#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 3.83 -0.10 -1.18 0.00 0.29 -4.56 121.76 120.05 3gdn s ALA 2 Ca 0.00 -1.38 0.01 0.00 0.00 0.00 0.00 51.96 50.59 3gdn s ALA 2 Cb 0.00 -2.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.01 3gdn s ALA 2 CO 0.00 -0.90 -0.12 0.99 0.00 0.00 0.00 175.76 175.73 3gdn s THR 3 N -2.85 3.18 0.01 0.00 2.01 -1.26 -4.71 115.64 112.02 3gdn s THR 3 Ca 0.59 -0.64 -0.38 0.00 0.31 0.00 0.00 61.69 61.56 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 0.40 0.55 1.00 0.41 -0.69 0.00 0.00 174.62 176.29 3gdn n THR 4 N 2.97 0.15 -3.78 -0.82 -1.04 -1.26 -4.95 114.28 105.54 3gdn n THR 4 Ca -0.18 -0.04 -0.05 0.00 -2.04 0.00 0.00 64.05 61.75 3gdn n THR 4 Cb 0.53 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.02 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 -0.07 -0.21 0.75 8.00 1.04 -1.26 -5.07 113.70 116.87 3gdn s SER 5 Ca 0.87 -0.46 -0.12 0.00 0.48 0.00 0.00 55.95 56.72 3gdn s SER 5 Cb -1.21 0.57 0.05 0.00 0.10 0.00 0.00 66.02 65.52 3gdn s SER 5 CO 0.55 -1.04 1.11 -1.81 0.98 0.00 0.00 173.24 173.03 3gdn s ASP 6 N -2.92 4.53 0.10 7.02 1.01 -1.26 -4.91 116.67 120.23 3gdn s ASP 6 Ca 0.12 1.95 -0.31 0.00 0.71 0.00 0.00 52.55 55.02 3gdn s ASP 6 Cb -0.03 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.27 3gdn s ASP 6 CO 0.03 -2.02 1.73 -2.28 0.21 0.00 0.00 175.17 172.84 3gdn s HIS 7 N -2.63 2.35 -0.60 4.23 2.46 -1.26 -4.90 115.29 114.94 3gdn s HIS 7 Ca 0.64 0.19 -0.27 0.00 0.47 0.00 0.00 55.06 56.09 3gdn s HIS 7 Cb -0.20 -4.06 0.03 0.00 -0.13 0.00 0.00 32.58 28.22 3gdn s HIS 7 CO 0.51 -4.29 1.17 0.34 -2.47 0.00 0.00 174.74 170.00 3gdn s ASP 8 N 2.43 6.39 -0.45 9.88 -1.08 -1.26 -4.90 116.67 127.68 3gdn s ASP 8 Ca 0.77 -0.04 0.04 0.00 -0.52 0.00 0.00 52.55 52.79 3gdn s ASP 8 Cb -0.43 -2.54 0.59 0.00 -1.46 0.00 0.00 42.92 39.08 3gdn s ASP 8 CO 0.34 -1.51 1.82 0.49 0.52 0.00 0.00 175.17 176.83 3gdn n PHE 9 N 8.46 2.68 0.20 -5.34 3.01 -1.26 -4.61 117.46 120.60 3gdn n PHE 9 Ca 0.07 -2.04 0.05 0.00 1.01 0.00 0.00 57.45 56.54 3gdn n PHE 9 Cb 0.49 -0.93 0.47 0.00 -0.01 0.00 0.00 39.48 39.50 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 1.23 0.05 0.17 4.37 0.02 -1.98 -2.39 113.55 115.01 3gdn h SER 10 Ca 0.54 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 3gdn h SER 10 Cb 2.19 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.72 3gdn h SER 10 CO 1.04 0.23 0.00 0.00 -1.14 0.00 0.00 176.83 176.96 3gdn n TYR 11 N -4.31 0.51 0.30 3.45 0.18 -1.26 -2.35 117.16 113.69 3gdn n TYR 11 Ca -0.02 0.25 0.20 0.00 1.88 0.00 0.00 57.90 60.21 3gdn n TYR 11 Cb 0.25 -0.90 1.06 0.00 -0.38 0.00 0.00 39.34 39.38 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 -2.13 -3.48 3.38 -1.81 -0.58 115.31 110.70 3gdn h LEU 12 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3gdn h LEU 12 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3gdn h LEU 12 CO 0.00 0.00 -0.07 0.77 0.09 0.00 0.00 178.44 179.23 3gdn h SER 13 N 0.00 0.00 0.00 -0.43 4.64 -1.72 -2.69 113.55 113.35 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 0.05 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 3gdn h SER 13 CO 0.00 0.07 -0.42 2.22 -0.87 0.00 0.00 176.83 177.83 3gdn n PHE 14 N -3.52 0.00 -4.12 4.77 1.16 -0.23 -5.01 117.46 110.51 3gdn n PHE 14 Ca -0.02 -1.20 -0.35 0.00 -1.87 0.00 0.00 57.45 54.01 3gdn n PHE 14 Cb 0.19 -0.20 -0.09 0.00 -1.61 0.00 0.00 39.48 37.77 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 -2.68 3.43 0.07 1.98 0.00 -1.02 -1.01 121.76 122.53 3gdn s ALA 15 Ca 0.34 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.58 3gdn s ALA 15 Cb 0.33 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 3gdn s ALA 15 CO -0.05 0.37 -0.08 0.71 0.00 0.00 0.00 175.76 176.72 3gdn s TYR 16 N -0.23 0.83 0.24 0.00 1.51 0.15 -4.95 117.35 114.90 3gdn s TYR 16 Ca 0.07 -0.69 -0.23 0.00 -1.01 0.00 0.00 57.07 55.21 3gdn s TYR 16 Cb -0.12 -0.48 -0.09 0.00 -0.11 0.00 0.00 41.96 41.16 3gdn s TYR 16 CO 0.02 -0.09 0.82 0.34 -1.11 0.00 0.00 175.55 175.52 3gdn s ASP 17 N -2.30 7.25 0.52 2.29 -1.08 -1.26 -0.67 116.67 121.42 3gdn s ASP 17 Ca 0.01 1.63 0.31 0.00 -0.52 0.00 0.00 52.55 53.98 3gdn s ASP 17 Cb -0.03 -2.50 1.45 0.00 -1.46 0.00 0.00 42.92 40.38 3gdn s ASP 17 CO -0.02 0.04 1.87 0.00 0.52 0.00 0.00 175.17 177.59 3gdn h ALA 18 N 3.55 2.81 0.00 3.66 0.00 -1.39 0.25 119.26 128.15 3gdn h ALA 18 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3gdn h ALA 18 Cb 1.20 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3gdn h ALA 18 CO 0.65 -1.08 0.00 1.79 0.00 0.00 0.00 179.25 180.61 3gdn h THR 19 N 0.04 0.00 -0.00 0.00 1.35 -1.88 -2.64 112.91 109.78 3gdn h THR 19 Ca 0.45 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 3gdn h THR 19 Cb 1.72 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 3gdn h THR 19 CO -0.03 0.00 -0.82 0.47 -0.25 0.00 0.00 175.52 174.89 3gdn n ASP 20 N -2.97 1.24 -4.85 5.36 10.43 0.88 -4.95 116.55 121.68 3gdn n ASP 20 Ca -0.00 -1.09 -0.32 0.00 2.57 0.00 0.00 54.79 55.95 3gdn n ASP 20 Cb 0.23 0.80 -0.01 0.00 1.84 0.00 0.00 41.12 43.98 3gdn n ASP 20 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3gdn s LEU 21 N -2.86 3.41 0.68 0.64 1.43 -1.00 -4.98 118.68 116.00 3gdn s LEU 21 Ca 0.11 1.52 -0.16 0.00 -1.03 0.00 0.00 54.13 54.57 3gdn s LEU 21 Cb 0.17 -4.49 0.01 0.00 0.03 0.00 0.00 46.19 41.90 3gdn s LEU 21 CO 0.78 -0.80 1.22 -1.83 0.23 0.00 0.00 176.35 175.94 3gdn s GLU 22 N -4.63 2.47 0.32 1.70 1.03 -1.26 -4.91 118.70 113.41 3gdn s GLU 22 Ca 0.57 1.80 0.09 0.00 0.03 0.00 0.00 54.97 57.47 3gdn s GLU 22 Cb -0.11 -1.87 0.53 0.00 -0.80 0.00 0.00 34.13 31.88 3gdn s GLU 22 CO 0.43 -1.59 1.73 -0.07 -1.33 0.00 0.00 175.26 174.43 3gdn h LEU 23 N 0.18 0.13 -7.14 1.83 3.38 -1.93 -3.41 115.31 108.33 3gdn h LEU 23 Ca -0.49 -0.05 -0.45 0.00 0.09 0.00 0.00 57.88 56.98 3gdn h LEU 23 Cb 1.30 -0.03 -0.40 0.00 0.09 0.00 0.00 40.66 41.61 3gdn h LEU 23 CO 0.52 0.54 -0.75 -0.70 0.09 0.00 0.00 178.44 178.14 3gdn s GLU 24 N -4.08 0.13 0.30 1.13 2.12 -1.26 -0.43 118.70 116.61 3gdn s GLU 24 Ca -0.03 -0.03 0.11 0.00 0.36 0.00 0.00 54.97 55.38 3gdn s GLU 24 Cb 0.14 -1.59 -0.05 0.00 0.26 0.00 0.00 34.13 32.88 3gdn s GLU 24 CO 0.75 -0.59 -0.15 0.20 -0.54 0.00 0.00 175.26 174.94 3gdn s GLY 25 N 2.10 1.98 -0.07 -1.50 0.00 -0.39 -5.01 107.32 104.44 3gdn s GLY 25 Ca 0.02 -1.94 0.02 0.00 0.00 0.00 0.00 44.72 42.82 3gdn s GLY 25 CO -0.08 -1.98 -0.12 -0.45 0.00 0.00 0.00 173.10 170.48 3gdn s SER 26 N -3.56 1.84 0.28 1.64 0.15 -1.26 -0.76 113.70 112.04 3gdn s SER 26 Ca 0.31 -0.30 0.04 0.00 0.70 0.00 0.00 55.95 56.69 3gdn s SER 26 Cb -0.02 -0.84 -0.03 0.00 -1.71 0.00 0.00 66.02 63.41 3gdn s SER 26 CO 0.16 0.02 0.24 -0.31 1.20 0.00 0.00 173.24 174.54 3gdn s TYR 27 N 0.77 1.50 -0.07 3.44 1.51 0.40 -4.96 117.35 119.95 3gdn s TYR 27 Ca -0.12 -1.53 -0.12 0.00 -1.01 0.00 0.00 57.07 54.28 3gdn s TYR 27 Cb -0.15 -0.62 -0.29 0.00 -0.11 0.00 0.00 41.96 40.78 3gdn s TYR 27 CO 0.02 -0.80 0.61 -0.44 -1.11 0.00 0.00 175.55 173.83 3gdn h ASP 28 N 2.31 0.54 -3.96 2.29 3.32 -1.27 0.15 116.42 119.80 3gdn h ASP 28 Ca -0.29 -0.92 -0.33 0.00 0.02 0.00 0.00 57.03 55.51 3gdn h ASP 28 Cb 1.24 -0.18 -0.28 0.00 0.22 0.00 0.00 39.33 40.33 3gdn h ASP 28 CO 0.42 1.75 -0.76 -0.31 -1.72 0.00 0.00 179.24 178.63 3gdn s TYR 29 N -2.55 0.51 -0.16 4.55 1.51 -0.72 -1.87 117.35 118.62 3gdn s TYR 29 Ca -0.18 -0.11 0.01 0.00 -1.01 0.00 0.00 57.07 55.78 3gdn s TYR 29 Cb 0.05 -0.32 0.02 0.00 -0.11 0.00 0.00 41.96 41.60 3gdn s TYR 29 CO 0.82 -0.01 -0.17 0.08 -1.11 0.00 0.00 175.55 175.16 3gdn s VAL 30 N -0.19 1.78 -0.22 0.71 1.01 -0.96 -1.42 120.40 121.12 3gdn s VAL 30 Ca 0.02 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 3gdn s VAL 30 Cb -0.03 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 3gdn s VAL 30 CO -0.00 0.49 0.04 -0.63 0.00 0.00 0.00 175.10 175.01 3gdn s ILE 31 N 1.38 4.28 -0.40 2.22 -1.09 0.30 -1.18 121.20 126.71 3gdn s ILE 31 Ca 0.04 -0.20 -0.18 0.00 -2.23 0.00 0.00 60.65 58.09 3gdn s ILE 31 Cb -0.13 -2.96 0.01 0.00 -1.58 0.00 0.00 42.46 37.80 3gdn s ILE 31 CO -0.11 0.39 0.46 -0.69 -1.23 0.00 0.00 174.94 173.76 3gdn s VAL 32 N 1.17 5.05 0.00 2.92 1.01 -0.12 -0.87 120.40 129.56 3gdn s VAL 32 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3gdn s VAL 32 Cb -0.14 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.23 3gdn s VAL 32 CO 0.03 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.39 3gdn n GLY 33 N 5.02 0.77 2.51 4.51 0.00 0.05 0.06 105.19 118.10 3gdn n GLY 33 Ca -0.06 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 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 1.73 5.25 0.00 -0.02 0.00 -1.25 -4.25 105.19 106.65 3gdn n GLY 34 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 1.67 2.61 0.16 -0.02 0.00 -1.26 0.30 105.19 108.64 3gdn n GLY 35 Ca 0.60 -1.94 -0.07 0.00 0.00 0.00 0.00 46.02 44.61 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 0.64 0.12 2.61 2.02 -1.90 -1.22 112.91 115.18 3gdn h THR 36 Ca 0.00 0.00 -0.33 0.00 0.77 0.00 0.00 66.41 66.85 3gdn h THR 36 Cb 0.00 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3gdn h THR 36 CO 0.00 0.00 -1.75 0.28 0.37 0.00 0.00 175.52 174.42 3gdn h SER 37 N -0.04 0.40 -0.67 4.18 0.02 -1.86 -3.39 113.55 112.19 3gdn h SER 37 Ca 0.15 -0.69 0.07 0.00 -0.84 0.00 0.00 61.79 60.48 3gdn h SER 37 Cb 0.26 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.62 3gdn h SER 37 CO -0.33 1.59 0.36 1.23 -1.14 0.00 0.00 176.83 178.54 3gdn h GLY 38 N 1.52 0.99 0.79 -3.77 0.00 -1.70 -2.31 103.07 98.58 3gdn h GLY 38 Ca -0.33 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 3gdn h GLY 38 CO 0.13 0.12 -0.15 0.00 0.00 0.00 0.00 176.54 176.64 3gdn h PRO 40 N -0.64 0.32 0.11 0.00 0.13 -1.75 -0.47 132.00 129.69 3gdn h PRO 40 Ca -0.04 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 3gdn h PRO 40 Cb 0.46 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.53 3gdn h PRO 40 CO 0.07 0.32 -0.05 1.25 -0.23 0.00 0.00 178.00 179.36 3gdn h LEU 41 N 0.32 -0.12 -0.77 1.56 5.85 -1.32 -1.59 115.31 119.24 3gdn h LEU 41 Ca 0.08 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3gdn h LEU 41 Cb 0.17 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3gdn h LEU 41 CO 0.00 0.07 0.50 0.00 -0.34 0.00 0.00 178.44 178.67 3gdn h ALA 42 N 0.55 0.97 -0.43 1.25 0.00 -0.72 -1.54 119.26 119.35 3gdn h ALA 42 Ca -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3gdn h ALA 42 Cb 0.26 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3gdn h ALA 42 CO 0.02 0.40 0.22 0.00 0.00 0.00 0.00 179.25 179.89 3gdn h ALA 43 N 1.27 0.55 -0.11 0.00 0.00 -1.00 -1.33 119.26 118.64 3gdn h ALA 43 Ca 0.28 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3gdn h ALA 43 Cb -0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3gdn h ALA 43 CO -0.06 0.10 0.06 1.15 0.00 0.00 0.00 179.25 180.50 3gdn h THR 44 N 0.55 1.09 -0.46 0.00 2.02 -1.01 -2.73 112.91 112.38 3gdn h THR 44 Ca 0.15 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 3gdn h THR 44 Cb 0.09 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 3gdn h THR 44 CO -0.02 0.08 0.18 -0.07 0.37 0.00 0.00 175.52 176.06 3gdn h LEU 45 N 0.08 0.59 -0.51 2.58 3.38 -1.18 -2.00 115.31 118.25 3gdn h LEU 45 Ca 0.04 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3gdn h LEU 45 Cb 0.08 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3gdn h LEU 45 CO -0.01 0.54 0.00 -1.54 0.09 0.00 0.00 178.44 177.52 3gdn n SER 46 N -4.36 0.32 0.28 -0.43 3.41 -0.51 -1.22 113.62 111.12 3gdn n SER 46 Ca 0.03 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 3gdn n SER 46 Cb 0.15 -0.66 0.81 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.27 -3.33 114.58 119.39 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 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3gdn h GLU 47 CO 0.00 0.01 -0.50 1.63 -1.00 0.00 0.00 179.01 179.14 3gdn n LYS 48 N -4.10 2.22 -4.56 2.33 5.02 -0.94 -4.94 118.16 113.19 3gdn n LYS 48 Ca -0.03 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.00 3gdn n LYS 48 Cb 0.09 -0.75 -0.11 0.00 -0.02 0.00 0.00 35.03 34.24 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 -1.40 2.39 -0.27 2.13 1.51 -0.35 -5.10 117.35 116.26 3gdn s TYR 49 Ca 0.00 -0.64 -0.29 0.00 -1.01 0.00 0.00 57.07 55.14 3gdn s TYR 49 Cb 0.00 -1.55 0.01 0.00 -0.11 0.00 0.00 41.96 40.31 3gdn s TYR 49 CO 0.00 0.45 1.03 0.15 -1.11 0.00 0.00 175.55 176.07 3gdn s LYS 50 N -3.69 4.17 0.00 -0.62 -0.14 -1.26 -4.05 119.74 114.15 3gdn s LYS 50 Ca 0.34 1.20 0.07 0.00 -1.36 0.00 0.00 55.97 56.21 3gdn s LYS 50 Cb 0.07 -3.68 -0.02 0.00 -1.68 0.00 0.00 37.83 32.52 3gdn s LYS 50 CO 0.17 -0.73 -0.22 0.08 -0.76 0.00 0.00 175.35 173.89 3gdn s VAL 51 N 3.35 1.71 -0.11 3.17 1.01 0.00 -0.85 120.40 128.68 3gdn s VAL 51 Ca 0.44 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.41 3gdn s VAL 51 Cb -0.14 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.81 3gdn s VAL 51 CO 0.10 0.40 -0.14 -0.22 0.00 0.00 0.00 175.10 175.24 3gdn s LEU 52 N -0.73 1.66 -0.13 3.92 2.96 -0.51 -1.20 118.68 124.65 3gdn s LEU 52 Ca 0.08 -0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 3gdn s LEU 52 Cb -0.08 -1.06 -0.03 0.00 0.50 0.00 0.00 46.19 45.51 3gdn s LEU 52 CO 0.00 -0.01 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.32 3gdn s VAL 53 N 1.10 4.10 -0.23 1.68 1.01 -0.30 -0.54 120.40 127.23 3gdn s VAL 53 Ca -0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 3gdn s VAL 53 Cb -0.14 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.48 3gdn s VAL 53 CO -0.03 0.53 -0.10 -0.76 0.00 0.00 0.00 175.10 174.73 3gdn s LEU 54 N -0.06 2.88 -0.10 3.92 1.43 -0.05 -0.21 118.68 126.49 3gdn s LEU 54 Ca 0.03 -0.82 0.04 0.00 -1.03 0.00 0.00 54.13 52.34 3gdn s LEU 54 Cb -0.13 -1.61 -0.00 0.00 0.03 0.00 0.00 46.19 44.48 3gdn s LEU 54 CO 0.02 -0.09 -0.23 -0.70 0.23 0.00 0.00 176.35 175.59 3gdn s GLU 55 N 1.31 3.09 0.32 1.70 2.56 0.71 -0.77 118.70 127.61 3gdn s GLU 55 Ca 0.01 -0.86 0.08 0.00 0.00 0.00 0.00 54.97 54.21 3gdn s GLU 55 Cb -0.16 -2.34 0.53 0.00 2.00 0.00 0.00 34.13 34.17 3gdn s GLU 55 CO -0.07 0.18 1.74 0.07 -0.56 0.00 0.00 175.26 176.62 3gdn h ARG 56 N 6.72 0.18 0.00 4.30 0.11 -1.71 0.15 114.38 124.12 3gdn h ARG 56 Ca -0.20 -0.08 -0.23 0.00 0.10 0.00 0.00 59.98 59.58 3gdn h ARG 56 Cb 1.24 -0.00 0.09 0.00 1.11 0.00 0.00 29.97 32.40 3gdn h ARG 56 CO 0.48 0.55 0.20 0.41 0.10 0.00 0.00 179.97 181.70 3gdn n GLY 57 N -0.28 -1.06 3.98 0.08 0.00 -1.26 -3.32 105.19 103.34 3gdn n GLY 57 Ca -0.01 -1.73 -0.24 0.00 0.00 0.00 0.00 46.02 44.04 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 -3.49 4.43 0.55 1.61 0.01 -1.26 -1.21 113.70 114.34 3gdn s SER 58 Ca 0.39 -0.24 -0.17 0.00 1.31 0.00 0.00 55.95 57.23 3gdn s SER 58 Cb -0.01 -0.20 -0.06 0.00 0.21 0.00 0.00 66.02 65.96 3gdn s SER 58 CO 0.27 -1.80 1.04 -0.76 0.41 0.00 0.00 173.24 172.40 3gdn s LEU 59 N -5.14 3.64 0.57 2.44 1.43 -1.26 -0.96 118.68 119.40 3gdn s LEU 59 Ca 0.65 1.83 0.26 0.00 -1.03 0.00 0.00 54.13 55.85 3gdn s LEU 59 Cb -0.06 -4.54 1.62 0.00 0.03 0.00 0.00 46.19 43.24 3gdn s LEU 59 CO 0.44 -0.97 2.17 -0.65 0.23 0.00 0.00 176.35 177.57 3gdn h PRO 60 N 0.89 0.00 0.00 1.29 0.11 -1.94 -1.39 132.00 130.97 3gdn h PRO 60 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gdn h PRO 60 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3gdn h PRO 60 CO 0.58 0.00 -0.02 1.79 -0.21 0.00 0.00 178.00 180.15 3gdn h THR 61 N 0.00 0.11 0.00 -1.15 1.35 -1.98 -1.89 112.91 109.35 3gdn h THR 61 Ca 0.04 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 3gdn h THR 61 Cb 0.22 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 3gdn h THR 61 CO -0.00 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 175.29 3gdn h ALA 62 N 1.98 1.00 -2.25 6.62 0.00 -1.62 -3.35 119.26 121.65 3gdn h ALA 62 Ca -0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 3gdn h ALA 62 Cb 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.60 3gdn h ALA 62 CO 0.00 0.00 -1.00 0.66 0.00 0.00 0.00 179.25 178.91 3gdn n TYR 63 N -2.56 -0.36 -0.46 0.00 4.02 -0.71 -5.02 117.16 112.08 3gdn n TYR 63 Ca 0.03 -3.48 0.38 0.00 -0.01 0.00 0.00 57.90 54.82 3gdn n TYR 63 Cb 0.35 -0.05 0.66 0.00 -0.02 0.00 0.00 39.34 40.29 3gdn n TYR 63 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3gdn h PRO 64 N 4.92 0.04 0.00 -0.72 0.11 -1.71 -1.33 132.00 133.32 3gdn h PRO 64 Ca 0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3gdn h PRO 64 Cb 0.88 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3gdn h PRO 64 CO 0.44 0.03 0.00 0.09 -0.21 0.00 0.00 178.00 178.35 3gdn n ASN 65 N -4.74 0.00 -0.28 -2.05 3.02 -1.26 -1.25 115.26 108.71 3gdn n ASN 65 Ca 0.39 -0.07 0.14 0.00 -0.03 0.00 0.00 54.58 55.01 3gdn n ASN 65 Cb 1.50 -0.19 0.51 0.00 -0.61 0.00 0.00 39.78 40.98 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 -1.19 0.00 0.38 2.41 0.24 -0.50 -3.94 118.33 115.73 3gdn n VAL 66 Ca 0.07 -0.14 0.12 0.00 -2.04 0.00 0.00 64.34 62.35 3gdn n VAL 66 Cb 0.09 0.27 0.21 0.00 -1.47 0.00 0.00 33.84 32.94 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 -0.47 3.41 -4.09 1.34 