#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag4 s GLN 4 N 0.00 4.38 -0.21 1.57 -2.07 -1.26 -4.97 119.66 117.10 3ag4 s GLN 4 Ca 0.00 0.97 0.11 0.00 -1.82 0.00 0.00 55.36 54.63 3ag4 s GLN 4 Cb 0.00 -3.11 0.42 0.00 -1.09 0.00 0.00 33.01 29.23 3ag4 s GLN 4 CO 0.00 0.51 1.22 0.25 -1.32 0.00 0.00 175.29 175.95 3ag4 n THR 5 N 1.27 2.16 -4.44 3.63 -2.24 -1.26 -5.02 114.28 108.38 3ag4 n THR 5 Ca -0.05 -3.20 -0.25 0.00 -2.27 0.00 0.00 64.05 58.27 3ag4 n THR 5 Cb 0.50 -0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.42 3ag4 n THR 5 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3ag4 s HIS 6 N -3.16 2.49 -2.06 4.78 0.00 -1.26 -5.07 115.29 111.01 3ag4 s HIS 6 Ca 0.38 -0.49 0.14 0.00 -3.00 0.00 0.00 55.06 52.09 3ag4 s HIS 6 Cb 0.37 -1.50 0.43 0.00 -4.00 0.00 0.00 32.58 27.88 3ag4 s HIS 6 CO -0.07 0.50 1.35 0.00 -1.00 0.00 0.00 174.74 175.52 3ag4 n ALA 7 N -0.91 2.45 -2.44 -1.38 0.00 -1.26 -4.99 120.51 111.98 3ag4 n ALA 7 Ca -0.04 -0.70 -0.24 0.00 0.00 0.00 0.00 53.44 52.46 3ag4 n ALA 7 Cb 0.63 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.10 3ag4 n ALA 7 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3ag4 s TYR 8 N -1.51 3.41 -0.31 0.00 2.02 -1.26 -4.51 117.35 115.19 3ag4 s TYR 8 Ca 0.29 0.42 -0.12 0.00 -0.37 0.00 0.00 57.07 57.28 3ag4 s TYR 8 Cb 0.15 -2.16 -0.03 0.00 -0.40 0.00 0.00 41.96 39.52 3ag4 s TYR 8 CO 0.20 -0.17 0.24 -1.58 -1.57 0.00 0.00 175.55 172.67 3ag4 s HIS 9 N -2.52 3.22 -0.37 2.71 2.46 -1.26 -5.04 115.29 114.49 3ag4 s HIS 9 Ca 0.45 -0.04 -0.23 0.00 0.47 0.00 0.00 55.06 55.71 3ag4 s HIS 9 Cb -0.10 -2.46 0.01 0.00 -0.13 0.00 0.00 32.58 29.90 3ag4 s HIS 9 CO 0.39 -0.29 0.77 -1.64 -2.47 0.00 0.00 174.74 171.50 3ag4 s MET 10 N 1.78 3.72 -0.01 2.88 -1.94 -1.26 -5.03 119.30 119.44 3ag4 s MET 10 Ca 0.07 0.25 -0.21 0.00 -1.71 0.00 0.00 55.69 54.09 3ag4 s MET 10 Cb -0.17 -3.82 -0.05 0.00 2.01 0.00 0.00 34.83 32.80 3ag4 s MET 10 CO 0.11 -0.86 0.62 0.08 -0.01 0.00 0.00 175.02 174.96 3ag4 s VAL 11 N 3.07 4.91 0.32 -6.03 1.01 -1.26 -5.00 120.40 117.42 3ag4 s VAL 11 Ca 0.30 1.31 -0.29 0.00 0.00 0.00 0.00 61.98 63.30 3ag4 s VAL 11 Cb -0.13 -3.96 -0.12 0.00 0.00 0.00 0.00 36.38 32.16 3ag4 s VAL 11 CO 0.17 0.39 1.33 0.59 0.00 0.00 0.00 175.10 177.58 3ag4 n ASN 12 N 2.87 2.83 -4.60 3.32 5.03 -1.26 -4.87 115.26 118.57 3ag4 n ASN 12 Ca -0.06 1.19 -0.49 0.00 0.87 0.00 0.00 54.58 56.10 3ag4 n ASN 12 Cb 0.51 -1.48 -0.04 0.00 -1.02 0.00 0.00 39.78 37.75 3ag4 n ASN 12 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 3ag4 n PRO 13 N 0.91 1.38 -4.45 3.52 -0.02 -1.26 -4.95 135.00 130.14 3ag4 n PRO 13 Ca 0.06 0.49 -0.21 0.00 -2.02 0.00 0.00 63.50 61.83 3ag4 n PRO 13 Cb 0.35 -2.08 -0.14 0.00 -0.02 0.00 0.00 33.50 31.62 3ag4 n PRO 13 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ag4 s SER 14 N 0.24 1.70 0.21 2.55 0.15 -1.26 -5.04 113.70 112.24 3ag4 s SER 14 Ca 0.76 -0.40 0.26 0.00 0.70 0.00 0.00 55.95 57.26 3ag4 s SER 14 Cb -0.83 -0.13 0.75 0.00 -1.71 0.00 0.00 66.02 64.10 3ag4 s SER 14 CO 0.49 0.08 1.73 -0.81 1.20 0.00 0.00 173.24 175.93 3ag4 n PRO 15 N 2.13 0.28 -0.05 5.44 -0.04 -1.26 -4.43 135.00 137.08 3ag4 n PRO 15 Ca -0.17 0.21 -0.05 0.00 -0.04 0.00 0.00 63.50 63.45 3ag4 n PRO 15 Cb 0.55 -1.81 0.15 0.00 -0.04 0.00 0.00 33.50 32.35 3ag4 n PRO 15 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3ag4 h TRP 16 N 0.00 0.73 -0.70 0.54 -0.00 -1.96 -1.22 115.95 113.34 3ag4 h TRP 16 Ca 0.00 -0.15 0.11 0.00 -0.00 0.00 0.00 58.89 58.85 3ag4 h TRP 16 Cb 0.75 -0.18 -0.08 0.00 -0.00 0.00 0.00 29.16 29.65 3ag4 h TRP 16 CO 0.00 0.80 0.31 -1.35 -0.00 0.00 0.00 178.44 178.20 3ag4 h PRO 17 N 0.58 0.49 0.02 0.49 0.11 -1.98 0.15 132.00 131.86 3ag4 h PRO 17 Ca 0.09 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.17 3ag4 h PRO 17 Cb 0.67 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3ag4 h PRO 17 CO 0.05 0.32 -0.01 1.25 -0.21 0.00 0.00 178.00 179.40 3ag4 h LEU 18 N 0.51 -0.02 -1.50 2.35 5.85 -1.70 -1.26 115.31 119.53 3ag4 h LEU 18 Ca 0.36 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 3ag4 h LEU 18 Cb 0.46 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3ag4 h LEU 18 CO -0.32 0.15 0.06 0.71 -0.34 0.00 0.00 178.44 178.70 3ag4 h THR 19 N -0.19 1.13 -0.48 1.05 1.35 -1.09 -0.58 112.91 114.10 3ag4 h THR 19 Ca -0.00 -0.47 -0.09 0.00 -0.55 0.00 0.00 66.41 65.30 3ag4 h THR 19 Cb 0.18 0.86 -0.02 0.00 -1.73 0.00 0.00 68.15 67.45 3ag4 h THR 19 CO 0.00 0.17 -0.05 1.23 -0.25 0.00 0.00 175.52 176.63 3ag4 h GLY 20 N 0.61 0.95 0.80 5.82 0.00 -0.49 0.17 103.07 110.93 3ag4 h GLY 20 Ca 0.09 -0.73 -0.05 0.00 0.00 0.00 0.00 47.33 46.64 3ag4 h GLY 20 CO -0.00 0.67 -0.07 0.00 0.00 0.00 0.00 176.54 177.14 3ag4 h ALA 21 N 0.91 0.27 -0.87 3.60 0.00 -0.77 -1.87 119.26 120.53 3ag4 h ALA 21 Ca 0.13 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ag4 h ALA 21 Cb 0.57 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3ag4 h ALA 21 CO 0.03 0.08 0.54 -0.07 0.00 0.00 0.00 179.25 179.84 3ag4 h LEU 22 N 0.10 1.03 -1.11 0.00 3.38 -0.99 -1.86 115.31 115.87 3ag4 h LEU 22 Ca 0.05 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3ag4 h LEU 22 Cb 0.54 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 3ag4 h LEU 22 CO 0.02 0.78 0.61 0.77 0.09 0.00 0.00 178.44 180.72 3ag4 h SER 23 N 1.20 0.91 -0.16 -0.43 4.64 -0.26 0.62 113.55 120.07 3ag4 h SER 23 Ca 0.32 0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.53 3ag4 h SER 23 Cb -0.08 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.83 3ag4 h SER 23 CO -0.06 0.56 -0.32 0.00 -0.87 0.00 0.00 176.83 176.13 3ag4 h ALA 24 N 1.51 0.86 -0.00 5.18 0.00 -0.82 0.19 119.26 126.18 3ag4 h ALA 24 Ca 0.43 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3ag4 h ALA 24 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3ag4 h ALA 24 CO -0.18 0.63 -0.05 1.25 0.00 0.00 0.00 179.25 180.90 3ag4 h LEU 25 N 0.56 -0.14 -0.68 0.00 5.85 -0.46 -1.69 115.31 118.75 3ag4 h LEU 25 Ca 0.06 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3ag4 h LEU 25 Cb 0.83 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 3ag4 h LEU 25 CO 0.07 -0.07 0.25 -0.07 -0.34 0.00 0.00 178.44 178.28 3ag4 h LEU 26 N -0.09 0.95 -0.92 2.25 3.38 -0.52 0.09 115.31 120.45 3ag4 h LEU 26 Ca 0.02 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 3ag4 h LEU 26 Cb 0.11 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3ag4 h LEU 26 CO -0.05 0.88 -0.39 0.24 0.09 0.00 0.00 178.44 179.20 3ag4 h MET 27 N 0.97 0.29 0.16 1.13 2.86 -0.62 0.25 114.93 119.97 3ag4 h MET 27 Ca 0.22 -0.13 -0.29 0.00 -2.06 0.00 0.00 59.70 57.44 3ag4 h MET 27 Cb 0.23 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.90 3ag4 h MET 27 CO -0.02 0.64 -1.41 1.79 1.06 0.00 0.00 176.91 178.98 3ag4 h THR 28 N 0.24 1.13 -0.42 2.22 1.35 -1.18 -0.70 112.91 115.56 3ag4 h THR 28 Ca 0.02 -2.50 0.09 0.00 -0.55 0.00 0.00 66.41 63.47 3ag4 h THR 28 Cb 0.81 2.87 -0.08 0.00 -1.73 0.00 0.00 68.15 70.01 3ag4 h THR 28 CO 0.06 0.77 -0.14 0.28 -0.25 0.00 0.00 175.52 176.24 3ag4 h SER 29 N -0.14 -0.49 -0.24 5.36 0.02 -1.04 -2.15 113.55 114.88 3ag4 h SER 29 Ca -0.28 0.14 0.02 0.00 -0.84 0.00 0.00 61.79 60.83 3ag4 h SER 29 Cb 1.90 0.30 -0.02 0.00 0.14 0.00 0.00 62.40 64.71 3ag4 h SER 29 CO 0.14 -0.17 0.10 1.23 -1.14 0.00 0.00 176.83 176.99 3ag4 h GLY 30 N -0.04 0.31 0.97 -3.77 0.00 -0.44 0.11 103.07 100.20 3ag4 h GLY 30 Ca 0.20 -0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.47 3ag4 h GLY 30 CO -0.45 0.06 0.46 1.41 0.00 0.00 0.00 176.54 178.01 3ag4 h LEU 31 N 0.23 0.78 0.06 3.11 3.38 -0.97 0.39 115.31 122.28 3ag4 h LEU 31 Ca 0.10 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3ag4 h LEU 31 Cb 0.04 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 3ag4 h LEU 31 CO -0.08 0.56 -0.37 0.74 0.09 0.00 0.00 178.44 179.38 3ag4 h THR 32 N 0.92 0.23 -0.37 0.22 2.02 -1.02 0.63 112.91 115.53 3ag4 h THR 32 Ca 0.26 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.52 3ag4 h THR 32 Cb -0.07 0.23 -0.08 0.00 -1.74 0.00 0.00 68.15 66.48 3ag4 h THR 32 CO -0.07 0.00 -0.22 -0.03 0.37 0.00 0.00 175.52 175.57 3ag4 h MET 33 N -0.56 -0.15 -0.02 6.66 -1.53 -0.37 -1.37 114.93 117.58 3ag4 h MET 33 Ca 0.04 0.01 0.03 0.00 -3.44 0.00 0.00 59.70 56.34 3ag4 h MET 33 Cb 0.62 0.03 -0.04 0.00 -0.55 0.00 0.00 31.60 31.66 3ag4 h MET 33 CO -0.26 -0.10 -0.23 2.35 0.14 0.00 0.00 176.91 178.82 3ag4 h TRP 34 N -0.16 -0.60 -0.01 1.39 7.01 -0.25 0.42 115.95 123.74 3ag4 h TRP 34 Ca 0.18 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.15 3ag4 h TRP 34 Cb 0.44 0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.76 3ag4 h TRP 34 CO -0.44 -0.31 -0.26 0.74 -2.79 0.00 0.00 178.44 175.38 3ag4 h PHE 35 N -0.35 0.02 0.00 2.65 0.04 0.67 -3.32 116.94 116.66 3ag4 h PHE 35 Ca 0.07 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 3ag4 h PHE 35 Cb 0.44 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.58 3ag4 h PHE 35 CO -0.27 0.28 -0.40 0.72 -0.60 0.00 0.00 178.31 178.03 3ag4 n HIS 36 N -4.22 0.00 -2.40 -0.55 8.25 -0.55 -4.77 115.22 110.97 