#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gdn s ALA 2 N 0.00 3.66 -0.09 -1.18 0.00 0.46 -4.58 121.76 120.02 3gdn s ALA 2 Ca 0.00 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 50.74 3gdn s ALA 2 Cb 0.00 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.87 3gdn s ALA 2 CO 0.00 -0.97 -0.12 0.99 0.00 0.00 0.00 175.76 175.66 3gdn s THR 3 N -2.94 3.18 0.05 0.00 2.01 -1.26 -4.71 115.64 111.98 3gdn s THR 3 Ca 0.59 -0.65 -0.37 0.00 0.31 0.00 0.00 61.69 61.57 3gdn s THR 3 Cb -0.10 -2.30 -0.19 0.00 0.01 0.00 0.00 72.50 69.92 3gdn s THR 3 CO 0.41 0.56 1.01 0.41 -0.69 0.00 0.00 174.62 176.32 3gdn n THR 4 N 2.89 0.37 -3.80 -0.82 -1.04 -1.26 -4.95 114.28 105.67 3gdn n THR 4 Ca -0.18 -0.09 -0.04 0.00 -2.04 0.00 0.00 64.05 61.70 3gdn n THR 4 Cb 0.52 -0.12 -0.00 0.00 -1.82 0.00 0.00 70.33 68.91 3gdn n THR 4 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3gdn s SER 5 N -0.12 -0.12 0.70 8.00 1.04 -1.26 -5.07 113.70 116.87 3gdn s SER 5 Ca 0.85 -0.54 -0.13 0.00 0.48 0.00 0.00 55.95 56.62 3gdn s SER 5 Cb -1.16 0.53 0.02 0.00 0.10 0.00 0.00 66.02 65.50 3gdn s SER 5 CO 0.56 -1.00 1.09 -1.81 0.98 0.00 0.00 173.24 173.05 3gdn s ASP 6 N -3.07 5.02 0.07 7.02 1.01 -1.26 -4.92 116.67 120.54 3gdn s ASP 6 Ca 0.15 1.84 -0.31 0.00 0.71 0.00 0.00 52.55 54.94 3gdn s ASP 6 Cb -0.02 -2.53 -0.09 0.00 1.01 0.00 0.00 42.92 41.29 3gdn s ASP 6 CO 0.04 -1.69 1.77 -2.28 0.21 0.00 0.00 175.17 173.22 3gdn s HIS 7 N -2.70 2.09 -0.59 4.23 2.46 -1.26 -4.90 115.29 114.62 3gdn s HIS 7 Ca 0.63 0.06 -0.28 0.00 0.47 0.00 0.00 55.06 55.94 3gdn s HIS 7 Cb -0.17 -4.08 0.02 0.00 -0.13 0.00 0.00 32.58 28.22 3gdn s HIS 7 CO 0.49 -4.49 1.34 0.34 -2.47 0.00 0.00 174.74 169.95 3gdn s ASP 8 N 2.95 6.21 -0.38 9.88 -1.08 -1.26 -4.89 116.67 128.11 3gdn s ASP 8 Ca 0.79 0.15 0.06 0.00 -0.52 0.00 0.00 52.55 53.03 3gdn s ASP 8 Cb -0.42 -2.55 0.63 0.00 -1.46 0.00 0.00 42.92 39.13 3gdn s ASP 8 CO 0.35 -1.67 1.77 0.49 0.52 0.00 0.00 175.17 176.63 3gdn n PHE 9 N 9.27 2.39 0.12 -5.34 3.01 -1.26 -4.61 117.46 121.05 3gdn n PHE 9 Ca 0.10 -1.67 0.06 0.00 1.01 0.00 0.00 57.45 56.95 3gdn n PHE 9 Cb 0.49 -0.77 0.52 0.00 -0.01 0.00 0.00 39.48 39.71 3gdn n PHE 9 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3gdn h SER 10 N 1.26 0.25 0.09 4.37 0.02 -1.98 -1.89 113.55 115.67 3gdn h SER 10 Ca 0.46 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 3gdn h SER 10 Cb 2.43 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.91 3gdn h SER 10 CO 0.84 0.19 0.00 0.00 -1.14 0.00 0.00 176.83 176.72 3gdn n TYR 11 N -4.49 0.38 0.28 3.45 0.18 -1.26 -2.30 117.16 113.39 3gdn n TYR 11 Ca 0.00 0.19 0.18 0.00 1.88 0.00 0.00 57.90 60.16 3gdn n TYR 11 Cb 0.08 -0.81 0.97 0.00 -0.38 0.00 0.00 39.34 39.20 3gdn n TYR 11 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 3gdn h LEU 12 N 0.00 0.00 -2.01 -3.48 3.38 -1.72 -1.14 115.31 110.34 3gdn h LEU 12 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3gdn h LEU 12 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3gdn h LEU 12 CO 0.00 0.00 -0.09 0.77 0.09 0.00 0.00 178.44 179.21 3gdn h SER 13 N 0.00 0.00 0.00 -0.43 4.64 -1.70 -2.78 113.55 113.27 3gdn h SER 13 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3gdn h SER 13 Cb 0.02 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.08 3gdn h SER 13 CO 0.00 0.09 -0.38 2.22 -0.87 0.00 0.00 176.83 177.89 3gdn n PHE 14 N -3.60 0.00 -3.82 4.77 1.16 -0.44 -5.01 117.46 110.52 3gdn n PHE 14 Ca -0.02 -1.13 -0.35 0.00 -1.87 0.00 0.00 57.45 54.08 3gdn n PHE 14 Cb 0.21 -0.19 -0.09 0.00 -1.61 0.00 0.00 39.48 37.81 3gdn n PHE 14 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3gdn s ALA 15 N -2.58 3.60 0.11 1.98 0.00 -1.05 -0.99 121.76 122.82 3gdn s ALA 15 Ca 0.33 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.63 3gdn s ALA 15 Cb 0.32 -2.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 3gdn s ALA 15 CO -0.04 0.17 -0.13 0.71 0.00 0.00 0.00 175.76 176.47 3gdn s TYR 16 N 0.36 1.25 0.21 0.00 2.02 0.33 -4.95 117.35 116.57 3gdn s TYR 16 Ca 0.06 -0.58 -0.20 0.00 -0.37 0.00 0.00 57.07 55.99 3gdn s TYR 16 Cb -0.11 -0.67 -0.08 0.00 -0.40 0.00 0.00 41.96 40.70 3gdn s TYR 16 CO -0.01 0.08 0.72 0.34 -1.57 0.00 0.00 175.55 175.11 3gdn s ASP 17 N -2.34 7.09 0.42 2.29 -1.08 -1.26 -0.44 116.67 121.34 3gdn s ASP 17 Ca 0.06 1.43 0.21 0.00 -0.52 0.00 0.00 52.55 53.74 3gdn s ASP 17 Cb -0.05 -2.42 1.18 0.00 -1.46 0.00 0.00 42.92 40.16 3gdn s ASP 17 CO 0.02 0.05 1.78 0.00 0.52 0.00 0.00 175.17 177.54 3gdn h ALA 18 N 3.52 2.37 0.00 3.66 0.00 -1.48 0.23 119.26 127.55 3gdn h ALA 18 Ca -0.48 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 3gdn h ALA 18 Cb 1.19 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3gdn h ALA 18 CO 0.65 -0.75 -0.27 1.79 0.00 0.00 0.00 179.25 180.67 3gdn h THR 19 N 0.33 1.17 -0.01 0.00 1.35 -1.88 -2.36 112.91 111.51 3gdn h THR 19 Ca 0.58 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 3gdn h THR 19 Cb 1.60 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 3gdn h THR 19 CO -0.24 0.26 -0.13 0.47 -0.25 0.00 0.00 175.52 175.63 3gdn n ASP 20 N -4.18 1.35 -4.87 5.36 8.00 0.77 -4.89 116.55 118.08 3gdn n ASP 20 Ca -0.02 -1.24 -0.30 0.00 0.71 0.00 0.00 54.79 53.94 3gdn n ASP 20 Cb 0.32 0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.48 3gdn n ASP 20 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gdn s LEU 21 N -2.24 3.55 0.72 0.64 1.43 -0.89 -4.93 118.68 116.96 3gdn s LEU 21 Ca 0.31 1.27 -0.15 0.00 -1.03 0.00 0.00 54.13 54.53 3gdn s LEU 21 Cb 0.20 -4.23 0.03 0.00 0.03 0.00 0.00 46.19 42.22 3gdn s LEU 21 CO 0.42 -0.63 1.20 -1.83 0.23 0.00 0.00 176.35 175.75 3gdn s GLU 22 N -4.52 2.22 0.25 1.70 1.03 -1.26 -4.92 118.70 113.20 3gdn s GLU 22 Ca 0.53 1.74 0.05 0.00 0.03 0.00 0.00 54.97 57.32 3gdn s GLU 22 Cb -0.10 -1.85 0.29 0.00 -0.80 0.00 0.00 34.13 31.67 3gdn s GLU 22 CO 0.42 -1.77 1.58 -0.07 -1.33 0.00 0.00 175.26 174.09 3gdn h LEU 23 N -0.22 0.24 -7.31 1.83 3.38 -1.94 -3.42 115.31 107.87 3gdn h LEU 23 Ca -0.48 -0.14 -0.37 0.00 0.09 0.00 0.00 57.88 56.99 3gdn h LEU 23 Cb 1.29 -0.07 -0.39 0.00 0.09 0.00 0.00 40.66 41.58 3gdn h LEU 23 CO 0.50 0.77 -0.74 -0.70 0.09 0.00 0.00 178.44 178.36 3gdn s GLU 24 N -3.80 -0.08 0.11 1.13 2.12 -1.26 -0.97 118.70 115.96 3gdn s GLU 24 Ca -0.04 0.37 0.04 0.00 0.36 0.00 0.00 54.97 55.71 3gdn s GLU 24 Cb 0.12 -0.53 -0.04 0.00 0.26 0.00 0.00 34.13 33.95 3gdn s GLU 24 CO 0.79 -0.33 -0.11 0.20 -0.54 0.00 0.00 175.26 175.27 3gdn s GLY 25 N 2.17 0.94 -0.07 -1.50 0.00 -0.34 -5.01 107.32 103.51 3gdn s GLY 25 Ca 0.05 -1.28 0.04 0.00 0.00 0.00 0.00 44.72 43.53 3gdn s GLY 25 CO -0.03 -1.35 -0.19 -0.45 0.00 0.00 0.00 173.10 171.08 3gdn s SER 26 N -2.61 2.46 0.23 1.64 0.15 -1.26 -0.42 113.70 113.89 3gdn s SER 26 Ca 0.09 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.32 3gdn s SER 26 Cb -0.02 -0.94 -0.04 0.00 -1.71 0.00 0.00 66.02 63.31 3gdn s SER 26 CO 0.01 0.14 0.17 -0.31 1.20 0.00 0.00 173.24 174.45 3gdn s TYR 27 N 0.27 1.25 -0.02 3.44 1.51 0.27 -4.95 117.35 119.12 3gdn s TYR 27 Ca -0.11 -1.41 -0.16 0.00 -1.01 0.00 0.00 57.07 54.37 3gdn s TYR 27 Cb -0.15 -0.56 -0.33 0.00 -0.11 0.00 0.00 41.96 40.81 3gdn s TYR 27 CO 0.05 -0.70 0.87 -0.44 -1.11 0.00 0.00 175.55 174.21 3gdn h ASP 28 N 2.51 0.68 -3.80 2.29 3.32 -1.28 0.42 116.42 120.56 3gdn h ASP 28 Ca -0.33 -0.93 -0.29 0.00 0.02 0.00 0.00 57.03 55.50 3gdn h ASP 28 Cb 1.25 -0.22 -0.29 0.00 0.22 0.00 0.00 39.33 40.29 3gdn h ASP 28 CO 0.49 1.65 -0.74 -0.31 -1.72 0.00 0.00 179.24 178.61 3gdn s TYR 29 N -2.54 0.26 -0.18 4.55 1.51 -0.85 -2.04 117.35 118.06 3gdn s TYR 29 Ca -0.12 -0.04 0.01 0.00 -1.01 0.00 0.00 57.07 55.90 3gdn s TYR 29 Cb 0.04 -0.19 0.02 0.00 -0.11 0.00 0.00 41.96 41.72 3gdn s TYR 29 CO 0.89 -0.02 -0.18 0.08 -1.11 0.00 0.00 175.55 175.21 3gdn s VAL 30 N 0.03 1.98 -0.24 0.71 1.01 -0.96 -1.47 120.40 121.47 3gdn s VAL 30 Ca 0.00 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 60.93 3gdn s VAL 30 Cb -0.02 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 3gdn s VAL 30 CO -0.00 0.46 0.12 -0.63 0.00 0.00 0.00 175.10 175.05 3gdn s ILE 31 N 1.31 4.99 -0.42 2.22 -1.09 0.32 -1.15 121.20 127.37 3gdn s ILE 31 Ca 0.03 0.05 -0.17 0.00 -2.23 0.00 0.00 60.65 58.34 3gdn s ILE 31 Cb -0.14 -3.32 0.02 0.00 -1.58 0.00 0.00 42.46 37.44 3gdn s ILE 31 CO -0.12 0.35 0.43 -0.69 -1.23 0.00 0.00 174.94 173.68 3gdn s VAL 32 N 1.16 5.10 0.00 2.92 1.01 -0.09 -1.11 120.40 129.39 3gdn s VAL 32 Ca 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3gdn s VAL 32 Cb -0.14 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.21 3gdn s VAL 32 CO 0.05 -0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.35 3gdn n GLY 33 N 5.10 1.00 2.49 4.51 0.00 0.39 -0.16 105.19 118.52 3gdn n GLY 33 Ca -0.07 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 3gdn n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gdn n GLY 34 N 1.81 5.21 0.00 -0.02 0.00 -1.25 -4.27 105.19 106.67 3gdn n GLY 34 Ca 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.95 3gdn n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gdn n GLY 35 N 1.55 1.95 0.13 -0.02 0.00 -1.26 0.13 105.19 107.67 3gdn n GLY 35 Ca 0.61 -1.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.58 3gdn n GLY 35 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3gdn h THR 36 N 0.00 0.73 0.09 2.61 2.02 -1.90 -1.38 112.91 115.08 3gdn h THR 36 Ca 0.00 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 66.87 3gdn h THR 36 Cb 0.00 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 3gdn h THR 36 CO 0.00 0.00 -1.62 0.28 0.37 0.00 0.00 175.52 174.55 3gdn h SER 37 N -0.04 0.31 -0.56 4.18 0.02 -1.86 -3.39 113.55 112.21 3gdn h SER 37 Ca 0.11 -0.49 0.05 0.00 -0.84 0.00 0.00 61.79 60.62 3gdn h SER 37 Cb 0.21 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.60 3gdn h SER 37 CO -0.25 1.42 0.30 1.23 -1.14 0.00 0.00 176.83 178.39 3gdn h GLY 38 N 1.97 0.80 0.80 -3.77 0.00 -1.71 -2.37 103.07 98.80 3gdn h GLY 38 Ca -0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 3gdn h GLY 38 CO 0.13 0.14 -0.09 0.00 0.00 0.00 0.00 176.54 176.72 3gdn h PRO 40 N -0.46 0.02 0.03 0.00 0.13 -1.75 -0.04 132.00 129.93 3gdn h PRO 40 Ca -0.03 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3gdn h PRO 40 Cb 0.35 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.48 3gdn h PRO 40 CO 0.04 0.21 -0.01 1.25 -0.23 0.00 0.00 178.00 179.26 3gdn h LEU 41 N 0.02 -0.03 -0.40 1.56 5.85 -1.28 -1.50 115.31 119.52 3gdn h LEU 41 Ca 0.00 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.46 3gdn h LEU 41 Cb 0.35 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3gdn h LEU 41 CO 0.03 0.26 0.26 0.00 -0.34 0.00 0.00 178.44 178.64 3gdn h ALA 42 N 0.63 0.51 -0.51 1.25 0.00 -0.69 -1.52 119.26 118.93 3gdn h ALA 42 Ca -0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3gdn h ALA 42 Cb 0.31 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3gdn h ALA 42 CO 0.01 -0.05 0.30 0.00 0.00 0.00 0.00 179.25 179.51 3gdn h ALA 43 N 1.16 0.65 -0.08 0.00 0.00 -0.97 -1.12 119.26 118.88 3gdn h ALA 43 Ca 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3gdn h ALA 43 Cb -0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3gdn h ALA 43 CO -0.05 0.01 0.05 1.15 0.00 0.00 0.00 179.25 180.41 3gdn h THR 44 N 0.61 1.07 -0.39 0.00 2.02 -0.98 -2.76 112.91 112.49 3gdn h THR 44 Ca 0.20 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3gdn h THR 44 Cb 0.01 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3gdn h THR 44 CO -0.09 0.06 0.12 -0.07 0.37 0.00 0.00 175.52 175.92 3gdn h LEU 45 N 0.05 0.51 -0.28 2.58 3.38 -1.09 -1.97 115.31 118.48 3gdn h LEU 45 Ca 0.03 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3gdn h LEU 45 Cb 0.06 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3gdn h LEU 45 CO -0.00 0.49 0.00 -1.54 0.09 0.00 0.00 178.44 177.47 3gdn n SER 46 N -4.36 0.18 0.31 -0.43 3.41 -0.44 -1.35 113.62 110.94 3gdn n SER 46 Ca 0.02 0.56 0.19 0.00 -0.26 0.00 0.00 58.87 59.38 3gdn n SER 46 Cb 0.17 -0.59 1.01 0.00 -0.26 0.00 0.00 64.21 64.54 3gdn n SER 46 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3gdn h GLU 47 N 0.00 0.00 0.00 4.33 5.08 -1.30 -3.34 114.58 119.35 3gdn h GLU 47 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gdn h GLU 47 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3gdn h GLU 47 CO 0.00 0.02 -0.20 1.63 -1.00 0.00 0.00 179.01 179.46 3gdn n LYS 48 N -3.40 1.54 -4.57 2.33 5.02 -0.94 -4.96 118.16 113.18 3gdn n LYS 48 Ca -0.03 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.00 3gdn n LYS 48 Cb 0.12 -0.60 -0.11 0.00 -0.02 0.00 0.00 35.03 34.42 3gdn n LYS 48 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3gdn s TYR 49 N -1.05 2.47 -0.25 2.13 1.51 -0.45 -5.10 117.35 116.61 3gdn s TYR 49 Ca 0.00 -0.58 -0.29 0.00 -1.01 0.00 0.00 57.07 55.19 3gdn s TYR 49 Cb 0.00 -1.59 0.01 0.00 -0.11 0.00 0.00 41.96 40.27 3gdn s TYR 49 CO 0.00 0.51 1.05 0.15 -1.11 0.00 0.00 175.55 176.15 3gdn s LYS 50 N -3.67 4.22 -0.00 -0.62 -0.14 -1.26 -4.06 119.74 114.21 3gdn s LYS 50 Ca 0.34 1.31 0.07 0.00 -1.36 0.00 0.00 55.97 56.33 3gdn s LYS 50 Cb 0.06 -3.66 -0.02 0.00 -1.68 0.00 0.00 37.83 32.53 3gdn s LYS 50 CO 0.17 -0.68 -0.22 0.08 -0.76 0.00 0.00 175.35 173.94 3gdn s VAL 51 N 3.29 1.78 -0.11 3.17 1.01 -0.26 -0.85 120.40 128.42 3gdn s VAL 51 Ca 0.44 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.41 3gdn s VAL 51 Cb -0.15 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.75 3gdn s VAL 51 CO 0.08 0.44 -0.17 -0.22 0.00 0.00 0.00 175.10 175.23 3gdn s LEU 52 N -0.69 1.81 -0.17 3.92 2.96 -0.54 -1.42 118.68 124.55 3gdn s LEU 52 Ca 0.09 -0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 53.49 3gdn s LEU 52 Cb -0.09 -1.16 -0.03 0.00 0.50 0.00 0.00 46.19 45.41 3gdn s LEU 52 CO -0.00 0.03 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.35 3gdn s VAL 53 N 0.92 3.98 -0.26 1.68 1.01 -0.17 -0.52 120.40 127.05 3gdn s VAL 53 Ca -0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 3gdn s VAL 53 Cb -0.15 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.49 3gdn s VAL 53 CO -0.01 0.47 -0.04 -0.76 0.00 0.00 0.00 175.10 174.76 3gdn s LEU 54 N 0.52 3.35 -0.09 3.92 1.43 -0.26 0.11 118.68 127.65 3gdn s LEU 54 Ca -0.02 -0.92 0.03 0.00 -1.03 0.00 0.00 54.13 52.19 3gdn s LEU 54 Cb -0.14 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 3gdn s LEU 54 CO 0.02 -0.15 -0.20 -0.70 0.23 0.00 0.00 176.35 175.55 3gdn s GLU 55 N 1.33 2.95 0.24 1.70 2.56 0.67 -0.46 118.70 127.69 3gdn s GLU 55 Ca -0.01 -0.81 0.06 0.00 0.00 0.00 0.00 54.97 54.22 3gdn s GLU 55 Cb -0.17 -2.37 0.26 0.00 2.00 0.00 0.00 34.13 33.85 3gdn s GLU 55 CO -0.03 0.29 1.56 0.07 -0.56 0.00 0.00 175.26 176.59 3gdn h ARG 56 N 6.38 0.15 0.00 4.30 0.11 -1.73 0.25 114.38 123.84 3gdn h ARG 56 Ca -0.27 -0.11 -0.24 0.00 0.10 0.00 0.00 59.98 59.46 3gdn h ARG 56 Cb 1.21 0.02 0.09 0.00 1.11 0.00 0.00 29.97 32.40 3gdn h ARG 56 CO 0.50 0.73 0.22 0.41 0.10 0.00 0.00 179.97 181.93 3gdn n GLY 57 N 0.31 -1.19 3.99 0.08 0.00 -1.26 -3.27 105.19 103.84 3gdn n GLY 57 Ca -0.02 -1.71 -0.24 0.00 0.00 0.00 0.00 46.02 44.05 3gdn n GLY 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gdn s SER 58 N -3.63 4.22 0.46 1.61 0.01 -1.26 -1.14 113.70 113.97 3gdn s SER 58 Ca 0.41 -0.31 -0.21 0.00 1.31 0.00 0.00 55.95 57.15 3gdn s SER 58 Cb -0.01 -0.03 -0.10 0.00 0.21 0.00 0.00 66.02 66.10 3gdn s SER 58 CO 0.29 -1.95 1.00 -0.76 0.41 0.00 0.00 173.24 172.23 3gdn s LEU 59 N -5.21 3.90 0.51 2.44 1.43 -1.26 -1.03 118.68 119.44 3gdn s LEU 59 Ca 0.67 1.83 0.24 0.00 -1.03 0.00 0.00 54.13 55.84 3gdn s LEU 59 Cb -0.05 -4.54 1.32 0.00 0.03 0.00 0.00 46.19 42.95 3gdn s LEU 59 CO 0.45 -0.60 1.97 -0.65 0.23 0.00 0.00 176.35 177.75 3gdn h PRO 60 N 1.74 0.10 0.00 1.29 0.11 -1.93 -0.19 132.00 133.12 3gdn h PRO 60 Ca -0.49 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 3gdn h PRO 60 Cb 1.20 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3gdn h PRO 60 CO 0.60 0.07 -0.02 1.79 -0.21 0.00 0.00 178.00 180.23 3gdn h THR 61 N 0.10 0.22 0.00 -1.15 1.35 -1.98 -1.56 112.91 109.89 3gdn h THR 61 Ca 0.30 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 3gdn h THR 61 Cb 1.05 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 3gdn h THR 61 CO -0.03 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 175.26 3gdn h ALA 62 N 1.98 1.00 -2.52 6.62 0.00 -1.39 -3.35 119.26 121.60 3gdn h ALA 62 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 3gdn h ALA 62 Cb 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.51 3gdn h ALA 62 CO 0.00 0.00 -0.90 0.71 0.00 0.00 0.00 179.25 179.06 3gdn s TYR 63 N -3.66 1.21 0.38 0.00 1.51 -0.59 -5.02 117.35 111.18 3gdn s TYR 63 Ca 0.01 -2.20 0.20 0.00 -1.01 0.00 0.00 57.07 54.07 3gdn s TYR 63 Cb 0.09 -1.10 1.22 0.00 -0.11 0.00 0.00 41.96 42.06 3gdn s TYR 63 CO 0.54 -0.81 1.65 -1.35 -1.11 0.00 0.00 175.55 174.47 3gdn h PRO 64 N 6.08 0.22 0.00 -1.71 0.11 -1.71 -1.88 132.00 133.11 3gdn h PRO 64 Ca 0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3gdn h PRO 64 Cb 0.92 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3gdn h PRO 64 CO 0.37 0.14 0.00 0.09 -0.21 0.00 0.00 178.00 178.40 3gdn n ASN 65 N -4.92 0.00 -0.22 -2.05 3.02 -1.26 -1.03 115.26 108.80 3gdn n ASN 65 Ca 0.33 0.18 0.13 0.00 -0.03 0.00 0.00 54.58 55.19 3gdn n ASN 65 Cb 1.14 -0.30 0.45 0.00 -0.61 0.00 0.00 39.78 40.45 3gdn n ASN 65 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3gdn n VAL 66 N -1.30 0.00 0.90 2.41 0.24 -0.71 -3.96 118.33 115.90 3gdn n VAL 66 Ca 0.04 -0.11 0.12 0.00 -2.04 0.00 0.00 64.34 62.35 3gdn n VAL 66 Cb 0.08 0.26 0.25 0.00 -1.47 0.00 0.00 33.84 32.96 3gdn n VAL 66 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3gdn n LEU 67 N -0.70 2.70 -4.07 1.34 4.77 -0.20 -4.79 117.00 116.06 3gdn n LEU 67 Ca 0.13 -1.03 -0.10 0.00 -0.03 0.00 0.00 56.01 54.98 3gdn n