4.77 -0.38 -4.79 117.00 116.79 3gdn n LEU 67 Ca 0.16 -1.44 -0.12 0.00 -0.03 0.00 0.00 56.01 54.57 3gdn n LEU 67 Cb 0.32 -0.23 -0.11 0.00 -2.33 0.00 0.00 43.42 41.07 3gdn n LEU 67 CO 0.22 0.72 -0.39 0.42 -1.33 0.00 0.00 177.39 177.03 3gdn s THR 68 N -1.54 0.55 0.25 -5.08 -4.23 -1.25 -0.91 115.64 103.43 3gdn s THR 68 Ca 0.38 -1.34 -0.03 0.00 -1.18 0.00 0.00 61.69 59.52 3gdn s THR 68 Cb 0.23 -0.93 0.10 0.00 1.34 0.00 0.00 72.50 73.24 3gdn s THR 68 CO 0.32 -0.55 1.73 0.00 -0.54 0.00 0.00 174.62 175.58 3gdn h ALA 69 N 4.02 1.05 0.00 3.99 0.00 -1.21 -2.16 119.26 124.95 3gdn h ALA 69 Ca -0.35 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3gdn h ALA 69 Cb 1.19 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3gdn h ALA 69 CO 0.48 0.59 0.00 -0.40 0.00 0.00 0.00 179.25 179.92 3gdn n ASP 70 N -4.20 0.07 -0.38 0.00 5.68 -1.26 -2.19 116.55 114.27 3gdn n ASP 70 Ca 0.02 -1.64 0.06 0.00 -0.50 0.00 0.00 54.79 52.73 3gdn n ASP 70 Cb 0.32 -0.04 0.03 0.00 -1.14 0.00 0.00 41.12 40.29 3gdn n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gdn n GLY 71 N 0.30 -0.16 0.44 6.12 0.00 -0.81 -4.68 105.19 106.40 3gdn n GLY 71 Ca 0.00 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 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 1.89 -1.31 -0.64 1.61 3.57 -1.52 -1.98 116.94 118.56 3gdn h PHE 72 Ca 0.00 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 3gdn h PHE 72 Cb 0.46 0.56 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 3gdn h PHE 72 CO 0.00 -0.54 0.15 0.28 -2.23 0.00 0.00 178.31 175.97 3gdn h VAL 73 N -0.66 1.25 -0.32 1.41 2.07 -1.84 -3.10 116.25 115.06 3gdn h VAL 73 Ca 0.02 -0.93 0.07 0.00 0.82 0.00 0.00 66.70 66.68 3gdn h VAL 73 Cb 0.70 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 3gdn h VAL 73 CO -0.29 0.35 -0.19 0.22 0.02 0.00 0.00 177.57 177.69 3gdn h TYR 74 N 0.97 -0.48 -0.98 1.57 3.20 -1.72 -1.09 116.97 118.45 3gdn h TYR 74 Ca 0.20 0.04 0.09 0.00 3.14 0.00 0.00 58.73 62.20 3gdn h TYR 74 Cb 0.36 0.26 -0.07 0.00 1.54 0.00 0.00 36.73 38.81 3gdn h TYR 74 CO 0.02 -0.27 0.62 -0.91 -1.64 0.00 0.00 178.16 175.99 3gdn h ASN 75 N -0.15 0.95 0.53 -2.11 -0.26 -1.30 -0.69 115.58 112.56 3gdn h ASN 75 Ca 0.17 0.03 -0.10 0.00 -0.56 0.00 0.00 56.30 55.83 3gdn h ASN 75 Cb 0.40 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.48 3gdn h ASN 75 CO -0.41 0.57 -0.47 -0.07 -1.06 0.00 0.00 177.43 175.99 3gdn h LEU 76 N 1.06 0.00 -0.40 1.61 3.38 -1.35 -3.01 115.31 116.60 3gdn h LEU 76 Ca 0.45 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.33 3gdn h LEU 76 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3gdn h LEU 76 CO -0.21 0.47 -0.41 1.56 0.09 0.00 0.00 178.44 179.93 3gdn h GLN 77 N 0.00 0.00 -6.74 1.13 4.20 0.07 -0.63 115.11 113.13 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 0.86 0.00 0.07 0.00 0.30 0.00 0.00 27.48 28.71 3gdn h GLN 77 CO 0.06 0.41 0.86 -1.14 -0.67 0.00 0.00 178.83 178.35 3gdn s GLN 78 N -3.23 4.18 0.40 1.46 0.74 -0.68 -4.84 119.66 117.69 3gdn s GLN 78 Ca 0.03 2.47 -0.27 0.00 0.05 0.00 0.00 55.36 57.63 3gdn s GLN 78 Cb 0.09 -3.07 -0.10 0.00 1.10 0.00 0.00 33.01 31.02 3gdn s GLN 78 CO 0.71 -0.58 1.45 -1.21 -0.55 0.00 0.00 175.29 175.11 3gdn s GLU 79 N -0.06 4.00 -0.61 1.67 2.02 -1.26 -4.93 118.70 119.53 3gdn s GLU 79 Ca 0.64 2.48 -0.25 0.00 0.02 0.00 0.00 54.97 57.87 3gdn s GLU 79 Cb -0.46 -2.87 0.05 0.00 0.10 0.00 0.00 34.13 30.95 3gdn s GLU 79 CO 0.42 -0.59 1.02 0.34 0.02 0.00 0.00 175.26 176.48 3gdn s ASP 80 N -0.30 6.28 -0.04 -0.19 -1.08 -1.26 -4.86 116.67 115.22 3gdn s ASP 80 Ca 0.55 -0.49 0.21 0.00 -0.52 0.00 0.00 52.55 52.30 3gdn s ASP 80 Cb -0.45 -2.46 0.67 0.00 -1.46 0.00 0.00 42.92 39.22 3gdn s ASP 80 CO 0.60 -1.40 1.57 -0.90 0.52 0.00 0.00 175.17 175.56 3gdn n ASP 81 N 7.90 4.20 0.00 -0.34 5.68 -1.26 -4.92 116.55 127.81 3gdn n ASP 81 Ca 0.01 -2.15 0.00 0.00 -0.50 0.00 0.00 54.79 52.15 3gdn n ASP 81 Cb 0.47 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 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 1.49 1.70 0.00 6.12 0.00 -1.26 -4.80 105.19 108.45 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 0.81 -1.15 1.61 5.02 -1.26 -5.07 118.16 116.12 3gdn n LYS 83 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 3gdn n LYS 83 Cb 0.00 -1.00 0.11 0.00 -0.02 0.00 0.00 35.03 34.13 3gdn n LYS 83 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3gdn n THR 84 N -1.59 2.05 0.30 -0.18 -2.24 -1.26 -4.63 114.28 106.72 3gdn n THR 84 Ca 0.00 -0.26 0.16 0.00 -2.27 0.00 0.00 64.05 61.69 3gdn n THR 84 Cb 0.10 -1.10 0.76 0.00 -2.10 0.00 0.00 70.33 67.98 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 -0.77 0.00 -4.66 -0.78 0.13 -1.95 -3.40 132.00 120.57 3gdn h PRO 85 Ca -0.46 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.97 3gdn h PRO 85 Cb 1.31 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.14 3gdn h PRO 85 CO 0.45 0.00 -0.60 0.08 -0.23 0.00 0.00 178.00 177.70 3gdn s VAL 86 N -3.68 3.70 -0.17 1.56 1.01 -1.26 -0.71 120.40 120.85 3gdn s VAL 86 Ca -0.00 -1.24 -0.17 0.00 0.00 0.00 0.00 61.98 60.57 3gdn s VAL 86 Cb 0.10 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3gdn s VAL 86 CO 0.42 -0.23 0.44 -0.70 0.00 0.00 0.00 175.10 175.04 3gdn s GLU 87 N 1.37 4.24 0.16 2.72 2.12 -0.02 -4.78 118.70 124.52 3gdn s GLU 87 Ca -0.01 0.32 -0.15 0.00 0.36 0.00 0.00 54.97 55.49 3gdn s GLU 87 Cb -0.20 -3.50 -0.07 0.00 0.26 0.00 0.00 34.13 30.62 3gdn s GLU 87 CO 0.02 0.03 0.58 1.03 -0.54 0.00 0.00 175.26 176.38 3gdn s ARG 88 N 1.07 4.02 0.14 4.30 0.52 -1.26 -1.47 118.95 126.27 3gdn s ARG 88 Ca 0.22 0.55 -0.18 0.00 -0.52 0.00 0.00 55.73 55.81 3gdn s ARG 88 Cb -0.15 -2.91 0.04 0.00 0.52 0.00 0.00 34.95 32.46 3gdn s ARG 88 CO 0.09 0.46 0.47 -0.59 0.02 0.00 0.00 175.30 175.75 3gdn s PHE 89 N -1.49 -0.29 -0.07 -0.53 -0.12 -0.64 -4.98 117.98 109.85 3gdn s PHE 89 Ca 0.39 0.00 0.01 0.00 -0.05 0.00 0.00 56.93 57.29 3gdn s PHE 89 Cb -0.15 0.36 0.02 0.00 -0.63 0.00 0.00 43.02 42.62 3gdn s PHE 89 CO 0.19 -0.77 -0.09 0.08 -0.05 0.00 0.00 175.22 174.58 3gdn s VAL 90 N -3.80 0.97 0.84 -2.49 1.01 -1.26 -0.40 120.40 115.28 3gdn s VAL 90 Ca 0.03 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 3gdn s VAL 90 Cb 0.01 -0.94 0.10 0.00 0.00 0.00 0.00 36.38 35.55 3gdn s VAL 90 CO -0.11 0.33 1.09 -0.94 0.00 0.00 0.00 175.10 175.47 3gdn s SER 91 N 1.01 3.99 0.51 3.32 1.04 -0.87 -4.76 113.70 117.93 3gdn s SER 91 Ca -0.09 1.55 0.34 0.00 0.48 0.00 0.00 55.95 58.23 3gdn s SER 91 Cb -0.15 -2.25 1.68 0.00 0.10 0.00 0.00 66.02 65.40 3gdn s SER 91 CO -0.00 -2.32 2.03 -0.33 0.98 0.00 0.00 173.24 173.60 3gdn h GLU 92 N -1.33 0.00 0.00 4.02 5.08 -0.83 0.46 114.58 121.98 3gdn h GLU 92 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3gdn h GLU 92 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3gdn h GLU 92 CO 0.55 0.00 0.00 -0.44 -1.00 0.00 0.00 179.01 178.12 3gdn h ASP 93 N 0.00 0.00 0.00 1.42 5.19 -1.90 -3.46 116.42 117.67 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 0.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.71 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 0.40 0.84 3.52 2.75 0.00 0.15 -5.08 105.19 107.77 3gdn n GLY 94 Ca 0.03 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 4.70 0.52 -0.61 -1.09 -1.25 -4.84 121.20 116.63 3gdn s ILE 95 Ca 0.00 -0.04 -0.22 0.00 -2.23 0.00 0.00 60.65 58.15 3gdn s ILE 95 Cb 0.00 -3.20 -0.06 0.00 -1.58 0.00 0.00 42.46 37.62 3gdn s ILE 95 CO 0.00 0.33 1.34 -1.81 -1.23 0.00 0.00 174.94 173.56 3gdn s ASP 96 N 1.50 5.48 0.31 3.58 1.01 -0.70 -2.05 116.67 125.80 3gdn s ASP 96 Ca 0.06 2.72 -0.15 0.00 0.71 0.00 0.00 52.55 55.89 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 0.06 -1.43 0.65 0.21 0.21 0.00 0.00 175.17 174.87 3gdn s ASN 97 N -0.95 0.03 0.09 0.27 3.84 0.47 -4.57 114.94 114.12 3gdn s ASN 97 Ca 0.69 -0.98 -0.10 0.00 0.21 0.00 0.00 52.86 52.67 3gdn s ASN 97 Cb -0.39 0.72 0.01 0.00 -0.55 0.00 0.00 41.25 41.04 3gdn s ASN 97 CO 0.47 -1.40 0.24 0.68 -2.79 0.00 0.00 177.10 174.30 3gdn s VAL 98 N -3.32 0.12 0.03 -5.21 -7.23 -1.26 -1.62 120.40 101.90 3gdn s VAL 98 Ca 0.18 -1.02 -0.08 0.00 -1.81 0.00 0.00 61.98 59.26 3gdn s VAL 98 Cb -0.04 -1.27 -0.00 0.00 0.56 0.00 0.00 36.38 35.64 3gdn s VAL 98 CO 0.11 -0.56 0.15 0.00 -0.31 0.00 0.00 175.10 174.49 3gdn s ARG 99 N -3.73 0.62 0.55 4.82 1.70 -0.55 -4.97 118.95 117.38 3gdn s ARG 99 Ca 0.04 -0.61 -0.19 0.00 -0.47 0.00 0.00 55.73 54.50 3gdn s ARG 99 Cb 0.04 0.25 -0.06 0.00 -0.57 0.00 0.00 34.95 34.61 3gdn s ARG 99 CO -0.11 -0.17 1.08 0.20 -1.08 0.00 0.00 175.30 175.23 3gdn s GLY 100 N -1.94 2.45 -0.44 3.88 0.00 -1.26 -0.84 107.32 109.17 3gdn s GLY 100 Ca -0.07 0.65 0.07 0.00 0.00 0.00 0.00 44.72 45.36 3gdn s GLY 100 CO -0.03 0.98 0.63 -2.13 0.00 0.00 0.00 173.10 172.55 3gdn n ARG 101 N -1.44 0.60 -3.56 2.90 0.63 0.12 -4.73 116.66 111.18 3gdn n ARG 101 Ca 0.10 -2.60 -0.06 0.00 -0.92 0.00 0.00 57.85 54.37 3gdn n ARG 101 Cb 0.52 -1.41 -0.02 0.00 0.45 0.00 0.00 32.46 31.99 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 -0.09 0.00 0.13 5.15 0.11 -1.26 -3.95 120.40 120.49 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 0.14 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.89 3gdn s VAL 102 CO -0.16 0.00 1.58 -0.22 -3.33 0.00 0.00 175.10 172.98 3gdn s LEU 103 N -2.14 4.37 0.00 2.54 2.96 -0.14 -0.44 118.68 125.82 3gdn s LEU 103 Ca 0.07 2.56 0.00 0.00 -0.22 0.00 0.00 54.13 56.54 3gdn s LEU 103 Cb -0.01 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.10 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 3.81 1.61 7.00 7.98 0.00 0.15 -4.52 105.19 121.22 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 -0.98 0.76 0.11 -0.02 0.00 0.41 -2.98 105.19 102.48 3gdn n GLY 105 Ca 0.00 -0.70 0.11 0.00 0.00 0.00 0.00 46.02 45.43 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 0.85 0.42 2.61 -1.04 -1.26 -1.91 114.28 113.95 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 -1.13 0.48 0.00 -1.82 0.00 0.00 70.33 67.86 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 -2.11 0.65 0.06 8.00 3.41 -1.16 -1.94 113.62 120.52 3gdn n SER 107 Ca 0.02 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.41 3gdn n SER 107 Cb 0.22 -0.79 0.27 0.00 -0.26 0.00 0.00 64.21 63.65 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 -2.21 0.34 -0.32 -1.33 2.08 -0.80 -4.12 119.36 113.00 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 0.24 -0.22 0.00 0.00 -0.75 0.00 0.00 39.64 38.91 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 0.51 -1.87 1.39 -5.35 -0.82 -4.79 119.36 106.40 3gdn n ILE 109 Ca 0.04 -0.60 -0.18 0.00 -0.27 0.00 0.00 62.75 61.75 3gdn n ILE 109 Cb 0.42 0.83 0.12 0.00 -1.74 0.00 0.00 39.64 39.26 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 -0.25 0.32 -0.13 7.28 0.23 -0.83 -4.97 115.26 116.91 3gdn n ASN 110 Ca 0.00 -1.45 0.06 0.00 -0.53 0.00 0.00 54.58 52.66 3gdn n ASN 110 Cb 0.26 -0.59 0.31 0.00 -2.08 0.00 0.00 39.78 37.69 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 -3.37 2.55 -0.42 -2.53 0.00 -1.26 -4.92 120.51 110.55 3gdn n ALA 111 Ca -0.13 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3gdn n ALA 111 Cb 0.38 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.77 0.85 3.70 0.00 0.00 -1.26 -4.58 105.19 104.67 3gdn n GLY 112 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.19 2.92 -0.12 1.61 1.01 -1.26 -0.34 120.40 122.02 3gdn s VAL 113 Ca 0.00 0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.51 3gdn s VAL 113 Cb 0.00 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 3gdn s VAL 113 CO 0.00 0.02 -0.18 -0.47 0.00 0.00 0.00 175.10 174.47 3gdn s TYR 114 N 2.01 2.71 -0.01 5.22 5.04 -0.30 -4.75 117.35 127.26 3gdn s TYR 114 Ca 0.72 -0.88 -0.09 0.00 -2.44 0.00 0.00 57.07 54.38 3gdn s TYR 114 Cb -0.41 -1.80 0.01 0.00 0.35 0.00 0.00 41.96 40.11 3gdn s TYR 114 CO 0.32 -0.34 0.18 0.00 -1.34 0.00 0.00 175.55 174.37 3gdn s ALA 115 N 0.43 -0.45 0.43 3.97 0.00 -1.26 -3.15 121.76 121.73 3gdn s ALA 115 Ca -0.13 0.05 -0.10 0.00 0.00 0.00 0.00 51.96 51.77 3gdn s ALA 115 Cb -0.17 0.05 -0.06 0.00 0.00 0.00 0.00 23.12 22.95 3gdn s ALA 115 CO 0.06 -0.21 0.80 1.03 0.00 0.00 0.00 175.76 177.44 3gdn s ARG 116 N -1.21 3.76 0.59 0.00 0.52 -0.01 -3.91 118.95 118.69 3gdn s ARG 116 Ca -0.13 0.49 -0.18 0.00 -0.52 0.00 0.00 55.73 55.39 3gdn s ARG 116 Cb -0.06 -2.35 -0.03 0.00 0.52 0.00 0.00 34.95 33.02 3gdn s ARG 116 CO 0.02 -0.10 1.17 0.00 0.02 0.00 0.00 175.30 176.41 3gdn s ALA 117 N -2.48 2.55 -0.15 2.13 0.00 -1.26 -3.37 121.76 119.19 3gdn s ALA 117 Ca 0.52 0.89 -0.36 0.00 0.00 0.00 0.00 51.96 53.01 3gdn s ALA 117 Cb -0.10 -3.41 -0.13 0.00 0.00 0.00 0.00 23.12 19.48 3gdn s ALA 117 CO 0.34 -1.10 1.84 -1.71 0.00 0.00 0.00 175.76 175.13 3gdn n ASN 118 N -1.66 3.11 0.07 0.00 2.85 -0.03 -4.60 115.26 114.99 3gdn n ASN 118 Ca 0.13 1.01 0.06 0.00 -0.11 0.00 0.00 54.58 55.67 3gdn n ASN 118 Cb 0.50 -1.30 0.31 0.00 1.24 0.00 0.00 39.78 40.53 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 4.97 1.35 1.16 -0.44 -2.24 -1.26 -2.30 114.28 115.52 3gdn n THR 119 Ca 0.24 0.48 0.13 0.00 -2.27 0.00 0.00 64.05 62.62 3gdn n THR 119 Cb 0.24 -1.42 0.33 0.00 -2.10 0.00 0.00 70.33 67.39 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 -1.83 0.83 0.16 3.42 7.64 -1.26 -4.26 113.62 118.31 3gdn n SER 120 Ca 0.01 -0.65 0.10 0.00 1.01 0.00 0.00 58.87 59.33 3gdn n SER 120 Cb 0.08 0.17 0.08 0.00 -1.01 0.00 0.00 64.21 63.53 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 0.76 0.14 -0.77 0.44 3.07 -1.84 -3.36 117.51 115.94 3gdn h ILE 121 Ca 0.00 -1.21 -0.05 0.00 1.55 0.00 0.00 64.86 65.15 3gdn h ILE 121 Cb 0.50 1.89 -0.03 0.00 -0.27 0.00 0.00 36.82 38.91 3gdn h ILE 121 CO 0.00 0.08 0.30 1.88 -1.05 0.00 0.00 178.15 179.36 3gdn h TYR 122 N 0.00 1.17 -0.12 0.16 -1.99 -1.78 -3.36 116.97 111.05 3gdn h TYR 122 Ca -0.01 -0.09 0.01 0.00 2.00 0.00 0.00 58.73 60.64 3gdn h TYR 122 Cb 1.08 -0.35 -0.01 0.00 2.00 0.00 0.00 36.73 39.45 3gdn h TYR 122 CO 0.00 0.89 -0.07 1.03 -0.00 0.00 0.00 178.16 180.01 3gdn h SER 123 N 1.12 -0.27 -1.66 3.88 0.87 -1.86 -2.91 113.55 112.71 3gdn h SER 123 Ca 0.26 0.04 -0.70 0.00 -1.23 0.00 0.00 61.79 60.16 3gdn h SER 123 Cb 0.22 0.12 -0.32 0.00 -0.44 0.00 0.00 62.40 61.98 3gdn h SER 123 CO -0.02 -0.03 0.52 0.00 -0.53 0.00 0.00 176.83 176.77 3gdn n ALA 124 N -3.01 6.08 0.93 6.23 0.00 -1.26 -4.63 120.51 124.85 3gdn n ALA 124 Ca 0.00 -4.05 0.12 0.00 0.00 0.00 0.00 53.44 49.51 3gdn n ALA 124 Cb 0.03 -1.53 0.16 0.00 0.00 0.00 0.00 19.45 18.11 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 -0.59 0.61 0.00 0.00 3.41 -1.10 -4.94 113.62 111.00 3gdn n SER 125 Ca 0.51 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 3gdn n SER 125 Cb 0.44 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.82 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 1.48 0.53 3.20 5.00 0.00 -1.26 -4.94 105.19 109.20 3gdn n GLY 126 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.23 1.72 -0.93 1.61 1.01 -1.26 -4.15 120.40 116.17 3gdn s VAL 127 Ca 0.00 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 3gdn s VAL 127 Cb 0.00 -1.46 0.12 0.00 0.00 0.00 0.00 36.38 35.04 3gdn s VAL 127 CO 0.00 0.49 1.17 -0.62 0.00 0.00 0.00 175.10 176.13 3gdn s ASP 128 N -0.09 6.59 0.24 3.32 2.15 -1.26 -4.89 116.67 122.72 3gdn s ASP 128 Ca -0.03 -1.91 -0.30 0.00 0.43 0.00 0.00 52.55 50.74 3gdn s ASP 128 Cb -0.12 -2.42 -0.09 0.00 -0.30 0.00 0.00 42.92 39.98 3gdn s ASP 128 CO 0.03 -1.14 1.20 0.26 -0.17 0.00 0.00 175.17 175.35 3gdn s TRP 129 N 3.07 3.39 -0.72 -5.34 0.52 -1.26 -4.98 118.94 113.62 3gdn s TRP 129 Ca 0.34 1.47 -0.17 0.00 0.02 0.00 0.00 56.10 57.76 3gdn s TRP 129 Cb -0.05 -3.45 0.15 0.00 -1.15 0.00 0.00 33.47 28.97 3gdn s TRP 129 CO -0.09 -1.22 0.77 0.34 0.02 0.00 0.00 176.95 176.77 3gdn s ASP 130 N -0.22 6.44 0.51 2.95 -1.08 -1.26 -4.91 116.67 119.11 3gdn s ASP 130 Ca 0.50 -1.99 0.20 0.00 -0.52 0.00 0.00 52.55 50.75 3gdn s ASP 130 Cb -0.34 -2.28 1.35 0.00 -1.46 0.00 0.00 42.92 40.19 3gdn s ASP 130 CO 0.41 -0.90 2.12 0.24 0.52 0.00 0.00 175.17 177.55 3gdn h MET 131 N 8.64 0.00 -0.47 4.34 2.86 -1.99 0.77 114.93 129.08 3gdn h MET 131 Ca -0.09 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.46 3gdn h MET 131 Cb 1.