#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 3.62 -0.19 1.57 -2.07 -1.26 -4.99 119.66 116.34 3ag4 s GLN 4 Ca 0.00 -0.08 0.12 0.00 -1.82 0.00 0.00 55.36 53.59 3ag4 s GLN 4 Cb 0.00 -2.79 0.40 0.00 -1.09 0.00 0.00 33.01 29.53 3ag4 s GLN 4 CO 0.00 0.39 1.21 0.25 -1.32 0.00 0.00 175.29 175.82 3ag4 n THR 5 N -0.27 2.09 -3.82 3.63 -2.24 -1.26 -5.02 114.28 107.39 3ag4 n THR 5 Ca -0.02 -3.04 -0.23 0.00 -2.27 0.00 0.00 64.05 58.49 3ag4 n THR 5 Cb 0.53 -0.20 -0.04 0.00 -2.10 0.00 0.00 70.33 68.52 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 -3.08 2.44 -1.28 4.78 0.00 -1.26 -5.06 115.29 111.83 3ag4 s HIS 6 Ca 0.37 -0.60 0.16 0.00 -3.00 0.00 0.00 55.06 51.99 3ag4 s HIS 6 Cb 0.36 -2.05 0.63 0.00 -4.00 0.00 0.00 32.58 27.52 3ag4 s HIS 6 CO -0.06 -0.10 1.52 0.00 -1.00 0.00 0.00 174.74 175.10 3ag4 n ALA 7 N -1.50 2.97 -2.54 -1.38 0.00 -1.26 -5.00 120.51 111.81 3ag4 n ALA 7 Ca 0.01 -1.36 -0.25 0.00 0.00 0.00 0.00 53.44 51.84 3ag4 n ALA 7 Cb 0.63 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.75 3.52 -0.34 0.00 2.02 -1.26 -4.50 117.35 115.04 3ag4 s TYR 8 Ca 0.45 0.49 -0.16 0.00 -0.37 0.00 0.00 57.07 57.48 3ag4 s TYR 8 Cb 0.28 -2.02 -0.01 0.00 -0.40 0.00 0.00 41.96 39.81 3ag4 s TYR 8 CO 0.22 -0.00 0.41 -1.58 -1.57 0.00 0.00 175.55 173.03 3ag4 s HIS 9 N -2.45 3.20 -0.24 2.71 5.65 -1.26 -5.06 115.29 117.85 3ag4 s HIS 9 Ca 0.42 0.08 -0.20 0.00 0.25 0.00 0.00 55.06 55.61 3ag4 s HIS 9 Cb -0.10 -2.74 -0.02 0.00 -1.18 0.00 0.00 32.58 28.54 3ag4 s HIS 9 CO 0.39 -0.45 0.63 -1.64 -0.65 0.00 0.00 174.74 173.02 3ag4 s MET 10 N 2.14 4.14 0.04 2.88 -1.94 -1.26 -5.05 119.30 120.25 3ag4 s MET 10 Ca 0.14 0.56 -0.13 0.00 -1.71 0.00 0.00 55.69 54.56 3ag4 s MET 10 Cb -0.16 -3.63 -0.06 0.00 2.01 0.00 0.00 34.83 32.99 3ag4 s MET 10 CO 0.12 -0.36 0.41 0.08 -0.01 0.00 0.00 175.02 175.26 3ag4 s VAL 11 N 2.34 5.05 0.39 -6.03 1.01 -1.26 -5.04 120.40 116.85 3ag4 s VAL 11 Ca 0.27 0.68 -0.27 0.00 0.00 0.00 0.00 61.98 62.66 3ag4 s VAL 11 Cb -0.16 -3.68 -0.10 0.00 0.00 0.00 0.00 36.38 32.45 3ag4 s VAL 11 CO 0.09 0.44 1.40 0.20 0.00 0.00 0.00 175.10 177.24 3ag4 s ASN 12 N -1.39 6.29 0.18 3.32 0.02 -1.26 -4.91 114.94 117.19 3ag4 s ASN 12 Ca 0.28 2.88 -0.32 0.00 -1.02 0.00 0.00 52.86 54.68 3ag4 s ASN 12 Cb -0.15 -2.66 -0.16 0.00 0.02 0.00 0.00 41.25 38.30 3ag4 s ASN 12 CO 0.15 -0.89 1.01 -2.65 0.02 0.00 0.00 177.10 174.74 3ag4 n PRO 13 N 0.28 0.87 -4.20 -0.60 -0.02 -1.26 -4.94 135.00 125.12 3ag4 n PRO 13 Ca 0.02 0.31 -0.17 0.00 -2.02 0.00 0.00 63.50 61.65 3ag4 n PRO 13 Cb 0.41 -1.69 -0.15 0.00 -0.02 0.00 0.00 33.50 32.05 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 -0.28 0.71 0.10 2.55 0.15 -1.26 -5.04 113.70 110.62 3ag4 s SER 14 Ca 0.71 -0.11 0.27 0.00 0.70 0.00 0.00 55.95 57.52 3ag4 s SER 14 Cb -0.88 -0.09 0.88 0.00 -1.71 0.00 0.00 66.02 64.21 3ag4 s SER 14 CO 0.55 0.07 1.74 -0.81 1.20 0.00 0.00 173.24 175.98 3ag4 n PRO 15 N 2.99 0.14 -0.20 5.44 -0.04 -1.26 -4.42 135.00 137.65 3ag4 n PRO 15 Ca -0.14 0.10 -0.08 0.00 -0.04 0.00 0.00 63.50 63.33 3ag4 n PRO 15 Cb 0.58 -1.64 0.04 0.00 -0.04 0.00 0.00 33.50 32.44 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 1.13 -0.65 0.54 -0.00 -1.96 -1.36 115.95 113.66 3ag4 h TRP 16 Ca 0.00 -0.19 0.12 0.00 -0.00 0.00 0.00 58.89 58.82 3ag4 h TRP 16 Cb 0.62 -0.30 -0.09 0.00 -0.00 0.00 0.00 29.16 29.40 3ag4 h TRP 16 CO 0.00 1.00 0.17 -1.35 -0.00 0.00 0.00 178.44 178.26 3ag4 h PRO 17 N 0.95 0.29 -0.23 0.49 0.11 -1.99 0.15 132.00 131.77 3ag4 h PRO 17 Ca 0.17 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 66.09 3ag4 h PRO 17 Cb 0.56 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.60 3ag4 h PRO 17 CO 0.03 0.19 -0.51 1.25 -0.21 0.00 0.00 178.00 178.75 3ag4 h LEU 18 N 0.30 0.86 -1.14 2.35 5.85 -1.74 -0.98 115.31 120.81 3ag4 h LEU 18 Ca 0.34 -0.55 -0.07 0.00 0.84 0.00 0.00 57.88 58.44 3ag4 h LEU 18 Cb 0.52 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3ag4 h LEU 18 CO -0.41 1.25 -0.17 0.71 -0.34 0.00 0.00 178.44 179.48 3ag4 h THR 19 N 0.49 1.23 -0.38 1.05 1.35 -1.07 -0.95 112.91 114.64 3ag4 h THR 19 Ca 0.00 -1.04 -0.05 0.00 -0.55 0.00 0.00 66.41 64.78 3ag4 h THR 19 Cb 1.12 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 68.77 3ag4 h THR 19 CO 0.11 0.33 0.06 1.23 -0.25 0.00 0.00 175.52 177.00 3ag4 h GLY 20 N 0.92 0.68 0.99 5.82 0.00 -0.55 -0.67 103.07 110.26 3ag4 h GLY 20 Ca 0.07 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 3ag4 h GLY 20 CO 0.03 0.42 0.30 0.00 0.00 0.00 0.00 176.54 177.29 3ag4 h ALA 21 N 0.91 0.73 -0.08 3.60 0.00 -0.88 -1.93 119.26 121.62 3ag4 h ALA 21 Ca 0.11 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3ag4 h ALA 21 Cb 0.37 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ag4 h ALA 21 CO 0.01 0.27 -0.55 -0.07 0.00 0.00 0.00 179.25 178.91 3ag4 h LEU 22 N 0.77 0.25 -1.23 0.00 3.38 -0.97 -2.00 115.31 115.52 3ag4 h LEU 22 Ca 0.20 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3ag4 h LEU 22 Cb 0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3ag4 h LEU 22 CO -0.03 0.75 -0.27 0.77 0.09 0.00 0.00 178.44 179.75 3ag4 h SER 23 N 0.17 0.18 -0.30 -0.43 4.64 -0.81 -0.38 113.55 116.63 3ag4 h SER 23 Ca 0.00 -0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.15 3ag4 h SER 23 Cb 1.03 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 3ag4 h SER 23 CO 0.08 0.46 -0.26 0.00 -0.87 0.00 0.00 176.83 176.24 3ag4 h ALA 24 N 1.56 0.44 -0.50 5.18 0.00 -0.85 0.20 119.26 125.28 3ag4 h ALA 24 Ca 0.03 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3ag4 h ALA 24 Cb 0.57 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3ag4 h ALA 24 CO 0.04 0.43 0.24 1.25 0.00 0.00 0.00 179.25 181.21 3ag4 h LEU 25 N 0.46 0.67 -0.62 0.00 5.85 -0.84 -1.11 115.31 119.72 3ag4 h LEU 25 Ca 0.05 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 3ag4 h LEU 25 Cb 0.83 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 3ag4 h LEU 25 CO 0.07 0.61 0.18 -0.07 -0.34 0.00 0.00 178.44 178.89 3ag4 h LEU 26 N 0.67 0.91 -0.45 2.25 3.38 -0.84 -0.36 115.31 120.87 3ag4 h LEU 26 Ca 0.17 -0.22 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 3ag4 h LEU 26 Cb 0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3ag4 h LEU 26 CO -0.02 0.89 -0.34 0.24 0.09 0.00 0.00 178.44 179.30 3ag4 h MET 27 N 0.89 0.92 0.26 1.13 2.86 -0.47 0.30 114.93 120.83 3ag4 h MET 27 Ca 0.20 -0.46 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 3ag4 h MET 27 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 3ag4 h MET 27 CO -0.00 1.12 -0.13 1.79 1.06 0.00 0.00 176.91 180.75 3ag4 h THR 28 N 0.77 0.70 -0.95 2.22 1.35 -1.19 0.30 112.91 116.11 3ag4 h THR 28 Ca 0.07 -0.82 0.20 0.00 -0.55 0.00 0.00 66.41 65.32 3ag4 h THR 28 Cb 0.93 1.09 -0.18 0.00 -1.73 0.00 0.00 68.15 68.25 3ag4 h THR 28 CO 0.09 0.15 -0.20 -1.20 -0.25 0.00 0.00 175.52 174.11 3ag4 n SER 29 N -5.05 -0.31 -0.12 5.36 7.64 -0.15 -1.78 113.62 119.21 3ag4 n SER 29 Ca -0.09 1.63 -0.06 0.00 1.01 0.00 0.00 58.87 61.36 3ag4 n SER 29 Cb 0.26 -0.51 0.02 0.00 -1.01 0.00 0.00 64.21 62.97 3ag4 n SER 29 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3ag4 h GLY 30 N 0.00 0.53 1.45 0.23 0.00 -0.27 -0.04 103.07 104.97 3ag4 h GLY 30 Ca 0.47 -0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.58 3ag4 h GLY 30 CO -0.97 0.09 -0.17 1.41 0.00 0.00 0.00 176.54 176.90 3ag4 h LEU 31 N 0.38 0.64 0.24 3.11 3.38 -0.69 -0.36 115.31 122.01 3ag4 h LEU 31 Ca 0.17 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3ag4 h LEU 31 Cb 0.09 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3ag4 h LEU 31 CO -0.13 0.83 -0.13 0.74 0.09 0.00 0.00 178.44 179.84 3ag4 h THR 32 N 0.58 0.73 -0.86 0.22 2.02 -1.07 0.10 112.91 114.64 3ag4 h THR 32 Ca 0.09 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.35 3ag4 h THR 32 Cb 0.62 0.73 -0.07 0.00 -1.74 0.00 0.00 68.15 67.70 3ag4 h THR 32 CO 0.04 0.00 0.52 -0.03 0.37 0.00 0.00 175.52 176.42 3ag4 h MET 33 N -0.34 0.89 0.02 6.66 -1.53 -0.74 -0.35 114.93 119.53 3ag4 h MET 33 Ca -0.03 -0.05 -0.00 0.00 -3.44 0.00 0.00 59.70 56.18 3ag4 h MET 33 Cb 0.27 -0.20 0.00 0.00 -0.55 0.00 0.00 31.60 31.12 3ag4 h MET 33 CO 0.04 0.59 -0.01 2.35 0.14 0.00 0.00 176.91 180.02 3ag4 h TRP 34 N 0.91 -0.03 -0.43 1.39 7.01 -0.74 0.29 115.95 124.35 3ag4 h TRP 34 Ca 0.39 -0.00 -0.07 0.00 2.11 0.00 0.00 58.89 61.32 3ag4 h TRP 34 Cb 0.27 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.32 3ag4 h TRP 34 CO -0.04 0.27 -0.03 0.74 -2.79 0.00 0.00 178.44 176.58 3ag4 h PHE 35 N -0.32 0.76 0.00 2.65 0.04 -0.55 -3.32 116.94 116.20 3ag4 h PHE 35 Ca -0.00 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.66 3ag4 h PHE 35 Cb 0.31 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.25 3ag4 h PHE 35 CO 0.02 0.73 -1.03 0.72 -0.60 0.00 0.00 178.31 178.15 3ag4 n HIS 36 N -4.21 0.00 -1.69 -0.55 8.25 -0.16 -4.78 115.22 112.07 3ag4 n HIS 36 Ca 0.02 