#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag3 s GLN 4 N 0.00 2.93 -0.24 1.57 -2.07 -1.26 -4.96 119.66 115.63 3ag3 s GLN 4 Ca 0.00 1.53 0.13 0.00 -1.82 0.00 0.00 55.36 55.21 3ag3 s GLN 4 Cb 0.00 -1.95 0.46 0.00 -1.09 0.00 0.00 33.01 30.43 3ag3 s GLN 4 CO 0.00 -1.17 1.17 0.25 -1.32 0.00 0.00 175.29 174.22 3ag3 n THR 5 N -2.02 1.94 -4.47 3.63 -2.24 -1.26 -5.00 114.28 104.86 3ag3 n THR 5 Ca 0.11 -3.44 -0.27 0.00 -2.27 0.00 0.00 64.05 58.18 3ag3 n THR 5 Cb 0.51 -0.20 -0.10 0.00 -2.10 0.00 0.00 70.33 68.45 3ag3 n THR 5 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3ag3 s HIS 6 N -3.26 2.53 -2.14 4.78 0.00 -1.26 -5.06 115.29 110.88 3ag3 s HIS 6 Ca 0.41 -0.65 0.21 0.00 -3.00 0.00 0.00 55.06 52.03 3ag3 s HIS 6 Cb 0.38 -1.83 0.56 0.00 -4.00 0.00 0.00 32.58 27.68 3ag3 s HIS 6 CO -0.02 0.36 1.47 0.00 -1.00 0.00 0.00 174.74 175.55 3ag3 n ALA 7 N -1.07 2.41 -2.19 -1.38 0.00 -1.26 -5.00 120.51 112.01 3ag3 n ALA 7 Ca -0.04 -1.09 -0.26 0.00 0.00 0.00 0.00 53.44 52.05 3ag3 n ALA 7 Cb 0.66 -0.94 0.02 0.00 0.00 0.00 0.00 19.45 19.19 3ag3 n ALA 7 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3ag3 s TYR 8 N -1.25 3.33 -0.29 0.00 2.02 -1.26 -4.55 117.35 115.36 3ag3 s TYR 8 Ca 0.42 0.59 -0.10 0.00 -0.37 0.00 0.00 57.07 57.61 3ag3 s TYR 8 Cb 0.23 -2.52 -0.03 0.00 -0.40 0.00 0.00 41.96 39.24 3ag3 s TYR 8 CO 0.30 -0.57 0.15 -1.58 -1.57 0.00 0.00 175.55 172.28 3ag3 s HIS 9 N -2.82 3.17 -0.28 2.71 5.04 -1.26 -5.04 115.29 116.81 3ag3 s HIS 9 Ca 0.51 -0.29 -0.17 0.00 -1.54 0.00 0.00 55.06 53.56 3ag3 s HIS 9 Cb -0.10 -2.34 -0.03 0.00 0.04 0.00 0.00 32.58 30.15 3ag3 s HIS 9 CO 0.43 -0.33 0.48 -1.64 -2.34 0.00 0.00 174.74 171.34 3ag3 s MET 10 N 1.67 3.99 0.14 2.88 -1.94 -1.26 -5.04 119.30 119.73 3ag3 s MET 10 Ca 0.06 0.18 -0.17 0.00 -1.71 0.00 0.00 55.69 54.05 3ag3 s MET 10 Cb -0.16 -3.68 -0.07 0.00 2.01 0.00 0.00 34.83 32.93 3ag3 s MET 10 CO 0.07 -0.38 0.59 0.08 -0.01 0.00 0.00 175.02 175.37 3ag3 s VAL 11 N 2.27 4.76 0.52 -6.03 1.01 -1.26 -5.04 120.40 116.63 3ag3 s VAL 11 Ca 0.19 1.05 -0.20 0.00 0.00 0.00 0.00 61.98 63.03 3ag3 s VAL 11 Cb -0.16 -3.82 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 3ag3 s VAL 11 CO 0.10 0.34 1.10 0.20 0.00 0.00 0.00 175.10 176.84 3ag3 s ASN 12 N -1.50 5.93 0.29 3.32 0.02 -1.26 -4.90 114.94 116.84 3ag3 s ASN 12 Ca 0.36 2.09 -0.29 0.00 -1.02 0.00 0.00 52.86 54.00 3ag3 s ASN 12 Cb -0.17 -2.57 -0.13 0.00 0.02 0.00 0.00 41.25 38.40 3ag3 s ASN 12 CO 0.19 -1.07 1.23 -2.65 0.02 0.00 0.00 177.10 174.82 3ag3 n PRO 13 N -1.20 1.81 -4.00 -0.60 -0.02 -1.26 -4.95 135.00 124.79 3ag3 n PRO 13 Ca 0.11 0.64 -0.13 0.00 -2.02 0.00 0.00 63.50 62.09 3ag3 n PRO 13 Cb 0.51 -2.17 -0.14 0.00 -0.02 0.00 0.00 33.50 31.68 3ag3 n PRO 13 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ag3 s SER 14 N -0.21 0.29 0.00 2.55 0.15 -1.26 -5.04 113.70 110.18 3ag3 s SER 14 Ca 0.61 -0.08 0.28 0.00 0.70 0.00 0.00 55.95 57.46 3ag3 s SER 14 Cb -0.65 -0.02 1.15 0.00 -1.71 0.00 0.00 66.02 64.79 3ag3 s SER 14 CO 0.58 0.01 1.82 -0.81 1.20 0.00 0.00 173.24 176.04 3ag3 n PRO 15 N 2.90 0.45 0.06 5.44 -0.04 -1.26 -4.39 135.00 138.16 3ag3 n PRO 15 Ca -0.13 -0.14 -0.06 0.00 -0.04 0.00 0.00 63.50 63.12 3ag3 n PRO 15 Cb 0.59 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.66 3ag3 n PRO 15 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3ag3 h TRP 16 N 0.35 0.44 -0.20 0.54 -0.00 -1.96 -1.15 115.95 113.98 3ag3 h TRP 16 Ca 0.00 -0.16 0.05 0.00 -0.00 0.00 0.00 58.89 58.78 3ag3 h TRP 16 Cb 0.40 -0.08 -0.05 0.00 -0.00 0.00 0.00 29.16 29.43 3ag3 h TRP 16 CO 0.00 0.83 -0.11 -1.35 -0.00 0.00 0.00 178.44 177.81 3ag3 h PRO 17 N 0.27 -0.10 -0.55 0.49 0.11 -1.98 0.35 132.00 130.59 3ag3 h PRO 17 Ca 0.00 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 3ag3 h PRO 17 Cb 1.07 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3ag3 h PRO 17 CO 0.09 -0.06 0.22 1.25 -0.21 0.00 0.00 178.00 179.30 3ag3 h LEU 18 N -0.10 0.75 -0.98 2.35 5.85 -1.78 0.56 115.31 121.96 3ag3 h LEU 18 Ca 0.11 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 3ag3 h LEU 18 Cb 0.26 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3ag3 h LEU 18 CO -0.26 0.71 -0.16 0.71 -0.34 0.00 0.00 178.44 179.10 3ag3 h THR 19 N 0.74 1.25 -0.45 1.05 1.35 -0.84 0.78 112.91 116.79 3ag3 h THR 19 Ca 0.18 -1.13 -0.11 0.00 -0.55 0.00 0.00 66.41 64.80 3ag3 h THR 19 Cb 0.19 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 67.78 3ag3 h THR 19 CO -0.02 0.37 -0.15 1.23 -0.25 0.00 0.00 175.52 176.70 3ag3 h GLY 20 N 0.97 0.93 1.15 5.82 0.00 -0.03 0.17 103.07 112.07 3ag3 h GLY 20 Ca 0.09 -0.75 -0.15 0.00 0.00 0.00 0.00 47.33 46.51 3ag3 h GLY 20 CO 0.04 0.69 -0.34 0.00 0.00 0.00 0.00 176.54 176.92 3ag3 h ALA 21 N 1.06 0.62 -0.11 3.60 0.00 -0.28 -1.70 119.26 122.46 3ag3 h ALA 21 Ca 0.12 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 3ag3 h ALA 21 Cb 0.67 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3ag3 h ALA 21 CO 0.05 0.68 -0.65 -0.07 0.00 0.00 0.00 179.25 179.25 3ag3 h LEU 22 N 0.78 0.48 -1.39 0.00 3.38 -0.65 -2.22 115.31 115.69 3ag3 h LEU 22 Ca 0.07 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.78 3ag3 h LEU 22 Cb 0.93 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3ag3 h LEU 22 CO 0.09 1.00 0.43 0.77 0.09 0.00 0.00 178.44 180.82 3ag3 h SER 23 N 0.30 0.70 0.04 -0.43 4.64 -0.47 0.11 113.55 118.44 3ag3 h SER 23 Ca -0.02 -0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 61.08 3ag3 h SER 23 Cb 1.21 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3ag3 h SER 23 CO 0.11 0.49 -0.77 0.00 -0.87 0.00 0.00 176.83 175.79 3ag3 h ALA 24 N 1.61 0.43 -0.79 5.18 0.00 -0.94 -0.28 119.26 124.47 3ag3 h ALA 24 Ca 0.25 -0.61 0.04 0.00 0.00 0.00 0.00 54.91 54.60 3ag3 h ALA 24 Cb 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3ag3 h ALA 24 CO -0.06 0.72 0.49 1.25 0.00 0.00 0.00 179.25 181.65 3ag3 h LEU 25 N 0.42 0.79 -0.44 0.00 5.85 -0.81 -1.64 115.31 119.48 3ag3 h LEU 25 Ca -0.05 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.53 3ag3 h LEU 25 Cb 1.38 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 3ag3 h LEU 25 CO 0.15 0.53 -0.35 -0.07 -0.34 0.00 0.00 178.44 178.36 3ag3 h LEU 26 N 0.93 0.99 -0.82 2.25 3.38 -0.44 0.82 115.31 122.42 3ag3 h LEU 26 Ca 0.33 -0.43 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 3ag3 h LEU 26 Cb 0.08 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3ag3 h LEU 26 CO -0.14 1.23 -0.29 0.24 0.09 0.00 0.00 178.44 179.57 3ag3 h MET 27 N 0.77 0.56 0.08 1.13 2.86 -0.94 0.75 114.93 120.15 3ag3 h MET 27 Ca 0.07 -0.23 -0.11 0.00 -2.06 0.00 0.00 59.70 57.37 3ag3 h MET 27 Cb 0.93 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.58 3ag3 h MET 27 CO 0.09 0.79 -0.52 1.79 1.06 0.00 0.00 176.91 180.11 3ag3 h THR 28 N 0.48 1.59 -0.87 2.22 1.35 -1.20 0.15 112.91 116.62 3ag3 h THR 28 Ca 0.06 -2.44 0.22 0.00 -0.55 0.00 0.00 66.41 63.70 3ag3 h THR 28 Cb 0.74 3.23 -0.13 0.00 -1.73 0.00 0.00 68.15 70.26 3ag3 h THR 28 CO 0.06 0.66 0.31 0.28 -0.25 0.00 0.00 175.52 176.58 3ag3 h SER 29 N -0.65 0.16 0.55 5.36 0.02 -0.92 -0.80 113.55 117.27 3ag3 h SER 29 Ca -0.10 0.17 -0.26 0.00 -0.84 0.00 0.00 61.79 60.76 3ag3 h SER 29 Cb 1.37 0.20 0.01 0.00 0.14 0.00 0.00 62.40 64.12 3ag3 h SER 29 CO 0.07 -0.08 -1.18 1.23 -1.14 0.00 0.00 176.83 175.74 3ag3 h GLY 30 N 0.30 0.36 1.36 -3.77 0.00 -0.73 0.36 103.07 100.94 3ag3 h GLY 30 Ca 0.55 -0.82 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 3ag3 h GLY 30 CO -0.58 0.72 0.16 1.41 0.00 0.00 0.00 176.54 178.25 3ag3 h LEU 31 N 0.11 0.75 -0.66 3.11 3.38 -0.44 0.33 115.31 121.90 3ag3 h LEU 31 Ca -0.13 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 3ag3 h LEU 31 Cb 1.88 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.41 3ag3 h LEU 31 CO 0.20 0.72 0.29 0.74 0.09 0.00 0.00 178.44 180.47 3ag3 h THR 32 N 0.79 1.23 -0.60 0.22 2.02 -0.75 0.76 112.91 116.59 3ag3 h THR 32 Ca 0.18 -0.69 -0.10 0.00 0.77 0.00 0.00 66.41 66.57 3ag3 h THR 32 Cb 0.24 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 3ag3 h THR 32 CO -0.01 0.28 -0.02 -0.03 0.37 0.00 0.00 175.52 176.11 3ag3 h MET 33 N 0.92 1.07 -0.14 6.66 -1.53 -0.52 0.09 114.93 121.49 3ag3 h MET 33 Ca 0.22 -0.35 -0.05 0.00 -3.44 0.00 0.00 59.70 56.08 3ag3 h MET 33 Cb 0.17 -0.09 -0.00 0.00 -0.55 0.00 0.00 31.60 31.12 3ag3 h MET 33 CO -0.02 1.05 -0.12 2.35 0.14 0.00 0.00 176.91 180.31 3ag3 h TRP 34 N 0.97 0.38 0.00 1.39 7.01 -0.56 0.28 115.95 125.42 3ag3 h TRP 34 Ca 0.17 -0.11 -0.12 0.00 2.11 0.00 0.00 58.89 60.94 3ag3 h TRP 34 Cb 0.58 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 3ag3 h TRP 34 CO 0.04 0.70 -0.55 0.74 -2.79 0.00 0.00 178.44 176.58 3ag3 h PHE 35 N -0.05 0.00 -0.00 2.65 0.04 -0.66 -3.36 116.94 115.56 3ag3 h PHE 35 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3ag3 h PHE 35 Cb 0.63 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.78 3ag3 h PHE 35 CO 0.08 0.55 -0.07 0.72 -0.60 0.00 0.00 178.31 178.99 3ag3 n HIS 36 N -3.69 0.00 -2.16 -0.55 8.25 0.00 -4.79 115.22 112.28 3ag3 n HIS 36 