LEU 67 Cb 0.33 -0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.22 3gdn n LEU 67 CO 0.25 0.51 -0.38 0.42 -1.33 0.00 0.00 177.39 176.87 3gdn s THR 68 N -1.81 0.36 0.35 -5.08 -4.23 -1.25 -1.03 115.64 102.95 3gdn s THR 68 Ca 0.34 -1.40 0.08 0.00 -1.18 0.00 0.00 61.69 59.52 3gdn s THR 68 Cb 0.21 -0.97 0.13 0.00 1.34 0.00 0.00 72.50 73.21 3gdn s THR 68 CO 0.31 -0.68 1.86 0.00 -0.54 0.00 0.00 174.62 175.56 3gdn h ALA 69 N 3.87 1.39 0.00 3.99 0.00 -1.24 -2.08 119.26 125.19 3gdn h ALA 69 Ca -0.34 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 3gdn h ALA 69 Cb 1.18 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3gdn h ALA 69 CO 0.52 0.42 -0.01 -0.44 0.00 0.00 0.00 179.25 179.75 3gdn h ASP 70 N 0.29 0.00 -0.06 0.00 3.32 -1.92 -2.45 116.42 115.61 3gdn h ASP 70 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3gdn h ASP 70 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3gdn h ASP 70 CO 0.03 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.17 3gdn n GLY 71 N -1.21 0.44 0.44 2.75 0.00 -0.78 -4.53 105.19 102.31 3gdn n GLY 71 Ca -0.03 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 3gdn n GLY 71 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3gdn h PHE 72 N 3.19 -1.41 -0.75 1.61 3.57 -1.51 -1.89 116.94 119.75 3gdn h PHE 72 Ca 0.00 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 3gdn h PHE 72 Cb 0.68 0.62 -0.03 0.00 2.79 0.00 0.00 35.95 40.01 3gdn h PHE 72 CO 0.03 -0.53 0.26 0.28 -2.23 0.00 0.00 178.31 176.12 3gdn h VAL 73 N -0.59 1.26 -0.38 1.41 2.07 -1.83 -3.10 116.25 115.09 3gdn h VAL 73 Ca 0.04 -0.86 0.08 0.00 0.82 0.00 0.00 66.70 66.78 3gdn h VAL 73 Cb 0.68 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 3gdn h VAL 73 CO -0.38 0.34 -0.09 0.22 0.02 0.00 0.00 177.57 177.68 3gdn h TYR 74 N 1.10 -0.20 -0.94 1.57 3.20 -1.67 -1.16 116.97 118.87 3gdn h TYR 74 Ca 0.25 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.22 3gdn h TYR 74 Cb 0.26 0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.61 3gdn h TYR 74 CO 0.02 -0.16 0.59 -0.91 -1.64 0.00 0.00 178.16 176.06 3gdn h ASN 75 N 0.00 0.92 0.57 -2.11 -0.26 -1.28 -1.32 115.58 112.09 3gdn h ASN 75 Ca 0.18 0.02 -0.10 0.00 -0.56 0.00 0.00 56.30 55.84 3gdn h ASN 75 Cb 0.28 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 3gdn h ASN 75 CO -0.39 0.57 -0.48 -0.07 -1.06 0.00 0.00 177.43 176.00 3gdn h LEU 76 N 1.04 0.00 -0.17 1.61 3.38 -1.36 -3.02 115.31 116.78 3gdn h LEU 76 Ca 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 3gdn h LEU 76 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3gdn h LEU 76 CO -0.19 0.48 -0.07 1.56 0.09 0.00 0.00 178.44 180.31 3gdn h GLN 77 N 0.00 0.00 -6.66 1.13 4.20 -0.15 -0.71 115.11 112.91 3gdn h GLN 77 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 3gdn h GLN 77 Cb 0.89 0.00 0.05 0.00 0.30 0.00 0.00 27.48 28.72 3gdn h GLN 77 CO 0.06 0.07 0.82 -1.14 -0.67 0.00 0.00 178.83 177.96 3gdn s GLN 78 N -3.24 4.24 0.39 1.46 0.74 -0.75 -4.85 119.66 117.65 3gdn s GLN 78 Ca 0.06 2.32 -0.28 0.00 0.05 0.00 0.00 55.36 57.51 3gdn s GLN 78 Cb 0.06 -3.14 -0.11 0.00 1.10 0.00 0.00 33.01 30.92 3gdn s GLN 78 CO 0.67 -0.52 1.50 -1.21 -0.55 0.00 0.00 175.29 175.18 3gdn s GLU 79 N 0.47 4.06 -0.58 1.67 0.41 -1.26 -4.92 118.70 118.54 3gdn s GLU 79 Ca 0.65 2.59 -0.25 0.00 -0.41 0.00 0.00 54.97 57.55 3gdn s GLU 79 Cb -0.42 -2.94 0.04 0.00 -1.78 0.00 0.00 34.13 29.03 3gdn s GLU 79 CO 0.37 -0.58 1.03 0.34 -0.49 0.00 0.00 175.26 175.92 3gdn s ASP 80 N -0.15 6.33 -0.07 -0.19 -1.08 -1.26 -4.86 116.67 115.39 3gdn s ASP 80 Ca 0.54 -0.32 0.20 0.00 -0.52 0.00 0.00 52.55 52.44 3gdn s ASP 80 Cb -0.47 -2.47 0.69 0.00 -1.46 0.00 0.00 42.92 39.21 3gdn s ASP 80 CO 0.63 -1.36 1.59 -0.90 0.52 0.00 0.00 175.17 175.66 3gdn n ASP 81 N 7.86 4.46 0.00 -0.34 5.68 -1.26 -4.92 116.55 128.03 3gdn n ASP 81 Ca 0.03 -2.29 0.00 0.00 -0.50 0.00 0.00 54.79 52.02 3gdn n ASP 81 Cb 0.48 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 3gdn n ASP 81 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gdn n GLY 82 N 1.28 1.83 0.00 6.12 0.00 -1.26 -4.78 105.19 108.38 3gdn n GLY 82 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3gdn n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gdn n LYS 83 N -2.00 1.74 -1.30 1.61 4.76 -1.26 -5.07 118.16 116.64 3gdn n LYS 83 Ca 0.00 -0.01 -0.35 0.00 -2.87 0.00 0.00 58.31 55.08 3gdn n LYS 83 Cb 0.00 -1.03 0.09 0.00 -1.84 0.00 0.00 35.03 32.25 3gdn n LYS 83 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3gdn n THR 84 N -1.77 2.49 0.31 -0.18 -2.24 -1.26 -4.64 114.28 106.98 3gdn n THR 84 Ca -0.01 -0.35 0.15 0.00 -2.27 0.00 0.00 64.05 61.56 3gdn n THR 84 Cb 0.26 -1.04 0.67 0.00 -2.10 0.00 0.00 70.33 68.12 3gdn n THR 84 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3gdn h PRO 85 N -0.37 0.00 -4.59 -0.78 0.13 -1.95 -3.40 132.00 121.04 3gdn h PRO 85 Ca -0.47 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.96 3gdn h PRO 85 Cb 1.33 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.16 3gdn h PRO 85 CO 0.46 0.00 -0.57 0.08 -0.23 0.00 0.00 178.00 177.73 3gdn s VAL 86 N -3.58 3.64 -0.15 1.56 1.01 -1.26 -0.51 120.40 121.11 3gdn s VAL 86 Ca 0.01 -1.46 -0.19 0.00 0.00 0.00 0.00 61.98 60.33 3gdn s VAL 86 Cb 0.09 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 3gdn s VAL 86 CO 0.39 -0.37 0.53 -0.70 0.00 0.00 0.00 175.10 174.95 3gdn s GLU 87 N 1.32 4.28 0.15 2.72 2.12 -0.06 -4.77 118.70 124.47 3gdn s GLU 87 Ca 0.01 0.49 -0.12 0.00 0.36 0.00 0.00 54.97 55.71 3gdn s GLU 87 Cb -0.21 -3.50 -0.07 0.00 0.26 0.00 0.00 34.13 30.61 3gdn s GLU 87 CO 0.00 -0.00 0.52 1.03 -0.54 0.00 0.00 175.26 176.27 3gdn s ARG 88 N 1.14 3.89 0.15 4.30 0.52 -1.26 -1.47 118.95 126.22 3gdn s ARG 88 Ca 0.27 0.37 -0.19 0.00 -0.52 0.00 0.00 55.73 55.66 3gdn s ARG 88 Cb -0.15 -2.88 0.05 0.00 0.52 0.00 0.00 34.95 32.49 3gdn s ARG 88 CO 0.11 0.46 0.50 -0.59 0.02 0.00 0.00 175.30 175.80 3gdn s PHE 89 N -1.54 -0.33 -0.08 -0.53 -0.12 -0.59 -4.98 117.98 109.81 3gdn s PHE 89 Ca 0.39 0.05 0.01 0.00 -0.05 0.00 0.00 56.93 57.34 3gdn s PHE 89 Cb -0.14 0.41 0.02 0.00 -0.63 0.00 0.00 43.02 42.68 3gdn s PHE 89 CO 0.19 -0.80 -0.10 0.08 -0.05 0.00 0.00 175.22 174.55 3gdn s VAL 90 N -3.79 1.03 0.81 -2.49 1.01 -1.26 -0.26 120.40 115.45 3gdn s VAL 90 Ca 0.03 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 3gdn s VAL 90 Cb 0.00 -0.99 0.08 0.00 0.00 0.00 0.00 36.38 35.47 3gdn s VAL 90 CO -0.11 0.35 1.09 -0.94 0.00 0.00 0.00 175.10 175.49 3gdn s SER 91 N 1.08 4.23 0.41 3.32 1.04 -0.85 -4.77 113.70 118.15 3gdn s SER 91 Ca -0.07 1.62 0.28 0.00 0.48 0.00 0.00 55.95 58.26 3gdn s SER 91 Cb -0.14 -2.34 1.43 0.00 0.10 0.00 0.00 66.02 65.07 3gdn s SER 91 CO -0.01 -2.18 1.86 -0.08 0.98 0.00 0.00 173.24 173.81 3gdn h GLU 92 N -1.23 0.00 0.00 4.02 4.81 -0.88 0.12 114.58 121.42 3gdn h GLU 92 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3gdn h GLU 92 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3gdn h GLU 92 CO 0.54 0.00 0.00 -0.44 -0.73 0.00 0.00 179.01 178.38 3gdn h ASP 93 N 0.00 0.00 0.00 1.04 5.19 -1.90 -3.47 116.42 117.28 3gdn h ASP 93 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3gdn h ASP 93 Cb 0.14 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.65 3gdn h ASP 93 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 3gdn n GLY 94 N 0.56 0.84 3.56 2.75 0.00 0.43 -5.08 105.19 108.26 3gdn n GLY 94 Ca 0.03 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 3gdn n GLY 94 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gdn s ILE 95 N -2.00 4.95 0.50 -0.61 -1.09 -1.25 -4.85 121.20 116.86 3gdn s ILE 95 Ca 0.00 0.04 -0.23 0.00 -2.23 0.00 0.00 60.65 58.24 3gdn s ILE 95 Cb 0.00 -3.32 -0.06 0.00 -1.58 0.00 0.00 42.46 37.50 3gdn s ILE 95 CO 0.00 0.32 1.31 -1.81 -1.23 0.00 0.00 174.94 173.52 3gdn s ASP 96 N 1.46 5.64 0.31 3.58 1.01 -0.70 -2.01 116.67 125.96 3gdn s ASP 96 Ca 0.06 2.64 -0.13 0.00 0.71 0.00 0.00 52.55 55.83 3gdn s ASP 96 Cb -0.15 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.17 3gdn s ASP 96 CO 0.07 -1.31 0.62 0.21 0.21 0.00 0.00 175.17 174.97 3gdn s ASN 97 N -1.01 0.10 0.09 0.27 3.84 0.65 -4.57 114.94 114.31 3gdn s ASN 97 Ca 0.67 -1.03 -0.12 0.00 0.21 0.00 0.00 52.86 52.60 3gdn s ASN 97 Cb -0.37 0.71 0.01 0.00 -0.55 0.00 0.00 41.25 41.05 3gdn s ASN 97 CO 0.45 -1.38 0.27 0.68 -2.79 0.00 0.00 177.10 174.33 3gdn s VAL 98 N -3.30 0.11 0.02 -5.21 -7.23 -1.26 -1.54 120.40 102.00 3gdn s VAL 98 Ca 0.19 -0.92 -0.07 0.00 -1.81 0.00 0.00 61.98 59.38 3gdn s VAL 98 Cb -0.03 -1.23 -0.00 0.00 0.56 0.00 0.00 36.38 35.68 3gdn s VAL 98 CO 0.11 -0.51 0.13 0.00 -0.31 0.00 0.00 175.10 174.52 3gdn s ARG 99 N -3.67 0.56 0.58 4.82 1.70 -0.54 -4.98 118.95 117.43 3gdn s ARG 99 Ca 0.03 -0.60 -0.17 0.00 -0.47 0.00 0.00 55.73 54.52 3gdn s ARG 99 Cb 0.03 0.23 -0.04 0.00 -0.57 0.00 0.00 34.95 34.60 3gdn s ARG 99 CO -0.10 -0.14 1.09 0.20 -1.08 0.00 0.00 175.30 175.26 3gdn s GLY 100 N -1.83 2.32 -0.44 3.88 0.00 -1.26 -0.88 107.32 109.11 3gdn s GLY 100 Ca -0.09 0.58 0.07 0.00 0.00 0.00 0.00 44.72 45.28 3gdn s GLY 100 CO -0.02 0.92 0.64 -2.13 0.00 0.00 0.00 173.10 172.51 3gdn n ARG 101 N -1.80 0.63 -3.56 2.90 0.63 0.34 -4.73 116.66 111.07 3gdn n ARG 101 Ca 0.10 -2.58 -0.07 0.00 -0.92 0.00 0.00 57.85 54.39 3gdn n ARG 101 Cb 0.52 -1.40 -0.02 0.00 0.45 0.00 0.00 32.46 32.01 3gdn n ARG 101 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3gdn s VAL 102 N -0.11 0.00 0.15 5.15 0.11 -1.26 -3.94 120.40 120.50 3gdn s VAL 102 Ca 0.33 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.07 3gdn s VAL 102 Cb 0.15 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.90 3gdn s VAL 102 CO -0.16 0.00 1.58 -0.22 -3.33 0.00 0.00 175.10 172.97 3gdn s LEU 103 N -2.20 4.37 0.00 2.54 2.96 -0.20 -0.56 118.68 125.59 3gdn s LEU 103 Ca 0.07 2.59 0.00 0.00 -0.22 0.00 0.00 54.13 56.57 3gdn s LEU 103 Cb -0.01 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.09 3gdn s LEU 103 CO -0.06 -0.83 0.00 0.61 -1.32 0.00 0.00 176.35 174.75 3gdn n GLY 104 N 3.79 1.26 7.00 7.98 0.00 0.12 -4.53 105.19 120.81 3gdn n GLY 104 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3gdn n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gdn n GLY 105 N -1.11 0.81 0.12 -0.02 0.00 0.27 -2.99 105.19 102.28 3gdn n GLY 105 Ca 0.00 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.45 3gdn n GLY 105 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gdn n THR 106 N 0.00 0.84 0.39 2.61 -1.04 -1.26 -1.99 114.28 113.82 3gdn n THR 106 Ca 0.00 0.23 0.12 0.00 -2.04 0.00 0.00 64.05 62.36 3gdn n THR 106 Cb 0.00 -1.15 0.49 0.00 -1.82 0.00 0.00 70.33 67.85 3gdn n THR 106 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3gdn n SER 107 N -2.19 0.66 0.06 8.00 3.41 -1.16 -1.86 113.62 120.53 3gdn n SER 107 Ca 0.02 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 3gdn n SER 107 Cb 0.23 -0.81 0.25 0.00 -0.26 0.00 0.00 64.21 63.62 3gdn n SER 107 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3gdn n ILE 108 N -2.24 0.33 -0.29 -1.33 2.08 -0.84 -4.10 119.36 112.98 3gdn n ILE 108 Ca 0.02 -0.22 0.00 0.00 0.56 0.00 0.00 62.75 63.11 3gdn n ILE 108 Cb 0.22 -0.18 0.00 0.00 -0.75 0.00 0.00 39.64 38.93 3gdn n ILE 108 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 3gdn n ILE 109 N -2.02 0.57 -1.81 1.39 -5.35 -0.79 -4.79 119.36 106.55 3gdn n ILE 109 Ca 0.04 -0.64 -0.13 0.00 -0.27 0.00 0.00 62.75 61.75 3gdn n ILE 109 Cb 0.42 0.78 0.08 0.00 -1.74 0.00 0.00 39.64 39.18 3gdn n ILE 109 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3gdn n ASN 110 N -0.28 0.28 -0.38 7.28 0.23 -0.78 -4.97 115.26 116.64 3gdn n ASN 110 Ca 0.00 -1.36 0.03 0.00 -0.53 0.00 0.00 54.58 52.73 3gdn n ASN 110 Cb 0.27 -0.43 0.09 0.00 -2.08 0.00 0.00 39.78 37.63 3gdn n ASN 110 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gdn n ALA 111 N -3.24 2.48 -0.33 -2.53 0.00 -1.26 -4.94 120.51 110.69 3gdn n ALA 111 Ca -0.10 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 52.99 3gdn n ALA 111 Cb 0.28 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3gdn n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gdn n GLY 112 N 0.80 0.80 3.70 0.00 0.00 -1.26 -4.56 105.19 104.67 3gdn n GLY 112 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3gdn n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gdn s VAL 113 N -1.96 2.77 -0.13 1.61 1.01 -1.26 -0.27 120.40 122.17 3gdn s VAL 113 Ca 0.00 0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.41 3gdn s VAL 113 Cb 0.00 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 3gdn s VAL 113 CO 0.00 0.02 -0.17 -0.47 0.00 0.00 0.00 175.10 174.47 3gdn s TYR 114 N 1.87 2.72 -0.01 5.22 5.04 -0.19 -4.75 117.35 127.26 3gdn s TYR 114 Ca 0.73 -0.92 -0.07 0.00 -2.44 0.00 0.00 57.07 54.36 3gdn s TYR 114 Cb -0.42 -1.82 0.00 0.00 0.35 0.00 0.00 41.96 40.07 3gdn s TYR 114 CO 0.32 -0.38 0.14 0.00 -1.34 0.00 0.00 175.55 174.29 3gdn s ALA 115 N 0.52 -0.34 0.41 3.97 0.00 -1.26 -3.17 121.76 121.89 3gdn s ALA 115 Ca -0.11 -0.04 -0.12 0.00 0.00 0.00 0.00 51.96 51.69 3gdn s ALA 115 Cb -0.16 0.05 -0.07 0.00 0.00 0.00 0.00 23.12 22.94 3gdn s ALA 115 CO 0.04 -0.19 0.80 1.03 0.00 0.00 0.00 175.76 177.45 3gdn s ARG 116 N -1.15 3.85 0.63 0.00 0.52 -0.05 -3.91 118.95 118.84 3gdn s ARG 116 Ca -0.12 0.58 -0.17 0.00 -0.52 0.00 0.00 55.73 55.50 3gdn s ARG 116 Cb -0.07 -2.35 -0.02 0.00 0.52 0.00 0.00 34.95 33.03 3gdn s ARG 116 CO 0.01 -0.04 1.18 0.00 0.02 0.00 0.00 175.30 176.47 3gdn s ALA 117 N -2.35 2.46 -0.13 2.13 0.00 -1.26 -3.35 121.76 119.26 3gdn s ALA 117 Ca 0.53 0.88 -0.33 0.00 0.00 0.00 0.00 51.96 53.03 3gdn s ALA 117 Cb -0.10 -3.42 -0.11 0.00 0.00 0.00 0.00 23.12 19.49 3gdn s ALA 117 CO 0.29 -1.29 1.96 -1.71 0.00 0.00 0.00 175.76 175.01 3gdn n ASN 118 N -1.94 3.32 0.05 0.00 2.85 -0.06 -4.60 115.26 114.88 3gdn n ASN 118 Ca 0.13 0.82 0.03 0.00 -0.11 0.00 0.00 54.58 55.46 3gdn n ASN 118 Cb 0.50 -1.39 0.18 0.00 1.24 0.00 0.00 39.78 40.32 3gdn n ASN 118 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3gdn n THR 119 N 5.69 1.68 1.17 -0.44 -2.24 -1.26 -2.13 114.28 116.75 3gdn n THR 119 Ca 0.25 0.55 0.13 0.00 -2.27 0.00 0.00 64.05 62.71 3gdn n THR 119 Cb 0.31 -1.54 0.32 0.00 -2.10 0.00 0.00 70.33 67.32 3gdn n THR 119 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3gdn n SER 120 N -1.71 0.99 0.15 3.42 7.64 -1.26 -4.24 113.62 118.59 3gdn n SER 120 Ca -0.00 -0.81 0.10 0.00 1.01 0.00 0.00 58.87 59.17 3gdn n SER 120 Cb 0.02 0.20 0.06 0.00 -1.01 0.00 0.00 64.21 63.49 3gdn n SER 120 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 3gdn h ILE 121 N 1.02 0.11 -0.73 0.44 3.07 -1.82 -3.37 117.51 116.23 3gdn h ILE 121 Ca 0.00 -1.18 -0.04 0.00 1.55 0.00 0.00 64.86 65.19 3gdn h ILE 121 Cb 0.52 1.82 -0.03 0.00 -0.27 0.00 0.00 36.82 38.85 3gdn h ILE 121 CO 0.00 0.06 0.29 1.88 -1.05 0.00 0.00 178.15 179.33 3gdn h TYR 122 N 0.00 1.11 -0.24 0.16 -1.99 -1.77 -3.33 116.97 110.91 3gdn h TYR 122 Ca -0.01 -0.08 0.06 0.00 2.00 0.00 0.00 58.73 60.70 3gdn h TYR 122 Cb 1.08 -0.33 -0.07 0.00 2.00 0.00 0.00 36.73 39.40 3gdn h TYR 122 CO 0.00 0.84 -0.36 1.03 -0.00 0.00 0.00 178.16 179.67 3gdn h SER 123 N 1.07 -1.15 -1.09 3.88 0.87 -1.86 -3.04 113.55 112.23 3gdn h SER 123 Ca 0.25 0.17 -0.66 0.00 -1.23 0.00 0.00 61.79 60.32 3gdn h SER 123 Cb 0.20 0.50 -0.33 0.00 -0.44 0.00 0.00 62.40 62.33 3gdn h SER 123 CO -0.02 -0.37 0.42 0.00 -0.53 0.00 0.00 176.83 176.33 3gdn n ALA 124 N -2.93 5.99 0.54 6.23 0.00 -1.25 -4.65 120.51 124.44 3gdn n ALA 124 Ca -0.02 -3.67 0.11 0.00 0.00 0.00 0.00 53.44 49.86 3gdn n ALA 124 Cb 0.34 -1.40 0.02 0.00 0.00 0.00 0.00 19.45 18.41 3gdn n ALA 124 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gdn n SER 125 N -0.80 0.61 0.00 0.00 3.41 -1.15 -4.96 113.62 110.73 3gdn n SER 125 Ca 0.56 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 3gdn n SER 125 Cb 0.68 0.79 0.00 0.00 -0.26 0.00 0.00 64.21 65.42 3gdn n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gdn n GLY 126 N 1.36 0.61 3.02 5.00 0.00 -1.26 -4.94 105.19 108.98 3gdn n GLY 126 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 3gdn n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gdn s VAL 127 N -2.17 0.98 -0.58 1.61 1.01 -1.26 -4.21 120.40 115.78 3gdn s VAL 127 Ca 0.00 -0.43 -0.22 0.00 0.00 0.00 0.00 61.98 61.33 3gdn s VAL 127 Cb 0.00 -0.88 0.06 0.00 0.00 0.00 0.00 36.38 35.55 3gdn s VAL 127 CO 0.00 0.31 0.87 -1.81 0.00 0.00 0.00 175.10 174.46 3gdn s ASP 128 N 0.40 6.25 0.17 3.32 1.01 -1.26 -4.86 116.67 121.70 3gdn s ASP 128 Ca -0.08 -0.76 -0.30 0.00 0.71 0.00 0.00 52.55 52.12 3gdn s ASP 128 Cb -0.12 -2.39 -0.07 0.00 1.01 0.00 0.00 42.92 41.35 3gdn s ASP 128 CO 0.02 -1.22 0.97 0.26 0.21 0.00 0.00 175.17 175.40 3gdn s TRP 129 N 3.63 3.86 -0.80 4.23 0.52 -1.26 -4.99 118.94 124.12 3gdn s TRP 129 Ca 0.23 1.83 -0.20 0.00 0.02 0.00 0.00 56.10 57.98 3gdn s TRP 129 Cb -0.16 -3.05 0.11 0.00 -1.15 0.00 0.00 33.47 29.23 3gdn s TRP 129 CO 0.14 0.23 1.01 0.34 0.02 0.00 0.00 176.95 178.69 3gdn s ASP 130 N -0.45 6.45 0.52 2.95 -1.08 -1.26 -4.89 116.67 118.91 3gdn s ASP 130 Ca 0.45 -1.70 0.20 0.00 -0.52 0.00 0.00 52.55 50.98 3gdn s ASP 130 Cb -0.25 -2.38 1.35 0.00 -1.46 0.00 0.00 42.92 40.18 3gdn s ASP 130 CO 0.31 -1.15 2.13 0.24 0.52 0.00 0.00 175.17 177.21 3gdn h MET 131 N 9.04 0.00 -0.38 4.34 2.86 -1.99 0.20 114.93 129.01 3gdn h MET 131 Ca -0.03 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 3gdn h MET 131 Cb 1.05 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 3gdn h MET 131 CO 1.11 0.06 -0.09 -0.44 1.06 0.00 0.00 176.91 178.62 3gdn h ASP 132 N 0.00 0.74 -0.46 1.22 3.32 -2.00 -2.26 116.42 116.98 3gdn h ASP 132 Ca -0.00 -0.36 -0.08 0.00 0.02 0.00 0.00 57.03 56.61 3gdn h ASP 132 Cb 0.12 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3gdn h ASP 132 CO 0.01 0.93 -0.03 0.25 -1.72 0.00 0.00 179.24 178.67 3gdn h LEU 133 N 0.54 0.82 -0.16 1.55 5.85 -1.72 -1.41 115.31 120.78 3gdn h LEU 133 Ca 0.10 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.54 3gdn h LEU 133 Cb 0.60 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 3gdn h LEU 133 CO 0.04 0.95 -0.19 0.58 -0.34 0.00 0.00 178.44 179.47 3gdn h VAL 134 N 0.68 0.50 -0.49 1.05 2.07 -0.87 0.87 116.25 120.05 3gdn h VAL 134 Ca 0.13 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.55 3gdn h VAL 134 Cb 0.55 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3gdn h VAL 134 CO 0.03 0.00 -0.09 0.78 0.02 0.00 0.00 177.57 178.31 3gdn h ASN 135 N -0.23 0.88 -0.58 0.57 4.21 -1.33 -0.36 115.58 118.74 3gdn h ASN 135 Ca 0.11 -0.27 -0.02 0.00 1.21 0.00 0.00 56.30 57.33 3gdn h ASN 135 Cb 0.39 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 37.32 3gdn h ASN 135 CO -0.29 0.99 0.29 1.56 -1.29 0.00 0.00 177.43 178.69 3gdn h GLN 136 N 0.81 0.86 -0.29 0.81 4.20 -0.79 -1.19 115.11 119.51 3gdn h GLN 136 Ca 0.14 -0.11 -0.15 0.00 0.06 0.00 0.00 58.65 58.58 3gdn h GLN 136 Cb 0.60 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 3gdn h GLN 136 CO 0.04 0.66 -0.42 1.15 -0.67 0.00 0.00 178.83 179.59 3gdn h THR 137 N 0.86 1.29 -0.52 -0.54 2.02 -0.34 -1.23 112.91 114.45 3gdn h THR 137 Ca 0.21 -1.61 0.02 0.00 0.77 0.00 0.00 66.41 65.81 3gdn h THR 137 Cb 0.09 1.61 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 3gdn h THR 137 CO -0.03 0.52 0.31 1.88 0.37 0.00 0.00 175.52 178.57 3gdn h TYR 138 N 0.56 0.58 -0.83 3.16 0.99 -0.64 -1.42 116.97 119.37 3gdn h TYR 138 Ca 0.03 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 3gdn h TYR 138 Cb 1.02 -0.19 -0.04 0.00 1.00 0.00 0.00 36.73 38.52 3gdn h TYR 138 CO 0.07 0.33 0.45 0.93 -0.00 0.00 0.00 178.16 179.95 3gdn h GLU 139 N 0.62 1.16 -0.51 4.88 5.08 -1.09 0.15 114.58 124.87 3gdn h GLU 139 Ca 0.21 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3gdn h GLU 139 Cb 0.02 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 3gdn h GLU 139 CO -0.10 0.85 0.33 2.35 -1.00 0.00 0.00 179.01 181.45 3gdn h TRP 140 N 1.17 0.62 -0.06 4.33 7.01 -0.51 0.54 115.95 129.05 3gdn h TRP 140 Ca 0.29 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.28 3gdn h TRP 140 Cb 0.03 -0.21 -0.00 0.00 -2.10 0.00 0.00 29.16 26.88 3gdn h TRP 140 CO 0.01 0.38 -0.07 0.28 -2.79 0.00 0.00 178.44 176.25 3gdn h VAL 141 N 0.67 1.39 -0.61 2.65 2.07 -0.79 -3.27 116.25 118.36 3gdn h VAL 141 Ca 0.19 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 3gdn h VAL 141 Cb -0.06 2.