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 3gdn h MET 131 CO 0.98 0.07 -0.04 -0.44 1.06 0.00 0.00 176.91 178.55 3gdn h ASP 132 N 0.00 0.85 -0.45 1.22 3.32 -2.00 -1.98 116.42 117.38 3gdn h ASP 132 Ca -0.00 -0.33 -0.12 0.00 0.02 0.00 0.00 57.03 56.60 3gdn h ASP 132 Cb 0.15 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3gdn h ASP 132 CO 0.01 0.98 -0.20 0.25 -1.72 0.00 0.00 179.24 178.55 3gdn h LEU 133 N 0.71 0.95 -0.11 1.55 5.85 -1.68 -1.83 115.31 120.77 3gdn h LEU 133 Ca 0.13 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.48 3gdn h LEU 133 Cb 0.56 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3gdn h LEU 133 CO 0.03 1.14 -0.10 0.58 -0.34 0.00 0.00 178.44 179.75 3gdn h VAL 134 N 0.76 0.71 -0.47 1.05 2.07 -0.72 -0.27 116.25 119.39 3gdn h VAL 134 Ca 0.10 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.53 3gdn h VAL 134 Cb 0.77 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3gdn h VAL 134 CO 0.06 0.00 -0.09 0.78 0.02 0.00 0.00 177.57 178.34 3gdn h ASN 135 N -0.12 0.83 -0.47 0.57 2.35 -1.32 -0.94 115.58 116.47 3gdn h ASN 135 Ca 0.07 -0.25 -0.03 0.00 -0.55 0.00 0.00 56.30 55.55 3gdn h ASN 135 Cb 0.23 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 3gdn h ASN 135 CO -0.18 0.95 0.22 1.56 -1.65 0.00 0.00 177.43 178.33 3gdn h GLN 136 N 0.77 0.74 -0.25 0.81 4.20 -0.99 -1.48 115.11 118.90 3gdn h GLN 136 Ca 0.13 -0.10 -0.20 0.00 0.06 0.00 0.00 58.65 58.54 3gdn h GLN 136 Cb 0.59 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3gdn h GLN 136 CO 0.04 0.60 -0.62 1.15 -0.67 0.00 0.00 178.83 179.33 3gdn h THR 137 N 0.73 1.27 -0.64 -0.54 2.02 -0.54 -1.35 112.91 113.87 3gdn h THR 137 Ca 0.18 -1.80 0.01 0.00 0.77 0.00 0.00 66.41 65.57 3gdn h THR 137 Cb 0.13 1.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 3gdn h THR 137 CO -0.02 0.58 0.41 1.88 0.37 0.00 0.00 175.52 178.75 3gdn h TYR 138 N 0.64 0.78 -0.78 3.16 0.99 -0.79 -1.35 116.97 119.62 3gdn h TYR 138 Ca -0.01 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 3gdn h TYR 138 Cb 1.24 -0.26 -0.04 0.00 1.00 0.00 0.00 36.73 38.67 3gdn h TYR 138 CO 0.08 0.48 0.44 0.93 -0.00 0.00 0.00 178.16 180.09 3gdn h GLU 139 N 0.84 1.07 -0.61 4.88 5.08 -1.15 0.23 114.58 124.93 3gdn h GLU 139 Ca 0.24 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3gdn h GLU 139 Cb -0.06 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 28.93 3gdn h GLU 139 CO -0.07 0.78 0.38 2.35 -1.00 0.00 0.00 179.01 181.46 3gdn h TRP 140 N 1.07 0.72 -0.03 4.33 7.01 -0.64 0.78 115.95 129.20 3gdn h TRP 140 Ca 0.28 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.28 3gdn h TRP 140 Cb 0.00 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 26.83 3gdn h TRP 140 CO -0.00 0.43 -0.05 0.28 -2.79 0.00 0.00 178.44 176.31 3gdn h VAL 141 N 0.77 1.43 -0.83 2.65 2.07 -0.84 -3.27 116.25 118.23 3gdn h VAL 141 Ca 0.24 -1.35 0.02 0.00 0.82 0.00 0.00 66.70 66.43 3gdn h VAL 141 Cb -0.02 2.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 3gdn h VAL 141 CO -0.08 0.36 0.55 -0.33 0.02 0.00 0.00 177.57 178.09 3gdn h GLU 142 N -0.45 1.04 0.00 1.57 5.08 -0.36 -0.68 114.58 120.77 3gdn h GLU 142 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3gdn h GLU 142 Cb 0.61 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3gdn h GLU 142 CO 0.01 0.69 0.00 -0.25 -1.00 0.00 0.00 179.01 178.46 3gdn n ASP 143 N -4.43 0.00 -0.09 1.42 8.00 0.25 -1.95 116.55 119.75 3gdn n ASP 143 Ca 0.10 0.36 -0.14 0.00 0.71 0.00 0.00 54.79 55.82 3gdn n ASP 143 Cb 0.08 -0.43 -0.08 0.00 -0.02 0.00 0.00 41.12 40.67 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 -1.43 1.00 -1.29 -3.53 -1.04 -0.38 -4.07 114.28 103.54 3gdn n THR 144 Ca 0.05 -0.36 0.01 0.00 -2.04 0.00 0.00 64.05 61.72 3gdn n THR 144 Cb 0.18 -1.24 0.01 0.00 -1.82 0.00 0.00 70.33 67.47 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 -3.17 0.29 -4.90 12.58 -5.35 -0.53 -4.85 119.36 113.43 3gdn n ILE 145 Ca -0.32 -0.33 -0.33 0.00 -0.27 0.00 0.00 62.75 61.50 3gdn n ILE 145 Cb 0.81 0.63 -0.14 0.00 -1.74 0.00 0.00 39.64 39.21 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 -0.39 2.96 0.11 7.28 1.01 -1.02 -4.30 120.40 126.04 3gdn s VAL 146 Ca 0.03 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.33 3gdn s VAL 146 Cb 0.03 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 3gdn s VAL 146 CO 0.00 0.57 -0.14 -0.31 0.00 0.00 0.00 175.10 175.22 3gdn s TYR 147 N -0.40 1.37 -0.24 5.22 1.51 0.25 -0.54 117.35 124.50 3gdn s TYR 147 Ca 0.04 -0.53 -0.26 0.00 -1.01 0.00 0.00 57.07 55.32 3gdn s TYR 147 Cb -0.12 -0.73 0.00 0.00 -0.11 0.00 0.00 41.96 41.00 3gdn s TYR 147 CO 0.02 0.12 0.91 0.21 -1.11 0.00 0.00 175.55 175.70 3gdn s LYS 148 N -2.39 4.20 0.89 -0.62 2.20 -1.26 -1.87 119.74 120.88 3gdn s LYS 148 Ca 0.06 1.08 -0.11 0.00 -0.36 0.00 0.00 55.97 56.64 3gdn s LYS 148 Cb -0.06 -3.65 0.13 0.00 -1.51 0.00 0.00 37.83 32.73 3gdn s LYS 148 CO 0.03 -0.58 1.10 -1.25 -0.36 0.00 0.00 175.35 174.29 3gdn s PRO 149 N 3.00 1.30 0.67 4.03 0.04 -1.26 -4.80 135.00 137.99 3gdn s PRO 149 Ca 0.38 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.42 3gdn s PRO 149 Cb -0.15 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 3gdn s PRO 149 CO 0.07 -2.29 1.05 -0.80 0.04 0.00 0.00 177.00 175.07 3gdn s ASN 150 N -3.15 5.68 0.37 6.66 0.02 -1.26 -5.01 114.94 118.25 3gdn s ASN 150 Ca 0.64 1.45 -0.25 0.00 -1.02 0.00 0.00 52.86 53.68 3gdn s ASN 150 Cb -0.19 -2.38 -0.09 0.00 0.02 0.00 0.00 41.25 38.60 3gdn s ASN 150 CO 0.58 -1.23 1.03 -0.94 0.02 0.00 0.00 177.10 176.56 3gdn s SER 151 N -4.03 6.95 -0.04 -1.22 1.04 -1.26 -5.04 113.70 110.10 3gdn s SER 151 Ca 0.57 2.01 0.00 0.00 0.48 0.00 0.00 55.95 59.02 3gdn s SER 151 Cb -0.12 -2.59 0.03 0.00 0.10 0.00 0.00 66.02 63.43 3gdn s SER 151 CO 0.54 -0.36 -0.01 -1.10 0.98 0.00 0.00 173.24 173.29 3gdn s GLN 152 N -2.29 0.45 0.17 4.02 -0.21 -1.26 -5.07 119.66 115.47 3gdn s GLN 152 Ca 0.55 0.04 -0.22 0.00 0.02 0.00 0.00 55.36 55.75 3gdn s GLN 152 Cb -0.22 -0.61 0.09 0.00 1.00 0.00 0.00 33.01 33.27 3gdn s GLN 152 CO 0.28 -0.14 1.60 1.03 -2.12 0.00 0.00 175.29 175.95 3gdn h SER 153 N 7.33 -1.02 -0.42 5.90 0.87 -1.96 0.14 113.55 124.40 3gdn h SER 153 Ca -0.39 0.19 -0.07 0.00 -1.23 0.00 0.00 61.79 60.30 3gdn h SER 153 Cb 1.14 0.50 -0.02 0.00 -0.44 0.00 0.00 62.40 63.57 3gdn h SER 153 CO 0.45 -0.30 0.04 -0.25 -0.53 0.00 0.00 176.83 176.23 3gdn h TRP 154 N -0.21 0.84 -0.36 2.24 2.91 -1.96 -0.73 115.95 118.67 3gdn h TRP 154 Ca 0.19 -0.10 -0.08 0.00 1.13 0.00 0.00 58.89 60.03 3gdn h TRP 154 Cb 0.53 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 28.92 3gdn h TRP 154 CO -0.54 0.75 -0.11 1.96 -1.03 0.00 0.00 178.44 179.47 3gdn h GLN 155 N 0.75 0.63 -0.45 2.65 1.08 -1.73 -0.64 115.11 117.40 3gdn h GLN 155 Ca 0.15 -0.19 -0.11 0.00 -1.45 0.00 0.00 58.65 57.05 3gdn h GLN 155 Cb 0.40 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 3gdn h GLN 155 CO 0.01 0.72 -0.17 0.77 -0.95 0.00 0.00 178.83 179.22 3gdn h SER 156 N 0.58 0.87 -0.50 1.46 0.02 -0.32 -0.03 113.55 115.62 3gdn h SER 156 Ca 0.10 -0.30 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 3gdn h SER 156 Cb 0.53 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 3gdn h SER 156 CO 0.03 1.03 0.19 0.58 -1.14 0.00 0.00 176.83 177.52 3gdn h VAL 157 N 0.76 1.22 -0.73 2.27 2.07 -0.69 -1.48 116.25 119.68 3gdn h VAL 157 Ca 0.11 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 3gdn h VAL 157 Cb 0.69 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3gdn h VAL 157 CO 0.05 0.26 0.44 0.74 0.02 0.00 0.00 177.57 179.08 3gdn h THR 158 N 0.68 1.21 -0.74 2.57 2.02 -0.79 -1.12 112.91 116.73 3gdn h THR 158 Ca 0.17 -0.47 0.02 0.00 0.77 0.00 0.00 66.41 66.89 3gdn h THR 158 Cb 0.22 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 3gdn h THR 158 CO -0.01 0.22 0.48 0.50 0.37 0.00 0.00 175.52 177.08 3gdn h LYS 159 N 1.00 0.93 -0.33 6.66 3.64 -0.62 -0.14 116.57 127.72 3gdn h LYS 159 Ca 0.26 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 3gdn h LYS 159 Cb -0.03 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 3gdn h LYS 159 CO -0.05 0.62 -0.12 1.79 -2.27 0.00 0.00 179.45 179.41 3gdn h THR 160 N 0.96 1.24 -0.27 1.00 1.35 -0.62 -1.92 112.91 114.66 3gdn h THR 160 Ca 0.28 -1.06 -0.05 0.00 -0.55 0.00 0.00 66.41 65.02 3gdn h THR 160 Cb -0.05 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.49 3gdn h THR 160 CO -0.08 0.35 -0.05 0.00 -0.25 0.00 0.00 175.52 175.49 3gdn h ALA 161 N 1.35 0.37 -0.46 6.62 0.00 -0.38 -1.18 119.26 125.57 3gdn h ALA 161 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3gdn h ALA 161 Cb 0.52 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3gdn h ALA 161 CO 0.03 0.16 0.30 0.74 0.00 0.00 0.00 179.25 180.48 3gdn h PHE 162 N 0.26 0.59 -0.37 0.00 0.05 -0.85 0.19 116.94 116.81 3gdn h PHE 162 Ca 0.07 0.01 -0.09 0.00 3.82 0.00 0.00 57.97 61.78 3gdn h PHE 162 Cb 0.51 -0.20 -0.02 0.00 2.00 0.00 0.00 35.95 38.24 3gdn h PHE 162 CO 0.05 0.38 -0.13 -0.07 -0.18 0.00 0.00 178.31 178.36 3gdn h LEU 163 N 0.62 0.65 -0.78 1.54 3.38 -1.29 -1.43 115.31 118.00 3gdn h LEU 163 Ca 0.17 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 3gdn h LEU 163 Cb -0.06 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3gdn h LEU 163 CO -0.04 0.80 -0.44 -0.08 0.09 0.00 0.00 178.44 178.77 3gdn h GLU 164 N 0.60 0.38 -0.51 1.13 4.81 -0.89 -2.89 114.58 117.21 3gdn h GLU 164 Ca 0.10 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3gdn h GLU 164 Cb 0.57 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3gdn h GLU 164 CO 0.04 0.75 0.00 0.00 -0.73 0.00 0.00 179.01 179.07 3gdn n ALA 165 N -2.49 2.61 -1.08 2.92 0.00 0.03 -4.90 120.51 117.60 3gdn n ALA 165 Ca -0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 53.44 53.11 3gdn n ALA 165 Cb 0.52 -1.01 -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 0.42 0.61 3.51 0.00 0.00 -1.06 -4.95 105.19 103.72 3gdn n GLY 166 Ca 0.05 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.03 4.52 0.29 1.61 1.01 -0.60 -4.95 120.40 120.26 3gdn s VAL 167 Ca 0.00 -1.85 0.10 0.00 0.00 0.00 0.00 61.98 60.22 3gdn s VAL 167 Cb 0.00 -4.98 -0.05 0.00 0.00 0.00 0.00 36.38 31.35 3gdn s VAL 167 CO 0.00 -1.76 -0.02 -1.00 0.00 0.00 0.00 175.10 172.33 3gdn s HIS 168 N 3.14 2.61 0.47 5.22 3.76 -1.26 -2.73 115.29 126.50 3gdn s HIS 168 Ca 0.44 -0.29 -0.05 0.00 -0.15 0.00 0.00 55.06 55.01 3gdn s HIS 168 Cb -0.01 -1.25 0.10 0.00 1.11 0.00 0.00 32.58 32.53 3gdn s HIS 168 CO -0.02 0.59 0.64 -0.35 -0.85 0.00 0.00 174.74 174.75 3gdn n PRO 169 N -0.88 -0.28 -3.38 8.40 -0.04 -1.26 -3.60 135.00 133.96 3gdn n PRO 169 Ca -0.05 -1.28 -0.38 0.00 -0.04 0.00 0.00 63.50 61.75 3gdn n PRO 169 Cb 0.60 -0.57 -0.06 0.00 -0.04 0.00 0.00 33.50 33.43 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 -3.44 6.70 0.00 3.54 2.47 -1.26 -0.91 114.94 122.04 3gdn s ASN 170 Ca 0.39 0.83 0.16 0.00 0.42 0.00 0.00 52.86 54.65 3gdn s ASN 170 Cb -0.02 -2.27 0.16 0.00 -1.45 0.00 0.00 41.25 37.67 3gdn s ASN 170 CO 0.26 0.09 1.04 1.41 -3.72 0.00 0.00 177.10 176.19 3gdn n HIS 171 N 3.18 0.07 -2.13 0.43 8.25 0.19 -4.95 115.22 120.26 3gdn n HIS 171 Ca -0.09 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 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 0.89 2.49 3.64 -1.41 0.00 -1.26 -4.35 105.19 105.18 3gdn n GLY 172 Ca 0.10 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 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 3.30 -0.18 1.61 5.36 -1.26 -1.14 117.98 125.67 3gdn s PHE 173 Ca 0.00 0.39 -0.24 0.00 -0.96 0.00 0.00 56.93 56.12 3gdn s PHE 173 Cb 0.00 -2.45 0.06 0.00 -0.34 0.00 0.00 43.02 40.29 3gdn s PHE 173 CO 0.00 -0.07 0.63 0.45 -1.46 0.00 0.00 175.22 174.78 3gdn s SER 174 N 1.29 -0.64 0.10 6.13 0.15 -0.49 -4.96 113.70 115.29 3gdn s SER 174 Ca 0.13 1.06 0.24 0.00 0.70 0.00 0.00 55.95 58.09 3gdn s SER 174 Cb -0.15 1.04 0.33 0.00 -1.71 0.00 0.00 66.02 65.54 3gdn s SER 174 CO 0.08 -0.34 1.30 0.18 1.20 0.00 0.00 173.24 175.65 3gdn n LEU 175 N 2.14 0.66 -4.74 3.45 4.77 -1.26 -4.07 117.00 117.95 3gdn n LEU 175 Ca -0.16 0.17 -0.41 0.00 -0.03 0.00 0.00 56.01 55.59 3gdn n LEU 175 Cb 0.56 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.43 3gdn n LEU 175 CO 0.11 -0.02 0.75 -1.81 -1.33 0.00 0.00 177.39 175.09 3gdn s ASP 176 N -4.04 7.36 -0.69 -1.43 1.01 -1.26 -0.83 116.67 116.79 3gdn s ASP 176 Ca 0.06 2.02 -0.27 0.00 0.71 0.00 0.00 52.55 55.08 3gdn s ASP 176 Cb 0.14 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.48 3gdn s ASP 176 CO 0.73 -0.14 1.51 -2.28 0.21 0.00 0.00 175.17 175.20 3gdn s HIS 177 N -0.36 2.04 0.05 4.23 5.65 -1.22 -4.91 115.29 120.77 3gdn s HIS 177 Ca 0.48 0.27 0.02 0.00 0.25 0.00 0.00 55.06 56.08 3gdn s HIS 177 Cb -0.28 -4.42 -0.03 0.00 -1.18 0.00 0.00 32.58 26.68 3gdn s HIS 177 CO 0.34 -2.17 -0.07 -1.21 -0.65 0.00 0.00 174.74 170.98 3gdn s GLU 178 N 6.25 0.53 0.27 2.88 2.02 -1.26 -4.61 118.70 124.78 3gdn s GLU 178 Ca 0.48 -0.82 -0.31 0.00 0.02 0.00 0.00 54.97 54.34 3gdn s GLU 178 Cb -0.10 -0.20 -0.12 0.00 0.10 0.00 0.00 34.13 33.81 3gdn s GLU 178 CO 0.17 0.02 1.54 -1.91 0.02 0.00 0.00 175.26 175.10 3gdn n GLU 179 N 1.26 2.48 0.00 1.61 2.13 -1.26 -4.62 120.64 122.24 3gdn n GLU 179 Ca -0.21 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.49 3gdn n GLU 179 Cb 0.56 -2.63 0.00 0.00 0.27 0.00 0.00 31.44 29.64 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 2.27 0.54 3.74 8.31 0.00 0.32 -4.07 105.19 116.30 3gdn n GLY 180 Ca 0.10 -2.23 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.61 4.57 0.22 2.61 2.01 -0.09 -0.54 115.64 123.81 3gdn s THR 181 Ca 0.00 -0.28 -0.22 0.00 0.31 0.00 0.00 61.69 61.49 3gdn s THR 181 Cb 0.00 -3.00 0.04 0.00 0.01 0.00 0.00 72.50 69.55 3gdn s THR 181 CO 0.00 0.50 0.75 0.00 -0.69 0.00 0.00 174.62 175.19 3gdn s ARG 182 N -1.24 1.54 -0.21 4.92 1.70 -0.79 -0.64 118.95 124.23 3gdn s ARG 182 Ca 0.17 -0.80 -0.05 0.00 -0.47 0.00 0.00 55.73 54.58 3gdn s ARG 182 Cb -0.12 0.56 -0.02 0.00 -0.57 0.00 0.00 34.95 34.80 3gdn s ARG 182 CO 0.07 -0.70 -0.01 0.42 -1.08 0.00 0.00 175.30 174.00 3gdn s ILE 183 N -3.73 3.82 0.36 4.99 1.01 -0.30 -0.99 121.20 126.37 3gdn s ILE 183 Ca 0.09 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.43 3gdn s ILE 183 Cb -0.04 -2.73 0.04 0.00 0.01 0.00 0.00 42.46 39.74 3gdn s ILE 183 CO 0.02 0.42 0.36 1.07 0.00 0.00 0.00 174.94 176.81 3gdn n THR 184 N 4.41 0.00 -2.09 2.92 5.66 0.06 -1.39 114.28 123.84 3gdn n THR 184 Ca -0.17 -1.32 -0.27 0.00 -3.05 0.00 0.00 64.05 59.24 3gdn n THR 184 Cb 0.52 -0.40 0.09 0.00 -1.55 0.00 0.00 70.33 68.99 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 -3.41 1.67 0.03 1.09 0.00 -1.19 -4.56 107.32 100.95 3gdn s GLY 185 Ca 0.27 -0.92 -0.06 0.00 0.00 0.00 0.00 44.72 44.01 3gdn s GLY 185 CO 0.17 -0.43 0.10 -0.45 0.00 0.00 0.00 173.10 172.50 3gdn s SER 186 N -4.60 0.13 0.00 1.64 0.15 -0.78 -1.15 113.70 109.09 3gdn s SER 186 Ca 0.63 -0.42 0.24 0.00 0.70 0.00 0.00 55.95 57.10 3gdn s SER 186 Cb -0.10 0.21 0.94 0.00 -1.71 0.00 0.00 66.02 65.36 3gdn s SER 186 CO 0.47 -0.45 1.67 0.35 1.20 0.00 0.00 173.24 176.47 3gdn n THR 187 N 1.04 0.10 -3.59 6.45 -2.24 0.54 -0.58 114.28 115.99 3gdn n THR 187 Ca -0.21 -0.28 -0.36 0.00 -2.27 0.00 0.00 64.05 60.93 3gdn n THR 187 Cb 0.57 0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 69.11 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 -1.90 3.44 0.50 4.78 2.99 -1.26 -0.39 117.98 126.13 3gdn s PHE 188 Ca 0.35 0.51 -0.06 0.00 0.00 0.00 0.00 56.93 57.73 3gdn s PHE 188 Cb 0.19 -2.30 0.11 0.00 0.00 0.00 0.00 43.02 41.02 3gdn s PHE 188 CO 0.30 0.23 0.68 -0.40 -0.00 0.00 0.00 175.22 176.03 3gdn n ASP 189 N 3.64 0.30 0.00 1.36 5.68 0.05 -4.68 116.55 122.89 3gdn n ASP 189 Ca -0.13 -1.40 0.05 0.00 -0.50 0.00 0.00 54.79 52.81 3gdn n ASP 189 Cb 0.52 -0.50 0.22 0.00 -1.14 0.00 0.00 41.12 40.22 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 -3.30 0.00 -0.73 -1.12 4.13 -1.26 -1.29 115.26 111.69 3gdn n ASN 190 Ca 0.09 0.40 0.09 0.00 1.68 0.00 0.00 54.58 56.84 3gdn n ASN 190 Cb 0.32 -0.44 0.09 0.00 -1.54 0.00 0.00 39.78 38.22 3gdn n ASN 190 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3gdn n LYS 191 N -1.44 1.57 -0.54 3.52 5.02 -1.26 -4.95 118.16 120.08 3gdn n LYS 191 Ca 0.03 -1.64 0.00 0.00 -2.02 0.00 0.00 58.31 54.68 3gdn n LYS 191 Cb 0.11 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 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 0.98 0.75 3.72 0.72 0.00 -0.41 -4.98 105.19 105.96 3gdn n GLY 192 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.50 4.14 0.05 2.61 2.01 -1.26 -0.64 115.64 120.04 3gdn s THR 193 Ca 0.00 1.58 -0.25 0.00 0.31 0.00 0.00 61.69 63.33 3gdn s THR 193 Cb 0.00 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 3gdn s THR 193 CO 0.00 0.15 0.77 -0.60 -0.69 0.00 0.00 174.62 174.25 3gdn s ARG 194 N 0.82 4.50 0.11 4.92 3.52 -0.08 -0.77 118.95 131.97 3gdn s ARG 194 Ca 0.56 1.08 0.09 0.00 -0.13 0.00 0.00 55.73 57.33 3gdn s ARG 194 Cb -0.28 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 3gdn s ARG 194 CO 0.30 0.28 -0.19 -1.01 -0.81 0.00 0.00 175.30 173.86 3gdn s HIS 195 N -0.04 2.51 0.18 5.12 3.76 0.47 -4.74 115.29 122.57 3gdn s HIS 195 Ca 0.39 -0.28 -0.04 0.00 -0.15 0.00 0.00 55.06 54.98 3gdn s HIS 195 Cb -0.21 -1.35 0.02 0.00 1.11 0.00 0.00 32.58 32.15 3gdn s HIS 195 CO 0.23 0.36 0.31 0.00 -0.85 0.00 0.00 174.74 174.79 3gdn n ALA 196 N 0.92 -0.49 -0.04 -1.40 0.00 -1.26 -4.71 120.51 113.54 3gdn n ALA 196 Ca -0.16 -0.72 0.16 0.00 0.00 0.00 0.00 53.44 52.72 3gdn n ALA 196 Cb 0.53 0.58 0.59 0.00 0.00 0.00 0.00 19.45 21.14 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 1.85 2.23 -0.46 0.00 0.00 -1.86 -1.73 119.26 119.31 3gdn h ALA 197 Ca -0.15 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3gdn h ALA 197 Cb 0.60 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3gdn h ALA 197 CO 0.19 -0.38 0.30 0.38 0.00 0.00 0.00 179.25 179.75 3gdn h ASP 198 N 0.22 0.43 0.74 0.00 2.03 -1.85 -0.29 116.42 117.69 