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.52 3ag4 n HIS 36 Cb 0.30 -0.03 0.07 0.00 1.12 0.00 0.00 29.99 31.46 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 -1.53 0.00 -4.33 4.41 3.72 0.96 -5.02 117.46 115.67 3ag4 n PHE 37 Ca -0.00 -0.54 -0.34 0.00 -0.05 0.00 0.00 57.45 56.51 3ag4 n PHE 37 Cb 0.03 -0.11 -0.09 0.00 -0.94 0.00 0.00 39.48 38.36 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 -0.55 0.05 -3.84 4.37 5.15 -0.87 -4.87 115.26 114.70 3ag4 n ASN 38 Ca 0.08 -1.23 -0.12 0.00 -0.60 0.00 0.00 54.58 52.70 3ag4 n ASN 38 Cb 0.73 -1.55 -0.13 0.00 -0.53 0.00 0.00 39.78 38.30 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 -3.97 -0.07 0.00 1.20 0.15 -1.15 -5.00 113.70 104.86 3ag4 s SER 39 Ca 0.26 0.15 0.17 0.00 0.70 0.00 0.00 55.95 57.23 3ag4 s SER 39 Cb -0.15 0.14 0.31 0.00 -1.71 0.00 0.00 66.02 64.61 3ag4 s SER 39 CO 0.98 -0.03 1.23 0.23 1.20 0.00 0.00 173.24 176.84 3ag4 n MET 40 N 3.13 2.13 0.29 5.44 2.81 -1.26 -2.48 117.12 127.19 3ag4 n MET 40 Ca -0.13 -1.96 -0.14 0.00 -1.81 0.00 0.00 57.70 53.66 3ag4 n MET 40 Cb 0.59 -1.37 -0.07 0.00 -0.71 0.00 0.00 33.22 31.65 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 3.20 0.24 -0.55 2.03 2.02 -1.96 -0.90 112.91 116.99 3ag4 h THR 41 Ca 0.00 -0.38 0.11 0.00 0.77 0.00 0.00 66.41 66.91 3ag4 h THR 41 Cb 0.79 0.34 -0.09 0.00 -1.74 0.00 0.00 68.15 67.44 3ag4 h THR 41 CO 0.00 0.04 0.01 -0.07 0.37 0.00 0.00 175.52 175.86 3ag4 h LEU 42 N -1.07 -0.23 -0.71 2.58 3.38 -1.89 -1.92 115.31 115.45 3ag4 h LEU 42 Ca -0.08 0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3ag4 h LEU 42 Cb 0.65 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 3ag4 h LEU 42 CO 0.13 -0.08 0.46 0.25 0.09 0.00 0.00 178.44 179.28 3ag4 h LEU 43 N 0.12 0.77 -0.69 1.67 5.85 -1.67 -0.52 115.31 120.84 3ag4 h LEU 43 Ca 0.28 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 3ag4 h LEU 43 Cb 0.44 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3ag4 h LEU 43 CO -0.46 0.54 0.26 0.24 -0.34 0.00 0.00 178.44 178.68 3ag4 h MET 44 N 0.91 1.05 -0.05 1.25 2.86 -0.68 0.17 114.93 120.44 3ag4 h MET 44 Ca 0.28 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3ag4 h MET 44 Cb -0.03 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.46 3ag4 h MET 44 CO -0.09 0.88 0.02 0.82 1.06 0.00 0.00 176.91 179.60 3ag4 h ILE 45 N 1.00 1.15 -0.18 -1.22 2.04 -0.94 -1.99 117.51 117.38 3ag4 h ILE 45 Ca 0.23 -0.45 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 3ag4 h ILE 45 Cb 0.24 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3ag4 h ILE 45 CO -0.01 0.12 -0.23 1.23 0.00 0.00 0.00 178.15 179.25 3ag4 h GLY 46 N -0.10 0.34 1.30 5.37 0.00 -0.92 -0.78 103.07 108.28 3ag4 h GLY 46 Ca 0.01 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 3ag4 h GLY 46 CO -0.00 0.23 0.03 1.41 0.00 0.00 0.00 176.54 178.21 3ag4 h LEU 47 N 0.28 0.82 -0.05 3.11 3.38 -0.62 -0.66 115.31 121.58 3ag4 h LEU 47 Ca 0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3ag4 h LEU 47 Cb 0.58 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3ag4 h LEU 47 CO 0.04 0.87 0.00 0.74 0.09 0.00 0.00 178.44 180.18 3ag4 h THR 48 N 0.80 1.24 -0.17 0.22 2.02 -0.71 -2.03 112.91 114.29 3ag4 h THR 48 Ca 0.16 -0.74 -0.08 0.00 0.77 0.00 0.00 66.41 66.52 3ag4 h THR 48 Cb 0.44 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 3ag4 h THR 48 CO 0.02 0.20 -0.24 0.71 0.37 0.00 0.00 175.52 176.58 3ag4 h THR 49 N -0.20 1.24 -0.26 3.16 1.35 -1.13 -1.46 112.91 115.62 3ag4 h THR 49 Ca 0.01 -1.13 -0.01 0.00 -0.55 0.00 0.00 66.41 64.73 3ag4 h THR 49 Cb 0.32 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.11 3ag4 h THR 49 CO 0.00 0.35 0.12 -1.13 -0.25 0.00 0.00 175.52 174.61 3ag4 h ASN 50 N 0.27 0.34 -0.60 5.36 -1.24 -1.01 0.19 115.58 118.89 3ag4 h ASN 50 Ca 0.04 -0.13 -0.00 0.00 0.71 0.00 0.00 56.30 56.92 3ag4 h ASN 50 Cb 0.58 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.51 3ag4 h ASN 50 CO 0.04 0.37 0.36 0.24 -1.29 0.00 0.00 177.43 177.15 3ag4 h MET 51 N 0.28 0.82 -0.36 6.67 2.86 -0.85 -0.72 114.93 123.62 3ag4 h MET 51 Ca 0.09 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 3ag4 h MET 51 Cb 0.13 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3ag4 h MET 51 CO -0.01 0.59 0.08 -0.07 1.06 0.00 0.00 176.91 178.56 3ag4 h LEU 52 N 0.81 0.56 0.10 1.22 3.38 -1.19 0.11 115.31 120.30 3ag4 h LEU 52 Ca 0.22 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3ag4 h LEU 52 Cb -0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3ag4 h LEU 52 CO -0.04 0.65 -0.16 0.74 0.09 0.00 0.00 178.44 179.72 3ag4 h THR 53 N 0.43 0.63 -0.82 0.22 2.02 -0.24 -0.00 112.91 115.15 3ag4 h THR 53 Ca 0.11 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.32 3ag4 h THR 53 Cb 0.32 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 3ag4 h THR 53 CO 0.00 0.00 0.53 0.24 0.37 0.00 0.00 175.52 176.66 3ag4 h MET 54 N -0.32 1.00 0.24 6.66 2.86 -1.00 0.39 114.93 124.77 3ag4 h MET 54 Ca 0.02 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3ag4 h MET 54 Cb 0.33 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3ag4 h MET 54 CO -0.08 0.66 -0.12 -0.92 1.06 0.00 0.00 176.91 177.51 3ag4 h TYR 55 N 1.03 -0.30 -0.32 -0.22 3.20 -0.45 -1.30 116.97 118.60 3ag4 h TYR 55 Ca 0.33 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 62.04 3ag4 h TYR 55 Cb -0.00 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 3ag4 h TYR 55 CO -0.02 -0.17 -0.41 1.96 -1.64 0.00 0.00 178.16 177.87 3ag4 h GLN 56 N -0.35 0.79 -0.02 1.82 4.20 -0.83 -0.80 115.11 119.92 3ag4 h GLN 56 Ca -0.03 -0.42 -0.00 0.00 0.06 0.00 0.00 58.65 58.26 3ag4 h GLN 56 Cb 0.27 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 3ag4 h GLN 56 CO 0.06 1.05 0.00 2.35 -0.67 0.00 0.00 178.83 181.61 3ag4 h TRP 57 N 0.64 0.03 -0.25 2.96 2.91 -0.84 -1.34 115.95 120.06 3ag4 h TRP 57 Ca 0.05 -0.00 -0.11 0.00 1.13 0.00 0.00 58.89 59.96 3ag4 h TRP 57 Cb 0.97 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.60 3ag4 h TRP 57 CO 0.05 0.24 -0.30 -1.49 -1.03 0.00 0.00 178.44 175.91 3ag4 h TRP 58 N -0.20 0.59 -0.47 2.65 6.55 -1.23 -2.03 115.95 121.82 3ag4 h TRP 58 Ca 0.01 -0.14 0.09 0.00 0.95 0.00 0.00 58.89 59.80 3ag4 h TRP 58 Cb 0.23 -0.14 -0.10 0.00 -0.86 0.00 0.00 29.16 28.29 3ag4 h TRP 58 CO 0.00 0.76 -0.29 -0.09 -1.05 0.00 0.00 178.44 177.78 3ag4 h ARG 59 N 0.44 -0.18 -0.84 0.49 2.43 -1.02 -1.73 114.38 113.98 3ag4 h ARG 59 Ca 0.06 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.32 3ag4 h ARG 59 Cb 0.75 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.28 3ag4 h ARG 59 CO 0.06 -0.12 0.50 -0.44 -1.51 0.00 0.00 179.97 178.46 3ag4 h ASP 60 N -0.18 0.75 -1.00 -3.80 3.32 -0.87 -0.64 116.42 114.00 3ag4 h ASP 60 Ca 0.21 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.32 3ag4 h ASP 60 Cb 0.52 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.89 3ag4 h ASP 60 CO -0.58 0.46 0.65 0.58 -1.72 0.00 0.00 179.24 178.63 3ag4 h VAL 61 N 0.87 1.20 -0.62 -1.35 2.07 -0.83 -0.27 116.25 117.32 3ag4 h VAL 61 Ca 0.38 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 3ag4 h VAL 61 Cb 0.27 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.81 3ag4 h VAL 61 CO -0.21 0.23 0.13 0.40 0.02 0.00 0.00 177.57 178.14 3ag4 h ILE 62 N 1.29 1.26 -0.96 4.57 2.04 -0.62 -1.70 117.51 123.39 3ag4 h ILE 62 Ca 0.39 -0.96 0.04 0.00 1.00 0.00 0.00 64.86 65.32 3ag4 h ILE 62 Cb -0.04 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 36.67 3ag4 h ILE 62 CO -0.11 0.36 0.62 0.03 0.00 0.00 0.00 178.15 179.05 3ag4 h ARG 63 N 0.92 1.17 0.00 2.37 3.08 -0.56 0.64 114.38 122.00 3ag4 h ARG 63 Ca 0.19 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 3ag4 h ARG 63 Cb 0.39 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3ag4 h ARG 63 CO 0.01 0.77 -0.44 0.93 -1.07 0.00 0.00 179.97 180.17 3ag4 h GLU 64 N 1.21 0.00 0.00 0.04 5.08 -0.68 0.56 114.58 120.79 3ag4 h GLU 64 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 3ag4 h GLU 64 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3ag4 h GLU 64 CO -0.12 0.44 0.00 -1.13 -1.00 0.00 0.00 179.01 177.20 3ag4 n SER 65 N -3.29 0.00 -0.36 1.42 3.41 -0.67 -1.28 113.62 112.86 3ag4 n SER 65 Ca 0.01 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.65 3ag4 n SER 65 Cb 0.66 -0.36 0.17 0.00 -0.26 0.00 0.00 64.21 64.42 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 0.00 1.08 0.01 6.66 2.02 -1.08 -2.36 112.91 119.24 3ag4 h THR 66 Ca 0.00 -0.39 -0.35 0.00 0.77 0.00 0.00 66.41 66.44 3ag4 h THR 66 Cb 0.00 -0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 66.20 3ag4 h THR 66 CO 0.00 0.21 -2.20 0.49 0.37 0.00 0.00 175.52 174.39 3ag4 n PHE 67 N -4.53 0.38 0.34 3.16 0.99 -1.01 -4.52 117.46 112.27 3ag4 n PHE 67 Ca 0.15 0.12 0.05 0.00 -0.00 0.00 0.00 57.45 57.76 3ag4 n PHE 67 Cb 0.18 -1.06 -0.06 0.00 -1.00 0.00 0.00 39.48 37.54 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 -3.00 3.04 -1.17 -1.08 