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 3gdn h VAL 141 CO -0.05 0.35 0.36 -0.33 0.02 0.00 0.00 177.57 177.92 3gdn h GLU 142 N -0.30 0.82 0.00 1.57 5.08 -0.55 -0.86 114.58 120.33 3gdn h GLU 142 Ca 0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3gdn h GLU 142 Cb 0.60 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3gdn h GLU 142 CO 0.02 0.58 0.00 -0.25 -1.00 0.00 0.00 179.01 178.36 3gdn n ASP 143 N -4.41 0.16 -0.10 1.42 8.00 0.17 -1.77 116.55 120.02 3gdn n ASP 143 Ca 0.06 0.54 -0.16 0.00 0.71 0.00 0.00 54.79 55.93 3gdn n ASP 143 Cb 0.08 -0.57 -0.09 0.00 -0.02 0.00 0.00 41.12 40.52 3gdn n ASP 143 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3gdn n THR 144 N -1.68 1.14 -1.26 -3.53 -1.04 -0.45 -4.04 114.28 103.42 3gdn n THR 144 Ca 0.04 -0.39 0.01 0.00 -2.04 0.00 0.00 64.05 61.67 3gdn n THR 144 Cb 0.21 -1.38 0.02 0.00 -1.82 0.00 0.00 70.33 67.35 3gdn n THR 144 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 3gdn n ILE 145 N -3.35 0.37 -4.90 12.58 -5.35 -0.50 -4.86 119.36 113.36 3gdn n ILE 145 Ca -0.37 -0.42 -0.33 0.00 -0.27 0.00 0.00 62.75 61.37 3gdn n ILE 145 Cb 0.85 0.59 -0.14 0.00 -1.74 0.00 0.00 39.64 39.20 3gdn n ILE 145 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3gdn s VAL 146 N -0.49 2.94 0.07 7.28 1.01 -1.06 -4.28 120.40 125.86 3gdn s VAL 146 Ca 0.04 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.34 3gdn s VAL 146 Cb 0.04 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 3gdn s VAL 146 CO 0.00 0.56 -0.17 -0.31 0.00 0.00 0.00 175.10 175.19 3gdn s TYR 147 N -0.27 1.43 -0.21 5.22 1.51 0.31 -0.40 117.35 124.94 3gdn s TYR 147 Ca 0.01 -0.42 -0.29 0.00 -1.01 0.00 0.00 57.07 55.36 3gdn s TYR 147 Cb -0.13 -0.81 0.00 0.00 -0.11 0.00 0.00 41.96 40.92 3gdn s TYR 147 CO 0.03 0.10 1.05 0.21 -1.11 0.00 0.00 175.55 175.83 3gdn s LYS 148 N -1.65 4.28 0.86 -0.62 2.20 -1.26 -1.85 119.74 121.71 3gdn s LYS 148 Ca 0.02 1.39 -0.11 0.00 -0.36 0.00 0.00 55.97 56.91 3gdn s LYS 148 Cb -0.10 -3.63 0.11 0.00 -1.51 0.00 0.00 37.83 32.70 3gdn s LYS 148 CO 0.03 -0.59 1.10 -1.25 -0.36 0.00 0.00 175.35 174.27 3gdn s PRO 149 N 3.05 1.52 0.68 4.03 0.04 -1.26 -4.79 135.00 138.26 3gdn s PRO 149 Ca 0.45 1.06 -0.11 0.00 0.04 0.00 0.00 61.00 62.45 3gdn s PRO 149 Cb -0.16 -1.82 -0.00 0.00 0.04 0.00 0.00 34.50 32.56 3gdn s PRO 149 CO 0.08 -2.13 1.06 -0.80 0.04 0.00 0.00 177.00 175.25 3gdn s ASN 150 N -3.26 5.50 0.29 6.66 0.02 -1.26 -5.00 114.94 117.89 3gdn s ASN 150 Ca 0.63 1.61 -0.29 0.00 -1.02 0.00 0.00 52.86 53.79 3gdn s ASN 150 Cb -0.19 -2.49 -0.09 0.00 0.02 0.00 0.00 41.25 38.50 3gdn s ASN 150 CO 0.57 -1.36 1.04 -0.94 0.02 0.00 0.00 177.10 176.43 3gdn s SER 151 N -3.77 7.32 -0.05 -1.22 1.04 -1.26 -5.03 113.70 110.73 3gdn s SER 151 Ca 0.58 2.13 0.02 0.00 0.48 0.00 0.00 55.95 59.15 3gdn s SER 151 Cb -0.14 -2.61 0.02 0.00 0.10 0.00 0.00 66.02 63.38 3gdn s SER 151 CO 0.54 -0.09 -0.07 -1.10 0.98 0.00 0.00 173.24 173.49 3gdn s GLN 152 N -1.53 1.05 0.16 4.02 -0.21 -1.26 -5.07 119.66 116.83 3gdn s GLN 152 Ca 0.45 -0.21 -0.23 0.00 0.02 0.00 0.00 55.36 55.39 3gdn s GLN 152 Cb -0.28 -0.97 0.05 0.00 1.00 0.00 0.00 33.01 32.81 3gdn s GLN 152 CO 0.36 -0.02 1.60 1.03 -2.12 0.00 0.00 175.29 176.14 3gdn h SER 153 N 6.98 -1.05 -0.55 5.90 0.87 -1.96 -0.45 113.55 123.30 3gdn h SER 153 Ca -0.36 0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.34 3gdn h SER 153 Cb 1.16 0.49 -0.03 0.00 -0.44 0.00 0.00 62.40 63.59 3gdn h SER 153 CO 0.48 -0.32 0.17 -0.25 -0.53 0.00 0.00 176.83 176.38 3gdn h TRP 154 N -0.26 0.92 -0.47 2.24 2.91 -1.96 -0.75 115.95 118.58 3gdn h TRP 154 Ca 0.17 -0.08 -0.09 0.00 1.13 0.00 0.00 58.89 60.02 3gdn h TRP 154 Cb 0.53 -0.27 -0.02 0.00 -0.51 0.00 0.00 29.16 28.89 3gdn h TRP 154 CO -0.52 0.75 -0.06 1.96 -1.03 0.00 0.00 178.44 179.54 3gdn h GLN 155 N 0.87 0.81 -0.51 2.65 1.08 -1.77 -0.76 115.11 117.49 3gdn h GLN 155 Ca 0.19 -0.25 -0.08 0.00 -1.45 0.00 0.00 58.65 57.06 3gdn h GLN 155 Cb 0.27 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 3gdn h GLN 155 CO -0.01 0.86 -0.01 0.77 -0.95 0.00 0.00 178.83 179.50 3gdn h SER 156 N 0.74 0.82 -0.47 1.46 0.02 -0.44 0.45 113.55 116.14 3gdn h SER 156 Ca 0.13 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 3gdn h SER 156 Cb 0.54 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 3gdn h SER 156 CO 0.03 0.89 0.15 0.58 -1.14 0.00 0.00 176.83 177.35 3gdn h VAL 157 N 0.79 1.22 -0.74 2.27 2.07 -0.74 -1.85 116.25 119.27 3gdn h VAL 157 Ca 0.15 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3gdn h VAL 157 Cb 0.48 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 3gdn h VAL 157 CO 0.02 0.27 0.41 0.74 0.02 0.00 0.00 177.57 179.03 3gdn h THR 158 N 0.62 1.22 -0.81 2.57 2.02 -0.67 -1.05 112.91 116.81 3gdn h THR 158 Ca 0.15 -0.55 0.01 0.00 0.77 0.00 0.00 66.41 66.79 3gdn h THR 158 Cb 0.25 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 3gdn h THR 158 CO -0.01 0.25 0.53 0.50 0.37 0.00 0.00 175.52 177.16 3gdn h LYS 159 N 1.02 1.07 -0.45 6.66 3.64 -0.62 -0.15 116.57 127.74 3gdn h LYS 159 Ca 0.26 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.49 3gdn h LYS 159 Cb 0.03 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 3gdn h LYS 159 CO -0.04 0.71 -0.07 1.79 -2.27 0.00 0.00 179.45 179.56 3gdn h THR 160 N 1.10 1.25 -0.27 1.00 1.35 -0.76 -1.79 112.91 114.79 3gdn h THR 160 Ca 0.30 -1.12 -0.02 0.00 -0.55 0.00 0.00 66.41 65.02 3gdn h THR 160 Cb -0.12 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 67.27 3gdn h THR 160 CO -0.06 0.39 0.09 0.00 -0.25 0.00 0.00 175.52 175.68 3gdn h ALA 161 N 1.19 0.35 -0.46 6.62 0.00 -0.42 -0.51 119.26 126.04 3gdn h ALA 161 Ca 0.13 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3gdn h ALA 161 Cb 0.55 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3gdn h ALA 161 CO 0.03 -0.02 0.27 0.74 0.00 0.00 0.00 179.25 180.27 3gdn h PHE 162 N 0.27 0.50 -0.29 0.00 0.05 -0.88 -0.30 116.94 116.31 3gdn h PHE 162 Ca 0.09 0.02 -0.10 0.00 3.82 0.00 0.00 57.97 61.80 3gdn h PHE 162 Cb 0.24 -0.16 -0.01 0.00 2.00 0.00 0.00 35.95 38.01 3gdn h PHE 162 CO 0.00 0.29 -0.23 -0.07 -0.18 0.00 0.00 178.31 178.12 3gdn h LEU 163 N 0.54 0.54 -0.98 1.54 3.38 -1.17 -1.59 115.31 117.57 3gdn h LEU 163 Ca 0.18 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3gdn h LEU 163 Cb 0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3gdn h LEU 163 CO -0.09 0.77 -0.51 -0.08 0.09 0.00 0.00 178.44 178.63 3gdn h GLU 164 N 0.48 0.00 -0.59 1.13 4.81 -0.72 -2.97 114.58 116.73 3gdn h GLU 164 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3gdn h GLU 164 Cb 0.66 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.04 3gdn h GLU 164 CO 0.05 0.51 0.00 0.00 -0.73 0.00 0.00 179.01 178.83 3gdn n ALA 165 N -2.44 2.82 -1.04 2.92 0.00 -0.15 -4.92 120.51 117.70 3gdn n ALA 165 Ca -0.01 -0.75 -0.01 0.00 0.00 0.00 0.00 53.44 52.66 3gdn n ALA 165 Cb 0.52 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.95 3gdn n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gdn n GLY 166 N 0.65 0.50 3.51 0.00 0.00 -1.10 -4.95 105.19 103.79 3gdn n GLY 166 Ca 0.12 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 3gdn n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gdn s VAL 167 N -2.00 4.51 0.27 1.61 1.01 -0.65 -4.94 120.40 120.22 3gdn s VAL 167 Ca 0.00 -1.79 0.10 0.00 0.00 0.00 0.00 61.98 60.29 3gdn s VAL 167 Cb 0.00 -4.97 -0.04 0.00 0.00 0.00 0.00 36.38 31.37 3gdn s VAL 167 CO 0.00 -1.75 -0.04 -1.00 0.00 0.00 0.00 175.10 172.31 3gdn s HIS 168 N 3.18 2.60 0.32 5.22 3.76 -1.26 -2.78 115.29 126.32 3gdn s HIS 168 Ca 0.43 -0.26 -0.03 0.00 -0.15 0.00 0.00 55.06 55.05 3gdn s HIS 168 Cb -0.01 -1.17 0.07 0.00 1.11 0.00 0.00 32.58 32.57 3gdn s HIS 168 CO -0.03 0.63 0.43 -0.35 -0.85 0.00 0.00 174.74 174.57 3gdn n PRO 169 N -0.84 -0.05 -3.51 8.40 -0.04 -1.26 -3.52 135.00 134.18 3gdn n PRO 169 Ca -0.06 -0.89 -0.37 0.00 -0.04 0.00 0.00 63.50 62.14 3gdn n PRO 169 Cb 0.59 -0.37 -0.07 0.00 -0.04 0.00 0.00 33.50 33.61 3gdn n PRO 169 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3gdn s ASN 170 N -2.66 6.54 0.00 3.54 2.47 -1.26 -0.67 114.94 122.90 3gdn s ASN 170 Ca 0.26 0.63 0.15 0.00 0.42 0.00 0.00 52.86 54.32 3gdn s ASN 170 Cb -0.01 -2.21 0.18 0.00 -1.45 0.00 0.00 41.25 37.76 3gdn s ASN 170 CO 0.18 0.13 1.05 1.41 -3.72 0.00 0.00 177.10 176.15 3gdn n HIS 171 N 3.22 0.13 -1.34 0.43 8.25 0.16 -4.95 115.22 121.13 3gdn n HIS 171 Ca -0.12 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 3gdn n HIS 171 Cb 0.52 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 3gdn n HIS 171 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gdn n GLY 172 N 0.84 2.85 3.61 -1.41 0.00 -1.26 -4.30 105.19 105.51 3gdn n GLY 172 Ca 0.10 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 3gdn n GLY 172 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gdn s PHE 173 N 0.00 3.26 -0.15 1.61 5.36 -1.26 -0.92 117.98 125.87 3gdn s PHE 173 Ca 0.00 0.32 -0.23 0.00 -0.96 0.00 0.00 56.93 56.06 3gdn s PHE 173 Cb 0.00 -2.48 0.06 0.00 -0.34 0.00 0.00 43.02 40.26 3gdn s PHE 173 CO 0.00 -0.16 0.58 0.45 -1.46 0.00 0.00 175.22 174.63 3gdn s SER 174 N 1.57 -0.57 0.10 6.13 0.15 -0.51 -4.95 113.70 115.62 3gdn s SER 174 Ca 0.12 0.92 0.24 0.00 0.70 0.00 0.00 55.95 57.93 3gdn s SER 174 Cb -0.16 0.91 0.28 0.00 -1.71 0.00 0.00 66.02 65.34 3gdn s SER 174 CO 0.10 -0.35 1.25 0.18 1.20 0.00 0.00 173.24 175.62 3gdn n LEU 175 N 2.07 0.67 -4.74 3.45 4.77 -1.26 -4.02 117.00 117.93 3gdn n LEU 175 Ca -0.16 0.16 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 3gdn n LEU 175 Cb 0.56 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 3gdn n LEU 175 CO 0.14 -0.02 0.75 -1.81 -1.33 0.00 0.00 177.39 175.11 3gdn s ASP 176 N -4.10 7.37 -0.70 -1.43 1.01 -1.26 -0.87 116.67 116.68 3gdn s ASP 176 Ca 0.06 2.06 -0.27 0.00 0.71 0.00 0.00 52.55 55.11 3gdn s ASP 176 Cb 0.14 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.47 3gdn s ASP 176 CO 0.74 -0.12 1.47 -2.28 0.21 0.00 0.00 175.17 175.20 3gdn s HIS 177 N -0.56 2.08 0.03 4.23 5.65 -1.21 -4.91 115.29 120.60 3gdn s HIS 177 Ca 0.47 0.21 0.01 0.00 0.25 0.00 0.00 55.06 56.00 3gdn s HIS 177 Cb -0.28 -4.46 -0.02 0.00 -1.18 0.00 0.00 32.58 26.64 3gdn s HIS 177 CO 0.35 -2.15 -0.06 -1.21 -0.65 0.00 0.00 174.74 171.02 3gdn s GLU 178 N 6.15 0.43 0.28 2.88 2.02 -1.26 -4.61 118.70 124.59 3gdn s GLU 178 Ca 0.46 -0.64 -0.30 0.00 0.02 0.00 0.00 54.97 54.51 3gdn s GLU 178 Cb -0.09 -0.16 -0.13 0.00 0.10 0.00 0.00 34.13 33.85 3gdn s GLU 178 CO 0.16 0.02 1.44 -1.91 0.02 0.00 0.00 175.26 174.99 3gdn n GLU 179 N 1.68 2.26 0.00 1.61 2.13 -1.26 -4.61 120.64 122.44 3gdn n GLU 179 Ca -0.22 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.40 3gdn n GLU 179 Cb 0.55 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.78 3gdn n GLU 179 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gdn n GLY 180 N 1.85 0.28 3.69 8.31 0.00 0.68 -4.01 105.19 115.98 3gdn n GLY 180 Ca 0.09 -2.28 -0.34 0.00 0.00 0.00 0.00 46.02 43.49 3gdn n GLY 180 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gdn s THR 181 N -0.16 4.32 0.26 2.61 2.01 0.15 -0.38 115.64 124.45 3gdn s THR 181 Ca 0.00 -0.33 -0.21 0.00 0.31 0.00 0.00 61.69 61.45 3gdn s THR 181 Cb 0.00 -2.85 0.03 0.00 0.01 0.00 0.00 72.50 69.69 3gdn s THR 181 CO 0.00 0.54 0.71 0.00 -0.69 0.00 0.00 174.62 175.17 3gdn s ARG 182 N -1.10 1.71 -0.21 4.92 1.70 -0.81 -0.67 118.95 124.49 3gdn s ARG 182 Ca 0.15 -0.91 -0.04 0.00 -0.47 0.00 0.00 55.73 54.46 3gdn s ARG 182 Cb -0.11 0.60 -0.01 0.00 -0.57 0.00 0.00 34.95 34.86 3gdn s ARG 182 CO 0.05 -0.78 -0.03 0.42 -1.08 0.00 0.00 175.30 173.88 3gdn s ILE 183 N -3.88 3.53 0.38 4.99 1.01 -0.10 -0.99 121.20 126.14 3gdn s ILE 183 Ca 0.10 -0.45 0.05 0.00 0.00 0.00 0.00 60.65 60.35 3gdn s ILE 183 Cb -0.05 -2.60 0.05 0.00 0.01 0.00 0.00 42.46 39.87 3gdn s ILE 183 CO 0.04 0.43 0.40 1.07 0.00 0.00 0.00 174.94 176.88 3gdn n THR 184 N 4.61 0.00 -2.10 2.92 5.66 0.37 -1.42 114.28 124.33 3gdn n THR 184 Ca -0.18 -1.41 -0.27 0.00 -3.05 0.00 0.00 64.05 59.14 3gdn n THR 184 Cb 0.51 -0.40 0.09 0.00 -1.55 0.00 0.00 70.33 68.98 3gdn n THR 184 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 3gdn s GLY 185 N -3.57 1.67 0.03 1.09 0.00 -1.19 -4.56 107.32 100.79 3gdn s GLY 185 Ca 0.31 -0.92 -0.04 0.00 0.00 0.00 0.00 44.72 44.06 3gdn s GLY 185 CO 0.19 -0.43 0.06 -0.45 0.00 0.00 0.00 173.10 172.47 3gdn s SER 186 N -4.60 0.19 0.00 1.64 0.15 -0.77 -1.02 113.70 109.30 3gdn s SER 186 Ca 0.63 -0.50 0.25 0.00 0.70 0.00 0.00 55.95 57.03 3gdn s SER 186 Cb -0.10 0.19 0.93 0.00 -1.71 0.00 0.00 66.02 65.33 3gdn s SER 186 CO 0.47 -0.44 1.66 0.35 1.20 0.00 0.00 173.24 176.48 3gdn n THR 187 N 1.04 0.09 -3.60 6.45 -2.24 0.63 -0.53 114.28 116.12 3gdn n THR 187 Ca -0.20 -0.29 -0.36 0.00 -2.27 0.00 0.00 64.05 60.92 3gdn n THR 187 Cb 0.57 0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 69.17 3gdn n THR 187 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3gdn s PHE 188 N -1.91 3.48 0.66 4.78 0.40 -1.26 -0.50 117.98 123.63 3gdn s PHE 188 Ca 0.36 0.56 -0.07 0.00 -0.60 0.00 0.00 56.93 57.18 3gdn s PHE 188 Cb 0.19 -2.27 0.14 0.00 0.51 0.00 0.00 43.02 41.60 3gdn s PHE 188 CO 0.30 0.31 0.91 -0.40 0.70 0.00 0.00 175.22 177.04 3gdn n ASP 189 N 3.33 0.55 0.00 1.36 5.68 -0.05 -4.67 116.55 122.75 3gdn n ASP 189 Ca -0.13 -1.62 0.03 0.00 -0.50 0.00 0.00 54.79 52.57 3gdn n ASP 189 Cb 0.52 -0.65 0.14 0.00 -1.14 0.00 0.00 41.12 39.99 3gdn n ASP 189 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3gdn n ASN 190 N -3.31 0.00 -0.73 -1.12 3.02 -1.26 -1.27 115.26 110.59 3gdn n ASN 190 Ca 0.13 0.45 0.08 0.00 -0.03 0.00 0.00 54.58 55.21 3gdn n ASN 190 Cb 0.45 -0.47 0.13 0.00 -0.61 0.00 0.00 39.78 39.28 3gdn n ASN 190 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3gdn n LYS 191 N -1.47 1.85 -0.54 3.52 5.02 -1.26 -4.94 118.16 120.34 3gdn n LYS 191 Ca 0.02 -1.78 0.00 0.00 -2.02 0.00 0.00 58.31 54.53 3gdn n LYS 191 Cb 0.07 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 3gdn n LYS 191 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gdn n GLY 192 N 0.88 0.75 3.72 0.72 0.00 -0.40 -4.99 105.19 105.88 3gdn n GLY 192 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3gdn n GLY 192 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gdn s THR 193 N -2.64 4.19 0.04 2.61 2.01 -1.26 -0.69 115.64 119.90 3gdn s THR 193 Ca 0.00 1.64 -0.24 0.00 0.31 0.00 0.00 61.69 63.39 3gdn s THR 193 Cb 0.00 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 3gdn s THR 193 CO 0.00 0.17 0.75 -0.60 -0.69 0.00 0.00 174.62 174.24 3gdn s ARG 194 N 0.70 4.48 0.10 4.92 3.52 -0.20 -0.87 118.95 131.60 3gdn s ARG 194 Ca 0.55 1.03 0.09 0.00 -0.13 0.00 0.00 55.73 57.27 3gdn s ARG 194 Cb -0.27 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 3gdn s ARG 194 CO 0.30 0.30 -0.21 -1.01 -0.81 0.00 0.00 175.30 173.87 3gdn s HIS 195 N -0.09 2.46 0.16 5.12 3.76 0.34 -4.73 115.29 122.31 3gdn s HIS 195 Ca 0.38 -0.30 -0.03 0.00 -0.15 0.00 0.00 55.06 54.95 3gdn s HIS 195 Cb -0.20 -1.35 0.01 0.00 1.11 0.00 0.00 32.58 32.15 3gdn s HIS 195 CO 0.22 0.33 0.26 0.00 -0.85 0.00 0.00 174.74 174.70 3gdn n ALA 196 N 1.05 -0.39 -0.11 -1.40 0.00 -1.26 -4.70 120.51 113.71 3gdn n ALA 196 Ca -0.16 -0.64 0.15 0.00 0.00 0.00 0.00 53.44 52.79 3gdn n ALA 196 Cb 0.53 0.51 0.53 0.00 0.00 0.00 0.00 19.45 21.02 3gdn n ALA 