Ca -0.01 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.47 3ag3 n HIS 36 Cb 0.60 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.72 3ag3 n HIS 36 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3ag3 n PHE 37 N -1.00 0.00 -4.33 4.41 3.72 0.03 -5.02 117.46 115.26 3ag3 n PHE 37 Ca 0.00 -0.20 -0.36 0.00 -0.05 0.00 0.00 57.45 56.85 3ag3 n PHE 37 Cb 0.02 -0.09 -0.06 0.00 -0.94 0.00 0.00 39.48 38.41 3ag3 n PHE 37 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3ag3 n ASN 38 N 0.15 -1.25 -3.77 4.37 5.15 -0.85 -4.86 115.26 114.21 3ag3 n ASN 38 Ca 0.02 -1.17 -0.13 0.00 -0.60 0.00 0.00 54.58 52.71 3ag3 n ASN 38 Cb 0.86 -2.08 -0.10 0.00 -0.53 0.00 0.00 39.78 37.93 3ag3 n ASN 38 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3ag3 s SER 39 N -3.71 -0.25 0.00 1.20 0.15 -0.99 -4.99 113.70 105.10 3ag3 s SER 39 Ca 0.48 0.36 0.18 0.00 0.70 0.00 0.00 55.95 57.67 3ag3 s SER 39 Cb -0.27 0.48 0.26 0.00 -1.71 0.00 0.00 66.02 64.78 3ag3 s SER 39 CO 0.98 -0.27 1.19 0.23 1.20 0.00 0.00 173.24 176.56 3ag3 n MET 40 N 2.11 1.93 0.44 5.44 2.81 -1.26 -2.79 117.12 125.80 3ag3 n MET 40 Ca -0.17 -1.85 -0.20 0.00 -1.81 0.00 0.00 57.70 53.68 3ag3 n MET 40 Cb 0.57 -1.38 -0.10 0.00 -0.71 0.00 0.00 33.22 31.60 3ag3 n MET 40 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3ag3 h THR 41 N 3.48 0.07 -0.91 2.03 2.02 -1.96 -1.04 112.91 116.60 3ag3 h THR 41 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 3ag3 h THR 41 Cb 0.80 0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.22 3ag3 h THR 41 CO 0.00 0.00 0.58 -0.07 0.37 0.00 0.00 175.52 176.40 3ag3 h LEU 42 N -1.18 0.95 -0.42 2.58 3.38 -1.90 -2.22 115.31 116.51 3ag3 h LEU 42 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3ag3 h LEU 42 Cb 0.93 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3ag3 h LEU 42 CO 0.13 0.64 0.26 0.25 0.09 0.00 0.00 178.44 179.81 3ag3 h LEU 43 N 1.10 0.49 -1.00 1.67 5.85 -1.67 0.11 115.31 121.86 3ag3 h LEU 43 Ca 0.38 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.10 3ag3 h LEU 43 Cb 0.07 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 3ag3 h LEU 43 CO -0.14 0.38 0.66 0.24 -0.34 0.00 0.00 178.44 179.23 3ag3 h MET 44 N 0.56 1.22 -0.46 1.25 2.86 -0.71 -0.58 114.93 119.07 3ag3 h MET 44 Ca 0.15 -0.07 -0.13 0.00 -2.06 0.00 0.00 59.70 57.59 3ag3 h MET 44 Cb -0.03 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.34 3ag3 h MET 44 CO -0.03 0.81 -0.20 0.82 1.06 0.00 0.00 176.91 179.37 3ag3 h ILE 45 N 1.26 1.27 -0.58 -1.22 2.04 -1.05 -1.90 117.51 117.33 3ag3 h ILE 45 Ca 0.41 -1.36 -0.06 0.00 1.00 0.00 0.00 64.86 64.85 3ag3 h ILE 45 Cb 0.03 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3ag3 h ILE 45 CO -0.13 0.47 0.13 1.23 0.00 0.00 0.00 178.15 179.84 3ag3 h GLY 46 N 0.79 1.00 1.26 5.37 0.00 0.11 -1.48 103.07 110.14 3ag3 h GLY 46 Ca 0.11 -0.64 -0.15 0.00 0.00 0.00 0.00 47.33 46.65 3ag3 h GLY 46 CO 0.06 0.59 -0.39 1.41 0.00 0.00 0.00 176.54 178.21 3ag3 h LEU 47 N 0.84 0.86 -0.30 3.11 3.38 -1.04 0.13 115.31 122.28 3ag3 h LEU 47 Ca 0.18 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3ag3 h LEU 47 Cb 0.36 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3ag3 h LEU 47 CO 0.00 1.15 0.07 0.74 0.09 0.00 0.00 178.44 180.49 3ag3 h THR 48 N 0.66 1.22 -0.20 0.22 2.02 -1.12 -1.53 112.91 114.18 3ag3 h THR 48 Ca 0.05 -0.73 -0.10 0.00 0.77 0.00 0.00 66.41 66.41 3ag3 h THR 48 Cb 0.96 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 3ag3 h THR 48 CO 0.09 0.24 -0.30 0.71 0.37 0.00 0.00 175.52 176.64 3ag3 h THR 49 N 0.32 1.27 -0.28 3.16 1.35 -1.16 -0.19 112.91 117.38 3ag3 h THR 49 Ca 0.09 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 3ag3 h THR 49 Cb 0.30 1.45 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 3ag3 h THR 49 CO 0.00 0.41 0.18 -1.13 -0.25 0.00 0.00 175.52 174.73 3ag3 h ASN 50 N 0.34 0.32 -0.06 5.36 -1.24 -0.84 0.11 115.58 119.56 3ag3 h ASN 50 Ca 0.05 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.04 3ag3 h ASN 50 Cb 0.69 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 39.66 3ag3 h ASN 50 CO 0.05 0.24 0.03 0.24 -1.29 0.00 0.00 177.43 176.70 3ag3 h MET 51 N 0.37 0.09 -0.63 6.67 2.86 -1.12 -1.23 114.93 121.94 3ag3 h MET 51 Ca 0.10 -0.02 0.12 0.00 -2.06 0.00 0.00 59.70 57.85 3ag3 h MET 51 Cb -0.04 -0.02 -0.09 0.00 0.06 0.00 0.00 31.60 31.52 3ag3 h MET 51 CO -0.02 0.21 0.14 -0.07 1.06 0.00 0.00 176.91 178.23 3ag3 h LEU 52 N -0.05 -0.00 0.25 1.22 3.38 -0.93 -1.12 115.31 118.06 3ag3 h LEU 52 Ca 0.02 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3ag3 h LEU 52 Cb 0.15 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3ag3 h LEU 52 CO -0.00 -0.00 -0.12 0.74 0.09 0.00 0.00 178.44 179.15 3ag3 h THR 53 N 0.26 0.79 -0.66 0.22 2.02 -0.52 -1.55 112.91 113.47 3ag3 h THR 53 Ca 0.34 -0.18 -0.07 0.00 0.77 0.00 0.00 66.41 67.27 3ag3 h THR 53 Cb 0.52 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 3ag3 h THR 53 CO -0.43 0.04 0.14 0.24 0.37 0.00 0.00 175.52 175.88 3ag3 h MET 54 N -0.42 1.05 0.26 6.66 2.86 -1.10 0.12 114.93 124.37 3ag3 h MET 54 Ca -0.03 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 3ag3 h MET 54 Cb 0.32 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3ag3 h MET 54 CO 0.06 0.94 -0.13 -0.92 1.06 0.00 0.00 176.91 177.92 3ag3 h TYR 55 N 1.00 -0.34 -0.06 -0.22 3.20 -0.98 -1.49 116.97 118.07 3ag3 h TYR 55 Ca 0.21 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.92 3ag3 h TYR 55 Cb 0.38 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 3ag3 h TYR 55 CO 0.03 -0.21 -0.63 1.96 -1.64 0.00 0.00 178.16 177.66 3ag3 h GLN 56 N -0.36 0.23 0.10 1.82 4.20 -1.15 0.45 115.11 120.39 3ag3 h GLN 56 Ca -0.03 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.50 3ag3 h GLN 56 Cb 0.28 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3ag3 h GLN 56 CO 0.05 0.79 -0.05 2.35 -0.67 0.00 0.00 178.83 181.31 3ag3 h TRP 57 N 0.17 -0.12 0.00 2.96 2.91 -0.66 -1.12 115.95 120.09 3ag3 h TRP 57 Ca -0.01 -0.00 -0.12 0.00 1.13 0.00 0.00 58.89 59.89 3ag3 h TRP 57 Cb 1.15 0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 29.82 3ag3 h TRP 57 CO 0.02 0.21 -0.56 -1.49 -1.03 0.00 0.00 178.44 175.59 3ag3 h TRP 58 N -0.45 0.00 -0.95 2.65 6.55 -1.30 -1.46 115.95 120.99 3ag3 h TRP 58 Ca -0.01 0.00 0.14 0.00 0.95 0.00 0.00 58.89 59.97 3ag3 h TRP 58 Cb 0.38 0.00 -0.09 0.00 -0.86 0.00 0.00 29.16 28.59 3ag3 h TRP 58 CO 0.03 0.56 0.56 -0.09 -1.05 0.00 0.00 178.44 178.45 3ag3 h ARG 59 N 0.00 0.80 -0.16 0.49 2.43 -0.79 -1.70 114.38 115.46 3ag3 h ARG 59 Ca -0.01 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 58.96 3ag3 h ARG 59 Cb 1.02 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 3ag3 h ARG 59 CO 0.07 0.53 -0.56 -0.44 -1.51 0.00 0.00 179.97 178.06 3ag3 h ASP 60 N 0.83 0.54 -0.40 -3.80 3.32 -0.19 0.23 116.42 116.94 3ag3 h ASP 60 Ca 0.50 -0.29 -0.07 0.00 0.02 0.00 0.00 57.03 57.19 3ag3 h ASP 60 Cb 0.62 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 3ag3 h ASP 60 CO -0.32 0.99 0.02 0.58 -1.72 0.00 0.00 179.24 178.80 3ag3 h VAL 61 N 0.37 1.24 -0.24 -1.35 2.07 -1.07 0.45 116.25 117.71 3ag3 h VAL 61 Ca 0.00 -0.96 -0.15 0.00 0.82 0.00 0.00 66.70 66.42 3ag3 h VAL 61 Cb 1.10 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3ag3 h VAL 61 CO 0.10 0.34 -0.43 0.40 0.02 0.00 0.00 177.57 178.00 3ag3 h ILE 62 N 0.74 1.31 -0.71 4.57 2.04 -0.36 -1.96 117.51 123.13 3ag3 h ILE 62 Ca 0.15 -1.64 0.08 0.00 1.00 0.00 0.00 64.86 64.45 3ag3 h ILE 62 Cb 0.42 1.75 -0.06 0.00 -0.74 0.00 0.00 36.82 38.18 3ag3 h ILE 62 CO 0.02 0.52 0.38 0.03 0.00 0.00 0.00 178.15 179.10 3ag3 h ARG 63 N 0.45 0.66 0.00 2.37 3.08 0.03 -1.02 114.38 119.96 3ag3 h ARG 63 Ca 0.01 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 3ag3 h ARG 63 Cb 1.03 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 3ag3 h ARG 63 CO 0.10 0.44 -0.17 0.93 -1.07 0.00 0.00 179.97 180.19 3ag3 h GLU 64 N 0.68 0.00 0.00 0.04 5.08 0.11 -0.09 114.58 120.40 3ag3 h GLU 64 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3ag3 h GLU 64 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3ag3 h GLU 64 CO -0.22 0.17 -0.38 -1.13 -1.00 0.00 0.00 179.01 176.45 3ag3 n SER 65 N -3.90 0.84 -0.34 1.42 3.41 -0.76 -0.96 113.62 113.33 3ag3 n SER 65 Ca -0.02 0.14 -0.04 0.00 -0.26 0.00 0.00 58.87 58.69 3ag3 n SER 65 Cb 0.26 -0.53 0.09 0.00 -0.26 0.00 0.00 64.21 63.78 3ag3 n SER 65 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3ag3 h THR 66 N -0.38 1.26 0.00 6.66 2.02 -1.39 -1.61 112.91 119.47 3ag3 h THR 66 Ca 0.00 -0.63 -0.36 0.00 0.77 0.00 0.00 66.41 66.19 3ag3 h THR 66 Cb 0.38 0.01 -0.07 0.00 -1.74 0.00 0.00 68.15 66.73 3ag3 h THR 66 CO 0.00 0.29 -2.30 0.49 0.37 0.00 0.00 175.52 174.37 3ag3 n PHE 67 N -4.33 0.15 0.37 3.16 0.99 -1.03 -4.55 117.46 112.22 3ag3 n PHE 67 Ca 0.10 0.05 0.04 0.00 -0.00 0.00 0.00 57.45 57.64 3ag3 n PHE 67 Cb 0.09 -1.03 -0.04 0.00 -1.00 0.00 0.00 39.48 37.50 3ag3 n PHE 67 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3ag3 n GLN 68 N -2.84 4.33 -1.07 -1.08 6.02 -0.07 -5.01 117.38 117.65 