3ag4 n HIS 36 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.34 3ag4 n HIS 36 Cb 0.32 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.47 3ag4 n HIS 36 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3ag4 n PHE 37 N -0.81 1.76 0.00 4.41 3.72 0.14 -5.03 117.46 121.65 3ag4 n PHE 37 Ca 0.00 -2.04 0.00 0.00 -0.05 0.00 0.00 57.45 55.36 3ag4 n PHE 37 Cb 0.00 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 3ag4 n PHE 37 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3ag4 n ASN 38 N -0.61 0.00 -3.69 4.37 5.15 -1.13 -4.81 115.26 114.54 3ag4 n ASN 38 Ca 0.24 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.11 3ag4 n ASN 38 Cb 0.89 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 40.04 3ag4 n ASN 38 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3ag4 s SER 39 N 0.00 -0.55 0.00 1.20 0.15 -1.18 -4.99 113.70 108.33 3ag4 s SER 39 Ca 0.00 0.97 0.22 0.00 0.70 0.00 0.00 55.95 57.83 3ag4 s SER 39 Cb 0.00 0.87 0.52 0.00 -1.71 0.00 0.00 66.02 65.70 3ag4 s SER 39 CO 0.00 -0.19 1.44 0.23 1.20 0.00 0.00 173.24 175.92 3ag4 n MET 40 N 3.97 2.36 0.05 5.44 2.81 -1.26 -1.95 117.12 128.53 3ag4 n MET 40 Ca -0.21 -2.07 -0.03 0.00 -1.81 0.00 0.00 57.70 53.59 3ag4 n MET 40 Cb 0.56 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.57 3ag4 n MET 40 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3ag4 h THR 41 N 3.86 0.00 -0.83 2.03 2.02 -1.97 -1.22 112.91 116.81 3ag4 h THR 41 Ca 0.00 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.38 3ag4 h THR 41 Cb 0.86 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.14 3ag4 h THR 41 CO 0.00 0.00 0.25 -0.07 0.37 0.00 0.00 175.52 176.07 3ag4 h LEU 42 N -0.15 0.09 -0.63 2.58 3.38 -1.89 -2.52 115.31 116.18 3ag4 h LEU 42 Ca -0.01 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3ag4 h LEU 42 Cb 0.12 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3ag4 h LEU 42 CO 0.00 -0.07 0.32 0.25 0.09 0.00 0.00 178.44 179.04 3ag4 h LEU 43 N 0.29 0.80 -0.49 1.67 5.85 -1.69 -0.59 115.31 121.15 3ag4 h LEU 43 Ca 0.50 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 59.05 3ag4 h LEU 43 Cb 0.93 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 3ag4 h LEU 43 CO -0.57 0.69 0.09 0.24 -0.34 0.00 0.00 178.44 178.56 3ag4 h MET 44 N 0.86 0.81 -0.18 1.25 2.86 -0.80 -0.42 114.93 119.30 3ag4 h MET 44 Ca 0.22 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3ag4 h MET 44 Cb 0.09 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 3ag4 h MET 44 CO -0.03 0.80 0.10 0.82 1.06 0.00 0.00 176.91 179.66 3ag4 h ILE 45 N 0.68 1.10 -0.33 -1.22 2.04 -1.34 -1.64 117.51 116.80 3ag4 h ILE 45 Ca 0.15 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.80 3ag4 h ILE 45 Cb 0.38 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 3ag4 h ILE 45 CO 0.01 0.09 0.03 1.23 0.00 0.00 0.00 178.15 179.51 3ag4 h GLY 46 N 0.19 0.35 0.61 5.37 0.00 -0.99 0.13 103.07 108.73 3ag4 h GLY 46 Ca 0.06 0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.50 3ag4 h GLY 46 CO -0.01 -0.05 0.60 1.41 0.00 0.00 0.00 176.54 178.49 3ag4 h LEU 47 N 0.13 0.92 0.03 3.11 3.38 -1.03 -0.53 115.31 121.32 3ag4 h LEU 47 Ca 0.16 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3ag4 h LEU 47 Cb 0.20 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3ag4 h LEU 47 CO -0.25 0.54 -0.02 0.74 0.09 0.00 0.00 178.44 179.55 3ag4 h THR 48 N 1.03 1.20 0.00 0.22 2.02 -0.59 -1.41 112.91 115.39 3ag4 h THR 48 Ca 0.44 -0.75 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 3ag4 h THR 48 Cb 0.31 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 3ag4 h THR 48 CO -0.22 0.19 -0.32 0.71 0.37 0.00 0.00 175.52 176.25 3ag4 h THR 49 N -0.37 0.73 0.29 3.16 1.35 -0.54 -0.20 112.91 117.33 3ag4 h THR 49 Ca -0.00 -1.44 -0.01 0.00 -0.55 0.00 0.00 66.41 64.40 3ag4 h THR 49 Cb 0.35 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 3ag4 h THR 49 CO 0.01 0.32 -0.14 -1.13 -0.25 0.00 0.00 175.52 174.32 3ag4 h ASN 50 N 0.00 -0.33 -0.79 5.36 -1.24 -0.94 0.17 115.58 117.81 3ag4 h ASN 50 Ca -0.00 -0.06 0.02 0.00 0.71 0.00 0.00 56.30 56.97 3ag4 h ASN 50 Cb 0.90 0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.99 3ag4 h ASN 50 CO 0.04 -0.15 0.51 0.24 -1.29 0.00 0.00 177.43 176.79 3ag4 h MET 51 N -0.50 0.99 -0.20 6.67 2.86 -0.90 -0.56 114.93 123.28 3ag4 h MET 51 Ca -0.04 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3ag4 h MET 51 Cb 0.38 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 3ag4 h MET 51 CO 0.07 0.65 0.13 -0.07 1.06 0.00 0.00 176.91 178.75 3ag4 h LEU 52 N 1.02 0.24 0.14 1.22 3.38 -0.98 -0.63 115.31 119.70 3ag4 h LEU 52 Ca 0.31 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.25 3ag4 h LEU 52 Cb -0.04 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3ag4 h LEU 52 CO -0.09 0.21 -0.23 0.74 0.09 0.00 0.00 178.44 179.15 3ag4 h THR 53 N 0.25 0.49 -0.48 0.22 2.02 -0.30 -1.85 112.91 113.26 3ag4 h THR 53 Ca 0.07 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.27 3ag4 h THR 53 Cb 0.01 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 3ag4 h THR 53 CO -0.01 0.00 0.29 0.24 0.37 0.00 0.00 175.52 176.41 3ag4 h MET 54 N -0.44 0.58 -0.16 6.66 2.86 -1.09 0.36 114.93 123.70 3ag4 h MET 54 Ca 0.02 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.68 3ag4 h MET 54 Cb 0.45 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 31.92 3ag4 h MET 54 CO -0.11 0.38 -0.27 -0.92 1.06 0.00 0.00 176.91 177.04 3ag4 h TYR 55 N 0.59 -0.74 -0.15 -0.22 3.20 -0.96 -1.95 116.97 116.74 3ag4 h TYR 55 Ca 0.19 0.04 -0.20 0.00 3.14 0.00 0.00 58.73 61.90 3ag4 h TYR 55 Cb -0.01 0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.62 3ag4 h TYR 55 CO -0.06 -0.35 -0.70 1.96 -1.64 0.00 0.00 178.16 177.36 3ag4 h GLN 56 N -0.33 0.63 0.09 1.82 4.20 -1.18 -0.34 115.11 120.01 3ag4 h GLN 56 Ca 0.11 -0.48 -0.00 0.00 0.06 0.00 0.00 58.65 58.33 3ag4 h GLN 56 Cb 0.50 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.37 3ag4 h GLN 56 CO -0.35 1.10 -0.04 2.35 -0.67 0.00 0.00 178.83 181.22 3ag4 h TRP 57 N 0.44 -0.12 -0.01 2.96 2.91 -0.91 -0.38 115.95 120.85 3ag4 h TRP 57 Ca -0.03 -0.00 -0.12 0.00 1.13 0.00 0.00 58.89 59.87 3ag4 h TRP 57 Cb 1.30 0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 29.97 3ag4 h TRP 57 CO 0.06 0.16 -0.54 -1.49 -1.03 0.00 0.00 178.44 175.60 3ag4 h TRP 58 N -0.39 0.04 -0.41 2.65 6.55 -1.38 -2.08 115.95 120.93 3ag4 h TRP 58 Ca -0.01 -0.01 0.07 0.00 0.95 0.00 0.00 58.89 59.89 3ag4 h TRP 58 Cb 0.33 -0.01 -0.07 0.00 -0.86 0.00 0.00 29.16 28.55 3ag4 h TRP 58 CO 0.01 0.57 0.00 -0.09 -1.05 0.00 0.00 178.44 177.88 3ag4 h ARG 59 N 0.02 0.11 -0.28 0.49 2.43 -1.00 -1.87 114.38 114.28 3ag4 h ARG 59 Ca -0.00 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 3ag4 h ARG 59 Cb 0.97 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 3ag4 h ARG 59 CO 0.07 0.07 -0.18 -0.44 -1.51 0.00 0.00 179.97 177.99 3ag4 h ASP 60 N 0.11 0.48 -0.87 -3.80 3.32 -0.50 -0.60 116.42 114.56 3ag4 h ASP 60 Ca 0.20 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3ag4 h ASP 60 Cb 0.29 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 3ag4 h ASP 60 CO -0.33 0.68 0.48 0.58 -1.72 0.00 0.00 179.24 178.92 3ag4 h VAL 61 N 0.45 1.25 -0.40 -1.35 2.07 -0.98 0.13 116.25 117.42 3ag4 h VAL 61 Ca 0.08 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 3ag4 h VAL 61 Cb 0.57 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3ag4 h VAL 61 CO 0.04 0.28 0.12 0.40 0.02 0.00 0.00 177.57 178.43 3ag4 h ILE 62 N 1.22 1.22 -0.57 4.57 2.04 -0.83 -1.51 117.51 123.65 3ag4 h ILE 62 Ca 0.31 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.46 3ag4 h ILE 62 Cb 0.02 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3ag4 h ILE 62 CO -0.05 0.25 0.36 0.03 0.00 0.00 0.00 178.15 178.75 3ag4 h ARG 63 N 0.50 0.71 0.00 2.37 3.08 -0.65 -0.52 114.38 119.87 3ag4 h ARG 63 Ca 0.13 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 3ag4 h ARG 63 Cb 0.27 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 3ag4 h ARG 63 CO -0.00 0.47 -0.14 0.93 -1.07 0.00 0.00 179.97 180.16 3ag4 h GLU 64 N 0.73 0.00 0.00 0.04 5.08 -0.81 0.26 114.58 119.88 3ag4 h GLU 64 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3ag4 h GLU 64 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3ag4 h GLU 64 CO -0.07 0.14 -0.42 -1.13 -1.00 0.00 0.00 179.01 176.53 3ag4 n SER 65 N -4.34 0.92 -0.21 1.42 3.41 -0.58 -0.08 113.62 114.16 3ag4 n SER 65 Ca -0.03 0.15 -0.08 0.00 -0.26 0.00 0.00 58.87 58.65 3ag4 n SER 65 Cb 0.21 -0.54 0.02 0.00 -0.26 0.00 0.00 64.21 63.64 3ag4 n SER 65 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3ag4 h THR 66 N -0.42 1.26 0.01 6.66 2.02 -1.29 -1.85 112.91 119.30 3ag4 h THR 66 Ca 0.00 -0.97 -0.34 0.00 0.77 0.00 0.00 66.41 65.86 3ag4 h THR 66 Cb 0.42 0.74 -0.06 0.00 -1.74 0.00 0.00 68.15 67.51 3ag4 h THR 66 CO 0.00 0.36 -2.12 0.49 0.37 0.00 0.00 175.52 174.62 3ag4 n PHE 67 N -4.32 0.45 0.61 3.16 0.99 -0.97 -4.51 117.46 112.87 3ag4 n PHE 67 Ca 0.03 0.15 0.08 0.00 -0.00 0.00 0.00 57.45 57.71 3ag4 n PHE 67 Cb 0.27 -1.08 -0.10 