#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wc3 s LYS 4 N 0.00 2.32 0.09 7.34 1.02 0.40 -4.98 119.74 125.92 2wc3 s LYS 4 Ca 0.00 -2.20 -0.20 0.00 0.02 0.00 0.00 55.97 53.59 2wc3 s LYS 4 Cb 0.00 -3.67 -0.07 0.00 -0.52 0.00 0.00 37.83 33.57 2wc3 s LYS 4 CO 0.00 -1.13 0.60 0.21 -0.92 0.00 0.00 175.35 174.11 2wc3 s LYS 5 N 0.50 4.26 0.45 1.68 2.47 -1.26 -1.05 119.74 126.78 2wc3 s LYS 5 Ca 0.13 0.80 0.07 0.00 -1.56 0.00 0.00 55.97 55.40 2wc3 s LYS 5 Cb -0.22 -3.24 0.02 0.00 -1.46 0.00 0.00 37.83 32.93 2wc3 s LYS 5 CO -0.04 0.63 0.62 -0.06 0.16 0.00 0.00 175.35 176.66 2wc3 s PHE 6 N -1.10 2.75 0.66 4.03 0.40 0.51 -4.98 117.98 120.24 2wc3 s PHE 6 Ca 0.30 -0.34 -0.16 0.00 -0.60 0.00 0.00 56.93 56.13 2wc3 s PHE 6 Cb -0.20 -2.45 0.00 0.00 0.51 0.00 0.00 43.02 40.89 2wc3 s PHE 6 CO 0.20 -0.54 1.16 -2.14 0.70 0.00 0.00 175.22 174.59 2wc3 s PRO 7 N -4.44 2.68 -0.01 0.24 0.02 -1.26 -4.91 135.00 127.31 2wc3 s PRO 7 Ca 0.56 1.59 -0.39 0.00 0.02 0.00 0.00 61.00 62.78 2wc3 s PRO 7 Cb -0.10 -1.92 -0.18 0.00 0.02 0.00 0.00 34.50 32.32 2wc3 s PRO 7 CO 0.34 -1.38 1.30 -1.91 -0.33 0.00 0.00 177.00 175.02 2wc3 n GLU 8 N -2.27 0.66 -0.71 5.54 4.07 -1.26 -1.69 120.64 124.99 2wc3 n GLU 8 Ca 0.12 0.24 0.00 0.00 -0.06 0.00 0.00 57.16 57.46 2wc3 n GLU 8 Cb 0.51 -1.83 0.00 0.00 -0.06 0.00 0.00 31.44 30.06 2wc3 n GLU 8 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wc3 n GLY 9 N 2.40 0.83 3.72 8.31 0.00 -1.26 -5.01 105.19 114.17 2wc3 n GLY 9 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 2wc3 n GLY 9 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wc3 n PHE 10 N -2.09 2.60 -3.31 1.61 7.35 -0.68 -4.93 117.46 118.00 2wc3 n PHE 10 Ca 0.00 0.29 -0.42 0.00 -0.76 0.00 0.00 57.45 56.57 2wc3 n PHE 10 Cb 0.00 -2.56 -0.09 0.00 0.35 0.00 0.00 39.48 37.19 2wc3 n PHE 10 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 2wc3 s LEU 11 N -0.08 4.53 -0.26 -2.13 2.96 -0.19 -4.98 118.68 118.52 2wc3 s LEU 11 Ca 0.67 -0.30 -0.12 0.00 -0.22 0.00 0.00 54.13 54.17 2wc3 s LEU 11 Cb -0.55 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 43.64 2wc3 s LEU 11 CO 0.47 -0.47 0.21 0.26 -1.32 0.00 0.00 176.35 175.50 2wc3 s TRP 12 N 2.21 3.27 0.38 5.38 0.52 -1.26 -0.23 118.94 129.21 2wc3 s TRP 12 Ca 0.15 0.22 0.05 0.00 0.02 0.00 0.00 56.10 56.54 2wc3 s TRP 12 Cb -0.16 -2.37 -0.03 0.00 -1.15 0.00 0.00 33.47 29.76 2wc3 s TRP 12 CO 0.13 -0.08 0.20 0.20 0.02 0.00 0.00 176.95 177.42 2wc3 s GLY 13 N 1.46 2.51 0.10 0.98 0.00 0.14 -1.51 107.32 111.00 2wc3 s GLY 13 Ca 0.09 -1.58 0.03 0.00 0.00 0.00 0.00 44.72 43.26 2wc3 s GLY 13 CO 0.08 -1.67 -0.09 -1.34 0.00 0.00 0.00 173.10 170.09 2wc3 s VAL 14 N -3.32 0.86 0.10 1.40 -7.23 -0.90 -2.13 120.40 109.18 2wc3 s VAL 14 Ca 0.31 -1.78 0.08 0.00 -1.81 0.00 0.00 61.98 58.77 2wc3 s VAL 14 Cb 0.02 -1.51 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 2wc3 s VAL 14 CO 0.20 -0.70 -0.20 0.00 -0.31 0.00 0.00 175.10 174.10 2wc3 s ALA 15 N -2.96 1.73 0.29 1.32 0.00 -0.38 -0.89 121.76 120.87 2wc3 s ALA 15 Ca 0.09 -1.22 -0.05 0.00 0.00 0.00 0.00 51.96 50.77 2wc3 s ALA 15 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 2wc3 s ALA 15 CO -0.02 0.33 0.42 0.95 0.00 0.00 0.00 175.76 177.45 2wc3 s THR 16 N -1.20 0.00 0.03 0.00 -4.23 -0.49 -2.46 115.64 107.29 2wc3 s THR 16 Ca 0.06 -1.60 0.02 0.00 -1.18 0.00 0.00 61.69 58.99 2wc3 s THR 16 Cb -0.10 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.24 2wc3 s THR 16 CO 0.04 0.00 -0.08 0.00 -0.54 0.00 0.00 174.62 174.04 2wc3 s ALA 17 N -3.54 0.61 0.12 3.99 0.00 -1.26 -3.82 121.76 117.86 2wc3 s ALA 17 Ca 0.29 -0.66 -0.31 0.00 0.00 0.00 0.00 51.96 51.28 2wc3 s ALA 17 Cb 