3ag3 n GLN 68 Ca -0.32 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.66 3ag3 n GLN 68 Cb 1.13 -0.88 0.00 0.00 1.02 0.00 0.00 30.24 31.51 3ag3 n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ag3 n GLY 69 N 1.18 0.39 0.06 1.08 0.00 -0.61 -4.95 105.19 102.35 3ag3 n GLY 69 Ca 0.02 -1.06 0.14 0.00 0.00 0.00 0.00 46.02 45.12 3ag3 n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ag3 n HIS 70 N -3.07 0.00 -2.92 1.61 8.25 -0.14 -4.44 115.22 114.51 3ag3 n HIS 70 Ca 0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.02 3ag3 n HIS 70 Cb 0.05 -0.27 -0.01 0.00 1.12 0.00 0.00 29.99 30.88 3ag3 n HIS 70 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3ag3 s HIS 71 N -2.66 3.31 1.09 4.41 3.76 -1.26 -4.74 115.29 119.20 3ag3 s HIS 71 Ca 0.24 -1.79 -0.15 0.00 -0.15 0.00 0.00 55.06 53.21 3ag3 s HIS 71 Cb 0.20 -4.32 0.23 0.00 1.11 0.00 0.00 32.58 29.80 3ag3 s HIS 71 CO 0.51 -1.45 1.09 0.95 -0.85 0.00 0.00 174.74 174.99 3ag3 s THR 72 N 2.16 1.86 0.47 1.30 -4.23 -1.26 -4.70 115.64 111.24 3ag3 s THR 72 Ca 0.39 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 61.02 3ag3 s THR 72 Cb -0.03 -2.45 0.28 0.00 1.34 0.00 0.00 72.50 71.64 3ag3 s THR 72 CO -0.04 0.00 2.09 -0.65 -0.54 0.00 0.00 174.62 175.48 3ag3 h PRO 73 N -2.22 0.26 -0.51 3.99 0.11 -1.94 -0.33 132.00 131.38 3ag3 h PRO 73 Ca -0.52 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.44 3ag3 h PRO 73 Cb 1.32 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3ag3 h PRO 73 CO 0.50 0.18 -0.18 0.00 -0.21 0.00 0.00 178.00 178.28 3ag3 h ALA 74 N 1.85 0.72 -0.56 -0.75 0.00 -1.91 -0.45 119.26 118.15 3ag3 h ALA 74 Ca 0.10 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 3ag3 h ALA 74 Cb 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3ag3 h ALA 74 CO -0.02 0.68 0.17 0.28 0.00 0.00 0.00 179.25 180.36 3ag3 h VAL 75 N 0.88 1.24 -0.59 0.00 2.07 -1.50 -2.07 116.25 116.29 3ag3 h VAL 75 Ca 0.12 -0.81 -0.10 0.00 0.82 0.00 0.00 66.70 66.73 3ag3 h VAL 75 Cb 0.76 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3ag3 h VAL 75 CO 0.06 0.30 -0.02 -0.61 0.02 0.00 0.00 177.57 177.33 3ag3 h GLN 76 N 0.78 1.04 -0.53 1.57 4.15 -0.89 -1.68 115.11 119.55 3ag3 h GLN 76 Ca 0.18 -0.33 -0.07 0.00 0.77 0.00 0.00 58.65 59.19 3ag3 h GLN 76 Cb 0.29 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 3ag3 h GLN 76 CO -0.00 1.03 0.03 -0.22 -1.93 0.00 0.00 178.83 177.74 3ag3 h LYS 77 N 0.95 0.88 -0.61 1.69 3.11 -0.84 -1.27 116.57 120.47 3ag3 h LYS 77 Ca 0.17 -0.23 -0.03 0.00 -2.81 0.00 0.00 60.65 57.74 3ag3 h LYS 77 Cb 0.57 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.67 3ag3 h LYS 77 CO 0.03 0.86 0.25 0.78 -2.81 0.00 0.00 179.45 178.56 3ag3 h GLY 78 N 0.99 0.97 1.68 5.01 0.00 -0.83 -2.05 103.07 108.85 3ag3 h GLY 78 Ca 0.16 -0.53 0.02 0.00 0.00 0.00 0.00 47.33 46.98 3ag3 h GLY 78 CO 0.02 0.50 0.18 1.41 0.00 0.00 0.00 176.54 178.65 3ag3 h LEU 79 N 0.85 0.26 -0.05 3.11 3.38 -0.77 0.20 115.31 122.29 3ag3 h LEU 79 Ca 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3ag3 h LEU 79 Cb 0.20 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3ag3 h LEU 79 CO -0.02 0.18 0.00 0.03 0.09 0.00 0.00 178.44 178.73 3ag3 h ARG 80 N 0.30 0.08 -0.51 1.13 3.08 -0.82 -0.62 114.38 117.02 3ag3 h ARG 80 Ca 0.11 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.20 3ag3 h ARG 80 Cb 0.06 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 3ag3 h ARG 80 CO -0.02 0.36 0.18 1.88 -1.07 0.00 0.00 179.97 181.30 3ag3 h TYR 81 N -0.20 0.31 -0.64 3.04 0.05 -0.96 -0.94 116.97 117.63 3ag3 h TYR 81 Ca 0.01 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 3ag3 h TYR 81 Cb 0.32 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.96 3ag3 h TYR 81 CO 0.03 0.10 0.30 0.78 -1.05 0.00 0.00 178.16 178.32 3ag3 h GLY 82 N 0.36 0.97 1.31 3.88 0.00 -0.31 -0.17 103.07 109.10 3ag3 h GLY 82 Ca 0.24 -0.46 -0.19 0.00 0.00 0.00 0.00 47.33 46.92 3ag3 h GLY 82 CO -0.25 0.44 -0.65 1.98 0.00 0.00 0.00 176.54 178.06 3ag3 h MET 83 N 0.90 0.70 -0.27 4.80 1.85 -0.74 -0.70 114.93 121.47 3ag3 h MET 83 Ca 0.22 -0.50 -0.01 0.00 -0.61 0.00 0.00 59.70 58.80 3ag3 h MET 83 Cb 0.11 0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.20 3ag3 h MET 83 CO -0.03 1.12 0.14 0.82 -0.40 0.00 0.00 176.91 178.57 3ag3 h ILE 84 N 0.51 1.14 -0.77 1.77 2.04 -0.72 -0.58 117.51 120.90 3ag3 h ILE 84 Ca -0.01 -0.38 0.05 0.00 1.00 0.00 0.00 64.86 65.51 3ag3 h ILE 84 Cb 1.24 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 3ag3 h ILE 84 CO 0.13 0.14 0.47 -0.07 0.00 0.00 0.00 178.15 178.82 3ag3 h LEU 85 N 0.32 0.75 -0.49 1.44 3.38 -0.98 -0.89 115.31 118.84 3ag3 h LEU 85 Ca 0.10 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3ag3 h LEU 85 Cb 0.09 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3ag3 h LEU 85 CO -0.01 0.50 -0.04 0.15 0.09 0.00 0.00 178.44 179.13 3ag3 h PHE 86 N 0.89 0.97 -0.55 1.13 3.57 -0.79 -1.50 116.94 120.66 3ag3 h PHE 86 Ca 0.33 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 3ag3 h PHE 86 Cb 0.11 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 3ag3 h PHE 86 CO -0.04 0.93 0.28 0.82 -2.23 0.00 0.00 178.31 178.07 3ag3 h ILE 87 N 0.74 1.18 -0.33 1.41 2.04 -0.70 -1.40 117.51 120.44 3ag3 h ILE 87 Ca 0.13 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 3ag3 h ILE 87 Cb 0.57 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3ag3 h ILE 87 CO 0.03 0.20 0.13 0.40 0.00 0.00 0.00 178.15 178.92 3ag3 h ILE 88 N 0.77 1.18 -0.88 -0.67 2.04 -0.70 0.10 117.51 119.35 3ag3 h ILE 88 Ca 0.20 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.53 3ag3 h ILE 88 Cb 0.05 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 3ag3 h ILE 88 CO -0.03 0.20 0.58 0.77 0.00 0.00 0.00 178.15 179.67 3ag3 h SER 89 N 0.39 0.96 -0.52 1.72 4.64 -0.54 -1.82 113.55 118.37 3ag3 h SER 89 Ca 0.11 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.30 3ag3 h SER 89 Cb 0.18 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 3ag3 h SER 89 CO -0.01 0.66 -0.11 -0.33 -0.87 0.00 0.00 176.83 176.17 3ag3 h GLU 90 N 1.11 1.02 -0.19 4.77 4.39 -0.23 -0.92 114.58 124.54 3ag3 h GLU 90 Ca 0.35 -0.38 0.04 0.00 0.34 0.00 0.00 59.36 59.72 3ag3 h GLU 90 Cb 0.00 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 3ag3 h GLU 90 CO -0.10 1.06 -0.09 0.28 -1.16 0.00 0.00 179.01 179.00 3ag3 h VAL 91 N 0.90 0.72 -0.77 3.13 2.07 -0.37 -2.03 116.25 119.90 3ag3 h VAL 91 Ca 0.14 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 3ag3 h VAL 91 Cb 0.68 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 3ag3 h VAL 91 CO 0.05 0.00 0.36 -0.07 0.02 0.00 0.00 177.57 177.93 3ag3 h LEU 92 N -0.06 1.01 0.05 2.57 -0.00 -1.11 0.12 115.31 117.88 3ag3 h LEU 92 Ca 0.10 -0.12 0.03 0.00 -0.00 0.00 0.00 57.88 57.89 3ag3 h LEU 92 Cb 0.22 -0.26 -0.05 0.00 -0.00 0.00 0.00 40.66 40.57 3ag3 h LEU 92 CO -0.23 0.86 -0.39 0.15 -0.00 0.00 0.00 178.44 178.83 3ag3 h PHE 93 N 1.10 -1.10 -0.71 1.13 3.57 -0.99 -2.37 116.94 117.57 3ag3 h PHE 93 Ca 0.26 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.85 3ag3 h PHE 93 Cb 0.13 0.48 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 3ag3 h PHE 93 CO 0.01 -0.48 0.47 0.74 -2.23 0.00 0.00 178.31 176.82 3ag3 h PHE 94 N -0.58 0.76 -0.72 0.41 -1.00 -0.99 -2.08 116.94 112.74 3ag3 h PHE 94 Ca 0.04 0.02 0.10 0.00 2.81 0.00 0.00 57.97 60.94 3ag3 h PHE 94 Cb 0.64 -0.25 -0.05 0.00 3.61 0.00 0.00 35.95 39.90 3ag3 h PHE 94 CO -0.38 0.41 0.48 1.15 -1.61 0.00 0.00 178.31 178.36 3ag3 h THR 95 N 0.76 0.92 -0.82 -1.55 2.02 -0.27 -0.14 112.91 113.83 3ag3 h THR 95 Ca 0.30 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 67.32 3ag3 h THR 95 Cb 0.21 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 66.84 3ag3 h THR 95 CO -0.10 0.11 0.51 1.23 0.37 0.00 0.00 175.52 177.65 3ag3 h GLY 96 N 0.60 1.21 1.71 2.16 0.00 -1.01 0.87 103.07 108.62 3ag3 h GLY 96 Ca 0.33 -0.38 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 3ag3 h GLY 96 CO -0.12 0.29 -0.74 0.74 0.00 0.00 0.00 176.54 176.71 3ag3 h PHE 97 N 0.97 0.38 0.00 5.60 0.04 -1.09 -1.17 116.94 121.68 3ag3 h PHE 97 Ca 0.34 -0.18 -0.13 0.00 2.80 0.00 0.00 57.97 60.81 3ag3 h PHE 97 Cb 0.09 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 3ag3 h PHE 97 CO -0.03 0.92 -0.60 0.74 -0.60 0.00 0.00 178.31 178.74 3ag3 h PHE 98 N 0.18 0.00 -0.31 -0.55 0.04 -0.72 -1.57 116.94 114.02 3ag3 h PHE 98 Ca -0.03 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.67 3ag3 h PHE 98 Cb 1.31 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.45 3ag3 h PHE 98 CO 0.03 0.60 -0.09 2.35 -0.60 0.00 0.00 178.31 180.60 3ag3 h TRP 99 N 0.00 0.69 -0.49 -0.55 2.91 -0.56 0.77 115.95 118.72 3ag3 h TRP 99 Ca -0.01 -0.15 0.04 0.00 1.13 0.00 0.00 58.89 59.90 3ag3 h TRP 99 Cb 1.09 -0.17 -0.04 0.00 -0.51 0.00 0.00 29.16 29.53 3ag3 h TRP 99 CO 0.00 0.80 0.25 0.00 -1.03 0.00 0.00 178.44 178.46 3ag3 h ALA 100 N 0.79 0.63 -0.03 2.65 0.00 -1.03 -0.15 119.26 122.11 3ag3 h ALA 100 Ca 0.08 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ag3 h ALA 100 Cb 0.59 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3ag3 