0.00 -1.00 0.00 0.00 39.48 37.57 3ag4 n PHE 67 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3ag4 n GLN 68 N -2.96 1.58 -1.40 -1.08 6.02 0.87 -5.01 117.38 115.39 3ag4 n GLN 68 Ca -0.28 -0.03 -0.05 0.00 -0.01 0.00 0.00 57.00 56.63 3ag4 n GLN 68 Cb 1.10 -1.27 -0.02 0.00 1.02 0.00 0.00 30.24 31.07 3ag4 n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ag4 n GLY 69 N 1.41 0.59 0.03 1.08 0.00 -0.70 -4.93 105.19 102.67 3ag4 n GLY 69 Ca 0.02 -0.80 0.11 0.00 0.00 0.00 0.00 46.02 45.35 3ag4 n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ag4 n HIS 70 N -3.18 0.22 -2.94 1.61 8.25 0.89 -4.37 115.22 115.70 3ag4 n HIS 70 Ca -0.05 0.07 -0.44 0.00 -0.26 0.00 0.00 57.72 57.04 3ag4 n HIS 70 Cb 0.27 -0.62 0.00 0.00 1.12 0.00 0.00 29.99 30.76 3ag4 n HIS 70 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3ag4 n HIS 71 N -1.69 4.34 -1.01 4.41 8.25 -1.26 -4.70 115.22 123.56 3ag4 n HIS 71 Ca 0.05 -3.30 -0.30 0.00 -0.26 0.00 0.00 57.72 53.91 3ag4 n HIS 71 Cb 0.28 -1.91 0.16 0.00 1.12 0.00 0.00 29.99 29.64 3ag4 n HIS 71 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3ag4 s THR 72 N 0.07 2.47 0.43 1.59 -4.23 -1.26 -4.68 115.64 110.02 3ag4 s THR 72 Ca 0.38 0.15 0.15 0.00 -1.18 0.00 0.00 61.69 61.19 3ag4 s THR 72 Cb -0.01 -2.49 0.35 0.00 1.34 0.00 0.00 72.50 71.68 3ag4 s THR 72 CO -0.01 -0.20 1.93 -0.65 -0.54 0.00 0.00 174.62 175.15 3ag4 h PRO 73 N -1.78 0.41 -0.44 3.99 0.11 -1.94 0.58 132.00 132.94 3ag4 h PRO 73 Ca -0.50 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 3ag4 h PRO 73 Cb 1.29 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3ag4 h PRO 73 CO 0.52 0.27 0.06 0.00 -0.21 0.00 0.00 178.00 178.64 3ag4 h ALA 74 N 1.65 0.58 -0.21 -0.75 0.00 -1.92 0.17 119.26 118.78 3ag4 h ALA 74 Ca 0.36 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3ag4 h ALA 74 Cb 0.80 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3ag4 h ALA 74 CO -0.11 0.31 -0.06 0.28 0.00 0.00 0.00 179.25 179.67 3ag4 h VAL 75 N 0.59 1.29 -0.84 0.00 2.07 -1.40 -1.88 116.25 116.06 3ag4 h VAL 75 Ca 0.13 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 3ag4 h VAL 75 Cb 0.40 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 3ag4 h VAL 75 CO 0.01 0.32 0.48 -0.61 0.02 0.00 0.00 177.57 177.79 3ag4 h GLN 76 N 0.12 1.16 -0.84 1.57 4.15 -0.75 -1.55 115.11 118.97 3ag4 h GLN 76 Ca 0.05 -0.13 0.01 0.00 0.77 0.00 0.00 58.65 59.35 3ag4 h GLN 76 Cb 0.51 -0.23 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 3ag4 h GLN 76 CO 0.02 0.84 0.56 -0.22 -1.93 0.00 0.00 178.83 178.10 3ag4 h LYS 77 N 1.17 1.11 -0.29 1.69 3.64 -0.84 -0.83 116.57 122.21 3ag4 h LYS 77 Ca 0.30 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 3ag4 h LYS 77 Cb 0.00 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 31.55 3ag4 h LYS 77 CO -0.05 0.73 0.12 0.78 -2.27 0.00 0.00 179.45 178.76 3ag4 h GLY 78 N 1.14 0.37 1.30 5.01 0.00 -0.47 -2.31 103.07 108.12 3ag4 h GLY 78 Ca 0.31 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.57 3ag4 h GLY 78 CO -0.07 0.05 0.46 1.41 0.00 0.00 0.00 176.54 178.39 3ag4 h LEU 79 N 0.26 0.78 -0.45 3.11 3.38 -0.96 0.70 115.31 122.13 3ag4 h LEU 79 Ca 0.12 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.15 3ag4 h LEU 79 Cb 0.07 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 3ag4 h LEU 79 CO -0.11 0.56 0.11 0.03 0.09 0.00 0.00 178.44 179.12 3ag4 h ARG 80 N 0.91 0.25 -0.36 1.13 3.08 -0.84 -1.17 114.38 117.38 3ag4 h ARG 80 Ca 0.26 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.30 3ag4 h ARG 80 Cb -0.08 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3ag4 h ARG 80 CO -0.06 0.16 0.23 1.88 -1.07 0.00 0.00 179.97 181.11 3ag4 h TYR 81 N 0.25 0.43 -0.62 3.04 0.05 -0.87 -2.13 116.97 117.12 3ag4 h TYR 81 Ca 0.22 0.01 0.08 0.00 0.05 0.00 0.00 58.73 59.09 3ag4 h TYR 81 Cb 0.26 -0.14 -0.06 0.00 1.01 0.00 0.00 36.73 37.80 3ag4 h TYR 81 CO -0.20 0.26 0.29 0.78 -1.05 0.00 0.00 178.16 178.24 3ag4 h GLY 82 N 0.47 0.89 1.26 3.88 0.00 -0.63 -0.08 103.07 108.85 3ag4 h GLY 82 Ca 0.14 -0.18 -0.15 0.00 0.00 0.00 0.00 47.33 47.14 3ag4 h GLY 82 CO -0.05 0.05 -0.39 1.98 0.00 0.00 0.00 176.54 178.14 3ag4 h MET 83 N 0.52 0.82 -0.39 4.80 1.85 -0.85 -1.00 114.93 120.67 3ag4 h MET 83 Ca 0.30 -0.42 -0.08 0.00 -0.61 0.00 0.00 59.70 58.89 3ag4 h MET 83 Cb 0.30 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.32 3ag4 h MET 83 CO -0.25 1.06 -0.06 0.82 -0.40 0.00 0.00 176.91 178.09 3ag4 h ILE 84 N 0.67 1.27 -0.77 1.77 2.04 -0.89 -1.37 117.51 120.23 3ag4 h ILE 84 Ca 0.06 -1.11 -0.05 0.00 1.00 0.00 0.00 64.86 64.76 3ag4 h ILE 84 Cb 0.95 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 3ag4 h ILE 84 CO 0.09 0.37 0.30 -0.07 0.00 0.00 0.00 178.15 178.84 3ag4 h LEU 85 N 0.54 1.07 -0.52 1.44 3.38 -0.94 -0.99 115.31 119.29 3ag4 h LEU 85 Ca 0.10 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3ag4 h LEU 85 Cb 0.56 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3ag4 h LEU 85 CO 0.03 0.96 0.07 0.15 0.09 0.00 0.00 178.44 179.73 3ag4 h PHE 86 N 1.13 0.94 -0.77 1.13 3.57 -0.82 -1.58 116.94 120.54 3ag4 h PHE 86 Ca 0.26 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3ag4 h PHE 86 Cb 0.23 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 3ag4 h PHE 86 CO 0.02 0.85 0.36 0.82 -2.23 0.00 0.00 178.31 178.13 3ag4 h ILE 87 N 0.75 1.24 -0.24 1.41 2.04 -0.86 -1.90 117.51 119.97 3ag4 h ILE 87 Ca 0.16 -0.70 0.05 0.00 1.00 0.00 0.00 64.86 65.37 3ag4 h ILE 87 Cb 0.43 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 3ag4 h ILE 87 CO 0.01 0.29 -0.12 0.40 0.00 0.00 0.00 178.15 178.74 3ag4 h ILE 88 N 1.09 0.63 -0.00 -0.67 2.04 -0.69 0.15 117.51 120.06 3ag4 h ILE 88 Ca 0.26 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.07 3ag4 h ILE 88 Cb 0.13 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3ag4 h ILE 88 CO -0.03 0.00 -0.24 0.77 0.00 0.00 0.00 178.15 178.65 3ag4 h SER 89 N -0.09 0.00 0.24 1.72 4.64 -0.72 -1.50 113.55 117.84 3ag4 h SER 89 Ca 0.13 -0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.32 3ag4 h SER 89 Cb 0.28 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 3ag4 h SER 89 CO -0.29 0.25 -0.49 -0.33 -0.87 0.00 0.00 176.83 175.10 3ag4 h GLU 90 N 0.00 0.29 -0.60 4.77 4.39 -0.49 -1.29 114.58 121.65 3ag4 h GLU 90 Ca -0.00 -0.16 -0.10 0.00 0.34 0.00 0.00 59.36 59.44 3ag4 h GLU 90 Cb 0.43 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 3ag4 h GLU 90 CO 0.03 0.71 -0.00 0.28 -1.16 0.00 0.00 179.01 178.87 3ag4 h VAL 91 N 0.23 1.26 -0.29 3.13 2.07 0.24 -1.30 116.25 121.60 3ag4 h VAL 91 Ca 0.01 -1.16 -0.09 0.00 0.82 0.00 0.00 66.70 66.29 3ag4 h VAL 91 Cb 0.94 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3ag4 h VAL 91 CO 0.08 0.42 -0.20 -0.07 0.02 0.00 0.00 177.57 177.81 3ag4 h LEU 92 N 0.97 0.53 0.14 2.57 -0.00 -1.05 -0.20 115.31 118.26 3ag4 h LEU 92 Ca 0.17 -0.17 -0.01 0.00 -0.00 0.00 0.00 57.88 57.88 3ag4 h LEU 92 Cb 0.56 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 3ag4 h LEU 92 CO 0.03 0.74 -0.06 0.15 -0.00 0.00 0.00 178.44 179.30 3ag4 h PHE 93 N 0.48 -0.17 -0.99 1.13 3.57 -0.97 -2.64 116.94 117.35 3ag4 h PHE 93 Ca 0.08 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.66 3ag4 h PHE 93 Cb 0.62 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.34 3ag4 h PHE 93 CO 0.02 -0.03 0.63 0.74 -2.23 0.00 0.00 178.31 177.45 3ag4 h PHE 94 N -0.27 1.17 -0.95 0.41 -1.00 -0.89 -2.23 116.94 113.17 3ag4 h PHE 94 Ca -0.02 0.03 0.10 0.00 2.81 0.00 0.00 57.97 60.89 3ag4 h PHE 94 Cb 0.22 -0.38 -0.08 0.00 3.61 0.00 0.00 35.95 39.32 3ag4 h PHE 94 CO -0.04 0.55 0.59 1.15 -1.61 0.00 0.00 178.31 178.95 3ag4 h THR 95 N 1.10 0.96 -0.57 -1.55 2.02 -0.77 0.17 112.91 114.27 3ag4 h THR 95 Ca 0.45 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 67.31 3ag4 h THR 95 Cb 0.28 -0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.55 3ag4 h THR 95 CO -0.21 0.18 0.38 1.23 0.37 0.00 0.00 175.52 177.47 3ag4 h GLY 96 N 0.99 0.79 1.93 2.16 0.00 -1.05 0.97 103.07 108.85 3ag4 h GLY 96 Ca 0.45 -0.29 -0.21 0.00 0.00 0.00 0.00 47.33 47.28 3ag4 h GLY 96 CO -0.24 0.27 -0.99 0.74 0.00 0.00 0.00 176.54 176.33 3ag4 h PHE 97 N 0.74 0.10 -0.54 5.60 0.04 -1.03 -2.13 116.94 119.72 3ag4 h PHE 97 Ca 0.21 -0.07 -0.10 0.00 2.80 0.00 0.00 57.97 60.82 3ag4 h PHE 97 Cb -0.04 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 3ag4 h PHE 97 CO -0.00 1.01 -0.05 0.74 -0.60 0.00 0.00 178.31 179.41 3ag4 h PHE 98 N 0.02 1.09 0.02 -0.55 0.04 -0.98 -1.81 116.94 114.76 3ag4 h PHE 98 Ca -0.03 -0.21 0.02 0.00 2.80 0.00 0.00 57.97 60.55 3ag4 h PHE 98 Cb 1.72 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 39.56 3ag4 h PHE 98 CO 0.01 1.00 -0.18 2.35 -0.60 0.00 0.00 178.31 180.90 3ag4 h TRP 99 N 0.86 -0.46 -0.55 -0.55 2.91 -0.76 0.04 115.95 117.44 3ag4 h TRP 99 Ca 0.15 0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.28 3ag4 h TRP 99 Cb 0.60 0.20 -0.08 0.00 -0.51 0.00 0.00 29.16 29.38 3ag4 h TRP 99 CO 0.04 -0.26 0.08 0.00 -1.03 0.00 0.00 178.44 177.27 3ag4 h ALA 100 N 0.60 0.60 -0.38 2.65 0.00 -1.29 0.84 119.26 