3gdn h ASP 198 Ca 0.27 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.56 3gdn h ASP 198 Cb 0.76 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.16 3gdn h ASP 198 CO -0.05 0.30 0.00 -0.33 -1.03 0.00 0.00 179.24 178.13 3gdn h GLU 199 N 0.50 0.00 0.00 4.15 5.08 -1.58 -1.22 114.58 121.51 3gdn h GLU 199 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3gdn h GLU 199 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3gdn h GLU 199 CO -0.05 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.24 3gdn n LEU 200 N -3.06 0.58 0.23 1.33 4.77 -0.12 -1.65 117.00 119.08 3gdn n LEU 200 Ca -0.00 0.64 0.08 0.00 -0.03 0.00 0.00 56.01 56.70 3gdn n LEU 200 Cb 0.24 -0.56 0.54 0.00 -2.33 0.00 0.00 43.42 41.31 3gdn n LEU 200 CO 0.25 -0.50 0.85 -0.07 -1.33 0.00 0.00 177.39 176.59 3gdn h LEU 201 N 0.00 0.00 -1.48 2.23 3.38 -1.31 -2.05 115.31 116.08 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 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3gdn h LEU 201 CO 0.00 0.23 0.00 0.78 0.09 0.00 0.00 178.44 179.54 3gdn h ASN 202 N 0.00 0.00 0.77 -0.43 2.35 -1.48 -1.56 115.58 115.23 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 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3gdn h ASN 202 CO 0.03 0.00 -0.11 0.29 -1.65 0.00 0.00 177.43 175.99 3gdn n LYS 203 N -2.69 0.13 -2.17 0.81 4.76 -0.77 -4.86 118.16 113.37 3gdn n LYS 203 Ca 0.00 -0.03 -0.28 0.00 -2.87 0.00 0.00 58.31 55.13 3gdn n LYS 203 Cb 0.20 -1.50 0.18 0.00 -1.84 0.00 0.00 35.03 32.07 3gdn n LYS 203 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3gdn s GLY 204 N -2.89 1.80 -0.32 0.72 0.00 -0.59 -4.86 107.32 101.18 3gdn s GLY 204 Ca 0.17 -1.53 -0.19 0.00 0.00 0.00 0.00 44.72 43.17 3gdn s GLY 204 CO 0.55 -0.76 0.58 0.21 0.00 0.00 0.00 173.10 173.68 3gdn s ASN 205 N -4.92 6.42 0.01 1.64 3.84 -1.26 -4.94 114.94 115.73 3gdn s ASN 205 Ca 0.74 0.25 0.04 0.00 0.21 0.00 0.00 52.86 54.10 3gdn s ASN 205 Cb -0.03 -2.30 0.16 0.00 -0.55 0.00 0.00 41.25 38.53 3gdn s ASN 205 CO 0.51 -0.48 1.12 -1.54 -2.79 0.00 0.00 177.10 173.92 3gdn n SER 206 N 5.83 0.01 -0.12 -4.21 3.41 -1.26 -1.37 113.62 115.91 3gdn n SER 206 Ca -0.03 0.50 0.10 0.00 -0.26 0.00 0.00 58.87 59.19 3gdn n SER 206 Cb 0.49 -0.51 -0.09 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.51 1.22 -0.00 4.04 4.05 -1.26 -4.46 115.26 117.34 3gdn n ASN 207 Ca 0.01 -1.11 0.02 0.00 0.45 0.00 0.00 54.58 53.94 3gdn n ASN 207 Cb 0.04 0.87 -0.02 0.00 1.23 0.00 0.00 39.78 41.89 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 -1.12 3.00 -4.63 1.20 3.02 -0.47 -5.02 115.26 111.24 3gdn n ASN 208 Ca 0.05 -0.17 -0.34 0.00 -0.03 0.00 0.00 54.58 54.08 3gdn n ASN 208 Cb 0.35 1.11 -0.10 0.00 -0.61 0.00 0.00 39.78 40.53 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 -2.92 3.79 -0.05 3.41 2.96 -0.50 -0.82 118.68 124.56 3gdn s LEU 209 Ca -0.01 0.07 0.03 0.00 -0.22 0.00 0.00 54.13 54.00 3gdn s LEU 209 Cb 0.02 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.76 3gdn s LEU 209 CO 0.14 0.17 -0.14 -0.13 -1.32 0.00 0.00 176.35 175.07 3gdn s ARG 210 N 0.40 1.62 -0.11 1.98 0.52 -0.34 -4.82 118.95 118.20 3gdn s ARG 210 Ca 0.03 -0.48 0.03 0.00 -0.52 0.00 0.00 55.73 54.78 3gdn s ARG 210 Cb -0.12 -1.38 -0.01 0.00 0.52 0.00 0.00 34.95 33.95 3gdn s ARG 210 CO 0.00 0.14 -0.19 0.08 0.02 0.00 0.00 175.30 175.35 3gdn s VAL 211 N 0.30 2.50 -0.18 3.52 1.01 -0.18 -1.15 120.40 126.23 3gdn s VAL 211 Ca -0.08 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 3gdn s VAL 211 Cb -0.13 -1.99 -0.00 0.00 0.00 0.00 0.00 36.38 34.26 3gdn s VAL 211 CO 0.03 0.55 -0.11 -0.83 0.00 0.00 0.00 175.10 174.73 3gdn s GLY 212 N 0.24 1.53 0.34 4.51 0.00 0.71 0.31 107.32 114.95 3gdn s GLY 212 Ca -0.13 -1.07 0.07 0.00 0.00 0.00 0.00 44.72 43.59 3gdn s GLY 212 CO 0.07 0.15 0.31 -1.34 0.00 0.00 0.00 173.10 172.29 3gdn s VAL 213 N 1.00 3.58 -1.50 1.40 -7.23 0.15 -0.21 120.40 117.60 3gdn s VAL 213 Ca -0.01 -1.33 -0.06 0.00 -1.81 0.00 0.00 61.98 58.77 3gdn s VAL 213 Cb -0.15 -3.21 0.02 0.00 0.56 0.00 0.00 36.38 33.60 3gdn s VAL 213 CO -0.02 -0.17 0.62 1.41 -0.31 0.00 0.00 175.10 176.63 3gdn n HIS 214 N -1.41 -1.99 -3.84 2.82 8.25 -0.15 -1.25 115.22 117.66 3gdn n HIS 214 Ca -0.02 0.54 -0.36 0.00 -0.26 0.00 0.00 57.72 57.63 3gdn n HIS 214 Cb 0.60 -4.23 -0.13 0.00 1.12 0.00 0.00 29.99 27.35 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 -3.14 2.98 -0.52 -1.41 0.00 0.35 -4.10 121.76 115.92 3gdn s ALA 215 Ca 0.34 -2.11 -0.21 0.00 0.00 0.00 0.00 51.96 49.98 3gdn s ALA 215 Cb -0.16 -2.17 0.05 0.00 0.00 0.00 0.00 23.12 20.84 3gdn s ALA 215 CO 0.42 -1.51 0.75 0.45 0.00 0.00 0.00 175.76 175.86 3gdn s SER 216 N 1.49 6.27 -0.28 0.00 0.15 -0.72 -2.13 113.70 118.48 3gdn s SER 216 Ca 0.01 -0.69 -0.29 0.00 0.70 0.00 0.00 55.95 55.68 3gdn s SER 216 Cb -0.21 -2.35 0.01 0.00 -1.71 0.00 0.00 66.02 61.76 3gdn s SER 216 CO -0.02 -1.02 1.13 -0.69 1.20 0.00 0.00 173.24 173.83 3gdn s VAL 217 N 3.14 4.46 -0.12 4.45 1.01 -1.26 -0.52 120.40 131.55 3gdn s VAL 217 Ca 0.21 1.72 0.20 0.00 0.00 0.00 0.00 61.98 64.10 3gdn s VAL 217 Cb -0.17 -4.30 -0.29 0.00 0.00 0.00 0.00 36.38 31.63 3gdn s VAL 217 CO 0.15 -0.36 0.26 -0.62 0.00 0.00 0.00 175.10 174.52 3gdn n GLU 218 N 6.77 0.68 -3.55 2.72 1.02 0.06 -4.94 120.64 123.40 3gdn n GLU 218 Ca 0.13 -0.09 -0.16 0.00 -0.02 0.00 0.00 57.16 57.01 3gdn n GLU 218 Cb 0.46 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 30.30 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 -2.95 0.96 -0.07 3.49 2.20 -1.17 -4.73 119.74 117.47 3gdn s LYS 219 Ca -0.09 0.38 -0.15 0.00 -0.36 0.00 0.00 55.97 55.75 3gdn s LYS 219 Cb 0.10 0.46 -0.05 0.00 -1.51 0.00 0.00 37.83 36.82 3gdn s LYS 219 CO 0.87 -0.27 0.39 0.42 -0.36 0.00 0.00 175.35 176.39 3gdn s ILE 220 N -0.88 5.15 -0.09 5.43 1.01 -1.26 -0.85 121.20 129.71 3gdn s ILE 220 Ca -0.08 0.78 -0.12 0.00 0.00 0.00 0.00 60.65 61.22 3gdn s ILE 220 Cb -0.01 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 3gdn s ILE 220 CO 0.07 0.48 0.30 -0.63 0.00 0.00 0.00 174.94 175.16 3gdn s ILE 221 N -0.35 5.25 0.34 2.92 1.01 0.46 -4.91 121.20 125.92 3gdn s ILE 221 Ca 0.22 0.57 0.06 0.00 0.00 0.00 0.00 60.65 61.50 3gdn s ILE 221 Cb -0.15 -3.60 -0.07 0.00 0.01 0.00 0.00 42.46 38.65 3gdn s ILE 221 CO 0.10 0.52 0.01 -0.36 0.00 0.00 0.00 174.94 175.21 3gdn s PHE 222 N -0.49 2.15 0.16 3.97 0.40 -1.26 -0.19 117.98 122.71 3gdn s PHE 222 Ca 0.19 -0.79 -0.25 0.00 -0.60 0.00 0.00 56.93 55.48 3gdn s PHE 222 Cb -0.14 -1.40 0.06 0.00 0.51 0.00 0.00 43.02 42.06 3gdn s PHE 222 CO 0.07 0.23 0.96 -1.54 0.70 0.00 0.00 175.22 175.65 3gdn s SER 223 N -3.55 -0.16 -0.51 1.36 1.04 -0.47 -4.84 113.70 106.57 3gdn s SER 223 Ca 0.34 -0.43 -0.01 0.00 0.48 0.00 0.00 55.95 56.33 3gdn s SER 223 Cb 0.08 0.49 0.13 0.00 0.10 0.00 0.00 66.02 66.82 3gdn s SER 223 CO 0.15 -0.92 0.30 0.20 0.98 0.00 0.00 173.24 173.95 3gdn s ASN 224 N -2.97 5.07 -0.50 7.02 0.01 -1.26 -0.31 114.94 122.00 3gdn s ASN 224 Ca 0.13 -2.53 0.08 0.00 -0.71 0.00 0.00 52.86 49.83 3gdn s ASN 224 Cb -0.01 -1.79 0.28 0.00 0.41 0.00 0.00 41.25 40.13 3gdn s ASN 224 CO 0.03 -0.41 0.70 0.00 -1.51 0.00 0.00 177.10 175.90 3gdn n ALA 225 N 3.89 3.25 0.04 0.60 0.00 -1.26 -4.50 120.51 122.52 3gdn n ALA 225 Ca 0.04 -4.05 0.07 0.00 0.00 0.00 0.00 53.44 49.50 3gdn n ALA 225 Cb 0.39 -0.85 -0.08 0.00 0.00 0.00 0.00 19.45 18.91 3gdn n ALA 225 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3gdn n PRO 226 N 0.78 0.63 -2.54 0.00 -0.04 -1.26 -5.03 135.00 127.54 3gdn n PRO 226 Ca 0.26 0.04 -0.23 0.00 -0.04 0.00 0.00 63.50 63.54 3gdn n PRO 226 Cb 0.49 -1.71 0.04 0.00 -0.04 0.00 0.00 33.50 32.28 3gdn n PRO 226 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3gdn s GLY 227 N -4.59 1.76 -0.05 0.55 0.00 -1.26 -4.99 107.32 98.74 3gdn s GLY 227 Ca -0.04 -1.17 -0.34 0.00 0.00 0.00 0.00 44.72 43.18 3gdn s GLY 227 CO 0.83 -0.86 1.88 -0.10 0.00 0.00 0.00 173.10 174.85 3gdn n LEU 228 N -2.49 3.55 -3.88 0.66 7.94 -1.26 -4.11 117.00 117.41 3gdn n LEU 228 Ca 0.07 0.97 -0.11 0.00 -1.11 0.00 0.00 56.01 55.83 3gdn n LEU 228 Cb 0.60 -1.40 -0.12 0.00 0.53 0.00 0.00 43.42 43.03 3gdn n LEU 228 CO 0.48 -0.02 -0.25 -0.89 -1.11 0.00 0.00 177.39 175.59 3gdn s THR 229 N 3.94 0.05 0.04 1.96 2.01 0.58 -1.23 115.64 122.98 3gdn s THR 229 Ca 0.91 -0.40 -0.29 0.00 0.31 0.00 0.00 61.69 62.22 3gdn s THR 229 Cb -0.65 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 3gdn s THR 229 CO 0.49 -0.22 0.93 0.00 -0.69 0.00 0.00 174.62 175.13 3gdn s ALA 230 N -0.70 3.23 -0.28 7.40 0.00 -0.37 -1.37 121.76 129.66 3gdn s ALA 230 Ca -0.08 0.49 0.06 0.00 0.00 0.00 0.00 51.96 52.44 3gdn s ALA 230 Cb -0.05 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.76 3gdn s ALA 230 CO 0.00 -0.10 0.26 0.25 0.00 0.00 0.00 175.76 176.16 3gdn n THR 231 N 3.32 0.00 -3.82 0.00 -2.24 0.73 -4.76 114.28 107.50 3gdn n THR 231 Ca 0.03 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3gdn n THR 231 Cb 0.50 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 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 -0.77 3.23 3.38 0.00 -1.21 -1.30 105.19 109.68 3gdn n GLY 232 Ca 0.01 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 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 0.11 -0.16 1.61 -7.23 -0.26 -0.40 120.40 111.07 3gdn s VAL 233 Ca 0.00 -1.53 -0.01 0.00 -1.81 0.00 0.00 61.98 58.62 3gdn s VAL 233 Cb 0.00 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 3gdn s VAL 233 CO 0.00 -0.49 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.56 3gdn s ILE 234 N -3.96 3.11 0.12 -0.62 1.01 -0.03 -1.87 121.20 118.96 3gdn s ILE 234 Ca 0.16 -0.62 0.06 0.00 0.00 0.00 0.00 60.65 60.24 3gdn s ILE 234 Cb 0.05 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 3gdn s ILE 234 CO -0.03 0.50 -0.14 -0.72 0.00 0.00 0.00 174.94 174.55 3gdn s TYR 235 N 0.70 1.37 0.02 3.97 -0.85 -0.69 -0.76 117.35 121.11 3gdn s TYR 235 Ca -0.05 -0.55 0.08 0.00 -0.52 0.00 0.00 57.07 56.03 3gdn s TYR 235 Cb -0.15 -0.72 -0.03 0.00 0.38 0.00 0.00 41.96 41.44 3gdn s TYR 235 CO 0.02 0.13 -0.25 0.50 -1.52 0.00 0.00 175.55 174.43 3gdn s ARG 236 N -2.61 1.96 0.62 -3.49 3.52 0.32 0.53 118.95 119.80 3gdn s ARG 236 Ca 0.08 -1.02 0.05 0.00 -0.13 0.00 0.00 55.73 54.71 3gdn s ARG 236 Cb -0.05 -2.03 0.10 0.00 -1.56 0.00 0.00 34.95 31.40 3gdn s ARG 236 CO 0.03 0.54 0.86 0.16 -0.81 0.00 0.00 175.30 176.07 3gdn s ASP 237 N -1.00 4.84 0.28 -2.12 1.47 -0.62 -1.76 116.67 117.76 3gdn s ASP 237 Ca 0.11 -0.57 0.19 0.00 1.18 0.00 0.00 52.55 53.46 3gdn s ASP 237 Cb -0.10 0.04 1.04 0.00 -0.34 0.00 0.00 42.92 43.56 3gdn s ASP 237 CO 0.01 -1.51 1.59 -1.54 0.68 0.00 0.00 175.17 174.41 3gdn n SER 238 N -2.46 0.50 -0.39 2.11 3.41 -1.26 -0.62 113.62 114.91 3gdn n SER 238 Ca 0.14 0.73 0.13 0.00 -0.26 0.00 0.00 58.87 59.61 3gdn n SER 238 Cb 0.61 -0.80 0.30 0.00 -0.26 0.00 0.00 64.21 64.06 3gdn n SER 238 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3gdn n ASN 239 N -2.17 1.46 0.00 4.04 3.02 -1.26 -4.92 115.26 115.42 3gdn n ASN 239 Ca -0.01 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 3gdn n ASN 239 Cb 0.04 0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 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 1.33 0.75 3.68 7.41 0.00 0.21 -5.03 105.19 113.54 3gdn n GLY 240 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.62 4.87 0.13 2.61 2.01 -1.26 -4.80 115.64 116.58 3gdn s THR 241 Ca 0.00 1.76 -0.23 0.00 0.31 0.00 0.00 61.69 63.53 3gdn s THR 241 Cb 0.00 -4.19 -0.07 0.00 0.01 0.00 0.00 72.50 68.24 3gdn s THR 241 CO 0.00 0.05 0.69 -2.16 -0.69 0.00 0.00 174.62 172.51 3gdn s PRO 242 N 1.89 4.41 0.38 4.92 0.04 -1.26 -1.59 135.00 143.79 3gdn s PRO 242 Ca 0.42 0.98 0.08 0.00 0.04 0.00 0.00 61.00 62.52 3gdn s PRO 242 Cb -0.17 -3.25 -0.07 0.00 0.04 0.00 0.00 34.50 31.05 3gdn s PRO 242 CO 0.16 0.60 -0.03 -1.01 0.04 0.00 0.00 177.00 176.76 3gdn s HIS 243 N -1.14 2.43 -0.02 0.56 3.76 0.19 -4.97 115.29 116.09 3gdn s HIS 243 Ca 0.33 -0.62 0.02 0.00 -0.15 0.00 0.00 55.06 54.64 3gdn s HIS 243 Cb -0.22 -1.59 0.00 0.00 1.11 0.00 0.00 32.58 31.89 3gdn s HIS 243 CO 0.23 0.47 -0.09 -0.65 -0.85 0.00 0.00 174.74 173.86 3gdn s GLN 244 N -3.68 0.92 -0.14 1.40 -0.21 0.43 -1.71 119.66 116.67 3gdn s GLN 244 Ca 0.34 -0.30 0.00 0.00 0.02 0.00 0.00 55.36 55.42 3gdn s GLN 244 Cb 0.07 -0.87 0.02 0.00 1.00 0.00 0.00 33.01 33.24 3gdn s GLN 244 CO 0.17 0.11 -0.12 0.00 -2.12 0.00 0.00 175.29 173.34 3gdn s ALA 245 N 0.17 1.70 0.25 6.09 0.00 -0.78 -1.26 121.76 127.92 3gdn s ALA 245 Ca -0.03 -0.81 0.08 0.00 0.00 0.00 0.00 51.96 51.20 3gdn s ALA 245 Cb -0.08 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 3gdn s ALA 245 CO 0.00 -0.42 0.10 -0.06 0.00 0.00 0.00 175.76 175.39 3gdn s PHE 246 N 1.55 2.94 0.02 0.00 0.40 0.06 -1.10 117.98 121.86 3gdn s PHE 246 Ca 0.05 -0.15 0.04 0.00 -0.60 0.00 0.00 56.93 56.27 3gdn s PHE 246 Cb -0.13 -1.33 -0.03 0.00 0.51 0.00 0.00 43.02 42.04 3gdn s PHE 246 CO -0.10 0.56 -0.07 0.14 0.70 0.00 0.00 175.22 176.45 3gdn s VAL 247 N -2.16 3.62 0.76 -0.44 -7.23 -0.42 -0.45 120.40 114.09 3gdn s VAL 247 Ca 0.32 -0.86 -0.02 0.00 -1.81 0.00 0.00 61.98 59.60 3gdn s VAL 247 Cb -0.07 -2.60 0.15 0.00 0.56 0.00 0.00 36.38 34.41 3gdn s VAL 247 CO 0.23 0.33 1.05 -0.13 -0.31 0.00 0.00 175.10 176.27 3gdn s ARG 248 N -1.59 1.48 0.10 4.82 0.52 0.53 -4.88 118.95 119.92 3gdn s ARG 248 Ca 0.18 -1.10 -0.35 0.00 -0.52 0.00 0.00 55.73 53.94 3gdn s ARG 248 Cb -0.11 -2.27 -0.18 0.00 0.52 0.00 0.00 34.95 32.91 3gdn s ARG 248 CO 0.09 -1.62 1.06 0.45 0.02 0.00 0.00 175.30 175.31 3gdn n SER 249 N -2.97 0.51 0.00 0.23 2.88 -1.26 -0.03 113.62 112.97 3gdn n SER 249 Ca 0.16 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 3gdn n SER 249 Cb 0.61 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.00 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 1.68 0.00 -1.93 -1.46 5.02 -1.26 -4.99 118.16 115.23 3gdn n LYS 250 Ca 0.18 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.18 3gdn n LYS 250 Cb 0.18 -2.90 0.09 0.00 -0.02 0.00 0.00 35.03 32.38 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 1.61 0.06 0.72 0.00 0.95 -5.07 107.32 103.60 3gdn s GLY 251 Ca 0.00 -0.71 -0.09 0.00 0.00 0.00 0.00 44.72 43.92 3gdn s GLY 251 CO 0.00 -0.21 0.20 -0.54 0.00 0.00 0.00 173.10 172.55 3gdn s GLU 252 N -5.58 0.76 -0.21 2.90 2.02 -0.78 -4.71 118.70 113.11 3gdn s GLU 252 Ca 0.63 -0.77 -0.09 0.00 0.02 0.00 0.00 54.97 54.76 3gdn s GLU 252 Cb -0.10 0.31 -0.05 0.00 0.10 0.00 0.00 34.13 34.39 3gdn s GLU 252 CO 0.49 -0.23 0.11 0.08 0.02 0.00 0.00 175.26 175.73 3gdn s VAL 253 N -3.12 5.12 -0.11 2.63 1.01 -0.02 -2.25 120.40 123.65 3gdn s VAL 253 Ca -0.01 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.08 3gdn s VAL 253 Cb 0.02 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 33.06 3gdn s VAL 253 CO -0.07 0.42 -0.18 -0.63 0.00 0.00 0.00 175.10 174.64 3gdn s ILE 254 N 0.62 1.71 -0.28 2.22 1.01 -0.32 -1.73 121.20 124.42 3gdn s ILE 254 Ca 0.06 -0.78 -0.15 0.00 0.00 0.00 0.00 60.65 59.78 3gdn s ILE 254 Cb -0.12 -1.53 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 3gdn s ILE 254 CO 0.01 0.48 0.37 -0.69 0.00 0.00 0.00 174.94 175.12 3gdn s VAL 255 N 0.84 5.17 -0.30 2.92 1.01 -0.11 -0.94 120.40 128.99 3gdn s VAL 255 Ca -0.09 0.51 0.15 0.00 0.00 0.00 0.00 61.98 62.55 3gdn s VAL 255 Cb -0.15 -3.72 0.48 0.00 0.00 0.00 0.00 36.38 32.98 3gdn s VAL 255 CO -0.00 0.12 1.12 -1.20 0.00 0.00 0.00 175.10 175.14 3gdn n SER 256 N 5.35 3.12 -0.17 3.32 7.64 0.11 -1.50 113.62 131.49 3gdn n SER 256 Ca -0.08 -2.91 0.07 0.00 1.01 0.00 0.00 58.87 56.96 3gdn n SER 256 Cb 0.51 -0.43 0.36 0.00 -1.01 0.00 0.00 64.21 63.64 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 -0.57 2.55 0.00 -0.43 0.00 -0.92 -4.42 120.51 116.72 3gdn n ALA 257 Ca 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3gdn n ALA 257 Cb 0.85 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 0.82 -0.32 0.37 0.00 0.00 -1.26 -2.68 105.19 102.12 3gdn n GLY 258 Ca 0.11 -1.74 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 0.72 0.05 2.61 2.02 -1.85 0.41 112.91 116.86 3gdn h THR 259 Ca 0.00 -0.23 -0.27 0.00 0.77 0.00 0.00 66.41 66.68 3gdn h THR 259 Cb 0.00 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.37 3gdn h THR 259 CO 0.00 0.12 -1.46 0.40 0.37 0.00 0.00 175.52 174.95 3gdn h ILE 260 N 0.68 0.86 -0.29 3.11 1.08 -1.88 -3.39 117.51 117.67 3gdn h ILE 260 Ca 0.54 -2.25 -0.12 0.00 -0.39 0.00 0.00 64.86 62.63 3gdn h ILE 260 Cb 0.94 2.37 -0.01 0.00 -3.07 0.00 0.00 36.82 37.05 3gdn h ILE 260 CO -0.30 0.52 -0.33 1.23 -0.69 0.00 0.00 178.15 178.58 3gdn h GLY 261 N -0.30 0.69 0.67 5.37 0.00 -1.29 -3.10 103.07 105.11 3gdn h GLY 261 Ca -0.36 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.32 3gdn h GLY 261 CO -0.10 0.58 -0.09 -0.84 0.00 0.00 0.00 176.54 176.10 3gdn h THR 262 N 0.54 0.93 -0.73 4.70 2.02 -0.98 -1.40 112.91 117.99 3gdn h THR 262 Ca 0.06 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.58 3gdn h THR 262 Cb 0.83 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 68.53 3gdn h THR 262 CO 0.07 0.15 0.47 -0.65 0.37 0.00 0.00 175.52 175.93 