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gdn h ALA 197 N 1.81 2.14 -0.25 0.00 0.00 -1.86 -1.73 119.26 119.39 3gdn h ALA 197 Ca -0.13 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.82 3gdn h ALA 197 Cb 0.52 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3gdn h ALA 197 CO 0.17 -0.32 0.17 0.38 0.00 0.00 0.00 179.25 179.65 3gdn h ASP 198 N 0.34 0.13 0.86 0.00 2.03 -1.85 -0.46 116.42 117.48 3gdn h ASP 198 Ca 0.32 -0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.60 3gdn h ASP 198 Cb 0.77 -0.03 -0.00 0.00 -0.83 0.00 0.00 39.33 39.24 3gdn h ASP 198 CO -0.09 0.09 -0.10 -0.33 -1.03 0.00 0.00 179.24 177.79 3gdn h GLU 199 N 0.16 0.00 0.00 4.15 5.08 -1.58 -2.02 114.58 120.37 3gdn h GLU 199 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3gdn h GLU 199 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3gdn h GLU 199 CO -0.02 0.10 0.00 1.28 -1.00 0.00 0.00 179.01 179.37 3gdn n LEU 200 N -3.27 0.68 0.24 1.33 4.77 -0.18 -1.44 117.00 119.12 3gdn n LEU 200 Ca -0.00 0.69 0.09 0.00 -0.03 0.00 0.00 56.01 56.76 3gdn n LEU 200 Cb 0.33 -0.62 0.59 0.00 -2.33 0.00 0.00 43.42 41.40 3gdn n LEU 200 CO 0.30 -0.63 0.90 -0.07 -1.33 0.00 0.00 177.39 176.56 3gdn h LEU 201 N 0.00 0.00 -1.65 2.23 3.38 -1.46 -1.75 115.31 116.06 3gdn h LEU 201 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gdn h LEU 201 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3gdn h LEU 201 CO 0.00 0.19 0.00 0.78 0.09 0.00 0.00 178.44 179.50 3gdn h ASN 202 N 0.00 0.00 1.22 -0.43 2.35 -1.42 -1.80 115.58 115.49 3gdn h ASN 202 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3gdn h ASN 202 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 3gdn h ASN 202 CO 0.02 0.00 -0.04 0.29 -1.65 0.00 0.00 177.43 176.05 3gdn n LYS 203 N -2.89 0.14 -1.40 0.81 4.76 -0.66 -4.85 118.16 114.07 3gdn n LYS 203 Ca -0.00 0.11 -0.19 0.00 -2.87 0.00 0.00 58.31 55.37 3gdn n LYS 203 Cb 0.23 -1.66 0.12 0.00 -1.84 0.00 0.00 35.03 31.88 3gdn n LYS 203 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gdn n GLY 204 N 1.40 -0.93 3.55 0.72 0.00 -0.68 -4.88 105.19 104.37 3gdn n GLY 204 Ca 0.06 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 3gdn n GLY 204 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gdn s ASN 205 N -4.11 6.33 0.32 1.61 3.84 -1.26 -4.93 114.94 116.75 3gdn s ASN 205 Ca 0.49 -0.07 0.21 0.00 0.21 0.00 0.00 52.86 53.70 3gdn s ASN 205 Cb -0.02 -2.28 1.16 0.00 -0.55 0.00 0.00 41.25 39.56 3gdn s ASN 205 CO 0.34 -0.54 1.65 -1.54 -2.79 0.00 0.00 177.10 174.21 3gdn n SER 206 N 5.85 0.55 0.01 -4.21 3.41 -1.26 -1.10 113.62 116.88 3gdn n SER 206 Ca -0.04 0.75 0.11 0.00 -0.26 0.00 0.00 58.87 59.44 3gdn n SER 206 Cb 0.49 -0.82 0.05 0.00 -0.26 0.00 0.00 64.21 63.67 3gdn n SER 206 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3gdn n ASN 207 N -2.25 0.66 -0.00 4.04 4.05 -1.26 -4.32 115.26 116.18 3gdn n ASN 207 Ca -0.01 -0.39 0.03 0.00 0.45 0.00 0.00 54.58 54.65 3gdn n ASN 207 Cb 0.05 0.70 -0.04 0.00 1.23 0.00 0.00 39.78 41.72 3gdn n ASN 207 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3gdn n ASN 208 N -1.73 2.48 -4.68 1.20 3.02 -0.26 -5.02 115.26 110.28 3gdn n ASN 208 Ca 0.03 -0.22 -0.35 0.00 -0.03 0.00 0.00 54.58 54.01 3gdn n ASN 208 Cb 0.39 1.17 -0.09 0.00 -0.61 0.00 0.00 39.78 40.64 3gdn n ASN 208 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3gdn s LEU 209 N -3.00 3.96 -0.03 3.41 2.96 -0.37 -1.10 118.68 124.50 3gdn s LEU 209 Ca -0.01 0.16 0.04 0.00 -0.22 0.00 0.00 54.13 54.10 3gdn s LEU 209 Cb 0.04 -2.00 -0.00 0.00 0.50 0.00 0.00 46.19 44.73 3gdn s LEU 209 CO 0.24 0.21 -0.14 -0.13 -1.32 0.00 0.00 176.35 175.20 3gdn s ARG 210 N 0.19 1.42 -0.10 1.98 0.52 -0.51 -4.81 118.95 117.64 3gdn s ARG 210 Ca 0.06 -0.49 0.04 0.00 -0.52 0.00 0.00 55.73 54.81 3gdn s ARG 210 Cb -0.12 -1.28 0.00 0.00 0.52 0.00 0.00 34.95 34.08 3gdn s ARG 210 CO -0.00 0.21 -0.23 0.08 0.02 0.00 0.00 175.30 175.38 3gdn s VAL 211 N 0.05 1.99 -0.19 3.52 1.01 -0.16 -0.99 120.40 125.63 3gdn s VAL 211 Ca -0.02 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 3gdn s VAL 211 Cb -0.10 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 3gdn s VAL 211 CO 0.01 0.54 -0.09 -0.83 0.00 0.00 0.00 175.10 174.73 3gdn s GLY 212 N 0.42 1.56 0.35 4.51 0.00 0.12 0.12 107.32 114.39 3gdn s GLY 212 Ca -0.17 -1.10 0.07 0.00 0.00 0.00 0.00 44.72 43.52 3gdn s GLY 212 CO 0.07 0.23 0.39 -1.34 0.00 0.00 0.00 173.10 172.46 3gdn s VAL 213 N 1.13 3.66 -1.49 1.40 -7.23 0.41 -0.24 120.40 118.04 3gdn s VAL 213 Ca 0.01 -1.18 -0.05 0.00 -1.81 0.00 0.00 61.98 58.94 3gdn s VAL 213 Cb -0.14 -3.25 0.02 0.00 0.56 0.00 0.00 36.38 33.56 3gdn s VAL 213 CO -0.02 -0.14 0.53 1.41 -0.31 0.00 0.00 175.10 176.56 3gdn n HIS 214 N -1.53 -1.86 -3.82 2.82 8.25 -0.22 -1.52 115.22 117.33 3gdn n HIS 214 Ca 0.00 0.47 -0.36 0.00 -0.26 0.00 0.00 57.72 57.57 3gdn n HIS 214 Cb 0.59 -4.04 -0.13 0.00 1.12 0.00 0.00 29.99 27.53 3gdn n HIS 214 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gdn s ALA 215 N -3.09 3.00 -0.57 -1.41 0.00 0.72 -4.10 121.76 116.31 3gdn s ALA 215 Ca 0.30 -2.08 -0.20 0.00 0.00 0.00 0.00 51.96 49.98 3gdn s ALA 215 Cb -0.14 -2.20 0.07 0.00 0.00 0.00 0.00 23.12 20.85 3gdn s ALA 215 CO 0.37 -1.50 0.76 0.45 0.00 0.00 0.00 175.76 175.84 3gdn s SER 216 N 1.52 6.22 -0.26 0.00 0.15 -0.70 -2.21 113.70 118.42 3gdn s SER 216 Ca 0.01 -1.01 -0.29 0.00 0.70 0.00 0.00 55.95 55.36 3gdn s SER 216 Cb -0.21 -2.34 -0.01 0.00 -1.71 0.00 0.00 66.02 61.76 3gdn s SER 216 CO -0.02 -1.12 1.32 -0.69 1.20 0.00 0.00 173.24 173.94 3gdn s VAL 217 N 3.12 4.14 -0.11 4.45 1.01 -1.26 -0.62 120.40 131.13 3gdn s VAL 217 Ca 0.18 1.31 0.20 0.00 0.00 0.00 0.00 61.98 63.66 3gdn s VAL 217 Cb -0.19 -4.07 -0.29 0.00 0.00 0.00 0.00 36.38 31.83 3gdn s VAL 217 CO 0.11 -0.37 0.33 -0.62 0.00 0.00 0.00 175.10 174.55 3gdn n GLU 218 N 7.16 0.67 -3.57 2.72 1.02 0.25 -4.94 120.64 123.95 3gdn n GLU 218 Ca 0.15 -0.09 -0.15 0.00 -0.02 0.00 0.00 57.16 57.04 3gdn n GLU 218 Cb 0.46 -1.54 -0.06 0.00 -0.02 0.00 0.00 31.44 30.28 3gdn n GLU 218 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3gdn s LYS 219 N -3.05 0.90 -0.11 3.49 2.20 -1.16 -4.76 119.74 117.25 3gdn s LYS 219 Ca -0.08 0.54 -0.14 0.00 -0.36 0.00 0.00 55.97 55.93 3gdn s LYS 219 Cb 0.10 0.43 -0.05 0.00 -1.51 0.00 0.00 37.83 36.81 3gdn s LYS 219 CO 0.87 -0.22 0.32 0.42 -0.36 0.00 0.00 175.35 176.39 3gdn s ILE 220 N -0.52 5.24 -0.06 5.43 1.01 -1.26 -0.60 121.20 130.44 3gdn s ILE 220 Ca -0.05 0.62 -0.13 0.00 0.00 0.00 0.00 60.65 61.10 3gdn s ILE 220 Cb -0.02 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 3gdn s ILE 220 CO 0.05 0.47 0.32 -0.63 0.00 0.00 0.00 174.94 175.14 3gdn s ILE 221 N -0.14 5.21 0.25 2.92 1.01 0.14 -4.88 121.20 125.70 3gdn s ILE 221 Ca 0.19 0.63 0.08 0.00 0.00 0.00 0.00 60.65 61.55 3gdn s ILE 221 Cb -0.14 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 3gdn s ILE 221 CO 0.07 0.55 -0.11 -0.36 0.00 0.00 0.00 174.94 175.09 3gdn s PHE 222 N -0.76 1.89 0.80 3.97 0.40 -1.26 -0.34 117.98 122.68 3gdn s PHE 222 Ca 0.20 -0.60 -0.10 0.00 -0.60 0.00 0.00 56.93 55.83 3gdn s PHE 222 Cb -0.15 -0.96 0.10 0.00 0.51 0.00 0.00 43.02 42.52 3gdn s PHE 222 CO 0.09 0.37 1.14 -1.54 0.70 0.00 0.00 175.22 175.98 3gdn s SER 223 N -3.40 4.34 0.72 1.36 1.04 -0.16 -4.85 113.70 112.76 3gdn s SER 223 Ca 0.26 0.50 -0.12 0.00 0.48 0.00 0.00 55.95 57.08 3gdn s SER 223 Cb 0.01 -0.96 0.03 0.00 0.10 0.00 0.00 66.02 65.19 3gdn s SER 223 CO 0.10 -1.95 1.08 0.20 0.98 0.00 0.00 173.24 173.65 3gdn s ASN 224 N -4.62 4.97 0.45 7.02 0.01 -1.26 -4.57 114.94 116.94 3gdn s ASN 224 Ca 0.64 1.78 -0.20 0.00 -0.71 0.00 0.00 52.86 54.38 3gdn s ASN 224 Cb -0.09 -2.52 -0.10 0.00 0.41 0.00 0.00 41.25 38.95 3gdn s ASN 224 CO 0.48 -1.72 0.96 0.00 -1.51 0.00 0.00 177.10 175.31 3gdn s ALA 225 N -2.83 3.05 0.73 0.60 0.00 -1.26 -4.42 121.76 117.64 3gdn s ALA 225 Ca 0.61 0.33 -0.03 0.00 0.00 0.00 0.00 51.96 52.87 3gdn s ALA 225 Cb -0.17 -3.14 0.10 0.00 0.00 0.00 0.00 23.12 19.92 3gdn s ALA 225 CO 0.52 0.02 0.63 -0.35 0.00 0.00 0.00 175.76 176.58 3gdn n PRO 226 N -0.93 -0.13 -3.19 0.00 -0.04 -1.26 -5.02 135.00 124.42 3gdn n PRO 226 Ca 0.07 -1.40 -0.15 0.00 -0.04 0.00 0.00 63.50 61.99 3gdn n PRO 226 Cb 0.54 -0.52 0.07 0.00 -0.04 0.00 0.00 33.50 33.55 3gdn n PRO 226 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gdn n GLY 227 N 0.47 -0.95 3.76 0.55 0.00 -1.26 -4.91 105.19 102.86 3gdn n GLY 227 Ca 0.09 0.47 -0.41 0.00 0.00 0.00 0.00 46.02 46.17 3gdn n GLY 227 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gdn s LEU 228 N -5.40 4.34 -0.07 0.99 1.43 -1.26 -4.90 118.68 113.81 3gdn s LEU 228 Ca 0.37 2.98 -0.04 0.00 -1.03 0.00 0.00 54.13 56.41 3gdn s LEU 228 Cb -0.05 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.55 3gdn s LEU 228 CO 0.70 -0.88 0.17 -0.89 0.23 0.00 0.00 176.35 175.68 3gdn s THR 229 N -0.55 -0.03 0.11 5.49 2.01 -1.26 -0.75 115.64 120.66 3gdn s THR 229 Ca 0.58 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 62.38 3gdn s THR 229 Cb -0.47 -0.26 -0.07 0.00 0.01 0.00 0.00 72.50 71.71 3gdn s THR 229 CO 0.55 0.05 1.23 0.00 -0.69 0.00 0.00 174.62 175.76 3gdn s ALA 230 N 0.80 3.44 -0.42 7.40 0.00 -0.14 -0.98 121.76 131.86 3gdn s ALA 230 Ca -0.06 0.93 0.08 0.00 0.00 0.00 0.00 51.96 52.92 3gdn s ALA 230 Cb -0.08 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.51 3gdn s ALA 230 CO -0.04 -0.44 0.37 0.25 0.00 0.00 0.00 175.76 175.89 3gdn n THR 231 N 3.43 0.00 -3.89 0.00 -2.24 0.54 -4.77 114.28 107.35 3gdn n THR 231 Ca 0.08 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3gdn n THR 231 Cb 0.45 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 3gdn n THR 231 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gdn n GLY 232 N 1.15 -0.80 3.19 3.38 0.00 -1.22 -1.46 105.19 109.43 3gdn n GLY 232 Ca 0.02 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 3gdn n GLY 232 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gdn s VAL 233 N -3.00 0.15 -0.16 1.61 -7.23 -0.23 -0.68 120.40 110.85 3gdn s VAL 233 Ca 0.00 -1.40 -0.01 0.00 -1.81 0.00 0.00 61.98 58.76 3gdn s VAL 233 Cb 0.00 -1.50 -0.01 0.00 0.56 0.00 0.00 36.38 35.43 3gdn s VAL 233 CO 0.00 -0.67 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.38 3gdn s ILE 234 N -3.90 3.07 0.12 -0.62 1.01 0.23 -1.97 121.20 119.14 3gdn s ILE 234 Ca 0.08 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.17 3gdn s ILE 234 Cb 0.06 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 3gdn s ILE 234 CO -0.08 0.49 -0.16 -0.72 0.00 0.00 0.00 174.94 174.47 3gdn s TYR 235 N 0.78 1.49 -0.02 3.97 -0.85 -0.77 -0.58 117.35 121.37 3gdn s TYR 235 Ca -0.04 -0.50 0.07 0.00 -0.52 0.00 0.00 57.07 56.07 3gdn s TYR 235 Cb -0.15 -0.79 -0.02 0.00 0.38 0.00 0.00 41.96 41.38 3gdn s TYR 235 CO 0.01 0.17 -0.23 0.50 -1.52 0.00 0.00 175.55 174.48 3gdn s ARG 236 N -2.41 2.17 0.76 -3.49 3.52 0.21 0.68 118.95 120.39 3gdn s ARG 236 Ca 0.08 -0.89 -0.01 0.00 -0.13 0.00 0.00 55.73 54.78 3gdn s ARG 236 Cb -0.07 -2.12 0.15 0.00 -1.56 0.00 0.00 34.95 31.35 3gdn s ARG 236 CO 0.04 0.57 1.04 0.16 -0.81 0.00 0.00 175.30 176.29 3gdn s ASP 237 N -0.73 4.13 0.49 -2.12 1.47 -0.50 -1.71 116.67 117.69 3gdn s ASP 237 Ca 0.11 -0.50 0.33 0.00 1.18 0.00 0.00 52.55 53.67 3gdn s ASP 237 Cb -0.10 0.25 1.69 0.00 -0.34 0.00 0.00 42.92 44.41 3gdn s ASP 237 CO -0.00 -2.03 2.01 0.77 0.68 0.00 0.00 175.17 176.60 3gdn h SER 238 N -0.64 0.00 -0.45 2.11 4.64 -1.90 -0.30 113.55 117.00 3gdn h SER 238 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3gdn h SER 238 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3gdn h SER 238 CO 0.37 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.92 3gdn n ASN 239 N -2.74 2.54 0.00 4.97 3.02 -1.26 -4.90 115.26 116.89 3gdn n ASN 239 Ca -0.01 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 3gdn n ASN 239 Cb 0.13 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 3gdn n ASN 239 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gdn n GLY 240 N 1.27 0.43 3.70 7.41 0.00 -0.12 -5.00 105.19 112.88 3gdn n GLY 240 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3gdn n GLY 240 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gdn s THR 241 N -2.02 4.97 0.25 2.61 2.01 -1.26 -4.79 115.64 117.41 3gdn s THR 241 Ca 0.00 1.59 -0.23 0.00 0.31 0.00 0.00 61.69 63.36 3gdn s THR 241 Cb 0.00 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 68.31 3gdn s THR 241 CO 0.00 0.17 0.81 -2.16 -0.69 0.00 0.00 174.62 172.75 3gdn s PRO 242 N 1.22 4.41 0.27 4.92 0.04 -1.26 -1.41 135.00 143.19 3gdn s PRO 242 Ca 0.40 1.07 0.07 0.00 0.04 0.00 0.00 61.00 62.58 3gdn s PRO 242 Cb -0.18 -2.90 -0.06 0.00 0.04 0.00 0.00 34.50 31.40 3gdn s PRO 242 CO 0.18 0.38 -0.07 -1.01 0.04 0.00 0.00 177.00 176.51 3gdn s HIS 243 N -1.51 1.95 -0.04 0.56 3.76 0.21 -4.97 115.29 115.25 3gdn s HIS 243 Ca 0.45 -0.67 0.02 0.00 -0.15 0.00 0.00 55.06 54.71 3gdn s HIS 243 Cb -0.18 -1.08 0.01 0.00 1.11 0.00 0.00 32.58 32.43 3gdn s HIS 243 CO 0.23 0.31 -0.10 -0.65 -0.85 0.00 0.00 174.74 173.68 3gdn s GLN 244 N -3.71 1.25 -0.14 1.40 -0.21 -0.15 -1.85 119.66 116.26 3gdn s GLN 244 Ca 0.29 -0.33 0.00 0.00 0.02 0.00 0.00 55.36 55.34 3gdn s GLN 244 Cb 0.03 -1.11 0.02 0.00 1.00 0.00 0.00 33.01 32.95 3gdn s GLN 244 CO 0.12 0.06 -0.13 0.00 -2.12 0.00 0.00 175.29 173.22 3gdn s ALA 245 N 0.47 1.75 0.20 6.09 0.00 -0.83 -1.20 121.76 128.24 3gdn s ALA 245 Ca -0.09 -0.83 0.07 0.00 0.00 0.00 0.00 51.96 51.11 3gdn s ALA 245 Cb -0.12 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 3gdn s ALA 245 CO 0.02 -0.40 0.10 -0.06 0.00 0.00 0.00 175.76 175.42 3gdn s PHE 246 N 1.53 3.01 0.11 0.00 0.40 0.44 -1.06 117.98 122.40 3gdn s PHE 246 Ca 0.05 -0.10 0.03 0.00 -0.60 0.00 0.00 56.93 56.31 3gdn s PHE 246 Cb -0.13 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 3gdn s PHE 246 CO -0.10 0.53 0.13 0.14 0.70 0.00 0.00 175.22 176.62 3gdn s VAL 247 N -1.91 4.70 0.73 -0.44 -7.23 -0.54 -0.57 120.40 115.15 3gdn s VAL 247 Ca 0.31 -0.81 -0.00 0.00 -1.81 0.00 0.00 61.98 59.66 3gdn s VAL 247 Cb -0.09 -3.32 0.14 0.00 0.56 0.00 0.00 36.38 33.66 3gdn s VAL 247 CO 0.22 0.04 1.01 -0.13 -0.31 0.00 0.00 175.10 175.92 3gdn s ARG 248 N -2.70 1.61 0.13 4.82 0.52 0.14 -4.87 118.95 118.60 3gdn s ARG 248 Ca 0.31 -1.18 -0.35 0.00 -0.52 0.00 0.00 55.73 53.99 3gdn s ARG 248 Cb -0.12 -2.33 -0.16 0.00 0.52 0.00 0.00 34.95 32.87 3gdn s ARG 248 CO 0.24 -1.50 1.36 0.45 0.02 0.00 0.00 175.30 175.86 3gdn n SER 249 N -2.86 1.98 0.00 0.23 2.88 -1.26 0.57 113.62 115.15 3gdn n SER 249 Ca 0.16 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 3gdn n SER 249 Cb 0.61 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.80 3gdn n SER 249 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3gdn n LYS 250 N 2.49 0.00 -1.86 -1.46 5.02 -1.26 -4.98 118.16 116.11 3gdn n LYS 250 Ca 0.17 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.17 3gdn n LYS 250 Cb 0.23 -2.91 0.09 0.00 -0.02 0.00 0.00 35.03 32.43 3gdn n LYS 250 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3gdn s GLY 251 N -2.00 1.59 0.09 0.72 0.00 0.19 -5.06 107.32 102.85 3gdn s GLY 251 Ca 0.00 -0.63 -0.10 0.00 0.00 0.00 0.00 44.72 43.99 3gdn s GLY 251 CO 0.00 -0.14 0.22 -0.54 0.00 0.00 0.00 173.10 172.65 3gdn s GLU 252 N -5.54 0.85 -0.20 2.90 2.02 -0.86 -4.70 118.70 113.17 3gdn s GLU 252 Ca 0.62 -0.87 -0.09 0.00 0.02 0.00 0.00 54.97 54.66 3gdn s GLU 252 Cb -0.11 0.35 -0.04 0.00 0.10 0.00 0.00 34.13 34.42 3gdn s GLU 252 CO 0.49 -0.28 0.10 0.08 0.02 0.00 0.00 175.26 175.67 3gdn s VAL 253 N -3.64 5.05 -0.13 2.63 1.01 0.29 -2.27 120.40 123.34 3gdn s VAL 253 Ca 0.03 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.10 3gdn s VAL 253 Cb 0.04 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 33.12 3gdn s VAL 253 CO -0.10 0.43 -0.20 -0.63 0.00 0.00 0.00 175.10 174.60 3gdn s ILE 254 N 0.52 1.90 -0.27 2.22 1.01 -0.30 -1.60 121.20 124.69 3gdn s ILE 254 Ca 0.05 -0.89 -0.15 0.00 0.00 0.00 0.00 60.65 59.66 3gdn s ILE 254 Cb -0.12 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 3gdn s ILE 254 CO 0.00 0.52 0.37 -0.69 0.00 0.00 0.00 174.94 175.14 3gdn s VAL 255 N 0.79 5.18 -0.29 2.92 1.01 0.35 -0.91 120.40 129.45 3gdn s VAL 255 Ca -0.09 0.57 0.16 0.00 0.00 0.00 0.00 61.98 62.62 3gdn s VAL 255 Cb -0.16 -3.70 0.48 0.00 0.00 0.00 0.00 36.38 33.01 3gdn s VAL 255 CO -0.00 0.16 1.13 -1.20 0.00 0.00 0.00 175.10 175.19 3gdn n SER 256 N 5.31 3.02 -0.06 3.32 7.64 0.77 -1.41 113.62 132.21 3gdn n SER 256 Ca -0.08 -2.83 0.07 0.00 1.01 0.00 0.00 58.87 57.04 3gdn n SER 256 Cb 0.51 -0.43 0.40 0.00 -1.01 0.00 0.00 64.21 63.68 3gdn n SER 256 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gdn n ALA 257 N -0.60 2.57 0.00 -0.43 0.00 -0.89 -4.46 120.51 116.71 3gdn n ALA 257 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3gdn n ALA 257 Cb 0.86 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 19.10 3gdn n ALA 257 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gdn n GLY 258 N 0.76 -0.43 0.36 0.00 0.00 -1.26 -2.66 105.19 101.96 3gdn n GLY 258 Ca 0.11 -1.73 0.14 0.00 0.00 0.00 0.00 46.02 44.54 3gdn n GLY 258 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3gdn h THR 259 N 0.00 0.70 0.03 2.61 2.02 -1.85 0.10 112.91 116.52 3gdn h THR 259 Ca 0.00 -0.25 -0.23 0.00 0.77 0.00 0.00 66.41 66.70 3gdn h THR 259 Cb 0.00 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.30 3gdn h THR 259 CO 0.00 0.13 -1.23 0.40 0.37 0.00 0.00 175.52 175.19 3gdn h ILE 260 N 0.72 1.00 -0.36 3.11 1.08 -1.88 -3.39 117.51 117.79 3gdn h ILE 260 Ca 0.57 -2.25 -0.11 0.00 -0.39 0.00 0.00 64.86 62.67 3gdn h ILE 260 Cb 0.95 2.47 -0.01 0.00 -3.07 0.00 0.00 36.82 37.15 3gdn h ILE 260 CO -0.36 0.48 -0.24 1.23 -0.69 0.00 0.00 178.15 178.56 3gdn h GLY 261 N -0.58 0.78 0.70 5.37 0.00 -1.31 -3.13 103.07 104.91 3gdn h GLY 261 Ca -0.31 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.34 3gdn h GLY 