122.29 3ag4 h ALA 100 Ca 0.05 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3ag4 h ALA 100 Cb 0.36 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3ag4 h ALA 100 CO -0.16 -0.33 0.08 0.35 0.00 0.00 0.00 179.25 179.19 3ag4 h PHE 101 N 0.21 0.14 -0.02 0.00 3.57 -1.04 -2.53 116.94 117.26 3ag4 h PHE 101 Ca 0.28 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.59 3ag4 h PHE 101 Cb 0.41 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.15 3ag4 h PHE 101 CO -0.27 0.03 -0.89 1.88 -2.23 0.00 0.00 178.31 176.83 3ag4 h TYR 102 N 0.21 0.62 -0.37 0.41 -1.99 -0.65 -0.95 116.97 114.26 3ag4 h TYR 102 Ca 0.18 -0.32 0.07 0.00 2.00 0.00 0.00 58.73 60.66 3ag4 h TYR 102 Cb 0.20 -0.08 -0.07 0.00 2.00 0.00 0.00 36.73 38.79 3ag4 h TYR 102 CO -0.19 1.13 -0.08 1.25 -0.00 0.00 0.00 178.16 180.28 3ag4 h HIS 103 N 0.25 -0.17 0.02 4.88 2.76 -0.78 -1.56 115.15 120.55 3ag4 h HIS 103 Ca -0.07 0.03 -0.25 0.00 -2.20 0.00 0.00 60.37 57.89 3ag4 h HIS 103 Cb 1.52 0.13 0.01 0.00 1.55 0.00 0.00 27.41 30.62 3ag4 h HIS 103 CO 0.06 -0.15 -1.02 0.77 -1.30 0.00 0.00 177.93 176.30 3ag4 h SER 104 N 0.01 0.65 0.88 3.26 0.02 -1.39 -3.22 113.55 113.77 3ag4 h SER 104 Ca 0.18 -0.54 -0.18 0.00 -0.84 0.00 0.00 61.79 60.41 3ag4 h SER 104 Cb 0.27 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 3ag4 h SER 104 CO -0.37 1.35 -1.21 0.77 -1.14 0.00 0.00 176.83 176.23 3ag4 h SER 105 N 0.26 0.00 0.95 3.07 4.64 -1.11 -3.27 113.55 118.10 3ag4 h SER 105 Ca -0.11 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.10 3ag4 h SER 105 Cb 1.67 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.74 3ag4 h SER 105 CO 0.18 0.68 -0.54 -0.07 -0.87 0.00 0.00 176.83 176.21 3ag4 h LEU 106 N 0.00 0.00 -5.84 5.97 3.38 -1.41 -3.36 115.31 114.04 3ag4 h LEU 106 Ca -0.13 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.28 3ag4 h LEU 106 Cb 1.63 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.97 3ag4 h LEU 106 CO 0.07 0.54 -0.86 0.00 0.09 0.00 0.00 178.44 178.27 3ag4 n ALA 107 N -2.31 3.40 -1.70 1.53 0.00 -1.22 -5.10 120.51 115.11 3ag4 n ALA 107 Ca 0.00 -4.13 -0.43 0.00 0.00 0.00 0.00 53.44 48.88 3ag4 n ALA 107 Cb 0.64 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 19.22 3ag4 n ALA 107 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ag4 n PRO 108 N 0.51 2.67 -2.01 0.00 -0.04 -1.23 -4.85 135.00 130.04 3ag4 n PRO 108 Ca 0.27 0.96 -0.28 0.00 -0.04 0.00 0.00 63.50 64.42 3ag4 n PRO 108 Cb 0.49 -2.81 0.09 0.00 -0.04 0.00 0.00 33.50 31.23 3ag4 n PRO 108 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3ag4 s THR 109 N 1.56 2.09 0.34 0.52 -4.23 -1.26 -4.30 115.64 110.36 3ag4 s THR 109 Ca 0.78 -0.10 0.05 0.00 -1.18 0.00 0.00 61.69 61.24 3ag4 s THR 109 Cb -0.53 -3.00 0.30 0.00 1.34 0.00 0.00 72.50 70.61 3ag4 s THR 109 CO 0.35 0.00 1.91 -0.65 -0.54 0.00 0.00 174.62 175.69 3ag4 h PRO 110 N -0.92 0.79 -0.56 3.99 0.11 -1.94 0.01 132.00 133.48 3ag4 h PRO 110 Ca -0.45 -0.05 0.16 0.00 0.11 0.00 0.00 66.00 65.77 3ag4 h PRO 110 Cb 1.32 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3ag4 h PRO 110 CO 0.63 0.53 0.44 0.93 -0.21 0.00 0.00 178.00 180.32 3ag4 h GLU 111 N 0.82 0.00 0.00 1.05 3.07 -2.02 0.12 114.58 117.62 3ag4 h GLU 111 Ca 0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 3ag4 h GLU 111 Cb 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 3ag4 h GLU 111 CO -0.15 0.00 -0.18 1.28 -1.40 0.00 0.00 179.01 178.55 3ag4 n LEU 112 N -4.17 0.34 0.00 1.33 4.77 -0.61 -4.90 117.00 113.76 3ag4 n LEU 112 Ca 0.11 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 3ag4 n LEU 112 Cb 0.67 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3ag4 n LEU 112 CO 0.35 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3ag4 n GLY 113 N 1.45 0.80 2.57 -0.72 0.00 0.43 -1.10 105.19 108.63 3ag4 n GLY 113 Ca 0.06 -0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 3ag4 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag4 n GLY 114 N -2.38 -0.50 3.20 -0.02 0.00 -0.11 -4.93 105.19 100.45 3ag4 n GLY 114 Ca 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 3ag4 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag4 s TRP 116 N -3.99 0.68 0.69 0.00 -0.11 -1.26 -3.55 118.94 111.41 3ag4 s TRP 116 Ca 0.18 -0.15 -0.16 0.00 1.22 0.00 0.00 56.10 57.19 3ag4 s TRP 116 Cb 0.06 -0.50 -0.00 0.00 -1.50 0.00 0.00 33.47 31.53 3ag4 s TRP 116 CO -0.02 -0.07 1.01 -2.30 -4.62 0.00 0.00 176.95 170.96 3ag4 n PRO 117 N 3.25 0.64 -0.77 5.86 -0.02 -1.26 -4.97 135.00 137.73 3ag4 n PRO 117 Ca -0.17 0.27 -0.31 0.00 -2.02 0.00 0.00 63.50 61.27 3ag4 n PRO 117 Cb 0.55 -2.26 0.16 0.00 -0.02 0.00 0.00 33.50 31.93 3ag4 n PRO 117 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3ag4 s PRO 118 N -3.26 1.16 0.10 0.52 0.02 -1.23 -4.88 135.00 127.43 3ag4 s PRO 118 Ca 0.75 1.49 -0.36 0.00 0.02 0.00 0.00 61.00 62.90 3ag4 s PRO 118 Cb -0.36 -1.75 -0.16 0.00 0.02 0.00 0.00 34.50 32.25 3ag4 s PRO 118 CO 0.48 -2.51 1.34 2.41 -0.33 0.00 0.00 177.00 178.39 3ag4 n THR 119 N -4.15 0.09 -0.61 0.99 -1.04 -0.26 -1.89 114.28 107.42 3ag4 n THR 119 Ca 0.11 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3ag4 n THR 119 Cb 0.52 -0.88 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 3ag4 n THR 119 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ag4 n GLY 120 N 2.54 0.78 3.70 3.41 0.00 -1.26 -4.97 105.19 109.39 3ag4 n GLY 120 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3ag4 n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ag4 s ILE 121 N -2.92 5.12 -0.39 -0.61 -1.09 -0.79 -5.07 121.20 115.46 3ag4 s ILE 121 Ca 0.00 0.08 0.03 0.00 -2.23 0.00 0.00 60.65 58.53 3ag4 s ILE 121 Cb 0.00 -3.31 0.11 0.00 -1.58 0.00 0.00 42.46 37.68 3ag4 s ILE 121 CO 0.00 0.47 0.12 -1.00 -1.23 0.00 0.00 174.94 173.30 3ag4 s HIS 122 N 0.21 3.62 0.61 3.97 3.76 -1.26 -4.81 115.29 121.39 3ag4 s HIS 122 Ca 0.07 -2.96 -0.19 0.00 -0.15 0.00 0.00 55.06 51.83 3ag4 s HIS 122 Cb -0.12 -2.95 -0.03 0.00 1.11 0.00 0.00 32.58 30.59 3ag4 s HIS 122 CO -0.01 -0.91 1.16 -2.30 -0.85 0.00 0.00 174.74 171.83 3ag4 n PRO 123 N 4.04 1.09 -1.59 8.40 -0.02 -1.26 -4.83 135.00 140.83 3ag4 n PRO 123 Ca 0.04 0.42 -0.39 0.00 -2.02 0.00 0.00 63.50 61.54 3ag4 n PRO 123 Cb 0.40 -2.37 0.03 0.00 -0.02 0.00 0.00 33.50 31.54 3ag4 n PRO 123 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3ag4 n LEU 124 N -1.28 2.71 -4.67 2.45 4.77 -1.26 -4.96 117.00 114.77 3ag4 n LEU 124 Ca 0.14 0.89 -0.43 0.00 -0.03 0.00 0.00 56.01 56.59 3ag4 n LEU 124 Cb 0.47 -1.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.20 3ag4 n LEU 124 CO 0.49 -1.91 1.13 0.21 -1.33 0.00 0.00 177.39 175.99 3ag4 s ASN 125 N -1.01 6.88 0.10 -1.43 3.84 -1.26 -4.91 114.94 117.15 3ag4 s ASN 125 Ca 0.69 1.88 0.16 0.00 0.21 0.00 0.00 52.86 55.80 3ag4 s ASN 125 Cb -0.48 -2.54 0.70 0.00 -0.55 0.00 0.00 41.25 38.38 3ag4 s ASN 125 CO 0.53 -0.77 1.50 -0.81 -2.79 0.00 0.00 177.10 174.76 3ag4 n PRO 126 N 6.38 0.07 -0.13 0.43 -0.04 -1.26 -1.43 135.00 139.02 3ag4 n PRO 126 Ca 0.14 0.36 0.10 0.00 -0.04 0.00 0.00 63.50 64.07 3ag4 n PRO 126 Cb 0.44 -1.65 0.30 0.00 -0.04 0.00 0.00 33.50 32.56 3ag4 n PRO 126 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ag4 n LEU 127 N -1.79 2.25 0.00 1.53 7.99 -1.26 -1.97 117.00 123.75 3ag4 n LEU 127 Ca 0.02 -0.98 0.00 0.00 -0.01 0.00 0.00 56.01 55.04 3ag4 n LEU 127 Cb 0.16 -0.17 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 3ag4 n LEU 127 CO 0.14 0.49 0.00 -0.62 -1.51 0.00 0.00 177.39 175.89 3ag4 n GLU 128 N 0.71 0.00 -0.21 3.23 1.02 -0.51 -4.68 120.64 120.19 3ag4 n GLU 128 Ca 0.17 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.24 3ag4 n GLU 128 Cb 0.41 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.90 3ag4 n GLU 128 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ag4 h VAL 129 N 0.00 1.26 -0.80 2.62 2.07 -1.86 -2.30 116.25 117.24 3ag4 h VAL 129 Ca 0.00 -1.04 0.10 0.00 0.82 0.00 0.00 66.70 66.57 3ag4 h VAL 129 Cb 0.00 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 3ag4 h VAL 129 CO 0.00 0.39 0.52 -0.65 0.02 0.00 0.00 177.57 177.85 3ag4 h PRO 130 N 0.97 0.71 -0.23 1.57 0.11 -1.78 0.19 132.00 133.54 3ag4 h PRO 130 Ca 0.19 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.20 3ag4 h PRO 130 Cb 0.46 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 3ag4 h PRO 130 CO 0.02 0.47 -0.10 1.25 -0.21 0.00 0.00 178.00 179.43 3ag4 h LEU 131 N 0.73 0.48 -0.26 2.35 5.85 -1.01 -2.10 115.31 121.35 3ag4 h LEU 131 Ca 0.37 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.70 3ag4 h LEU 131 Cb 0.46 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3ag4 h LEU 131 CO -0.14 0.77 0.16 0.25 -0.34 0.00 0.00 178.44 179.14 3ag4 h LEU 132 N 0.18 0.27 -0.84 2.25 5.85 -0.75 -1.23 115.31 121.05 3ag4 h LEU 132 Ca 0.05 -0.00 0.18 0.00 0.84 0.00 0.00 57.88 58.95 3ag4 h LEU 132 Cb 0.58 -0.06 -0.11 0.00 0.37 0.00 0.00 40.66 41.44 3ag4 h LEU 132 CO 0.03 0.20 0.37 0.78 -0.34 0.00 0.00 178.44 179.48 3ag4 h ASN 133 N 0.33 0.35 -0.49 1.25 2.35 -0.66 0.13 115.58 118.84 3ag4 h ASN 133 Ca 0.10 