6.02 0.16 -5.01 117.38 116.34 3ag4 n GLN 68 Ca -0.31 -0.02 -0.03 0.00 -0.01 0.00 0.00 57.00 56.62 3ag4 n GLN 68 Cb 1.09 -1.01 -0.01 0.00 1.02 0.00 0.00 30.24 31.32 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 1.39 0.62 0.00 1.08 0.00 -0.89 -4.93 105.19 102.46 3ag4 n GLY 69 Ca 0.01 -0.91 0.13 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.98 0.00 -2.89 1.61 8.25 -0.40 -4.33 115.22 114.48 3ag4 n HIS 70 Ca -0.04 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.99 3ag4 n HIS 70 Cb 0.14 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 30.96 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 -1.30 4.58 -0.85 4.41 8.25 -1.26 -4.70 115.22 124.36 3ag4 n HIS 71 Ca 0.12 -3.30 -0.30 0.00 -0.26 0.00 0.00 57.72 53.98 3ag4 n HIS 71 Cb 0.21 -2.06 0.18 0.00 1.12 0.00 0.00 29.99 29.44 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 0.88 2.28 0.44 1.59 -4.23 -1.26 -4.66 115.64 110.69 3ag4 s THR 72 Ca 0.41 0.09 0.21 0.00 -1.18 0.00 0.00 61.69 61.22 3ag4 s THR 72 Cb -0.01 -2.31 0.41 0.00 1.34 0.00 0.00 72.50 71.92 3ag4 s THR 72 CO -0.00 -0.12 1.85 -0.65 -0.54 0.00 0.00 174.62 175.15 3ag4 h PRO 73 N -2.01 0.31 -0.09 3.99 0.11 -1.93 0.13 132.00 132.51 3ag4 h PRO 73 Ca -0.52 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.48 3ag4 h PRO 73 Cb 1.30 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3ag4 h PRO 73 CO 0.50 0.20 -0.32 0.00 -0.21 0.00 0.00 178.00 178.17 3ag4 h ALA 74 N 1.60 0.16 -0.57 -0.75 0.00 -1.90 -0.30 119.26 117.50 3ag4 h ALA 74 Ca 0.48 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3ag4 h ALA 74 Cb 1.35 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 3ag4 h ALA 74 CO -0.16 0.21 0.29 0.28 0.00 0.00 0.00 179.25 179.87 3ag4 h VAL 75 N -0.08 0.94 -0.56 0.00 2.07 -1.63 -2.20 116.25 114.79 3ag4 h VAL 75 Ca -0.01 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 3ag4 h VAL 75 Cb 0.95 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3ag4 h VAL 75 CO 0.07 0.10 -0.03 -0.61 0.02 0.00 0.00 177.57 177.12 3ag4 h GLN 76 N 0.56 0.99 -0.71 1.57 4.15 -0.60 -1.76 115.11 119.31 3ag4 h GLN 76 Ca 0.26 -0.32 -0.04 0.00 0.77 0.00 0.00 58.65 59.32 3ag4 h GLN 76 Cb 0.18 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 3ag4 h GLN 76 CO -0.18 0.99 0.28 -0.22 -1.93 0.00 0.00 178.83 177.77 3ag4 h LYS 77 N 0.91 1.07 -0.36 1.69 3.11 -0.70 -1.04 116.57 121.25 3ag4 h LYS 77 Ca 0.16 -0.20 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 3ag4 h LYS 77 Cb 0.57 -0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 31.61 3ag4 h LYS 77 CO 0.03 0.88 0.24 0.78 -2.81 0.00 0.00 179.45 178.57 3ag4 h GLY 78 N 1.02 0.50 0.66 5.01 0.00 -0.96 -2.11 103.07 107.20 3ag4 h GLY 78 Ca 0.24 -0.19 0.13 0.00 0.00 0.00 0.00 47.33 47.51 3ag4 h GLY 78 CO -0.02 0.18 0.54 1.41 0.00 0.00 0.00 176.54 178.65 3ag4 h LEU 79 N 0.48 0.61 -0.31 3.11 3.38 -0.93 0.19 115.31 121.84 3ag4 h LEU 79 Ca 0.13 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 3ag4 h LEU 79 Cb -0.05 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3ag4 h LEU 79 CO -0.03 0.33 -0.04 0.03 0.09 0.00 0.00 178.44 178.82 3ag4 h ARG 80 N 0.65 0.58 -0.31 1.13 3.08 -0.90 0.13 114.38 118.73 3ag4 h ARG 80 Ca 0.41 -0.20 0.04 0.00 0.07 0.00 0.00 59.98 60.29 3ag4 h ARG 80 Cb 0.65 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 3ag4 h ARG 80 CO -0.17 0.74 0.08 1.88 -1.07 0.00 0.00 179.97 181.43 3ag4 h TYR 81 N 0.36 0.14 -0.48 3.04 0.05 -0.69 -1.70 116.97 117.69 3ag4 h TYR 81 Ca 0.08 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.82 3ag4 h TYR 81 Cb 0.51 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.21 3ag4 h TYR 81 CO 0.04 0.04 0.05 0.78 -1.05 0.00 0.00 178.16 178.03 3ag4 h GLY 82 N 0.20 0.83 0.72 3.88 0.00 -0.28 -1.10 103.07 107.32 3ag4 h GLY 82 Ca 0.14 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 3ag4 h GLY 82 CO -0.17 0.48 -0.05 1.98 0.00 0.00 0.00 176.54 178.77 3ag4 h MET 83 N 0.73 0.24 -0.65 4.80 1.85 -0.79 -1.26 114.93 119.87 3ag4 h MET 83 Ca 0.15 -0.10 0.05 0.00 -0.61 0.00 0.00 59.70 59.19 3ag4 h MET 83 Cb 0.37 -0.01 -0.05 0.00 0.43 0.00 0.00 31.60 32.34 3ag4 h MET 83 CO 0.01 0.57 0.37 0.82 -0.40 0.00 0.00 176.91 178.28 3ag4 h ILE 84 N -0.09 1.00 -0.84 1.77 2.04 -0.87 -1.64 117.51 118.88 3ag4 h ILE 84 Ca 0.03 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3ag4 h ILE 84 Cb 0.49 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 3ag4 h ILE 84 CO 0.02 0.13 0.48 -0.07 0.00 0.00 0.00 178.15 178.70 3ag4 h LEU 85 N 0.70 1.04 -0.11 1.44 3.38 -1.12 -0.55 115.31 120.09 3ag4 h LEU 85 Ca 0.28 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.19 3ag4 h LEU 85 Cb 0.13 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3ag4 h LEU 85 CO -0.16 0.82 -0.03 0.15 0.09 0.00 0.00 178.44 179.31 3ag4 h PHE 86 N 1.16 -0.07 -0.61 1.13 3.57 -0.78 -1.74 116.94 119.61 3ag4 h PHE 86 Ca 0.30 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.76 3ag4 h PHE 86 Cb 0.00 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 3ag4 h PHE 86 CO 0.00 -0.05 0.20 0.82 -2.23 0.00 0.00 178.31 177.05 3ag4 h ILE 87 N -0.01 1.24 -0.55 1.41 2.04 -0.94 -1.87 117.51 118.84 3ag4 h ILE 87 Ca 0.06 -0.82 0.11 0.00 1.00 0.00 0.00 64.86 65.21 3ag4 h ILE 87 Cb 0.09 0.63 -0.09 0.00 -0.74 0.00 0.00 36.82 36.70 3ag4 h ILE 87 CO -0.12 0.31 -0.01 0.40 0.00 0.00 0.00 178.15 178.73 3ag4 h ILE 88 N 0.86 0.55 -0.32 -0.67 2.04 -0.84 0.41 117.51 119.54 3ag4 h ILE 88 Ca 0.20 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.99 3ag4 h ILE 88 Cb 0.28 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3ag4 h ILE 88 CO -0.01 0.02 0.08 0.77 0.00 0.00 0.00 178.15 179.01 3ag4 h SER 89 N 0.11 0.41 0.54 1.72 4.64 -0.80 -0.11 113.55 120.06 3ag4 h SER 89 Ca 0.28 -0.05 -0.15 0.00 -0.47 0.00 0.00 61.79 61.41 3ag4 h SER 89 Cb 0.44 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3ag4 h SER 89 CO -0.47 0.42 -0.65 -0.33 -0.87 0.00 0.00 176.83 174.92 3ag4 h GLU 90 N 0.45 0.10 -0.30 4.77 4.39 -0.46 -1.41 114.58 122.13 3ag4 h GLU 90 Ca 0.11 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 3ag4 h GLU 90 Cb 0.17 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 3ag4 h GLU 90 CO -0.00 0.72 -0.10 0.28 -1.16 0.00 0.00 179.01 178.75 3ag4 h VAL 91 N 0.07 1.29 -0.73 3.13 2.07 -0.06 -2.10 116.25 119.91 3ag4 h VAL 91 Ca -0.01 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 3ag4 h VAL 91 Cb 1.17 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 3ag4 h VAL 91 CO 0.09 0.37 0.34 -0.07 0.02 0.00 0.00 177.57 178.32 3ag4 h LEU 92 N 0.36 0.96 -0.21 2.57 -0.00 -0.85 -0.33 115.31 117.81 3ag4 h LEU 92 Ca 0.07 -0.12 0.04 0.00 -0.00 0.00 0.00 57.88 57.88 3ag4 h LEU 92 Cb 0.60 -0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 40.97 3ag4 h LEU 92 CO 0.03 0.82 -0.05 0.15 -0.00 0.00 0.00 178.44 179.39 3ag4 h PHE 93 N 1.04 -0.11 -0.51 1.13 3.57 -1.05 -2.67 116.94 118.34 3ag4 h PHE 93 Ca 0.25 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.70 3ag4 h PHE 93 Cb 0.13 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 3ag4 h PHE 93 CO 0.01 -0.09 0.02 0.74 -2.23 0.00 0.00 178.31 176.76 3ag4 h PHE 94 N 0.00 0.90 -0.93 0.41 -1.00 -0.98 -2.62 116.94 112.73 3ag4 h PHE 94 Ca 0.10 -0.13 0.24 0.00 2.81 0.00 0.00 57.97 60.99 3ag4 h PHE 94 Cb 0.16 -0.25 -0.13 0.00 3.61 0.00 0.00 35.95 39.34 3ag4 h PHE 94 CO -0.23 0.82 0.44 1.15 -1.61 0.00 0.00 178.31 178.88 3ag4 h THR 95 N 0.79 0.45 -0.13 -1.55 2.02 -0.73 -0.08 112.91 113.68 3ag4 h THR 95 Ca 0.15 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 67.12 3ag4 h THR 95 Cb 0.45 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 3ag4 h THR 95 CO 0.02 0.07 -0.24 1.23 0.37 0.00 0.00 175.52 176.98 3ag4 h GLY 96 N 0.41 0.25 1.78 2.16 0.00 -1.24 -0.00 103.07 106.42 3ag4 h GLY 96 Ca 0.59 -0.18 -0.17 0.00 0.00 0.00 0.00 47.33 47.58 3ag4 h GLY 96 CO -0.54 0.17 -0.72 0.74 0.00 0.00 0.00 176.54 176.19 3ag4 h PHE 97 N 0.21 0.29 -0.56 5.60 0.04 -1.19 -1.63 116.94 119.70 3ag4 h PHE 97 Ca 0.03 -0.13 -0.11 0.00 2.80 0.00 0.00 57.97 60.57 3ag4 h PHE 97 Cb 0.54 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 3ag4 h PHE 97 CO 0.01 0.86 -0.07 0.74 -0.60 0.00 0.00 178.31 179.25 3ag4 h PHE 98 N 0.14 1.15 0.20 -0.55 0.04 -0.80 -0.85 116.94 116.27 3ag4 h PHE 98 Ca -0.02 -0.22 -0.01 0.00 2.80 0.00 0.00 57.97 60.52 3ag4 h PHE 98 Cb 1.28 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 39.14 3ag4 h PHE 98 CO 0.02 1.04 -0.10 2.35 -0.60 0.00 0.00 178.31 181.03 3ag4 h TRP 99 N 0.93 -0.25 -0.54 -0.55 2.91 -0.91 -0.32 115.95 117.22 3ag4 h TRP 99 Ca 0.15 -0.01 0.11 0.00 1.13 0.00 0.00 58.89 60.27 3ag4 h TRP 99 Cb 0.63 0.08 -0.10 0.00 -0.51 0.00 0.00 29.16 29.26 3ag4 h TRP 99 CO 0.04 -0.09 -0.14 0.00 -1.03 0.00 0.00 178.44 177.22 3ag4 h ALA 100 N 0.44 0.35 -0.10 2.65 0.00 -1.21 -0.32 119.26 121.07 3ag4 h ALA 100 Ca -0.03 0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3ag4 