0.00 176.54 174.76 3gxf h GLU 326 N -0.76 0.98 -0.42 4.80 4.57 -1.12 0.33 114.58 122.96 3gxf h GLU 326 Ca -0.06 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.03 3gxf h GLU 326 Cb 0.53 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 3gxf h GLU 326 CO 0.10 0.65 0.15 1.15 -1.18 0.00 0.00 179.01 179.88 3gxf h THR 327 N 1.01 1.21 -0.35 0.32 2.02 -1.15 -0.65 112.91 115.32 3gxf h THR 327 Ca 0.38 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 3gxf h THR 327 Cb 0.14 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3gxf h THR 327 CO -0.16 0.24 0.17 -0.74 0.37 0.00 0.00 175.52 175.39 3gxf h HIS 328 N 0.54 0.51 -0.67 3.16 -0.00 -1.11 0.16 115.15 117.73 3gxf h HIS 328 Ca 0.14 -0.03 0.14 0.00 -0.00 0.00 0.00 60.37 60.63 3gxf h HIS 328 Cb 0.22 -0.16 -0.12 0.00 -0.00 0.00 0.00 27.41 27.35 3gxf h HIS 328 CO 0.00 0.44 -0.03 -0.09 -0.00 0.00 0.00 177.93 178.25 3gxf h ARG 329 N 0.43 0.08 -0.08 5.26 2.43 -0.52 0.30 114.38 122.29 3gxf h ARG 329 Ca 0.12 -0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.11 3gxf h ARG 329 Cb 0.12 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3gxf h ARG 329 CO -0.01 0.05 -0.71 -0.07 -1.51 0.00 0.00 179.97 177.72 3gxf h LEU 330 N 0.08 0.44 -6.07 3.80 3.38 -0.81 -3.37 115.31 112.75 3gxf h LEU 330 Ca 0.35 -0.28 -0.57 0.00 0.09 0.00 0.00 57.88 57.47 3gxf h LEU 330 Cb 0.58 -0.13 -0.39 0.00 0.09 0.00 0.00 40.66 40.81 3gxf h LEU 330 CO -0.61 1.01 -1.06 0.49 0.09 0.00 0.00 178.44 178.37 3gxf n PHE 331 N -3.84 -0.23 0.06 1.13 3.01 0.53 -4.97 117.46 113.15 3gxf n PHE 331 Ca -0.04 -3.56 0.15 0.00 1.01 0.00 0.00 57.45 55.01 3gxf n PHE 331 Cb 0.70 -0.27 0.64 0.00 -0.01 0.00 0.00 39.48 40.54 3gxf n PHE 331 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3gxf h PRO 332 N 4.26 0.07 -0.62 -1.08 0.13 -0.59 -2.76 132.00 131.42 3gxf h PRO 332 Ca 0.11 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3gxf h PRO 332 Cb 0.87 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3gxf h PRO 332 CO 0.47 0.05 0.00 0.09 -0.23 0.00 0.00 178.00 178.38 3gxf n ASN 333 N -4.44 3.37 -4.15 1.44 3.02 -1.26 -4.72 115.26 108.51 3gxf n ASN 333 Ca 0.06 -2.00 -0.35 0.00 -0.03 0.00 0.00 54.58 52.26 3gxf n ASN 333 Cb 0.41 -0.41 -0.13 0.00 -0.61 0.00 0.00 39.78 39.04 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 -1.18 3.09 0.49 3.41 2.01 -1.04 -5.01 115.64 117.40 3gxf s THR 334 Ca 0.42 -1.71 -0.23 0.00 0.31 0.00 0.00 61.69 60.48 3gxf s THR 334 Cb 0.22 -2.94 -0.07 0.00 0.01 0.00 0.00 72.50 69.71 3gxf s THR 334 CO 0.29 -0.37 1.25 1.15 -0.69 0.00 0.00 174.62 176.24 3gxf n MET 335 N 4.59 1.69 -3.68 4.92 0.00 -1.23 -4.64 117.12 118.77 3gxf n MET 335 Ca -0.08 0.61 -0.37 0.00 0.00 0.00 0.00 57.70 57.87 3gxf n MET 335 Cb 0.43 -2.41 -0.06 0.00 0.00 0.00 0.00 33.22 31.18 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 -2.27 4.41 -0.15 3.17 1.43 -1.26 -0.02 118.68 123.99 3gxf s LEU 336 Ca 0.67 0.71 -0.07 0.00 -1.03 0.00 0.00 54.13 54.41 3gxf s LEU 336 Cb -0.47 -2.50 0.06 0.00 0.03 0.00 0.00 46.19 43.32 3gxf s LEU 336 CO 0.53 0.32 0.34 0.12 0.23 0.00 0.00 176.35 177.89 3gxf s PHE 337 N -1.15 -0.52 -0.35 0.29 5.36 -0.18 -0.45 117.98 120.98 3gxf s PHE 337 Ca 0.23 1.12 -0.27 0.00 -0.96 0.00 0.00 56.93 57.05 3gxf s PHE 337 Cb -0.14 0.16 0.02 0.00 -0.34 0.00 0.00 43.02 42.71 3gxf s PHE 337 CO 0.12 -0.34 1.01 0.00 -1.46 0.00 0.00 175.22 174.55 3gxf s ALA 338 N 1.73 3.44 -1.30 11.12 0.00 -0.97 -0.33 121.76 135.44 3gxf s ALA 338 Ca -0.06 -0.26 0.13 0.00 0.00 0.00 0.00 51.96 51.77 3gxf s ALA 338 Cb -0.10 -3.62 0.03 0.00 0.00 0.00 0.00 23.12 19.42 3gxf s ALA 338 CO -0.11 -1.58 0.78 -1.13 0.00 0.00 0.00 175.76 173.73 3gxf n SER 339 N 6.88 1.59 -3.64 0.00 3.41 -0.53 0.15 113.62 121.48 3gxf n SER 339 Ca 0.10 -1.30 -0.07 0.00 -0.26 0.00 0.00 58.87 57.34 3gxf n SER 339 Cb 0.48 0.34 -0.07 0.00 -0.26 0.00 0.00 64.21 64.69 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 -1.45 0.46 0.03 4.33 2.12 -1.06 -4.65 118.70 118.48 3gxf s GLU 340 Ca 0.12 0.63 -0.14 0.00 0.36 0.00 0.00 54.97 55.94 3gxf s GLU 340 Cb 0.10 0.18 0.02 0.00 0.26 0.00 0.00 34.13 34.70 3gxf s GLU 340 CO 0.27 -0.07 0.31 0.00 -0.54 0.00 0.00 175.26 175.24 3gxf s ALA 341 N 0.65 -0.72 0.21 6.30 0.00 -1.07 -1.92 121.76 125.20 3gxf s ALA 341 Ca -0.01 0.09 -0.22 0.00 0.00 0.00 0.00 51.96 51.82 3gxf s ALA 341 Cb -0.05 0.27 0.05 0.00 0.00 0.00 0.00 23.12 23.39 3gxf s ALA 341 CO -0.10 -0.38 0.65 0.00 0.00 0.00 0.00 175.76 175.92 3gxf s VAL 343 N -3.83 3.07 0.00 0.00 -7.23 -1.26 -4.76 120.40 106.38 3gxf s VAL 343 Ca 0.06 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 3gxf s VAL 343 Cb -0.03 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 34.15 3gxf s VAL 343 CO -0.04 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.04 3gxf n GLY 344 N -0.89 0.85 0.04 2.32 0.00 -1.26 -1.16 105.19 105.08 3gxf n GLY 344 Ca -0.05 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.61 3gxf n GLY 344 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gxf n SER 345 N 0.90 0.64 -0.65 1.61 2.88 -1.26 -4.65 113.62 113.09 3gxf n SER 345 Ca 0.00 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 3gxf n SER 345 Cb 0.05 0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 3gxf n SER 345 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3gxf n LYS 346 N -1.97 2.51 -0.03 -1.46 4.01 -1.26 -5.00 118.16 114.95 3gxf n LYS 346 Ca 0.03 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.79 3gxf n LYS 346 Cb 0.42 0.00 -0.04 0.00 -0.51 0.00 0.00 35.03 34.90 3gxf n LYS 346 CO 0.00 0.00 0.00 1.97 -1.11 0.00 0.00 177.40 178.26 3gxf n PHE 347 N -0.08 0.00 0.00 2.13 1.16 -1.26 -3.18 117.46 116.22 3gxf n PHE 347 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 3gxf n PHE 347 Cb 0.00 -0.30 0.00 0.00 -1.61 0.00 0.00 39.48 37.57 3gxf n PHE 347 CO 0.00 0.00 0.00 1.87 -1.87 0.00 0.00 176.76 176.76 3gxf n TRP 348 