261 CO -0.11 0.61 -0.08 -0.84 0.00 0.00 0.00 176.54 176.13 3gdn h THR 262 N 0.63 0.96 -0.86 4.70 2.02 -1.04 -1.62 112.91 117.70 3gdn h THR 262 Ca 0.09 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 3gdn h THR 262 Cb 0.74 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 3gdn h THR 262 CO 0.06 0.14 0.54 -0.65 0.37 0.00 0.00 175.52 175.98 3gdn h PRO 263 N -0.52 1.16 -0.14 6.66 0.11 -1.76 -1.41 132.00 136.10 3gdn h PRO 263 Ca -0.02 -0.09 0.02 0.00 0.11 0.00 0.00 66.00 66.02 3gdn h PRO 263 Cb 0.40 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 3gdn h PRO 263 CO 0.04 0.80 -0.00 0.37 -0.21 0.00 0.00 178.00 178.99 3gdn h GLN 264 N 1.18 0.05 -0.68 1.05 4.15 -1.48 -0.61 115.11 118.76 3gdn h GLN 264 Ca 0.31 -0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.67 3gdn h GLN 264 Cb -0.08 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 3gdn h GLN 264 CO -0.06 0.03 0.19 1.25 -1.93 0.00 0.00 178.83 178.31 3gdn h LEU 265 N 0.05 1.01 -0.35 -2.39 5.85 -0.93 -1.06 115.31 117.49 3gdn h LEU 265 Ca 0.07 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 3gdn h LEU 265 Cb 0.08 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3gdn h LEU 265 CO -0.11 0.97 0.21 -0.07 -0.34 0.00 0.00 178.44 179.09 3gdn h LEU 266 N 1.01 0.42 -0.33 2.25 3.38 -0.98 -0.85 115.31 120.21 3gdn h LEU 266 Ca 0.22 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3gdn h LEU 266 Cb 0.33 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3gdn h LEU 266 CO -0.00 0.36 0.20 -0.07 0.09 0.00 0.00 178.44 179.02 3gdn h LEU 267 N 0.45 0.40 -2.32 1.67 3.38 -0.89 -0.01 115.31 117.99 3gdn h LEU 267 Ca 0.12 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3gdn h LEU 267 Cb 0.02 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3gdn h LEU 267 CO -0.02 0.33 -0.04 -0.07 0.09 0.00 0.00 178.44 178.73 3gdn h LEU 268 N 0.43 0.00 -1.58 1.67 3.38 -0.93 -1.74 115.31 116.54 3gdn h LEU 268 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3gdn h LEU 268 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3gdn h LEU 268 CO -0.02 0.04 0.00 -1.20 0.09 0.00 0.00 178.44 177.34 3gdn n SER 269 N -3.38 2.36 0.00 -0.43 7.64 -0.35 -4.93 113.62 114.54 3gdn n SER 269 Ca -0.02 -1.84 0.00 0.00 1.01 0.00 0.00 58.87 58.02 3gdn n SER 269 Cb 0.16 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 3gdn n SER 269 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gdn n GLY 270 N 1.27 0.64 3.15 0.23 0.00 -0.65 -4.65 105.19 105.18 3gdn n GLY 270 Ca 0.17 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 3gdn n GLY 270 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gdn s VAL 271 N -2.00 3.65 -1.20 1.61 1.01 -0.11 -0.13 120.40 123.23 3gdn s VAL 271 Ca 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 61.98 59.92 3gdn s VAL 271 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.93 3gdn s VAL 271 CO 0.00 -0.74 0.00 0.61 0.00 0.00 0.00 175.10 174.97 3gdn n GLY 272 N 4.59 -1.29 3.68 4.51 0.00 -1.18 -3.43 105.19 112.07 3gdn n GLY 272 Ca -0.03 -0.91 -0.47 0.00 0.00 0.00 0.00 46.02 44.61 3gdn n GLY 272 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gdn n PRO 273 N -0.01 2.22 0.00 1.61 -0.02 -0.92 -0.73 135.00 137.15 3gdn n PRO 273 Ca 0.00 0.81 -0.10 0.00 -2.02 0.00 0.00 63.50 62.19 3gdn n PRO 273 Cb 0.00 -2.64 -0.04 0.00 -0.02 0.00 0.00 33.50 30.81 3gdn n PRO 273 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3gdn h GLU 274 N 8.19 -0.36 -0.74 -0.52 4.22 -1.90 -0.09 114.58 123.37 3gdn h GLU 274 Ca -0.47 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 58.98 3gdn h GLU 274 Cb 1.26 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.56 3gdn h GLU 274 CO 0.93 -0.24 0.42 0.66 -2.18 0.00 0.00 179.01 178.59 3gdn h SER 275 N -0.38 0.90 0.08 1.04 4.64 -1.99 -0.48 113.55 117.37 3gdn h SER 275 Ca 0.10 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3gdn h SER 275 Cb 0.53 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3gdn h SER 275 CO -0.34 0.72 -0.04 0.22 -0.87 0.00 0.00 176.83 176.52 3gdn h TYR 276 N 1.03 -0.10 -0.24 4.77 3.20 -1.81 -0.98 116.97 122.83 3gdn h TYR 276 Ca 0.26 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.14 3gdn h TYR 276 Cb 0.01 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 3gdn h TYR 276 CO 0.01 0.15 0.12 -0.07 -1.64 0.00 0.00 178.16 176.73 3gdn h LEU 277 N -0.33 0.19 -1.41 2.82 3.38 -0.77 -2.38 115.31 116.81 3gdn h LEU 277 Ca -0.01 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3gdn h LEU 277 Cb 0.29 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3gdn h LEU 277 CO 0.02 0.14 -0.27 0.77 0.09 0.00 0.00 178.44 179.19 3gdn h SER 278 N 0.26 0.00 0.15 -0.43 4.64 -1.08 -0.48 113.55 116.61 3gdn h SER 278 Ca 0.10 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 3gdn h SER 278 Cb 0.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3gdn h SER 278 CO -0.06 0.27 -0.07 0.77 -0.87 0.00 0.00 176.83 176.88 3gdn h SER 279 N 0.00 0.00 -0.35 4.97 4.64 -0.64 -1.02 113.55 121.16 3gdn h SER 279 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gdn h SER 279 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3gdn h SER 279 CO 0.04 0.07 0.00 0.18 -0.87 0.00 0.00 176.83 176.24 3gdn n LEU 280 N -3.91 3.17 -1.61 5.97 4.77 -0.63 -4.96 117.00 119.79 3gdn n LEU 280 Ca -0.03 -1.56 -0.15 0.00 -0.03 0.00 0.00 56.01 54.25 3gdn n LEU 280 Cb 0.16 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.01 3gdn n LEU 280 CO 0.30 0.70 -0.18 0.59 -1.33 0.00 0.00 177.39 177.47 3gdn n ASN 281 N 1.19 -4.47 -4.61 -1.43 5.03 -0.39 -4.98 115.26 105.59 3gdn n ASN 281 Ca 0.16 0.02 -0.40 0.00 0.87 0.00 0.00 54.58 55.24 3gdn n ASN 281 Cb 0.52 -3.59 -0.08 0.00 -1.02 0.00 0.00 39.78 35.61 3gdn n ASN 281 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3gdn s ILE 282 N -2.71 5.09 0.19 2.41 1.01 -0.28 -4.99 121.20 121.91 3gdn s ILE 282 Ca 0.00 0.82 -0.33 0.00 0.00 0.00 0.00 60.65 61.14 3gdn s ILE 282 Cb 0.00 -3.80 -0.14 0.00 0.01 0.00 0.00 42.46 38.52 3gdn s ILE 282 CO 0.00 0.10 1.42 -2.65 0.00 0.00 0.00 174.94 173.81 3gdn n PRO 283 N 5.50 1.85 -3.06 2.79 -0.02 -1.26 -4.12 135.00 136.68 3gdn n PRO 283 Ca -0.05 0.66 -0.41 0.00 -2.02 0.00 0.00 63.50 61.69 3gdn n PRO 283 Cb 0.50 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 3gdn n PRO 283 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gdn s VAL 284 N 0.31 4.97 -0.16 -1.45 1.01 -1.26 -4.05 120.40 119.77 3gdn s VAL 284 Ca 0.74 1.27 -0.15 0.00 0.00 0.00 0.00 61.98 63.85 3gdn s VAL 284 Cb -0.72 -3.98 -0.23 0.00 0.00 0.00 0.00 36.38 31.44 3gdn s VAL 284 CO 0.46 0.06 0.33 0.58 0.00 0.00 0.00 175.10 176.53 3gdn h VAL 285 N 5.26 0.82 -2.18 2.92 2.07 -0.79 -3.47 116.25 120.87 3gdn h VAL 285 Ca -0.29 -2.28 0.01 0.00 0.82 0.00 0.00 66.70 64.95 3gdn h VAL 285 Cb 1.13 2.42 -0.23 0.00 -1.52 0.00 0.00 31.29 33.09 3gdn h VAL 285 CO 0.79 0.61 -0.16 -0.22 0.02 0.00 0.00 177.57 178.62 3gdn s LEU 286 N -7.49 -0.87 -0.11 2.57 2.96 -1.10 -5.04 118.68 109.60 3gdn s LEU 286 Ca -0.25 1.36 -0.29 0.00 -0.22 0.00 0.00 54.13 54.73 3gdn s LEU 286 Cb 0.06 2.02 -0.05 0.00 0.50 0.00 0.00 46.19 48.71 3gdn s LEU 286 CO 0.69 -0.22 1.80 -0.55 -1.32 0.00 0.00 176.35 176.75 3gdn s SER 287 N 2.35 6.35 -0.41 3.68 0.15 -1.26 -3.07 113.70 121.47 3gdn s SER 287 Ca -0.07 2.10 0.02 0.00 0.70 0.00 0.00 55.95 58.71 3gdn s SER 287 Cb -0.10 -2.53 0.13 0.00 -1.71 0.00 0.00 66.02 61.81 3gdn s SER 287 CO -0.17 -1.21 0.22 -1.00 1.20 0.00 0.00 173.24 172.27 3gdn s HIS 288 N 5.13 1.85 0.39 3.44 3.76 0.09 -4.88 115.29 125.07 3gdn s HIS 288 Ca 0.81 -2.28 0.19 0.00 -0.15 0.00 0.00 55.06 53.63 3gdn s HIS 288 Cb -0.33 -1.79 1.15 0.00 1.11 0.00 0.00 32.58 32.72 3gdn s HIS 288 CO 0.33 -0.80 1.72 -1.35 -0.85 0.00 0.00 174.74 173.79 3gdn h PRO 289 N 6.92 0.33 -0.65 8.40 0.11 -1.91 -2.41 132.00 142.79 3gdn h PRO 289 Ca -0.02 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3gdn h PRO 289 Cb 0.94 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3gdn h PRO 289 CO 0.46 0.22 0.00 0.66 -0.21 0.00 0.00 178.00 179.13 3gdn n TYR 290 N -4.73 0.86 -2.09 0.65 4.02 -1.26 -4.59 117.16 110.02 3gdn n TYR 290 Ca 0.29 -0.43 -0.42 0.00 -0.01 0.00 0.00 57.90 57.32 3gdn n TYR 290 Cb 0.99 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.29 3gdn n TYR 290 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3gdn s VAL 291 N -1.14 3.71 0.00 -0.72 1.01 -1.13 -1.59 120.40 120.55 3gdn s VAL 291 Ca 0.45 0.85 0.00 0.00 0.00 0.00 0.00 61.98 63.29 3gdn s VAL 291 Cb 0.24 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 33.03 3gdn s VAL 291 CO 0.32 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.91 3gdn n GLY 292 N 4.16 0.78 3.97 4.51 0.00 0.89 -4.77 105.19 114.73 3gdn n GLY 292 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 3gdn n GLY 292 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gdn s GLN 293 N -0.59 3.23 -1.12 1.61 -1.52 -0.62 -0.22 119.66 120.43 3gdn s GLN 293 Ca 0.00 -0.72 -0.04 0.00 -1.95 0.00 0.00 55.36 52.65 3gdn s GLN 293 Cb 0.00 -2.74 -0.04 0.00 -0.22 0.00 0.00 33.01 30.01 3gdn s GLN 293 CO 0.00 0.06 0.94 1.19 -0.25 0.00 0.00 175.29 177.23 3gdn n PHE 294 N -1.73 -2.33 -3.45 0.91 3.01 -1.09 -2.91 117.46 109.86 3gdn n PHE 294 Ca -0.02 0.87 -0.38 0.00 1.01 0.00 0.00 57.45 58.93 3gdn n PHE 294 Cb 0.57 -4.46 -0.09 0.00 -0.01 0.00 0.00 39.48 35.50 3gdn n PHE 294 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3gdn s LEU 295 N -5.81 4.08 0.04 4.37 2.96 -0.40 -2.11 118.68 121.80 3gdn s LEU 295 Ca 0.28 0.29 0.08 0.00 -0.22 0.00 0.00 54.13 54.56 3gdn s LEU 295 Cb -0.04 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.25 3gdn s LEU 295 CO 0.74 -0.10 -0.21 -1.00 -1.32 0.00 0.00 176.35 174.46 3gdn s HIS 296 N 1.69 2.47 -0.17 5.38 3.76 0.18 -0.14 115.29 128.45 3gdn s HIS 296 Ca 0.14 -0.32 -0.05 0.00 -0.15 0.00 0.00 55.06 54.69 3gdn s HIS 296 Cb -0.15 -1.44 0.07 0.00 1.11 0.00 0.00 32.58 32.17 3gdn s HIS 296 CO 0.09 0.20 0.11 0.34 -0.85 0.00 0.00 174.74 174.64 3gdn s ASP 297 N -1.36 2.13 0.13 1.40 2.15 -1.26 -0.54 116.67 119.31 3gdn s ASP 297 Ca 0.13 -0.52 -0.31 0.00 0.43 0.00 0.00 52.55 52.29 3gdn s ASP 297 Cb -0.10 -0.12 -0.10 0.00 -0.30 0.00 0.00 42.92 42.30 3gdn s ASP 297 CO 0.04 -0.34 1.73 0.20 -0.17 0.00 0.00 175.17 176.62 3gdn s ASN 298 N 2.18 6.49 0.46 -0.34 -0.87 -1.26 -4.84 114.94 116.75 3gdn s ASN 298 Ca 0.03 2.68 -0.22 0.00 -1.57 0.00 0.00 52.86 53.78 3gdn s ASN 298 Cb -0.16 -2.57 -0.08 0.00 -0.02 0.00 0.00 41.25 38.42 3gdn s ASN 298 CO -0.09 -0.94 1.10 -2.16 -2.57 0.00 0.00 177.10 172.44 3gdn s PRO 299 N 2.23 3.83 -0.16 -0.60 0.04 -1.26 -2.51 135.00 136.57 3gdn s PRO 299 Ca 0.77 1.60 0.01 0.00 0.04 0.00 0.00 61.00 63.41 3gdn s PRO 299 Cb -0.45 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 31.76 3gdn s PRO 299 CO 0.34 -0.45 -0.17 0.50 0.04 0.00 0.00 177.00 177.26 3gdn s ARG 300 N -2.81 3.16 0.16 4.56 3.52 0.52 -2.79 118.95 125.26 3gdn s ARG 300 Ca 0.64 -0.78 0.10 0.00 -0.13 0.00 0.00 55.73 55.56 3gdn s ARG 300 Cb -0.24 -2.59 -0.04 0.00 -1.56 0.00 0.00 34.95 30.52 3gdn s ARG 300 CO 0.29 -0.02 -0.23 -0.80 -0.81 0.00 0.00 175.30 173.73 3gdn s ASN 301 N 0.88 3.12 0.34 -2.12 -0.87 -0.76 -0.93 114.94 114.60 3gdn s ASN 301 Ca -0.04 -0.82 -0.18 0.00 -1.57 0.00 0.00 52.86 50.25 3gdn s ASN 301 Cb -0.15 -0.21 0.04 0.00 -0.02 0.00 0.00 41.25 40.91 3gdn s ASN 301 CO -0.02 0.09 0.75 0.72 -2.57 0.00 0.00 177.10 176.07 3gdn s PHE 302 N -1.59 0.01 -0.03 2.20 -0.12 -1.26 -0.58 117.98 116.61 3gdn s PHE 302 Ca 0.17 -0.58 -0.00 0.00 -0.05 0.00 0.00 56.93 56.46 3gdn s PHE 302 Cb -0.08 0.76 0.03 0.00 -0.63 0.00 0.00 43.02 43.10 3gdn s PHE 302 CO 0.08 -1.42 0.03 0.42 -0.05 0.00 0.00 175.22 174.28 3gdn s ILE 303 N -3.02 -0.01 -0.20 -4.49 -1.09 -0.60 -4.97 121.20 106.82 3gdn s ILE 303 Ca 0.14 0.23 -0.08 0.00 -2.23 0.00 0.00 60.65 58.71 3gdn s ILE 303 Cb -0.05 -0.14 -0.04 0.00 -1.58 0.00 0.00 42.46 40.65 3gdn s ILE 303 CO 0.10 0.12 0.07 0.20 -1.23 0.00 0.00 174.94 174.20 3gdn s ASN 304 N 1.27 5.52 0.03 3.58 0.01 -1.26 -1.04 114.94 123.06 3gdn s ASN 304 Ca -0.06 0.00 0.08 0.00 -0.71 0.00 0.00 52.86 52.17 3gdn s ASN 304 Cb -0.13 -1.96 -0.03 0.00 0.41 0.00 0.00 41.25 39.54 3gdn s ASN 304 CO -0.03 0.11 -0.24 0.27 -1.51 0.00 0.00 177.10 175.70 3gdn s ILE 305 N 0.75 2.31 -0.51 0.60 -4.36 -0.42 -1.92 121.20 117.64 3gdn s ILE 305 Ca 0.04 -1.26 -0.03 0.00 -0.26 0.00 0.00 60.65 59.15 3gdn s ILE 305 Cb -0.13 -1.90 0.13 0.00 1.25 0.00 0.00 42.46 41.82 3gdn s ILE 305 CO 0.02 0.42 0.31 -0.76 0.24 0.00 0.00 174.94 175.17 3gdn s LEU 306 N -1.12 5.21 0.58 0.37 1.43 0.14 -1.59 118.68 123.69 3gdn s LEU 306 Ca 0.12 -2.45 -0.20 0.00 -1.03 0.00 0.00 54.13 50.57 3gdn s LEU 306 Cb -0.10 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 3gdn s LEU 306 CO 0.02 -0.45 1.23 -2.65 0.23 0.00 0.00 176.35 174.73 3gdn n PRO 307 N 4.03 1.34 0.26 1.29 -0.02 -1.26 -4.36 135.00 136.28 3gdn n PRO 307 Ca 0.03 0.50 0.15 0.00 -2.02 0.00 0.00 63.50 62.16 3gdn n PRO 307 Cb 0.39 -2.44 0.63 0.00 -0.02 0.00 0.00 33.50 32.07 3gdn n PRO 307 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3gdn h PRO 308 N 1.00 0.00 -6.19 0.52 0.13 -1.83 -3.41 132.00 122.22 3gdn h PRO 308 Ca -0.50 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.94 3gdn h PRO 308 Cb 1.33 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.15 3gdn h PRO 308 CO 0.55 0.09 -0.88 -0.80 -0.23 0.00 0.00 178.00 176.72 3gdn s ASN 309 N -5.89 3.08 0.33 1.44 0.01 -1.26 -5.11 114.94 107.55 3gdn s ASN 309 Ca 0.00 -0.50 -0.29 0.00 -0.71 0.00 0.00 52.86 51.37 3gdn s ASN 309 Cb 0.10 -0.70 -0.12 0.00 0.41 0.00 0.00 41.25 40.94 3gdn s ASN 309 CO 0.57 0.27 1.40 -0.81 -1.51 0.00 0.00 177.10 177.02 3gdn n PRO 310 N 2.80 2.36 -4.32 -0.60 -0.04 -1.26 -5.03 135.00 128.91 3gdn n PRO 310 Ca -0.17 0.83 -0.23 0.00 -0.04 0.00 0.00 63.50 63.89 3gdn n PRO 310 Cb 0.52 -2.49 -0.08 0.00 -0.04 0.00 0.00 33.50 31.41 3gdn n PRO 310 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3gdn s ILE 311 N -0.84 3.29 0.23 0.52 -4.36 -1.26 -5.11 121.20 113.66 3gdn s ILE 311 Ca 0.57 -1.98 -0.09 0.00 -0.26 0.00 0.00 60.65 58.89 3gdn s ILE 311 Cb -0.54 -2.77 -0.07 0.00 1.25 0.00 0.00 42.46 40.33 3gdn s ILE 311 CO 0.60 -0.37 0.53 -1.83 0.24 0.00 0.00 174.94 174.10 3gdn s GLU 312 N -3.65 3.76 0.49 0.37 1.03 -1.26 -4.87 118.70 114.57 3gdn s GLU 312 Ca 0.31 0.21 -0.22 0.00 0.03 0.00 0.00 54.97 55.30 3gdn s GLU 312 Cb -0.06 -2.67 -0.07 0.00 -0.80 0.00 0.00 34.13 30.54 3gdn s GLU 312 CO 0.19 0.32 1.20 -2.14 -1.33 0.00 0.00 175.26 173.50 3gdn s PRO 313 N -2.88 3.58 0.14 -4.83 0.02 -1.26 -4.60 135.00 125.17 3gdn s PRO 313 Ca 0.46 1.85 -0.05 0.00 0.02 0.00 0.00 61.00 63.28 3gdn s PRO 313 Cb -0.11 -2.33 -0.02 0.00 0.02 0.00 0.00 34.50 32.05 3gdn s PRO 313 CO 0.22 -0.72 0.17 0.95 -0.33 0.00 0.00 177.00 177.30 3gdn s THR 314 N -1.52 0.09 0.00 0.99 -4.23 -1.04 -4.96 115.64 104.98 3gdn s THR 314 Ca 0.66 -1.60 -0.06 0.00 -1.18 0.00 0.00 61.69 59.51 3gdn s THR 314 Cb -0.30 -1.87 -0.05 0.00 1.34 0.00 0.00 72.50 71.62 3gdn s THR 314 CO 0.36 -0.43 0.25 0.27 -0.54 0.00 0.00 174.62 174.54 3gdn s ILE 315 N -3.99 5.33 -0.00 2.99 -4.36 -1.26 -4.44 121.20 115.46 3gdn s ILE 315 Ca 0.18 0.11 -0.30 0.00 -0.26 0.00 0.00 60.65 60.39 3gdn s ILE 315 Cb 0.05 -3.56 -0.06 0.00 1.25 0.00 0.00 42.46 40.15 3gdn s ILE 315 CO -0.01 0.36 1.47 -0.69 0.24 0.00 0.00 174.94 176.31 3gdn s VAL 316 N -1.30 3.62 0.00 8.37 1.01 -1.26 -4.80 120.40 126.04 3gdn s VAL 316 Ca 0.27 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.22 3gdn s VAL 316 Cb -0.13 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3gdn s VAL 316 CO 0.16 -0.02 0.00 0.35 0.00 0.00 0.00 175.10 175.59 3gdn n THR 317 N 4.82 0.00 -3.18 3.92 -2.24 -1.26 -4.59 114.28 111.74 3gdn n THR 317 Ca 0.14 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.52 3gdn n THR 317 Cb 0.43 -0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.45 3gdn n THR 317 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gdn s VAL 318 N -1.05 5.05 -0.06 2.28 1.01 -1.26 -0.47 120.40 125.90 3gdn s VAL 318 Ca 0.00 1.02 0.05 0.00 0.00 0.00 0.00 61.98 63.05 3gdn s VAL 318 Cb 0.00 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 3gdn s VAL 318 CO 0.00 0.10 -0.22 -0.76 0.00 0.00 0.00 175.10 174.23 3gdn s LEU 319 N 2.07 2.25 -0.43 3.92 1.43 -0.16 -4.46 118.68 123.30 3gdn s LEU 319 Ca 0.25 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.85 3gdn s LEU 319 Cb -0.16 -1.43 0.11 0.00 0.03 0.00 0.00 46.19 44.75 3gdn s LEU 319 CO 0.09 0.25 0.26 -0.83 0.23 0.00 0.00 176.35 176.36 3gdn s GLY 320 N -0.21 2.01 -0.24 -3.19 0.00 -0.02 -1.92 107.32 103.76 3gdn s GLY 320 Ca -0.02 -2.54 -0.12 0.00 0.00 0.00 0.00 44.72 42.04 3gdn s GLY 320 CO 0.03 1.06 0.24 -0.42 0.00 0.00 0.00 173.10 174.02 3gdn s ILE 321 N 1.23 5.30 0.33 0.90 -1.09 0.48 -0.89 121.20 127.47 3gdn s ILE 321 Ca 0.07 0.35 0.09 0.00 -2.23 0.00 0.00 60.65 58.93 3gdn s ILE 321 Cb -0.24 -3.58 -0.06 0.00 -1.58 0.00 0.00 42.46 37.01 3gdn s ILE 321 CO -0.03 0.30 -0.04 -0.44 -1.23 0.00 0.00 174.94 173.50 3gdn s SER 322 N 1.15 4.04 0.35 3.58 0.01 -0.39 -0.23 113.70 122.22 3gdn s SER 322 Ca 0.11 -1.02 0.06 0.00 1.31 0.00 0.00 55.95 56.41 3gdn s SER 322 Cb -0.14 -0.49 0.67 0.00 0.21 0.00 0.00 66.02 66.27 3gdn s SER 322 CO 0.06 -0.19 1.90 0.78 0.41 0.00 0.00 173.24 176.21 3gdn h ASN 323 N 1.91 0.43 -0.00 2.44 4.21 -1.99 -3.24 115.58 119.35 3gdn h ASN 323 Ca -0.42 -0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.01 3gdn h ASN 323 Cb 1.25 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 38.34 3gdn h ASN 323 CO 0.67 0.50 -0.80 0.47 -1.29 0.00 0.00 177.43 176.97 3gdn n ASP 324 N -4.30 0.94 -3.57 5.81 8.00 -1.26 -4.84 116.55 117.33 3gdn n ASP 324 Ca 0.01 -0.97 -0.17 0.00 0.71 0.00 0.00 54.79 54.37 3gdn n ASP 324 Cb 0.23 0.95 -0.07 0.00 -0.02 0.00 0.00 41.12 42.22 3gdn n ASP 324 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3gdn s