h ALA 100 Cb 0.27 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3ag4 h ALA 100 CO 0.05 -0.44 -0.11 0.35 0.00 0.00 0.00 179.25 179.09 3ag4 h PHE 101 N -0.01 -0.27 -0.43 0.00 3.57 -0.86 -2.42 116.94 116.52 3ag4 h PHE 101 Ca 0.26 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.67 3ag4 h PHE 101 Cb 0.40 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 3ag4 h PHE 101 CO -0.46 -0.17 -0.17 1.88 -2.23 0.00 0.00 178.31 177.17 3ag4 h TYR 102 N -0.14 0.93 -0.49 0.41 -1.99 -0.82 -0.09 116.97 114.78 3ag4 h TYR 102 Ca 0.08 -0.20 0.02 0.00 2.00 0.00 0.00 58.73 60.63 3ag4 h TYR 102 Cb 0.25 -0.23 -0.03 0.00 2.00 0.00 0.00 36.73 38.72 3ag4 h TYR 102 CO -0.22 0.93 0.29 1.25 -0.00 0.00 0.00 178.16 180.42 3ag4 h HIS 103 N 0.73 0.55 0.03 4.88 2.76 -0.94 -0.79 115.15 122.38 3ag4 h HIS 103 Ca 0.11 0.02 -0.23 0.00 -2.20 0.00 0.00 60.37 58.07 3ag4 h HIS 103 Cb 0.69 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.47 3ag4 h HIS 103 CO 0.04 0.32 -0.99 0.77 -1.30 0.00 0.00 177.93 176.76 3ag4 h SER 104 N 0.59 0.40 1.01 3.26 0.02 -1.21 -3.27 113.55 114.34 3ag4 h SER 104 Ca 0.19 -0.35 -0.18 0.00 -0.84 0.00 0.00 61.79 60.62 3ag4 h SER 104 Cb 0.01 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 3ag4 h SER 104 CO -0.08 1.18 -1.05 0.77 -1.14 0.00 0.00 176.83 176.50 3ag4 h SER 105 N 0.14 0.00 1.40 3.07 4.64 -0.92 -3.28 113.55 118.60 3ag4 h SER 105 Ca -0.08 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.20 3ag4 h SER 105 Cb 1.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.74 3ag4 h SER 105 CO 0.16 0.72 -0.21 -0.07 -0.87 0.00 0.00 176.83 176.57 3ag4 h LEU 106 N 0.00 0.00 -5.96 5.97 3.38 -1.28 -3.38 115.31 114.04 3ag4 h LEU 106 Ca -0.09 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.36 3ag4 h LEU 106 Cb 1.63 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.98 3ag4 h LEU 106 CO 0.08 0.21 -1.09 0.00 0.09 0.00 0.00 178.44 177.72 3ag4 n ALA 107 N -2.17 2.47 -1.86 1.53 0.00 -1.23 -5.10 120.51 114.15 3ag4 n ALA 107 Ca 0.02 -3.57 -0.41 0.00 0.00 0.00 0.00 53.44 49.47 3ag4 n ALA 107 Cb 0.53 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 3ag4 n ALA 107 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ag4 s PRO 108 N -2.04 4.23 0.72 0.00 0.04 -1.24 -4.88 135.00 131.84 3ag4 s PRO 108 Ca 0.39 2.37 -0.07 0.00 0.04 0.00 0.00 61.00 63.72 3ag4 s PRO 108 Cb 0.27 -3.09 0.07 0.00 0.04 0.00 0.00 34.50 31.78 3ag4 s PRO 108 CO -0.09 -0.48 1.04 0.95 0.04 0.00 0.00 177.00 178.45 3ag4 s THR 109 N 0.09 2.24 0.36 1.26 -4.23 -1.26 -4.44 115.64 109.67 3ag4 s THR 109 Ca 0.61 -0.26 0.04 0.00 -1.18 0.00 0.00 61.69 60.90 3ag4 s THR 109 Cb -0.43 -2.98 0.27 0.00 1.34 0.00 0.00 72.50 70.70 3ag4 s THR 109 CO 0.43 0.00 2.01 -0.65 -0.54 0.00 0.00 174.62 175.87 3ag4 h PRO 110 N -0.67 0.76 -1.16 3.99 0.11 -1.93 -0.71 132.00 132.39 3ag4 h PRO 110 Ca -0.44 -0.05 0.33 0.00 0.11 0.00 0.00 66.00 65.96 3ag4 h PRO 110 Cb 1.31 -0.17 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 3ag4 h PRO 110 CO 0.58 0.50 0.82 0.93 -0.21 0.00 0.00 178.00 180.63 3ag4 h GLU 111 N 0.78 0.05 -0.00 1.05 3.07 -2.02 0.11 114.58 117.62 3ag4 h GLU 111 Ca 0.24 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 3ag4 h GLU 111 Cb -0.01 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 3ag4 h GLU 111 CO -0.06 0.04 -0.20 1.28 -1.40 0.00 0.00 179.01 178.67 3ag4 n LEU 112 N -4.25 0.51 0.00 1.33 4.77 -0.94 -4.88 117.00 113.54 3ag4 n LEU 112 Ca 0.26 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3ag4 n LEU 112 Cb 1.19 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 42.06 3ag4 n LEU 112 CO 0.38 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3ag4 n GLY 113 N 1.36 0.54 2.48 -0.72 0.00 0.37 -1.15 105.19 108.08 3ag4 n GLY 113 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.80 0.58 3.18 -0.02 0.00 -0.32 -4.93 105.19 101.88 3ag4 n GLY 114 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.89 1.42 0.81 0.00 -0.11 -1.26 -3.34 118.94 112.57 3ag4 s TRP 116 Ca 0.07 -0.45 -0.12 0.00 1.22 0.00 0.00 56.10 56.82 3ag4 s TRP 116 Cb 0.06 -1.01 0.08 0.00 -1.50 0.00 0.00 33.47 31.10 3ag4 s TRP 116 CO -0.10 -0.20 1.16 -1.25 -4.62 0.00 0.00 176.95 171.95 3ag4 s PRO 117 N 0.35 1.75 0.85 5.86 0.04 -1.26 -4.96 135.00 137.63 3ag4 s PRO 117 Ca -0.08 1.57 -0.12 0.00 0.04 0.00 0.00 61.00 62.40 3ag4 s PRO 117 Cb -0.13 -1.81 0.10 0.00 0.04 0.00 0.00 34.50 32.71 3ag4 s PRO 117 CO 0.02 -2.09 1.16 -2.30 0.04 0.00 0.00 177.00 173.84 3ag4 n PRO 118 N -3.43 -0.05 -1.64 0.56 -0.02 -1.21 -4.89 135.00 124.33 3ag4 n PRO 118 Ca 0.12 0.06 -0.46 0.00 -2.02 0.00 0.00 63.50 61.20 3ag4 n PRO 118 Cb 0.51 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 3ag4 n PRO 118 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3ag4 n THR 119 N -3.62 0.79 -0.61 3.45 -1.04 -0.30 -1.75 114.28 111.19 3ag4 n THR 119 Ca 0.13 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3ag4 n THR 119 Cb 0.51 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.74 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 2.27 0.78 3.70 3.41 0.00 -1.26 -4.96 105.19 109.13 3ag4 n GLY 120 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.98 5.19 -0.41 -0.61 -1.09 -0.72 -5.07 121.20 115.51 3ag4 s ILE 121 Ca 0.00 0.11 -0.00 0.00 -2.23 0.00 0.00 60.65 58.53 3ag4 s ILE 121 Cb 0.00 -3.36 0.11 0.00 -1.58 0.00 0.00 42.46 37.63 3ag4 s ILE 121 CO 0.00 0.45 0.18 -1.00 -1.23 0.00 0.00 174.94 173.33 3ag4 s HIS 122 N 0.35 3.61 0.97 3.97 3.76 -1.26 -4.82 115.29 121.87 3ag4 s HIS 122 Ca 0.06 -2.70 -0.11 0.00 -0.15 0.00 0.00 55.06 52.17 3ag4 s HIS 122 Cb -0.11 -3.10 0.18 0.00 1.11 0.00 0.00 32.58 30.66 3ag4 s HIS 122 CO -0.01 -0.94 1.12 -2.14 -0.85 0.00 0.00 174.74 171.92 3ag4 s PRO 123 N 0.86 0.57 0.58 8.40 0.02 -1.26 -4.83 135.00 139.33 3ag4 s PRO 123 Ca 0.11 1.43 -0.19 0.00 0.02 0.00 0.00 61.00 62.37 3ag4 s PRO 123 Cb -0.21 -1.68 -0.04 0.00 0.02 0.00 0.00 34.50 32.58 3ag4 s PRO 123 CO -0.05 -2.90 1.16 -0.51 -0.33 0.00 0.00 177.00 174.37 3ag4 s LEU 124 N -6.76 3.68 -0.07 -5.54 1.43 -1.26 -4.97 118.68 105.18 3ag4 s LEU 124 Ca 0.67 2.24 -0.30 0.00 -1.03 0.00 0.00 54.13 55.72 3ag4 s LEU 124 Cb -0.23 -4.59 -0.03 0.00 0.03 0.00 0.00 46.19 41.37 3ag4 s LEU 124 CO 0.59 -1.41 1.30 0.21 0.23 0.00 0.00 176.35 177.27 3ag4 s ASN 125 N -1.78 6.94 0.10 2.29 3.84 -1.26 -4.88 114.94 120.20 3ag4 s ASN 125 Ca 0.74 1.88 0.15 0.00 0.21 0.00 0.00 52.86 55.84 3ag4 s ASN 125 Cb -0.26 -2.55 0.66 0.00 -0.55 0.00 0.00 41.25 38.55 3ag4 s ASN 125 CO 0.31 -0.69 1.47 -0.81 -2.79 0.00 0.00 177.10 174.58 3ag4 n PRO 126 N 5.79 0.07 -0.04 0.43 -0.04 -1.26 -2.00 135.00 137.95 3ag4 n PRO 126 Ca 0.13 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 64.09 3ag4 n PRO 126 Cb 0.45 -1.65 0.48 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.77 1.35 0.00 1.53 7.99 -1.26 -2.31 117.00 122.52 3ag4 n LEU 127 Ca 0.02 -0.52 0.00 0.00 -0.01 0.00 0.00 56.01 55.50 3ag4 n LEU 127 Cb 0.14 -0.05 0.00 0.00 -0.11 0.00 0.00 43.42 43.40 3ag4 n LEU 127 CO 0.12 0.26 0.00 -0.62 -1.51 0.00 0.00 177.39 175.64 3ag4 n GLU 128 N 0.09 0.00 0.02 3.23 1.02 -0.85 -4.62 120.64 119.53 3ag4 n GLU 128 Ca 0.18 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.30 3ag4 n GLU 128 Cb 0.30 0.00 0.25 0.00 -0.02 0.00 0.00 31.44 31.98 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 1.23 -0.73 2.62 2.07 -1.87 -2.42 116.25 117.15 3ag4 h VAL 129 Ca 0.00 -1.04 0.03 0.00 0.82 0.00 0.00 66.70 66.51 3ag4 h VAL 129 Cb 0.00 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 3ag4 h VAL 129 CO 0.00 0.34 0.48 -0.65 0.02 0.00 0.00 177.57 177.76 3ag4 h PRO 130 N 0.44 0.87 -0.35 1.57 0.11 -1.78 0.17 132.00 133.02 3ag4 h PRO 130 Ca 0.08 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.06 3ag4 h PRO 130 Cb 0.51 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 3ag4 h PRO 130 CO 0.03 0.57 -0.07 1.25 -0.21 0.00 0.00 178.00 179.57 3ag4 h LEU 131 N 0.89 0.67 0.25 2.35 5.85 -1.05 -1.46 115.31 122.81 3ag4 h LEU 131 Ca 0.29 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.66 3ag4 h LEU 131 Cb 0.06 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3ag4 h LEU 131 CO -0.08 0.87 -0.31 0.25 -0.34 0.00 0.00 178.44 178.83 3ag4 h LEU 132 N 0.46 -0.86 -0.85 2.25 5.85 -0.94 -0.35 115.31 120.88 3ag4 h LEU 132 Ca 0.09 0.08 0.21 0.00 0.84 0.00 0.00 57.88 59.10 3ag4 h LEU 132 Cb 0.57 0.30 -0.15 0.00 0.37 0.00 0.00 40.66 41.75 3ag4 h LEU 132 CO 0.03 -0.43 0.04 0.78 -0.34 0.00 0.00 178.44 178.53 3ag4 h ASN 133 N -0.61 -0.34 -0.49 1.25 2.35 -0.63 0.73 115.58 117.84 3ag4 h ASN 133 Ca -0.00 0.22 0.02 0.00 -0.55 0.00 0.00 56.30 55.99 3ag4 h ASN 133 Cb 0.58 0.38 -0.03 0.00 0.05 0.00 0.00 38.32 39.30 3ag4 h ASN 133 CO -0.10 -0.22 0.29 0.74 -1.65 0.00 0.00 177.43 176.49 3ag4 h THR 134 N 0.10 1.05 0.00 2.81 2.02 -0.71 -1.82 112.91 116.36 3ag4 h THR 134 Ca 0.49 -0.20 -0.09 0.00 0.77 0.00 0.00 66.41 67.37 