N -2.49 0.00 -3.06 2.97 -0.00 -1.26 -4.87 117.44 108.74 3gxf n TRP 348 Ca -0.12 0.00 -0.40 0.00 -0.00 0.00 0.00 57.50 56.98 3gxf n TRP 348 Cb 0.67 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.93 3gxf n TRP 348 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 3gxf s GLU 349 N 0.00 4.35 1.16 5.87 2.02 -1.19 -5.08 118.70 125.83 3gxf s GLU 349 Ca 0.00 0.81 -0.13 0.00 0.02 0.00 0.00 54.97 55.67 3gxf s GLU 349 Cb 0.00 -3.50 0.28 0.00 0.10 0.00 0.00 34.13 31.01 3gxf s GLU 349 CO 0.00 -0.06 1.03 -1.14 0.02 0.00 0.00 175.26 175.11 3gxf s GLN 350 N 1.27 -0.88 -0.04 1.61 0.74 -1.26 -4.70 119.66 116.40 3gxf s GLN 350 Ca 0.35 0.92 -0.03 0.00 0.05 0.00 0.00 55.36 56.65 3gxf s GLN 350 Cb -0.17 -1.55 -0.01 0.00 1.10 0.00 0.00 33.01 32.38 3gxf s GLN 350 CO 0.15 -3.72 -0.05 0.43 -0.55 0.00 0.00 175.29 171.54 3gxf n SER 351 N -4.93 0.43 -4.27 6.67 7.64 -1.26 -4.39 113.62 113.51 3gxf n SER 351 Ca 0.04 0.25 -0.36 0.00 1.01 0.00 0.00 58.87 59.80 3gxf n SER 351 Cb 0.54 -0.58 -0.13 0.00 -1.01 0.00 0.00 64.21 63.03 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 -1.34 3.50 -0.77 0.44 1.01 -1.26 -2.44 120.40 119.54 3gxf s VAL 352 Ca -0.05 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 60.96 3gxf s VAL 352 Cb 0.01 -2.83 0.20 0.00 0.00 0.00 0.00 36.38 33.75 3gxf s VAL 352 CO 0.07 0.07 0.64 -0.13 0.00 0.00 0.00 175.10 175.76 3gxf s ARG 353 N 1.41 3.12 -0.28 2.72 0.52 -1.26 -5.06 118.95 120.12 3gxf s ARG 353 Ca 0.01 -2.68 -0.38 0.00 -0.52 0.00 0.00 55.73 52.15 3gxf s ARG 353 Cb -0.17 -4.04 -0.14 0.00 0.52 0.00 0.00 34.95 31.11 3gxf s ARG 353 CO -0.00 -1.23 1.88 1.28 0.02 0.00 0.00 175.30 177.25 3gxf n LEU 354 N 3.39 2.42 0.00 2.53 4.77 -1.26 -1.46 117.00 127.40 3gxf n LEU 354 Ca 0.13 0.90 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 3gxf n LEU 354 Cb 0.41 -1.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.31 3gxf n LEU 354 CO 0.35 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 3gxf n GLY 355 N 4.90 0.44 3.61 -0.72 0.00 -1.26 -4.34 105.19 107.81 3gxf n GLY 355 Ca 0.30 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 3gxf n GLY 355 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gxf s SER 356 N -2.92 6.17 0.25 1.61 0.15 -0.53 -1.34 113.70 117.07 3gxf s SER 356 Ca 0.00 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.00 3gxf s SER 356 Cb 0.00 -2.53 0.29 0.00 -1.71 0.00 0.00 66.02 62.07 3gxf s SER 356 CO 0.00 -1.48 1.65 -0.25 1.20 0.00 0.00 173.24 174.36 3gxf h TRP 357 N 11.63 0.61 -0.36 3.44 2.91 -1.90 -3.10 115.95 129.19 3gxf h TRP 357 Ca -0.33 -0.16 0.06 0.00 1.13 0.00 0.00 58.89 59.60 3gxf h TRP 357 Cb 1.15 -0.14 -0.06 0.00 -0.51 0.00 0.00 29.16 29.60 3gxf h TRP 357 CO 0.94 0.80 0.01 0.22 -1.03 0.00 0.00 178.44 179.38 3gxf h ASP 358 N 0.45 -0.13 -0.31 2.65 -0.00 -1.97 0.82 116.42 117.93 3gxf h ASP 358 Ca 0.05 0.08 -0.05 0.00 -0.00 0.00 0.00 57.03 57.11 3gxf h ASP 358 Cb 0.80 0.14 -0.02 0.00 -0.00 0.00 0.00 39.33 40.25 3gxf h ASP 358 CO 0.07 -0.03 0.03 0.03 -0.00 0.00 0.00 179.24 179.33 3gxf h ARG 359 N 0.11 0.63 0.51 0.28 3.08 -1.97 0.21 114.38 117.22 3gxf h ARG 359 Ca 0.18 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3gxf h ARG 359 Cb 0.24 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3gxf h ARG 359 CO -0.29 0.63 -0.34 0.78 -1.07 0.00 0.00 179.97 179.68 3gxf h GLY 360 N 0.89 -0.90 1.34 0.04 0.00 -1.30 -1.61 103.07 101.52 3gxf h GLY 360 Ca 0.13 0.39 0.03 0.00 0.00 0.00 0.00 47.33 47.87 3gxf h GLY 360 CO 0.01 -0.32 0.39 -0.33 0.00 0.00 0.00 176.54 176.28 3gxf h MET 361 N -0.82 0.68 -0.63 4.80 2.86 -0.25 -2.19 114.93 119.37 3gxf h MET 361 Ca -0.06 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.58 3gxf h MET 361 Cb 0.69 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.15 3gxf h MET 361 CO 0.04 0.45 0.38 1.96 1.06 0.00 0.00 176.91 180.80 3gxf h GLN 362 N 0.70 0.71 0.31 1.72 4.20 -0.32 0.28 115.11 122.72 3gxf h GLN 362 Ca 0.23 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.88 3gxf h GLN 362 Cb 0.05 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.67 3gxf h GLN 362 CO -0.06 0.47 -0.15 1.88 -0.67 0.00 0.00 178.83 180.30 3gxf h TYR 363 N 0.73 -0.39 -0.30 2.96 -1.99 -0.74 -2.11 116.97 115.13 3gxf h TYR 363 Ca 0.26 -0.01 -0.12 0.00 2.00 0.00 0.00 58.73 60.86 3gxf h TYR 363 Cb 0.06 0.13 -0.01 0.00 2.00 0.00 0.00 36.73 38.91 3gxf h TYR 363 CO -0.06 -0.20 -0.32 0.66 -0.00 0.00 0.00 178.16 178.24 3gxf h SER 364 N -0.49 0.66 -0.58 3.88 4.64 -1.38 -1.30 113.55 118.98 3gxf h SER 364 Ca -0.04 -0.26 -0.05 0.00 -0.47 0.00 0.00 61.79 60.96 3gxf h SER 364 Cb 0.37 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 3gxf h SER 364 CO 0.07 0.93 0.18 -0.74 -0.87 0.00 0.00 176.83 176.40 3gxf h HIS 365 N 0.54 0.97 -0.16 4.77 -0.00 -0.47 -1.32 115.15 119.47 3gxf h HIS 365 Ca 0.06 -0.09 -0.20 0.00 -0.00 0.00 0.00 60.37 60.15 3gxf h HIS 365 Cb 0.82 -0.28 0.01 0.00 -0.00 0.00 0.00 27.41 27.95 3gxf h HIS 365 CO 0.04 0.79 -0.67 1.03 -0.00 0.00 0.00 177.93 179.11 3gxf h SER 366 N 0.91 0.87 -0.46 3.26 0.87 -1.15 -2.39 113.55 115.45 3gxf h SER 366 Ca 0.20 -0.62 0.02 0.00 -1.23 0.00 0.00 61.79 60.17 3gxf h SER 366 Cb 0.28 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 3gxf h SER 366 CO -0.01 1.34 0.27 0.40 -0.53 0.00 0.00 176.83 178.31 3gxf h ILE 367 N 0.46 1.04 -0.36 2.23 2.04 -1.08 0.22 117.51 122.06 3gxf h ILE 367 Ca -0.04 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 3gxf h ILE 367 Cb 1.30 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 3gxf h ILE 367 CO 0.14 0.10 0.21 0.40 0.00 0.00 0.00 178.15 179.00 3gxf h ILE 368 N 0.54 1.13 -0.71 -0.67 2.04 -1.24 0.55 117.51 119.14 3gxf h ILE 368 Ca 0.19 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 3gxf h ILE 368 Cb 0.03 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3gxf h ILE 368 CO -0.09 0.13 0.28 0.74 0.00 0.00 0.00 178.15 179.21 3gxf