3gdn h PRO 263 N -0.57 0.97 -0.16 6.66 0.11 -1.76 -1.35 132.00 135.90 3gdn h PRO 263 Ca -0.02 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 66.03 3gdn h PRO 263 Cb 0.43 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 3gdn h PRO 263 CO 0.04 0.65 0.08 0.37 -0.21 0.00 0.00 178.00 178.93 3gdn h GLN 264 N 0.99 0.17 -0.71 1.05 4.15 -1.46 -0.96 115.11 118.35 3gdn h GLN 264 Ca 0.27 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.60 3gdn h GLN 264 Cb -0.09 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.53 3gdn h GLN 264 CO -0.06 0.11 0.16 1.25 -1.93 0.00 0.00 178.83 178.37 3gdn h LEU 265 N 0.18 1.08 -0.29 -2.39 5.85 -0.82 -1.19 115.31 117.72 3gdn h LEU 265 Ca 0.06 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 3gdn h LEU 265 Cb 0.01 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 3gdn h LEU 265 CO -0.04 1.04 0.16 -0.07 -0.34 0.00 0.00 178.44 179.19 3gdn h LEU 266 N 1.07 0.36 -0.18 2.25 3.38 -1.01 -0.81 115.31 120.37 3gdn h LEU 266 Ca 0.22 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3gdn h LEU 266 Cb 0.39 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3gdn h LEU 266 CO 0.00 0.33 0.11 -0.07 0.09 0.00 0.00 178.44 178.91 3gdn h LEU 267 N 0.35 0.21 -2.43 1.67 3.38 -1.01 0.41 115.31 117.90 3gdn h LEU 267 Ca 0.10 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3gdn h LEU 267 Cb 0.05 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3gdn h LEU 267 CO -0.02 0.18 -0.03 -0.07 0.09 0.00 0.00 178.44 178.59 3gdn h LEU 268 N 0.22 0.00 -1.50 1.67 3.38 -1.02 -1.26 115.31 116.80 3gdn h LEU 268 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3gdn h LEU 268 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3gdn h LEU 268 CO -0.01 0.03 0.00 -1.20 0.09 0.00 0.00 178.44 177.35 3gdn n SER 269 N -3.53 2.25 0.00 -0.43 7.64 -0.33 -4.93 113.62 114.29 3gdn n SER 269 Ca -0.02 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 58.04 3gdn n SER 269 Cb 0.13 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 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 1.25 0.62 3.14 0.23 0.00 -0.48 -4.62 105.19 105.33 3gdn n GLY 270 Ca 0.17 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 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 3.23 -2.44 1.61 1.01 0.06 -0.09 120.40 121.78 3gdn s VAL 271 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 61.98 60.13 3gdn s VAL 271 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.26 3gdn s VAL 271 CO 0.00 -0.52 0.00 0.61 0.00 0.00 0.00 175.10 175.19 3gdn n GLY 272 N 4.61 -1.09 3.68 4.51 0.00 -1.14 -3.33 105.19 112.43 3gdn n GLY 272 Ca -0.05 -0.96 -0.48 0.00 0.00 0.00 0.00 46.02 44.52 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 0.00 2.16 -0.00 1.61 -0.02 -0.91 -0.66 135.00 137.18 3gdn n PRO 273 Ca 0.00 0.79 -0.09 0.00 -2.02 0.00 0.00 63.50 62.18 3gdn n PRO 273 Cb 0.00 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 30.82 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 8.91 -0.22 -0.74 -0.52 4.81 -1.91 -0.20 114.58 124.72 3gdn h GLU 274 Ca -0.48 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3gdn h GLU 274 Cb 1.27 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.67 3gdn h GLU 274 CO 0.94 -0.15 0.44 0.66 -0.73 0.00 0.00 179.01 180.18 3gdn h SER 275 N -0.23 0.88 0.06 1.04 4.64 -1.99 -0.75 113.55 117.20 3gdn h SER 275 Ca 0.10 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3gdn h SER 275 Cb 0.37 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3gdn h SER 275 CO -0.26 0.68 -0.03 0.22 -0.87 0.00 0.00 176.83 176.57 3gdn h TYR 276 N 1.01 -0.07 -0.48 4.77 3.20 -1.80 -1.43 116.97 122.16 3gdn h TYR 276 Ca 0.26 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.15 3gdn h TYR 276 Cb -0.04 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 3gdn h TYR 276 CO 0.00 0.24 0.30 -0.07 -1.64 0.00 0.00 178.16 176.99 3gdn h LEU 277 N -0.39 0.49 -0.99 2.82 3.38 -0.86 -2.35 115.31 117.42 3gdn h LEU 277 Ca -0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3gdn h LEU 277 Cb 0.35 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3gdn h LEU 277 CO 0.01 0.35 0.59 0.28 0.09 0.00 0.00 178.44 179.77 3gdn h SER 278 N 0.60 1.13 -0.14 -0.43 0.02 -1.11 -0.15 113.55 113.47 3gdn h SER 278 Ca 0.19 -0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.12 3gdn h SER 278 Cb -0.01 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.23 3gdn h SER 278 CO -0.07 0.85 0.14 0.77 -1.14 0.00 0.00 176.83 177.38 3gdn h SER 279 N 1.31 0.00 -0.49 3.07 4.64 -0.71 0.22 113.55 121.59 3gdn h SER 279 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3gdn h SER 279 Cb -0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3gdn h SER 279 CO -0.07 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.07 3gdn n LEU 280 N -4.02 3.40 -1.82 5.97 4.77 -0.57 -4.96 117.00 119.78 3gdn n LEU 280 Ca 0.01 -1.81 -0.17 0.00 -0.03 0.00 0.00 56.01 54.00 3gdn n LEU 280 Cb 0.25 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 3gdn n LEU 280 CO 0.30 0.81 -0.21 0.59 -1.33 0.00 0.00 177.39 177.55 3gdn n ASN 281 N 1.21 -4.98 -4.61 -1.43 5.03 0.06 -4.97 115.26 105.56 3gdn n ASN 281 Ca 0.18 0.05 -0.40 0.00 0.87 0.00 0.00 54.58 55.29 3gdn n ASN 281 Cb 0.54 -4.06 -0.08 0.00 -1.02 0.00 0.00 39.78 35.16 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 -2.81 5.06 0.21 2.41 1.01 -0.17 -5.00 121.20 121.91 3gdn s ILE 282 Ca 0.00 0.86 -0.32 0.00 0.00 0.00 0.00 60.65 61.19 3gdn s ILE 282 Cb 0.00 -3.84 -0.14 0.00 0.01 0.00 0.00 42.46 38.49 3gdn s ILE 282 CO 0.00 0.06 1.41 -2.65 0.00 0.00 0.00 174.94 173.76 3gdn n PRO 283 N 5.57 1.94 -2.91 2.79 -0.02 -1.26 -4.15 135.00 136.96 3gdn n PRO 283 Ca -0.04 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 3gdn n PRO 283 Cb 0.50 -2.35 -0.05 0.00 -0.02 0.00 0.00 33.50 31.58 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 0.11 4.74 -0.09 -1.45 1.01 -1.26 -4.15 120.40 119.31 3gdn s VAL 284 Ca 0.71 1.14 -0.17 0.00 0.00 0.00 0.00 61.98 63.67 3gdn s VAL 284 Cb -0.68 -4.20 -0.28 0.00 0.00 0.00 0.00 36.38 31.21 3gdn s VAL 284 CO 0.48 -0.34 0.63 0.58 0.00 0.00 0.00 175.10 176.44 3gdn h VAL 285 N 5.67 1.12 -2.08 2.92 2.07 -0.76 -3.47 116.25 121.72 3gdn h VAL 285 Ca -0.24 -2.43 0.04 0.00 0.82 0.00 0.00 66.70 64.88 3gdn h VAL 285 Cb 1.09 2.81 -0.21 0.00 -1.52 0.00 0.00 31.29 33.45 3gdn h VAL 285 CO 0.91 0.71 -0.12 -0.22 0.02 0.00 0.00 177.57 178.87 3gdn s LEU 286 N -7.60 -1.00 -0.07 2.57 2.96 -1.03 -5.03 118.68 109.48 3gdn s LEU 286 Ca -0.18 1.47 -0.29 0.00 -0.22 0.00 0.00 54.13 54.90 3gdn s LEU 286 Cb 0.04 2.19 -0.06 0.00 0.50 0.00 0.00 46.19 48.86 3gdn s LEU 286 CO 0.78 -0.23 1.78 -0.55 -1.32 0.00 0.00 176.35 176.82 3gdn s SER 287 N 2.48 6.46 -0.40 3.68 0.15 -1.26 -2.89 113.70 121.92 3gdn s SER 287 Ca -0.07 2.22 0.01 0.00 0.70 0.00 0.00 55.95 58.81 3gdn s SER 287 Cb -0.10 -2.53 0.14 0.00 -1.71 0.00 0.00 66.02 61.82 3gdn s SER 287 CO -0.18 -1.10 0.24 -1.00 1.20 0.00 0.00 173.24 172.39 3gdn s HIS 288 N 4.71 1.26 0.59 3.44 3.76 0.16 -4.87 115.29 124.34 3gdn s HIS 288 Ca 0.79 -2.01 0.29 0.00 -0.15 0.00 0.00 55.06 53.98 3gdn s HIS 288 Cb -0.34 -1.30 1.46 0.00 1.11 0.00 0.00 32.58 33.51 3gdn s HIS 288 CO 0.33 -0.81 1.88 -1.00 -0.85 0.00 0.00 174.74 174.30 3gdn h PRO 289 N 6.76 0.00 -0.40 8.40 0.13 -1.92 -2.37 132.00 142.61 3gdn h PRO 289 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3gdn h PRO 289 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3gdn h PRO 289 CO 0.36 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.79 3gdn n TYR 290 N -3.71 0.52 -2.11 1.56 4.02 -1.26 -4.62 117.16 111.55 3gdn n TYR 290 Ca 0.09 -0.26 -0.42 0.00 -0.01 0.00 0.00 57.90 57.29 3gdn n TYR 290 Cb 0.70 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.99 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 -1.46 3.75 0.00 -0.72 1.01 -1.11 -1.69 120.40 120.18 3gdn s VAL 291 Ca 0.39 0.92 0.00 0.00 0.00 0.00 0.00 61.98 63.29 3gdn s VAL 291 Cb 0.23 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 33.01 3gdn s VAL 291 CO 0.32 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.95 3gdn n GLY 292 N 3.99 0.72 3.97 4.51 0.00 0.51 -4.73 105.19 114.16 3gdn n GLY 292 Ca 0.16 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 -0.56 3.39 -1.01 1.61 -1.52 -0.68 0.03 119.66 120.91 3gdn s GLN 293 Ca 0.00 -0.79 -0.02 0.00 -1.95 0.00 0.00 55.36 52.61 3gdn s GLN 293 Cb 0.00 -2.87 -0.02 0.00 -0.22 0.00 0.00 33.01 29.90 3gdn s GLN 293 CO 0.00 0.36 0.86 1.19 -0.25 0.00 0.00 175.29 177.45 3gdn n PHE 294 N -1.46 -2.00 -3.28 0.91 3.01 -1.08 -2.97 117.46 110.59 3gdn n PHE 294 Ca -0.07 0.80 -0.39 0.00 1.01 0.00 0.00 57.45 58.80 3gdn n PHE 294 Cb 0.57 -4.48 -0.07 0.00 -0.01 0.00 0.00 39.48 35.49 3gdn n PHE 294 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3gdn s LEU 295 N -5.61 4.09 -0.02 4.37 2.01 -0.15 -2.20 118.68 121.17 3gdn s LEU 295 Ca 0.12 0.54 0.06 0.00 0.01 0.00 0.00 54.13 54.87 3gdn s LEU 295 Cb -0.02 -2.63 -0.02 0.00 0.01 0.00 0.00 46.19 43.53 3gdn s LEU 295 CO 0.64 -0.22 -0.20 -1.00 1.01 0.00 0.00 176.35 176.58 3gdn s HIS 296 N 1.95 2.51 -0.18 0.29 3.76 -0.19 -0.25 115.29 123.18 3gdn s HIS 296 Ca 0.21 -0.30 -0.04 0.00 -0.15 0.00 0.00 55.06 54.78 3gdn s HIS 296 Cb -0.15 -1.54 0.06 0.00 1.11 0.00 0.00 32.58 32.06 3gdn s HIS 296 CO 0.09 0.10 0.06 0.34 -0.85 0.00 0.00 174.74 174.49 3gdn s ASP 297 N -0.82 2.61 0.18 1.40 2.15 -1.26 -0.84 116.67 120.09 3gdn s ASP 297 Ca 0.11 -0.71 -0.32 0.00 0.43 0.00 0.00 52.55 52.07 3gdn s ASP 297 Cb -0.10 -0.41 -0.11 0.00 -0.30 0.00 0.00 42.92 42.00 3gdn s ASP 297 CO 0.01 -0.33 1.73 0.20 -0.17 0.00 0.00 175.17 176.61 3gdn s ASN 298 N 2.01 6.42 0.47 -0.34 -0.87 -1.26 -4.83 114.94 116.53 3gdn s ASN 298 Ca 0.01 2.80 -0.21 0.00 -1.57 0.00 0.00 52.86 53.89 3gdn s ASN 298 Cb -0.17 -2.59 -0.09 0.00 -0.02 0.00 0.00 41.25 38.39 3gdn s ASN 298 CO -0.08 -0.96 1.03 -2.16 -2.57 0.00 0.00 177.10 172.36 3gdn s PRO 299 N 1.62 3.87 -0.14 -0.60 0.04 -1.26 -2.52 135.00 136.01 3gdn s PRO 299 Ca 0.76 1.36 0.02 0.00 0.04 0.00 0.00 61.00 63.17 3gdn s PRO 299 Cb -0.48 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 31.92 3gdn s PRO 299 CO 0.33 -0.37 -0.19 0.50 0.04 0.00 0.00 177.00 177.31 3gdn s ARG 300 N -3.16 3.12 0.14 4.56 3.52 0.41 -2.77 118.95 124.78 3gdn s ARG 300 Ca 0.66 -0.81 0.10 0.00 -0.13 0.00 0.00 55.73 55.55 3gdn s ARG 300 Cb -0.16 -2.51 -0.04 0.00 -1.56 0.00 0.00 34.95 30.68 3gdn s ARG 300 CO 0.20 0.03 -0.22 -0.80 -0.81 0.00 0.00 175.30 173.70 3gdn s ASN 301 N 0.73 2.92 0.32 -2.12 -0.87 -0.74 -0.98 114.94 114.21 3gdn s ASN 301 Ca -0.08 -0.78 -0.18 0.00 -1.57 0.00 0.00 52.86 50.26 3gdn s ASN 301 Cb -0.16 -0.18 0.03 0.00 -0.02 0.00 0.00 41.25 40.92 3gdn s ASN 301 CO 0.01 0.08 0.72 0.72 -2.57 0.00 0.00 177.10 176.06 3gdn s PHE 302 N -1.43 0.01 -0.03 2.20 -0.12 -1.26 -0.65 117.98 116.69 3gdn s PHE 302 Ca 0.13 -0.54 -0.00 0.00 -0.05 0.00 0.00 56.93 56.47 3gdn s PHE 302 Cb -0.09 0.70 0.03 0.00 -0.63 0.00 0.00 43.02 43.03 3gdn s PHE 302 CO 0.06 -1.35 0.02 0.42 -0.05 0.00 0.00 175.22 174.32 3gdn s ILE 303 N -3.27 0.07 -0.23 -4.49 -1.09 -0.56 -4.97 121.20 106.66 3gdn s ILE 303 Ca 0.14 0.17 -0.07 0.00 -2.23 0.00 0.00 60.65 58.66 3gdn s ILE 303 Cb -0.05 -0.21 -0.03 0.00 -1.58 0.00 0.00 42.46 40.59 3gdn s ILE 303 CO 0.09 0.14 0.07 0.20 -1.23 0.00 0.00 174.94 174.21 3gdn s ASN 304 N 1.23 5.27 0.03 3.58 0.01 -1.26 -0.91 114.94 122.89 3gdn s ASN 304 Ca -0.07 -0.14 0.04 0.00 -0.71 0.00 0.00 52.86 51.99 3gdn s ASN 304 Cb -0.13 -1.94 -0.03 0.00 0.41 0.00 0.00 41.25 39.56 3gdn s ASN 304 CO -0.02 0.01 -0.08 0.27 -1.51 0.00 0.00 177.10 175.77 3gdn s ILE 305 N 1.33 3.55 -0.58 0.60 -4.36 -0.38 -1.66 121.20 119.70 3gdn s ILE 305 Ca 0.05 -0.90 -0.01 0.00 -0.26 0.00 0.00 60.65 59.53 3gdn s ILE 305 Cb -0.15 -2.57 0.15 0.00 1.25 0.00 0.00 42.46 41.15 3gdn s ILE 305 CO 0.04 0.33 0.37 -0.76 0.24 0.00 0.00 174.94 175.16 3gdn s LEU 306 N -1.59 5.02 0.49 0.37 1.43 0.81 -1.66 118.68 123.55 3gdn s LEU 306 Ca 0.18 -2.81 -0.23 0.00 -1.03 0.00 0.00 54.13 50.23 3gdn s LEU 306 Cb -0.11 -1.80 -0.07 0.00 0.03 0.00 0.00 46.19 44.24 3gdn s LEU 306 CO 0.09 -0.35 1.33 -2.65 0.23 0.00 0.00 176.35 174.99 3gdn n PRO 307 N 3.50 1.84 0.26 1.29 -0.02 -1.26 -4.33 135.00 136.28 3gdn n PRO 307 Ca 0.06 0.67 0.14 0.00 -2.02 0.00 0.00 63.50 62.35 3gdn n PRO 307 Cb 0.37 -2.51 0.62 0.00 -0.02 0.00 0.00 33.50 31.96 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 1.76 0.00 -5.19 0.52 0.13 -1.83 -3.40 132.00 123.99 3gdn h PRO 308 Ca -0.50 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.97 3gdn h PRO 308 Cb 1.30 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.13 3gdn h PRO 308 CO 0.58 0.11 -0.80 -0.80 -0.23 0.00 0.00 178.00 176.87 3gdn s ASN 309 N -5.94 3.73 0.34 1.44 0.01 -1.26 -5.09 114.94 108.16 3gdn s ASN 309 Ca 0.00 -0.45 -0.26 0.00 -0.71 0.00 0.00 52.86 51.44 3gdn s ASN 309 Cb 0.10 -1.58 -0.13 0.00 0.41 0.00 0.00 41.25 40.05 3gdn s ASN 309 CO 0.58 0.09 0.89 -2.65 -1.51 0.00 0.00 177.10 174.50 3gdn n PRO 310 N 4.06 1.11 -4.43 -0.60 -0.02 -1.26 -5.02 135.00 128.83 3gdn n PRO 310 Ca -0.19 0.39 -0.25 0.00 -2.02 0.00 0.00 63.50 61.43 3gdn n PRO 310 Cb 0.52 -1.76 -0.10 0.00 -0.02 0.00 0.00 33.50 32.13 3gdn n PRO 310 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3gdn s ILE 311 N -1.18 2.53 0.21 4.25 -4.36 -1.26 -5.11 121.20 116.28 3gdn s ILE 311 Ca 0.61 -2.19 -0.12 0.00 -0.26 0.00 0.00 60.65 58.69 3gdn s ILE 311 Cb -0.67 -2.28 -0.07 0.00 1.25 0.00 0.00 42.46 40.69 3gdn s ILE 311 CO 0.59 -0.27 0.57 -1.83 0.24 0.00 0.00 174.94 174.24 3gdn s GLU 312 N -3.16 3.89 0.50 0.37 1.03 -1.26 -4.86 118.70 115.22 3gdn s GLU 312 Ca 0.26 0.40 -0.22 0.00 0.03 0.00 0.00 54.97 55.44 3gdn s GLU 312 Cb -0.06 -2.71 -0.06 0.00 -0.80 0.00 0.00 34.13 30.49 3gdn s GLU 312 CO 0.13 0.35 1.20 -1.25 -1.33 0.00 0.00 175.26 174.36 3gdn s PRO 313 N -2.56 3.51 0.12 -4.83 0.04 -1.26 -4.65 135.00 125.38 3gdn s PRO 313 Ca 0.45 1.84 -0.06 0.00 0.04 0.00 0.00 61.00 63.27 3gdn s PRO 313 Cb -0.12 -2.28 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 3gdn s PRO 313 CO 0.20 -0.78 0.17 0.95 0.04 0.00 0.00 177.00 177.58 3gdn s THR 314 N -1.53 0.12 -0.01 1.26 -4.23 -0.96 -4.97 115.64 105.31 3gdn s THR 314 Ca 0.68 -1.50 -0.09 0.00 -1.18 0.00 0.00 61.69 59.60 3gdn s THR 314 Cb -0.30 -1.70 -0.05 0.00 1.34 0.00 0.00 72.50 71.79 3gdn s THR 314 CO 0.36 -0.53 0.30 0.27 -0.54 0.00 0.00 174.62 174.48 3gdn s ILE 315 N -3.95 5.24 0.05 2.99 -4.36 -1.26 -4.37 121.20 115.54 3gdn s ILE 315 Ca 0.14 0.40 -0.31 0.00 -0.26 0.00 0.00 60.65 60.62 3gdn s ILE 315 Cb 0.05 -3.58 -0.07 0.00 1.25 0.00 0.00 42.46 40.11 3gdn s ILE 315 CO -0.04 0.47 1.51 -0.69 0.24 0.00 0.00 174.94 176.43 3gdn s VAL 316 N -1.20 3.34 0.00 8.37 1.01 -1.26 -4.80 120.40 125.87 3gdn s VAL 316 Ca 0.25 0.80 0.00 0.00 0.00 0.00 0.00 61.98 63.02 3gdn s VAL 316 Cb -0.14 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3gdn s VAL 316 CO 0.13 0.01 0.00 0.35 0.00 0.00 0.00 175.10 175.59 3gdn n THR 317 N 4.59 0.00 -3.18 3.92 -2.24 -1.26 -4.62 114.28 111.49 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 0.42 -0.15 -0.07 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.08 5.04 -0.08 2.28 1.01 -1.26 -0.76 120.40 125.54 3gdn s VAL 318 Ca 0.00 1.00 0.03 0.00 0.00 0.00 0.00 61.98 63.01 3gdn s VAL 318 Cb 0.00 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 3gdn s VAL 318 CO 0.00 0.07 -0.17 -0.76 0.00 0.00 0.00 175.10 174.24 3gdn s LEU 319 N 2.32 2.52 -0.43 3.92 1.43 -0.16 -4.44 118.68 123.84 3gdn s LEU 319 Ca 0.24 -0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 52.93 3gdn s LEU 319 Cb -0.16 -1.52 0.11 0.00 0.03 0.00 0.00 46.19 44.66 3gdn s LEU 319 CO 0.09 0.25 0.26 -0.83 0.23 0.00 0.00 176.35 176.34 3gdn s GLY 320 N -0.15 2.00 -0.23 -3.19 0.00 -0.04 -1.88 107.32 103.83 3gdn s GLY 320 Ca -0.02 -2.49 -0.12 0.00 0.00 0.00 0.00 44.72 42.09 3gdn s GLY 320 CO 0.04 1.05 0.23 -0.42 0.00 0.00 0.00 173.10 173.99 3gdn s ILE 321 N 1.25 5.31 0.34 0.90 -1.09 0.30 -0.87 121.20 127.35 3gdn s ILE 321 Ca 0.06 0.34 0.10 0.00 -2.23 0.00 0.00 60.65 58.92 3gdn s ILE 321 Cb -0.24 -3.57 -0.06 0.00 -1.58 0.00 0.00 42.46 37.01 3gdn s ILE 321 CO -0.02 0.32 -0.08 -0.44 -1.23 0.00 0.00 174.94 173.49 3gdn s SER 322 N 1.01 3.82 0.34 3.58 0.01 -0.50 -0.52 113.70 121.43 3gdn s SER 322 Ca 0.11 -1.15 0.05 0.00 1.31 0.00 0.00 55.95 56.27 3gdn s SER 322 Cb -0.14 -0.39 0.60 0.00 0.21 0.00 0.00 66.02 66.31 3gdn s SER 322 CO 0.05 -0.20 1.86 0.78 0.41 0.00 0.00 173.24 176.15 3gdn h ASN 323 N 1.99 0.45 -0.01 2.44 2.35 -1.98 -3.25 115.58 117.58 3gdn h ASN 323 Ca -0.42 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.24 3gdn h ASN 323 Cb 1.25 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.50 3gdn h ASN 323 CO 0.69 0.56 -0.70 0.47 -1.65 0.00 0.00 177.43 176.80 3gdn n ASP 324 N -4.26 1.25 -3.52 5.81 8.00 -1.26 -4.83 116.55 117.74 3gdn n ASP 324 Ca 0.01 -1.12 -0.18 0.00 0.71 0.00 0.00 54.79 54.21 3gdn n ASP 324 Cb 0.27 0.80 -0.06 0.00 -0.02 0.00 0.00 41.12 42.11 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 -2.55 -0.64 -0.05 1.24 -0.12 -1.23 -1.28 117.98 113.35 3gdn s PHE 325 Ca 0.10 1.06 0.06 0.00 -0.05 0.00 0.00 56.93 58.11 3gdn s PHE 325 Cb 0.15 0.41 -0.01 0.00 -0.63 0.00 0.00 43.02 42.94 3gdn s PHE 325 CO 0.66 -0.62 -0.24 0.71 -0.05 0.00 0.00 175.22 175.68 3gdn s TYR 326 N -1.34 2.33 0.19 3.49 4.12 0.56 -1.41 117.35 125.28 3gdn s TYR 326 Ca -0.10 -0.66 0.05 0.00 0.02 0.00 0.00 57.07 56.38 3gdn s TYR 326 Cb -0.00 -1.53 -0.05 0.00 -1.52 0.00 0.00 41.96 38.87 3gdn s TYR 326 CO 0.09 -0.19 -0.08 -0.65 0.02 0.00 0.00 175.55 174.74 3gdn s GLN 327 N -0.20 1.21 0.17 -0.62 -0.21 -0.05 -0.17 119.66 119.80 3gdn s GLN 327 Ca -0.02 -1.56 -0.23 0.00 0.02 0.00 0.00 55.36 53.57 3gdn s GLN 327 Cb -0.13 -0.73 0.07 0.00 1.00 0.00 0.00 33.01 33.23 3gdn s GLN 327 CO 0.03 0.04 1.02 0.00 -2.12 0.00 0.00 175.29 174.26 3gdn s SER 329 N -3.26 0.51 -0.20 0.00 0.15 -1.26 -1.25 113.70 108.39 3gdn s SER 329 Ca 0.19 -0.05 -0.03 0.00 0.70 0.00 0.00 55.95 56.76 3gdn s SER 329 Cb -0.02 -0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 64.03 3gdn s SER 329 CO 0.04 -0.08 -0.07 0.12 1.20 0.00 0.00 173.24 174.45 3gdn s PHE 330 N 0.91 2.93 -0.08 3.44 5.36 -0.37 -4.73 117.98 125.43 3gdn s PHE 330 Ca -0.10 -0.89 -0.04 0.00 -0.96 0.00 0.00 56.93 54.94 3gdn s PHE 330 Cb -0.13 -2.04 -0.04 0.00 -0.34 0.00 0.00 43.02 40.47 3gdn s PHE 330 CO -0.01 -0.47 0.09 -1.54 -1.46 0.00 0.00 175.22 171.83 3gdn s SER 331 N 1.19 5.92 0.21 6.13 1.04 -1.26 0.20 113.70 127.13 3gdn s SER 331 Ca 0.02 0.31 -0.12 0.00 0.48 0.00 0.00 55.95 56.64 3gdn s SER 331 Cb -0.14 -1.81 0.00 0.00 0.10 0.00 0.00 66.02 64.16 3gdn s SER 331 CO -0.02 0.37 0.42 -0.55 0.98 0.00 0.00 173.24 174.44 3gdn s SER 332 N -1.16 -0.08 0.67 7.02 0.15 -0.40 -2.26 113.70 117.63 3gdn s SER 332 Ca 0.17 -0.83 -0.11 0.00 0.70 0.00 0.00 55.95 55.88 3gdn s SER 332 Cb -0.12 0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 64.72 3gdn s SER 332 CO 0.06 -1.04 1.06 -0.76 1.20 0.00 0.00 173.24 173.76 3gdn s LEU 333 N -2.98 3.05 0.65 3.45 1.43 -1.26 -1.99 118.68 121.02 3gdn s LEU 333 Ca 0.18 1.21 -0.14 0.00 -1.03 0.00 0.00 54.13 54.35 3gdn s LEU 333 Cb 0.01 -4.09 -0.01 0.00 0.03 0.00 0.00 46.19 42.12 3gdn s LEU 333 CO 0.04 -1.15 1.07 -2.16 0.23 0.00 0.00 176.35 174.38 3gdn s PRO 334 N -5.27 3.06 0.16 1.29 0.04 -1.24 -4.79 135.00 128.26 3gdn s PRO 334 Ca 0.57 1.14 0.05 0.00 0.04 0.00 0.00 61.00 62.80 3gdn s PRO 334 Cb -0.11 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3gdn s PRO 334 CO 0.52 -1.01 -0.12 -0.59 0.04 0.00 0.00 177.00 175.84 3gdn s PHE 335 N -2.66 1.38 0.00 0.56 -0.12 -0.73 -4.97 117.98 111.43 3gdn s PHE 335 Ca 0.62 -0.69 0.00 0.00 -0.05 0.00 0.00 56.93 56.81 3gdn s PHE 335 Cb -0.16 -0.69 0.00 0.00 -0.63 0.00 0.00 43.02 41.55 3gdn s PHE 335 CO 0.45 0.15 0.00 -2.37 -0.05 0.00 0.00 175.22 173.40 3gdn n THR 336 N -0.16 0.00 -4.25 -4.49 5.66 -1.26 -4.10 114.28 105.67 3gdn n THR 336 Ca -0.10 -0.35 -0.34 0.00 -3.05 0.00 0.00 64.05 60.21 3gdn n THR 336 Cb 0.60 0.92 -0.15 0.00 -1.55 0.00 0.00 70.33 70.15 3gdn n THR 336 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3gdn s THR 337 N -0.92 2.76 0.15 1.09 2.01 -1.26 -5.07 115.64 114.40 3gdn s THR 337 Ca 0.00 -0.72 -0.31 0.00 0.31 0.00 0.00 61.69 60.98 3gdn s THR 337 Cb 0.00 -2.20 -0.08 0.00 0.01 0.00 0.00 72.50 70.23 3gdn s THR 337 CO 0.00 0.49 1.33 -2.16 -0.69 0.00 0.00 174.62 173.59 3gdn s PRO 338 N 1.10 4.37 -0.39 4.92 0.04 -1.26 -4.92 135.00 138.86 3gdn s PRO 338 Ca 0.00 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.78 3gdn s PRO 338 Cb -0.14 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.18 3gdn s PRO 338 CO -0.04 -0.32 1.13 -2.14 0.04 0.00 0.00 177.00 175.67 3gdn s PRO 339 N 0.51 3.88 0.22 0.56 0.02 -1.26 -4.38 135.00 134.56 3gdn s PRO 339 Ca 0.60 0.86 -0.32 0.00 0.02 0.00 0.00 61.00 62.16 3gdn s PRO 339 Cb -0.36 -3.83 -0.13 0.00 0.02 0.00 0.00 34.50 30.20 3gdn s PRO 339 CO 0.34 -1.16 1.53 0.34 -0.33 0.00 0.00 177.00 177.72 3gdn n PHE 340 N 7.43 2.41 0.00 6.54 7.35 -0.24 -1.73 117.46 139.22 3gdn n PHE 340 Ca 0.12 0.30 0.00 0.00 -0.76 0.00 0.00 57.45 57.12 3gdn n PHE 340 Cb 0.48 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.77 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 2.73 3.19 0.12 7.13 0.00 -1.26 -4.82 105.19 112.29 3gdn n GLY 341 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.19 -3.04 1.61 3.57 -1.68 -3.42 116.94 113.78 3gdn h PHE 342 Ca 0.00 -0.00 -0.62 0.00 3.53 0.00 0.00 57.97 60.87 3gdn h PHE 342 Cb 0.00 0.06 -0.08 0.00 2.79 0.00 0.00 35.95 38.73 3gdn h PHE 342 CO 0.00 0.09 -0.57 -0.06 -2.23 0.00 0.00 178.31 175.54 3gdn s PHE 343 N -5.07 3.25 0.60 0.41 2.99 -1.26 -4.93 117.98 113.97 3gdn s PHE 343 Ca -0.15 0.09 0.30 0.00 0.00 0.00 0.00 56.93 57.18 3gdn s PHE 343 Cb 0.03 -1.63 1.78 0.00 0.00 0.00 0.00 43.02 43.20 3gdn s PHE 343 CO 0.62 0.53 2.18 -1.00 -0.00 0.00 0.00 175.22 177.55 3gdn h PRO 344 N 3.08 0.00 -4.34 0.24 0.13 -1.83 -3.44 132.00 125.84 3gdn h PRO 344 Ca -0.47 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.52 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 0.67 0.00 -0.68 -1.54 -0.23 0.00 0.00 178.00 176.22 3gdn s SER 345 N -5.86 0.61 0.29 1.44 1.04 -1.26 -1.73 113.70 108.23 3gdn s SER 345 Ca -0.05 -1.02 0.25 0.00 0.48 0.00 0.00 55.95 55.61 3gdn s SER 345 Cb 0.15 0.19 1.01 0.00 0.10 0.00 0.00 66.02 67.47 3gdn s SER 345 CO 0.53 -0.58 1.75 0.77 0.98 0.00 0.00 173.24 176.69 3gdn h SER 346 N 3.09 0.00 -3.29 7.02 4.64 -1.99 -3.31 113.55 119.71 3gdn h SER 346 Ca -0.34 0.00 -0.78 0.00 -0.47 0.00 0.00 61.79 60.19 3gdn h SER 346 Cb 1.15 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.95 3gdn h SER 346 CO 0.65 0.00 0.45 -1.54 -0.87 0.00 0.00 176.83 175.52 3gdn n SER 347 N -2.35 5.56 -3.95 4.97 3.41 -1.26 -4.95 113.62 115.05 3gdn n SER 347 Ca 0.02 -3.18 -0.17 0.00 -0.26 0.00 0.00 58.87 55.29 3gdn n SER 347 Cb 0.26 -1.28 -0.15 0.00 -0.26 0.00 0.00 64.21 62.78 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 -1.79 0.52 0.35 7.33 5.04 -1.25 -5.10 117.35 122.45 3gdn s TYR 348 Ca 0.31 -0.10 -0.29 0.00 -2.44 0.00 0.00 57.07 54.55 3gdn s TYR 348 Cb -0.04 -0.37 -0.11 0.00 0.35 0.00 0.00 41.96 41.79 3gdn s TYR 348 CO -0.03 -0.04 1.50 -1.25 -1.34 0.00 0.00 175.55 174.40 3gdn s PRO 349 N 0.06 4.13 -0.02 4.97 0.04 -1.26 -4.99 135.00 137.92 3gdn s PRO 349 Ca -0.00 2.55 -0.08 0.00 0.04 0.00 0.00 61.00 63.51 3gdn s PRO 349 Cb -0.04 -2.99 -0.05 0.00 0.04 0.00 0.00 34.50 31.46 3gdn s PRO 349 CO -0.00 -0.54 0.26 -0.51 0.04 0.00 0.00 177.00 176.25 3gdn s LEU 350 N -1.70 4.39 0.01 -3.56 1.02 -1.26 -4.89 118.68 112.69 3gdn s LEU 350 Ca 0.55 0.60 -0.30 0.00 0.02 0.00 0.00 54.13 55.00 3gdn s LEU 350 Cb -0.46 -2.54 -0.04 0.00 0.02 0.00 0.00 46.19 43.17 3gdn s LEU 350 CO 0.59 0.30 1.07 -2.16 0.02 0.00 0.00 176.35 176.16 3gdn s PRO 351 N -1.51 4.50 -0.01 1.29 0.04 -1.26 -4.93 135.00 133.11 3gdn s PRO 351 Ca 0.24 1.55 0.21 0.00 0.04 0.00 0.00 61.00 63.04 3gdn s PRO 351 Cb -0.13 -3.43 0.62 0.00 0.04 0.00 0.00 34.50 31.59 3gdn s PRO 351 CO 0.13 -0.15 1.52 0.27 0.04 0.00 0.00 177.00 178.81 3gdn n ASN 352 N 4.02 3.93 -3.68 6.66 0.23 -1.26 -1.77 115.26 123.38 3gdn n ASN 352 Ca 0.07 -2.05 -0.13 0.00 -0.53 0.00 0.00 54.58 51.94 3gdn n ASN 352 Cb 0.49 -0.47 -0.06 0.00 -2.08 0.00 0.00 39.78 37.66 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 -1.00 0.50 0.53 0.53 1.04 -1.26 -4.89 113.70 109.15 3gdn s SER 353 Ca 0.46 -1.31 -0.21 0.00 0.48 0.00 0.00 55.95 55.37 3gdn s SER 353 Cb 0.25 0.57 -0.05 0.00 0.10 0.00 0.00 66.02 66.89 3gdn s SER 353 CO 0.30 -1.14 1.23 0.42 0.98 0.00 0.00 173.24 175.03 3gdn s THR 354 N -3.60 2.66 0.16 2.02 -4.23 -1.26 -3.62 115.64 107.77 3gdn s THR 354 Ca 0.30 0.46 -0.08 0.00 -1.18 0.00 0.00 61.69 61.20 3gdn s THR 354 Cb 0.01 -3.22 -0.01 0.00 1.34 0.00 0.00 72.50 70.62 3gdn s THR 354 CO 0.16 -0.04 0.26 0.72 -0.54 0.00 0.00 174.62 175.17 3gdn s PHE 355 N -1.51 0.45 -0.07 3.99 -0.12 -0.84 -4.26 117.98 115.61 3gdn s PHE 355 Ca 0.71 -0.82 0.05 0.00 -0.05 0.00 0.00 56.93 56.82 3gdn s PHE 355 Cb -0.32 -0.11 -0.00 0.00 -0.63 0.00 0.00 43.02 41.96 3gdn s PHE 355 CO 0.37 -0.70 -0.22 0.00 -0.05 0.00 0.00 175.22 174.62 3gdn s ALA 356 N -3.98 2.00 -0.42 1.99 0.00 -0.67 -1.28 121.76 119.40 3gdn s ALA 356 Ca 0.18 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 51.16 3gdn s ALA 356 Cb 0.04 -0.69 0.10 0.00 0.00 0.00 0.00 23.12 22.56 3gdn s ALA 356 CO 0.00 0.32 0.25 -1.58 0.00 0.00 0.00 175.76 174.76 3gdn s HIS 357 N 0.13 3.43 -0.37 0.00 2.46 0.13 -1.25 115.29 119.82 3gdn s HIS 357 Ca -0.11 -1.91 -0.24 0.00 0.47 0.00 0.00 55.06 53.28 3gdn s HIS 357 Cb -0.15 -3.14 0.01 0.00 -0.13 0.00 0.00 32.58 29.17 3gdn s HIS 357 CO 0.06 -0.93 0.80 -0.06 -2.47 0.00 0.00 174.74 172.14 3gdn s PHE 358 N 1.31 3.09 0.04 3.88 0.40 -0.08 -1.24 117.98 125.38 3gdn s PHE 358 Ca 0.05 0.54 0.03 0.00 -0.60 0.00 0.00 56.93 56.95 3gdn s PHE 358 Cb -0.24 -3.47 -0.04 0.00 0.51 0.00 0.00 43.02 39.79 3gdn s PHE 358 CO -0.01 -0.78 0.00 0.00 0.70 0.00 0.00 175.22 175.14 3gdn s ALA 359 N 3.18 3.29 -0.08 5.36 0.00 -0.38 -1.50 121.76 131.63 3gdn s ALA 359 Ca 0.32 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 3gdn s ALA 359 Cb -0.13 -1.28 0.03 0.00 0.00 0.00 0.00 23.12 21.74 3gdn s ALA 359 CO 0.18 0.67 -0.02 0.45 0.00 0.00 0.00 175.76 177.05 3gdn s SER 360 N -1.89 1.62 -0.21 0.00 0.15 0.17 -2.28 113.70 111.26 3gdn s SER 360 Ca 0.22 -0.13 -0.07 0.00 0.70 0.00 0.00 55.95 56.68 3gdn s SER 360 Cb -0.12 -0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 63.65 3gdn s SER 360 CO 0.14 -0.17 0.06 -0.75 1.20 0.00 0.00 173.24 173.72 3gdn s LYS 361 N 1.82 3.82 0.14 5.44 2.20 0.76 -1.79 119.74 132.13 3gdn s LYS 361 Ca 0.03 -0.41 -0.30 0.00 -0.36 0.00 0.00 55.97 54.93 3gdn s LYS 361 Cb -0.12 -3.24 -0.07 0.00 -1.51 0.00 0.00 37.83 32.89 3gdn s LYS 361 CO -0.05 0.08 1.02 0.08 -0.36 0.00 0.00 175.35 176.11 3gdn s VAL 362 N 0.89 4.25 0.78 4.02 1.01 -1.11 -0.32 120.40 129.92 3gdn s VAL 362 Ca 0.03 1.90 -0.13 0.00 0.00 0.00 0.00 61.98 63.78 3gdn s VAL 362 Cb -0.14 -4.21 0.07 0.00 0.00 0.00 0.00 36.38 32.10 3gdn s VAL 362 CO 0.03 0.30 1.18 0.00 0.00 0.00 0.00 175.10 176.61 3gdn s ALA 363 N -0.09 1.96 0.00 5.51 0.00 -0.40 -4.49 121.76 124.24 3gdn s ALA 363 Ca 0.48 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.18 3gdn s ALA 363 Cb -0.26 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3gdn s ALA 363 CO 0.32 -2.10 0.00 0.41 0.00 0.00 0.00 175.76 174.39 3gdn n GLY 364 N 0.18 1.02 3.93 0.00 0.00 -1.26 -4.38 105.19 104.69 3gdn n GLY 364 Ca 0.13 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 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 3.13 0.21 1.61 0.04 -1.26 -0.93 135.00 137.80 3gdn s PRO 365 Ca 0.00 -0.22 0.10 0.00 0.04 0.00 0.00 61.00 60.92 3gdn s PRO 365 Cb 0.00 -2.45 0.07 0.00 0.04 0.00 0.00 34.50 32.16 3gdn s PRO 365 CO 0.00 -0.35 1.44 -0.07 0.04 0.00 0.00 177.00 178.05 3gdn h LEU 366 N 0.23 0.00 -9.98 -3.56 3.38 -1.94 -3.45 115.31 99.99 3gdn h LEU 366 Ca -0.46 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.01 3gdn h LEU 366 Cb 1.24 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.03 3gdn h LEU 366 CO 0.59 0.76 0.45 -0.44 0.09 0.00 0.00 178.44 179.90 3gdn s SER 367 N -6.68 6.48 0.19 -0.43 0.01 -1.26 -4.93 113.70 107.08 3gdn s SER 367 Ca 0.01 2.19 -0.17 0.00 1.31 0.00 0.00 55.95 59.29 3gdn s SER 367 Cb 0.10 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.76 3gdn s SER 367 CO 0.78 -0.69 0.49 -0.72 0.41 0.00 0.00 173.24 173.51 3gdn s TYR 368 N -1.58 -0.08 0.00 2.43 -0.85 -1.22 -4.55 117.35 111.50 3gdn s TYR 368 Ca 0.60 -0.27 0.00 0.00 -0.52 0.00 0.00 57.07 56.89 3gdn s TYR 368 Cb -0.26 0.34 0.00 0.00 0.38 0.00 0.00 41.96 42.42 3gdn s TYR 368 CO 0.32 -0.88 0.00 0.41 -1.52 0.00 0.00 175.55 173.88 3gdn n GLY 369 N -0.32 5.41 3.29 5.49 0.00 0.66 -4.51 105.19 115.20 3gdn n GLY 369 Ca -0.10 -1.23 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 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 0.12 -0.09 1.61 1.04 -0.93 -0.98 113.70 115.47 3gdn s SER 370 Ca 0.00 -1.17 0.02 0.00 0.48 0.00 0.00 55.95 55.29 3gdn s SER 370 Cb 0.00 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.51 3gdn s SER 370 CO 0.00 -0.88 -0.16 -0.22 0.98 0.00 0.00 173.24 172.96 3gdn s LEU 371 N -3.07 2.60 0.09 2.42 0.20 0.10 -2.22 118.68 118.81 3gdn s LEU 371 Ca 0.29 -0.31 0.03 0.00 0.69 0.00 0.00 54.13 54.82 3gdn s LEU 371 Cb 0.05 -1.55 -0.04 0.00 -0.43 0.00 0.00 46.19 44.23 3gdn s LEU 371 CO 0.07 0.25 -0.09 0.42 -0.29 0.00 0.00 176.35 176.70 3gdn s THR 372 N -0.14 0.86 0.46 3.68 -4.23 -0.23 -4.73 115.64 111.32 3gdn s THR 372 Ca -0.02 -1.65 -0.21 0.00 -1.18 0.00 0.00 61.69 58.63 3gdn s THR 372 Cb -0.14 -1.36 -0.09 0.00 1.34 0.00 0.00 72.50 72.26 3gdn s THR 372 CO 0.04 -0.60 1.04 -0.76 -0.54 0.00 0.00 174.62 173.79 3gdn s LEU 373 N -2.49 3.92 -0.02 4.79 1.43 -1.26 0.08 118.68 125.14 3gdn s LEU 373 Ca 0.05 1.94 0.16 0.00 -1.03 0.00 0.00 54.13 55.25 3gdn s LEU 373 Cb -0.02 -4.47 -0.24 0.00 0.03 0.00 0.00 46.19 41.49 3gdn s LEU 373 CO -0.01 -0.68 0.35 0.29 0.23 0.00 0.00 176.35 176.53 3gdn n LYS 374 N -0.73 0.51 -3.86 1.70 4.76 -1.26 -4.68 118.16 114.61 3gdn n LYS 374 Ca 0.08 -0.14 -0.15 0.00 -2.87 0.00 0.00 58.31 55.23 3gdn n LYS 374 Cb 0.52 -1.37 -0.16 0.00 -1.84 0.00 0.00 35.03 32.18 3gdn n LYS 374 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3gdn s SER 375 N -3.79 0.18 0.00 4.39 0.15 -1.26 -5.02 113.70 108.35 3gdn s SER 375 Ca -0.06 0.01 0.30 0.00 0.70 0.00 0.00 55.95 56.90 3gdn s SER 375 Cb 0.10 -0.10 1.56 0.00 -1.71 0.00 0.00 66.02 65.87 3gdn s SER 375 CO 0.65 -0.09 2.03 -1.54 1.20 0.00 0.00 173.24 175.50 3gdn n SER 376 N 3.90 0.56 0.00 5.45 3.41 -1.26 -4.30 113.62 121.38 3gdn n SER 376 Ca -0.24 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.17 3gdn n SER 376 Cb 0.52 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 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 -0.56 0.15 -4.46 4.04 3.41 -1.26 -4.94 113.62 110.00 3gdn n SER 377 Ca 0.22 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.40 3gdn n SER 377 Cb 0.20 0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 64.08 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 -0.59 6.13 0.17 4.04 3.84 -1.26 -4.93 114.94 122.34 3gdn s ASN 378 Ca 0.00 -0.91 0.20 0.00 0.21 0.00 0.00 52.86 52.37 3gdn s ASN 378 Cb 0.00 -2.18 0.85 0.00 -0.55 0.00 0.00 41.25 39.37 3gdn s ASN 378 CO 0.00 -0.51 1.62 0.55 -2.79 0.00 0.00 177.10 175.97 3gdn n VAL 379 N 5.23 0.91 1.42 -5.21 3.14 -1.26 -2.27 118.33 120.29 3gdn n VAL 379 Ca -0.10 0.25 0.14 0.00 -2.96 0.00 0.00 64.34 61.67 3gdn n VAL 379 Cb 0.47 -1.12 0.56 0.00 -1.06 0.00 0.00 33.84 32.68 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 -1.98 0.94 -3.31 1.45 1.74 -1.26 -4.72 116.66 109.53 3gdn n ARG 380 Ca 0.02 -0.42 -0.40 0.00 -0.77 0.00 0.00 57.85 56.28 3gdn n ARG 380 Cb 0.20 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.07 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 -2.36 5.10 0.26 1.55 1.01 -0.96 -5.03 120.40 119.97 3gdn s VAL 381 Ca 0.31 0.49 -0.30 0.00 0.00 0.00 0.00 61.98 62.47 3gdn s VAL 381 Cb 0.20 -3.83 -0.13 0.00 0.00 0.00 0.00 36.38 32.62 3gdn s VAL 381 CO 0.45 -0.02 1.37 -1.20 0.00 0.00 0.00 175.10 175.71 3gdn n SER 382 N 5.53 2.73 -4.75 3.32 7.64 -1.26 -4.70 113.62 122.12 3gdn n SER 382 Ca -0.06 1.16 -0.30 0.00 1.01 0.00 0.00 58.87 60.67 3gdn n SER 382 Cb 0.50 -1.44 0.11 0.00 -1.01 0.00 0.00 64.21 62.37 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 -0.76 1.69 0.03 1.43 0.02 -1.26 -4.39 135.00 131.77 3gdn s PRO 383 Ca 0.65 0.82 -0.19 0.00 0.02 0.00 0.00 61.00 62.30 3gdn s PRO 383 Cb -0.63 -1.86 -0.06 0.00 0.02 0.00 0.00 34.50 31.97 3gdn s PRO 383 CO 0.53 -1.94 0.55 -0.80 -0.33 0.00 0.00 177.00 175.00 3gdn s ASN 384 N -3.57 6.99 -0.01 2.53 0.01 0.11 -4.90 114.94 116.11 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 -0.17 -2.34 0.00 0.00 0.41 0.00 0.00 41.25 39.15 3gdn s ASN 384 CO 0.56 0.22 -0.01 0.68 -1.51 0.00 0.00 177.10 177.04 3gdn s VAL 385 N -0.76 0.08 -0.03 1.60 -7.23 -1.26 -1.06 120.40 111.73 3gdn s VAL 385 Ca 0.29 -0.01 0.03 0.00 -1.81 0.00 0.00 61.98 60.48 3gdn s VAL 385 Cb -0.19 -0.10 0.00 0.00 0.56 0.00 0.00 36.38 36.66 3gdn s VAL 385 CO 0.17 0.04 -0.11 -0.75 -0.31 0.00 0.00 175.10 174.15 3gdn s LYS 386 N 0.17 1.11 -0.01 4.82 2.20 -0.94 -0.06 119.74 127.03 3gdn s LYS 386 Ca -0.01 -0.37 0.13 0.00 -0.36 0.00 0.00 55.97 55.36 3gdn s LYS 386 Cb -0.03 -1.02 -0.18 0.00 -1.51 0.00 0.00 37.83 35.09 3gdn s LYS 386 CO -0.00 0.14 0.39 1.19 -0.36 0.00 0.00 175.35 176.71 3gdn n PHE 387 N 3.24 0.00 -3.58 4.03 3.01 -1.26 -2.20 117.46 120.70 3gdn n PHE 387 Ca -0.18 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.07 3gdn n PHE 387 Cb 0.54 -0.19 0.05 0.00 -0.01 0.00 0.00 39.48 39.87 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 -1.72 -2.89 -4.62 4.37 3.02 -1.26 -3.45 115.26 108.72 3gdn n ASN 388 Ca -0.01 -0.81 -0.48 0.00 -0.03 0.00 0.00 54.58 53.25 3gdn n ASN 388 Cb 0.29 -4.29 -0.04 0.00 -0.61 0.00 0.00 39.78 35.13 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 -4.06 1.77 -1.70 