PHE 325 N -2.64 -0.58 -0.06 1.24 -0.12 -1.22 -1.19 117.98 113.41 3gdn s PHE 325 Ca 0.08 1.03 0.05 0.00 -0.05 0.00 0.00 56.93 58.04 3gdn s PHE 325 Cb 0.14 0.34 -0.01 0.00 -0.63 0.00 0.00 43.02 42.86 3gdn s PHE 325 CO 0.71 -0.55 -0.23 0.71 -0.05 0.00 0.00 175.22 175.81 3gdn s TYR 326 N -1.08 2.49 0.19 3.49 4.12 0.45 -1.26 117.35 125.76 3gdn s TYR 326 Ca -0.11 -0.65 0.04 0.00 0.02 0.00 0.00 57.07 56.38 3gdn s TYR 326 Cb -0.01 -1.62 -0.05 0.00 -1.52 0.00 0.00 41.96 38.76 3gdn s TYR 326 CO 0.08 -0.17 -0.06 -0.65 0.02 0.00 0.00 175.55 174.78 3gdn s GLN 327 N -0.20 1.22 0.19 -0.62 -0.21 -0.06 -0.07 119.66 119.91 3gdn s GLN 327 Ca -0.02 -1.57 -0.22 0.00 0.02 0.00 0.00 55.36 53.56 3gdn s GLN 327 Cb -0.13 -0.66 0.07 0.00 1.00 0.00 0.00 33.01 33.29 3gdn s GLN 327 CO 0.03 -0.00 1.01 0.00 -2.12 0.00 0.00 175.29 174.21 3gdn s SER 329 N -3.28 0.99 -0.23 0.00 0.15 -1.26 -1.44 113.70 108.64 3gdn s SER 329 Ca 0.19 -0.01 -0.08 0.00 0.70 0.00 0.00 55.95 56.76 3gdn s SER 329 Cb -0.02 -0.26 -0.03 0.00 -1.71 0.00 0.00 66.02 64.00 3gdn s SER 329 CO 0.05 -0.18 0.08 0.12 1.20 0.00 0.00 173.24 174.51 3gdn s PHE 330 N 1.67 3.14 -0.05 3.44 5.36 -0.31 -4.78 117.98 126.46 3gdn s PHE 330 Ca -0.01 -0.21 -0.01 0.00 -0.96 0.00 0.00 56.93 55.74 3gdn s PHE 330 Cb -0.13 -2.19 -0.04 0.00 -0.34 0.00 0.00 43.02 40.32 3gdn s PHE 330 CO -0.03 -0.17 0.04 -1.54 -1.46 0.00 0.00 175.22 172.06 3gdn s SER 331 N 1.20 5.49 0.21 6.13 1.04 -1.26 0.26 113.70 126.78 3gdn s SER 331 Ca 0.05 0.16 -0.16 0.00 0.48 0.00 0.00 55.95 56.48 3gdn s SER 331 Cb -0.14 -1.57 0.01 0.00 0.10 0.00 0.00 66.02 64.42 3gdn s SER 331 CO 0.04 0.33 0.50 -0.55 0.98 0.00 0.00 173.24 174.54 3gdn s SER 332 N -1.29 -0.18 0.68 7.02 0.15 -0.45 -2.49 113.70 117.15 3gdn s SER 332 Ca 0.18 -0.65 -0.11 0.00 0.70 0.00 0.00 55.95 56.06 3gdn s SER 332 Cb -0.12 0.58 -0.00 0.00 -1.71 0.00 0.00 66.02 64.77 3gdn s SER 332 CO 0.08 -1.08 1.07 -0.76 1.20 0.00 0.00 173.24 173.74 3gdn s LEU 333 N -2.92 3.02 0.92 3.45 1.43 -1.26 -1.75 118.68 121.56 3gdn s LEU 333 Ca 0.13 1.30 -0.10 0.00 -1.03 0.00 0.00 54.13 54.43 3gdn s LEU 333 Cb -0.01 -4.18 0.15 0.00 0.03 0.00 0.00 46.19 42.18 3gdn s LEU 333 CO 0.01 -1.23 1.15 -2.16 0.23 0.00 0.00 176.35 174.35 3gdn s PRO 334 N -5.24 0.98 -0.31 1.29 0.04 -1.23 -4.78 135.00 125.75 3gdn s PRO 334 Ca 0.57 1.58 -0.12 0.00 0.04 0.00 0.00 61.00 63.07 3gdn s PRO 334 Cb -0.12 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 3gdn s PRO 334 CO 0.53 -2.66 0.21 -0.06 0.04 0.00 0.00 177.00 175.06 3gdn s PHE 335 N -2.62 3.22 0.07 0.56 2.99 -0.54 -4.95 117.98 116.70 3gdn s PHE 335 Ca 0.67 -0.07 -0.15 0.00 0.00 0.00 0.00 56.93 57.38 3gdn s PHE 335 Cb -0.23 -2.42 -0.20 0.00 0.00 0.00 0.00 43.02 40.16 3gdn s PHE 335 CO 0.58 -0.27 1.22 1.79 -0.00 0.00 0.00 175.22 178.54 3gdn h THR 336 N 5.44 1.31 -3.25 0.64 1.35 -1.94 -3.42 112.91 113.05 3gdn h THR 336 Ca -0.33 -2.08 -0.40 0.00 -0.55 0.00 0.00 66.41 63.05 3gdn h THR 336 Cb 1.17 2.26 -0.15 0.00 -1.73 0.00 0.00 68.15 69.69 3gdn h THR 336 CO 0.59 0.64 -0.73 0.42 -0.25 0.00 0.00 175.52 176.19 3gdn s THR 337 N -3.49 1.42 0.10 6.82 -4.23 -1.26 -5.11 115.64 109.89 3gdn s THR 337 Ca -0.11 -2.03 -0.31 0.00 -1.18 0.00 0.00 61.69 58.06 3gdn s THR 337 Cb 0.07 -1.84 -0.07 0.00 1.34 0.00 0.00 72.50 72.00 3gdn s THR 337 CO 0.89 -0.61 1.30 -2.16 -0.54 0.00 0.00 174.62 173.50 3gdn s PRO 338 N -3.44 4.38 -0.52 3.99 0.04 -1.26 -4.95 135.00 133.24 3gdn s PRO 338 Ca 0.17 1.93 -0.26 0.00 0.04 0.00 0.00 61.00 62.88 3gdn s PRO 338 Cb -0.01 -3.29 0.03 0.00 0.04 0.00 0.00 34.50 31.28 3gdn s PRO 338 CO 0.03 -0.34 1.02 -2.14 0.04 0.00 0.00 177.00 175.61 3gdn s PRO 339 N 0.98 3.50 0.18 0.56 0.02 -1.26 -4.36 135.00 134.61 3gdn s PRO 339 Ca 0.61 0.11 -0.33 0.00 0.02 0.00 0.00 61.00 61.41 3gdn s PRO 339 Cb -0.33 -3.98 -0.15 0.00 0.02 0.00 0.00 34.50 30.06 3gdn s PRO 339 CO 0.30 -1.42 1.40 0.34 -0.33 0.00 0.00 177.00 177.29 3gdn n PHE 340 N 7.63 1.92 0.00 6.54 7.35 -0.27 -1.53 117.46 139.09 3gdn n PHE 340 Ca 0.06 0.47 0.00 0.00 -0.76 0.00 0.00 57.45 57.22 3gdn n PHE 340 Cb 0.48 -2.43 0.00 0.00 0.35 0.00 0.00 39.48 37.89 3gdn n PHE 340 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3gdn n GLY 341 N 2.56 3.18 0.12 7.13 0.00 -1.26 -4.83 105.19 112.08 3gdn n GLY 341 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 3gdn n GLY 341 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3gdn h PHE 342 N 0.00 -0.17 -3.04 1.61 3.57 -1.62 -3.43 116.94 113.87 3gdn h PHE 342 Ca 0.00 -0.00 -0.63 0.00 3.53 0.00 0.00 57.97 60.87 3gdn h PHE 342 Cb 0.00 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.73 3gdn h PHE 342 CO 0.00 0.17 -0.56 -0.06 -2.23 0.00 0.00 178.31 175.63 3gdn s PHE 343 N -4.76 3.30 0.62 0.41 2.99 -1.26 -4.93 117.98 114.36 3gdn s PHE 343 Ca -0.15 0.13 0.35 0.00 0.00 0.00 0.00 56.93 57.26 3gdn s PHE 343 Cb 0.03 -1.66 2.03 0.00 0.00 0.00 0.00 43.02 43.42 3gdn s PHE 343 CO 0.61 0.54 2.29 -1.00 -0.00 0.00 0.00 175.22 177.67 3gdn h PRO 344 N 3.13 0.00 -4.46 0.24 0.13 -1.83 -3.44 132.00 125.76 3gdn h PRO 344 Ca -0.46 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.49 3gdn h PRO 344 Cb 1.17 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.15 3gdn h PRO 344 CO 0.69 0.00 -0.68 -1.12 -0.23 0.00 0.00 178.00 176.66 3gdn s SER 345 N -5.79 0.80 0.13 1.44 0.01 -1.26 -1.71 113.70 107.32 3gdn s SER 345 Ca -0.05 -1.02 0.25 0.00 1.31 0.00 0.00 55.95 56.44 3gdn s SER 345 Cb 0.14 0.16 0.95 0.00 0.21 0.00 0.00 66.02 67.48 3gdn s SER 345 CO 0.50 -0.55 1.78 -1.54 0.41 0.00 0.00 173.24 173.84 3gdn n SER 346 N 0.01 0.45 -0.46 2.44 3.41 -1.26 -3.14 113.62 115.07 3gdn n SER 346 Ca -0.12 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.16 3gdn n SER 346 Cb 0.61 -0.67 0.46 0.00 -0.26 0.00 0.00 64.21 64.35 3gdn n SER 346 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3gdn n SER 347 N -1.94 1.41 -4.76 4.04 3.41 -1.26 -4.93 113.62 109.59 3gdn n SER 347 Ca 0.05 -1.59 -0.41 0.00 -0.26 0.00 0.00 58.87 56.66 3gdn n SER 347 Cb 0.34 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.21 3gdn n SER 347 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3gdn s TYR 348 N -1.88 2.94 0.21 7.33 5.04 -1.19 -4.95 117.35 124.85 3gdn s TYR 348 Ca 0.34 1.18 -0.30 0.00 -2.44 0.00 0.00 57.07 55.85 3gdn s TYR 348 Cb 0.18 -3.82 -0.09 0.00 0.35 0.00 0.00 41.96 38.59 3gdn s TYR 348 CO 0.29 -2.48 1.37 -1.25 -1.34 0.00 0.00 175.55 172.14 3gdn s PRO 349 N -1.16 4.33 0.17 4.97 0.04 -1.26 -5.00 135.00 137.09 3gdn s PRO 349 Ca 0.55 2.16 -0.13 0.00 0.04 0.00 0.00 61.00 63.62 3gdn s PRO 349 Cb -0.42 -3.17 -0.07 0.00 0.04 0.00 0.00 34.50 30.88 3gdn s PRO 349 CO 0.50 -0.34 0.54 -0.51 0.04 0.00 0.00 177.00 177.23 3gdn s LEU 350 N -0.06 4.28 -0.03 -3.56 1.43 -1.26 -4.87 118.68 114.62 3gdn s LEU 350 Ca 0.59 1.01 -0.30 0.00 -1.03 0.00 0.00 54.13 54.40 3gdn s LEU 350 Cb -0.39 -3.38 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 3gdn s LEU 350 CO 0.39 0.05 1.07 -2.16 0.23 0.00 0.00 176.35 175.93 3gdn s PRO 351 N -2.22 4.46 0.00 1.29 0.04 -1.26 -4.92 135.00 132.38 3gdn s PRO 351 Ca 0.40 1.53 0.23 0.00 0.04 0.00 0.00 61.00 63.20 3gdn s PRO 351 Cb -0.14 -3.48 0.47 0.00 0.04 0.00 0.00 34.50 31.40 3gdn s PRO 351 CO 0.20 -0.23 1.42 0.27 0.04 0.00 0.00 177.00 178.70 3gdn n ASN 352 N 4.43 2.95 -3.73 6.66 0.23 -1.26 -1.47 115.26 123.07 3gdn n ASN 352 Ca 0.08 -1.92 -0.16 0.00 -0.53 0.00 0.00 54.58 52.05 3gdn n ASN 352 Cb 0.49 -0.17 -0.09 0.00 -2.08 0.00 0.00 39.78 37.93 3gdn n ASN 352 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3gdn s SER 353 N -1.62 0.94 0.54 0.53 1.04 -1.26 -4.80 113.70 109.06 3gdn s SER 353 Ca 0.36 -1.57 -0.21 0.00 0.48 0.00 0.00 55.95 55.00 3gdn s SER 353 Cb 0.21 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.77 3gdn s SER 353 CO 0.30 -0.98 1.29 0.42 0.98 0.00 0.00 173.24 175.26 3gdn s THR 354 N -3.75 2.37 0.19 2.02 -4.23 -1.26 -3.50 115.64 107.48 3gdn s THR 354 Ca 0.39 0.27 -0.11 0.00 -1.18 0.00 0.00 61.69 61.06 3gdn s THR 354 Cb 0.04 -3.13 -0.00 0.00 1.34 0.00 0.00 72.50 70.75 3gdn s THR 354 CO 0.20 -0.01 0.35 0.72 -0.54 0.00 0.00 174.62 175.34 3gdn s PHE 355 N -1.39 0.36 -0.07 3.99 -0.12 -0.72 -4.26 117.98 115.76 3gdn s PHE 355 Ca 0.71 -0.71 0.05 0.00 -0.05 0.00 0.00 56.93 56.93 3gdn s PHE 355 Cb -0.37 0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.05 3gdn s PHE 355 CO 0.43 -0.81 -0.24 0.00 -0.05 0.00 0.00 175.22 174.55 3gdn s ALA 356 N -3.98 2.19 -0.41 1.99 0.00 -0.62 -1.34 121.76 119.60 3gdn s ALA 356 Ca 0.18 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 51.06 3gdn s ALA 356 Cb 0.02 -0.73 0.09 0.00 0.00 0.00 0.00 23.12 22.50 3gdn s ALA 356 CO 0.02 0.38 0.22 -1.58 0.00 0.00 0.00 175.76 174.80 3gdn s HIS 357 N -0.02 3.44 -0.40 0.00 2.46 0.14 -1.31 115.29 119.61 3gdn s HIS 357 Ca -0.08 -1.97 -0.23 0.00 0.47 0.00 0.00 55.06 53.25 3gdn s HIS 357 Cb -0.15 -3.03 0.02 0.00 -0.13 0.00 0.00 32.58 29.28 3gdn s HIS 357 CO 0.05 -0.91 0.80 -0.06 -2.47 0.00 0.00 174.74 172.15 3gdn s PHE 358 N 1.28 3.06 0.01 3.88 0.40 -0.20 -1.16 117.98 125.26 3gdn s PHE 358 Ca 0.04 0.45 0.02 0.00 -0.60 0.00 0.00 56.93 56.84 3gdn s PHE 358 Cb -0.23 -3.54 -0.04 0.00 0.51 0.00 0.00 43.02 39.73 3gdn s PHE 358 CO -0.01 -0.84 -0.01 0.00 0.70 0.00 0.00 175.22 175.06 3gdn s ALA 359 N 3.23 3.25 -0.09 5.36 0.00 -0.52 -1.55 121.76 131.45 3gdn s ALA 359 Ca 0.32 -0.99 -0.00 0.00 0.00 0.00 0.00 51.96 51.29 3gdn s ALA 359 Cb -0.13 -1.29 0.02 0.00 0.00 0.00 0.00 23.12 21.73 3gdn s ALA 359 CO 0.19 0.65 -0.06 0.45 0.00 0.00 0.00 175.76 177.00 3gdn s SER 360 N -1.66 1.81 -0.21 0.00 0.15 0.25 -2.24 113.70 111.81 3gdn s SER 360 Ca 0.20 -0.22 -0.06 0.00 0.70 0.00 0.00 55.95 56.57 3gdn s SER 360 Cb -0.11 -0.68 -0.03 0.00 -1.71 0.00 0.00 66.02 63.48 3gdn s SER 360 CO 0.11 -0.11 0.04 -0.75 1.20 0.00 0.00 173.24 173.73 3gdn s LYS 361 N 1.54 3.73 0.15 5.44 2.20 0.91 -1.82 119.74 131.88 3gdn s LYS 361 Ca 0.00 -0.46 -0.30 0.00 -0.36 0.00 0.00 55.97 54.85 3gdn s LYS 361 Cb -0.13 -3.18 -0.07 0.00 -1.51 0.00 0.00 37.83 32.94 3gdn s LYS 361 CO -0.05 0.03 1.04 0.08 -0.36 0.00 0.00 175.35 176.10 3gdn s VAL 362 N 0.99 4.14 0.77 4.02 1.01 -1.12 -0.41 120.40 129.80 3gdn s VAL 362 Ca 0.03 1.81 -0.13 0.00 0.00 0.00 0.00 61.98 63.69 3gdn s VAL 362 Cb -0.14 -4.16 0.06 0.00 0.00 0.00 0.00 36.38 32.14 3gdn s VAL 362 CO 0.02 0.29 1.17 0.00 0.00 0.00 0.00 175.10 176.58 3gdn s ALA 363 N -0.11 2.03 0.00 5.51 0.00 -0.33 -4.51 121.76 124.35 3gdn s ALA 363 Ca 0.48 0.70 0.00 0.00 0.00 0.00 0.00 51.96 53.14 3gdn s ALA 363 Cb -0.27 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3gdn s ALA 363 CO 0.32 -1.99 0.00 0.41 0.00 0.00 0.00 175.76 174.50 3gdn n GLY 364 N 0.04 0.97 3.94 0.00 0.00 -1.26 -4.38 105.19 104.49 3gdn n GLY 364 Ca 0.12 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 3gdn n GLY 364 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gdn s PRO 365 N 0.00 3.15 0.19 1.61 0.04 -1.26 -1.04 135.00 137.68 3gdn s PRO 365 Ca 0.00 -0.25 0.06 0.00 0.04 0.00 0.00 61.00 60.85 3gdn s PRO 365 Cb 0.00 -2.47 0.05 0.00 0.04 0.00 0.00 34.50 32.12 3gdn s PRO 365 CO 0.00 -0.32 1.43 -0.07 0.04 0.00 0.00 177.00 178.08 3gdn h LEU 366 N 0.27 0.10-10.00 -3.56 3.38 -1.94 -3.45 115.31 100.11 3gdn h LEU 366 Ca -0.46 -0.08 -0.50 0.00 0.09 0.00 0.00 57.88 56.93 3gdn h LEU 366 Cb 1.24 -0.03 0.05 0.00 0.09 0.00 0.00 40.66 42.01 3gdn h LEU 366 CO 0.59 0.88 0.46 -0.44 0.09 0.00 0.00 178.44 180.02 3gdn s SER 367 N -6.84 6.29 0.19 -0.43 0.01 -1.26 -4.93 113.70 106.74 3gdn s SER 367 Ca -0.01 2.21 -0.17 0.00 1.31 0.00 0.00 55.95 59.29 3gdn s SER 367 Cb 0.11 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.77 3gdn s SER 367 CO 0.80 -0.83 0.50 -0.72 0.41 0.00 0.00 173.24 173.41 3gdn s TYR 368 N -1.61 -0.08 0.00 2.43 -0.85 -1.23 -4.57 117.35 111.44 3gdn s TYR 368 Ca 0.63 -0.26 0.00 0.00 -0.52 0.00 0.00 57.07 56.92 3gdn s TYR 368 Cb -0.26 0.36 0.00 0.00 0.38 0.00 0.00 41.96 42.44 3gdn s TYR 368 CO 0.32 -0.90 0.00 0.41 -1.52 0.00 0.00 175.55 173.86 3gdn n GLY 369 N -0.33 5.42 3.32 5.49 0.00 0.80 -4.51 105.19 115.39 3gdn n GLY 369 Ca -0.10 -1.21 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 3gdn n GLY 369 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gdn s SER 370 N 1.00 0.09 -0.08 1.61 1.04 -0.93 -1.28 113.70 115.15 3gdn s SER 370 Ca 0.00 -1.12 0.03 0.00 0.48 0.00 0.00 55.95 55.35 3gdn s SER 370 Cb 0.00 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 3gdn s SER 370 CO 0.00 -0.91 -0.19 -0.22 0.98 0.00 0.00 173.24 172.90 3gdn s LEU 371 N -3.06 2.42 0.08 2.42 0.20 0.69 -2.11 118.68 119.33 3gdn s LEU 371 Ca 0.27 -0.39 0.03 0.00 0.69 0.00 0.00 54.13 54.74 3gdn s LEU 371 Cb 0.04 -1.49 -0.03 0.00 -0.43 0.00 0.00 46.19 44.28 3gdn s LEU 371 CO 0.07 0.23 -0.10 0.42 -0.29 0.00 0.00 176.35 176.68 3gdn s THR 372 N -0.08 0.83 0.46 3.68 -4.23 -0.21 -4.75 115.64 111.34 3gdn s THR 372 Ca -0.04 -1.46 -0.22 0.00 -1.18 0.00 0.00 61.69 58.79 3gdn s THR 372 Cb -0.14 -1.14 -0.08 0.00 1.34 0.00 0.00 72.50 72.48 3gdn s THR 372 CO 0.04 -0.49 1.07 -0.76 -0.54 0.00 0.00 174.62 173.94 3gdn s LEU 373 N -2.16 3.95 -0.01 4.79 1.43 -1.26 0.26 118.68 125.68 3gdn s LEU 373 Ca 0.01 2.04 0.14 0.00 -1.03 0.00 0.00 54.13 55.29 3gdn s LEU 373 Cb -0.05 -4.40 -0.18 0.00 0.03 0.00 0.00 46.19 41.59 3gdn s LEU 373 CO -0.00 -0.75 0.49 0.29 0.23 0.00 0.00 176.35 176.61 3gdn n LYS 374 N -0.65 1.58 -3.78 1.70 5.02 -1.26 -4.68 118.16 116.09 3gdn n LYS 374 Ca 0.08 -0.05 -0.14 0.00 -2.02 0.00 0.00 58.31 56.18 3gdn n LYS 374 Cb 0.51 -1.24 -0.15 0.00 -0.02 0.00 0.00 35.03 34.13 3gdn n LYS 374 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3gdn s SER 375 N -2.87 -0.03 0.00 4.39 0.15 -1.26 -5.03 113.70 109.06 3gdn s SER 375 Ca 0.01 0.15 0.30 0.00 0.70 0.00 0.00 55.95 57.11 3gdn s SER 375 Cb 0.10 0.07 1.46 0.00 -1.71 0.00 0.00 66.02 65.94 3gdn s SER 375 CO 0.59 -0.11 1.99 -1.54 1.20 0.00 0.00 173.24 175.37 3gdn n SER 376 N 3.90 0.42 0.00 5.45 3.41 -1.26 -4.34 113.62 121.20 3gdn n SER 376 Ca -0.23 -0.81 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 3gdn n SER 376 Cb 0.53 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3gdn n SER 376 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3gdn n SER 377 N -0.83 0.70 -4.48 4.04 3.41 -1.26 -4.95 113.62 110.26 3gdn n SER 377 Ca 0.18 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.36 3gdn n SER 377 Cb 0.23 0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.18 3gdn n SER 377 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3gdn s ASN 378 N -1.12 6.22 0.13 4.04 3.84 -1.26 -4.92 114.94 121.86 3gdn s ASN 378 Ca 0.00 -0.70 0.19 0.00 0.21 0.00 0.00 52.86 52.56 3gdn s ASN 378 Cb 0.00 -2.25 0.81 0.00 -0.55 0.00 0.00 41.25 39.26 3gdn s ASN 378 CO 0.00 -0.67 1.59 0.55 -2.79 0.00 0.00 177.10 175.78 3gdn n VAL 379 N 5.52 0.90 1.14 -5.21 3.14 -1.26 -2.23 118.33 120.33 3gdn n VAL 379 Ca -0.07 0.23 0.13 0.00 -2.96 0.00 0.00 64.34 61.68 3gdn n VAL 379 Cb 0.47 -1.07 0.49 0.00 -1.06 0.00 0.00 33.84 32.67 3gdn n VAL 379 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3gdn n ARG 380 N -1.87 0.25 -3.16 1.45 1.74 -1.26 -4.72 116.66 109.09 3gdn n ARG 380 Ca 0.03 -0.09 -0.41 0.00 -0.77 0.00 0.00 57.85 56.61 3gdn n ARG 380 Cb 0.20 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.08 3gdn n ARG 380 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gdn s VAL 381 N -2.81 4.99 0.29 1.55 1.01 -0.95 -5.02 120.40 119.45 3gdn s VAL 381 Ca 0.18 0.84 -0.30 0.00 0.00 0.00 0.00 61.98 62.71 3gdn s VAL 381 Cb 0.19 -3.94 -0.13 0.00 0.00 0.00 0.00 36.38 32.50 3gdn s VAL 381 CO 0.56 -0.06 1.36 -1.20 0.00 0.00 0.00 175.10 175.77 3gdn n SER 382 N 5.74 2.80 -4.77 3.32 7.64 -1.26 -4.72 113.62 122.37 3gdn n SER 382 Ca -0.02 1.17 -0.30 0.00 1.01 0.00 0.00 58.87 60.73 3gdn n SER 382 Cb 0.49 -1.46 0.11 0.00 -1.01 0.00 0.00 64.21 62.34 3gdn n SER 382 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3gdn s PRO 383 N -1.05 1.74 0.03 1.43 0.02 -1.26 -4.33 135.00 131.58 3gdn s PRO 383 Ca 0.62 0.74 -0.19 0.00 0.02 0.00 0.00 61.00 62.19 3gdn s PRO 383 Cb -0.61 -1.87 -0.06 0.00 0.02 0.00 0.00 34.50 31.98 3gdn s PRO 383 CO 0.55 -1.89 0.56 -0.80 -0.33 0.00 0.00 177.00 175.10 3gdn s ASN 384 N -3.67 7.00 -0.01 2.53 0.01 0.14 -4.90 114.94 116.04 3gdn s ASN 384 Ca 0.62 1.18 0.00 0.00 -0.71 0.00 0.00 52.86 53.95 3gdn s ASN 384 Cb -0.16 -2.35 0.01 0.00 0.41 0.00 0.00 41.25 39.16 3gdn s ASN 384 CO 0.55 0.20 0.01 0.68 -1.51 0.00 0.00 177.10 177.03 3gdn s VAL 385 N -0.67 0.01 -0.03 1.60 -7.23 -1.26 -1.04 120.40 111.77 3gdn s VAL 385 Ca 0.29 0.06 0.03 0.00 -1.81 0.00 0.00 61.98 60.56 3gdn s VAL 385 Cb -0.19 -0.06 0.00 0.00 0.56 0.00 0.00 36.38 36.70 3gdn s VAL 385 CO 0.18 0.04 -0.12 -0.75 -0.31 0.00 0.00 175.10 174.14 3gdn s LYS 386 N 0.39 1.24 -0.01 4.82 2.20 -0.89 -0.12 119.74 127.36 3gdn s LYS 386 Ca -0.03 -0.40 0.13 0.00 -0.36 0.00 0.00 55.97 55.31 3gdn s LYS 386 Cb -0.05 -1.12 -0.19 0.00 -1.51 0.00 0.00 37.83 34.97 3gdn s LYS 386 CO -0.01 0.15 0.39 1.19 -0.36 0.00 0.00 175.35 176.71 3gdn n PHE 387 N 3.28 0.00 -3.62 4.03 3.01 -1.26 -2.18 117.46 120.72 3gdn n PHE 387 Ca -0.18 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.07 3gdn n PHE 387 Cb 0.54 -0.20 0.05 0.00 -0.01 0.00 0.00 39.48 39.86 3gdn n PHE 387 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3gdn n ASN 388 N -1.73 -1.60 -4.59 4.37 3.02 -1.26 -3.48 115.26 109.98 3gdn n ASN 388 Ca -0.01 -0.77 -0.50 0.00 -0.03 0.00 0.00 54.58 53.28 3gdn n ASN 388 Cb 0.30 -4.36 -0.05 0.00 -0.61 0.00 0.00 39.78 35.07 3gdn n ASN 388 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3gdn n TYR 389 N -4.20 1.46 -1.64 3.10 4.02 -1.26 -1.65 117.16 116.98 3gdn n TYR 389 Ca -0.29 0.64 -0.21 0.00 -0.01 0.00 0.00 57.90 58.03 3gdn n TYR 389 Cb 0.67 -2.32 -0.08 0.00 -0.02 0.00 0.00 39.34 37.59 3gdn n TYR 389 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3gdn n TYR 390 N 1.93 -0.05 0.11 -0.72 0.53 -1.26 -4.84 117.16 112.86 3gdn n TYR 390 Ca 0.16 0.00 -0.01 0.00 -1.02 0.00 0.00 57.90 57.03 3gdn n TYR 390 Cb 0.23 -3.48 0.24 0.00 -1.03 0.00 0.00 39.34 35.31 3gdn n TYR 390 CO 0.00 0.00 0.00 0.66 -1.02 0.00 0.00 176.86 176.50 3gdn h SER 391 N 0.00 0.20 -3.63 7.72 4.64 -1.68 -3.38 113.55 117.42 3gdn h SER 391 Ca -0.43 -0.08 -0.64 0.00 -0.47 0.00 0.00 61.79 60.17 3gdn h SER 391 Cb 1.35 -0.06 -0.15 0.00 -0.31 0.00 0.00 62.40 63.23 3gdn h SER 391 CO 0.62 0.60 -0.11 0.21 -0.87 0.00 0.00 176.83 177.28 3gdn s ASN 392 N -6.88 6.31 0.65 4.97 3.84 -1.26 -4.95 114.94 117.61 3gdn s ASN 392 Ca -0.04 0.12 0.43 0.00 0.21 0.00 0.00 52.86 53.58 3gdn s ASN 392 Cb 0.13 -2.25 2.31 0.00 -0.55 0.00 0.00 41.25 40.90 3gdn s ASN 392 CO 0.76 -0.36 2.34 -0.07 -2.79 0.00 0.00 177.10 176.98 3gdn h LEU 393 N 8.89 0.00 -0.83 3.21 3.38 -2.01 -1.43 115.31 126.51 3gdn h LEU 393 Ca -0.29 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.56 3gdn h LEU 393 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3gdn h LEU 393 CO 0.72 0.00 -0.43 0.74 0.09 0.00 0.00 178.44 179.56 3gdn h THR 394 N 0.00 1.32 -0.69 0.22 2.02 -1.93 -0.93 112.91 112.91 3gdn h THR 394 Ca -0.00 -1.59 -0.07 0.00 0.77 0.00 0.00 66.41 65.52 3gdn h THR 394 Cb 0.04 1.