0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 3ag4 h ASN 133 Cb -0.03 0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 3ag4 h ASN 133 CO -0.03 0.08 0.27 0.74 -1.65 0.00 0.00 177.43 176.84 3ag4 h THR 134 N 0.47 1.17 -0.06 2.81 2.02 -0.99 -1.66 112.91 116.67 3ag4 h THR 134 Ca 0.49 -0.43 -0.13 0.00 0.77 0.00 0.00 66.41 67.11 3ag4 h THR 134 Cb 0.82 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 3ag4 h THR 134 CO -0.45 0.18 -0.54 0.77 0.37 0.00 0.00 175.52 175.85 3ag4 h SER 135 N 0.65 0.19 0.24 4.18 4.64 0.04 -1.74 113.55 121.75 3ag4 h SER 135 Ca 0.17 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 3ag4 h SER 135 Cb 0.05 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3ag4 h SER 135 CO -0.03 0.69 -0.11 0.58 -0.87 0.00 0.00 176.83 177.09 3ag4 h VAL 136 N 0.13 0.79 -0.09 0.95 2.07 -0.60 0.13 116.25 119.63 3ag4 h VAL 136 Ca 0.00 -0.14 -0.14 0.00 0.82 0.00 0.00 66.70 67.25 3ag4 h VAL 136 Cb 0.99 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3ag4 h VAL 136 CO 0.08 0.03 -0.55 -0.07 0.02 0.00 0.00 177.57 177.08 3ag4 h LEU 137 N -0.39 0.29 0.05 2.57 3.38 -1.17 -1.25 115.31 118.79 3ag4 h LEU 137 Ca -0.03 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3ag4 h LEU 137 Cb 0.30 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3ag4 h LEU 137 CO 0.05 0.79 -0.02 -0.07 0.09 0.00 0.00 178.44 179.28 3ag4 h LEU 138 N 0.20 -0.05 -1.60 1.67 3.38 -1.25 -0.71 115.31 116.96 3ag4 h LEU 138 Ca 0.00 -0.29 0.13 0.00 0.09 0.00 0.00 57.88 57.81 3ag4 h LEU 138 Cb 1.04 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 3ag4 h LEU 138 CO 0.09 0.26 0.46 0.00 0.09 0.00 0.00 178.44 179.34 3ag4 h ALA 139 N 0.56 2.07 0.00 1.53 0.00 -0.77 -0.18 119.26 122.47 3ag4 h ALA 139 Ca -0.01 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3ag4 h ALA 139 Cb 0.34 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3ag4 h ALA 139 CO 0.01 -0.24 -0.58 0.66 0.00 0.00 0.00 179.25 179.10 3ag4 h SER 140 N 0.42 0.00 0.39 0.00 4.64 -0.48 -0.47 113.55 118.05 3ag4 h SER 140 Ca 0.33 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.54 3ag4 h SER 140 Cb 0.72 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3ag4 h SER 140 CO -0.10 0.58 -0.48 1.23 -0.87 0.00 0.00 176.83 177.19 3ag4 h GLY 141 N 2.65 0.12 0.67 -0.77 0.00 0.43 -1.04 103.07 105.13 3ag4 h GLY 141 Ca -0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 3ag4 h GLY 141 CO 0.07 0.11 -0.13 -2.08 0.00 0.00 0.00 176.54 174.51 3ag4 h VAL 142 N 0.09 1.38 -0.07 4.60 2.07 -0.75 -2.97 116.25 120.59 3ag4 h VAL 142 Ca 0.00 -1.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.12 3ag4 h VAL 142 Cb 0.88 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 3ag4 h VAL 142 CO 0.07 0.38 -0.22 0.77 0.02 0.00 0.00 177.57 178.59 3ag4 h SER 143 N -0.16 0.10 0.95 0.57 4.64 -1.07 -0.85 113.55 117.73 3ag4 h SER 143 Ca 0.01 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 3ag4 h SER 143 Cb 0.68 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 3ag4 h SER 143 CO 0.03 0.33 -0.45 -0.29 -0.87 0.00 0.00 176.83 175.58 3ag4 h ILE 144 N 0.10 0.97 -0.23 0.95 2.10 -1.23 -1.42 117.51 118.76 3ag4 h ILE 144 Ca 0.02 -1.80 -0.12 0.00 1.08 0.00 0.00 64.86 64.04 3ag4 h ILE 144 Cb 0.44 2.09 -0.00 0.00 -1.09 0.00 0.00 36.82 38.26 3ag4 h ILE 144 CO 0.03 0.44 -0.31 0.74 -1.08 0.00 0.00 178.15 177.98 3ag4 h THR 145 N 0.00 1.32 -0.17 2.19 2.02 -1.04 -1.96 112.91 115.27 3ag4 h THR 145 Ca -0.00 -1.50 0.05 0.00 0.77 0.00 0.00 66.41 65.72 3ag4 h THR 145 Cb 1.05 1.73 -0.05 0.00 -1.74 0.00 0.00 68.15 69.14 3ag4 h THR 145 CO 0.06 0.47 -0.17 -0.25 0.37 0.00 0.00 175.52 175.99 3ag4 h TRP 146 N 0.32 -0.45 -0.45 3.16 7.01 -1.07 -0.90 115.95 123.57 3ag4 h TRP 146 Ca 0.03 0.03 0.08 0.00 2.11 0.00 0.00 58.89 61.13 3ag4 h TRP 146 Cb 0.88 0.22 -0.10 0.00 -2.10 0.00 0.00 29.16 28.07 3ag4 h TRP 146 CO 0.08 -0.25 -0.39 0.00 -2.79 0.00 0.00 178.44 175.09 3ag4 h ALA 147 N 0.87 -0.30 -0.22 2.65 0.00 -1.18 0.10 119.26 121.19 3ag4 h ALA 147 Ca 0.11 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3ag4 h ALA 147 Cb 0.36 0.84 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 3ag4 h ALA 147 CO -0.29 -0.80 -0.25 1.25 0.00 0.00 0.00 179.25 179.16 3ag4 h HIS 148 N -0.28 -0.67 -0.78 0.00 -0.00 -1.19 0.06 115.15 112.29 3ag4 h HIS 148 Ca 0.16 0.04 0.02 0.00 -0.00 0.00 0.00 60.37 60.59 3ag4 h HIS 148 Cb 0.57 0.33 -0.04 0.00 -0.00 0.00 0.00 27.41 28.26 3ag4 h HIS 148 CO -0.61 -0.33 0.51 0.45 -0.00 0.00 0.00 177.93 177.95 3ag4 h HIS 149 N -0.27 0.96 -0.57 5.26 -0.00 -0.81 -0.98 115.15 118.74 3ag4 h HIS 149 Ca 0.13 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.43 3ag4 h HIS 149 Cb 0.47 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.53 3ag4 h HIS 149 CO -0.39 0.59 0.01 0.77 -0.00 0.00 0.00 177.93 178.91 3ag4 h SER 150 N 1.02 0.94 -0.14 2.45 0.02 -0.47 0.59 113.55 117.98 3ag4 h SER 150 Ca 0.29 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3ag4 h SER 150 Cb -0.07 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 3ag4 h SER 150 CO -0.07 0.99 0.03 0.25 -1.14 0.00 0.00 176.83 176.89 3ag4 h LEU 151 N 0.89 0.22 -1.39 5.07 5.85 -0.45 0.18 115.31 125.68 3ag4 h LEU 151 Ca 0.17 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3ag4 h LEU 151 Cb 0.51 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 3ag4 h LEU 151 CO 0.03 0.40 0.32 0.24 -0.34 0.00 0.00 178.44 179.08 3ag4 h MET 152 N 0.02 0.73 -0.06 1.25 2.86 -0.90 0.56 114.93 119.38 3ag4 h MET 152 Ca 0.04 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3ag4 h MET 152 Cb 0.27 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.78 3ag4 h MET 152 CO 0.00 0.52 0.00 0.39 1.06 0.00 0.00 176.91 178.88 3ag4 n GLU 153 N -4.42 1.21 -1.31 1.72 1.02 0.18 -4.82 120.64 114.21 3ag4 n GLU 153 Ca 0.05 -0.31 -0.02 0.00 -0.02 0.00 0.00 57.16 56.85 3ag4 n GLU 153 Cb 0.08 -1.25 -0.01 0.00 -0.02 0.00 0.00 31.44 30.25 3ag4 n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ag4 n GLY 154 N 0.82 0.49 3.19 0.62 0.00 0.19 -5.01 105.19 105.48 3ag4 n GLY 154 Ca 0.11 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 3ag4 n GLY 154 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ag4 s ASP 155 N -2.96 5.62 0.09 1.61 -1.08 0.57 -4.93 116.67 115.58 3ag4 s ASP 155 Ca 0.00 -2.08 -0.18 0.00 -0.52 0.00 0.00 52.55 49.78 3ag4 s ASP 155 Cb 0.00 -1.97 -0.08 0.00 -1.46 0.00 0.00 42.92 39.42 3ag4 s ASP 155 CO 0.00 -0.62 1.51 -0.09 0.52 0.00 0.00 175.17 176.48 3ag4 h ARG 156 N 8.19 0.50 -0.27 4.34 2.43 -1.94 -1.79 114.38 125.84 3ag4 h ARG 156 Ca -0.16 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 58.81 3ag4 h ARG 156 Cb 1.05 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 3ag4 h ARG 156 CO 0.81 0.68 0.07 -0.22 -1.51 0.00 0.00 179.97 179.80 3ag4 h LYS 157 N 0.27 0.43 0.00 0.20 3.64 -1.97 -1.15 116.57 117.98 3ag4 h LYS 157 Ca 0.07 -0.10 -0.17 0.00 -1.27 0.00 0.00 60.65 59.18 3ag4 h LYS 157 Cb 0.47 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 3ag4 h LYS 157 CO 0.02 0.52 -0.82 0.45 -2.27 0.00 0.00 179.45 177.35 3ag4 h HIS 158 N 0.26 0.00 -0.08 1.91 3.86 -1.96 -0.61 115.15 118.53 3ag4 h HIS 158 Ca 0.08 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.33 3ag4 h HIS 158 Cb 0.28 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.71 3ag4 h HIS 158 CO 0.01 0.82 -0.19 1.98 0.86 0.00 0.00 177.93 181.41 3ag4 h MET 159 N 0.00 -0.26 -0.57 2.45 1.85 -1.12 -0.66 114.93 116.62 3ag4 h MET 159 Ca -0.01 0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.09 3ag4 h MET 159 Cb 1.48 0.06 -0.03 0.00 0.43 0.00 0.00 31.60 33.55 3ag4 h MET 159 CO 0.11 -0.17 0.32 -0.07 -0.40 0.00 0.00 176.91 176.69 3ag4 h LEU 160 N -0.27 0.70 -0.33 3.39 3.38 -0.96 0.19 115.31 121.41 3ag4 h LEU 160 Ca 0.08 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3ag4 h LEU 160 Cb 0.39 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3ag4 h LEU 160 CO -0.24 0.58 0.05 -0.61 0.09 0.00 0.00 178.44 178.32 3ag4 h GLN 161 N 0.76 0.54 -0.47 1.13 4.15 -1.01 0.13 115.11 120.34 3ag4 h GLN 161 Ca 0.20 -0.14 -0.09 0.00 0.77 0.00 0.00 58.65 59.38 3ag4 h GLN 161 Cb 0.03 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 3ag4 h GLN 161 CO -0.03 0.63 -0.08 0.00 -1.93 0.00 0.00 178.83 177.41 3ag4 h ALA 162 N 0.89 0.97 -0.38 3.38 0.00 -0.92 -0.83 119.26 122.37 3ag4 h ALA 162 Ca 0.10 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 3ag4 h ALA 162 Cb 0.35 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3ag4 h ALA 162 CO 0.01 0.61 -0.28 1.25 0.00 0.00 0.00 179.25 180.84 3ag4 h LEU 163 N 0.77 0.90 -0.19 0.00 5.85 -0.49 -1.38 115.31 120.78 3ag4 h LEU 163 Ca 0.13 -0.44 0.03 0.00 0.84 0.00 0.00 57.88 58.44 3ag4 h LEU 163 Cb 0.58 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3ag4 h LEU 163 CO 0.04 1.15 0.02 0.15 -0.34 0.00 0.00 178.44 179.46 3ag4 h PHE 164 N 0.66 0.03 -0.83 1.25 3.57 -0.50 -1.17 116.94 119.95 3ag4 h PHE 164 Ca 0.07 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.67 3ag4 h PHE 164 Cb 0.86 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.54 3ag4 h PHE 