3.10 4.02 -1.26 -1.80 117.16 117.22 3gdn n TYR 389 Ca -0.23 0.52 -0.21 0.00 -0.01 0.00 0.00 57.90 57.98 3gdn n TYR 389 Cb 0.65 -2.39 -0.08 0.00 -0.02 0.00 0.00 39.34 37.50 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 2.38 -0.12 0.15 -0.72 0.53 -1.26 -4.84 117.16 113.28 3gdn n TYR 390 Ca 0.16 0.00 -0.00 0.00 -1.02 0.00 0.00 57.90 57.04 3gdn n TYR 390 Cb 0.25 -3.54 0.23 0.00 -1.03 0.00 0.00 39.34 35.25 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 0.02 -3.66 7.72 4.64 -1.72 -3.38 113.55 117.17 3gdn h SER 391 Ca -0.43 -0.01 -0.65 0.00 -0.47 0.00 0.00 61.79 60.23 3gdn h SER 391 Cb 1.36 -0.01 -0.16 0.00 -0.31 0.00 0.00 62.40 63.29 3gdn h SER 391 CO 0.62 0.55 -0.19 0.21 -0.87 0.00 0.00 176.83 177.15 3gdn s ASN 392 N -6.88 6.25 0.66 4.97 3.84 -1.26 -4.95 114.94 117.56 3gdn s ASN 392 Ca -0.02 0.00 0.43 0.00 0.21 0.00 0.00 52.86 53.48 3gdn s ASN 392 Cb 0.13 -2.23 2.33 0.00 -0.55 0.00 0.00 41.25 40.94 3gdn s ASN 392 CO 0.75 -0.34 2.35 -0.07 -2.79 0.00 0.00 177.10 177.01 3gdn h LEU 393 N 8.81 0.00 -0.96 3.21 3.38 -2.01 -1.19 115.31 126.55 3gdn h LEU 393 Ca -0.30 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.58 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 0.70 0.00 -0.29 0.74 0.09 0.00 0.00 178.44 179.68 3gdn h THR 394 N 0.00 1.27 -0.68 0.22 2.02 -1.93 -1.28 112.91 112.53 3gdn h THR 394 Ca -0.00 -1.31 -0.06 0.00 0.77 0.00 0.00 66.41 65.81 3gdn h THR 394 Cb 0.02 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 3gdn h THR 394 CO 0.00 0.41 0.20 0.44 0.37 0.00 0.00 175.52 176.93 3gdn h ASP 395 N 0.35 1.00 -0.60 4.18 3.32 -1.59 -2.04 116.42 121.04 3gdn h ASP 395 Ca 0.05 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 3gdn h ASP 395 Cb 0.69 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 3gdn h ASP 395 CO 0.05 0.95 0.23 0.25 -1.72 0.00 0.00 179.24 179.00 3gdn h LEU 396 N 1.00 0.85 -0.87 1.55 5.85 -1.44 -0.67 115.31 121.58 3gdn h LEU 396 Ca 0.22 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3gdn h LEU 396 Cb 0.32 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 3gdn h LEU 396 CO -0.00 0.80 0.57 -1.28 -0.34 0.00 0.00 178.44 178.18 3gdn h SER 397 N 0.84 0.96 0.20 1.25 0.87 -1.01 -0.71 113.55 115.96 3gdn h SER 397 Ca 0.20 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.64 3gdn h SER 397 Cb 0.23 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3gdn h SER 397 CO -0.01 0.67 -0.39 0.45 -0.53 0.00 0.00 176.83 177.02 3gdn h HIS 398 N 1.13 0.30 -0.44 2.24 3.86 -0.88 -1.82 115.15 119.54 3gdn h HIS 398 Ca 0.34 -0.08 -0.11 0.00 -1.16 0.00 0.00 60.37 59.35 3gdn h HIS 398 Cb -0.05 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 3gdn h HIS 398 CO -0.02 0.62 -0.17 0.00 0.86 0.00 0.00 177.93 179.22 3gdn h VAL 400 N 0.73 0.91 -0.83 0.00 2.07 -0.89 0.95 116.25 119.19 3gdn h VAL 400 Ca 0.10 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.64 3gdn h VAL 400 Cb 0.73 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 3gdn h VAL 400 CO 0.06 0.00 0.54 0.28 0.02 0.00 0.00 177.57 178.46 3gdn h SER 401 N -0.13 0.89 -0.41 0.57 0.02 -1.28 -1.03 113.55 112.18 3gdn h SER 401 Ca -0.01 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 3gdn h SER 401 Cb 0.10 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 3gdn h SER 401 CO 0.02 0.62 0.19 1.23 -1.14 0.00 0.00 176.83 177.75 3gdn h GLY 402 N 1.05 0.64 2.00 -3.77 0.00 -0.67 -1.75 103.07 100.56 3gdn h GLY 402 Ca 0.33 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3gdn h GLY 402 CO -0.11 0.31 -0.32 -0.33 0.00 0.00 0.00 176.54 176.10 3gdn h MET 403 N 0.52 0.00 -0.24 4.80 2.07 -0.46 -1.68 114.93 119.94 3gdn h MET 403 Ca 0.14 0.00 -0.13 0.00 -2.07 0.00 0.00 59.70 57.64 3gdn h MET 403 Cb 0.14 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.86 3gdn h MET 403 CO -0.02 0.32 -0.39 0.87 1.07 0.00 0.00 176.91 178.76 3gdn h LYS 404 N 0.00 0.55 -0.47 1.72 1.57 -0.89 -0.25 116.57 118.81 3gdn h LYS 404 Ca -0.00 -0.28 -0.11 0.00 -1.87 0.00 0.00 60.65 58.39 3gdn h LYS 404 Cb 0.82 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 3gdn h LYS 404 CO 0.04 0.86 -0.13 -0.22 -0.57 0.00 0.00 179.45 179.42 3gdn h LYS 405 N 0.46 0.88 -0.62 3.15 1.63 -0.60 -0.58 116.57 120.88 3gdn h LYS 405 Ca 0.04 -0.32 -0.04 0.00 -0.85 0.00 0.00 60.65 59.48 3gdn h LYS 405 Cb 0.89 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.43 3gdn h LYS 405 CO 0.08 0.96 0.21 0.82 -3.45 0.00 0.00 179.45 178.06 3gdn h ILE 406 N 0.78 1.23 -0.88 2.00 1.08 -0.98 -0.97 117.51 119.78 3gdn h ILE 406 Ca 0.12 -0.78 0.02 0.00 -0.39 0.00 0.00 64.86 63.83 3gdn h ILE 406 Cb 0.66 0.53 -0.05 0.00 -3.07 0.00 0.00 36.82 34.89 3gdn h ILE 406 CO 0.05 0.30 0.58 1.23 -0.69 0.00 0.00 178.15 179.62 3gdn h GLY 407 N 1.02 1.25 0.94 5.37 0.00 -0.10 -0.68 103.07 110.88 3gdn h GLY 407 Ca 0.21 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 3gdn h GLY 407 CO -0.01 0.42 0.16 0.83 0.00 0.00 0.00 176.54 177.94 3gdn h GLU 408 N 1.16 0.60 -0.73 4.80 5.08 0.11 -2.08 114.58 123.53 3gdn h GLU 408 Ca 0.33 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.63 3gdn h GLU 408 Cb -0.08 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.03 3gdn h GLU 408 CO -0.08 0.57 0.44 -0.07 -1.00 0.00 0.00 179.01 178.87 3gdn h LEU 409 N 0.50 0.70 -1.71 1.33 4.07 -0.44 -0.42 115.31 119.35 3gdn h LEU 409 Ca 0.13 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.11 3gdn h LEU 409 Cb 0.20 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.80 3gdn h LEU 409 CO -0.01 0.47 0.00 -0.07 -1.08 0.00 0.00 178.44 177.75 3gdn h LEU 410 N 0.84 0.00 -2.18 1.67 3.38 -0.81 -2.48 115.31 115.73 3gdn h LEU 410 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3gdn h LEU 410 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3gdn h LEU 410 CO -0.14 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.19 3gdn n SER 411 N -2.83 3.31 -4.85 -0.43 7.64 -0.21 -4.74 113.62 111.52 3gdn n SER 411 Ca -0.00 -2.00 -0.31 0.00 1.01 0.00 0.00 58.87 57.57 3gdn n SER 411 Cb 0.20 -0.16 0.03 0.00 -1.01 0.00 0.00 64.21 63.27 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 -1.68 4.38 0.35 0.44 -4.23 -0.93 -4.94 115.64 109.01 3gdn s THR 412 Ca 0.35 0.78 0.04 0.00 -1.18 0.00 0.00 61.69 61.68 3gdn s THR 412 Cb 0.22 -3.64 0.18 0.00 1.34 0.00 0.00 72.50 70.60 3gdn s THR 412 CO 0.31 -1.00 1.91 0.44 -0.54 0.00 0.00 174.62 175.74 3gdn h ASP 413 N -0.49 0.52 -0.96 3.99 3.32 -1.93 -2.69 116.42 118.18 3gdn h ASP 413 Ca -0.44 -0.08 0.08 0.00 0.02 0.00 0.00 57.03 56.61 3gdn h ASP 413 Cb 1.20 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 40.55 3gdn h ASP 413 CO 0.59 0.54 0.62 0.00 -1.72 0.00 0.00 179.24 179.27 3gdn h ALA 414 N 1.54 1.50 -0.01 3.45 0.00 -1.91 -2.53 119.26 121.30 3gdn h ALA 414 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3gdn h ALA 414 Cb 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3gdn h ALA 414 CO -0.00 0.32 -0.26 1.28 0.00 0.00 0.00 179.25 180.60 3gdn n LEU 415 N -4.52 1.75 -0.29 0.00 4.77 -1.04 -4.39 117.00 113.28 3gdn n LEU 415 Ca 0.16 -0.58 0.05 0.00 -0.03 0.00 0.00 56.01 55.60 3gdn n LEU 415 Cb 0.25 -0.04 0.19 0.00 -2.33 0.00 0.00 43.42 41.49 3gdn n LEU 415 CO 0.31 0.31 1.13 0.11 -1.33 0.00 0.00 177.39 177.92 3gdn h LYS 416 N 2.34 0.71 0.00 3.23 1.57 -1.21 -0.89 116.57 122.32 3gdn h LYS 416 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3gdn h LYS 416 Cb 0.67 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3gdn h LYS 416 CO 0.00 0.47 0.00 -2.30 -0.57 0.00 0.00 179.45 177.05 3gdn n PRO 417 N -4.79 0.04 -0.29 3.15 -0.02 -1.26 -2.03 135.00 129.80 3gdn n PRO 417 Ca 0.15 0.50 0.10 0.00 -2.02 0.00 0.00 63.50 62.23 3gdn n PRO 417 Cb 0.34 -1.62 0.26 0.00 -0.02 0.00 0.00 33.50 32.46 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 -1.71 0.76 -2.87 6.00 4.02 -0.34 -4.82 117.16 118.20 3gdn n TYR 418 Ca 0.00 -0.46 -0.28 0.00 -0.01 0.00 0.00 57.90 57.14 3gdn n TYR 418 Cb 0.04 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.34 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 -1.05 3.63 -0.07 -0.72 1.02 -0.86 -4.34 119.74 117.35 3gdn s LYS 419 Ca 0.40 0.22 0.11 0.00 0.02 0.00 0.00 55.97 56.72 3gdn s LYS 419 Cb 0.21 -2.44 -0.24 0.00 -0.52 0.00 0.00 37.83 34.84 3gdn s LYS 419 CO 0.28 -0.06 0.55 0.28 -0.92 0.00 0.00 175.35 175.48 3gdn n VAL 420 N -1.70 1.61 -4.38 3.17 0.31 0.20 -4.65 118.33 112.89 3gdn n VAL 420 Ca 0.00 -0.78 -0.19 0.00 -0.01 0.00 0.00 64.34 63.36 3gdn n VAL 420 Cb 0.55 -1.06 -0.14 0.00 -0.91 0.00 0.00 33.84 32.27 3gdn n VAL 420 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3gdn s GLU 421 N -2.58 0.78 -1.27 5.55 2.02 -0.60 -5.06 118.70 117.54 3gdn s GLU 421 Ca -0.08 -0.41 -0.19 0.00 0.02 0.00 0.00 54.97 54.32 3gdn s GLU 421 Cb 0.08 -0.75 0.03 0.00 0.10 0.00 0.00 34.13 33.58 3gdn s GLU 421 CO 0.82 0.20 1.80 -3.47 0.02 0.00 0.00 175.26 174.62 3gdn n ASP 422 N 2.68 4.43 -4.71 -0.19 -0.08 -1.26 -4.34 116.55 113.07 3gdn n ASP 422 Ca -0.14 -2.86 -0.24 0.00 -1.51 0.00 0.00 54.79 50.04 3gdn n ASP 422 Cb 0.56 -1.75 -0.06 0.00 2.34 0.00 0.00 41.12 42.21 3gdn n ASP 422 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3gdn s LEU 423 N 6.04 3.44 0.62 -2.67 1.43 -1.26 -5.06 118.68 121.23 3gdn s LEU 423 Ca 0.58 -0.43 -0.17 0.00 -1.03 0.00 0.00 54.13 53.08 3gdn s LEU 423 Cb 0.03 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 3gdn s LEU 423 CO 0.09 0.02 1.15 -2.16 0.23 0.00 0.00 176.35 175.69 3gdn s PRO 424 N -3.45 2.88 7.14 1.29 0.04 -1.26 -4.59 135.00 137.05 3gdn s PRO 424 Ca 0.31 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.96 3gdn s PRO 424 Cb -0.08 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3gdn s PRO 424 CO 0.21 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.43 3gdn n GLY 425 N 0.06 3.18 0.38 0.56 0.00 -1.26 -2.35 105.19 105.76 3gdn n GLY 425 Ca 0.12 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 0.07 -2.55 1.61 0.24 -1.26 -4.44 118.33 111.99 3gdn n VAL 426 Ca 0.00 -0.22 -0.30 0.00 -2.04 0.00 0.00 64.34 61.78 3gdn n VAL 426 Cb 0.00 0.22 -0.02 0.00 -1.47 0.00 0.00 33.84 32.57 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 -1.93 3.72 0.00 7.34 2.02 -0.99 -4.44 118.70 124.43 3gdn s GLU 427 Ca 0.36 0.54 0.00 0.00 0.02 0.00 0.00 54.97 55.90 3gdn s GLU 427 Cb 0.19 -2.29 0.00 0.00 0.10 0.00 0.00 34.13 32.13 3gdn s GLU 427 CO 0.30 -0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.78 3gdn n GLY 428 N -1.82 1.71 3.89 -1.39 0.00 -1.26 -4.08 105.19 102.23 3gdn n GLY 428 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.12 3.47 -0.49 1.61 0.40 -1.26 0.63 117.98 120.22 3gdn s PHE 429 Ca 0.00 0.86 -0.21 0.00 -0.60 0.00 0.00 56.93 56.98 3gdn s PHE 429 Cb 0.00 -2.29 0.04 0.00 0.51 0.00 0.00 43.02 41.28 3gdn s PHE 429 CO 0.00 0.03 0.73 1.21 0.70 0.00 0.00 175.22 177.90 3gdn s ASN 430 N -3.13 6.31 -0.10 1.36 3.04 -1.26 -4.84 114.94 116.32 3gdn s ASN 430 Ca 0.48 -0.50 -0.12 0.00 0.04 0.00 0.00 52.86 52.76 3gdn s ASN 430 Cb -0.10 -2.35 -0.05 0.00 -1.54 0.00 0.00 41.25 37.21 3gdn s ASN 430 CO 0.30 -0.95 0.28 -0.63 -3.04 0.00 0.00 177.10 173.06 3gdn s ILE 431 N 3.12 5.27 -0.34 -5.21 -1.09 -1.26 -0.14 121.20 121.55 3gdn s ILE 431 Ca 0.23 0.54 -0.11 0.00 -2.23 0.00 0.00 60.65 59.08 3gdn s ILE 431 Cb -0.15 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 3gdn s ILE 431 CO 0.17 0.52 0.20 -0.22 -1.23 0.00 0.00 174.94 174.38 3gdn s LEU 432 N -0.47 4.47 0.00 2.97 2.96 -0.66 -4.96 118.68 122.99 3gdn s LEU 432 Ca 0.18 -0.66 0.00 0.00 -0.22 0.00 0.00 54.13 53.43 3gdn s LEU 432 Cb -0.14 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.50 3gdn s LEU 432 CO 0.07 -0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.43 3gdn n GLY 433 N 5.03 -1.40 3.67 7.98 0.00 -1.26 -4.20 105.19 115.02 3gdn n GLY 433 Ca -0.13 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 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 0.63 -0.61 1.01 -1.26 -5.03 121.20 120.23 3gdn s ILE 434 Ca 0.00 1.59 -0.09 0.00 0.00 0.00 0.00 60.65 62.16 3gdn s ILE 434 Cb 0.00 -4.03 -0.00 0.00 0.01 0.00 0.00 42.46 38.44 3gdn s ILE 434 CO 0.00 -0.08 0.98 -2.16 0.00 0.00 0.00 174.94 173.68 3gdn s PRO 435 N 2.96 3.07 0.62 2.79 0.04 -1.26 -4.86 135.00 138.36 3gdn s PRO 435 Ca 0.54 0.31 -0.15 0.00 0.04 0.00 0.00 61.00 61.75 3gdn s PRO 435 Cb -0.22 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 3gdn s PRO 435 CO 0.17 -0.75 1.06 -0.51 0.04 0.00 0.00 177.00 177.01 3gdn s LEU 436 N -5.13 3.41 0.40 -3.56 1.43 -1.26 -4.98 118.68 108.99 3gdn s LEU 436 Ca 0.55 1.79 -0.26 0.00 -1.03 0.00 0.00 54.13 55.18 3gdn s LEU 436 Cb -0.11 -4.53 -0.09 0.00 0.03 0.00 0.00 46.19 41.50 3gdn s LEU 436 CO 0.49 -1.27 1.32 -2.84 0.23 0.00 0.00 176.35 174.28 3gdn s PRO 437 N -4.28 3.99 0.15 1.29 0.02 -1.26 -4.90 135.00 130.00 3gdn s PRO 437 Ca 0.63 2.20 -0.15 0.00 0.02 0.00 0.00 61.00 63.70 3gdn s PRO 437 Cb -0.16 -2.79 0.03 0.00 0.02 0.00 0.00 34.50 31.61 3gdn s PRO 437 CO 0.41 -0.49 1.77 0.87 -0.33 0.00 0.00 177.00 179.22 3gdn h LYS 438 N 2.73 0.65 -6.51 5.54 1.57 -1.99 -3.39 116.57 115.16 3gdn h LYS 438 Ca -0.50 -0.07 -0.56 0.00 -1.87 0.00 0.00 60.65 57.65 3gdn h LYS 438 Cb 1.25 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 33.37 3gdn h LYS 438 CO 0.63 0.51 1.07 0.34 -0.57 0.00 0.00 179.45 181.43 3gdn s ASP 439 N -5.76 6.29 0.00 0.86 -1.08 -1.26 -4.77 116.67 110.95 3gdn s ASP 439 Ca -0.13 0.65 0.19 0.00 -0.52 0.00 0.00 52.55 52.74 3gdn s ASP 439 Cb 0.11 -2.54 1.04 0.00 -1.46 0.00 0.00 42.92 40.07 3gdn s ASP 439 CO 0.75 -1.51 1.55 0.00 0.52 0.00 0.00 175.17 176.48 3gdn n GLN 440 N 8.23 0.44 -0.05 4.34 1.13 -1.26 -2.38 117.38 127.82 3gdn n GLN 440 Ca 0.15 0.05 0.07 0.00 -1.94 0.00 0.00 57.00 55.33 3gdn n GLN 440 Cb 0.48 -1.50 0.09 0.00 0.11 0.00 0.00 30.24 29.42 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 -1.14 0.25 -2.86 5.09 -2.24 -1.26 -4.84 114.28 107.28 3gdn n THR 441 Ca 0.12 -0.63 -0.44 0.00 -2.27 0.00 0.00 64.05 60.83 3gdn n THR 441 Cb 0.10 1.08 -0.01 0.00 -2.10 0.00 0.00 70.33 69.41 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 -1.08 6.89 0.19 3.42 -1.08 -1.00 -4.86 116.67 119.15 3gdn s ASP 442 Ca 0.19 -2.58 -0.12 0.00 -0.52 0.00 0.00 52.55 49.52 3gdn s ASP 442 Cb 0.12 -2.44 0.22 0.00 -1.46 0.00 0.00 42.92 39.36 3gdn s ASP 442 CO 0.17 -0.94 1.73 0.44 0.52 0.00 0.00 175.17 177.09 3gdn h ASP 443 N 7.81 0.09 -0.97 -0.34 5.19 -1.88 -1.59 116.42 124.72 3gdn h ASP 443 Ca 0.29 0.08 0.06 0.00 -0.62 0.00 0.00 57.03 56.85 3gdn h ASP 443 Cb 0.92 0.09 -0.07 0.00 0.18 0.00 0.00 39.33 40.46 3gdn h ASP 443 CO 1.25 0.07 0.62 0.00 -3.12 0.00 0.00 179.24 178.07 3gdn h ALA 444 N 1.39 1.35 -0.50 3.45 0.00 -2.00 0.37 119.26 123.32 3gdn h ALA 444 Ca 0.27 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3gdn h ALA 444 Cb 0.34 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3gdn h ALA 444 CO -0.31 0.41 -0.05 0.00 0.00 0.00 0.00 179.25 179.30 3gdn h ALA 445 N 1.44 0.96 -0.20 0.00 0.00 -1.73 -2.20 119.26 117.54 3gdn h ALA 445 Ca 0.42 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3gdn h ALA 445 Cb 0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3gdn h ALA 445 CO -0.17 0.62 -0.35 0.74 0.00 0.00 0.00 179.25 180.09 3gdn h PHE 446 N 0.81 0.49 -0.51 0.00 -1.00 -0.45 -1.32 116.94 114.96 3gdn h PHE 446 Ca 0.14 -0.12 -0.05 0.00 2.81 0.00 0.00 57.97 60.75 3gdn h PHE 446 Cb 0.55 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.98 3gdn h PHE 446 CO 0.03 0.72 0.13 0.93 -1.61 0.00 0.00 178.31 178.52 3gdn h GLU 447 N 0.36 0.81 -0.62 1.51 5.08 -0.63 0.74 114.58 121.84 3gdn h GLU 447 Ca 0.04 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 3gdn h GLU 447 Cb 0.79 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 3gdn h GLU 447 CO 0.06 0.78 0.22 1.15 -1.00 0.00 0.00 179.01 180.22 3gdn h THR 448 N 0.71 1.24 -0.20 1.13 2.02 -1.21 -1.38 112.91 115.21 3gdn h THR 448 Ca 0.16 -0.78 0.02 0.00 0.77 0.00 0.00 66.41 66.58 3gdn h THR 448 Cb 0.32 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3gdn h THR 448 CO 0.00 0.30 0.09 0.15 0.37 0.00 0.00 175.52 176.43 3gdn h PHE 449 N 0.87 0.16 -0.55 3.16 3.57 -0.88 -0.45 116.94 122.82 3gdn h PHE 449 Ca 0.20 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.77 3gdn h PHE 449 Cb 0.24 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 3gdn h PHE 449 CO 0.02 0.09 0.27 0.00 -2.23 0.00 0.00 178.31 176.45 3gdn h ARG 451 N 0.51 0.58 0.00 0.00 3.08 -0.98 -3.13 114.38 114.45 3gdn h ARG 451 Ca 0.25 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3gdn h ARG 451 Cb 0.18 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3gdn h ARG 451 CO -0.18 0.98 -0.15 0.39 -1.07 0.00 0.00 179.97 179.94 3gdn n GLU 452 N -4.28 0.28 -0.04 0.04 1.02 -0.20 -3.92 120.64 113.54 3gdn n GLU 452 Ca -0.06 0.19 0.04 0.00 -0.02 0.00 0.00 57.16 57.31 3gdn n GLU 452 Cb 0.51 -1.79 0.05 0.00 -0.02 0.00 0.00 31.44 30.20 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 -2.25 1.93 -4.69 1.62 3.41 -0.60 -5.06 113.62 107.99 3gdn n SER 453 Ca 0.05 -1.52 -0.38 0.00 -0.26 0.00 0.00 58.87 56.76 3gdn n SER 453 Cb 0.44 -0.05 0.05 0.00 -0.26 0.00 0.00 64.21 64.39 3gdn n SER 