h THR 369 N 0.47 1.24 -0.22 -0.27 2.02 -1.25 0.22 112.91 115.11 3gxf h THR 369 Ca 0.13 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 3gxf h THR 369 Cb 0.03 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3gxf h THR 369 CO -0.02 0.31 0.12 0.78 0.37 0.00 0.00 175.52 177.08 3gxf h ASN 370 N 1.03 0.28 0.37 4.18 2.35 -0.60 -2.68 115.58 120.51 3gxf h ASN 370 Ca 0.24 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 3gxf h ASN 370 Cb 0.21 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 3gxf h ASN 370 CO -0.02 0.29 -0.10 -0.07 -1.65 0.00 0.00 177.43 175.88 3gxf h LEU 371 N 0.25 0.00 -0.05 1.61 3.38 -0.02 -2.39 115.31 118.09 3gxf h LEU 371 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3gxf h LEU 371 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3gxf h LEU 371 CO -0.01 0.10 -0.15 0.18 0.09 0.00 0.00 178.44 178.65 3gxf n LEU 372 N -3.60 0.23 -2.38 1.67 4.77 0.69 -3.83 117.00 114.54 3gxf n LEU 372 Ca -0.02 0.25 -0.19 0.00 -0.03 0.00 0.00 56.01 56.02 3gxf n LEU 372 Cb 0.23 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 40.99 3gxf n LEU 372 CO 0.29 0.05 0.11 -1.22 -1.33 0.00 0.00 177.39 175.30 3gxf n TYR 373 N -1.37 2.51 -0.40 -1.77 4.02 -0.93 -5.00 117.16 114.21 3gxf n TYR 373 Ca 0.09 -2.56 0.00 0.00 -0.01 0.00 0.00 57.90 55.42 3gxf n TYR 373 Cb 0.32 -0.25 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 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 -0.54 0.00 -2.75 -0.72 8.25 -1.20 -4.61 115.22 113.64 3gxf n HIS 374 Ca 0.32 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.37 3gxf n HIS 374 Cb 0.83 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.88 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 -3.01 4.27 -1.10 1.59 1.01 -1.00 -4.46 120.40 117.71 3gxf s VAL 375 Ca 0.00 2.06 0.24 0.00 0.00 0.00 0.00 61.98 64.28 3gxf s VAL 375 Cb 0.00 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 3gxf s VAL 375 CO 0.00 0.42 1.25 1.33 0.00 0.00 0.00 175.10 178.11 3gxf n VAL 376 N 2.05 0.00 -3.84 2.92 0.24 0.40 -4.55 118.33 115.55 3gxf n VAL 376 Ca -0.00 -0.02 -0.04 0.00 -2.04 0.00 0.00 64.34 62.23 3gxf n VAL 376 Cb 0.48 0.53 0.01 0.00 -1.47 0.00 0.00 33.84 33.39 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 -2.94 0.07 -0.15 7.63 0.00 -1.26 0.15 107.32 110.81 3gxf s GLY 377 Ca 0.11 -0.29 -0.06 0.00 0.00 0.00 0.00 44.72 44.48 3gxf s GLY 377 CO 0.73 1.30 0.33 0.86 0.00 0.00 0.00 173.10 176.32 3gxf s TRP 378 N -2.51 -0.55 -0.21 1.90 -0.00 -0.64 -2.29 118.94 114.64 3gxf s TRP 378 Ca 0.18 1.16 -0.02 0.00 -0.00 0.00 0.00 56.10 57.42 3gxf s TRP 378 Cb -0.03 0.14 0.01 0.00 -0.00 0.00 0.00 33.47 33.58 3gxf s TRP 378 CO 0.06 -0.37 -0.10 0.99 -0.00 0.00 0.00 176.95 177.53 3gxf s THR 379 N 2.05 2.84 0.97 5.86 2.01 0.12 -2.31 115.64 127.18 3gxf s THR 379 Ca -0.04 -0.74 -0.11 0.00 0.31 0.00 0.00 61.69 61.12 3gxf s THR 379 Cb -0.11 -2.29 0.17 0.00 0.01 0.00 0.00 72.50 70.28 3gxf s THR 379 CO -0.11 0.42 1.11 -0.62 -0.69 0.00 0.00 174.62 174.74 3gxf s ASP 380 N 1.39 2.55 0.00 3.53 2.15 0.49 -2.58 116.67 124.19 3gxf s ASP 380 Ca 0.05 1.96 0.00 0.00 0.43 0.00 0.00 52.55 54.99 3gxf s ASP 380 Cb -0.14 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 3gxf s ASP 380 CO -0.07 -3.30 0.00 1.87 -0.17 0.00 0.00 175.17 173.50 3gxf n TRP 381 N -4.35 0.00 -1.66 -5.34 -0.00 -0.67 -2.90 117.44 102.53 3gxf n TRP 381 Ca 0.09 0.00 -0.61 0.00 -0.00 0.00 0.00 57.50 56.98 3gxf n TRP 381 Cb 0.53 0.00 -0.08 0.00 -0.00 0.00 0.00 31.31 31.76 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 1.24 -0.34 5.87 3.02 -1.26 -1.01 115.26 122.79 3gxf n ASN 382 Ca 0.00 1.15 0.16 0.00 -0.03 0.00 0.00 54.58 55.86 3gxf n ASN 382 Cb 0.00 -1.00 0.37 0.00 -0.61 0.00 0.00 39.78 38.54 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 4.95 0.62 -7.46 3.41 3.38 -1.49 -3.41 115.31 115.32 3gxf h LEU 383 Ca -0.47 0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.54 3gxf h LEU 383 Cb 1.37 0.04 -0.18 0.00 0.09 0.00 0.00 40.66 41.98 3gxf h LEU 383 CO 0.86 0.10 -0.19 0.00 0.09 0.00 0.00 178.44 179.30 3gxf s ALA 384 N -5.80 -0.87 0.16 1.53 0.00 -1.26 -3.83 121.76 111.68 3gxf s ALA 384 Ca -0.11 0.28 -0.01 0.00 0.00 0.00 0.00 51.96 52.13 3gxf s ALA 384 Cb 0.27 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 3gxf s ALA 384 CO 0.79 -0.37 0.08 -0.51 0.00 0.00 0.00 175.76 175.75 3gxf s LEU 385 N -1.73 1.60 0.84 0.00 1.43 -0.58 -3.95 118.68 116.29 3gxf s LEU 385 Ca -0.08 -1.27 -0.12 0.00 -1.03 0.00 0.00 54.13 51.63 3gxf s LEU 385 Cb -0.02 0.30 0.09 0.00 0.03 0.00 0.00 46.19 46.59 3gxf s LEU 385 CO 0.00 -0.75 1.11 0.54 0.23 0.00 0.00 176.35 177.48 3gxf s ASN 386 N -3.10 4.16 0.29 2.29 2.20 -0.34 0.17 114.94 120.62 3gxf s ASN 386 Ca 0.29 1.17 0.21 0.00 -0.94 0.00 0.00 52.86 53.58 3gxf s ASN 386 Cb 0.07 -1.84 1.07 0.00 -2.00 0.00 0.00 41.25 38.56 3gxf s ASN 386 CO 0.05 -2.16 1.63 -2.65 -2.94 0.00 0.00 177.10 171.03 3gxf n PRO 387 N -3.54 0.14 0.17 3.55 -0.02 -1.25 -1.05 135.00 133.00 3gxf n PRO 387 Ca 0.07 0.59 0.12 0.00 -2.02 0.00 0.00 63.50 62.26 3gxf n PRO 387 Cb 0.57 -1.92 0.14 0.00 -0.02 0.00 0.00 33.50 32.27 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 0.00 -0.52 4.81 -1.95 -3.43 114.58 113.49 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 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 3gxf h GLU 388 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.69 3gxf n GLY 389 N 1.15 1.78 0.00 1.92 0.00 -0.21 -4.62 105.19 105.20 3gxf n GLY 389 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.11 4.98 3.76 -0.02 0.00 -1.25 -2.52 105.19 109.02 3gxf n GLY 390 Ca 0.00 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 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 1.20 2.49 -0.24 1.61 0.04 -1.26 -1.20 135.00 137.64 3gxf s PRO 391 Ca 0.00 1.39 -0.05 0.00 0.04 0.00 0.00 61.00 62.38 3gxf s PRO 391 Cb 0.00 -1.91 0.13 0.00 