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 3gdn h THR 394 CO 0.00 0.48 0.16 0.44 0.37 0.00 0.00 175.52 176.97 3gdn h ASP 395 N 0.27 1.05 -0.36 4.18 3.32 -1.64 -1.77 116.42 121.48 3gdn h ASP 395 Ca 0.02 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 3gdn h ASP 395 Cb 0.88 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3gdn h ASP 395 CO 0.07 1.01 0.11 0.25 -1.72 0.00 0.00 179.24 178.96 3gdn h LEU 396 N 1.05 0.52 -0.78 1.55 5.85 -1.43 -0.75 115.31 121.33 3gdn h LEU 396 Ca 0.22 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.79 3gdn h LEU 396 Cb 0.38 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 3gdn h LEU 396 CO 0.00 0.60 0.46 -1.28 -0.34 0.00 0.00 178.44 177.88 3gdn h SER 397 N 0.42 0.72 -0.18 1.25 0.87 -0.97 -0.61 113.55 115.04 3gdn h SER 397 Ca 0.11 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.62 3gdn h SER 397 Cb 0.26 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 3gdn h SER 397 CO -0.00 0.46 -0.13 0.45 -0.53 0.00 0.00 176.83 177.07 3gdn h HIS 398 N 0.85 0.62 -0.54 2.24 3.86 -0.97 -1.48 115.15 119.74 3gdn h HIS 398 Ca 0.34 -0.10 -0.08 0.00 -1.16 0.00 0.00 60.37 59.37 3gdn h HIS 398 Cb 0.18 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 3gdn h HIS 398 CO -0.05 0.68 0.03 0.00 0.86 0.00 0.00 177.93 179.45 3gdn h VAL 400 N 0.81 1.04 -0.86 0.00 2.07 -0.77 0.12 116.25 118.66 3gdn h VAL 400 Ca 0.16 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 3gdn h VAL 400 Cb 0.49 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3gdn h VAL 400 CO 0.02 0.04 0.47 0.28 0.02 0.00 0.00 177.57 178.40 3gdn h SER 401 N 0.12 1.08 -0.35 0.57 0.02 -1.15 -1.40 113.55 112.44 3gdn h SER 401 Ca 0.04 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 3gdn h SER 401 Cb 0.00 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 3gdn h SER 401 CO -0.01 0.87 0.16 1.23 -1.14 0.00 0.00 176.83 177.93 3gdn h GLY 402 N 1.20 0.56 2.00 -3.77 0.00 -0.48 -1.88 103.07 100.70 3gdn h GLY 402 Ca 0.30 -0.29 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 3gdn h GLY 402 CO -0.05 0.28 -0.38 -0.33 0.00 0.00 0.00 176.54 176.06 3gdn h MET 403 N 0.43 0.00 -0.31 4.80 2.07 -0.51 -1.72 114.93 119.70 3gdn h MET 403 Ca 0.12 0.00 -0.12 0.00 -2.07 0.00 0.00 59.70 57.63 3gdn h MET 403 Cb 0.16 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.87 3gdn h MET 403 CO -0.01 0.38 -0.29 0.87 1.07 0.00 0.00 176.91 178.93 3gdn h LYS 404 N 0.00 0.63 -0.49 1.72 1.57 -1.00 -0.22 116.57 118.78 3gdn h LYS 404 Ca -0.00 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 3gdn h LYS 404 Cb 0.84 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 3gdn h LYS 404 CO 0.05 0.85 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.46 3gdn h LYS 405 N 0.54 0.90 -0.62 3.15 1.63 -0.72 -0.47 116.57 120.97 3gdn h LYS 405 Ca 0.07 -0.31 -0.03 0.00 -0.85 0.00 0.00 60.65 59.53 3gdn h LYS 405 Cb 0.77 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.30 3gdn h LYS 405 CO 0.06 0.96 0.28 0.82 -3.45 0.00 0.00 179.45 178.12 3gdn h ILE 406 N 0.81 1.21 -0.84 2.00 1.08 -0.91 -0.55 117.51 120.30 3gdn h ILE 406 Ca 0.13 -0.63 0.00 0.00 -0.39 0.00 0.00 64.86 63.98 3gdn h ILE 406 Cb 0.62 0.44 -0.04 0.00 -3.07 0.00 0.00 36.82 34.77 3gdn h ILE 406 CO 0.04 0.26 0.55 1.23 -0.69 0.00 0.00 178.15 179.53 3gdn h GLY 407 N 0.98 1.19 0.92 5.37 0.00 0.11 -0.84 103.07 110.80 3gdn h GLY 407 Ca 0.22 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 3gdn h GLY 407 CO -0.02 0.45 0.11 0.83 0.00 0.00 0.00 176.54 177.90 3gdn h GLU 408 N 1.15 0.55 -0.60 4.80 5.08 0.37 -2.19 114.58 123.73 3gdn h GLU 408 Ca 0.31 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 3gdn h GLU 408 Cb -0.11 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.01 3gdn h GLU 408 CO -0.06 0.57 0.34 -0.07 -1.00 0.00 0.00 179.01 178.79 3gdn h LEU 409 N 0.42 0.52 -2.32 1.33 4.07 -0.55 -0.60 115.31 118.18 3gdn h LEU 409 Ca 0.11 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 3gdn h LEU 409 Cb 0.25 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 41.91 3gdn h LEU 409 CO -0.00 0.35 -0.03 -0.07 -1.08 0.00 0.00 178.44 177.60 3gdn h LEU 410 N 0.65 0.00 -1.71 1.67 3.38 -0.92 -2.24 115.31 116.13 3gdn h LEU 410 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3gdn h LEU 410 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3gdn h LEU 410 CO -0.15 0.03 0.00 -1.20 0.09 0.00 0.00 178.44 177.22 3gdn n SER 411 N -3.35 2.61 -4.82 -0.43 7.64 -0.27 -4.64 113.62 110.36 3gdn n SER 411 Ca -0.02 -1.85 -0.32 0.00 1.01 0.00 0.00 58.87 57.69 3gdn n SER 411 Cb 0.16 -0.08 0.03 0.00 -1.01 0.00 0.00 64.21 63.31 3gdn n SER 411 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3gdn s THR 412 N -1.84 4.07 0.36 0.44 -4.23 -0.84 -4.83 115.64 108.76 3gdn s THR 412 Ca 0.34 0.79 0.05 0.00 -1.18 0.00 0.00 61.69 61.68 3gdn s THR 412 Cb 0.21 -3.46 0.20 0.00 1.34 0.00 0.00 72.50 70.78 3gdn s THR 412 CO 0.31 -0.76 1.94 0.44 -0.54 0.00 0.00 174.62 176.01 3gdn h ASP 413 N -0.19 0.52 -0.95 3.99 3.32 -1.93 -2.65 116.42 118.54 3gdn h ASP 413 Ca -0.45 -0.06 0.11 0.00 0.02 0.00 0.00 57.03 56.65 3gdn h ASP 413 Cb 1.21 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 40.55 3gdn h ASP 413 CO 0.58 0.50 0.60 0.00 -1.72 0.00 0.00 179.24 179.20 3gdn h ALA 414 N 1.58 1.61 -0.01 3.45 0.00 -1.91 -2.64 119.26 121.34 3gdn h ALA 414 Ca 0.14 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3gdn h ALA 414 Cb 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3gdn h ALA 414 CO -0.01 0.17 -0.52 1.28 0.00 0.00 0.00 179.25 180.17 3gdn n LEU 415 N -4.57 1.35 -0.31 0.00 4.77 -1.01 -4.42 117.00 112.80 3gdn n LEU 415 Ca 0.17 -0.47 0.11 0.00 -0.03 0.00 0.00 56.01 55.80 3gdn n LEU 415 Cb 0.35 -0.07 0.29 0.00 -2.33 0.00 0.00 43.42 41.66 3gdn n LEU 415 CO 0.29 0.27 1.10 0.11 -1.33 0.00 0.00 177.39 177.83 3gdn h LYS 416 N 1.30 0.55 0.00 3.23 1.57 -1.28 0.53 116.57 122.46 3gdn h LYS 416 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3gdn h LYS 416 Cb 0.60 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3gdn h LYS 416 CO 0.00 0.36 0.00 -2.30 -0.57 0.00 0.00 179.45 176.94 3gdn n PRO 417 N -4.92 0.12 -0.44 3.15 -0.02 -1.26 -2.03 135.00 129.59 3gdn n PRO 417 Ca 0.21 0.58 0.09 0.00 -2.02 0.00 0.00 63.50 62.37 3gdn n PRO 417 Cb 0.57 -1.86 0.30 0.00 -0.02 0.00 0.00 33.50 32.50 3gdn n PRO 417 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3gdn n TYR 418 N -2.10 1.10 -3.32 6.00 4.02 0.18 -4.83 117.16 118.21 3gdn n TYR 418 Ca -0.01 -0.57 -0.30 0.00 -0.01 0.00 0.00 57.90 57.02 3gdn n TYR 418 Cb 0.05 -0.13 -0.04 0.00 -0.02 0.00 0.00 39.34 39.21 3gdn n TYR 418 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3gdn s LYS 419 N -1.47 3.69 0.15 -0.72 1.02 -0.86 -4.36 119.74 117.20 3gdn s LYS 419 Ca 0.45 0.12 0.21 0.00 0.02 0.00 0.00 55.97 56.77 3gdn s LYS 419 Cb 0.27 -2.63 -0.06 0.00 -0.52 0.00 0.00 37.83 34.90 3gdn s LYS 419 CO 0.25 0.22 0.95 1.33 -0.92 0.00 0.00 175.35 177.18 3gdn n VAL 420 N -0.75 0.70 -3.98 3.17 0.24 0.75 -4.65 118.33 113.81 3gdn n VAL 420 Ca -0.01 -0.58 -0.14 0.00 -2.04 0.00 0.00 64.34 61.57 3gdn n VAL 420 Cb 0.53 -0.40 -0.14 0.00 -1.47 0.00 0.00 33.84 32.36 3gdn n VAL 420 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3gdn s GLU 421 N -3.28 0.19 -1.10 7.34 2.12 -0.72 -5.06 118.70 118.19 3gdn s GLU 421 Ca -0.02 -0.06 -0.22 0.00 0.36 0.00 0.00 54.97 55.03 3gdn s GLU 421 Cb 0.10 -0.21 -0.02 0.00 0.26 0.00 0.00 34.13 34.26 3gdn s GLU 421 CO 0.80 0.03 1.80 0.34 -0.54 0.00 0.00 175.26 177.69 3gdn s ASP 422 N 0.08 5.72 0.28 -1.70 -1.08 -1.26 -4.44 116.67 114.27 3gdn s ASP 422 Ca -0.00 -1.51 0.08 0.00 -0.52 0.00 0.00 52.55 50.59 3gdn s ASP 422 Cb -0.02 -2.58 -0.06 0.00 -1.46 0.00 0.00 42.92 38.80 3gdn s ASP 422 CO -0.00 -2.29 -0.09 -0.76 0.52 0.00 0.00 175.17 172.55 3gdn s LEU 423 N 8.18 2.55 0.66 -1.34 1.43 -1.26 -5.06 118.68 123.85 3gdn s LEU 423 Ca 0.62 -1.15 -0.14 0.00 -1.03 0.00 0.00 54.13 52.43 3gdn s LEU 423 Cb -0.01 -0.76 -0.00 0.00 0.03 0.00 0.00 46.19 45.45 3gdn s LEU 423 CO 0.04 -0.25 1.08 -2.16 0.23 0.00 0.00 176.35 175.28 3gdn s PRO 424 N -3.67 2.91 1.52 1.29 0.04 -1.26 -4.71 135.00 131.12 3gdn s PRO 424 Ca 0.29 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.52 3gdn s PRO 424 Cb 0.02 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.58 3gdn s PRO 424 CO 0.12 -1.13 0.00 0.41 0.04 0.00 0.00 177.00 176.44 3gdn n GLY 425 N -1.12 2.66 0.00 0.56 0.00 -1.26 -1.33 105.19 104.71 3gdn n GLY 425 Ca 0.09 0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.39 3gdn n GLY 425 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gdn n VAL 426 N 0.00 0.00 -3.46 1.61 0.24 -1.26 -4.10 118.33 111.36 3gdn n VAL 426 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.02 3gdn n VAL 426 Cb 0.00 -0.50 -0.03 0.00 -1.47 0.00 0.00 33.84 31.83 3gdn n VAL 426 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3gdn s GLU 427 N -2.24 3.60 0.00 7.34 2.02 -0.44 -4.49 118.70 124.49 3gdn s GLU 427 Ca 0.40 -0.10 0.00 0.00 0.02 0.00 0.00 54.97 55.29 3gdn s GLU 427 Cb 0.21 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.73 3gdn s GLU 427 CO 0.41 0.28 0.00 0.41 0.02 0.00 0.00 175.26 176.38 3gdn n GLY 428 N -0.81 0.87 3.91 -1.39 0.00 -1.26 -4.23 105.19 102.28 3gdn n GLY 428 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 3gdn n GLY 428 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gdn s PHE 429 N -2.00 3.48 -0.62 1.61 0.40 -1.26 -0.17 117.98 119.42 3gdn s PHE 429 Ca 0.00 0.55 -0.20 0.00 -0.60 0.00 0.00 56.93 56.68 3gdn s PHE 429 Cb 0.00 -2.03 0.09 0.00 0.51 0.00 0.00 43.02 41.59 3gdn s PHE 429 CO 0.00 0.20 0.81 1.21 0.70 0.00 0.00 175.22 178.14 3gdn s ASN 430 N -3.27 6.18 -0.01 1.36 3.04 -1.26 -4.85 114.94 116.13 3gdn s ASN 430 Ca 0.42 -1.27 -0.18 0.00 0.04 0.00 0.00 52.86 51.87 3gdn s ASN 430 Cb -0.11 -2.35 -0.05 0.00 -1.54 0.00 0.00 41.25 37.20 3gdn s ASN 430 CO 0.31 -1.24 0.52 -0.63 -3.04 0.00 0.00 177.10 173.01 3gdn s ILE 431 N 3.22 4.96 -0.29 -5.21 -1.09 -1.26 -0.69 121.20 120.85 3gdn s ILE 431 Ca 0.16 1.08 -0.09 0.00 -2.23 0.00 0.00 60.65 59.57 3gdn s ILE 431 Cb -0.21 -3.85 -0.01 0.00 -1.58 0.00 0.00 42.46 36.81 3gdn s ILE 431 CO 0.08 0.47 0.12 -0.22 -1.23 0.00 0.00 174.94 174.16 3gdn s LEU 432 N -0.41 3.88 0.00 2.97 2.96 -0.81 -4.97 118.68 122.30 3gdn s LEU 432 Ca 0.28 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.77 3gdn s LEU 432 Cb -0.17 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.54 3gdn s LEU 432 CO 0.15 -0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.65 3gdn n GLY 433 N 4.96 -1.29 3.66 7.98 0.00 -1.26 -4.16 105.19 115.07 3gdn n GLY 433 Ca -0.15 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 3gdn n GLY 433 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gdn s ILE 434 N 0.00 4.30 0.67 -0.61 1.01 -1.26 -5.03 121.20 120.28 3gdn s ILE 434 Ca 0.00 1.58 -0.10 0.00 0.00 0.00 0.00 60.65 62.13 3gdn s ILE 434 Cb 0.00 -4.02 0.01 0.00 0.01 0.00 0.00 42.46 38.47 3gdn s ILE 434 CO 0.00 -0.12 1.04 -2.16 0.00 0.00 0.00 174.94 173.70 3gdn s PRO 435 N 3.35 2.89 0.64 2.79 0.04 -1.26 -4.88 135.00 138.57 3gdn s PRO 435 Ca 0.54 0.33 -0.14 0.00 0.04 0.00 0.00 61.00 61.77 3gdn s PRO 435 Cb -0.22 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 3gdn s PRO 435 CO 0.15 -0.93 1.07 -0.51 0.04 0.00 0.00 177.00 176.81 3gdn s LEU 436 N -5.25 3.36 0.54 -3.56 1.43 -1.26 -4.98 118.68 108.96 3gdn s LEU 436 Ca 0.57 1.79 -0.21 0.00 -1.03 0.00 0.00 54.13 55.24 3gdn s LEU 436 Cb -0.11 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.54 3gdn s LEU 436 CO 0.50 -1.35 1.27 -2.84 0.23 0.00 0.00 176.35 174.15 3gdn s PRO 437 N -4.39 3.24 0.13 1.29 0.02 -1.26 -4.90 135.00 129.14 3gdn s PRO 437 Ca 0.62 2.01 -0.15 0.00 0.02 0.00 0.00 61.00 63.50 3gdn s PRO 437 Cb -0.16 -2.20 -0.00 0.00 0.02 0.00 0.00 34.50 32.15 3gdn s PRO 437 CO 0.43 -1.04 1.65 0.87 -0.33 0.00 0.00 177.00 178.59 3gdn h LYS 438 N 1.45 0.65 -6.59 5.54 1.57 -1.99 -3.40 116.57 113.80 3gdn h LYS 438 Ca -0.50 -0.14 -0.56 0.00 -1.87 0.00 0.00 60.65 57.58 3gdn h LYS 438 Cb 1.29 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 33.44 3gdn h LYS 438 CO 0.57 0.64 1.00 0.34 -0.57 0.00 0.00 179.45 181.44 3gdn s ASP 439 N -5.97 6.43 0.00 0.86 -1.08 -1.26 -4.89 116.67 110.76 3gdn s ASP 439 Ca -0.13 0.38 0.15 0.00 -0.52 0.00 0.00 52.55 52.43 3gdn s ASP 439 Cb 0.10 -2.55 0.83 0.00 -1.46 0.00 0.00 42.92 39.84 3gdn s ASP 439 CO 0.77 -1.44 1.37 0.00 0.52 0.00 0.00 175.17 176.38 3gdn n GLN 440 N 8.23 0.34 0.00 4.34 1.13 -1.26 -2.07 117.38 128.09 3gdn n GLN 440 Ca 0.12 0.08 0.07 0.00 -1.94 0.00 0.00 57.00 55.32 3gdn n GLN 440 Cb 0.49 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.38 3gdn n GLN 440 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3gdn n THR 441 N -1.15 0.00 -2.68 5.09 -2.24 -1.26 -4.86 114.28 107.19 3gdn n THR 441 Ca 0.09 -0.46 -0.43 0.00 -2.27 0.00 0.00 64.05 60.98 3gdn n THR 441 Cb 0.09 1.25 -0.01 0.00 -2.10 0.00 0.00 70.33 69.55 3gdn n THR 441 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gdn s ASP 442 N -1.27 6.77 0.21 3.42 -1.08 -0.88 -4.85 116.67 118.99 3gdn s ASP 442 Ca 0.14 -2.24 -0.09 0.00 -0.52 0.00 0.00 52.55 49.85 3gdn s ASP 442 Cb 0.11 -2.53 0.24 0.00 -1.46 0.00 0.00 42.92 39.29 3gdn s ASP 442 CO 0.21 -1.17 1.82 0.44 0.52 0.00 0.00 175.17 176.99 3gdn h ASP 443 N 8.22 0.60 -0.93 -0.34 5.19 -1.89 -1.86 116.42 125.41 3gdn h ASP 443 Ca 0.33 0.02 0.03 0.00 -0.62 0.00 0.00 57.03 56.79 3gdn h ASP 443 Cb 0.92 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 40.29 3gdn h ASP 443 CO 1.38 0.39 0.61 0.00 -3.12 0.00 0.00 179.24 178.50 3gdn h ALA 444 N 1.35 1.38 -0.45 3.45 0.00 -2.00 0.45 119.26 123.45 3gdn h ALA 444 Ca 0.30 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 3gdn h ALA 444 Cb 0.16 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3gdn h ALA 444 CO -0.17 0.54 -0.18 0.00 0.00 0.00 0.00 179.25 179.44 3gdn h ALA 445 N 1.44 0.84 -0.18 0.00 0.00 -1.80 -2.28 119.26 117.28 3gdn h ALA 445 Ca 0.36 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3gdn h ALA 445 Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3gdn h ALA 445 CO -0.10 0.64 -0.35 0.74 0.00 0.00 0.00 179.25 180.19 3gdn h PHE 446 N 0.77 0.45 -0.53 0.00 -1.00 -0.54 -1.07 116.94 115.02 3gdn h PHE 446 Ca 0.11 -0.11 -0.05 0.00 2.81 0.00 0.00 57.97 60.73 3gdn h PHE 446 Cb 0.71 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 40.14 3gdn h PHE 446 CO 0.04 0.69 0.14 0.93 -1.61 0.00 0.00 178.31 178.50 3gdn h GLU 447 N 0.33 0.83 -0.67 1.51 5.08 -0.69 0.79 114.58 121.77 3gdn h GLU 447 Ca 0.04 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 3gdn h GLU 447 Cb 0.77 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 3gdn h GLU 447 CO 0.06 0.78 0.21 1.15 -1.00 0.00 0.00 179.01 180.21 3gdn h THR 448 N 0.73 1.25 -0.09 1.13 2.02 -1.18 -1.20 112.91 115.58 3gdn h THR 448 Ca 0.17 -0.86 0.01 0.00 0.77 0.00 0.00 66.41 66.49 3gdn h THR 448 Cb 0.32 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3gdn h THR 448 CO -0.00 0.33 0.02 0.15 0.37 0.00 0.00 175.52 176.39 3gdn h PHE 449 N 0.97 0.03 -0.29 3.16 3.57 -0.78 -0.10 116.94 123.51 3gdn h PHE 449 Ca 0.22 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.77 3gdn h PHE 449 Cb 0.30 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 3gdn h PHE 449 CO 0.02 0.01 -0.02 0.00 -2.23 0.00 0.00 178.31 176.09 3gdn h ARG 451 N 0.06 0.61 0.00 0.00 3.08 -1.04 -3.07 114.38 114.03 3gdn h ARG 451 Ca 0.14 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3gdn h ARG 451 Cb 0.19 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3gdn h ARG 451 CO -0.25 0.82 -0.10 0.39 -1.07 0.00 0.00 179.97 179.76 3gdn n GLU 452 N -4.43 0.22 -0.05 0.04 1.02 -0.07 -3.87 120.64 113.50 3gdn n GLU 452 Ca -0.03 0.16 0.03 0.00 -0.02 0.00 0.00 57.16 57.30 3gdn n GLU 452 Cb 0.35 -1.74 0.06 0.00 -0.02 0.00 0.00 31.44 30.09 3gdn n GLU 452 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3gdn n SER 453 N -2.12 2.07 -4.75 1.62 3.41 -0.45 -5.06 113.62 108.35 3gdn n SER 453 Ca 0.05 -1.70 -0.38 0.00 -0.26 0.00 0.00 58.87 56.59 3gdn n SER 453 Cb 0.42 -0.07 0.04 0.00 -0.26 0.00 0.00 64.21 64.34 3gdn n SER 453 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gdn s VAL 454 N -0.79 2.09 0.31 -3.33 0.11 -1.16 -4.75 120.40 112.89 3gdn s VAL 454 Ca 0.10 0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.25 3gdn s VAL 454 Cb 0.05 -3.03 -0.03 0.00 -1.53 0.00 0.00 36.38 31.85 3gdn s VAL 454 CO 0.08 -0.00 0.30 0.00 -3.33 0.00 0.00 175.10 172.14 3gdn s ALA 455 N -1.32 1.53 0.07 1.54 0.00 -0.10 -4.67 121.76 