3ag4 h THR 134 Cb 0.92 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3ag4 h THR 134 CO -0.74 0.11 -0.45 0.77 0.37 0.00 0.00 175.52 175.58 3ag4 h SER 135 N 0.58 0.00 -0.44 4.18 4.64 0.46 -1.00 113.55 121.97 3ag4 h SER 135 Ca 0.20 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.37 3ag4 h SER 135 Cb 0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3ag4 h SER 135 CO -0.09 0.45 -0.30 0.58 -0.87 0.00 0.00 176.83 176.60 3ag4 h VAL 136 N 0.00 1.27 0.23 0.95 2.07 -0.51 -0.03 116.25 120.23 3ag4 h VAL 136 Ca -0.00 -1.47 -0.31 0.00 0.82 0.00 0.00 66.70 65.74 3ag4 h VAL 136 Cb 0.80 1.24 0.03 0.00 -1.52 0.00 0.00 31.29 31.84 3ag4 h VAL 136 CO 0.06 0.50 -1.37 -0.07 0.02 0.00 0.00 177.57 176.71 3ag4 h LEU 137 N 0.82 0.75 -0.81 2.57 3.38 -1.12 -1.97 115.31 118.94 3ag4 h LEU 137 Ca 0.09 -0.93 0.07 0.00 0.09 0.00 0.00 57.88 57.20 3ag4 h LEU 137 Cb 0.89 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 3ag4 h LEU 137 CO 0.08 1.66 0.49 -0.07 0.09 0.00 0.00 178.44 180.69 3ag4 h LEU 138 N 0.03 0.75 -0.90 1.67 3.38 -1.20 -1.79 115.31 117.25 3ag4 h LEU 138 Ca -0.24 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.76 3ag4 h LEU 138 Cb 2.05 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 42.63 3ag4 h LEU 138 CO 0.24 0.47 0.59 0.00 0.09 0.00 0.00 178.44 179.84 3ag4 h ALA 139 N 1.40 1.14 0.00 1.53 0.00 -0.86 -2.50 119.26 119.96 3ag4 h ALA 139 Ca 0.36 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 3ag4 h ALA 139 Cb 0.20 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3ag4 h ALA 139 CO -0.19 0.53 -0.38 0.66 0.00 0.00 0.00 179.25 179.87 3ag4 h SER 140 N 1.21 0.00 0.49 0.00 4.64 -0.86 0.47 113.55 119.49 3ag4 h SER 140 Ca 0.33 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.55 3ag4 h SER 140 Cb -0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 3ag4 h SER 140 CO -0.07 0.38 -0.47 1.23 -0.87 0.00 0.00 176.83 177.02 3ag4 h GLY 141 N 1.85 0.00 0.61 -0.77 0.00 -0.91 0.11 103.07 103.96 3ag4 h GLY 141 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 3ag4 h GLY 141 CO 0.05 0.00 -0.31 -2.08 0.00 0.00 0.00 176.54 174.20 3ag4 h VAL 142 N 0.00 1.47 -0.17 4.60 2.07 -0.93 -3.06 116.25 120.23 3ag4 h VAL 142 Ca -0.00 -1.82 -0.10 0.00 0.82 0.00 0.00 66.70 65.60 3ag4 h VAL 142 Cb 0.85 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 33.11 3ag4 h VAL 142 CO 0.06 0.51 -0.32 0.77 0.02 0.00 0.00 177.57 178.61 3ag4 h SER 143 N -0.28 0.34 0.84 0.57 4.64 -0.86 -1.35 113.55 117.44 3ag4 h SER 143 Ca -0.03 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.12 3ag4 h SER 143 Cb 1.00 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 3ag4 h SER 143 CO 0.06 0.65 -0.21 -0.29 -0.87 0.00 0.00 176.83 176.17 3ag4 h ILE 144 N 0.29 0.56 0.04 0.95 2.10 -0.85 -0.74 117.51 119.86 3ag4 h ILE 144 Ca 0.04 -1.04 -0.26 0.00 1.08 0.00 0.00 64.86 64.68 3ag4 h ILE 144 Cb 0.72 1.71 0.01 0.00 -1.09 0.00 0.00 36.82 38.17 3ag4 h ILE 144 CO 0.05 0.21 -1.07 0.74 -1.08 0.00 0.00 178.15 177.01 3ag4 h THR 145 N 0.00 1.37 -0.34 2.19 2.02 -1.27 -0.40 112.91 116.48 3ag4 h THR 145 Ca -0.00 -2.50 0.02 0.00 0.77 0.00 0.00 66.41 64.69 3ag4 h THR 145 Cb 0.69 2.54 -0.02 0.00 -1.74 0.00 0.00 68.15 69.62 3ag4 h THR 145 CO 0.03 0.75 0.19 -0.25 0.37 0.00 0.00 175.52 176.61 3ag4 h TRP 146 N 0.25 0.36 -0.47 3.16 7.01 -0.93 -1.52 115.95 123.81 3ag4 h TRP 146 Ca -0.12 0.01 0.09 0.00 2.11 0.00 0.00 58.89 60.98 3ag4 h TRP 146 Cb 1.72 -0.11 -0.08 0.00 -2.10 0.00 0.00 29.16 28.59 3ag4 h TRP 146 CO 0.08 0.21 -0.01 0.00 -2.79 0.00 0.00 178.44 175.93 3ag4 h ALA 147 N 1.15 0.43 0.11 2.65 0.00 -0.91 -0.15 119.26 122.54 3ag4 h ALA 147 Ca 0.13 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3ag4 h ALA 147 Cb 0.01 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ag4 h ALA 147 CO -0.07 -0.39 -0.07 1.25 0.00 0.00 0.00 179.25 179.97 3ag4 h HIS 148 N 0.11 -0.18 -0.74 0.00 -0.00 -0.82 -1.06 115.15 112.45 3ag4 h HIS 148 Ca 0.24 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.62 3ag4 h HIS 148 Cb 0.35 0.07 -0.04 0.00 -0.00 0.00 0.00 27.41 27.79 3ag4 h HIS 148 CO -0.31 -0.11 0.49 0.45 -0.00 0.00 0.00 177.93 178.45 3ag4 h HIS 149 N -0.18 0.91 -0.09 5.26 -0.00 -1.05 -1.83 115.15 118.17 3ag4 h HIS 149 Ca -0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.38 3ag4 h HIS 149 Cb 0.16 -0.31 -0.00 0.00 -0.00 0.00 0.00 27.41 27.25 3ag4 h HIS 149 CO -0.09 0.56 0.04 0.77 -0.00 0.00 0.00 177.93 179.22 3ag4 h SER 150 N 0.98 0.12 -0.20 2.45 0.02 -0.86 0.34 113.55 116.40 3ag4 h SER 150 Ca 0.28 -0.12 0.05 0.00 -0.84 0.00 0.00 61.79 61.16 3ag4 h SER 150 Cb -0.07 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.38 3ag4 h SER 150 CO -0.07 0.21 -0.16 0.25 -1.14 0.00 0.00 176.83 175.93 3ag4 h LEU 151 N 0.02 -0.51 -1.51 5.07 5.85 -0.97 0.25 115.31 123.52 3ag4 h LEU 151 Ca 0.03 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.89 3ag4 h LEU 151 Cb 0.12 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3ag4 h LEU 151 CO -0.00 -0.20 0.37 0.24 -0.34 0.00 0.00 178.44 178.51 3ag4 h MET 152 N -0.17 0.62 -0.09 1.25 2.86 -1.26 -1.64 114.93 116.51 3ag4 h MET 152 Ca 0.12 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3ag4 h MET 152 Cb 0.34 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.86 3ag4 h MET 152 CO -0.30 0.41 0.00 0.39 1.06 0.00 0.00 176.91 178.47 3ag4 n GLU 153 N -4.47 1.22 -0.90 1.72 1.02 0.10 -4.87 120.64 114.46 3ag4 n GLU 153 Ca 0.07 -0.34 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 3ag4 n GLU 153 Cb 0.15 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 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 0.70 0.53 3.26 0.62 0.00 -0.62 -4.99 105.19 104.70 3ag4 n GLY 154 Ca 0.05 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.13 5.95 0.08 1.61 -1.08 0.80 -4.96 116.67 116.95 3ag4 s ASP 155 Ca 0.00 -1.87 -0.17 0.00 -0.52 0.00 0.00 52.55 50.00 3ag4 s ASP 155 Cb 0.00 -2.11 -0.11 0.00 -1.46 0.00 0.00 42.92 39.24 3ag4 s ASP 155 CO 0.00 -0.77 1.39 -0.09 0.52 0.00 0.00 175.17 176.21 3ag4 h ARG 156 N 8.65 0.59 -0.21 4.34 2.43 -1.94 -2.10 114.38 126.14 3ag4 h ARG 156 Ca -0.25 -0.32 -0.05 0.00 -0.81 0.00 0.00 59.98 58.55 3ag4 h ARG 156 Cb 1.09 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 3ag4 h ARG 156 CO 0.95 0.92 -0.06 -0.22 -1.51 0.00 0.00 179.97 180.05 3ag4 h LYS 157 N 0.30 0.41 0.00 0.20 3.64 -1.97 -1.71 116.57 117.44 3ag4 h LYS 157 Ca 0.03 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 3ag4 h LYS 157 Cb 0.82 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 3ag4 h LYS 157 CO 0.06 0.66 -0.15 0.45 -2.27 0.00 0.00 179.45 178.21 3ag4 h HIS 158 N 0.13 0.00 0.85 1.91 3.86 -1.96 -1.33 115.15 118.61 3ag4 h HIS 158 Ca 0.05 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 3ag4 h HIS 158 Cb 0.52 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.99 3ag4 h HIS 158 CO 0.05 0.15 -0.41 1.98 0.86 0.00 0.00 177.93 180.57 3ag4 h MET 159 N 0.00 -1.10 -0.51 2.45 1.85 -1.12 -1.28 114.93 115.22 3ag4 h MET 159 Ca -0.00 0.07 0.10 0.00 -0.61 0.00 0.00 59.70 59.26 3ag4 h MET 159 Cb 0.78 0.25 -0.08 0.00 0.43 0.00 0.00 31.60 32.98 3ag4 h MET 159 CO 0.02 -0.73 0.03 -0.07 -0.40 0.00 0.00 176.91 175.75 3ag4 h LEU 160 N -1.29 -0.16 0.28 3.39 3.38 -1.26 0.13 115.31 119.78 3ag4 h LEU 160 Ca -0.12 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ag4 h LEU 160 Cb 0.87 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 3ag4 h LEU 160 CO 0.19 -0.05 -0.30 -0.61 0.09 0.00 0.00 178.44 177.76 3ag4 h GLN 161 N 0.15 -0.60 -0.86 1.13 4.15 -1.25 -0.30 115.11 117.52 3ag4 h GLN 161 Ca 0.26 0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.72 3ag4 h GLN 161 Cb 0.39 0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.17 3ag4 h GLN 161 CO -0.40 -0.40 0.53 0.00 -1.93 0.00 0.00 178.83 176.63 3ag4 h ALA 162 N -0.04 1.10 -0.49 3.38 0.00 -1.04 -1.04 119.26 121.13 3ag4 h ALA 162 Ca -0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3ag4 h ALA 162 Cb 0.58 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3ag4 h ALA 162 CO -0.08 0.55 -0.04 1.25 0.00 0.00 0.00 179.25 180.94 3ag4 h LEU 163 N 1.18 0.83 -0.27 0.00 5.85 -0.68 -1.05 115.31 121.17 3ag4 h LEU 163 Ca 0.31 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3ag4 h LEU 163 Cb -0.06 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 3ag4 h LEU 163 CO -0.06 0.91 0.15 0.15 -0.34 0.00 0.00 178.44 179.26 3ag4 h PHE 164 N 0.78 0.37 -0.71 1.25 3.57 -0.65 -1.55 116.94 120.01 3ag4 h PHE 164 Ca 0.14 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.71 3ag4 h PHE 164 Cb 0.52 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 3ag4 h PHE 164 CO 0.03 0.30 0.38 0.82 -2.23 0.00 0.00 178.31 177.61 3ag4 h ILE 165 N 0.33 0.92 -0.42 1.41 2.04 -1.05 0.35 117.51 121.09 3ag4 h ILE 165 Ca 0.10 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.73 3ag4 h ILE 165 Cb 0.05 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 3ag4 h ILE 165 CO -0.02 0.12 0.27 0.74 0.00 0.00 0.00 178.15 179.27 3ag4 h THR 166 N 0.68 1.10 -0.13 -0.27 2.02 -0.86 0.19 112.91 115.64 3ag4 h THR 166 Ca 0.33 -0.19 -0.17 0.00 0.77 0.00 0.00 66.41 67.15 3ag4 h THR 166 Cb 0.27 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 3ag4 h THR 166 CO -0.22 0.10 -0.64 0.40 0.37 0.00 0.00 175.52 175.54 3ag4 h ILE 167 N 0.56 1.35 -0.68 3.11 2.04 -0.88 -2.04 117.51 120.96 3ag4 h ILE 167 Ca 0.16 -1.95 -0.03 0.00 1.00 0.00 0.00 64.86 64.03 3ag4 h ILE 167 Cb -0.05 1.