h ALA 100 CO 0.03 -0.10 0.01 0.35 0.00 0.00 0.00 179.25 179.55 3ag3 h PHE 101 N 0.49 0.05 -0.63 0.00 3.57 -0.86 -2.01 116.94 117.54 3ag3 h PHE 101 Ca 0.22 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 3ag3 h PHE 101 Cb 0.12 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 3ag3 h PHE 101 CO -0.10 0.16 0.12 1.88 -2.23 0.00 0.00 178.31 178.14 3ag3 h TYR 102 N -0.08 1.07 -0.81 0.41 -1.99 -0.56 -0.99 116.97 114.01 3ag3 h TYR 102 Ca 0.01 -0.13 0.01 0.00 2.00 0.00 0.00 58.73 60.62 3ag3 h TYR 102 Cb 0.13 -0.30 -0.04 0.00 2.00 0.00 0.00 36.73 38.52 3ag3 h TYR 102 CO -0.03 0.89 0.53 1.25 -0.00 0.00 0.00 178.16 180.81 3ag3 h HIS 103 N 0.96 1.01 0.19 4.88 2.76 -0.86 -0.69 115.15 123.41 3ag3 h HIS 103 Ca 0.20 0.02 -0.31 0.00 -2.20 0.00 0.00 60.37 58.08 3ag3 h HIS 103 Cb 0.39 -0.34 0.03 0.00 1.55 0.00 0.00 27.41 29.03 3ag3 h HIS 103 CO 0.03 0.64 -1.36 0.77 -1.30 0.00 0.00 177.93 176.70 3ag3 h SER 104 N 1.09 0.75 0.91 3.26 0.02 -1.09 -3.28 113.55 115.22 3ag3 h SER 104 Ca 0.30 -0.78 -0.15 0.00 -0.84 0.00 0.00 61.79 60.32 3ag3 h SER 104 Cb -0.12 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.15 3ag3 h SER 104 CO -0.06 1.60 -1.16 0.77 -1.14 0.00 0.00 176.83 176.83 3ag3 h SER 105 N 0.16 0.00 0.96 3.07 4.64 -1.07 -3.23 113.55 118.08 3ag3 h SER 105 Ca -0.21 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.06 3ag3 h SER 105 Cb 2.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.14 3ag3 h SER 105 CO 0.25 0.54 -0.25 -0.07 -0.87 0.00 0.00 176.83 176.43 3ag3 h LEU 106 N 0.00 0.00 -6.00 5.97 3.38 -1.26 -3.37 115.31 114.02 3ag3 h LEU 106 Ca -0.11 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.30 3ag3 h LEU 106 Cb 1.51 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.87 3ag3 h LEU 106 CO 0.05 0.25 -1.10 0.00 0.09 0.00 0.00 178.44 177.73 3ag3 n ALA 107 N -2.23 2.46 -1.88 1.53 0.00 -1.23 -5.10 120.51 114.06 3ag3 n ALA 107 Ca 0.00 -3.44 -0.42 0.00 0.00 0.00 0.00 53.44 49.58 3ag3 n ALA 107 Cb 0.45 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 3ag3 n ALA 107 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ag3 s PRO 108 N -1.29 4.22 0.79 0.00 0.04 -1.22 -4.86 135.00 132.67 3ag3 s PRO 108 Ca 0.35 2.38 -0.12 0.00 0.04 0.00 0.00 61.00 63.66 3ag3 s PRO 108 Cb 0.18 -3.12 0.07 0.00 0.04 0.00 0.00 34.50 31.67 3ag3 s PRO 108 CO -0.11 -0.55 1.12 0.95 0.04 0.00 0.00 177.00 178.45 3ag3 s THR 109 N 0.59 2.85 0.51 1.26 -4.23 -1.26 -4.40 115.64 110.97 3ag3 s THR 109 Ca 0.66 0.28 0.20 0.00 -1.18 0.00 0.00 61.69 61.64 3ag3 s THR 109 Cb -0.44 -3.14 0.34 0.00 1.34 0.00 0.00 72.50 70.60 3ag3 s THR 109 CO 0.38 -0.36 2.05 -0.65 -0.54 0.00 0.00 174.62 175.50 3ag3 h PRO 110 N -1.02 0.06 0.00 3.99 0.11 -1.94 -0.95 132.00 132.25 3ag3 h PRO 110 Ca -0.47 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3ag3 h PRO 110 Cb 1.28 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 3ag3 h PRO 110 CO 0.62 0.04 -0.16 0.93 -0.21 0.00 0.00 178.00 179.22 3ag3 h GLU 111 N 0.06 0.00 0.00 1.05 3.07 -2.02 -1.02 114.58 115.72 3ag3 h GLU 111 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 3ag3 h GLU 111 Cb 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3ag3 h GLU 111 CO -0.01 0.16 -0.07 1.28 -1.40 0.00 0.00 179.01 178.97 3ag3 n LEU 112 N -4.08 0.57 0.00 1.33 4.77 -0.53 -4.87 117.00 114.19 3ag3 n LEU 112 Ca -0.02 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 3ag3 n LEU 112 Cb 0.24 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3ag3 n LEU 112 CO 0.34 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3ag3 n GLY 113 N 1.37 0.77 2.24 -0.72 0.00 -0.39 -0.90 105.19 107.56 3ag3 n GLY 113 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 3ag3 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag3 n GLY 114 N -0.97 0.58 3.18 -0.02 0.00 -0.48 -4.95 105.19 102.54 3ag3 n GLY 114 Ca 0.00 -0.52 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 3ag3 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag3 s TRP 116 N -3.93 1.41 0.78 0.00 -0.11 -1.26 -3.52 118.94 112.31 3ag3 s TRP 116 Ca 0.11 -0.34 -0.15 0.00 1.22 0.00 0.00 56.10 56.95 3ag3 s TRP 116 Cb 0.06 -0.94 0.02 0.00 -1.50 0.00 0.00 33.47 31.11 3ag3 s TRP 116 CO -0.06 -0.09 0.79 -2.30 -4.62 0.00 0.00 176.95 170.66 3ag3 n PRO 117 N 2.98 0.21 -1.52 5.86 -0.02 -1.26 -4.96 135.00 136.29 3ag3 n PRO 117 Ca -0.16 0.13 -0.36 0.00 -2.02 0.00 0.00 63.50 61.08 3ag3 n PRO 117 Cb 0.54 -2.08 0.08 0.00 -0.02 0.00 0.00 33.50 32.01 3ag3 n PRO 117 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3ag3 n PRO 118 N -1.83 0.77 -1.56 0.52 -0.02 -1.23 -4.92 135.00 126.73 3ag3 n PRO 118 Ca 0.11 0.32 -0.47 0.00 -2.02 0.00 0.00 63.50 61.44 3ag3 n PRO 118 Cb 0.51 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 3ag3 n PRO 118 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3ag3 n THR 119 N -2.23 1.61 0.00 3.45 -1.04 -0.08 -2.15 114.28 113.85 3ag3 n THR 119 Ca 0.14 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 3ag3 n THR 119 Cb 0.49 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 68.20 3ag3 n THR 119 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ag3 n GLY 120 N 1.59 1.29 3.70 3.41 0.00 -1.26 -4.98 105.19 108.94 3ag3 n GLY 120 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3ag3 n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ag3 s ILE 121 N -2.40 5.14 -0.43 -0.61 -1.09 -0.91 -5.06 121.20 115.83 3ag3 s ILE 121 Ca 0.00 0.09 0.01 0.00 -2.23 0.00 0.00 60.65 58.52 3ag3 s ILE 121 Cb 0.00 -3.32 0.12 0.00 -1.58 0.00 0.00 42.46 37.67 3ag3 s ILE 121 CO 0.00 0.46 0.19 -1.00 -1.23 0.00 0.00 174.94 173.36 3ag3 s HIS 122 N 0.26 3.55 0.80 3.97 3.76 -1.26 -4.83 115.29 121.54 3ag3 s HIS 122 Ca 0.06 -2.85 -0.14 0.00 -0.15 0.00 0.00 55.06 51.99 3ag3 s HIS 122 Cb -0.12 -3.02 0.08 0.00 1.11 0.00 0.00 32.58 30.63 3ag3 s HIS 122 CO -0.01 -0.90 1.17 -2.30 -0.85 0.00 0.00 174.74 171.85 3ag3 n PRO 123 N 4.00 0.21 -1.59 8.40 -0.02 -1.26 -4.83 135.00 139.91 3ag3 n PRO 123 Ca 0.03 0.15 -0.35 0.00 -2.02 0.00 0.00 63.50 61.31 3ag3 n PRO 123 Cb 0.39 -2.41 0.08 0.00 -0.02 0.00 0.00 33.50 31.54 3ag3 n PRO 123 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ag3 s LEU 124 N -5.35 3.42 -0.20 2.45 1.43 -1.26 -4.98 118.68 114.19 3ag3 s LEU 124 Ca 0.73 2.39 -0.29 0.00 -1.03 0.00 0.00 54.13 55.93 3ag3 s LEU 124 Cb -0.30 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.33 3ag3 s LEU 124 CO 0.51 -2.08 1.08 0.21 0.23 0.00 0.00 176.35 176.30 3ag3 s ASN 125 N -1.88 7.09 0.14 2.29 3.84 -1.26 -4.91 114.94 120.24 3ag3 s ASN 125 Ca 0.76 1.46 0.20 0.00 0.21 0.00 0.00 52.86 55.49 3ag3 s ASN 125 Cb -0.30 -2.54 0.82 0.00 -0.55 0.00 0.00 41.25 38.67 3ag3 s ASN 125 CO 0.42 -0.66 1.61 -0.81 -2.79 0.00 0.00 177.10 174.86 3ag3 n PRO 126 N 6.21 0.10 0.00 0.43 -0.04 -1.26 -1.47 135.00 138.97 3ag3 n PRO 126 Ca 0.12 0.33 0.14 0.00 -0.04 0.00 0.00 63.50 64.05 3ag3 n PRO 126 Cb 0.46 -1.70 0.50 0.00 -0.04 0.00 0.00 33.50 32.72 3ag3 n PRO 126 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ag3 n LEU 127 N -1.89 1.53 0.00 1.53 7.99 -1.26 -1.77 117.00 123.12 3ag3 n LEU 127 Ca 0.03 -0.50 0.00 0.00 -0.01 0.00 0.00 56.01 55.53 3ag3 n LEU 127 Cb 0.21 -0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.51 3ag3 n LEU 127 CO 0.17 0.26 0.00 -0.62 -1.51 0.00 0.00 177.39 175.69 3ag3 n GLU 128 N 0.17 0.00 -0.01 3.23 1.02 -0.54 -4.63 120.64 119.88 3ag3 n GLU 128 Ca 0.18 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.36 3ag3 n GLU 128 Cb 0.36 0.00 0.42 0.00 -0.02 0.00 0.00 31.44 32.20 3ag3 n GLU 128 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ag3 h VAL 129 N 0.00 1.11 -0.29 2.62 2.07 -1.88 -2.07 116.25 117.81 3ag3 h VAL 129 Ca 0.00 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 3ag3 h VAL 129 Cb 0.00 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3ag3 h VAL 129 CO 0.00 0.10 -0.05 -0.65 0.02 0.00 0.00 177.57 176.99 3ag3 h PRO 130 N 0.57 0.46 -0.53 1.57 0.11 -1.77 0.19 132.00 132.60 3ag3 h PRO 130 Ca 0.15 -0.11 -0.10 0.00 0.11 0.00 0.00 66.00 66.05 3ag3 h PRO 130 Cb -0.06 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 30.96 3ag3 h PRO 130 CO -0.03 0.53 -0.07 1.25 -0.21 0.00 0.00 178.00 179.47 3ag3 h LEU 131 N 0.44 0.98 -0.64 2.35 5.85 -0.78 -1.64 115.31 121.86 3ag3 h LEU 131 Ca 0.09 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.42 3ag3 h LEU 131 Cb 0.37 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3ag3 h LEU 131 CO 0.02 1.08 0.18 0.25 -0.34 0.00 0.00 178.44 179.62 3ag3 h LEU 132 N 0.85 0.95 -1.34 2.25 5.85 -0.66 -1.64 115.31 121.57 3ag3 h LEU 132 Ca 0.14 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.65 3ag3 h LEU 132 Cb 0.62 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 3ag3 h LEU 132 CO 0.04 0.93 0.44 0.78 -0.34 0.00 0.00 178.44 180.28 3ag3 h ASN 133 N 0.94 0.77 -0.43 1.25 2.35 -0.51 0.36 115.58 120.31 3ag3 h ASN 133 Ca 0.20 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 3ag3 h ASN 133 Cb 0.33 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3ag3 h ASN 133 CO -0.00 