453 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3gdn n VAL 454 N 0.37 3.86 -4.21 -3.33 3.14 -1.18 -4.76 118.33 112.21 3gdn n VAL 454 Ca 0.06 -0.50 -0.17 0.00 -2.96 0.00 0.00 64.34 60.76 3gdn n VAL 454 Cb 0.24 -1.44 -0.07 0.00 -1.06 0.00 0.00 33.84 31.52 3gdn n VAL 454 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3gdn s ALA 455 N -1.37 1.45 0.03 1.55 0.00 -0.15 -4.67 121.76 118.60 3gdn s ALA 455 Ca 0.74 -1.86 -0.10 0.00 0.00 0.00 0.00 51.96 50.74 3gdn s ALA 455 Cb -0.42 1.37 -0.05 0.00 0.00 0.00 0.00 23.12 24.01 3gdn s ALA 455 CO 0.48 -0.70 0.36 0.45 0.00 0.00 0.00 175.76 176.34 3gdn s SER 456 N -3.31 6.63 0.00 0.00 0.15 -1.26 -0.44 113.70 115.47 3gdn s SER 456 Ca 0.37 0.76 0.28 0.00 0.70 0.00 0.00 55.95 58.07 3gdn s SER 456 Cb 0.02 -2.17 1.19 0.00 -1.71 0.00 0.00 66.02 63.34 3gdn s SER 456 CO 0.24 0.24 1.82 0.00 1.20 0.00 0.00 173.24 176.74 3gdn n TYR 457 N 1.24 0.00 -1.06 3.44 9.36 -1.05 -4.62 117.16 124.48 3gdn n TYR 457 Ca -0.11 -0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.09 3gdn n TYR 457 Cb 0.53 0.00 -0.01 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 -0.02 0.00 -1.33 2.98 8.01 -1.26 -4.88 117.44 120.94 3gdn n TRP 458 Ca 0.20 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 56.17 3gdn n TRP 458 Cb 0.31 -1.27 0.16 0.00 -2.01 0.00 0.00 31.31 28.50 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 -2.49 2.68 -1.57 -5.99 8.25 -1.26 -5.01 115.22 109.83 3gdn n HIS 459 Ca -0.02 -2.03 -0.37 0.00 -0.26 0.00 0.00 57.72 55.04 3gdn n HIS 459 Cb 0.29 -0.92 0.07 0.00 1.12 0.00 0.00 29.99 30.55 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 -1.09 1.12 -3.82 4.41 0.18 -1.26 -4.60 117.16 112.10 3gdn n TYR 460 Ca 0.54 0.42 -0.08 0.00 1.88 0.00 0.00 57.90 60.66 3gdn n TYR 460 Cb 1.33 -2.16 0.02 0.00 -0.38 0.00 0.00 39.34 38.15 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 -1.57 0.07 0.00 -3.48 -3.43 -0.02 -4.89 115.29 101.97 3gdn s HIS 461 Ca 0.78 -0.68 0.00 0.00 -0.80 0.00 0.00 55.06 54.36 3gdn s HIS 461 Cb -0.38 0.80 0.00 0.00 -1.43 0.00 0.00 32.58 31.57 3gdn s HIS 461 CO 0.46 -1.43 0.00 0.41 -2.00 0.00 0.00 174.74 172.18 3gdn n GLY 462 N -0.54 -2.03 0.00 -1.38 0.00 -0.58 -1.02 105.19 99.64 3gdn n GLY 462 Ca -0.07 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.05 1.63 2.68 -0.02 0.00 -0.93 -4.26 105.19 104.23 3gdn n GLY 463 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.16 4.08 0.18 0.00 1.43 -1.21 -3.87 118.68 117.14 3gdn s LEU 465 Ca 0.25 2.49 -0.30 0.00 -1.03 0.00 0.00 54.13 55.53 3gdn s LEU 465 Cb 0.29 -4.10 -0.09 0.00 0.03 0.00 0.00 46.19 42.32 3gdn s LEU 465 CO -0.07 -0.96 1.34 -0.69 0.23 0.00 0.00 176.35 176.21 3gdn s VAL 466 N -1.40 3.17 0.00 -1.59 1.01 -0.30 -0.47 120.40 120.83 3gdn s VAL 466 Ca 0.62 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.53 3gdn s VAL 466 Cb -0.34 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.45 3gdn s VAL 466 CO 0.42 0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3gdn n GLY 467 N 2.63 1.13 1.03 4.51 0.00 0.11 -4.80 105.19 109.80 3gdn n GLY 467 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.05 1.61 4.76 -0.70 -4.92 118.16 116.86 3gdn n LYS 468 Ca 0.00 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.38 3gdn n LYS 468 Cb 0.00 -0.49 -0.05 0.00 -1.84 0.00 0.00 35.03 32.64 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 -3.18 0.57 -4.11 -0.18 0.31 0.38 -4.71 118.33 107.41 3gdn n VAL 469 Ca 0.00 -0.26 -0.22 0.00 -0.01 0.00 0.00 64.34 63.85 3gdn n VAL 469 Cb 0.31 -0.84 -0.05 0.00 -0.91 0.00 0.00 33.84 32.35 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 -5.29 3.60 0.00 7.52 1.43 -0.82 -2.05 118.68 123.08 3gdn s LEU 470 Ca -0.11 -0.41 0.05 0.00 -1.03 0.00 0.00 54.13 52.62 3gdn s LEU 470 Cb 0.03 -2.14 0.05 0.00 0.03 0.00 0.00 46.19 44.16 3gdn s LEU 470 CO 0.26 -0.09 0.40 -0.90 0.23 0.00 0.00 176.35 176.25 3gdn n ASP 471 N -1.14 1.04 0.03 2.29 3.85 -0.44 0.03 116.55 122.22 3gdn n ASP 471 Ca -0.06 -1.76 0.04 0.00 -0.71 0.00 0.00 54.79 52.29 3gdn n ASP 471 Cb 0.59 -0.22 0.19 0.00 -1.35 0.00 0.00 41.12 40.33 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 1.47 -0.71 0.92 6.12 0.00 -1.26 -1.37 105.19 110.36 3gdn n GLY 472 Ca 0.08 0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.66 3.65 -0.70 1.61 8.00 -1.26 -4.60 116.55 121.59 3gdn n ASP 473 Ca 0.01 -2.46 -0.09 0.00 0.71 0.00 0.00 54.79 52.96 3gdn n ASP 473 Cb 0.06 -0.42 -0.04 0.00 -0.02 0.00 0.00 41.12 40.70 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 0.27 0.00 -2.99 1.24 3.01 -0.47 -4.97 117.46 113.56 3gdn n PHE 474 Ca 0.18 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.27 3gdn n PHE 474 Cb 0.69 -2.05 -0.06 0.00 -0.01 0.00 0.00 39.48 38.05 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 -2.54 4.39 -0.25 -1.08 0.52 -1.26 -1.51 118.95 117.22 3gdn s ARG 475 Ca 0.00 1.04 -0.29 0.00 -0.52 0.00 0.00 55.73 55.96 3gdn s ARG 475 Cb 0.00 -2.91 -0.00 0.00 0.52 0.00 0.00 34.95 32.56 3gdn s ARG 475 CO 0.00 0.38 1.29 0.08 0.02 0.00 0.00 175.30 177.08 3gdn s VAL 476 N -1.50 4.18 0.34 3.52 1.01 -0.54 -1.33 120.40 126.09 3gdn s VAL 476 Ca 0.44 1.37 -0.28 0.00 0.00 0.00 0.00 61.98 63.51 3gdn s VAL 476 Cb -0.18 -4.09 -0.12 0.00 0.00 0.00 0.00 36.38 31.99 3gdn s VAL 476 CO 0.22 -0.35 1.35 0.35 0.00 0.00 0.00 175.10 176.67 3gdn n THR 477 N 5.92 1.94 -0.15 3.92 -2.24 -0.87 -2.24 114.28 120.56 3gdn n THR 477 Ca 0.15 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3gdn n THR 477 Cb 0.46 -1.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.02 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 0.78 2.07 3.05 3.38 0.00 -1.26 -5.00 105.19 108.20 3gdn n GLY 478 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.93 1.23 0.44 -0.61 1.01 -0.95 -4.71 121.20 114.68 3gdn s ILE 479 Ca 0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 60.65 60.03 3gdn s ILE 479 Cb 0.00 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.31 3gdn s ILE 479 CO 0.00 0.38 0.77 0.20 0.00 0.00 0.00 174.94 176.28 3gdn s ASN 480 N 0.59 6.38 -1.46 3.58 0.01 -0.37 -4.27 114.94 119.39 3gdn s ASN 480 Ca -0.14 1.00 -0.02 0.00 -0.71 0.00 0.00 52.86 52.99 3gdn s ASN 480 Cb -0.16 -2.27 0.01 0.00 0.41 0.00 0.00 41.25 39.24 3gdn s ASN 480 CO 0.04 -0.49 0.22 0.00 -1.51 0.00 0.00 177.10 175.36 3gdn n ALA 481 N -1.80 -0.81 -3.70 0.60 0.00 -1.26 -1.24 120.51 112.29 3gdn n ALA 481 Ca 0.01 0.17 -0.17 0.00 0.00 0.00 0.00 53.44 53.45 3gdn n ALA 481 Cb 0.55 -2.51 -0.17 0.00 0.00 0.00 0.00 19.45 17.32 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 -6.15 0.34 0.26 0.00 2.96 -1.26 -0.84 118.68 113.99 3gdn s LEU 482 Ca 0.13 0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.22 3gdn s LEU 482 Cb -0.06 0.04 -0.05 0.00 0.50 0.00 0.00 46.19 46.62 3gdn s LEU 482 CO 0.16 -0.21 0.07 -0.13 -1.32 0.00 0.00 176.35 174.92 3gdn s ARG 483 N 1.86 1.40 -0.07 1.98 0.52 -0.71 -1.46 118.95 122.48 3gdn s ARG 483 Ca -0.00 -1.75 0.00 0.00 -0.52 0.00 0.00 55.73 53.46 3gdn s ARG 483 Cb -0.12 -0.37 0.02 0.00 0.52 0.00 0.00 34.95 35.00 3gdn s ARG 483 CO -0.04 -0.25 -0.06 0.08 0.02 0.00 0.00 175.30 175.06 3gdn s VAL 484 N -3.66 0.70 -0.26 3.52 1.01 -0.57 -0.93 120.40 120.21 3gdn s VAL 484 Ca 0.35 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 3gdn s VAL 484 Cb 0.08 -0.73 0.10 0.00 0.00 0.00 0.00 36.38 35.82 3gdn s VAL 484 CO 0.12 0.28 0.14 -0.69 0.00 0.00 0.00 175.10 174.96 3gdn s VAL 485 N 1.24 -0.12 0.00 2.92 1.01 -0.56 -4.84 120.40 120.05 3gdn s VAL 485 Ca -0.05 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3gdn s VAL 485 Cb -0.14 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.35 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 5.27 0.00 0.00 3.32 5.68 -1.26 -4.28 116.55 125.27 3gdn n ASP 486 Ca -0.06 -0.33 0.09 0.00 -0.50 0.00 0.00 54.79 54.00 3gdn n ASP 486 Cb 0.44 0.00 0.54 0.00 -1.14 0.00 0.00 41.12 40.96 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 -3.52 105.19 105.95 3gdn n GLY 487 Ca 0.00 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.94 0.35 -0.00 1.61 3.41 -1.26 -1.52 113.62 115.26 3gdn n SER 488 Ca 0.14 -0.25 0.13 0.00 -0.26 0.00 0.00 58.87 58.63 3gdn n SER 488 Cb 0.06 -0.12 0.37 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.00 -4.27 6.66 -2.24 -1.23 -1.22 114.28 110.79 3gdn n THR 489 Ca 0.11 -0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.69 3gdn n THR 489 Cb 0.30 0.01 -0.13 0.00 -2.10 0.00 0.00 70.33 68.42 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 -2.99 1.30 0.24 4.78 0.40 -1.26 -1.15 117.98 119.29 3gdn s PHE 490 Ca 0.12 -0.41 0.04 0.00 -0.60 0.00 0.00 56.93 56.08 3gdn s PHE 490 Cb 0.18 -0.74 0.26 0.00 0.51 0.00 0.00 43.02 43.22 3gdn s PHE 490 CO 0.64 0.07 1.57 -1.00 0.70 0.00 0.00 175.22 177.19 3gdn h PRO 491 N 4.53 0.25 -6.44 0.24 0.13 -1.90 -3.19 132.00 125.61 3gdn h PRO 491 Ca -0.40 -0.17 -0.62 0.00 -0.87 0.00 0.00 66.00 63.93 3gdn h PRO 491 Cb 1.18 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 32.19 3gdn h PRO 491 CO 0.42 0.77 -0.74 0.71 -0.23 0.00 0.00 178.00 178.92 3gdn s TYR 492 N -3.79 2.53 0.22 1.56 4.12 -1.26 -4.58 117.35 116.15 3gdn s TYR 492 Ca -0.04 -0.26 -0.30 0.00 0.02 0.00 0.00 57.07 56.49 3gdn s TYR 492 Cb 0.12 -1.22 -0.09 0.00 -1.52 0.00 0.00 41.96 39.26 3gdn s TYR 492 CO 0.80 0.54 1.25 -0.08 0.02 0.00 0.00 175.55 178.07 3gdn s THR 493 N -1.83 3.31 -0.25 -0.71 -1.32 -0.10 -4.94 115.64 109.79 3gdn s THR 493 Ca 0.25 1.14 0.28 0.00 -1.21 0.00 0.00 61.69 62.14 3gdn s THR 493 Cb -0.08 -3.72 0.32 0.00 -1.51 0.00 0.00 72.50 67.50 3gdn s THR 493 CO 0.14 0.20 1.83 1.55 -2.21 0.00 0.00 174.62 176.13 3gdn h PRO 494 N 4.92 0.00 0.00 7.08 0.13 -1.94 -3.45 132.00 138.75 3gdn h PRO 494 Ca -0.45 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.81 3gdn h PRO 494 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 3gdn h PRO 494 CO 0.74 0.00 0.42 0.00 -0.23 0.00 0.00 178.00 178.93 3gdn n ALA 495 N -1.92 -1.83 0.11 -0.56 0.00 -1.26 -0.86 120.51 114.19 3gdn n ALA 495 Ca 0.02 -0.61 0.05 0.00 0.00 0.00 0.00 53.44 52.90 3gdn n ALA 495 Cb 0.29 0.29 0.49 0.00 0.00 0.00 0.00 19.45 20.52 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 1.24 0.26 -3.24 0.00 4.64 -1.91 -3.38 113.55 111.16 3gdn h SER 496 Ca -0.16 -0.02 -0.46 0.00 -0.47 0.00 0.00 61.79 60.68 3gdn h SER 496 Cb 0.75 -0.07 -0.39 0.00 -0.31 0.00 0.00 62.40 62.38 3gdn h SER 496 CO 0.22 0.24 -0.76 -1.00 -0.87 0.00 0.00 176.83 174.66 3gdn s HIS 497 N -5.18 0.71 -0.94 4.77 3.76 -1.26 -5.06 115.29 112.08 3gdn s HIS 497 Ca -0.07 -0.39 0.28 0.00 -0.15 0.00 0.00 55.06 54.74 3gdn s HIS 497 Cb 0.17 -0.85 1.13 0.00 1.11 0.00 0.00 32.58 34.14 3gdn s HIS 497 CO 0.71 -0.43 1.89 -0.35 -0.85 0.00 0.00 174.74 175.70 3gdn n PRO 498 N 5.14 0.06 -0.15 8.40 -0.04 -1.26 -4.28 135.00 142.86 3gdn n PRO 498 Ca -0.07 0.05 0.04 0.00 -0.04 0.00 0.00 63.50 63.48 3gdn n PRO 498 Cb 0.49 -1.57 0.33 0.00 -0.04 0.00 0.00 33.50 32.71 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 0.78 -0.43 0.54 3.07 -1.88 -1.89 115.11 115.30 3gdn h GLN 499 Ca 0.00 -0.05 0.05 0.00 0.09 0.00 0.00 58.65 58.74 3gdn h GLN 499 Cb 0.55 -0.18 -0.04 0.00 0.08 0.00 0.00 27.48 27.89 3gdn h GLN 499 CO 0.00 0.52 0.18 0.78 0.09 0.00 0.00 178.83 180.40 3gdn h GLY 500 N 0.81 0.58 0.94 0.06 0.00 -1.75 0.17 103.07 103.88 3gdn h GLY 500 Ca 0.26 -0.11 -0.07 0.00 0.00 0.00 0.00 47.33 47.41 3gdn h GLY 500 CO -0.07 0.05 -0.05 -2.75 0.00 0.00 0.00 176.54 173.72 3gdn h PHE 501 N 0.36 0.77 -0.23 5.60 3.57 -1.57 -1.72 116.94 123.72 3gdn h PHE 501 Ca 0.20 -0.15 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 3gdn h PHE 501 Cb 0.16 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 3gdn h PHE 501 CO -0.13 0.82 -0.21 1.88 -2.23 0.00 0.00 178.31 178.43 3gdn h TYR 502 N 0.50 0.46 -0.15 0.41 0.99 -1.01 0.21 116.97 118.37 3gdn h TYR 502 Ca 0.10 -0.08 -0.03 0.00 2.00 0.00 0.00 58.73 60.72 3gdn h TYR 502 Cb 0.55 -0.12 -0.01 0.00 1.00 0.00 0.00 36.73 38.15 3gdn h TYR 502 CO 0.05 0.61 -0.00 -0.07 -0.00 0.00 0.00 178.16 178.74 3gdn h LEU 503 N 0.38 0.27 -0.43 3.88 3.38 -0.57 -2.84 115.31 119.38 3gdn h LEU 503 Ca 0.06 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3gdn h LEU 503 Cb 0.59 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3gdn h LEU 503 CO 0.04 0.52 0.27 -0.03 0.09 0.00 0.00 178.44 179.33 3gdn h MET 504 N 0.01 0.58 -0.83 1.13 4.05 -1.01 -2.92 114.93 115.94 3gdn h MET 504 Ca 0.04 -0.05 0.16 0.00 -0.28 0.00 0.00 59.70 59.57 3gdn h MET 504 Cb 0.38 -0.13 -0.10 0.00 -0.80 0.00 0.00 31.60 30.96 3gdn h MET 504 CO 0.01 0.41 0.40 1.25 0.23 0.00 0.00 176.91 179.21 3gdn h LEU 505 N 0.58 0.44 0.01 3.39 5.85 -0.50 -0.01 115.31 125.07 3gdn h LEU 505 Ca 0.16 0.10 0.03 0.00 0.84 0.00 0.00 57.88 59.01 3gdn h LEU 505 Cb -0.03 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3gdn h LEU 505 CO -0.03 0.16 -0.22 1.23 -0.34 0.00 0.00 178.44 179.24 3gdn h GLY 506 N 0.55 -0.33 1.37 3.75 0.00 -1.30 -1.62 103.07 105.50 3gdn h GLY 506 Ca 0.46 0.26 -0.16 0.00 0.00 0.00 0.00 47.33 47.90 3gdn h GLY 506 CO -0.39 -0.19 -0.49 -0.09 0.00 0.00 0.00 176.54 175.37 3gdn h ARG 507 N -0.36 0.67 -0.05 4.80 2.43 -1.52 -2.47 114.38 117.88 3gdn h ARG 507 Ca 0.06 -0.39 0.04 0.00 -0.81 0.00 0.00 59.98 58.87 3gdn h ARG 507 Cb 0.43 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.96 3gdn h ARG 507 CO -0.19 1.01 -0.35 -0.92 -1.51 0.00 0.00 179.97 178.00 3gdn h TYR 508 N 0.53 -0.97 -0.24 2.20 3.20 -0.67 0.27 116.97 121.29 3gdn h TYR 508 Ca 0.02 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 3gdn h TYR 508 Cb 1.05 0.43 -0.01 0.00 1.54 0.00 0.00 36.73 39.74 3gdn h TYR 508 CO 0.05 -0.43 -0.12 0.28 -1.64 0.00 0.00 178.16 176.30 3gdn h VAL 509 N -0.47 1.21 -0.62 1.81 2.07 -1.34 -1.34 116.25 117.56 3gdn h VAL 509 Ca 0.07 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.68 3gdn h VAL 509 Cb 0.58 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3gdn h VAL 509 CO -0.31 0.29 0.39 1.23 0.02 0.00 0.00 177.57 179.20 3gdn h GLY 510 N 0.86 0.89 1.10 2.17 0.00 -0.71 -0.14 103.07 107.24 3gdn h GLY 510 Ca 0.07 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 3gdn h GLY 510 CO 0.02 0.34 -0.03 -2.22 0.00 0.00 0.00 176.54 174.66 3gdn h ILE 511 N 0.85 1.27 -0.59 2.60 1.08 0.08 -1.82 117.51 120.97 3gdn h ILE 511 Ca 0.23 -1.18 -0.02 0.00 -0.39 0.00 0.00 64.86 63.49 3gdn h ILE 511 Cb -0.06 0.83 -0.03 0.00 -3.07 0.00 0.00 36.82 34.50 3gdn h ILE 511 CO -0.05 0.43 0.28 0.11 -0.69 0.00 0.00 178.15 178.23 3gdn h LYS 512 N 0.97 0.82 -0.36 2.37 1.79 -0.72 -0.13 116.57 121.31 3gdn h LYS 512 Ca 0.17 -0.10 -0.12 0.00 -2.18 0.00 0.00 60.65 58.41 3gdn h LYS 512 Cb 0.59 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 3gdn h LYS 512 CO 0.04 0.64 -0.25 0.82 -1.08 0.00 0.00 179.45 179.61 3gdn h ILE 513 N 0.82 1.28 -0.70 1.86 2.04 -0.70 -1.62 117.51 120.50 3gdn h ILE 513 Ca 0.20 -1.41 -0.07 0.00 1.00 0.00 0.00 64.86 64.59 3gdn h ILE 513 Cb 0.09 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 3gdn h ILE 513 CO -0.03 0.46 0.17 -0.07 0.00 0.00 0.00 178.15 178.69 3gdn h LEU 514 N 0.61 1.06 -1.14 1.44 3.38 -0.84 -0.02 115.31 119.80 3gdn h LEU 514 Ca 0.07 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 3gdn h LEU 514 Cb 0.82 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3gdn h LEU 514 CO 0.07 1.02 0.03 1.56 0.09 0.00 0.00 178.44 181.21 3gdn h GLN 515 N 1.07 0.63 -0.36 1.13 4.20 -0.93 -0.96 115.11 119.88 3gdn h GLN 515 Ca 0.22 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.69 3gdn h GLN 515 Cb 0.37 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 3gdn h GLN 515 CO 0.00 0.63 -0.16 1.49 -0.67 0.00 0.00 178.83 180.12 3gdn h GLU 516 N 0.60 0.75 0.00 1.46 4.81 -0.59 -2.57 114.58 119.04 3gdn h GLU 516 Ca 0.13 -0.32 -0.04 0.00 -0.13 0.00 0.00 59.36 58.99 3gdn h GLU 516 Cb 0.33 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3gdn h GLU 516 CO 0.01 0.94 -0.20 0.00 -0.73 0.00 0.00 179.01 179.02 3gdn h ARG 517 N 0.54 0.00 -0.15 1.92 2.47 -0.61 -2.35 114.38 116.20 3gdn h ARG 517 Ca 0.08 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.64 3gdn h ARG 517 Cb 0.71 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.03 3gdn h ARG 517 CO 0.05 0.20 -0.55 0.77 0.56 0.00 0.00 179.97 181.00 3gdn h SER 518 N 0.00 0.75 -0.41 7.04 0.02 -0.92 -1.94 113.55 118.08 3gdn h SER 518 Ca -0.00 -0.61 -0.14 0.00 -0.84 0.00 0.00 61.79 60.20 3gdn h SER 518 Cb 0.52 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 3gdn h SER 518 CO 0.03 1.23 -0.27 0.00 -1.14 0.00 0.00 176.83 176.68 3gdn h ALA 519 N 0.54 0.69 -0.01 3.77 0.00 -1.26 -2.87 119.26 120.11 3gdn h ALA 519 Ca -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3gdn h ALA 519 Cb 1.18 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3gdn h ALA 519 CO 0.12 0.67 -0.05 -1.13 0.00 0.00 0.00 179.25 178.85 3gdn n SER 520 N -4.09 0.56 0.00 0.00 3.41 -0.90 -5.13 113.62 107.47 3gdn n SER 520 Ca -0.01 -0.88 0.12 0.00 -0.26 0.00 0.00 58.87 57.84 3gdn n SER 520 Cb 0.48 -0.04 0.71 0.00 -0.26 0.00 0.00 64.21 65.11 3gdn n SER 520 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21