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 3ag4 h ILE 167 CO -0.04 0.60 0.30 0.74 0.00 0.00 0.00 178.15 179.74 3ag4 h THR 168 N 0.35 1.24 -0.84 -0.27 2.02 -0.58 -1.37 112.91 113.47 3ag4 h THR 168 Ca -0.01 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 3ag4 h THR 168 Cb 1.19 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 3ag4 h THR 168 CO 0.11 0.29 0.48 -0.07 0.37 0.00 0.00 175.52 176.70 3ag4 h LEU 169 N 0.96 1.03 -0.69 2.58 3.38 -0.80 0.10 115.31 121.86 3ag4 h LEU 169 Ca 0.23 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.18 3ag4 h LEU 169 Cb 0.17 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 3ag4 h LEU 169 CO -0.02 0.81 0.39 1.23 0.09 0.00 0.00 178.44 180.94 3ag4 h GLY 170 N 1.16 1.02 1.04 0.83 0.00 -0.70 0.35 103.07 106.77 3ag4 h GLY 170 Ca 0.30 -0.27 -0.16 0.00 0.00 0.00 0.00 47.33 47.20 3ag4 h GLY 170 CO -0.05 0.17 -0.45 -2.08 0.00 0.00 0.00 176.54 174.13 3ag4 h VAL 171 N 0.72 1.30 -0.05 4.60 2.07 -1.07 -0.87 116.25 122.94 3ag4 h VAL 171 Ca 0.31 -1.64 0.02 0.00 0.82 0.00 0.00 66.70 66.21 3ag4 h VAL 171 Cb 0.19 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 3ag4 h VAL 171 CO -0.18 0.53 -0.07 0.22 0.02 0.00 0.00 177.57 178.08 3ag4 h TYR 172 N 0.51 -0.17 -0.69 1.57 3.20 -0.43 0.09 116.97 121.04 3ag4 h TYR 172 Ca 0.02 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.05 3ag4 h TYR 172 Cb 1.05 0.08 -0.12 0.00 1.54 0.00 0.00 36.73 39.28 3ag4 h TYR 172 CO 0.08 -0.11 -0.01 0.35 -1.64 0.00 0.00 178.16 176.83 3ag4 h PHE 173 N -0.10 -0.07 -0.48 -3.82 3.57 -0.80 0.20 116.94 115.45 3ag4 h PHE 173 Ca 0.05 0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 3ag4 h PHE 173 Cb 0.16 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3ag4 h PHE 173 CO -0.16 -0.21 -0.18 1.15 -2.23 0.00 0.00 178.31 176.67 3ag4 h THR 174 N 0.10 1.27 -0.20 4.41 2.02 -0.52 0.59 112.91 120.59 3ag4 h THR 174 Ca 0.37 -1.34 -0.15 0.00 0.77 0.00 0.00 66.41 66.06 3ag4 h THR 174 Cb 0.62 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 3ag4 h THR 174 CO -0.61 0.46 -0.50 -0.07 0.37 0.00 0.00 175.52 175.17 3ag4 h LEU 175 N 0.81 0.58 -0.59 2.58 3.38 -0.54 -0.50 115.31 121.03 3ag4 h LEU 175 Ca 0.11 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3ag4 h LEU 175 Cb 0.75 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3ag4 h LEU 175 CO 0.06 0.98 0.24 -0.07 0.09 0.00 0.00 178.44 179.75 3ag4 h LEU 176 N 0.42 0.81 -0.60 1.67 3.38 -0.28 -2.10 115.31 118.61 3ag4 h LEU 176 Ca 0.02 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 3ag4 h LEU 176 Cb 1.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3ag4 h LEU 176 CO 0.09 0.76 0.14 -0.61 0.09 0.00 0.00 178.44 178.91 3ag4 h GLN 177 N 0.82 0.97 -1.00 1.13 5.75 -0.48 -0.80 115.11 121.50 3ag4 h GLN 177 Ca 0.20 -0.24 0.01 0.00 -0.15 0.00 0.00 58.65 58.47 3ag4 h GLN 177 Cb 0.19 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.57 3ag4 h GLN 177 CO -0.02 0.90 0.66 0.00 -2.65 0.00 0.00 178.83 177.72 3ag4 h ALA 178 N 1.03 1.27 -0.33 3.38 0.00 -0.87 0.51 119.26 124.26 3ag4 h ALA 178 Ca 0.19 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 3ag4 h ALA 178 Cb 0.37 -0.41 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ag4 h ALA 178 CO 0.00 0.66 -0.37 1.03 0.00 0.00 0.00 179.25 180.57 3ag4 h SER 179 N 1.36 0.90 -0.94 0.00 0.87 -1.24 -1.71 113.55 112.78 3ag4 h SER 179 Ca 0.37 -0.48 0.06 0.00 -1.23 0.00 0.00 61.79 60.50 3ag4 h SER 179 Cb -0.15 -0.25 -0.06 0.00 -0.44 0.00 0.00 62.40 61.49 3ag4 h SER 179 CO -0.08 1.20 0.61 -0.33 -0.53 0.00 0.00 176.83 177.70 3ag4 h GLU 180 N 0.61 1.07 0.08 2.24 4.39 -0.55 0.37 114.58 122.79 3ag4 h GLU 180 Ca 0.05 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 3ag4 h GLU 180 Cb 0.96 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 3ag4 h GLU 180 CO 0.09 0.71 -0.04 1.88 -1.16 0.00 0.00 179.01 180.49 3ag4 h TYR 181 N 1.11 -0.10 -0.64 4.33 -1.99 -0.66 0.43 116.97 119.45 3ag4 h TYR 181 Ca 0.40 -0.00 0.10 0.00 2.00 0.00 0.00 58.73 61.23 3ag4 h TYR 181 Cb 0.15 0.03 -0.08 0.00 2.00 0.00 0.00 36.73 38.84 3ag4 h TYR 181 CO -0.00 0.16 0.25 -0.92 -0.00 0.00 0.00 178.16 177.64 3ag4 h TYR 182 N -0.35 0.43 0.00 4.88 5.03 -0.88 -3.10 116.97 122.98 3ag4 h TYR 182 Ca -0.01 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.27 3ag4 h TYR 182 Cb 0.30 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.48 3ag4 h TYR 182 CO 0.01 0.10 -0.28 0.93 -1.32 0.00 0.00 178.16 177.60 3ag4 h GLU 183 N 0.43 0.00 -6.70 1.82 4.39 -0.70 -3.46 114.58 110.35 3ag4 h GLU 183 Ca 0.33 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.50 3ag4 h GLU 183 Cb 0.42 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 29.13 3ag4 h GLU 183 CO -0.32 0.28 0.94 0.00 -1.16 0.00 0.00 179.01 178.75 3ag4 s ALA 184 N -3.32 3.84 -1.30 3.43 0.00 0.12 -4.87 121.76 119.66 3ag4 s ALA 184 Ca 0.03 1.53 0.22 0.00 0.00 0.00 0.00 51.96 53.74 3ag4 s ALA 184 Cb 0.08 -3.66 1.04 0.00 0.00 0.00 0.00 23.12 20.58 3ag4 s ALA 184 CO 0.68 -0.91 1.69 -0.35 0.00 0.00 0.00 175.76 176.87 3ag4 n PRO 185 N 3.34 0.21 -4.37 0.00 -0.04 -1.26 -4.78 135.00 128.11 3ag4 n PRO 185 Ca 0.13 0.10 -0.25 0.00 -0.04 0.00 0.00 63.50 63.43 3ag4 n PRO 185 Cb 0.37 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 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 -2.70 2.49 0.44 0.54 -0.12 -1.26 -5.02 117.98 112.35 3ag4 s PHE 186 Ca 0.17 -0.28 0.03 0.00 -0.05 0.00 0.00 56.93 56.80 3ag4 s PHE 186 Cb 0.14 -1.16 -0.01 0.00 -0.63 0.00 0.00 43.02 41.36 3ag4 s PHE 186 CO 0.35 0.59 0.10 0.25 -0.05 0.00 0.00 175.22 176.46 3ag4 n THR 187 N -0.28 0.00 0.25 -4.49 -2.24 -1.26 -5.02 114.28 101.24 3ag4 n THR 187 Ca -0.09 -2.41 0.13 0.00 -2.27 0.00 0.00 64.05 59.41 3ag4 n THR 187 Cb 0.57 0.75 0.65 0.00 -2.10 0.00 0.00 70.33 70.21 3ag4 n THR 187 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3ag4 h ILE 188 N 1.56 0.47 -0.26 2.28 2.10 -1.95 -2.18 117.51 119.52 3ag4 h ILE 188 Ca -0.35 -0.72 0.00 0.00 1.08 0.00 0.00 64.86 64.87 3ag4 h ILE 188 Cb 1.25 1.50 0.00 0.00 -1.09 0.00 0.00 36.82 38.47 3ag4 h ILE 188 CO 0.57 0.14 0.00 -1.54 -1.08 0.00 0.00 178.15 176.23 3ag4 n SER 189 N -3.45 1.58 -3.73 2.19 3.41 -1.26 -3.46 113.62 108.91 3ag4 n SER 189 Ca -0.01 -1.91 -0.42 0.00 -0.26 0.00 0.00 58.87 56.28 3ag4 n SER 189 Cb 0.31 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 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 0.33 6.58 -0.26 4.04 8.00 -0.82 -4.95 116.55 129.47 3ag4 n ASP 190 Ca 0.12 -3.24 0.00 0.00 0.71 0.00 0.00 54.79 52.38 3ag4 n ASP 190 Cb 0.27 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.00 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 1.87 -0.33 0.24 0.44 0.00 -1.26 -2.16 105.19 103.98 3ag4 n GLY 191 Ca 0.46 -1.03 0.15 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 0.24 1.61 3.04 -1.92 -0.08 116.25 119.13 3ag4 h VAL 192 Ca 0.00 -0.69 -0.01 0.00 -1.01 0.00 0.00 66.70 64.98 3ag4 h VAL 192 Cb 0.00 1.68 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 3ag4 h VAL 192 CO 0.00 0.00 -0.11 0.22 -1.01 0.00 0.00 177.57 176.67 3ag4 h TYR 193 N 0.00 -0.29 -0.73 3.17 3.20 -1.96 -0.79 116.97 119.57 3ag4 h TYR 193 Ca 0.00 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.88 3ag4 h TYR 193 Cb 0.72 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 39.04 3ag4 h TYR 193 CO 0.00 -0.01 0.47 0.78 -1.64 0.00 0.00 178.16 177.77 3ag4 h GLY 194 N -0.57 1.04 0.90 1.82 0.00 -1.15 -0.48 103.07 104.62 3ag4 h GLY 194 Ca -0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 3ag4 h GLY 194 CO 0.05 0.34 -0.25 1.76 0.00 0.00 0.00 176.54 178.45 3ag4 h SER 195 N 0.95 -0.62 -0.50 0.19 0.02 -0.91 -0.75 113.55 111.93 3ag4 h SER 195 Ca 0.28 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 61.14 3ag4 h SER 195 Cb -0.06 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 3ag4 h SER 195 CO -0.08 -0.40 -0.14 0.71 -1.14 0.00 0.00 176.83 175.78 3ag4 h THR 196 N -0.64 1.27 0.57 -2.27 1.35 -1.11 -1.60 112.91 110.48 3ag4 h THR 196 Ca -0.05 -1.30 -0.02 0.00 -0.55 0.00 0.00 66.41 64.49 3ag4 h THR 196 Cb 0.52 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 67.95 3ag4 h THR 196 CO 0.06 0.45 -0.39 0.15 -0.25 0.00 0.00 175.52 175.54 3ag4 h PHE 197 N 0.88 -1.05 -0.25 4.73 3.57 -0.90 -2.02 116.94 121.91 3ag4 h PHE 197 Ca 0.13 -0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.45 