0.56 0.19 0.74 -1.65 0.00 0.00 177.43 177.27 3ag3 h THR 134 N 0.90 1.19 -0.55 2.81 2.02 -0.62 -1.28 112.91 117.39 3ag3 h THR 134 Ca 0.24 -0.56 -0.05 0.00 0.77 0.00 0.00 66.41 66.81 3ag3 h THR 134 Cb -0.10 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 3ag3 h THR 134 CO -0.05 0.21 0.12 0.77 0.37 0.00 0.00 175.52 176.94 3ag3 h SER 135 N 0.55 0.79 -0.38 4.18 4.64 -0.45 -0.69 113.55 122.19 3ag3 h SER 135 Ca 0.14 -0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3ag3 h SER 135 Cb 0.15 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 3ag3 h SER 135 CO -0.02 0.79 -0.07 0.58 -0.87 0.00 0.00 176.83 177.24 3ag3 h VAL 136 N 0.81 1.27 -0.09 0.95 2.07 -0.51 0.78 116.25 121.55 3ag3 h VAL 136 Ca 0.18 -1.13 -0.19 0.00 0.82 0.00 0.00 66.70 66.38 3ag3 h VAL 136 Cb 0.31 1.23 0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3ag3 h VAL 136 CO 0.00 0.38 -0.68 -0.07 0.02 0.00 0.00 177.57 177.22 3ag3 h LEU 137 N 0.53 0.76 -0.50 2.57 3.38 -1.04 -1.55 115.31 119.44 3ag3 h LEU 137 Ca 0.10 -0.67 0.08 0.00 0.09 0.00 0.00 57.88 57.48 3ag3 h LEU 137 Cb 0.57 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 3ag3 h LEU 137 CO 0.03 1.31 0.15 -0.07 0.09 0.00 0.00 178.44 179.95 3ag3 h LEU 138 N 0.26 0.11 -0.86 1.67 3.38 -1.11 -1.12 115.31 117.65 3ag3 h LEU 138 Ca -0.06 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3ag3 h LEU 138 Cb 1.33 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.11 3ag3 h LEU 138 CO 0.14 0.09 0.56 0.00 0.09 0.00 0.00 178.44 179.32 3ag3 h ALA 139 N 1.36 1.10 0.00 1.53 0.00 -0.62 -1.00 119.26 121.62 3ag3 h ALA 139 Ca 0.25 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3ag3 h ALA 139 Cb 0.29 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ag3 h ALA 139 CO -0.28 0.47 -0.19 0.66 0.00 0.00 0.00 179.25 179.91 3ag3 h SER 140 N 1.14 0.00 -0.53 0.00 4.64 -0.83 0.66 113.55 118.64 3ag3 h SER 140 Ca 0.32 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.59 3ag3 h SER 140 Cb -0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 61.96 3ag3 h SER 140 CO -0.08 0.19 0.16 1.23 -0.87 0.00 0.00 176.83 177.46 3ag3 h GLY 141 N 0.67 0.94 0.48 -0.77 0.00 0.08 0.07 103.07 104.54 3ag3 h GLY 141 Ca -0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 3ag3 h GLY 141 CO 0.02 0.50 -0.01 -2.08 0.00 0.00 0.00 176.54 174.98 3ag3 h VAL 142 N 0.85 1.35 -0.30 4.60 2.07 -0.65 -2.99 116.25 121.18 3ag3 h VAL 142 Ca 0.19 -1.19 -0.13 0.00 0.82 0.00 0.00 66.70 66.39 3ag3 h VAL 142 Cb 0.28 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 3ag3 h VAL 142 CO -0.00 0.30 -0.35 0.77 0.02 0.00 0.00 177.57 178.31 3ag3 h SER 143 N -0.55 0.71 -0.15 0.57 4.64 -0.87 -1.66 113.55 116.25 3ag3 h SER 143 Ca -0.00 -0.30 -0.03 0.00 -0.47 0.00 0.00 61.79 60.99 3ag3 h SER 143 Cb 0.52 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 3ag3 h SER 143 CO 0.01 1.00 0.03 -0.29 -0.87 0.00 0.00 176.83 176.70 3ag3 h ILE 144 N 0.57 1.13 -0.48 0.95 2.10 -1.07 0.50 117.51 121.22 3ag3 h ILE 144 Ca 0.06 -0.49 -0.13 0.00 1.08 0.00 0.00 64.86 65.38 3ag3 h ILE 144 Cb 0.87 0.93 -0.01 0.00 -1.09 0.00 0.00 36.82 37.51 3ag3 h ILE 144 CO 0.08 0.17 -0.23 0.74 -1.08 0.00 0.00 178.15 177.83 3ag3 h THR 145 N 0.33 1.27 -0.41 2.19 2.02 -1.28 -0.86 112.91 116.16 3ag3 h THR 145 Ca 0.08 -1.39 0.06 0.00 0.77 0.00 0.00 66.41 65.92 3ag3 h THR 145 Cb 0.18 1.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.69 3ag3 h THR 145 CO 0.00 0.48 0.12 -0.25 0.37 0.00 0.00 175.52 176.24 3ag3 h TRP 146 N 0.85 0.21 -0.83 3.16 7.01 -0.98 -1.41 115.95 123.95 3ag3 h TRP 146 Ca 0.11 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.20 3ag3 h TRP 146 Cb 0.81 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.78 3ag3 h TRP 146 CO 0.05 0.06 0.51 0.00 -2.79 0.00 0.00 178.44 176.27 3ag3 h ALA 147 N 1.29 1.15 -0.19 2.65 0.00 -0.60 0.29 119.26 123.85 3ag3 h ALA 147 Ca 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3ag3 h ALA 147 Cb 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3ag3 h ALA 147 CO -0.22 0.22 0.02 1.25 0.00 0.00 0.00 179.25 180.52 3ag3 h HIS 148 N 0.91 0.35 -0.21 0.00 -0.00 -0.63 -0.50 115.15 115.07 3ag3 h HIS 148 Ca 0.37 -0.05 -0.08 0.00 -0.00 0.00 0.00 60.37 60.60 3ag3 h HIS 148 Cb 0.20 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 3ag3 h HIS 148 CO -0.04 0.50 -0.23 0.45 -0.00 0.00 0.00 177.93 178.61 3ag3 h HIS 149 N 0.10 0.42 -0.57 5.26 -0.00 -1.01 -1.05 115.15 118.30 3ag3 h HIS 149 Ca 0.06 -0.08 -0.07 0.00 -0.00 0.00 0.00 60.37 60.28 3ag3 h HIS 149 Cb 0.35 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 27.63 3ag3 h HIS 149 CO 0.03 0.59 0.07 0.77 -0.00 0.00 0.00 177.93 179.38 3ag3 h SER 150 N 0.34 0.89 -0.12 2.45 0.02 -0.51 -0.75 113.55 115.88 3ag3 h SER 150 Ca 0.06 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 3ag3 h SER 150 Cb 0.59 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3ag3 h SER 150 CO 0.04 0.92 0.05 0.25 -1.14 0.00 0.00 176.83 176.95 3ag3 h LEU 151 N 0.88 0.16 -1.35 5.07 5.85 -0.51 0.29 115.31 125.70 3ag3 h LEU 151 Ca 0.18 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.83 3ag3 h LEU 151 Cb 0.43 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 3ag3 h LEU 151 CO 0.01 0.26 0.50 0.24 -0.34 0.00 0.00 178.44 179.11 3ag3 h MET 152 N 0.05 0.74 -0.03 1.25 2.86 -0.90 0.19 114.93 119.09 3ag3 h MET 152 Ca 0.04 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3ag3 h MET 152 Cb 0.15 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.64 3ag3 h MET 152 CO -0.00 0.49 0.00 0.39 1.06 0.00 0.00 176.91 178.85 3ag3 n GLU 153 N -4.49 1.40 -0.95 1.72 1.02 -0.31 -4.84 120.64 114.19 3ag3 n GLU 153 Ca 0.12 -0.59 0.00 0.00 -0.02 0.00 0.00 57.16 56.67 3ag3 n GLU 153 Cb 0.26 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 3ag3 n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ag3 n GLY 154 N 1.08 0.45 3.28 0.62 0.00 0.05 -5.00 105.19 105.67 3ag3 n GLY 154 Ca 0.20 -0.97 -0.44 0.00 0.00 0.00 0.00 46.02 44.81 3ag3 n GLY 154 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ag3 s ASP 155 N -2.89 5.97 -0.01 1.61 -1.08 0.89 -4.94 116.67 116.22 3ag3 s ASP 155 Ca 0.00 -1.77 -0.24 0.00 -0.52 0.00 0.00 52.55 50.01 3ag3 s ASP 155 Cb 0.00 -2.12 -0.17 0.00 -1.46 0.00 0.00 42.92 39.17 3ag3 s ASP 155 CO 0.00 -0.76 1.20 -0.09 0.52 0.00 0.00 175.17 176.05 3ag3 h ARG 156 N 8.69 -0.25 -0.43 4.34 2.43 -1.95 -1.36 114.38 125.85 3ag3 h ARG 156 Ca -0.26 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 58.94 3ag3 h ARG 156 Cb 1.09 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.67 3ag3 h ARG 156 CO 0.94 0.11 0.25 -0.22 -1.51 0.00 0.00 179.97 179.54 3ag3 h LYS 157 N -0.67 0.49 0.00 0.20 3.64 -1.97 -1.85 116.57 116.40 3ag3 h LYS 157 Ca -0.03 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.20 3ag3 h LYS 157 Cb 0.48 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3ag3 h LYS 157 CO 0.04 0.32 -0.59 0.45 -2.27 0.00 0.00 179.45 177.40 3ag3 h HIS 158 N 0.50 0.00 -0.26 1.91 3.86 -1.95 -0.13 115.15 119.08 3ag3 h HIS 158 Ca 0.17 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.41 3ag3 h HIS 158 Cb 0.01 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.45 3ag3 h HIS 158 CO -0.07 0.59 0.08 1.98 0.86 0.00 0.00 177.93 181.38 3ag3 h MET 159 N 0.00 0.19 -0.51 2.45 1.85 -0.91 -1.32 114.93 116.68 3ag3 h MET 159 Ca -0.01 -0.01 -0.11 0.00 -0.61 0.00 0.00 59.70 58.96 3ag3 h MET 159 Cb 1.25 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 33.23 3ag3 h MET 159 CO 0.08 0.13 -0.12 -0.07 -0.40 0.00 0.00 176.91 176.52 3ag3 h LEU 160 N 0.20 0.99 -0.32 3.39 3.38 -0.93 0.51 115.31 122.52 3ag3 h LEU 160 Ca 0.12 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 3ag3 h LEU 160 Cb 0.09 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3ag3 h LEU 160 CO -0.12 1.12 0.12 -0.61 0.09 0.00 0.00 178.44 179.04 3ag3 h GLN 161 N 0.85 0.49 -0.52 1.13 4.15 -0.92 0.64 115.11 120.93 3ag3 h GLN 161 Ca 0.13 -0.10 -0.09 0.00 0.77 0.00 0.00 58.65 59.36 3ag3 h GLN 161 Cb 0.69 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.28 3ag3 h GLN 161 CO 0.05 0.51 -0.04 0.00 -1.93 0.00 0.00 178.83 177.42 3ag3 h ALA 162 N 0.96 0.94 -0.23 3.38 0.00 -1.01 -1.32 119.26 121.99 3ag3 h ALA 162 Ca 0.11 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 3ag3 h ALA 162 Cb 0.21 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3ag3 h ALA 162 CO -0.01 0.63 -0.51 1.25 0.00 0.00 0.00 179.25 180.61 3ag3 h LEU 163 N 0.83 0.70 -0.77 0.00 5.85 -0.74 -1.07 115.31 120.12 3ag3 h LEU 163 Ca 0.15 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.55 3ag3 h LEU 163 Cb 0.56 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 3ag3 h LEU 163 CO 0.03 1.09 0.48 0.15 -0.34 0.00 0.00 178.44 179.85 3ag3 h PHE 164 N 0.50 0.89 -0.46 1.25 3.57 -0.72 -1.10 116.94 120.86 3ag3 h PHE 164 Ca 0.02 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 3ag3 h PHE 164 Cb 1.07 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 3ag3 h PHE 164 CO 0.05 0.48 0.10 0.82 -2.23 0.00 0.00 178.31 177.53 3ag3 h ILE 165 N 0.91 1.24 -0.18 1.41 2.04 -1.06 -0.16 117.51 121.70 3ag3 h ILE 165 Ca 0.32 -0.86 0.05 0.00 1.00 0.00 0.00 64.86 65.38 3ag3 h ILE 165 Cb 0.08 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 3ag3 h ILE 165 CO -0.14 0.30 -0.20 0.74 0.00 0.00 0.00 178.15 178.86 3ag3 h THR 166 N 0.62 0.49 -0.51 -0.27 2.02 -0.85 -0.54 112.91 113.87 3ag3 h THR 166 Ca 0.14 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.33 3ag3 h THR 166 Cb 0.35 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 3ag3 h THR 166 CO 0.00 0.00 0.33 0.40 0.37 0.00 0.00 175.52 176.62 3ag3 h ILE 167 N -0.23 1.11 -0.94 3.11 2.04 -1.01 -1.48 117.51 120.11 3ag3 h ILE 167 Ca 0.12 -0.23 0.07 0.00 1.00 0.00 0.00 64.86 65.82 3ag3 h ILE 167 Cb 0.40 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 36.80 3ag3 h ILE 167 CO -0.31 0.12 0.60 0.74 0.00 0.00 0.00 178.15 179.29 3ag3 h THR 168 N 0.67 1.05 -0.34 -0.27 2.02 -0.63 0.10 112.91 115.51 3ag3 h THR 168 Ca 0.19 -0.37 -0.11 0.00 0.77 0.00 0.00 66.41 66.89 3ag3 h THR 168 Cb -0.05 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.23 3ag3 h THR 168 CO -0.05 0.20 -0.25 -0.07 0.37 0.00 0.00 175.52 175.71 3ag3 h LEU 169 N 1.07 0.70 -0.74 2.58 3.38 -0.65 0.19 115.31 121.84 3ag3 h LEU 169 Ca 0.42 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 3ag3 h LEU 169 Cb 0.21 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3ag3 h LEU 169 CO -0.19 0.93 0.14 1.23 0.09 0.00 0.00 178.44 180.64 3ag3 h GLY 170 N 0.99 1.18 0.89 0.83 0.00 -0.50 0.72 103.07 107.17 3ag3 h GLY 170 Ca 0.08 -0.76 -0.02 0.00 0.00 0.00 0.00 47.33 46.64 3ag3 h GLY 170 CO 0.06 0.70 0.08 -2.08 0.00 0.00 0.00 176.54 175.30 3ag3 h VAL 171 N 1.03 1.18 -0.30 4.60 2.07 -0.59 -1.62 116.25 122.62 3ag3 h VAL 171 Ca 0.21 -0.55 0.06 0.00 0.82 0.00 0.00 66.70 67.24 3ag3 h VAL 171 Cb 0.40 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 3ag3 h VAL 171 CO 0.01 0.18 -0.08 0.22 0.02 0.00 0.00 177.57 177.92 3ag3 h TYR 172 N 0.21 -0.17 -0.67 1.57 3.20 -0.43 0.46 116.97 121.13 3ag3 h TYR 172 Ca 0.08 0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.08 3ag3 h TYR 172 Cb 0.20 0.12 -0.08 0.00 1.54 0.00 0.00 36.73 38.52 3ag3 h TYR 172 CO -0.00 -0.14 0.28 0.35 -1.64 0.00 0.00 178.16 177.01 3ag3 h PHE 173 N -0.01 0.48 -0.59 -3.82 3.57 -0.65 -0.42 116.94 115.50 3ag3 h PHE 173 Ca 0.14 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 3ag3 h PHE 173 Cb 0.23 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 3ag3 h PHE 173 CO -0.29 0.12 0.13 1.15 -2.23 0.00 0.00 178.31 177.19 3ag3 h THR 174 N 0.46 1.25 -0.05 4.41 2.02 -0.64 0.70 112.91 121.07 3ag3 h THR 174 Ca 0.35 -0.93 -0.10 0.00 0.77 0.00 0.00 66.41 66.49 3ag3 h THR 174 Cb 0.44 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3ag3 h THR 174 CO -0.32 0.35 -0.44 -0.07 0.37 0.00 0.00 175.52 175.40 3ag3 h LEU 175 N 0.87 0.11 -0.14 2.58 3.38 -0.61 -0.44 115.31 121.06 3ag3 h LEU 175 Ca 0.18 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 3ag3 h LEU 175 Cb 0.37 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3ag3 h LEU 175 CO 0.01 0.54 -0.25 -0.07 0.09 0.00 0.00 178.44 178.76 3ag3 h LEU 176 N 0.09 0.46 -0.69 1.67 3.38 -0.65 -1.62 115.31 117.93 3ag3 h LEU 176 Ca 0.00 -0.54 -0.02 0.00 0.09 0.00 0.00 57.88 57.41 3ag3 h LEU 176 Cb 0.82 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3ag3 h LEU 176 CO 0.06 0.91 0.35 -0.61 0.09 0.00 0.00 178.44 179.25 3ag3 h GLN 177 N 0.02 0.99 -0.45 1.13 5.75 -0.72 0.15 115.11 121.97 3ag3 h GLN 177 Ca 0.01 -0.14 0.05 0.00 -0.15 0.00 0.00 58.65 58.42 3ag3 h GLN 177 Cb 0.83 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 29.15 3ag3 h GLN 177 CO 0.06 0.77 0.20 0.00 -2.65 0.00 0.00 178.83 177.20 3ag3 h ALA 178 N 1.17 0.56 -0.41 3.38 0.00 -1.04 0.12 119.26 123.03 3ag3 h ALA 178 Ca 0.24 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3ag3 h ALA 178 Cb 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3ag3 h ALA 178 CO -0.03 -0.17 0.27 1.03 0.00 0.00 0.00 179.25 180.34 3ag3 h SER 179 N 0.40 0.47 -0.21 0.00 0.87 -1.03 -1.65 113.55 112.40 3ag3 h SER 179 Ca 0.21 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 3ag3 h SER 179 Cb 0.16 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 3ag3 h SER 179 CO -0.17 0.34 0.07 -0.33 -0.53 0.00 0.00 176.83 176.21 3ag3 h GLU 180 N 0.55 0.39 -0.41 2.24 4.39 -0.06 -0.58 114.58 121.11 3ag3 h GLU 180 Ca 0.15 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.70 3ag3 h GLU 180 Cb -0.06 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 3ag3 h GLU 180 CO -0.03 0.36 -0.13 1.88 -1.16 0.00 0.00 179.01 179.93 3ag3 h TYR 181 N 0.39 0.93 -0.39 4.33 -1.99 -0.38 -0.48 116.97 119.37 3ag3 h TYR 181 Ca 0.10 -0.21 -0.05 0.00 2.00 0.00 0.00 58.73 60.57 3ag3 h TYR 181 Cb 0.14 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 38.64 3ag3 h TYR 181 CO 0.00 0.95 0.05 -0.92 -0.00 0.00 0.00 178.16 178.24 3ag3 h TYR 182 N 0.64 0.70 0.00 4.88 5.03 -0.64 -2.94 116.97 124.64 3ag3 h TYR 182 Ca 0.10 -0.10 0.00 0.00 2.58 0.00 0.00 58.73 61.31 3ag3 h TYR 182 Cb 0.67 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.76 3ag3 h TYR 182 CO 0.05 0.70 0.00 0.93 -1.32 0.00 0.00 178.16 178.53 3ag3 h GLU 183 N 0.50 0.00 -6.64 1.82 4.39 -1.00 -3.45 114.58 110.19 3ag3 h GLU 183 Ca 0.12 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.27 3ag3 h GLU 183 Cb 0.39 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 29.11 3ag3 h GLU 183 CO 0.01 0.00 0.88 0.00 -1.16 0.00 0.00 179.01 178.74 3ag3 n ALA 184 N -1.99 2.20 1.07 3.43 0.00 -0.20 -4.88 120.51 120.14 3ag3 n ALA 184 Ca 0.03 0.41 0.13 0.00 0.00 0.00 0.00 53.44 54.01 3ag3 n ALA 184 Cb 0.43 -2.44 0.61 0.00 0.00 0.00 0.00 19.45 18.05 3ag3 n ALA 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ag3 n PRO 185 N 3.18 0.19 -4.31 0.00 -0.04 -1.26 -4.79 135.00 127.97 3ag3 n PRO 185 Ca 0.14 0.05 -0.23 0.00 -0.04 0.00 0.00 63.50 63.41 3ag3 n PRO 185 Cb 0.33 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.22 3ag3 n PRO 185 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3ag3 s PHE 186 N -2.78 2.62 0.37 0.54 -0.12 -1.26 -5.02 117.98 112.33 3ag3 s PHE 186 Ca 0.19 -0.27 0.03 0.00 -0.05 0.00 0.00 56.93 56.83 3ag3 s PHE 186 Cb 0.17 -1.23 -0.04 0.00 -0.63 0.00 0.00 43.02 41.29 3ag3 s PHE 186 CO 0.43 0.60 0.10 0.95 -0.05 0.00 0.00 175.22 177.25 3ag3 s THR 187 N -2.38 0.84 0.54 -4.49 -4.23 -1.26 -5.02 115.64 99.64 3ag3 s THR 187 Ca 0.32 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.16 3ag3 s THR 187 Cb -0.05 -2.53 0.36 0.00 1.34 0.00 0.00 72.50 71.61 3ag3 s THR 187 CO 0.19 0.00 2.22 -0.29 -0.54 0.00 0.00 174.62 176.20 3ag3 h ILE 188 N 1.94 0.40 0.00 2.99 2.10 -1.96 -1.13 117.51 121.85 3ag3 h ILE 188 Ca -0.38 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.39 3ag3 h ILE 188 Cb 1.26 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 38.11 3ag3 h ILE 188 CO 0.63 0.03 0.00 -1.54 -1.08 0.00 0.00 178.15 176.19 3ag3 n SER 189 N -3.58 0.00 -3.13 2.19 3.41 -1.26 -3.31 113.62 107.94 3ag3 n SER 189 Ca -0.02 -0.69 -0.35 0.00 -0.26 0.00 0.00 58.87 57.55 3ag3 n SER 189 Cb 0.13 -0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 63.94 3ag3 n SER 189 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ag3 n ASP 190 N -1.10 8.03 -0.37 4.04 8.00 -0.43 -4.93 116.55 129.79 3ag3 n ASP 190 Ca 0.20 -2.72 0.00 0.00 0.71 0.00 0.00 54.79 52.98 3ag3 n ASP 190 Cb 0.15 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 39.78 3ag3 n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ag3 n GLY 191 N 2.87 -0.97 0.23 0.44 0.00 -1.26 -1.93 105.19 104.57 3ag3 n GLY 191 Ca 0.69 -1.13 0.10 0.00 0.00 0.00 0.00 46.02 45.68 3ag3 n GLY 191 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3ag3 h VAL 192 N 0.00 0.51 0.46 1.61 3.04 -1.91 -0.38 116.25 119.58 3ag3 h VAL 192 Ca 0.00 -1.07 -0.02 0.00 -1.01 0.00 0.00 66.70 64.60 3ag3 h VAL 192 Cb 0.00 1.74 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 3ag3 h VAL 192 CO 0.00 0.20 -0.22 0.22 -1.01 0.00 0.00 177.57 176.76 3ag3 h TYR 193 N 0.00 -0.57 -0.39 3.17 3.20 -1.96 -0.70 116.97 119.71 3ag3 h TYR 193 Ca -0.00 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 3ag3 h TYR 193 Cb 0.73 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 3ag3 h TYR 193 CO 0.00 -0.33 -0.23 0.78 -1.64 0.00 0.00 178.16 176.74 3ag3 h GLY 194 N -0.67 0.84 0.35 1.82 0.00 -1.05 -1.80 103.07 102.56 3ag3 h GLY 194 Ca -0.06 -0.72 0.01 0.00 0.00 0.00 0.00 47.33 46.55 3ag3 h GLY 194 CO 0.10 0.66 -0.45 1.76 0.00 0.00 0.00 176.54 178.61 3ag3 h SER 195 N 0.67 -1.29 -0.48 0.19 0.02 -1.03 0.36 113.55 111.98 3ag3 h SER 195 Ca 0.09 0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 61.08 3ag3 h SER 195 Cb 0.74 0.47 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 3ag3 h SER 195 CO 0.06 -0.54 -0.05 0.71 -1.14 0.00 0.00 176.83 175.87 3ag3 h THR 196 N -0.76 1.26 0.18 -2.27 1.35 -1.13 -1.76 112.91 109.78 3ag3 h THR 196 Ca -0.01 -1.15 -0.01 0.00 -0.55 0.00 0.00 66.41 64.69 3ag3 h THR 196 Cb 0.74 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 3ag3 h THR 196 CO -0.19 