164 CO 0.06 0.00 0.49 0.82 -2.23 0.00 0.00 178.31 177.45 3ag4 h ILE 165 N 0.09 0.93 -0.62 1.41 2.04 -1.10 -0.80 117.51 119.46 3ag4 h ILE 165 Ca 0.09 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.70 3ag4 h ILE 165 Cb 0.09 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.16 3ag4 h ILE 165 CO -0.13 0.15 0.36 0.74 0.00 0.00 0.00 178.15 179.28 3ag4 h THR 166 N 0.83 1.03 -0.16 -0.27 2.02 -0.65 -0.64 112.91 115.06 3ag4 h THR 166 Ca 0.40 -0.24 -0.18 0.00 0.77 0.00 0.00 66.41 67.16 3ag4 h THR 166 Cb 0.34 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3ag4 h THR 166 CO -0.23 0.13 -0.63 0.40 0.37 0.00 0.00 175.52 175.55 3ag4 h ILE 167 N 0.70 1.32 -0.46 3.11 2.04 -0.77 -1.56 117.51 121.90 3ag4 h ILE 167 Ca 0.26 -1.91 0.03 0.00 1.00 0.00 0.00 64.86 64.24 3ag4 h ILE 167 Cb 0.08 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 3ag4 h ILE 167 CO -0.13 0.59 0.26 0.74 0.00 0.00 0.00 178.15 179.61 3ag4 h THR 168 N 0.43 1.02 -0.59 -0.27 2.02 -0.83 -0.17 112.91 114.52 3ag4 h THR 168 Ca -0.01 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 3ag4 h THR 168 Cb 1.21 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 3ag4 h THR 168 CO 0.12 0.09 0.24 -0.07 0.37 0.00 0.00 175.52 176.28 3ag4 h LEU 169 N 0.52 0.81 -0.89 2.58 3.38 -0.90 0.15 115.31 120.97 3ag4 h LEU 169 Ca 0.19 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3ag4 h LEU 169 Cb 0.05 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 3ag4 h LEU 169 CO -0.10 0.76 0.56 1.23 0.09 0.00 0.00 178.44 180.97 3ag4 h GLY 170 N 0.82 1.33 1.05 0.83 0.00 -0.70 -0.72 103.07 105.68 3ag4 h GLY 170 Ca 0.20 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 46.96 3ag4 h GLY 170 CO -0.02 0.30 -0.47 -2.08 0.00 0.00 0.00 176.54 174.27 3ag4 h VAL 171 N 1.03 1.30 -0.17 4.60 2.07 -0.69 -1.06 116.25 123.33 3ag4 h VAL 171 Ca 0.38 -1.67 0.04 0.00 0.82 0.00 0.00 66.70 66.27 3ag4 h VAL 171 Cb 0.14 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 3ag4 h VAL 171 CO -0.16 0.54 -0.10 0.22 0.02 0.00 0.00 177.57 178.08 3ag4 h TYR 172 N 0.51 -0.25 -0.52 1.57 3.20 -0.38 0.99 116.97 122.09 3ag4 h TYR 172 Ca 0.01 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.98 3ag4 h TYR 172 Cb 1.08 0.14 -0.07 0.00 1.54 0.00 0.00 36.73 39.42 3ag4 h TYR 172 CO 0.08 -0.16 0.15 0.35 -1.64 0.00 0.00 178.16 176.94 3ag4 h PHE 173 N -0.10 0.26 -0.47 -3.82 3.57 -0.97 0.32 116.94 115.73 3ag4 h PHE 173 Ca 0.10 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 3ag4 h PHE 173 Cb 0.25 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 3ag4 h PHE 173 CO -0.25 0.05 0.05 1.15 -2.23 0.00 0.00 178.31 177.08 3ag4 h THR 174 N 0.31 1.25 -0.43 4.41 2.02 -0.58 0.16 112.91 120.05 3ag4 h THR 174 Ca 0.26 -0.97 -0.10 0.00 0.77 0.00 0.00 66.41 66.36 3ag4 h THR 174 Cb 0.32 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 3ag4 h THR 174 CO -0.30 0.34 -0.14 -0.07 0.37 0.00 0.00 175.52 175.73 3ag4 h LEU 175 N 0.66 0.79 -1.00 2.58 3.38 -0.21 -1.25 115.31 120.27 3ag4 h LEU 175 Ca 0.14 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 3ag4 h LEU 175 Cb 0.44 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3ag4 h LEU 175 CO 0.02 0.94 -0.15 -0.07 0.09 0.00 0.00 178.44 179.27 3ag4 h LEU 176 N 0.71 0.54 -0.22 1.67 3.38 -0.10 -2.13 115.31 119.16 3ag4 h LEU 176 Ca 0.11 -0.15 -0.22 0.00 0.09 0.00 0.00 57.88 57.71 3ag4 h LEU 176 Cb 0.63 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3ag4 h LEU 176 CO 0.04 0.71 -0.87 -0.61 0.09 0.00 0.00 178.44 177.80 3ag4 h GLN 177 N 0.50 0.50 -0.67 1.13 5.75 -0.55 -1.17 115.11 120.60 3ag4 h GLN 177 Ca 0.09 -0.48 -0.07 0.00 -0.15 0.00 0.00 58.65 58.04 3ag4 h GLN 177 Cb 0.55 0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.20 3ag4 h GLN 177 CO 0.04 1.12 0.13 0.00 -2.65 0.00 0.00 178.83 177.46 3ag4 h ALA 178 N 0.73 0.88 -0.23 3.38 0.00 -1.07 -0.33 119.26 122.62 3ag4 h ALA 178 Ca -0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3ag4 h ALA 178 Cb 1.49 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3ag4 h ALA 178 CO 0.16 0.63 0.13 1.03 0.00 0.00 0.00 179.25 181.20 3ag4 h SER 179 N 1.02 0.29 -0.40 0.00 0.87 -1.29 -2.34 113.55 111.69 3ag4 h SER 179 Ca 0.21 -0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 3ag4 h SER 179 Cb 0.42 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 3ag4 h SER 179 CO 0.01 0.28 0.15 -0.33 -0.53 0.00 0.00 176.83 176.41 3ag4 h GLU 180 N 0.27 0.66 0.30 2.24 4.39 -0.93 0.23 114.58 121.75 3ag4 h GLU 180 Ca 0.08 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3ag4 h GLU 180 Cb 0.05 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3ag4 h GLU 180 CO -0.01 0.57 -0.15 1.88 -1.16 0.00 0.00 179.01 180.14 3ag4 h TYR 181 N 0.65 -0.38 -0.44 4.33 -1.99 -0.87 -0.24 116.97 118.03 3ag4 h TYR 181 Ca 0.16 -0.01 0.09 0.00 2.00 0.00 0.00 58.73 60.97 3ag4 h TYR 181 Cb 0.18 0.13 -0.09 0.00 2.00 0.00 0.00 36.73 38.94 3ag4 h TYR 181 CO 0.01 -0.20 -0.22 -0.92 -0.00 0.00 0.00 178.16 176.82 3ag4 h TYR 182 N -0.45 -0.57 0.00 4.88 5.03 -1.06 -2.65 116.97 122.15 3ag4 h TYR 182 Ca -0.04 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.32 3ag4 h TYR 182 Cb 0.34 0.32 0.00 0.00 1.55 0.00 0.00 36.73 38.94 3ag4 h TYR 182 CO -0.04 -0.30 0.00 0.93 -1.32 0.00 0.00 178.16 177.42 3ag4 h GLU 183 N -0.14 0.00 -6.70 1.82 4.39 -0.91 -3.46 114.58 109.58 3ag4 h GLU 183 Ca 0.21 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.38 3ag4 h GLU 183 Cb 0.46 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 29.17 3ag4 h GLU 183 CO -0.52 0.00 0.90 0.00 -1.16 0.00 0.00 179.01 178.23 3ag4 s ALA 184 N -3.54 3.80 -0.82 3.43 0.00 -0.11 -4.87 121.76 119.64 3ag4 s ALA 184 Ca 0.02 1.49 0.21 0.00 0.00 0.00 0.00 51.96 53.68 3ag4 s ALA 184 Cb 0.09 -3.64 0.86 0.00 0.00 0.00 0.00 23.12 20.42 3ag4 s ALA 184 CO 0.45 -0.88 1.65 -0.35 0.00 0.00 0.00 175.76 176.64 3ag4 n PRO 185 N 3.19 0.09 -4.29 0.00 -0.04 -1.26 -4.77 135.00 127.91 3ag4 n PRO 185 Ca 0.12 0.25 -0.24 0.00 -0.04 0.00 0.00 63.50 63.59 3ag4 n PRO 185 Cb 0.37 -1.64 -0.08 0.00 -0.04 0.00 0.00 33.50 32.12 3ag4 n PRO 185 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3ag4 s PHE 186 N -3.10 2.61 0.30 0.54 -0.12 -1.26 -5.05 117.98 111.89 3ag4 s PHE 186 Ca 0.08 -0.34 0.03 0.00 -0.05 0.00 0.00 56.93 56.65 3ag4 s PHE 186 Cb 0.11 -1.36 -0.06 0.00 -0.63 0.00 0.00 43.02 41.08 3ag4 s PHE 186 CO 0.39 0.53 0.08 0.95 -0.05 0.00 0.00 175.22 177.11 3ag4 s THR 187 N -2.43 0.90 0.42 -4.49 -4.23 -1.26 -5.02 115.64 99.53 3ag4 s THR 187 Ca 0.34 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 59.20 3ag4 s THR 187 Cb -0.03 -2.71 0.38 0.00 1.34 0.00 0.00 72.50 71.48 3ag4 s THR 187 CO 0.20 0.00 2.16 -0.29 -0.54 0.00 0.00 174.62 176.15 3ag4 h ILE 188 N 2.21 0.20 -0.30 2.99 2.10 -1.95 -0.71 117.51 122.05 3ag4 h ILE 188 Ca -0.39 -0.32 0.00 0.00 1.08 0.00 0.00 64.86 65.23 3ag4 h ILE 188 Cb 1.25 1.26 0.00 0.00 -1.09 0.00 0.00 36.82 38.24 3ag4 h ILE 188 CO 0.65 0.04 0.00 -1.54 -1.08 0.00 0.00 178.15 176.22 3ag4 n SER 189 N -3.29 2.09 -3.55 2.19 3.41 -1.26 -3.47 113.62 109.74 3ag4 n SER 189 Ca -0.02 -1.87 -0.41 0.00 -0.26 0.00 0.00 58.87 56.32 3ag4 n SER 189 Cb 0.19 -0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 3ag4 n SER 189 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ag4 n ASP 190 N 0.61 7.35 0.00 4.04 8.00 -0.27 -4.96 116.55 131.32 3ag4 n ASP 190 Ca 0.15 -3.05 0.00 0.00 0.71 0.00 0.00 54.79 52.61 3ag4 n ASP 190 Cb 0.36 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.04 3ag4 n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ag4 n GLY 191 N 2.30 0.33 0.16 0.44 0.00 -1.26 -1.82 105.19 105.34 3ag4 n GLY 191 Ca 0.59 -0.91 0.03 0.00 0.00 0.00 0.00 46.02 45.73 3ag4 n GLY 191 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3ag4 h VAL 192 N 0.00 1.04 0.08 1.61 3.04 -1.93 -0.40 116.25 119.69 3ag4 h VAL 192 Ca 0.00 -1.95 -0.00 0.00 -1.01 0.00 0.00 66.70 63.74 3ag4 h VAL 192 Cb 0.00 2.16 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 3ag4 h VAL 192 CO 0.00 0.49 -0.04 0.22 -1.01 0.00 0.00 177.57 177.23 3ag4 h TYR 193 N 0.00 -0.10 -0.84 3.17 3.20 -1.96 -0.15 116.97 120.29 3ag4 h TYR 193 Ca -0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3ag4 h TYR 193 Cb 1.12 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.39 3ag4 h TYR 193 CO 0.00 0.07 0.38 0.78 -1.64 0.00 0.00 178.16 177.75 3ag4 h GLY 194 N -0.25 1.31 0.97 1.82 0.00 -1.07 -1.55 103.07 104.30 3ag4 h GLY 194 Ca -0.01 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.62 3ag4 h GLY 194 CO 0.02 0.64 -0.22 1.76 0.00 0.00 0.00 176.54 178.74 3ag4 h SER 195 N 1.20 -0.52 -0.46 0.19 0.02 -0.86 -0.55 113.55 112.58 3ag4 h SER 195 Ca 0.29 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.19 3ag4 h SER 195 Cb 0.15 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 3ag4 h SER 195 CO -0.03 -0.34 0.12 0.71 -1.14 0.00 0.00 176.83 176.15 3ag4 h THR 196 N -0.65 1.23 0.14 -2.27 1.35 -1.03 -2.08 112.91 109.61 3ag4 h THR 196 Ca -0.06 -0.81 0.01 0.00 -0.55 0.00 0.00 66.41 64.99 3ag4 h THR 196 Cb 0.49 