0.04 0.00 0.00 34.50 32.76 3gxf s PRO 391 CO 0.00 -1.49 0.47 1.21 0.04 0.00 0.00 177.00 177.23 3gxf s ASN 392 N -2.73 -0.39 0.40 6.66 3.84 -1.26 -4.44 114.94 117.02 3gxf s ASN 392 Ca 0.66 0.79 0.27 0.00 0.21 0.00 0.00 52.86 54.79 3gxf s ASN 392 Cb -0.21 1.53 1.44 0.00 -0.55 0.00 0.00 41.25 43.47 3gxf s ASN 392 CO 0.46 -0.26 1.83 4.11 -2.79 0.00 0.00 177.10 180.46 3gxf h TRP 393 N 8.12 0.00 -0.09 0.43 5.08 -0.59 0.40 115.95 129.31 3gxf h TRP 393 Ca -0.19 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.78 3gxf h TRP 393 Cb 1.13 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.29 3gxf h TRP 393 CO 0.18 0.00 0.00 1.55 -1.28 0.00 0.00 178.44 178.89 3gxf n VAL 394 N -2.46 0.71 -2.03 0.12 3.14 -1.26 -4.98 118.33 111.57 3gxf n VAL 394 Ca -0.01 -0.85 -0.15 0.00 -2.96 0.00 0.00 64.34 60.36 3gxf n VAL 394 Cb 0.06 0.67 -0.02 0.00 -1.06 0.00 0.00 33.84 33.49 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 -0.04 -1.15 -2.46 1.45 1.74 0.13 -4.92 116.66 111.42 3gxf n ARG 395 Ca 0.04 0.82 -0.42 0.00 -0.77 0.00 0.00 57.85 57.51 3gxf n ARG 395 Cb 0.25 -5.09 0.01 0.00 -1.02 0.00 0.00 32.46 26.60 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 -0.73 6.32 -4.81 0.55 4.05 -1.26 -4.99 115.26 114.40 3gxf n ASN 396 Ca -0.17 -3.26 -0.34 0.00 0.45 0.00 0.00 54.58 51.26 3gxf n ASN 396 Cb 0.59 -1.37 -0.07 0.00 1.23 0.00 0.00 39.78 40.17 3gxf n ASN 396 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 3gxf s PHE 397 N -1.27 3.46 0.24 1.20 0.08 -1.26 -5.00 117.98 115.42 3gxf s PHE 397 Ca 0.40 1.65 0.03 0.00 0.12 0.00 0.00 56.93 59.13 3gxf s PHE 397 Cb 0.11 -2.86 -0.01 0.00 -0.57 0.00 0.00 43.02 39.70 3gxf s PHE 397 CO -0.00 0.02 0.26 1.33 -0.10 0.00 0.00 175.22 176.72 3gxf n VAL 398 N -0.17 0.00 -2.55 -0.44 0.24 -1.05 -4.82 118.33 109.55 3gxf n VAL 398 Ca 0.05 -1.52 -0.24 0.00 -2.04 0.00 0.00 64.34 60.59 3gxf n VAL 398 Cb 0.52 0.82 0.04 0.00 -1.47 0.00 0.00 33.84 33.75 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 -2.58 5.36 -0.10 -1.34 -1.08 -0.31 -4.40 116.67 112.22 3gxf s ASP 399 Ca 0.25 0.33 -0.16 0.00 -0.52 0.00 0.00 52.55 52.45 3gxf s ASP 399 Cb 0.01 -1.26 0.04 0.00 -1.46 0.00 0.00 42.92 40.24 3gxf s ASP 399 CO 0.18 -1.14 0.41 -0.55 0.52 0.00 0.00 175.17 174.58 3gxf s SER 400 N -4.38 -0.37 0.52 -0.34 0.15 -1.26 -4.63 113.70 103.40 3gxf s SER 400 Ca 0.55 0.57 0.28 0.00 0.70 0.00 0.00 55.95 58.05 3gxf s SER 400 Cb -0.10 0.64 1.41 0.00 -1.71 0.00 0.00 66.02 66.25 3gxf s SER 400 CO 0.41 -0.29 1.93 -0.65 1.20 0.00 0.00 173.24 175.84 3gxf h PRO 401 N 4.69 0.04 -4.71 5.44 0.11 -1.80 -3.40 132.00 132.37 3gxf h PRO 401 Ca -0.28 -0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.25 3gxf h PRO 401 Cb 1.18 -0.01 -0.34 0.00 0.11 0.00 0.00 31.00 31.93 3gxf h PRO 401 CO 0.31 0.03 -0.83 0.42 -0.21 0.00 0.00 178.00 177.72 3gxf s ILE 402 N -5.04 1.44 -0.17 4.15 1.01 -1.25 -0.83 121.20 120.51 3gxf s ILE 402 Ca -0.05 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 59.97 3gxf s ILE 402 Cb 0.21 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 3gxf s ILE 402 CO 0.76 0.43 -0.09 -0.63 0.00 0.00 0.00 174.94 175.40 3gxf s ILE 403 N 0.94 3.18 -0.20 2.92 -1.09 -0.45 -1.52 121.20 124.97 3gxf s ILE 403 Ca -0.08 -0.59 -0.10 0.00 -2.23 0.00 0.00 60.65 57.65 3gxf s ILE 403 Cb -0.15 -2.38 -0.05 0.00 -1.58 0.00 0.00 42.46 38.29 3gxf s ILE 403 CO -0.01 0.48 0.14 -0.69 -1.23 0.00 0.00 174.94 173.64 3gxf s VAL 404 N 0.84 5.40 -0.60 2.92 1.01 0.13 -0.36 120.40 129.73 3gxf s VAL 404 Ca -0.03 0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 3gxf s VAL 404 Cb -0.15 -3.48 0.15 0.00 0.00 0.00 0.00 36.38 32.90 3gxf s VAL 404 CO 0.01 0.43 0.40 -0.62 0.00 0.00 0.00 175.10 175.31 3gxf s ASP 405 N 0.45 5.08 0.42 3.32 -1.08 0.79 -3.91 116.67 121.74 3gxf s ASP 405 Ca 0.08 -2.85 0.10 0.00 -0.52 0.00 0.00 52.55 49.37 3gxf s ASP 405 Cb -0.11 -1.82 0.90 0.00 -1.46 0.00 0.00 42.92 40.43 3gxf s ASP 405 CO -0.01 -0.35 2.00 0.40 0.52 0.00 0.00 175.17 177.73 3gxf h ILE 406 N 5.36 1.12 0.00 4.11 2.04 -1.91 -1.62 117.51 126.62 3gxf h ILE 406 Ca -0.03 -0.48 -0.13 0.00 1.00 0.00 0.00 64.86 65.23 3gxf h ILE 406 Cb 0.95 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 3gxf h ILE 406 CO 0.71 0.16 -0.61 0.71 0.00 0.00 0.00 178.15 179.12 3gxf h THR 407 N 0.26 1.23 -0.41 -0.27 1.35 -1.93 -2.47 112.91 110.67 3gxf h THR 407 Ca 0.06 -2.24 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 3gxf h THR 407 Cb 0.19 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 3gxf h THR 407 CO 0.00 0.59 0.00 0.29 -0.25 0.00 0.00 175.52 176.16 3gxf n LYS 408 N -3.52 2.35 -4.17 4.72 4.76 -0.67 -4.95 118.16 116.68 3gxf n LYS 408 Ca -0.00 -2.05 -0.35 0.00 -2.87 0.00 0.00 58.31 53.04 3gxf n LYS 408 Cb 0.67 -1.48 -0.07 0.00 -1.84 0.00 0.00 35.03 32.32 3gxf n LYS 408 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3gxf n ASP 409 N 1.23 -1.67 -4.38 4.39 2.03 -0.91 -4.95 116.55 112.28 3gxf n ASP 409 Ca 0.19 -0.94 -0.20 0.00 0.52 0.00 0.00 54.79 54.36 3gxf n ASP 409 Cb 0.53 -1.48 -0.10 0.00 -0.72 0.00 0.00 41.12 39.35 3gxf n ASP 409 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3gxf s THR 410 N -3.01 1.98 0.07 5.18 -4.23 -0.82 -4.06 115.64 110.75 3gxf s THR 410 Ca 0.69 -2.26 0.04 0.00 -1.18 0.00 0.00 61.69 58.98 3gxf s THR 410 Cb -0.40 -2.11 -0.03 0.00 1.34 0.00 0.00 72.50 71.29 3gxf s THR 410 CO 0.84 -0.52 -0.12 0.72 -0.54 0.00 0.00 174.62 175.01 3gxf s PHE 411 N -2.76 1.05 -0.20 3.99 -0.12 0.13 -0.15 117.98 119.91 3gxf s PHE 411 Ca 0.24 -0.50 -0.04 0.00 -0.05 0.00 0.00 56.93 56.58 3gxf s PHE 411 Cb -0.02 -0.59 -0.01 0.00 -0.63 0.00 0.00 43.02 41.76 3gxf s PHE 411 CO 0.09 0.01 -0.04 0.71 -0.05 0.00 0.00 175.22 175.95 3gxf s TYR 412 N -1.50 2.97 -0.34 3.49 1.51 0.51 -0.32 117.35 123.67 3gxf s TYR 412 Ca -0.03 -0.73 -0.19 0.00 -1.01 0.00 0.00 57.07 55.11 3gxf s TYR 412 Cb -0.09 -2.07 -0.00 0.00 -0.11 0.00 0.00 41.96 39.69 3gxf s TYR 412 CO 0.01 -0.40 0.59 0.15 -1.11 0.00 0.00 175.55 174.79 3gxf s LYS 413 N 1.19 3.72 0.63 -0.62 1.02 -0.20 -1.34 119.74 124.13 3gxf s LYS 413 Ca 0.03 0.03 -0.10 0.00 0.02 0.00 0.00 55.97 55.94 3gxf s LYS 413 Cb -0.14 -3.79 -0.03 0.00 -0.52 0.00 0.00 37.83 33.35 3gxf s LYS 413 CO -0.00 -0.66 1.02 -0.65 -0.92 0.00 0.00 175.35 174.14 3gxf s GLN 414 N 2.57 3.40 0.57 1.68 -0.21 -0.01 -1.98 119.66 125.68 3gxf s GLN 414 Ca 0.22 0.62 0.39 0.00 0.02 0.00 0.00 55.36 56.61 3gxf s GLN 414 Cb -0.15 -2.10 1.49 0.00 1.00 0.00 0.00 33.01 33.25 3gxf s GLN 414 CO 0.14 -0.65 1.64 -1.35 -2.12 0.00 0.00 175.29 172.95 3gxf h PRO 415 N -0.35 0.00 -0.51 2.91 0.11 -1.79 -0.53 132.00 131.84 3gxf h PRO 415 Ca -0.44 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 3gxf h PRO 415 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3gxf h PRO 415 CO 0.62 0.00 -0.02 0.52 -0.21 0.00 0.00 178.00 178.91 3gxf h MET 416 N 0.00 0.88 -0.22 1.05 2.86 -1.86 -2.19 114.93 115.45 3gxf h MET 416 Ca 0.64 -0.26 0.05 0.00 -2.06 0.00 0.00 59.70 58.06 3gxf h MET 416 Cb 2.78 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 34.30 3gxf h MET 416 CO -0.01 0.89 -0.10 0.35 1.06 0.00 0.00 176.91 179.11 3gxf h PHE 417 N 0.81 -0.23 -0.38 -0.22 3.57 -1.29 -1.52 116.94 117.68 3gxf h PHE 417 Ca 0.15 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 3gxf h PHE 417 Cb 0.51 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 3gxf h PHE 417 CO 0.03 -0.15 -0.11 1.88 -2.23 0.00 0.00 178.31 177.73 3gxf h TYR 418 N -0.07 0.73 -0.14 0.41 -1.99 -1.58 -1.22 116.97 113.11 3gxf h TYR 418 Ca 0.12 -0.12 -0.05 0.00 2.00 0.00 0.00 58.73 60.67 3gxf h TYR 418 Cb 0.24 -0.19 -0.00 0.00 2.00 0.00 0.00 36.73 38.78 3gxf h TYR 418 CO -0.27 0.75 -0.10 0.45 -0.00 0.00 0.00 178.16 178.99 3gxf h HIS 419 N 0.62 0.38 -0.63 4.88 3.86 -1.29 -1.42 115.15 121.56 3gxf h HIS 419 Ca 0.11 -0.10 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 3gxf h HIS 419 Cb 0.55 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 28.88 3gxf h HIS 419 CO 0.02 0.68 0.35 -0.07 0.86 0.00 0.00 177.93 179.78 3gxf h LEU 420 N -0.03 0.53 -1.38 2.43 3.38 -1.31 -3.23 115.31 115.70 3gxf h LEU 420 Ca 0.03 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3gxf h LEU 420 Cb 0.60 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3gxf h LEU 420 CO 0.03 0.35 -0.29 1.23 0.09 0.00 0.00 178.44 179.84 3gxf h GLY 421 N 0.66 0.00 1.97 0.83 0.00 -0.79 0.69 103.07 106.43 3gxf h GLY 421 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3gxf h GLY 421 CO -0.16 0.00 0.01 0.45 0.00 0.00 0.00 176.54 176.84 3gxf h HIS 422 N 0.00 0.00 0.00 5.60 3.86 -1.28 -0.70 115.15 122.63 3gxf h HIS 422 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3gxf h HIS 422 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 3gxf h HIS 422 CO 0.00 0.00 -0.60 1.19 0.86 0.00 0.00 177.93 179.38 3gxf n PHE 423 N -2.29 0.00 -0.30 2.45 3.01 -0.42 -4.61 117.46 115.30 3gxf n PHE 423 Ca -0.01 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.46 3gxf n PHE 423 Cb 0.05 -0.30 0.15 0.00 -0.01 0.00 0.00 39.48 39.37 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 -0.60 0.76 0.53 4.37 4.64 -0.86 -1.73 113.55 120.66 3gxf h SER 424 Ca 0.00 0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 3gxf h SER 424 Cb 0.60 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 3gxf h SER 424 CO 0.00 0.47 -0.17 0.50 -0.87 0.00 0.00 176.83 176.76 3gxf h LYS 425 N 0.89 0.00 -0.03 4.77 3.64 -0.66 -3.32 116.57 121.84 3gxf h LYS 425 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3gxf h LYS 425 Cb 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3gxf h LYS 425 CO -0.20 0.17 0.00 1.19 -2.27 0.00 0.00 179.45 178.34 3gxf n PHE 426 N -3.59 0.05 -3.46 1.91 3.01 -0.68 -4.82 117.46 109.89 3gxf n PHE 426 Ca -0.01 -0.38 -0.28 0.00 1.01 0.00 0.00 57.45 57.79 3gxf n PHE 426 Cb 0.31 -0.04 -0.11 0.00 -0.01 0.00 0.00 39.48 39.63 3gxf n PHE 426 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3gxf s ILE 427 N -0.79 0.48 0.96 4.37 1.01 -1.06 -4.89 121.20 121.28 3gxf s ILE 427 Ca 0.03 -2.45 -0.12 0.00 0.00 0.00 0.00 60.65 58.11 3gxf s ILE 427 Cb 0.01 -1.35 0.17 0.00 0.01 0.00 0.00 42.46 41.31 3gxf s ILE 427 CO 0.02 -1.13 1.09 -2.16 0.00 0.00 0.00 174.94 172.76 3gxf s PRO 428 N 0.30 0.71 0.27 2.79 0.04 -1.26 -4.87 135.00 132.98 3gxf s PRO 428 Ca 0.27 0.72 -0.29 0.00 0.04 0.00 0.00 61.00 61.74 3gxf s PRO 428 Cb -0.06 -1.75 -0.14 0.00 0.04 0.00 0.00 34.50 32.58 3gxf s PRO 428 CO -0.12 -2.59 1.14 -1.91 0.04 0.00 0.00 177.00 173.56 3gxf n GLU 429 N -4.11 1.54 -0.11 4.56 2.13 -1.26 -2.03 120.64 121.36 3gxf n GLU 429 Ca 0.06 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.42 3gxf n GLU 429 Cb 0.56 -2.01 0.00 0.00 0.27 0.00 0.00 31.44 30.26 3gxf n GLU 429 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gxf n GLY 430 N 1.44 1.38 3.77 8.31 0.00 0.49 -4.78 105.19 115.80 3gxf n GLY 430 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3gxf n GLY 430 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gxf s SER 431 N -3.03 6.15 -0.17 1.61 0.01 -0.86 -4.24 113.70 113.17 3gxf s SER 431 Ca 0.00 2.93 -0.03 0.00 1.31 0.00 0.00 55.95 60.17 3gxf s SER 431 Cb 0.00 -2.66 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 3gxf s SER 431 CO 0.00 -0.99 -0.07 -1.58 0.41 0.00 0.00 173.24 171.01 3gxf s GLN 432 N -2.26 3.50 0.41 12.44 0.74 -0.21 0.53 119.66 134.82 3gxf s GLN 432 Ca 0.57 -0.60 -0.25 0.00 0.05 0.00 0.00 55.36 55.13 3gxf s GLN 432 Cb -0.44 -2.86 -0.08 0.00 1.10 0.00 0.00 33.01 30.73 3gxf s GLN 432 CO 0.58 0.10 1.23 0.50 -0.55 0.00 0.00 175.29 177.15 3gxf s ARG 433 N 0.69 3.96 0.31 1.67 3.52 -0.59 -0.33 118.95 128.19 3gxf s ARG 433 Ca -0.03 1.97 0.04 0.00 -0.13 0.00 0.00 55.73 57.57 3gxf s ARG 433 Cb -0.15 -2.67 -0.04 0.00 -1.56 0.00 0.00 34.95 30.53 3gxf s ARG 