0.41 -0.09 0.15 -0.25 0.00 0.00 175.52 175.55 3ag3 h PHE 197 N 0.85 -0.23 0.01 4.73 3.57 -1.23 -1.99 116.94 122.65 3ag3 h PHE 197 Ca 0.15 -0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.44 3ag3 h PHE 197 Cb 0.57 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 3ag3 h PHE 197 CO 0.03 0.02 -0.91 0.74 -2.23 0.00 0.00 178.31 175.97 3ag3 h PHE 198 N -0.46 0.34 -0.30 0.41 -1.00 -0.93 -1.34 116.94 113.66 3ag3 h PHE 198 Ca -0.02 -0.19 -0.16 0.00 2.81 0.00 0.00 57.97 60.40 3ag3 h PHE 198 Cb 0.35 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 39.87 3ag3 h PHE 198 CO -0.00 1.02 -0.45 0.28 -1.61 0.00 0.00 178.31 177.54 3ag3 h VAL 199 N 0.12 1.28 0.09 -0.55 2.07 -1.39 0.49 116.25 118.37 3ag3 h VAL 199 Ca -0.05 -1.63 -0.00 0.00 0.82 0.00 0.00 66.70 65.83 3ag3 h VAL 199 Cb 1.55 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 3ag3 h VAL 199 CO 0.14 0.53 -0.04 0.00 0.02 0.00 0.00 177.57 178.22 3ag3 h ALA 200 N 0.70 -0.12 0.00 1.67 0.00 -1.40 -0.09 119.26 120.02 3ag3 h ALA 200 Ca 0.03 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3ag3 h ALA 200 Cb 1.05 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3ag3 h ALA 200 CO 0.10 -0.18 -0.21 1.79 0.00 0.00 0.00 179.25 180.75 3ag3 h THR 201 N -0.90 0.66 -0.05 0.00 1.35 -1.33 -2.12 112.91 110.52 3ag3 h THR 201 Ca -0.01 -0.94 -0.00 0.00 -0.55 0.00 0.00 66.41 64.91 3ag3 h THR 201 Cb 0.56 1.60 -0.00 0.00 -1.73 0.00 0.00 68.15 68.57 3ag3 h THR 201 CO 0.02 0.21 0.01 1.23 -0.25 0.00 0.00 175.52 176.74 3ag3 h GLY 202 N 1.46 0.08 1.32 5.82 0.00 0.08 0.23 103.07 112.07 3ag3 h GLY 202 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 3ag3 h GLY 202 CO 0.03 0.05 0.26 0.74 0.00 0.00 0.00 176.54 177.62 3ag3 h PHE 203 N -0.15 0.87 -0.46 5.60 0.04 -0.99 -0.62 116.94 121.23 3ag3 h PHE 203 Ca 0.01 -0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.71 3ag3 h PHE 203 Cb 0.25 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 3ag3 h PHE 203 CO 0.01 0.66 0.14 1.25 -0.60 0.00 0.00 178.31 179.77 3ag3 h HIS 204 N 0.86 0.74 -0.68 -0.55 2.76 -1.19 -1.46 115.15 115.63 3ag3 h HIS 204 Ca 0.21 -0.07 0.05 0.00 -2.20 0.00 0.00 60.37 58.35 3ag3 h HIS 204 Cb 0.14 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 28.85 3ag3 h HIS 204 CO 0.01 0.66 0.45 0.78 -1.30 0.00 0.00 177.93 178.53 3ag3 h GLY 205 N 0.60 0.90 0.92 5.26 0.00 0.22 0.16 103.07 111.13 3ag3 h GLY 205 Ca 0.15 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 3ag3 h GLY 205 CO -0.00 0.24 -0.06 -2.00 0.00 0.00 0.00 176.54 174.72 3ag3 h LEU 206 N 0.75 0.65 -1.82 3.11 5.85 -0.80 -0.12 115.31 122.94 3ag3 h LEU 206 Ca 0.28 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 3ag3 h LEU 206 Cb 0.16 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 3ag3 h LEU 206 CO -0.09 0.85 -0.11 0.45 -0.34 0.00 0.00 178.44 179.20 3ag3 h HIS 207 N 0.44 0.00 -0.44 1.25 3.86 -0.40 0.92 115.15 120.79 3ag3 h HIS 207 Ca 0.09 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.18 3ag3 h HIS 207 Cb 0.55 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 3ag3 h HIS 207 CO 0.05 0.11 -0.22 0.28 0.86 0.00 0.00 177.93 179.01 3ag3 h VAL 208 N 0.00 1.27 -0.40 2.45 2.07 -0.58 0.57 116.25 121.63 3ag3 h VAL 208 Ca -0.00 -1.37 -0.08 0.00 0.82 0.00 0.00 66.70 66.07 3ag3 h VAL 208 Cb 0.21 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3ag3 h VAL 208 CO 0.01 0.46 -0.06 0.40 0.02 0.00 0.00 177.57 178.41 3ag3 h ILE 209 N 0.77 1.27 0.01 4.57 2.04 -0.23 0.15 117.51 126.08 3ag3 h ILE 209 Ca 0.10 -1.12 0.01 0.00 1.00 0.00 0.00 64.86 64.86 3ag3 h ILE 209 Cb 0.77 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 3ag3 h ILE 209 CO 0.06 0.37 -0.09 0.40 0.00 0.00 0.00 178.15 178.90 3ag3 h ILE 210 N 0.56 0.77 -0.93 -0.67 2.04 -0.74 -0.60 117.51 117.94 3ag3 h ILE 210 Ca 0.11 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.02 3ag3 h ILE 210 Cb 0.56 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 3ag3 h ILE 210 CO 0.03 0.00 0.61 1.23 0.00 0.00 0.00 178.15 180.02 3ag3 h GLY 211 N -0.16 1.37 0.91 5.37 0.00 -0.73 -0.87 103.07 108.97 3ag3 h GLY 211 Ca 0.03 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 3ag3 h GLY 211 CO -0.09 0.34 0.11 1.76 0.00 0.00 0.00 176.54 178.65 3ag3 h SER 212 N 1.10 0.48 -0.54 0.19 0.02 -0.48 -1.32 113.55 112.99 3ag3 h SER 212 Ca 0.39 -0.20 0.05 0.00 -0.84 0.00 0.00 61.79 61.19 3ag3 h SER 212 Cb 0.14 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 3ag3 h SER 212 CO -0.14 0.55 0.27 0.74 -1.14 0.00 0.00 176.83 177.11 3ag3 h THR 213 N 0.38 0.94 -0.65 -2.27 2.02 -0.81 0.14 112.91 112.67 3ag3 h THR 213 Ca 0.11 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 3ag3 h THR 213 Cb 0.24 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 3ag3 h THR 213 CO -0.00 0.10 0.23 0.15 0.37 0.00 0.00 175.52 176.36 3ag3 h PHE 214 N 0.52 0.98 -0.19 3.16 3.04 -0.87 -0.17 116.94 123.42 3ag3 h PHE 214 Ca 0.24 -0.07 -0.12 0.00 3.98 0.00 0.00 57.97 62.00 3ag3 h PHE 214 Cb 0.16 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.37 3ag3 h PHE 214 CO -0.10 0.77 -0.39 -0.07 -2.02 0.00 0.00 178.31 176.50 3ag3 h LEU 215 N 0.94 0.44 -0.50 0.59 3.38 -0.59 -1.83 115.31 117.74 3ag3 h LEU 215 Ca 0.22 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3ag3 h LEU 215 Cb 0.23 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3ag3 h LEU 215 CO -0.01 0.78 0.19 0.40 0.09 0.00 0.00 178.44 179.89 3ag3 h ILE 216 N 0.35 1.22 -0.08 1.22 2.04 0.06 0.31 117.51 122.63 3ag3 h ILE 216 Ca 0.03 -0.69 0.02 0.00 1.00 0.00 0.00 64.86 65.23 3ag3 h ILE 216 Cb 0.84 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3ag3 h ILE 216 CO 0.07 0.26 -0.05 0.58 0.00 0.00 0.00 178.15 179.01 3ag3 h VAL 217 N 0.66 0.85 -0.83 1.67 2.07 -0.84 -1.35 116.25 118.48 3ag3 h VAL 217 Ca 0.16 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.72 3ag3 h VAL 217 Cb 0.22 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3ag3 h VAL 217 CO -0.01 0.00 0.55 0.00 0.02 0.00 0.00 177.57 178.12 3ag3 h PHE 219 N 1.03 0.36 -0.60 0.00 3.57 0.34 0.42 116.94 122.06 3ag3 h PHE 219 Ca 0.33 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 3ag3 h PHE 219 Cb 0.03 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 3ag3 h PHE 219 CO -0.00 0.26 0.29 0.74 -2.23 0.00 0.00 178.31 177.37 3ag3 h PHE 220 N 0.36 0.83 -0.41 0.41 0.04 -1.02 0.43 116.94 117.58 3ag3 h PHE 220 Ca 0.10 -0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.72 3ag3 h PHE 220 Cb -0.00 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 37.87 3ag3 h PHE 220 CO -0.05 0.61 -0.25 0.00 -0.60 0.00 0.00 178.31 178.02 3ag3 h ARG 221 N 0.84 0.90 -0.75 1.51 3.08 -1.08 -0.97 114.38 117.92 3ag3 h ARG 221 Ca 0.21 -0.42 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 3ag3 h ARG 221 Cb 0.08 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3ag3 h ARG 221 CO -0.03 1.07 0.33 0.37 -1.07 0.00 0.00 179.97 180.64 3ag3 h GLN 222 N 0.72 1.10 0.00 0.04 5.75 -0.57 -0.55 115.11 121.60 3ag3 h GLN 222 Ca 0.09 -0.18 -0.02 0.00 -0.15 0.00 0.00 58.65 58.38 3ag3 h GLN 222 Cb 0.82 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 29.18 3ag3 h GLN 222 CO 0.07 0.88 -0.11 -0.07 -2.65 0.00 0.00 178.83 176.95 3ag3 h LEU 223 N 1.06 0.00 -1.86 -2.39 3.38 -0.40 -0.12 115.31 114.99 3ag3 h LEU 223 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3ag3 h LEU 223 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ag3 h LEU 223 CO -0.03 0.11 0.00 0.29 0.09 0.00 0.00 178.44 178.90 3ag3 n LYS 224 N -4.22 2.34 -1.77 1.13 5.02 -0.41 -4.94 118.16 115.30 3ag3 n LYS 224 Ca -0.03 -1.69 -0.18 0.00 -2.02 0.00 0.00 58.31 54.39 3ag3 n LYS 224 Cb 0.19 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.65 3ag3 n LYS 224 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3ag3 n PHE 225 N 0.73 -0.25 -0.19 2.13 3.01 -0.06 -4.93 117.46 117.91 3ag3 n PHE 225 Ca 0.15 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.61 3ag3 n PHE 225 Cb 0.48 -3.27 0.23 0.00 -0.01 0.00 0.00 39.48 36.91 3ag3 n PHE 225 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3ag3 h HIS 226 N 0.00 0.91 -3.73 1.38 3.86 -1.35 -3.44 115.15 112.78 3ag3 h HIS 226 Ca -0.39 -0.01 -0.49 0.00 -1.16 0.00 0.00 60.37 58.31 3ag3 h HIS 226 Cb 1.23 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 29.38 3ag3 h HIS 226 CO 0.51 0.63 0.23 -0.06 0.86 0.00 0.00 177.93 180.10 3ag3 s PHE 227 N -5.65 3.68 0.57 2.45 0.08 -1.26 -4.96 117.98 112.89 3ag3 s PHE 227 Ca -0.11 1.59 0.09 0.00 0.12 0.00 0.00 56.93 58.62 3ag3 s PHE 227 Cb 0.17 -2.78 0.08 0.00 -0.57 0.00 0.00 43.02 39.92 3ag3 s PHE 227 CO 0.79 0.28 0.70 0.95 -0.10 0.00 0.00 175.22 177.83 3ag3 s THR 228 N -1.56 2.01 -0.46 0.64 -4.23 -0.48 -4.98 115.64 106.58 3ag3 s THR 228 Ca 0.46 -1.12 0.26 0.00 -1.18 0.00 0.00 61.69 60.11 3ag3 s THR 228 Cb -0.18 -2.13 0.32 0.00 1.34 0.00 0.00 72.50 71.85 3ag3 s THR 228 CO 0.22 0.00 1.73 0.77 -0.54 0.00 0.00 174.62 176.80 3ag3 h SER 229 N 0.32 0.00 0.00 3.99 4.64 -1.90 -3.10 113.55 117.49 3ag3 h SER 229 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3ag3 