3ag4 h PHE 197 Cb 0.71 0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.83 3ag4 h PHE 197 CO 0.05 -0.58 -0.54 0.74 -2.23 0.00 0.00 178.31 175.75 3ag4 h PHE 198 N -0.92 1.01 -0.18 0.41 -1.00 -1.18 -1.55 116.94 113.53 3ag4 h PHE 198 Ca -0.07 -0.38 -0.21 0.00 2.81 0.00 0.00 57.97 60.12 3ag4 h PHE 198 Cb 0.77 -0.18 0.01 0.00 3.61 0.00 0.00 35.95 40.15 3ag4 h PHE 198 CO -0.13 1.19 -0.72 0.28 -1.61 0.00 0.00 178.31 177.32 3ag4 h VAL 199 N 0.55 1.28 0.21 -0.55 2.07 -1.32 0.25 116.25 118.73 3ag4 h VAL 199 Ca 0.00 -1.91 -0.01 0.00 0.82 0.00 0.00 66.70 65.60 3ag4 h VAL 199 Cb 1.15 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 3ag4 h VAL 199 CO 0.12 0.61 -0.10 0.00 0.02 0.00 0.00 177.57 178.22 3ag4 h ALA 200 N 0.57 -0.28 0.00 1.67 0.00 -1.43 0.30 119.26 120.09 3ag4 h ALA 200 Ca -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3ag4 h ALA 200 Cb 1.35 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 3ag4 h ALA 200 CO 0.15 -0.52 -0.12 1.79 0.00 0.00 0.00 179.25 180.55 3ag4 h THR 201 N -0.55 0.31 0.02 0.00 1.35 -1.36 -1.50 112.91 111.18 3ag4 h THR 201 Ca -0.03 -0.84 -0.11 0.00 -0.55 0.00 0.00 66.41 64.88 3ag4 h THR 201 Cb 0.41 1.65 0.01 0.00 -1.73 0.00 0.00 68.15 68.49 3ag4 h THR 201 CO 0.05 0.12 -0.43 1.23 -0.25 0.00 0.00 175.52 176.24 3ag4 h GLY 202 N 2.05 0.29 1.13 5.82 0.00 -0.33 0.17 103.07 112.21 3ag4 h GLY 202 Ca -0.00 -0.55 0.01 0.00 0.00 0.00 0.00 47.33 46.79 3ag4 h GLY 202 CO 0.02 0.48 0.59 0.74 0.00 0.00 0.00 176.54 178.37 3ag4 h PHE 203 N -0.37 1.12 -0.46 5.60 0.04 -0.85 -1.79 116.94 120.22 3ag4 h PHE 203 Ca -0.06 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3ag4 h PHE 203 Cb 1.19 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 38.94 3ag4 h PHE 203 CO 0.18 0.70 0.30 1.25 -0.60 0.00 0.00 178.31 180.14 3ag4 h HIS 204 N 1.20 0.58 -1.01 -0.55 2.76 -1.14 -1.98 115.15 115.02 3ag4 h HIS 204 Ca 0.32 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.53 3ag4 h HIS 204 Cb -0.14 -0.20 -0.06 0.00 1.55 0.00 0.00 27.41 28.57 3ag4 h HIS 204 CO -0.00 0.37 0.66 0.78 -1.30 0.00 0.00 177.93 178.45 3ag4 h GLY 205 N 0.62 1.45 0.65 5.26 0.00 -0.26 -1.02 103.07 109.77 3ag4 h GLY 205 Ca 0.17 -0.51 0.06 0.00 0.00 0.00 0.00 47.33 47.05 3ag4 h GLY 205 CO -0.04 0.46 0.36 -2.00 0.00 0.00 0.00 176.54 175.32 3ag4 h LEU 206 N 1.31 0.52 -1.37 3.11 5.85 -1.13 -0.93 115.31 122.67 3ag4 h LEU 206 Ca 0.39 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 59.09 3ag4 h LEU 206 Cb -0.06 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3ag4 h LEU 206 CO -0.11 0.33 -0.17 0.45 -0.34 0.00 0.00 178.44 178.60 3ag4 h HIS 207 N 0.65 0.22 -0.40 1.25 3.86 -0.46 0.28 115.15 120.55 3ag4 h HIS 207 Ca 0.30 -0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.34 3ag4 h HIS 207 Cb 0.21 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 3ag4 h HIS 207 CO -0.09 0.38 -0.29 0.28 0.86 0.00 0.00 177.93 179.07 3ag4 h VAL 208 N 0.20 1.28 -0.21 2.45 2.07 -0.67 0.99 116.25 122.35 3ag4 h VAL 208 Ca 0.04 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.08 3ag4 h VAL 208 Cb 0.43 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3ag4 h VAL 208 CO 0.03 0.49 0.06 0.40 0.02 0.00 0.00 177.57 178.57 3ag4 h ILE 209 N 0.73 1.20 -0.01 4.57 2.04 -0.59 0.84 117.51 126.29 3ag4 h ILE 209 Ca 0.08 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.33 3ag4 h ILE 209 Cb 0.88 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 3ag4 h ILE 209 CO 0.08 0.20 -0.06 0.40 0.00 0.00 0.00 178.15 178.76 3ag4 h ILE 210 N 0.17 0.83 -0.66 -0.67 2.04 -0.82 -0.06 117.51 118.34 3ag4 h ILE 210 Ca 0.07 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.02 3ag4 h ILE 210 Cb 0.24 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.09 3ag4 h ILE 210 CO -0.00 0.00 0.31 1.23 0.00 0.00 0.00 178.15 179.69 3ag4 h GLY 211 N -0.11 0.97 0.98 5.37 0.00 -0.73 0.02 103.07 109.57 3ag4 h GLY 211 Ca 0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 3ag4 h GLY 211 CO -0.07 0.04 0.15 1.76 0.00 0.00 0.00 176.54 178.43 3ag4 h SER 212 N 0.54 0.75 -0.75 0.19 0.02 -0.70 0.16 113.55 113.77 3ag4 h SER 212 Ca 0.33 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3ag4 h SER 212 Cb 0.35 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 3ag4 h SER 212 CO -0.27 0.76 0.43 0.74 -1.14 0.00 0.00 176.83 177.35 3ag4 h THR 213 N 0.69 1.22 -0.40 -2.27 2.02 -0.49 -0.10 112.91 113.58 3ag4 h THR 213 Ca 0.16 -0.52 -0.07 0.00 0.77 0.00 0.00 66.41 66.75 3ag4 h THR 213 Cb 0.29 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3ag4 h THR 213 CO -0.00 0.24 -0.02 0.15 0.37 0.00 0.00 175.52 176.25 3ag4 h PHE 214 N 1.03 0.80 -0.74 3.16 3.04 -0.54 -0.81 116.94 122.88 3ag4 h PHE 214 Ca 0.26 -0.15 -0.05 0.00 3.98 0.00 0.00 57.97 62.02 3ag4 h PHE 214 Cb 0.01 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.28 3ag4 h PHE 214 CO -0.00 0.82 0.27 -0.07 -2.02 0.00 0.00 178.31 177.30 3ag4 h LEU 215 N 0.55 1.03 -1.12 0.59 3.38 -0.46 -1.78 115.31 117.51 3ag4 h LEU 215 Ca 0.11 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3ag4 h LEU 215 Cb 0.51 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3ag4 h LEU 215 CO 0.03 0.94 0.49 0.40 0.09 0.00 0.00 178.44 180.38 3ag4 h ILE 216 N 1.08 1.22 0.01 1.22 2.04 -0.39 0.12 117.51 122.81 3ag4 h ILE 216 Ca 0.24 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.63 3ag4 h ILE 216 Cb 0.25 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 3ag4 h ILE 216 CO -0.02 0.23 -0.08 0.58 0.00 0.00 0.00 178.15 178.87 3ag4 h VAL 217 N 1.11 0.79 -0.82 1.67 2.07 -0.63 -1.32 116.25 119.12 3ag4 h VAL 217 Ca 0.29 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.85 3ag4 h VAL 217 Cb -0.05 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 3ag4 h VAL 217 CO -0.06 0.00 0.54 0.00 0.02 0.00 0.00 177.57 178.07 3ag4 h PHE 219 N 0.99 0.21 -0.32 0.00 3.57 -0.21 0.50 116.94 121.69 3ag4 h PHE 219 Ca 0.33 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.72 3ag4 h PHE 219 Cb 0.08 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3ag4 h PHE 219 CO -0.00 0.13 -0.30 0.74 -2.23 0.00 0.00 178.31 176.66 3ag4 h PHE 220 N 0.23 0.77 -0.70 0.41 0.04 -0.76 -1.13 116.94 115.80 3ag4 h PHE 220 Ca 0.07 -0.19 -0.06 0.00 2.80 0.00 0.00 57.97 60.58 3ag4 h PHE 220 Cb -0.02 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 37.92 3ag4 h PHE 220 CO -0.07 0.89 0.20 0.00 -0.60 0.00 0.00 178.31 178.72 3ag4 h ARG 221 N 0.57 1.10 0.46 1.51 3.08 -1.10 -1.33 114.38 118.67 3ag4 h ARG 221 Ca 0.07 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 3ag4 h ARG 221 Cb 0.79 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3ag4 h ARG 221 CO 0.07 0.96 -0.22 0.37 -1.07 0.00 0.00 179.97 180.08 3ag4 h GLN 222 N 1.04 -0.60 -0.98 0.04 5.75 -0.72 -1.15 115.11 118.50 3ag4 h GLN 222 Ca 0.22 0.04 0.33 0.00 -0.15 0.00 0.00 58.65 59.09 3ag4 h GLN 222 Cb 0.34 0.14 -0.17 0.00 1.07 0.00 0.00 27.48 28.85 3ag4 h GLN 222 CO -0.00 -0.39 0.32 -0.07 -2.65 0.00 0.00 178.83 176.03 3ag4 h LEU 223 N -0.63 0.02 -0.19 -2.39 3.38 -1.10 0.15 115.31 114.55 3ag4 h LEU 223 Ca -0.06 0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3ag4 h LEU 223 Cb 0.48 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3ag4 h LEU 223 CO 0.10 -0.33 0.00 0.29 0.09 0.00 0.00 178.44 178.59 3ag4 n LYS 224 N -5.31 1.12 -2.01 1.13 5.02 -0.51 -4.95 118.16 112.65 3ag4 n LYS 224 Ca 0.30 -0.18 -0.15 0.00 -2.02 0.00 0.00 58.31 56.26 3ag4 n LYS 224 Cb 0.98 -1.10 -0.02 0.00 -0.02 0.00 0.00 35.03 34.87 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 -0.40 -0.48 0.11 2.13 3.01 0.53 -4.92 117.46 117.44 3ag4 n PHE 225 Ca 0.04 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.47 3ag4 n PHE 225 Cb 0.06 -2.92 0.09 0.00 -0.01 0.00 0.00 39.48 36.69 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 0.05 -3.26 1.38 3.86 -1.42 -3.44 115.15 112.32 3ag4 h HIS 226 Ca -0.33 -0.02 -0.57 0.00 -1.16 0.00 0.00 60.37 58.29 3ag4 h HIS 226 Cb 1.16 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 29.58 3ag4 h HIS 226 CO 0.39 0.74 -0.03 -0.06 0.86 0.00 0.00 177.93 179.84 3ag4 s PHE 227 N -3.39 3.79 0.44 2.45 0.08 -1.26 -4.96 117.98 115.13 3ag4 s PHE 227 Ca -0.01 1.27 0.03 0.00 0.12 0.00 0.00 56.93 58.34 3ag4 s PHE 227 Cb 0.12 -2.52 0.01 0.00 -0.57 0.00 0.00 43.02 40.05 3ag4 s PHE 227 CO 0.78 0.55 0.63 0.95 -0.10 0.00 0.00 175.22 178.03 3ag4 s THR 228 N -0.95 3.59 0.06 0.64 -4.23 -0.67 -4.98 115.64 109.10 3ag4 s THR 228 Ca 0.29 -0.73 0.31 0.00 -1.18 0.00 0.00 61.69 60.39 3ag4 s THR 228 Cb -0.19 -3.29 0.32 0.00 1.34 0.00 0.00 72.50 70.67 3ag4 s THR 228 CO 0.19 -0.17 1.94 0.77 -0.54 0.00 0.00 174.62 176.81 3ag4 h SER 229 N 0.48 0.00 0.00 3.99 4.64 -1.90 -3.14 113.55 117.62 3ag4 h SER 229 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3ag4 h SER 229 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3ag4 h SER 229 CO 0.53 0.00 -1.12 0.59 -0.87 0.00 0.00 