433 CO 0.02 -0.44 0.18 0.14 -0.81 0.00 0.00 175.30 174.39 3gxf s VAL 434 N -1.36 0.24 0.65 7.11 -7.23 -0.68 -1.31 120.40 117.82 3gxf s VAL 434 Ca 0.58 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.58 3gxf s VAL 434 Cb -0.34 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.10 3gxf s VAL 434 CO 0.43 0.00 1.19 -0.83 -0.31 0.00 0.00 175.10 175.57 3gxf s GLY 435 N -3.37 2.52 -0.32 2.32 0.00 -0.74 -4.33 107.32 103.40 3gxf s GLY 435 Ca 0.36 0.89 0.03 0.00 0.00 0.00 0.00 44.72 46.00 3gxf s GLY 435 CO 0.19 1.28 0.68 -2.27 0.00 0.00 0.00 173.10 172.98 3gxf s LEU 436 N -4.53 -1.39 -0.10 0.66 2.96 -1.25 -1.53 118.68 113.50 3gxf s LEU 436 Ca 0.75 -0.05 -0.19 0.00 -0.22 0.00 0.00 54.13 54.42 3gxf s LEU 436 Cb -0.28 1.85 -0.04 0.00 0.50 0.00 0.00 46.19 48.21 3gxf s LEU 436 CO 0.38 -0.23 0.52 -0.69 -1.32 0.00 0.00 176.35 175.01 3gxf s VAL 437 N 2.61 5.14 0.27 1.68 1.01 -0.50 -4.83 120.40 125.78 3gxf s VAL 437 Ca 0.14 1.05 -0.09 0.00 0.00 0.00 0.00 61.98 63.07 3gxf s VAL 437 Cb -0.07 -3.86 -0.07 0.00 0.00 0.00 0.00 36.38 32.39 3gxf s VAL 437 CO -0.21 0.33 0.60 0.00 0.00 0.00 0.00 175.10 175.82 3gxf s ALA 438 N 0.51 3.53 -0.42 5.51 0.00 -1.26 0.30 121.76 129.92 3gxf s ALA 438 Ca 0.28 -0.30 0.23 0.00 0.00 0.00 0.00 51.96 52.18 3gxf s ALA 438 Cb -0.16 -2.47 0.14 0.00 0.00 0.00 0.00 23.12 20.63 3gxf s ALA 438 CO 0.12 0.37 1.16 0.66 0.00 0.00 0.00 175.76 178.06 3gxf h SER 439 N 2.16 0.00 -5.00 0.00 4.64 -1.42 -3.47 113.55 110.45 3gxf h SER 439 Ca -0.47 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 60.71 3gxf h SER 439 Cb 1.18 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.13 3gxf h SER 439 CO 0.67 0.06 0.19 0.00 -0.87 0.00 0.00 176.83 176.88 3gxf s GLN 440 N -3.27 1.23 0.52 4.77 -2.07 -1.26 -4.94 119.66 114.63 3gxf s GLN 440 Ca 0.02 -0.35 -0.20 0.00 -1.82 0.00 0.00 55.36 53.01 3gxf s GLN 440 Cb 0.11 0.57 -0.09 0.00 -1.09 0.00 0.00 33.01 32.51 3gxf s GLN 440 CO 0.76 -0.51 0.74 1.63 -1.32 0.00 0.00 175.29 176.58 3gxf n LYS 441 N -0.15 0.80 -3.71 9.60 5.02 -1.26 -4.98 118.16 123.47 3gxf n LYS 441 Ca -0.17 0.30 -0.09 0.00 -2.02 0.00 0.00 58.31 56.32 3gxf n LYS 441 Cb 0.64 -1.85 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 3gxf n LYS 441 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3gxf s ASN 442 N -1.05 -0.31 -0.13 4.39 2.20 -1.26 -5.04 114.94 113.74 3gxf s ASN 442 Ca 0.68 -0.44 0.12 0.00 -0.94 0.00 0.00 52.86 52.29 3gxf s ASN 442 Cb -0.49 0.61 0.57 0.00 -2.00 0.00 0.00 41.25 39.94 3gxf s ASN 442 CO 0.54 -1.10 1.42 0.47 -2.94 0.00 0.00 177.10 175.49 3gxf n ASP 443 N -0.37 4.07 -4.95 3.54 8.00 -1.26 -4.97 116.55 120.61 3gxf n ASP 443 Ca -0.10 -2.49 -0.24 0.00 0.71 0.00 0.00 54.79 52.67 3gxf n ASP 443 Cb 0.62 -0.56 -0.01 0.00 -0.02 0.00 0.00 41.12 41.15 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 -1.75 4.07 -0.17 0.64 1.43 -1.26 -4.53 118.68 117.11 3gxf s LEU 444 Ca 0.39 0.39 -0.00 0.00 -1.03 0.00 0.00 54.13 53.89 3gxf s LEU 444 Cb 0.28 -3.24 0.01 0.00 0.03 0.00 0.00 46.19 43.26 3gxf s LEU 444 CO 0.16 -0.25 -0.15 -1.81 0.23 0.00 0.00 176.35 174.52 3gxf s ASP 445 N -3.98 3.55 0.03 2.29 1.01 -0.89 -4.98 116.67 113.69 3gxf s ASP 445 Ca 0.39 -0.53 -0.03 0.00 0.71 0.00 0.00 52.55 53.09 3gxf s ASP 445 Cb -0.10 -1.56 -0.02 0.00 1.01 0.00 0.00 42.92 42.26 3gxf s ASP 445 CO 0.35 0.04 0.03 0.00 0.21 0.00 0.00 175.17 175.79 3gxf s ALA 446 N 1.10 0.11 -0.17 5.23 0.00 -1.26 -0.18 121.76 126.59 3gxf s ALA 446 Ca 0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 51.96 51.14 3gxf s ALA 446 Cb -0.14 0.21 0.05 0.00 0.00 0.00 0.00 23.12 23.24 3gxf s ALA 446 CO -0.05 -0.27 0.45 0.54 0.00 0.00 0.00 175.76 176.42 3gxf s VAL 447 N -2.47 -0.01 0.05 0.00 0.11 -0.89 -5.00 120.40 112.20 3gxf s VAL 447 Ca -0.06 0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.06 3gxf s VAL 447 Cb -0.02 -0.64 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 3gxf s VAL 447 CO -0.04 0.01 -0.02 0.00 -3.33 0.00 0.00 175.10 171.72 3gxf s ALA 448 N 0.73 3.23 0.13 1.54 0.00 -1.26 -1.42 121.76 124.71 3gxf s ALA 448 Ca -0.04 -1.06 -0.08 0.00 0.00 0.00 0.00 51.96 50.78 3gxf s ALA 448 Cb -0.05 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 3gxf s ALA 448 CO -0.05 0.67 0.23 -0.51 0.00 0.00 0.00 175.76 176.10 3gxf s LEU 449 N -1.95 1.20 -0.12 0.00 1.02 -0.22 -1.69 118.68 116.91 3gxf s LEU 449 Ca 0.22 -0.82 0.02 0.00 0.02 0.00 0.00 54.13 53.58 3gxf s LEU 449 Cb -0.12 1.06 0.00 0.00 0.02 0.00 0.00 46.19 47.16 3gxf s LEU 449 CO 0.14 -0.82 -0.20 -0.04 0.02 0.00 0.00 176.35 175.44 3gxf s MET 450 N -3.93 3.12 0.77 1.70 -1.94 0.56 -1.77 119.30 117.79 3gxf s MET 450 Ca 0.13 -0.82 -0.14 0.00 -1.71 0.00 0.00 55.69 53.15 3gxf s MET 450 Cb 0.04 -2.44 0.06 0.00 2.01 0.00 0.00 34.83 34.51 3gxf s MET 450 CO -0.04 0.11 1.20 -1.01 -0.01 0.00 0.00 175.02 175.27 3gxf s HIS 451 N 0.54 1.94 0.32 -0.03 3.76 0.43 -1.04 115.29 121.21 3gxf s HIS 451 Ca -0.12 1.64 0.08 0.00 -0.15 0.00 0.00 55.06 56.51 3gxf s HIS 451 Cb -0.17 -3.46 0.91 0.00 1.11 0.00 0.00 32.58 30.98 3gxf s HIS 451 CO 0.04 -2.70 1.63 -1.35 -0.85 0.00 0.00 174.74 171.52 3gxf h PRO 452 N -0.65 0.19 0.00 8.40 0.11 -1.86 -0.33 132.00 137.85 3gxf h PRO 452 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gxf h PRO 452 Cb 1.29 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3gxf h PRO 452 CO 0.48 0.12 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 3gxf n ASP 453 N -5.21 0.00 0.00 -2.05 5.75 -1.26 -4.86 116.55 108.91 3gxf n ASP 453 Ca 0.27 0.12 0.00 0.00 -0.01 0.00 0.00 54.79 55.17 3gxf n ASP 453 Cb 0.86 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 3gxf n ASP 453 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gxf n GLY 454 N 0.17 0.45 3.92 6.12 0.00 -0.13 -5.06 105.19 110.66 3gxf n GLY 454 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 3gxf n GLY 454 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gxf