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 3ag4 h THR 196 CO 0.10 0.29 -0.15 0.15 -0.25 0.00 0.00 175.52 175.66 3ag4 h PHE 197 N 0.62 -0.39 0.05 4.73 3.57 -1.20 -2.29 116.94 122.03 3ag4 h PHE 197 Ca 0.15 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.38 3ag4 h PHE 197 Cb 0.32 0.15 0.02 0.00 2.79 0.00 0.00 35.95 39.23 3ag4 h PHE 197 CO 0.02 -0.23 -1.11 0.74 -2.23 0.00 0.00 178.31 175.50 3ag4 h PHE 198 N -0.32 0.93 -0.16 0.41 -1.00 -1.04 -1.85 116.94 113.90 3ag4 h PHE 198 Ca 0.01 -0.54 -0.22 0.00 2.81 0.00 0.00 57.97 60.02 3ag4 h PHE 198 Cb 0.31 -0.09 0.01 0.00 3.61 0.00 0.00 35.95 39.79 3ag4 h PHE 198 CO -0.14 1.38 -0.76 0.28 -1.61 0.00 0.00 178.31 177.46 3ag4 h VAL 199 N 0.31 1.28 0.08 -0.55 2.07 -1.44 0.63 116.25 118.62 3ag4 h VAL 199 Ca -0.14 -1.95 -0.00 0.00 0.82 0.00 0.00 66.70 65.42 3ag4 h VAL 199 Cb 1.77 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 33.51 3ag4 h VAL 199 CO 0.21 0.62 -0.04 0.00 0.02 0.00 0.00 177.57 178.38 3ag4 h ALA 200 N 0.55 -0.10 0.00 1.67 0.00 -1.50 -1.64 119.26 118.24 3ag4 h ALA 200 Ca -0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3ag4 h ALA 200 Cb 1.39 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 3ag4 h ALA 200 CO 0.16 -0.31 -0.20 1.79 0.00 0.00 0.00 179.25 180.69 3ag4 h THR 201 N -0.61 0.71 0.14 0.00 1.35 -1.41 -1.88 112.91 111.22 3ag4 h THR 201 Ca -0.01 -0.85 -0.01 0.00 -0.55 0.00 0.00 66.41 64.99 3ag4 h THR 201 Cb 0.50 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 3ag4 h THR 201 CO 0.02 0.20 -0.07 1.23 -0.25 0.00 0.00 175.52 176.65 3ag4 h GLY 202 N 1.23 -0.19 0.53 5.82 0.00 0.26 0.13 103.07 110.85 3ag4 h GLY 202 Ca -0.00 0.07 0.11 0.00 0.00 0.00 0.00 47.33 47.51 3ag4 h GLY 202 CO 0.03 -0.07 0.63 0.74 0.00 0.00 0.00 176.54 177.86 3ag4 h PHE 203 N -0.78 1.11 -0.69 5.60 0.04 -1.30 0.15 116.94 121.07 3ag4 h PHE 203 Ca -0.02 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 3ag4 h PHE 203 Cb 0.54 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 3ag4 h PHE 203 CO 0.09 0.46 0.38 1.25 -0.60 0.00 0.00 178.31 179.89 3ag4 h HIS 204 N 0.98 0.95 -0.61 -0.55 2.76 -1.24 -1.92 115.15 115.52 3ag4 h HIS 204 Ca 0.48 -0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.55 3ag4 h HIS 204 Cb 0.46 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.10 3ag4 h HIS 204 CO -0.00 0.67 0.06 0.78 -1.30 0.00 0.00 177.93 178.14 3ag4 h GLY 205 N 0.95 1.11 0.40 5.26 0.00 0.32 0.26 103.07 111.37 3ag4 h GLY 205 Ca 0.24 -0.77 0.05 0.00 0.00 0.00 0.00 47.33 46.86 3ag4 h GLY 205 CO -0.04 0.71 -0.11 -2.00 0.00 0.00 0.00 176.54 175.10 3ag4 h LEU 206 N 0.93 -0.37 -1.66 3.11 5.85 -0.51 -0.91 115.31 121.75 3ag4 h LEU 206 Ca 0.18 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.00 3ag4 h LEU 206 Cb 0.48 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 3ag4 h LEU 206 CO 0.02 -0.14 0.23 0.45 -0.34 0.00 0.00 178.44 178.66 3ag4 h HIS 207 N -0.08 0.44 -0.60 1.25 3.86 -0.52 0.55 115.15 120.05 3ag4 h HIS 207 Ca 0.13 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.29 3ag4 h HIS 207 Cb 0.27 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 3ag4 h HIS 207 CO -0.29 0.28 0.13 0.28 0.86 0.00 0.00 177.93 179.19 3ag4 h VAL 208 N 0.47 1.25 -0.36 2.45 2.07 0.31 0.23 116.25 122.67 3ag4 h VAL 208 Ca 0.13 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 3ag4 h VAL 208 Cb -0.05 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3ag4 h VAL 208 CO -0.03 0.35 0.04 0.40 0.02 0.00 0.00 177.57 178.35 3ag4 h ILE 209 N 0.88 1.24 -0.39 4.57 2.04 -0.06 0.27 117.51 126.06 3ag4 h ILE 209 Ca 0.19 -0.88 0.06 0.00 1.00 0.00 0.00 64.86 65.23 3ag4 h ILE 209 Cb 0.37 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 3ag4 h ILE 209 CO 0.00 0.30 0.08 0.40 0.00 0.00 0.00 178.15 178.93 3ag4 h ILE 210 N 0.45 0.79 -0.72 -0.67 2.04 -0.85 -0.55 117.51 118.00 3ag4 h ILE 210 Ca 0.11 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 3ag4 h ILE 210 Cb 0.38 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3ag4 h ILE 210 CO 0.01 0.04 0.23 1.23 0.00 0.00 0.00 178.15 179.65 3ag4 h GLY 211 N 0.20 1.21 0.91 5.37 0.00 -0.66 -1.35 103.07 108.75 3ag4 h GLY 211 Ca 0.19 -0.71 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 3ag4 h GLY 211 CO -0.25 0.67 0.05 1.76 0.00 0.00 0.00 176.54 178.76 3ag4 h SER 212 N 1.07 0.57 -0.68 0.19 0.02 -0.16 -0.17 113.55 114.37 3ag4 h SER 212 Ca 0.23 -0.27 0.07 0.00 -0.84 0.00 0.00 61.79 60.98 3ag4 h SER 212 Cb 0.30 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.63 3ag4 h SER 212 CO -0.01 0.69 0.37 0.74 -1.14 0.00 0.00 176.83 177.49 3ag4 h THR 213 N 0.42 0.95 -0.38 -2.27 2.02 -0.89 -0.12 112.91 112.63 3ag4 h THR 213 Ca 0.11 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 3ag4 h THR 213 Cb 0.37 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3ag4 h THR 213 CO 0.01 0.12 0.18 0.15 0.37 0.00 0.00 175.52 176.35 3ag4 h PHE 214 N 0.68 0.55 -0.95 3.16 3.04 -0.99 0.00 116.94 122.43 3ag4 h PHE 214 Ca 0.31 -0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.24 3ag4 h PHE 214 Cb 0.22 -0.17 -0.05 0.00 2.56 0.00 0.00 35.95 38.52 3ag4 h PHE 214 CO -0.08 0.47 0.62 -0.07 -2.02 0.00 0.00 178.31 177.23 3ag4 h LEU 215 N 0.47 1.10 -1.07 0.59 3.38 -0.53 -0.58 115.31 118.67 3ag4 h LEU 215 Ca 0.13 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3ag4 h LEU 215 Cb 0.13 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3ag4 h LEU 215 CO -0.02 0.81 0.54 0.40 0.09 0.00 0.00 178.44 180.26 3ag4 h ILE 216 N 1.29 1.24 -0.09 1.22 2.04 -0.50 0.12 117.51 122.82 3ag4 h ILE 216 Ca 0.35 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 3ag4 h ILE 216 Cb -0.13 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 35.94 3ag4 h ILE 216 CO -0.07 0.24 0.05 0.58 0.00 0.00 0.00 178.15 178.95 3ag4 h VAL 217 N 1.19 1.09 -0.60 1.67 2.07 -0.20 -0.37 116.25 121.11 3ag4 h VAL 217 Ca 0.31 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.64 3ag4 h VAL 217 Cb -0.07 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3ag4 h VAL 217 CO -0.06 0.08 0.40 0.00 0.02 0.00 0.00 177.57 178.01 3ag4 h PHE 219 N 0.58 0.55 -0.65 0.00 3.57 0.19 0.71 116.94 121.90 3ag4 h PHE 219 Ca 0.26 -0.10 -0.09 0.00 3.53 0.00 0.00 57.97 61.57 3ag4 h PHE 219 Cb 0.28 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 3ag4 h PHE 219 CO -0.00 0.67 0.07 0.74 -2.23 0.00 0.00 178.31 177.56 3ag4 h PHE 220 N 0.28 1.18 -0.44 0.41 0.04 -0.68 -0.03 116.94 117.70 3ag4 h PHE 220 Ca 0.08 -0.18 -0.11 0.00 2.80 0.00 0.00 57.97 60.56 3ag4 h PHE 220 Cb 0.46 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 3ag4 h PHE 220 CO 0.04 1.00 -0.16 0.00 -0.60 0.00 0.00 178.31 178.59 3ag4 h ARG 221 N 1.01 0.83 -0.37 1.51 3.08 -1.05 -1.23 114.38 118.15 3ag4 h ARG 221 Ca 0.19 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 3ag4 h ARG 221 Cb 0.48 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3ag4 h ARG 221 CO 0.02 0.93 0.21 0.37 -1.07 0.00 0.00 179.97 180.42 3ag4 h GLN 222 N 0.73 0.52 -0.90 0.04 5.75 -0.67 -0.68 115.11 119.89 3ag4 h GLN 222 Ca 0.11 -0.06 0.10 0.00 -0.15 0.00 0.00 58.65 58.65 3ag4 h GLN 222 Cb 0.67 -0.10 -0.07 0.00 1.07 0.00 0.00 27.48 29.05 3ag4 h GLN 222 CO 0.05 0.42 0.58 -0.07 -2.65 0.00 0.00 178.83 177.16 3ag4 h LEU 223 N 0.48 0.81 -0.18 -2.39 3.38 -0.70 -1.37 115.31 115.34 3ag4 h LEU 223 Ca 0.13 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3ag4 h LEU 223 Cb 0.05 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3ag4 h LEU 223 CO -0.02 0.48 0.00 0.29 0.09 0.00 0.00 178.44 179.28 3ag4 n LYS 224 N -4.53 1.11 -1.82 1.13 5.02 -0.49 -4.94 118.16 113.64 3ag4 n LYS 224 Ca 0.15 -0.17 -0.12 0.00 -2.02 0.00 0.00 58.31 56.15 3ag4 n LYS 224 Cb 0.31 -1.15 -0.03 0.00 -0.02 0.00 0.00 35.03 34.14 3ag4 n LYS 224 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3ag4 n PHE 225 N -0.46 -0.31 -0.04 2.13 3.01 -0.52 -4.94 117.46 116.33 3ag4 n PHE 225 Ca 0.07 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.45 3ag4 n PHE 225 Cb 0.07 -2.52 0.09 0.00 -0.01 0.00 0.00 39.48 37.11 3ag4 n PHE 225 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3ag4 h HIS 226 N 0.00 0.78 -3.65 1.38 3.86 -1.37 -3.44 115.15 112.71 3ag4 h HIS 226 Ca -0.27 -0.21 -0.51 0.00 -1.16 0.00 0.00 60.37 58.22 3ag4 h HIS 226 Cb 1.02 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 29.30 3ag4 h HIS 226 CO 0.34 0.92 0.39 -0.06 0.86 0.00 0.00 177.93 180.38 3ag4 s PHE 227 N -4.39 3.80 0.48 2.45 0.08 -1.26 -4.95 117.98 114.18 3ag4 s PHE 227 Ca -0.08 1.79 0.04 0.00 0.12 0.00 0.00 56.93 58.79 3ag4 s PHE 227 Cb 0.12 -3.10 0.02 0.00 -0.57 0.00 0.00 43.02 39.49 3ag4 s PHE 227 CO 0.83 0.04 0.67 0.95 -0.10 0.00 0.00 175.22 177.61 3ag4 s THR 228 N -0.56 3.00 -0.37 0.64 -4.23 -0.50 -4.98 115.64 108.63 3ag4 s THR 228 Ca 0.45 -0.80 0.25 0.00 -1.18 0.00 0.00 61.69 60.41 3ag4 s THR 228 Cb -0.26 -3.07 0.27 0.00 1.34 0.00 0.00 72.50 70.77 3ag4 s THR 228 CO 0.33 -0.04 1.75 0.77 -0.54 0.00 0.00 174.62 176.89 3ag4 h SER 229 N 0.37 0.00 0.00 3.99 4.64 -1.89 -2.97 113.55 117.69 3ag4 h SER 229 