176.83 175.97 3ag4 n ASN 230 N -2.64 2.98 -3.94 4.97 3.02 -1.26 -4.17 115.26 114.22 3ag4 n ASN 230 Ca -0.01 -0.11 -0.31 0.00 -0.03 0.00 0.00 54.58 54.12 3ag4 n ASN 230 Cb 0.13 1.24 -0.15 0.00 -0.61 0.00 0.00 39.78 40.39 3ag4 n ASN 230 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3ag4 s HIS 231 N -2.29 2.70 -0.43 3.10 2.46 -1.19 -4.96 115.29 114.67 3ag4 s HIS 231 Ca -0.02 -2.12 0.07 0.00 0.47 0.00 0.00 55.06 53.47 3ag4 s HIS 231 Cb 0.04 -1.98 0.35 0.00 -0.13 0.00 0.00 32.58 30.86 3ag4 s HIS 231 CO 0.26 -0.85 1.19 -2.39 -2.47 0.00 0.00 174.74 170.49 3ag4 n HIS 232 N 4.57 -2.58 -0.28 3.88 1.44 -1.26 -1.67 115.22 119.32 3ag4 n HIS 232 Ca -0.06 -2.11 -0.00 0.00 -2.01 0.00 0.00 57.72 53.53 3ag4 n HIS 232 Cb 0.43 1.54 0.19 0.00 0.12 0.00 0.00 29.99 32.27 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 2.63 1.07 -0.49 -1.40 3.04 -1.97 -1.82 116.94 118.00 3ag4 h PHE 233 Ca -0.16 0.03 0.06 0.00 3.98 0.00 0.00 57.97 61.87 3ag4 h PHE 233 Cb 1.17 -0.36 -0.05 0.00 2.56 0.00 0.00 35.95 39.27 3ag4 h PHE 233 CO 0.26 0.67 0.21 0.78 -2.02 0.00 0.00 178.31 178.21 3ag4 h GLY 234 N 1.15 0.67 0.86 2.40 0.00 -1.99 0.80 103.07 106.96 3ag4 h GLY 234 Ca 0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 3ag4 h GLY 234 CO -0.07 0.05 0.05 -2.75 0.00 0.00 0.00 176.54 173.82 3ag4 h PHE 235 N 0.40 0.22 -0.22 5.60 3.57 -1.79 -1.98 116.94 122.73 3ag4 h PHE 235 Ca 0.23 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.77 3ag4 h PHE 235 Cb 0.21 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.81 3ag4 h PHE 235 CO -0.14 0.32 -0.30 0.93 -2.23 0.00 0.00 178.31 176.90 3ag4 h GLU 236 N 0.06 -0.31 -0.80 1.11 5.08 -0.89 -0.66 114.58 118.16 3ag4 h GLU 236 Ca 0.05 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.57 3ag4 h GLU 236 Cb 0.20 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.43 3ag4 h GLU 236 CO -0.00 -0.21 0.38 0.00 -1.00 0.00 0.00 179.01 178.18 3ag4 h ALA 237 N 0.61 1.18 -0.10 3.43 0.00 -0.84 0.12 119.26 123.66 3ag4 h ALA 237 Ca 0.13 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 3ag4 h ALA 237 Cb 0.52 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3ag4 h ALA 237 CO -0.41 -0.14 -0.49 0.00 0.00 0.00 0.00 179.25 178.22 3ag4 h ALA 238 N 1.55 0.99 -0.09 0.00 0.00 -1.09 0.26 119.26 120.88 3ag4 h ALA 238 Ca 0.44 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3ag4 h ALA 238 Cb 0.63 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ag4 h ALA 238 CO -0.37 0.65 -0.08 0.00 0.00 0.00 0.00 179.25 179.45 3ag4 h ALA 239 N 1.29 0.13 -0.74 0.00 0.00 -0.19 -0.53 119.26 119.22 3ag4 h ALA 239 Ca 0.01 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 54.74 3ag4 h ALA 239 Cb 0.94 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 3ag4 h ALA 239 CO 0.08 -0.05 0.36 -1.49 0.00 0.00 0.00 179.25 178.14 3ag4 h TRP 240 N -0.19 0.64 -0.17 0.00 6.55 -0.68 -0.92 115.95 121.18 3ag4 h TRP 240 Ca 0.02 0.03 -0.09 0.00 0.95 0.00 0.00 58.89 59.79 3ag4 h TRP 240 Cb 0.58 -0.18 -0.01 0.00 -0.86 0.00 0.00 29.16 28.69 3ag4 h TRP 240 CO 0.08 0.21 -0.31 -0.92 -1.05 0.00 0.00 178.44 176.45 3ag4 h TYR 241 N 0.59 0.37 -0.32 0.49 3.20 -0.85 -1.79 116.97 118.66 3ag4 h TYR 241 Ca 0.37 -0.08 -0.08 0.00 3.14 0.00 0.00 58.73 62.08 3ag4 h TYR 241 Cb 0.44 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3ag4 h TYR 241 CO -0.11 0.60 -0.12 2.35 -1.64 0.00 0.00 178.16 179.24 3ag4 h TRP 242 N 0.29 0.73 -0.75 -3.82 2.91 -0.53 -0.37 115.95 114.41 3ag4 h TRP 242 Ca 0.04 -0.17 0.00 0.00 1.13 0.00 0.00 58.89 59.89 3ag4 h TRP 242 Cb 0.69 -0.17 -0.04 0.00 -0.51 0.00 0.00 29.16 29.13 3ag4 h TRP 242 CO 0.02 0.84 0.47 0.45 -1.03 0.00 0.00 178.44 179.19 3ag4 h HIS 243 N 0.40 0.96 0.22 2.65 3.86 -1.03 -1.06 115.15 121.16 3ag4 h HIS 243 Ca 0.07 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 3ag4 h HIS 243 Cb 0.63 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.78 3ag4 h HIS 243 CO 0.06 0.63 -0.13 0.35 0.86 0.00 0.00 177.93 179.69 3ag4 h PHE 244 N 1.02 -0.33 -0.89 2.45 3.04 -0.97 0.15 116.94 121.41 3ag4 h PHE 244 Ca 0.27 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.24 3ag4 h PHE 244 Cb -0.08 0.12 -0.05 0.00 2.56 0.00 0.00 35.95 38.50 3ag4 h PHE 244 CO 0.00 -0.20 0.59 0.28 -2.02 0.00 0.00 178.31 176.96 3ag4 h VAL 245 N -0.33 1.18 -0.49 1.41 2.07 -0.69 -0.64 116.25 118.76 3ag4 h VAL 245 Ca -0.02 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 3ag4 h VAL 245 Cb 0.27 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 3ag4 h VAL 245 CO 0.03 0.21 0.12 -0.78 0.02 0.00 0.00 177.57 177.17 3ag4 h ASP 246 N 1.16 0.74 -0.50 0.57 3.58 -0.72 -1.48 116.42 119.77 3ag4 h ASP 246 Ca 0.34 -0.23 -0.13 0.00 0.42 0.00 0.00 57.03 57.44 3ag4 h ASP 246 Cb -0.05 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.79 3ag4 h ASP 246 CO -0.09 0.78 -0.18 0.58 -2.88 0.00 0.00 179.24 177.44 3ag4 h VAL 247 N 0.67 1.27 -0.57 2.25 2.07 -0.18 -1.32 116.25 120.43 3ag4 h VAL 247 Ca 0.15 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.33 3ag4 h VAL 247 Cb 0.33 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3ag4 h VAL 247 CO 0.00 0.47 0.36 0.58 0.02 0.00 0.00 177.57 179.00 3ag4 h VAL 248 N 0.88 1.16 -0.25 2.57 2.07 -1.06 -1.80 116.25 119.82 3ag4 h VAL 248 Ca 0.12 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.36 3ag4 h VAL 248 Cb 0.76 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3ag4 h VAL 248 CO 0.06 0.16 -0.04 -0.25 0.02 0.00 0.00 177.57 177.52 3ag4 h TRP 249 N 0.78 -0.09 -0.91 1.57 2.91 -0.92 -0.38 115.95 118.90 3ag4 h TRP 249 Ca 0.21 0.02 0.15 0.00 1.13 0.00 0.00 58.89 60.40 3ag4 h TRP 249 Cb -0.05 0.08 -0.07 0.00 -0.51 0.00 0.00 29.16 28.61 3ag4 h TRP 249 CO -0.03 -0.09 0.58 -0.07 -1.03 0.00 0.00 178.44 177.81 3ag4 h LEU 250 N 0.02 0.67 -0.18 0.65 3.38 -0.70 0.33 115.31 119.48 3ag4 h LEU 250 Ca 0.12 0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.93 3ag4 h LEU 250 Cb 0.17 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.84 3ag4 h LEU 250 CO -0.24 0.33 -0.69 -0.26 0.09 0.00 0.00 178.44 177.67 3ag4 h PHE 251 N 0.70 1.04 -0.57 1.13 -1.00 -0.81 -1.93 116.94 115.50 3ag4 h PHE 251 Ca 0.46 -0.44 0.01 0.00 2.81 0.00 0.00 57.97 60.81 3ag4 h PHE 251 Cb 0.74 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 40.10 3ag4 h PHE 251 CO -0.00 1.27 0.38 -0.07 -1.61 0.00 0.00 178.31 178.27 3ag4 h LEU 252 N 0.52 0.64 0.40 1.54 3.38 -0.21 -0.57 115.31 121.02 3ag4 h LEU 252 Ca -0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3ag4 h LEU 252 Cb 1.32 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3ag4 h LEU 252 CO 0.15 0.46 -0.19 0.22 0.09 0.00 0.00 178.44 179.17 3ag4 h TYR 253 N 0.76 -0.50 -0.20 1.13 3.20 -0.33 0.37 116.97 121.41 3ag4 h TYR 253 Ca 0.21 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 3ag4 h TYR 253 Cb -0.07 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 3ag4 h TYR 253 CO -0.04 -0.28 0.10 0.28 -1.64 0.00 0.00 178.16 176.59 3ag4 h VAL 254 N -0.59 1.12 0.35 1.81 2.07 -1.36 -0.08 116.25 119.56 3ag4 h VAL 254 Ca -0.05 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 3ag4 h VAL 254 Cb 0.44 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3ag4 h VAL 254 CO 0.09 0.11 -0.17 0.28 0.02 0.00 0.00 177.57 177.91 3ag4 h SER 255 N 0.21 -0.39 0.12 0.57 0.02 -1.01 0.46 113.55 113.52 3ag4 h SER 255 Ca 0.07 -0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.76 3ag4 h SER 255 Cb 0.09 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3ag4 h SER 255 CO -0.01 0.05 -1.32 0.40 -1.14 0.00 0.00 176.83 174.82 3ag4 h ILE 256 N -1.12 1.11 0.19 3.27 2.04 -0.39 -0.51 117.51 122.10 3ag4 h ILE 256 Ca -0.05 -2.43 -0.35 0.00 1.00 0.00 0.00 64.86 63.04 3ag4 h ILE 256 Cb 0.37 2.80 0.01 0.00 -0.74 0.00 0.00 36.82 39.26 3ag4 h ILE 256 CO 0.08 0.70 -1.72 1.88 0.00 0.00 0.00 178.15 179.09 3ag4 h TYR 257 N -0.31 0.74 0.00 1.37 0.05 -1.33 -3.22 116.97 114.27 3ag4 h TYR 257 Ca -0.28 -0.54 0.00 0.00 0.05 0.00 0.00 58.73 57.96 3ag4 h TYR 257 Cb 1.75 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 39.46 3ag4 h TYR 257 CO 0.14 1.66 0.00 1.87 -1.05 0.00 0.00 178.16 180.78 3ag4 n TRP 258 N -3.60 0.00 -0.28 4.88 -0.00 -0.07 -4.03 117.44 114.34 3ag4 n TRP 258 Ca -0.24 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.31 3ag4 n TRP 258 Cb 1.08 -0.11 0.26 0.00 -0.00 0.00 0.00 31.31 32.54 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 0.00 0.99 -0.12 5.87 7.01 -0.98 -2.34 115.95 126.38 3ag4 h TRP 259 Ca 0.00 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.03 3ag4 h TRP 259 Cb 0.00 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 26.73 3ag4 h TRP 259 CO 0.00 0.52 0.00 0.41 -2.79 0.00 0.00 178.44 176.58 3ag4 n GLY 260 N -1.41 -0.18 0.93 2.65 0.00 -0.20 -5.02 105.19 101.97 3ag4 n GLY 260 Ca 0.13 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.13 3ag4 n GLY 260 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18