118.81 3gdn s ALA 455 Ca 0.73 -1.90 -0.11 0.00 0.00 0.00 0.00 51.96 50.68 3gdn s ALA 455 Cb -0.40 1.40 -0.06 0.00 0.00 0.00 0.00 23.12 24.06 3gdn s ALA 455 CO 0.47 -0.68 0.41 0.45 0.00 0.00 0.00 175.76 176.41 3gdn s SER 456 N -3.31 6.67 0.00 0.00 0.15 -1.26 -0.36 113.70 115.59 3gdn s SER 456 Ca 0.38 0.83 0.27 0.00 0.70 0.00 0.00 55.95 58.13 3gdn s SER 456 Cb 0.02 -2.19 1.06 0.00 -1.71 0.00 0.00 66.02 63.20 3gdn s SER 456 CO 0.24 0.18 1.74 0.00 1.20 0.00 0.00 173.24 176.61 3gdn n TYR 457 N 1.00 0.03 -1.01 3.44 9.36 -1.05 -4.61 117.16 124.33 3gdn n TYR 457 Ca -0.08 -0.02 -0.00 0.00 3.32 0.00 0.00 57.90 61.12 3gdn n TYR 457 Cb 0.52 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.23 3gdn n TYR 457 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 3gdn n TRP 458 N 0.11 0.00 -1.28 2.98 8.01 -1.26 -4.88 117.44 121.13 3gdn n TRP 458 Ca 0.19 0.00 -0.21 0.00 -1.31 0.00 0.00 57.50 56.16 3gdn n TRP 458 Cb 0.33 -1.02 0.18 0.00 -2.01 0.00 0.00 31.31 28.79 3gdn n TRP 458 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.69 177.40 3gdn n HIS 459 N -2.51 2.78 -1.62 -5.99 8.25 -1.26 -5.00 115.22 109.87 3gdn n HIS 459 Ca -0.00 -1.87 -0.37 0.00 -0.26 0.00 0.00 57.72 55.21 3gdn n HIS 459 Cb 0.25 -0.90 0.06 0.00 1.12 0.00 0.00 29.99 30.52 3gdn n HIS 459 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 3gdn n TYR 460 N -1.13 0.84 -3.83 4.41 0.18 -1.26 -4.61 117.16 111.76 3gdn n TYR 460 Ca 0.56 0.43 -0.08 0.00 1.88 0.00 0.00 57.90 60.69 3gdn n TYR 460 Cb 1.53 -2.14 0.01 0.00 -0.38 0.00 0.00 39.34 38.36 3gdn n TYR 460 CO 0.00 0.00 0.00 -3.38 -2.08 0.00 0.00 176.86 171.40 3gdn s HIS 461 N -1.52 0.02 0.00 -3.48 -3.43 0.29 -4.89 115.29 102.28 3gdn s HIS 461 Ca 0.77 -0.59 0.00 0.00 -0.80 0.00 0.00 55.06 54.44 3gdn s HIS 461 Cb -0.41 0.78 0.00 0.00 -1.43 0.00 0.00 32.58 31.53 3gdn s HIS 461 CO 0.46 -1.39 0.00 0.41 -2.00 0.00 0.00 174.74 172.22 3gdn n GLY 462 N -0.52 -2.03 0.00 -1.38 0.00 -0.56 -0.65 105.19 100.05 3gdn n GLY 462 Ca -0.07 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3gdn n GLY 462 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gdn n GLY 463 N -0.04 2.44 2.64 -0.02 0.00 -0.90 -4.25 105.19 105.06 3gdn n GLY 463 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3gdn n GLY 463 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gdn s LEU 465 N -1.91 4.01 0.17 0.00 1.43 -1.19 -3.83 118.68 117.36 3gdn s LEU 465 Ca 0.27 2.33 -0.31 0.00 -1.03 0.00 0.00 54.13 55.40 3gdn s LEU 465 Cb 0.28 -4.23 -0.09 0.00 0.03 0.00 0.00 46.19 42.18 3gdn s LEU 465 CO -0.10 -0.94 1.37 -0.69 0.23 0.00 0.00 176.35 176.21 3gdn s VAL 466 N -1.53 3.16 0.00 -1.59 1.01 -0.16 -0.57 120.40 120.72 3gdn s VAL 466 Ca 0.64 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.52 3gdn s VAL 466 Cb -0.29 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.51 3gdn s VAL 466 CO 0.36 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3gdn n GLY 467 N 2.85 1.05 0.40 4.51 0.00 0.86 -4.79 105.19 110.07 3gdn n GLY 467 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3gdn n GLY 467 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gdn n LYS 468 N -2.00 0.00 0.00 1.61 4.76 -0.68 -4.92 118.16 116.94 3gdn n LYS 468 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3gdn n LYS 468 Cb 0.00 -0.79 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 3gdn n LYS 468 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3gdn n VAL 469 N -2.67 0.00 -4.14 -0.18 0.31 0.26 -4.57 118.33 107.34 3gdn n VAL 469 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 3gdn n VAL 469 Cb 0.48 -0.58 -0.05 0.00 -0.91 0.00 0.00 33.84 32.78 3gdn n VAL 469 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3gdn s LEU 470 N -3.83 3.54 0.00 7.52 1.43 -0.80 -1.90 118.68 124.65 3gdn s LEU 470 Ca 0.00 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 3gdn s LEU 470 Cb 0.00 -2.07 0.05 0.00 0.03 0.00 0.00 46.19 44.19 3gdn s LEU 470 CO 0.00 -0.08 0.37 -0.90 0.23 0.00 0.00 176.35 175.97 3gdn n ASP 471 N -1.10 0.86 0.00 2.29 3.85 0.07 -0.10 116.55 122.43 3gdn n ASP 471 Ca -0.06 -1.64 0.03 0.00 -0.71 0.00 0.00 54.79 52.41 3gdn n ASP 471 Cb 0.59 -0.21 0.15 0.00 -1.35 0.00 0.00 41.12 40.30 3gdn n ASP 471 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3gdn n GLY 472 N 1.83 -0.66 0.69 6.12 0.00 -1.26 -1.38 105.19 110.53 3gdn n GLY 472 Ca 0.07 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.14 3gdn n GLY 472 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gdn n ASP 473 N -1.43 3.37 -0.72 1.61 8.00 -1.26 -4.67 116.55 121.44 3gdn n ASP 473 Ca 0.02 -2.69 -0.09 0.00 0.71 0.00 0.00 54.79 52.74 3gdn n ASP 473 Cb 0.07 -0.42 -0.04 0.00 -0.02 0.00 0.00 41.12 40.71 3gdn n ASP 473 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3gdn n PHE 474 N -0.32 0.00 -2.93 1.24 3.01 -0.48 -4.97 117.46 113.01 3gdn n PHE 474 Ca 0.17 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.25 3gdn n PHE 474 Cb 0.70 -2.03 -0.06 0.00 -0.01 0.00 0.00 39.48 38.09 3gdn n PHE 474 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3gdn s ARG 475 N -2.59 4.54 -0.21 -1.08 0.52 -1.26 -1.74 118.95 117.13 3gdn s ARG 475 Ca 0.00 1.17 -0.29 0.00 -0.52 0.00 0.00 55.73 56.09 3gdn s ARG 475 Cb 0.00 -3.06 -0.01 0.00 0.52 0.00 0.00 34.95 32.40 3gdn s ARG 475 CO 0.00 0.45 1.27 0.08 0.02 0.00 0.00 175.30 177.13 3gdn s VAL 476 N -1.35 4.24 0.48 3.52 1.01 -0.59 -0.75 120.40 126.96 3gdn s VAL 476 Ca 0.42 1.47 -0.24 0.00 0.00 0.00 0.00 61.98 63.63 3gdn s VAL 476 Cb -0.21 -4.05 -0.08 0.00 0.00 0.00 0.00 36.38 32.05 3gdn s VAL 476 CO 0.25 -0.24 1.29 0.35 0.00 0.00 0.00 175.10 176.75 3gdn n THR 477 N 5.65 3.11 -0.53 3.92 -2.24 -0.80 -2.51 114.28 120.88 3gdn n THR 477 Ca 0.14 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3gdn n THR 477 Cb 0.45 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.09 3gdn n THR 477 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gdn n GLY 478 N 0.81 1.92 2.98 3.38 0.00 -1.26 -4.99 105.19 108.02 3gdn n GLY 478 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 3gdn n GLY 478 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gdn s ILE 479 N -3.52 0.69 0.35 -0.61 1.01 -1.04 -4.40 121.20 113.67 3gdn s ILE 479 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.32 3gdn s ILE 479 Cb 0.00 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 3gdn s ILE 479 CO 0.00 0.22 0.60 0.20 0.00 0.00 0.00 174.94 175.97 3gdn s ASN 480 N 0.28 6.36 -1.60 3.58 0.01 0.07 -4.34 114.94 119.30 3gdn s ASN 480 Ca -0.04 0.68 -0.01 0.00 -0.71 0.00 0.00 52.86 52.78 3gdn s ASN 480 Cb -0.09 -2.13 0.00 0.00 0.41 0.00 0.00 41.25 39.44 3gdn s ASN 480 CO 0.00 -0.31 0.06 0.00 -1.51 0.00 0.00 177.10 175.35 3gdn n ALA 481 N -1.50 -0.70 -3.69 0.60 0.00 -1.26 -0.96 120.51 113.01 3gdn n ALA 481 Ca -0.02 0.16 -0.19 0.00 0.00 0.00 0.00 53.44 53.39 3gdn n ALA 481 Cb 0.55 -2.21 -0.17 0.00 0.00 0.00 0.00 19.45 17.62 3gdn n ALA 481 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3gdn s LEU 482 N -6.02 0.27 0.26 0.00 2.96 -1.26 -0.55 118.68 114.34 3gdn s LEU 482 Ca 0.03 0.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 3gdn s LEU 482 Cb -0.02 -0.08 -0.05 0.00 0.50 0.00 0.00 46.19 46.54 3gdn s LEU 482 CO 0.04 -0.23 0.07 -0.13 -1.32 0.00 0.00 176.35 174.78 3gdn s ARG 483 N 2.00 1.40 -0.07 1.98 0.52 -0.62 -1.54 118.95 122.61 3gdn s ARG 483 Ca 0.02 -1.75 0.00 0.00 -0.52 0.00 0.00 55.73 53.49 3gdn s ARG 483 Cb -0.12 -0.38 0.02 0.00 0.52 0.00 0.00 34.95 34.99 3gdn s ARG 483 CO -0.03 -0.24 -0.05 0.08 0.02 0.00 0.00 175.30 175.07 3gdn s VAL 484 N -3.65 0.69 -0.26 3.52 1.01 -0.71 -0.50 120.40 120.51 3gdn s VAL 484 Ca 0.35 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 3gdn s VAL 484 Cb 0.08 -0.73 0.09 0.00 0.00 0.00 0.00 36.38 35.82 3gdn s VAL 484 CO 0.12 0.28 0.13 -0.69 0.00 0.00 0.00 175.10 174.95 3gdn s VAL 485 N 1.29 -0.10 0.00 2.92 1.01 -0.50 -4.84 120.40 120.18 3gdn s VAL 485 Ca -0.04 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3gdn s VAL 485 Cb -0.14 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.36 3gdn s VAL 485 CO -0.02 -0.60 0.00 -0.90 0.00 0.00 0.00 175.10 173.58 3gdn n ASP 486 N 5.26 0.00 0.00 3.32 5.68 -1.26 -4.30 116.55 125.25 3gdn n ASP 486 Ca -0.06 -0.33 0.10 0.00 -0.50 0.00 0.00 54.79 54.00 3gdn n ASP 486 Cb 0.44 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 41.01 3gdn n ASP 486 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gdn n GLY 487 N 0.00 -0.64 0.06 6.12 0.00 -1.26 -3.47 105.19 106.00 3gdn n GLY 487 Ca 0.00 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.03 3gdn n GLY 487 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gdn n SER 488 N -0.98 0.33 0.00 1.61 3.41 -1.26 -1.49 113.62 115.24 3gdn n SER 488 Ca 0.15 -0.25 0.13 0.00 -0.26 0.00 0.00 58.87 58.63 3gdn n SER 488 Cb 0.07 -0.13 0.40 0.00 -0.26 0.00 0.00 64.21 64.28 3gdn n SER 488 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3gdn n THR 489 N -1.19 0.02 -4.24 6.66 -2.24 -1.23 -1.19 114.28 110.88 3gdn n THR 489 Ca 0.11 -0.01 -0.18 0.00 -2.27 0.00 0.00 64.05 61.70 3gdn n THR 489 Cb 0.30 -0.07 -0.13 0.00 -2.10 0.00 0.00 70.33 68.33 3gdn n THR 489 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3gdn s PHE 490 N -3.01 1.15 0.26 4.78 0.40 -1.26 -0.99 117.98 119.31 3gdn s PHE 490 Ca 0.12 -0.41 0.05 0.00 -0.60 0.00 0.00 56.93 56.09 3gdn s PHE 490 Cb 0.18 -0.67 0.33 0.00 0.51 0.00 0.00 43.02 43.37 3gdn s PHE 490 CO 0.63 0.03 1.61 -1.00 0.70 0.00 0.00 175.22 177.20 3gdn h PRO 491 N 4.62 0.26 -6.43 0.24 0.13 -1.90 -3.23 132.00 125.68 3gdn h PRO 491 Ca -0.39 -0.15 -0.62 0.00 -0.87 0.00 0.00 66.00 63.97 3gdn h PRO 491 Cb 1.19 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 3gdn h PRO 491 CO 0.42 0.72 -0.73 0.71 -0.23 0.00 0.00 178.00 178.88 3gdn s TYR 492 N -3.93 2.56 0.21 1.56 4.12 -1.26 -4.56 117.35 116.04 3gdn s TYR 492 Ca -0.04 -0.25 -0.30 0.00 0.02 0.00 0.00 57.07 56.49 3gdn s TYR 492 Cb 0.12 -1.23 -0.09 0.00 -1.52 0.00 0.00 41.96 39.25 3gdn s TYR 492 CO 0.79 0.54 1.24 -0.08 0.02 0.00 0.00 175.55 178.06 3gdn s THR 493 N -1.84 3.35 -0.16 -0.71 -1.32 -0.21 -4.94 115.64 109.83 3gdn s THR 493 Ca 0.25 1.16 0.29 0.00 -1.21 0.00 0.00 61.69 62.19 3gdn s THR 493 Cb -0.08 -3.74 0.34 0.00 -1.51 0.00 0.00 72.50 67.50 3gdn s THR 493 CO 0.15 0.20 1.87 1.55 -2.21 0.00 0.00 174.62 176.17 3gdn h PRO 494 N 5.00 0.00 0.00 7.08 0.13 -1.93 -3.45 132.00 138.83 3gdn h PRO 494 Ca -0.45 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.75 3gdn h PRO 494 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3gdn h PRO 494 CO 0.74 0.00 0.25 0.00 -0.23 0.00 0.00 178.00 178.76 3gdn n ALA 495 N -1.97 -1.14 0.16 -0.56 0.00 -1.26 -0.88 120.51 114.86 3gdn n ALA 495 Ca 0.01 -0.42 0.04 0.00 0.00 0.00 0.00 53.44 53.07 3gdn n ALA 495 Cb 0.29 0.23 0.45 0.00 0.00 0.00 0.00 19.45 20.42 3gdn n ALA 495 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gdn h SER 496 N 0.82 0.14 -3.24 0.00 4.64 -1.92 -3.38 113.55 110.62 3gdn h SER 496 Ca -0.11 -0.02 -0.46 0.00 -0.47 0.00 0.00 61.79 60.73 3gdn h SER 496 Cb 0.50 -0.04 -0.39 0.00 -0.31 0.00 0.00 62.40 62.16 3gdn h SER 496 CO 0.15 0.27 -0.76 -1.00 -0.87 0.00 0.00 176.83 174.62 3gdn s HIS 497 N -4.78 0.66 -0.89 4.77 3.76 -1.26 -5.07 115.29 112.48 3gdn s HIS 497 Ca -0.05 -0.34 0.28 0.00 -0.15 0.00 0.00 55.06 54.80 3gdn s HIS 497 Cb 0.16 -0.82 1.06 0.00 1.11 0.00 0.00 32.58 34.08 3gdn s HIS 497 CO 0.71 -0.41 1.86 -0.35 -0.85 0.00 0.00 174.74 175.70 3gdn n PRO 498 N 5.15 0.11 -0.26 8.40 -0.04 -1.26 -4.29 135.00 142.81 3gdn n PRO 498 Ca -0.07 0.09 0.04 0.00 -0.04 0.00 0.00 63.50 63.53 3gdn n PRO 498 Cb 0.49 -1.63 0.28 0.00 -0.04 0.00 0.00 33.50 32.60 3gdn n PRO 498 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 3gdn h GLN 499 N 0.00 0.91 -0.47 0.54 3.07 -1.88 -1.84 115.11 115.44 3gdn h GLN 499 Ca 0.00 -0.05 0.06 0.00 0.09 0.00 0.00 58.65 58.74 3gdn h GLN 499 Cb 0.60 -0.21 -0.05 0.00 0.08 0.00 0.00 27.48 27.90 3gdn h GLN 499 CO 0.00 0.60 0.18 0.78 0.09 0.00 0.00 178.83 180.49 3gdn h GLY 500 N 0.94 0.62 0.97 0.06 0.00 -1.75 0.14 103.07 104.05 3gdn h GLY 500 Ca 0.35 -0.11 -0.08 0.00 0.00 0.00 0.00 47.33 47.50 3gdn h GLY 500 CO -0.12 0.04 -0.05 -2.75 0.00 0.00 0.00 176.54 173.66 3gdn h PHE 501 N 0.37 0.84 -0.20 5.60 3.57 -1.53 -1.92 116.94 123.66 3gdn h PHE 501 Ca 0.22 -0.16 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 3gdn h PHE 501 Cb 0.20 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 3gdn h PHE 501 CO -0.14 0.85 -0.28 1.88 -2.23 0.00 0.00 178.31 178.39 3gdn h TYR 502 N 0.58 0.43 -0.06 0.41 0.99 -0.95 0.18 116.97 118.55 3gdn h TYR 502 Ca 0.11 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 3gdn h TYR 502 Cb 0.55 -0.11 -0.00 0.00 1.00 0.00 0.00 36.73 38.17 3gdn h TYR 502 CO 0.04 0.63 0.01 -0.07 -0.00 0.00 0.00 178.16 178.77 3gdn h LEU 503 N 0.34 0.09 -0.56 3.88 3.38 -0.64 -2.76 115.31 119.05 3gdn h LEU 503 Ca 0.05 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.75 3gdn h LEU 503 Cb 0.66 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3gdn h LEU 503 CO 0.05 0.35 0.36 -0.03 0.09 0.00 0.00 178.44 179.26 3gdn h MET 504 N -0.17 0.71 -0.80 1.13 4.05 -1.10 -2.82 114.93 115.93 3gdn h MET 504 Ca 0.02 -0.04 0.13 0.00 -0.28 0.00 0.00 59.70 59.52 3gdn h MET 504 Cb 0.30 -0.16 -0.09 0.00 -0.80 0.00 0.00 31.60 30.85 3gdn h MET 504 CO 0.00 0.47 0.40 1.25 0.23 0.00 0.00 176.91 179.26 3gdn h LEU 505 N 0.73 0.48 0.02 3.39 5.85 -0.53 0.39 115.31 125.64 3gdn h LEU 505 Ca 0.21 0.08 0.03 0.00 0.84 0.00 0.00 57.88 59.04 3gdn h LEU 505 Cb -0.06 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3gdn h LEU 505 CO -0.06 0.22 -0.24 1.23 -0.34 0.00 0.00 178.44 179.26 3gdn h GLY 506 N 0.60 -0.36 1.22 3.75 0.00 -1.22 -1.60 103.07 105.45 3gdn h GLY 506 Ca 0.43 0.28 -0.17 0.00 0.00 0.00 0.00 47.33 47.87 3gdn h GLY 506 CO -0.34 -0.20 -0.45 -0.09 0.00 0.00 0.00 176.54 175.45 3gdn h ARG 507 N -0.38 0.84 -0.11 4.80 2.43 -1.52 -2.65 114.38 117.78 3gdn h ARG 507 Ca 0.06 -0.48 0.04 0.00 -0.81 0.00 0.00 59.98 58.79 3gdn h ARG 507 Cb 0.45 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.97 3gdn h ARG 507 CO -0.20 1.12 -0.39 -0.92 -1.51 0.00 0.00 179.97 178.07 3gdn h TYR 508 N 0.67 -1.09 -0.28 2.20 3.20 -0.60 0.12 116.97 121.18 3gdn h TYR 508 Ca 0.04 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 3gdn h TYR 508 Cb 1.04 0.50 -0.02 0.00 1.54 0.00 0.00 36.73 39.79 3gdn h TYR 508 CO 0.06 -0.45 0.00 0.28 -1.64 0.00 0.00 178.16 176.41 3gdn h VAL 509 N -0.47 1.17 -0.87 1.81 2.07 -1.35 -1.71 116.25 116.89 3gdn h VAL 509 Ca 0.08 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3gdn h VAL 509 Cb 0.60 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3gdn h VAL 509 CO -0.37 0.23 0.55 1.23 0.02 0.00 0.00 177.57 179.23 3gdn h GLY 510 N 0.73 1.25 1.09 2.17 0.00 -0.74 -0.48 103.07 107.09 3gdn h GLY 510 Ca 0.09 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 3gdn h GLY 510 CO 0.01 0.48 -0.20 -2.22 0.00 0.00 0.00 176.54 174.61 3gdn h ILE 511 N 1.19 1.27 -0.60 2.60 1.08 -0.13 -1.71 117.51 121.21 3gdn h ILE 511 Ca 0.32 -1.36 -0.01 0.00 -0.39 0.00 0.00 64.86 63.42 3gdn h ILE 511 Cb -0.09 1.14 -0.03 0.00 -3.07 0.00 0.00 36.82 34.77 3gdn h ILE 511 CO -0.06 0.47 0.34 0.11 -0.69 0.00 0.00 178.15 178.32 3gdn h LYS 512 N 0.82 0.82 -0.24 2.37 1.79 -0.74 0.38 116.57 121.78 3gdn h LYS 512 Ca 0.11 -0.08 -0.11 0.00 -2.18 0.00 0.00 60.65 58.40 3gdn h LYS 512 Cb 0.77 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.25 3gdn h LYS 512 CO 0.06 0.59 -0.26 0.82 -1.08 0.00 0.00 179.45 179.58 3gdn h ILE 513 N 0.83 1.32 -0.76 1.86 2.04 -0.87 -1.40 117.51 120.53 3gdn h ILE 513 Ca 0.22 -1.44 -0.04 0.00 1.00 0.00 0.00 64.86 64.59 3gdn h ILE 513 Cb -0.00 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 3gdn h ILE 513 CO -0.04 0.45 0.30 -0.07 0.00 0.00 0.00 178.15 178.80 3gdn h LEU 514 N 0.30 1.04 -0.79 1.44 3.38 -0.77 0.72 115.31 120.62 3gdn h LEU 514 Ca 0.03 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 3gdn h LEU 514 Cb 0.83 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3gdn h LEU 514 CO 0.06 0.92 0.13 1.56 0.09 0.00 0.00 178.44 181.21 3gdn h GLN 515 N 1.10 1.05 -0.43 1.13 4.20 -0.87 0.14 115.11 121.43 3gdn h GLN 515 Ca 0.25 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3gdn h GLN 515 Cb 0.21 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3gdn h GLN 515 CO -0.02 0.94 0.13 1.49 -0.67 0.00 0.00 178.83 180.70 3gdn h GLU 516 N 0.99 0.68 -0.37 1.46 4.81 -0.51 -1.71 114.58 119.93 3gdn h GLU 516 Ca 0.20 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 3gdn h GLU 516 Cb 0.38 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 3gdn h GLU 516 CO 0.01 0.66 -0.04 0.00 -0.73 0.00 0.00 179.01 178.91 3gdn h ARG 517 N 0.56 0.61 -0.50 1.92 2.47 -0.50 -1.83 114.38 117.10 3gdn h ARG 517 Ca 0.14 -0.16 -0.08 0.00 -1.26 0.00 0.00 59.98 58.62 3gdn h ARG 517 Cb 0.27 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 3gdn h ARG 517 CO -0.00 0.66 -0.02 0.77 0.56 0.00 0.00 179.97 181.94 3gdn h SER 518 N 0.57 0.88 1.05 7.04 0.02 -0.68 -1.87 113.55 120.56 3gdn h SER 518 Ca 0.11 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3gdn h SER 518 Cb 0.43 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3gdn h SER 518 CO 0.02 0.98 0.00 0.00 -1.14 0.00 0.00 176.83 176.69 3gdn h ALA 519 N 0.93 1.00 0.00 3.77 0.00 -1.03 -2.86 119.26 121.06 3gdn h ALA 519 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3gdn h ALA 519 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3gdn h ALA 519 CO 0.03 0.00 -0.97 -1.13 0.00 0.00 0.00 179.25 177.18 3gdn n SER 520 N -2.61 0.63 0.00 0.00 3.41 -0.71 -5.10 113.62 109.24 3gdn n SER 520 Ca 0.02 -0.28 0.04 0.00 -0.26 0.00 0.00 58.87 58.39 3gdn n SER 520 Cb 0.31 0.76 0.23 0.00 -0.26 0.00 0.00 64.21 65.25 3gdn n SER 520 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35