s SER 455 N -2.21 4.69 -0.11 1.61 1.04 -1.26 -4.71 113.70 112.75 3gxf s SER 455 Ca 0.00 0.58 -0.02 0.00 0.48 0.00 0.00 55.95 56.98 3gxf s SER 455 Cb 0.00 -1.16 -0.03 0.00 0.10 0.00 0.00 66.02 64.92 3gxf s SER 455 CO 0.00 -1.72 -0.02 0.00 0.98 0.00 0.00 173.24 172.48 3gxf s ALA 456 N -3.37 3.15 -0.07 5.32 0.00 -0.50 -0.43 121.76 125.85 3gxf s ALA 456 Ca 0.61 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.78 3gxf s ALA 456 Cb -0.11 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.54 3gxf s ALA 456 CO 0.46 0.45 -0.18 0.54 0.00 0.00 0.00 175.76 177.04 3gxf s VAL 457 N -0.42 1.54 -0.08 0.00 0.11 -0.73 -2.11 120.40 118.70 3gxf s VAL 457 Ca 0.07 -0.73 0.03 0.00 -2.93 0.00 0.00 61.98 58.42 3gxf s VAL 457 Cb -0.12 -1.35 0.01 0.00 -1.53 0.00 0.00 36.38 33.38 3gxf s VAL 457 CO 0.02 0.44 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.37 3gxf s VAL 458 N 0.40 1.54 -0.07 2.04 1.01 -0.25 -1.06 120.40 124.01 3gxf s VAL 458 Ca -0.14 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 3gxf s VAL 458 Cb -0.16 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 3gxf s VAL 458 CO 0.05 0.45 -0.03 -0.69 0.00 0.00 0.00 175.10 174.87 3gxf s VAL 459 N 0.50 4.00 -0.06 2.92 1.01 -0.51 -1.03 120.40 127.23 3gxf s VAL 459 Ca -0.16 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 3gxf s VAL 459 Cb -0.17 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.58 3gxf s VAL 459 CO 0.06 0.59 0.01 -0.69 0.00 0.00 0.00 175.10 175.07 3gxf s VAL 460 N -0.86 0.27 -0.16 2.92 1.01 -0.39 -2.09 120.40 121.09 3gxf s VAL 460 Ca 0.13 0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.23 3gxf s VAL 460 Cb -0.11 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 3gxf s VAL 460 CO 0.02 0.24 0.05 -0.22 0.00 0.00 0.00 175.10 175.19 3gxf s LEU 461 N 1.93 3.78 -0.28 3.92 2.96 0.75 -1.21 118.68 130.54 3gxf s LEU 461 Ca 0.04 0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 54.02 3gxf s LEU 461 Cb -0.12 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.66 3gxf s LEU 461 CO -0.04 0.22 -0.01 0.21 -1.32 0.00 0.00 176.35 175.41 3gxf s ASN 462 N 0.10 4.68 0.00 3.68 3.84 0.59 -2.10 114.94 125.73 3gxf s ASN 462 Ca 0.04 -0.96 0.19 0.00 0.21 0.00 0.00 52.86 52.34 3gxf s ASN 462 Cb -0.12 -1.73 -0.06 0.00 -0.55 0.00 0.00 41.25 38.79 3gxf s ASN 462 CO 0.01 -0.19 0.91 0.54 -2.79 0.00 0.00 177.10 175.58 3gxf n ARG 463 N 4.70 1.37 -2.56 0.43 1.74 -1.26 -1.05 116.66 120.03 3gxf n ARG 463 Ca -0.15 -0.67 -0.27 0.00 -0.77 0.00 0.00 57.85 55.99 3gxf n ARG 463 Cb 0.46 -1.36 0.01 0.00 -1.02 0.00 0.00 32.46 30.54 3gxf n ARG 463 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gxf s SER 464 N -2.30 6.14 0.00 0.55 1.04 -1.26 -4.73 113.70 113.14 3gxf s SER 464 Ca 0.13 0.91 0.28 0.00 0.48 0.00 0.00 55.95 57.75 3gxf s SER 464 Cb 0.15 -2.16 1.07 0.00 0.10 0.00 0.00 66.02 65.18 3gxf s SER 464 CO 0.55 -0.68 1.77 -1.54 0.98 0.00 0.00 173.24 174.33 3gxf n SER 465 N -2.34 0.40 -4.69 7.02 3.41 -1.26 -2.33 113.62 113.82 3gxf n SER 465 Ca 0.01 -0.29 -0.40 0.00 -0.26 0.00 0.00 58.87 57.94 3gxf n SER 465 Cb 0.55 -0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 3gxf n SER 465 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gxf s LYS 466 N -2.69 4.33 0.21 4.33 1.02 -1.26 -4.15 119.74 121.52 3gxf s LYS 466 Ca 0.22 0.70 -0.32 0.00 0.02 0.00 0.00 55.97 56.59 3gxf s LYS 466 Cb 0.19 -3.50 -0.13 0.00 -0.52 0.00 0.00 37.83 33.87 3gxf s LYS 466 CO 0.53 -0.05 1.61 -0.25 -0.92 0.00 0.00 175.35 176.27 3gxf n ASP 467 N 4.30 3.48 -3.96 2.83 9.92 -1.26 -3.94 116.55 127.92 3gxf n ASP 467 Ca -0.02 1.09 -0.30 0.00 -0.53 0.00 0.00 54.79 55.03 3gxf n ASP 467 Cb 0.51 -1.50 -0.16 0.00 -0.64 0.00 0.00 41.12 39.32 3gxf n ASP 467 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3gxf s VAL 468 N 0.71 1.53 0.04 2.53 1.01 0.52 -4.94 120.40 121.80 3gxf s VAL 468 Ca 0.74 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 3gxf s VAL 468 Cb -0.59 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 3gxf s VAL 468 CO 0.39 0.08 1.20 -2.84 0.00 0.00 0.00 175.10 173.93 3gxf s PRO 469 N 1.43 4.42 0.15 2.72 0.02 -1.26 0.68 135.00 143.16 3gxf s PRO 469 Ca -0.02 1.75 0.02 0.00 0.02 0.00 0.00 61.00 62.76 3gxf s PRO 469 Cb -0.17 -3.39 -0.04 0.00 0.02 0.00 0.00 34.50 30.91 3gxf s PRO 469 CO -0.07 -0.29 -0.02 -0.48 -0.33 0.00 0.00 177.00 175.80 3gxf s LEU 470 N 1.30 2.24 -0.09 -5.54 2.34 -0.79 -4.01 118.68 114.13 3gxf s LEU 470 Ca 0.58 -1.12 0.03 0.00 0.06 0.00 0.00 54.13 53.69 3gxf s LEU 470 Cb -0.28 -0.07 0.00 0.00 -0.56 0.00 0.00 46.19 45.28 3gxf s LEU 470 CO 0.28 -0.53 -0.20 -0.89 -1.06 0.00 0.00 176.35 173.95 3gxf s THR 471 N -3.63 1.72 -0.16 5.48 2.01 -0.25 -1.03 115.64 119.77 3gxf s THR 471 Ca 0.20 -0.82 -0.08 0.00 0.31 0.00 0.00 61.69 61.30 3gxf s THR 471 Cb 0.06 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 3gxf s THR 471 CO 0.01 0.48 0.12 -0.63 -0.69 0.00 0.00 174.62 173.92 3gxf s ILE 472 N 0.44 5.34 -0.19 1.82 1.01 -0.54 -0.82 121.20 128.26 3gxf s ILE 472 Ca -0.17 0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.63 3gxf s ILE 472 Cb -0.17 -3.38 0.01 0.00 0.01 0.00 0.00 42.46 38.92 3gxf s ILE 472 CO 0.07 0.52 -0.14 -0.75 0.00 0.00 0.00 174.94 174.64 3gxf s LYS 473 N -0.25 3.17 -0.21 2.79 2.20 0.43 -0.30 119.74 127.57 3gxf s LYS 473 Ca 0.11 -0.75 -0.03 0.00 -0.36 0.00 0.00 55.97 54.94 3gxf s LYS 473 Cb -0.12 -2.72 -0.01 0.00 -1.51 0.00 0.00 37.83 33.48 3gxf s LYS 473 CO 0.01 -0.15 -0.06 0.34 -0.36 0.00 0.00 175.35 175.13 3gxf s ASP 474 N 1.23 4.25 0.64 1.43 -1.08 -0.80 -0.26 116.67 122.07 3gxf s ASP 474 Ca 0.03 -0.38 0.42 0.00 -0.52 0.00 0.00 52.55 52.09 3gxf s ASP 474 Cb -0.14 -1.72 2.17 0.00 -1.46 0.00 0.00 42.92 41.77 3gxf s ASP 474 CO -0.07 0.01 2.28 -0.65 0.52 0.00 0.00 175.17 177.26 3gxf h PRO 475 N 7.90 0.00 0.00 4.34 0.11 -1.83 0.52 132.00 143.03 3gxf h PRO 475 