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3ag4 h SER 229 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3ag4 h SER 229 CO 0.50 0.00 -0.82 -3.20 -0.87 0.00 0.00 176.83 172.44 3ag4 n ASN 230 N -2.35 2.24 -3.75 4.97 2.85 -1.26 -4.26 115.26 113.69 3ag4 n ASN 230 Ca 0.02 -0.27 -0.27 0.00 -0.11 0.00 0.00 54.58 53.95 3ag4 n ASN 230 Cb 0.22 1.14 -0.17 0.00 1.24 0.00 0.00 39.78 42.22 3ag4 n ASN 230 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 3ag4 s HIS 231 N -2.00 1.03 -0.38 1.20 2.46 -1.12 -4.95 115.29 111.53 3ag4 s HIS 231 Ca -0.00 -0.77 0.05 0.00 0.47 0.00 0.00 55.06 54.81 3ag4 s HIS 231 Cb 0.04 -1.02 0.28 0.00 -0.13 0.00 0.00 32.58 31.75 3ag4 s HIS 231 CO 0.22 -0.57 1.24 -2.39 -2.47 0.00 0.00 174.74 170.77 3ag4 n HIS 232 N 5.05 -1.65 0.21 3.88 1.44 -1.26 -1.41 115.22 121.48 3ag4 n HIS 232 Ca -0.09 -1.44 0.04 0.00 -2.01 0.00 0.00 57.72 54.23 3ag4 n HIS 232 Cb 0.48 1.42 0.46 0.00 0.12 0.00 0.00 29.99 32.47 3ag4 n HIS 232 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 3ag4 h PHE 233 N 2.10 0.01 -0.52 -1.40 3.04 -1.96 -1.76 116.94 116.45 3ag4 h PHE 233 Ca -0.31 -0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.56 3ag4 h PHE 233 Cb 1.22 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.70 3ag4 h PHE 233 CO 0.08 0.24 0.01 0.78 -2.02 0.00 0.00 178.31 177.40 3ag4 h GLY 234 N 0.70 0.93 0.94 2.40 0.00 -1.99 0.13 103.07 106.17 3ag4 h GLY 234 Ca -0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 3ag4 h GLY 234 CO 0.03 0.59 -0.03 -2.75 0.00 0.00 0.00 176.54 174.38 3ag4 h PHE 235 N 0.81 -0.08 -0.67 5.60 3.57 -1.81 -1.47 116.94 122.89 3ag4 h PHE 235 Ca 0.15 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.77 3ag4 h PHE 235 Cb 0.47 0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.15 3ag4 h PHE 235 CO 0.03 0.01 0.23 0.93 -2.23 0.00 0.00 178.31 177.27 3ag4 h GLU 236 N -0.15 0.37 -0.63 1.11 5.08 -0.85 -0.01 114.58 119.51 3ag4 h GLU 236 Ca -0.01 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 3ag4 h GLU 236 Cb 0.13 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3ag4 h GLU 236 CO 0.01 0.24 0.05 0.00 -1.00 0.00 0.00 179.01 178.32 3ag4 h ALA 237 N 1.49 0.90 -0.31 3.43 0.00 -0.64 -1.42 119.26 122.72 3ag4 h ALA 237 Ca 0.35 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3ag4 h ALA 237 Cb 0.51 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3ag4 h ALA 237 CO -0.38 0.66 -0.34 0.00 0.00 0.00 0.00 179.25 179.20 3ag4 h ALA 238 N 1.06 0.82 -0.52 0.00 0.00 -0.87 0.31 119.26 120.07 3ag4 h ALA 238 Ca 0.19 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 3ag4 h ALA 238 Cb 0.49 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3ag4 h ALA 238 CO 0.02 0.64 -0.11 0.00 0.00 0.00 0.00 179.25 179.80 3ag4 h ALA 239 N 1.04 0.81 -0.22 0.00 0.00 -0.76 -0.10 119.26 120.04 3ag4 h ALA 239 Ca 0.06 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3ag4 h ALA 239 Cb 0.86 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3ag4 h ALA 239 CO 0.07 0.66 -0.02 -1.49 0.00 0.00 0.00 179.25 178.47 3ag4 h TRP 240 N 0.88 0.44 -0.93 0.00 6.55 -0.97 -0.33 115.95 121.59 3ag4 h TRP 240 Ca 0.14 -0.09 0.06 0.00 0.95 0.00 0.00 58.89 59.95 3ag4 h TRP 240 Cb 0.67 -0.11 -0.06 0.00 -0.86 0.00 0.00 29.16 28.79 3ag4 h TRP 240 CO 0.04 0.61 0.59 -0.92 -1.05 0.00 0.00 178.44 177.71 3ag4 h TYR 241 N 0.15 1.09 -0.97 0.49 3.20 -0.33 -2.11 116.97 118.50 3ag4 h TYR 241 Ca 0.06 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.97 3ag4 h TYR 241 Cb 0.45 -0.36 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 3ag4 h TYR 241 CO 0.04 0.57 0.64 2.35 -1.64 0.00 0.00 178.16 180.13 3ag4 h TRP 242 N 1.08 1.21 -0.17 -3.82 2.91 -0.76 -1.58 115.95 114.83 3ag4 h TRP 242 Ca 0.40 0.03 -0.19 0.00 1.13 0.00 0.00 58.89 60.26 3ag4 h TRP 242 Cb 0.14 -0.41 -0.00 0.00 -0.51 0.00 0.00 29.16 28.38 3ag4 h TRP 242 CO -0.02 0.75 -0.65 0.45 -1.03 0.00 0.00 178.44 177.94 3ag4 h HIS 243 N 1.30 0.84 -0.31 2.65 3.86 -0.76 -1.25 115.15 121.48 3ag4 h HIS 243 Ca 0.36 -0.33 0.07 0.00 -1.16 0.00 0.00 60.37 59.31 3ag4 h HIS 243 Cb -0.12 -0.14 -0.07 0.00 1.06 0.00 0.00 27.41 28.13 3ag4 h HIS 243 CO -0.00 1.12 -0.18 0.35 0.86 0.00 0.00 177.93 180.08 3ag4 h PHE 244 N 0.47 -0.45 -0.83 2.45 3.04 -1.25 0.71 116.94 121.09 3ag4 h PHE 244 Ca -0.02 0.04 0.06 0.00 3.98 0.00 0.00 57.97 62.03 3ag4 h PHE 244 Cb 1.24 0.24 -0.06 0.00 2.56 0.00 0.00 35.95 39.93 3ag4 h PHE 244 CO 0.06 -0.25 0.51 0.28 -2.02 0.00 0.00 178.31 176.89 3ag4 h VAL 245 N -0.14 1.04 -0.42 1.41 2.07 -1.02 0.93 116.25 120.11 3ag4 h VAL 245 Ca 0.16 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 3ag4 h VAL 245 Cb 0.39 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3ag4 h VAL 245 CO -0.40 0.17 0.13 -0.78 0.02 0.00 0.00 177.57 176.71 3ag4 h ASP 246 N 0.94 0.62 -0.13 0.57 3.58 -0.85 -1.31 116.42 119.85 3ag4 h ASP 246 Ca 0.36 -0.21 -0.06 0.00 0.42 0.00 0.00 57.03 57.55 3ag4 h ASP 246 Cb 0.16 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 3ag4 h ASP 246 CO -0.17 0.66 -0.14 0.58 -2.88 0.00 0.00 179.24 177.30 3ag4 h VAL 247 N 0.54 1.36 -0.93 2.25 2.07 -0.46 -1.24 116.25 119.84 3ag4 h VAL 247 Ca 0.14 -1.31 0.15 0.00 0.82 0.00 0.00 66.70 66.50 3ag4 h VAL 247 Cb 0.27 1.93 -0.09 0.00 -1.52 0.00 0.00 31.29 31.87 3ag4 h VAL 247 CO -0.00 0.38 0.53 0.58 0.02 0.00 0.00 177.57 179.08 3ag4 h VAL 248 N -0.07 0.77 -0.58 2.57 2.07 -0.79 -1.52 116.25 118.70 3ag4 h VAL 248 Ca 0.02 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3ag4 h VAL 248 Cb 0.67 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 3ag4 h VAL 248 CO 0.03 0.14 0.38 -0.25 0.02 0.00 0.00 177.57 177.89 3ag4 h TRP 249 N 0.76 0.74 -0.70 1.57 2.91 -0.66 -1.82 115.95 118.74 3ag4 h TRP 249 Ca 0.50 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.57 3ag4 h TRP 249 Cb 0.67 -0.25 -0.05 0.00 -0.51 0.00 0.00 29.16 29.03 3ag4 h TRP 249 CO -0.04 0.47 0.43 -0.07 -1.03 0.00 0.00 178.44 178.20 3ag4 h LEU 250 N 0.78 0.70 -1.00 0.65 3.38 -0.22 0.32 115.31 119.91 3ag4 h LEU 250 Ca 0.21 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 3ag4 h LEU 250 Cb -0.07 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3ag4 h LEU 250 CO -0.04 0.48 0.13 -0.26 0.09 0.00 0.00 178.44 178.83 3ag4 h PHE 251 N 0.83 0.88 -0.31 1.13 -1.00 -1.29 -0.98 116.94 116.21 3ag4 h PHE 251 Ca 0.29 -0.08 -0.02 0.00 2.81 0.00 0.00 57.97 60.97 3ag4 h PHE 251 Cb 0.05 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.34 3ag4 h PHE 251 CO -0.05 0.74 0.12 -0.07 -1.61 0.00 0.00 178.31 177.45 3ag4 h LEU 252 N 0.82 0.43 0.21 1.54 3.38 -0.70 0.14 115.31 121.13 3ag4 h LEU 252 Ca 0.18 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3ag4 h LEU 252 Cb 0.31 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3ag4 h LEU 252 CO -0.00 0.48 -0.10 0.22 0.09 0.00 0.00 178.44 179.13 3ag4 h TYR 253 N 0.35 -0.26 -0.67 1.13 3.20 -0.28 0.40 116.97 120.85 3ag4 h TYR 253 Ca 0.10 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 3ag4 h TYR 253 Cb 0.18 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 3ag4 h TYR 253 CO -0.01 -0.03 0.37 0.28 -1.64 0.00 0.00 178.16 177.13 3ag4 h VAL 254 N -0.45 1.21 0.08 1.81 2.07 -1.15 -0.60 116.25 119.23 3ag4 h VAL 254 Ca -0.03 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 3ag4 h VAL 254 Cb 0.34 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3ag4 h VAL 254 CO 0.05 0.23 -0.04 0.28 0.02 0.00 0.00 177.57 178.10 3ag4 h SER 255 N 0.92 -0.09 0.00 0.57 0.02 -0.55 0.61 113.55 115.03 3ag4 h SER 255 Ca 0.24 -0.25 -0.16 0.00 -0.84 0.00 0.00 61.79 60.78 3ag4 h SER 255 Cb 0.03 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3ag4 h SER 255 CO -0.04 0.50 -0.96 0.40 -1.14 0.00 0.00 176.83 175.59 3ag4 h ILE 256 N -1.00 0.85 -0.16 3.27 2.04 -1.10 0.13 117.51 121.55 3ag4 h ILE 256 Ca -0.01 -1.99 -0.17 0.00 1.00 0.00 0.00 64.86 63.69 3ag4 h ILE 256 Cb 0.34 1.96 0.01 0.00 -0.74 0.00 0.00 36.82 38.38 3ag4 h ILE 256 CO 0.02 0.29 -0.58 1.88 0.00 0.00 0.00 178.15 179.76 3ag4 h TYR 257 N -1.00 0.89 0.00 1.37 0.05 -1.38 -3.20 116.97 113.70 3ag4 h TYR 257 Ca -0.25 -0.37 0.00 0.00 0.05 0.00 0.00 58.73 58.16 3ag4 h TYR 257 Cb 1.11 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.70 3ag4 h TYR 257 CO 0.07 1.17 -0.43 1.87 -1.05 0.00 0.00 178.16 179.79 3ag4 n TRP 258 N -4.11 0.24 -0.13 4.88 -0.00 -0.24 -4.12 117.44 113.95 3ag4 n TRP 258 Ca -0.07 0.10 -0.08 0.00 -0.00 0.00 0.00 57.50 57.45 3ag4 n TRP 258 Cb 0.64 -0.40 0.06 0.00 -0.00 0.00 0.00 31.31 31.62 3ag4 n TRP 258 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 177.69 180.04 3ag4 h TRP 259 N -0.56 1.00 -0.08 5.87 7.01 -0.91 -2.22 115.95 126.06 3ag4 h TRP 259 Ca 0.00 -0.21 0.00 0.00 2.11 0.00 0.00 58.89 60.79 3ag4 h TRP 259 Cb 0.43 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 3ag4 h TRP 259 CO -0.19 0.97 0.00 0.41 -2.79 0.00 0.00 178.44 176.85 3ag4 n GLY 260 N -0.30 -0.58 0.85 2.65 0.00 0.45 -5.00 105.19 103.26 3ag4 n GLY 260 Ca 0.01 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.07 3ag4 n GLY 260 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18