h SER 229 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3ag3 h SER 229 CO 0.45 0.00 -0.88 -3.20 -0.87 0.00 0.00 176.83 172.32 3ag3 n ASN 230 N -2.74 0.99 -3.82 4.97 2.85 -1.26 -4.26 115.26 111.98 3ag3 n ASN 230 Ca 0.04 -0.58 -0.29 0.00 -0.11 0.00 0.00 54.58 53.64 3ag3 n ASN 230 Cb 0.44 1.17 -0.16 0.00 1.24 0.00 0.00 39.78 42.47 3ag3 n ASN 230 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 3ag3 s HIS 231 N -2.41 1.82 -0.39 1.20 2.46 -1.17 -4.97 115.29 111.83 3ag3 s HIS 231 Ca 0.02 -1.49 0.07 0.00 0.47 0.00 0.00 55.06 54.12 3ag3 s HIS 231 Cb 0.09 -1.48 0.31 0.00 -0.13 0.00 0.00 32.58 31.38 3ag3 s HIS 231 CO 0.53 -0.75 1.25 -2.39 -2.47 0.00 0.00 174.74 170.92 3ag3 n HIS 232 N 4.82 -2.05 0.11 3.88 1.44 -1.26 -1.38 115.22 120.79 3ag3 n HIS 232 Ca -0.08 -1.67 -0.01 0.00 -2.01 0.00 0.00 57.72 53.95 3ag3 n HIS 232 Cb 0.45 1.51 0.23 0.00 0.12 0.00 0.00 29.99 32.29 3ag3 n HIS 232 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 3ag3 h PHE 233 N 2.13 0.20 -0.04 -1.40 3.04 -1.97 -1.37 116.94 117.53 3ag3 h PHE 233 Ca -0.29 -0.06 -0.03 0.00 3.98 0.00 0.00 57.97 61.58 3ag3 h PHE 233 Cb 1.23 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.69 3ag3 h PHE 233 CO 0.13 0.59 -0.11 0.78 -2.02 0.00 0.00 178.31 177.69 3ag3 h GLY 234 N 1.31 0.06 0.90 2.40 0.00 -1.99 0.10 103.07 105.85 3ag3 h GLY 234 Ca 0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 3ag3 h GLY 234 CO 0.07 0.03 -0.23 -2.75 0.00 0.00 0.00 176.54 173.65 3ag3 h PHE 235 N 0.05 0.72 -0.41 5.60 3.57 -1.69 -1.75 116.94 123.02 3ag3 h PHE 235 Ca 0.01 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.29 3ag3 h PHE 235 Cb 0.22 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 3ag3 h PHE 235 CO 0.00 0.91 0.23 0.93 -2.23 0.00 0.00 178.31 178.16 3ag3 h GLU 236 N 0.31 0.57 -0.57 1.11 5.08 -0.46 -0.12 114.58 120.51 3ag3 h GLU 236 Ca 0.04 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3ag3 h GLU 236 Cb 0.78 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 3ag3 h GLU 236 CO 0.06 0.45 0.28 0.00 -1.00 0.00 0.00 179.01 178.80 3ag3 h ALA 237 N 1.09 0.74 -0.35 3.43 0.00 -0.83 -0.12 119.26 123.21 3ag3 h ALA 237 Ca 0.15 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3ag3 h ALA 237 Cb 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3ag3 h ALA 237 CO -0.02 -0.07 -0.10 0.00 0.00 0.00 0.00 179.25 179.05 3ag3 h ALA 238 N 1.32 1.16 -0.45 0.00 0.00 -0.99 -0.65 119.26 119.65 3ag3 h ALA 238 Ca 0.26 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3ag3 h ALA 238 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3ag3 h ALA 238 CO -0.19 0.53 0.09 0.00 0.00 0.00 0.00 179.25 179.68 3ag3 h ALA 239 N 1.33 0.60 -0.65 0.00 0.00 -0.56 -1.06 119.26 118.92 3ag3 h ALA 239 Ca 0.10 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3ag3 h ALA 239 Cb 0.51 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3ag3 h ALA 239 CO 0.03 0.31 0.07 -1.49 0.00 0.00 0.00 179.25 178.17 3ag3 h TRP 240 N 0.61 1.18 -0.55 0.00 6.55 -0.83 0.24 115.95 123.15 3ag3 h TRP 240 Ca 0.14 -0.18 -0.11 0.00 0.95 0.00 0.00 58.89 59.69 3ag3 h TRP 240 Cb 0.36 -0.32 -0.02 0.00 -0.86 0.00 0.00 29.16 28.33 3ag3 h TRP 240 CO 0.02 1.00 -0.10 -0.92 -1.05 0.00 0.00 178.44 177.40 3ag3 h TYR 241 N 1.02 1.15 -0.63 0.49 3.20 -1.12 -1.08 116.97 119.99 3ag3 h TYR 241 Ca 0.19 -0.24 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 3ag3 h TYR 241 Cb 0.48 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 3ag3 h TYR 241 CO 0.04 1.06 0.37 2.35 -1.64 0.00 0.00 178.16 180.34 3ag3 h TRP 242 N 0.92 0.85 -0.39 -3.82 2.91 -0.65 -1.16 115.95 114.60 3ag3 h TRP 242 Ca 0.14 -0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.08 3ag3 h TRP 242 Cb 0.67 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 29.02 3ag3 h TRP 242 CO 0.05 0.59 -0.09 0.45 -1.03 0.00 0.00 178.44 178.40 3ag3 h HIS 243 N 0.86 0.74 -0.57 2.65 3.86 -0.29 -1.41 115.15 120.98 3ag3 h HIS 243 Ca 0.23 -0.12 0.10 0.00 -1.16 0.00 0.00 60.37 59.42 3ag3 h HIS 243 Cb -0.00 -0.20 -0.08 0.00 1.06 0.00 0.00 27.41 28.19 3ag3 h HIS 243 CO -0.01 0.74 0.11 0.35 0.86 0.00 0.00 177.93 179.98 3ag3 h PHE 244 N 0.63 0.18 -0.24 2.45 3.04 -0.92 0.10 116.94 122.17 3ag3 h PHE 244 Ca 0.11 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.98 3ag3 h PHE 244 Cb 0.52 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.03 3ag3 h PHE 244 CO 0.02 -0.03 -0.33 0.28 -2.02 0.00 0.00 178.31 176.24 3ag3 h VAL 245 N 0.25 1.29 -0.27 1.41 2.07 -0.78 0.11 116.25 120.32 3ag3 h VAL 245 Ca 0.30 -1.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 3ag3 h VAL 245 Cb 0.43 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3ag3 h VAL 245 CO -0.39 0.45 0.08 -0.78 0.02 0.00 0.00 177.57 176.95 3ag3 h ASP 246 N 0.44 0.41 0.04 0.57 3.58 -0.54 -1.47 116.42 119.45 3ag3 h ASP 246 Ca 0.05 -0.22 -0.15 0.00 0.42 0.00 0.00 57.03 57.14 3ag3 h ASP 246 Cb 0.79 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.72 3ag3 h ASP 246 CO 0.06 0.52 -0.50 0.58 -2.88 0.00 0.00 179.24 177.02 3ag3 h VAL 247 N 0.28 1.32 -0.48 2.25 2.07 -0.29 -0.70 116.25 120.69 3ag3 h VAL 247 Ca 0.09 -1.72 0.01 0.00 0.82 0.00 0.00 66.70 65.90 3ag3 h VAL 247 Cb 0.26 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3ag3 h VAL 247 CO -0.00 0.53 0.31 0.58 0.02 0.00 0.00 177.57 179.01 3ag3 h VAL 248 N 0.40 1.09 -0.58 2.57 2.07 -0.94 -1.95 116.25 118.92 3ag3 h VAL 248 Ca 0.02 -0.21 0.08 0.00 0.82 0.00 0.00 66.70 67.41 3ag3 h VAL 248 Cb 1.02 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 31.14 3ag3 h VAL 248 CO 0.09 0.11 0.23 -0.25 0.02 0.00 0.00 177.57 177.77 3ag3 h TRP 249 N 0.62 0.40 -0.99 1.57 2.91 -0.64 0.13 115.95 119.95 3ag3 h TRP 249 Ca 0.18 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.29 3ag3 h TRP 249 Cb -0.04 -0.09 -0.06 0.00 -0.51 0.00 0.00 29.16 28.46 3ag3 h TRP 249 CO -0.05 0.12 0.64 -0.07 -1.03 0.00 0.00 178.44 178.05 3ag3 h LEU 250 N 0.42 1.04 -0.36 0.65 3.38 -0.47 0.23 115.31 120.21 3ag3 h LEU 250 Ca 0.29 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.13 3ag3 h LEU 250 Cb 0.33 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3ag3 h LEU 250 CO -0.28 0.68 -0.27 -0.26 0.09 0.00 0.00 178.44 178.41 3ag3 h PHE 251 N 1.19 0.96 -0.45 1.13 -1.00 -0.78 -1.46 116.94 116.54 3ag3 h PHE 251 Ca 0.41 -0.27 0.09 0.00 2.81 0.00 0.00 57.97 61.01 3ag3 h PHE 251 Cb 0.10 -0.21 -0.08 0.00 3.61 0.00 0.00 35.95 39.37 3ag3 h PHE 251 CO -0.00 1.04 -0.06 -0.07 -1.61 0.00 0.00 178.31 177.61 3ag3 h LEU 252 N 0.60 -0.30 0.03 1.54 3.38 -0.10 -0.05 115.31 120.41 3ag3 h LEU 252 Ca 0.07 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3ag3 h LEU 252 Cb 0.84 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3ag3 h LEU 252 CO 0.07 -0.11 -0.02 0.22 0.09 0.00 0.00 178.44 178.70 3ag3 h TYR 253 N 0.05 -0.04 -0.24 1.13 3.20 -0.31 0.33 116.97 121.08 3ag3 h TYR 253 Ca 0.22 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 3ag3 h TYR 253 Cb 0.33 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3ag3 h TYR 253 CO -0.34 0.18 0.04 0.28 -1.64 0.00 0.00 178.16 176.68 3ag3 h VAL 254 N -0.26 1.22 0.08 1.81 2.07 -1.24 -0.12 116.25 119.83 3ag3 h VAL 254 Ca -0.00 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 3ag3 h VAL 254 Cb 0.24 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3ag3 h VAL 254 CO 0.01 0.24 -0.04 0.28 0.02 0.00 0.00 177.57 178.07 3ag3 h SER 255 N 0.21 -0.10 0.06 0.57 0.02 -0.82 0.80 113.55 114.30 3ag3 h SER 255 Ca 0.07 -0.35 -0.25 0.00 -0.84 0.00 0.00 61.79 60.42 3ag3 h SER 255 Cb 0.31 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 3ag3 h SER 255 CO 0.00 0.54 -1.35 0.40 -1.14 0.00 0.00 176.83 175.28 3ag3 h ILE 256 N -0.97 0.95 0.17 3.27 2.04 -0.50 0.26 117.51 122.73 3ag3 h ILE 256 Ca -0.01 -2.28 -0.30 0.00 1.00 0.00 0.00 64.86 63.27 3ag3 h ILE 256 Cb 0.44 2.49 0.02 0.00 -0.74 0.00 0.00 36.82 39.02 3ag3 h ILE 256 CO 0.02 0.55 -1.34 1.88 0.00 0.00 0.00 178.15 179.26 3ag3 h TYR 257 N -0.61 0.65 0.00 1.37 0.05 -1.28 -3.28 116.97 113.88 3ag3 h TYR 257 Ca -0.33 -0.48 0.00 0.00 0.05 0.00 0.00 58.73 57.98 3ag3 h TYR 257 Cb 1.55 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 39.26 3ag3 h TYR 257 CO 0.11 1.38 0.00 1.87 -1.05 0.00 0.00 178.16 180.47 3ag3 n TRP 258 N -3.59 0.00 -0.12 4.88 -0.00 -0.07 -3.86 117.44 114.68 3ag3 n TRP 258 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.39 3ag3 n TRP 258 Cb 1.05 -0.02 0.27 0.00 -0.00 0.00 0.00 31.31 32.62 3ag3 n TRP 258 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 177.69 180.04 3ag3 h TRP 259 N 0.00 0.78 0.00 5.87 7.01 -0.91 -1.63 115.95 127.07 3ag3 h TRP 259 Ca 0.00 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.98 3ag3 h TRP 259 Cb 0.00 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 26.81 3ag3 h TRP 259 CO 0.00 0.57 0.00 0.41 -2.79 0.00 0.00 178.44 176.63 3ag3 n GLY 260 N -1.19 -0.77 0.93 2.65 0.00 0.08 -5.02 105.19 101.87 3ag3 n GLY 260 Ca 0.05 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.06 3ag3 n GLY 260 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18