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3gxf h PRO 475 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3gxf h PRO 475 CO 0.60 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.39 3gxf n ALA 476 N -2.08 1.96 0.00 -0.75 0.00 -1.26 -4.60 120.51 113.78 3gxf n ALA 476 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3gxf n ALA 476 Cb 0.13 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.16 3gxf n ALA 476 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3gxf n VAL 477 N -2.21 0.00 0.00 0.00 0.24 -0.94 -4.94 118.33 110.48 3gxf n VAL 477 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 3gxf n VAL 477 Cb 0.32 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 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 0.37 0.83 3.54 7.63 0.00 0.13 -4.71 105.19 112.98 3gxf n GLY 478 Ca 0.00 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.89 2.92 -0.34 1.61 0.40 -0.22 -1.91 117.98 117.56 3gxf s PHE 479 Ca 0.00 -0.12 -0.15 0.00 -0.60 0.00 0.00 56.93 56.06 3gxf s PHE 479 Cb 0.00 -1.77 -0.02 0.00 0.51 0.00 0.00 43.02 41.75 3gxf s PHE 479 CO 0.00 0.20 0.34 -0.51 0.70 0.00 0.00 175.22 175.95 3gxf s LEU 480 N -0.46 4.42 -0.23 -0.37 1.43 0.59 -1.02 118.68 123.04 3gxf s LEU 480 Ca 0.07 -0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 52.80 3gxf s LEU 480 Cb -0.12 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 3gxf s LEU 480 CO 0.02 -0.31 0.34 -1.61 0.23 0.00 0.00 176.35 175.03 3gxf s GLU 481 N 1.97 4.11 0.11 1.70 8.01 -1.26 -1.47 118.70 131.87 3gxf s GLU 481 Ca 0.11 0.07 -0.02 0.00 0.01 0.00 0.00 54.97 55.14 3gxf s GLU 481 Cb -0.17 -3.57 0.01 0.00 -4.31 0.00 0.00 34.13 26.09 3gxf s GLU 481 CO 0.11 -0.08 0.17 -2.37 0.01 0.00 0.00 175.26 173.11 3gxf n THR 482 N 4.53 0.00 -4.05 3.63 5.66 -0.20 -5.03 114.28 118.83 3gxf n THR 482 Ca -0.10 -0.43 -0.15 0.00 -3.05 0.00 0.00 64.05 60.33 3gxf n THR 482 Cb 0.51 0.30 -0.14 0.00 -1.55 0.00 0.00 70.33 69.45 3gxf n THR 482 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3gxf s ILE 483 N -2.62 0.26 -0.60 1.09 1.09 -1.26 -1.88 121.20 117.27 3gxf s ILE 483 Ca 0.07 -0.13 -0.15 0.00 -1.10 0.00 0.00 60.65 59.35 3gxf s ILE 483 Cb -0.01 -0.23 0.15 0.00 -1.06 0.00 0.00 42.46 41.31 3gxf s ILE 483 CO 0.05 0.08 0.55 -0.55 -0.10 0.00 0.00 174.94 174.96 3gxf s SER 484 N -0.00 6.26 0.88 3.58 0.15 0.21 -4.92 113.70 119.87 3gxf s SER 484 Ca 0.00 -2.02 -0.11 0.00 0.70 0.00 0.00 55.95 54.52 3gxf s SER 484 Cb -0.02 -2.19 0.13 0.00 -1.71 0.00 0.00 66.02 62.23 3gxf s SER 484 CO -0.00 -0.77 1.16 -2.84 1.20 0.00 0.00 173.24 171.99 3gxf s PRO 485 N 1.23 1.19 0.49 5.44 0.02 -1.26 -0.36 135.00 141.75 3gxf s PRO 485 Ca 0.07 1.60 -0.22 0.00 0.02 0.00 0.00 61.00 62.47 3gxf s PRO 485 Cb -0.25 -1.74 -0.07 0.00 0.02 0.00 0.00 34.50 32.46 3gxf s PRO 485 CO -0.00 -2.51 1.18 0.20 -0.33 0.00 0.00 177.00 175.53 3gxf s GLY 486 N -2.54 2.76 -0.97 0.52 0.00 -1.25 -3.18 107.32 102.65 3gxf s GLY 486 Ca 0.68 0.95 -0.12 0.00 0.00 0.00 0.00 44.72 46.23 3gxf s GLY 486 CO 0.56 1.39 0.70 -1.72 0.00 0.00 0.00 173.10 174.02 3gxf n TYR 487 N -0.76 -2.07 -3.89 1.90 0.53 -0.22 -4.76 117.16 107.91 3gxf n TYR 487 Ca 0.09 0.64 -0.10 0.00 -1.02 0.00 0.00 57.90 57.51 3gxf n TYR 487 Cb 0.48 -3.23 -0.09 0.00 -1.03 0.00 0.00 39.34 35.47 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 -3.23 0.10 -0.02 7.72 1.04 -1.06 -1.90 113.70 116.34 3gxf s SER 488 Ca 0.24 -0.43 0.06 0.00 0.48 0.00 0.00 55.95 56.29 3gxf s SER 488 Cb -0.10 0.25 -0.01 0.00 0.10 0.00 0.00 66.02 66.26 3gxf s SER 488 CO 0.87 -0.52 -0.19 -0.51 0.98 0.00 0.00 173.24 173.87 3gxf s ILE 489 N -2.50 1.52 0.01 -1.02 2.07 -0.52 -0.30 121.20 120.48 3gxf s ILE 489 Ca -0.06 -0.81 0.04 0.00 -1.41 0.00 0.00 60.65 58.41 3gxf s ILE 489 Cb -0.02 -1.28 -0.01 0.00 0.13 0.00 0.00 42.46 41.28 3gxf s ILE 489 CO -0.04 0.43 -0.12 -1.00 -1.91 0.00 0.00 174.94 172.30 3gxf s HIS 490 N -0.34 1.07 -0.04 3.50 3.76 -0.35 -1.25 115.29 121.64 3gxf s HIS 490 Ca 0.05 -0.28 0.07 0.00 -0.15 0.00 0.00 55.06 54.75 3gxf s HIS 490 Cb -0.09 -0.66 -0.02 0.00 1.11 0.00 0.00 32.58 32.93 3gxf s HIS 490 CO 0.00 0.00 -0.25 0.99 -0.85 0.00 0.00 174.74 174.63 3gxf s THR 491 N -0.57 2.11 -0.08 1.30 2.01 -0.56 -1.27 115.64 118.57 3gxf s THR 491 Ca 0.02 -1.07 0.04 0.00 0.31 0.00 0.00 61.69 60.99 3gxf s THR 491 Cb -0.06 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.69 3gxf s THR 491 CO 0.00 0.58 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.99 3gxf s TYR 492 N -0.39 2.59 -0.03 4.92 1.51 -0.20 -0.45 117.35 125.30 3gxf s TYR 492 Ca 0.03 -0.71 0.03 0.00 -1.01 0.00 0.00 57.07 55.41 3gxf s TYR 492 Cb -0.12 -1.69 -0.00 0.00 -0.11 0.00 0.00 41.96 40.04 3gxf s TYR 492 CO 0.01 -0.22 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.60 3gxf s LEU 493 N 0.01 1.87 -0.04 -1.29 1.02 -0.51 -1.09 118.68 118.64 3gxf s LEU 493 Ca -0.07 -0.26 -0.18 0.00 0.02 0.00 0.00 54.13 53.64 3gxf s LEU 493 Cb -0.15 -0.73 0.03 0.00 0.02 0.00 0.00 46.19 45.36 3gxf s LEU 493 CO 0.05 0.11 0.40 -1.66 0.02 0.00 0.00 176.35 175.27 3gxf s TRP 494 N 0.07 -0.32 0.52 0.29 -2.14 -0.90 -0.03 118.94 116.44 3gxf s TRP 494 Ca -0.02 0.56 -0.19 0.00 2.66 0.00 0.00 56.10 59.11 3gxf s TRP 494 Cb -0.09 0.17 -0.07 0.00 -3.10 0.00 0.00 33.47 30.37 3gxf s TRP 494 CO 0.01 -0.41 1.06 -1.01 -2.66 0.00 0.00 176.95 173.94 3gxf s HIS 495 N -1.06 2.94 -0.03 1.66 3.76 -1.26 -1.41 115.29 119.89 3gxf s HIS 495 Ca -0.11 1.56 0.04 0.00 -0.15 0.00 0.00 55.06 56.40 3gxf s HIS 495 Cb -0.04 -3.09 -0.06 0.00 1.11 0.00 0.00 32.58 30.50 3gxf s HIS 495 CO 0.05 -1.02 0.05 0.54 -0.85 0.00 0.00 174.74 173.50 3gxf n ARG 496 N -1.28 2.22 0.00 1.40 1.74 -1.26 -4.70 116.66 114.78 3gxf n ARG 496 Ca 0.10 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3gxf n ARG 496 Cb 0.52 -1.11 0.00 0.00 -1.02 0.00 0.00 32.46 30.85 3gxf n ARG 496 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11