0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 23.12 23.03 2wc3 s ALA 17 CO 0.15 0.03 1.57 0.66 0.00 0.00 0.00 175.76 178.18 2wc3 h SER 18 N 4.85 -1.49 0.42 0.00 4.64 -1.89 -1.68 113.55 118.40 2wc3 h SER 18 Ca -0.34 0.18 -0.03 0.00 -0.47 0.00 0.00 61.79 61.13 2wc3 h SER 18 Cb 1.20 0.59 -0.00 0.00 -0.31 0.00 0.00 62.40 63.87 2wc3 h SER 18 CO 0.43 -0.46 -0.14 0.22 -0.87 0.00 0.00 176.83 176.00 2wc3 h TYR 19 N -0.56 0.00 0.00 4.77 3.20 -1.93 -1.61 116.97 120.85 2wc3 h TYR 19 Ca 0.05 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 2wc3 h TYR 19 Cb 0.67 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 2wc3 h TYR 19 CO -0.52 0.14 -0.43 1.96 -1.64 0.00 0.00 178.16 177.68 2wc3 h GLN 20 N 0.00 0.00 0.00 1.82 4.20 -1.56 -3.38 115.11 116.18 2wc3 h GLN 20 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wc3 h GLN 20 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2wc3 h GLN 20 CO 0.02 0.43 -0.88 0.44 -0.67 0.00 0.00 178.83 178.17 2wc3 n ILE 21 N -3.34 0.00 -0.05 2.54 -5.35 -1.05 -1.18 119.36 110.94 2wc3 n ILE 21 Ca 0.01 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.36 2wc3 n ILE 21 Cb 0.63 -0.06 -0.07 0.00 -1.74 0.00 0.00 39.64 38.39 2wc3 n ILE 21 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2wc3 h GLU 22 N 0.00 0.32 0.00 6.28 5.08 -1.49 -1.62 114.58 123.16 2wc3 h GLU 22 Ca 0.00 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2wc3 h GLU 22 Cb 0.34 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2wc3 h GLU 22 CO 0.00 0.72 0.00 0.41 -1.00 0.00 0.00 179.01 179.14 2wc3 n GLY 23 N 0.21 -1.07 4.07 -3.84 0.00 -1.18 -0.04 105.19 103.34 2wc3 n GLY 23 Ca -0.06 -1.10 -0.28 0.00 0.00 0.00 0.00 46.02 44.57 2wc3 n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wc3 n SER 24 N -1.86 -0.25 0.27 1.61 7.64 -0.65 -4.73 113.62 115.65 2wc3 n SER 24 Ca 0.00 -1.11 0.13 0.00 1.01 0.00 0.00 58.87 58.89 2wc3 n SER 24 Cb 0.00 -2.52 0.77 0.00 -1.01 0.00 0.00 64.21 61.45 2wc3 n SER 24 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2wc3 h PRO 25 N -1.86 0.00 -0.38 1.43 0.13 -1.82 -2.06 132.00 127.45 2wc3 h PRO 25 Ca -0.65 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 2wc3 h PRO 25 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2wc3 h PRO 25 CO 0.64 0.08 0.00 1.28 -0.23 0.00 0.00 178.00 179.77 2wc3 n LEU 26 N -3.81 3.04 -4.77 1.56 4.77 -1.26 -4.62 117.00 111.90 2wc3 n LEU 26 Ca -0.02 -1.83 -0.35 0.00 -0.03 0.00 0.00 56.01 53.78 2wc3 n LEU 26 Cb 0.18 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2wc3 n LEU 26 CO 0.30 0.73 0.78 0.00 -1.33 0.00 0.00 177.39 177.87 2wc3 s ALA 27 N -1.04 2.70 -1.41 -1.18 0.00 -0.78 -3.74 121.76 116.31 2wc3 s ALA 27 Ca 0.28 0.81 -0.08 0.00 0.00 0.00 0.00 51.96 52.97 2wc3 s ALA 27 Cb 0.15 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.96 2wc3 s ALA 27 CO 0.20 -0.76 0.95 -0.25 0.00 0.00 0.00 175.76 175.90 2wc3 n ASP 28 N -1.31 -3.91 0.00 0.00 8.00 -1.26 -1.84 116.55 116.23 2wc3 n ASP 28 Ca 0.11 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.88 2wc3 n ASP 28 Cb 0.51 -4.25 0.00 0.00 -0.02 0.00 0.00 41.12 37.36 2wc3 n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wc3 n GLY 29 N -1.68 0.72 3.77 0.44 0.00 -1.26 -4.66 105.19 102.52 2wc3 n GLY 29 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 2wc3 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wc3 s ALA 30 N -2.66 3.35 0.46 4.61 0.00 -0.77 -4.79 121.76 121.96 2wc3 s ALA 30 Ca 0.00 1.51 -0.12 0.00 0.00 0.00 0.00 51.96 53.35 2wc3 s ALA 30 Cb 0.00 -3.60 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 2wc3 s ALA 30 CO 0.00 -1.15 0.86 0.20 0.00 0.00 0.00 175.76 175.66 2wc3 s GLY 31 N -0.38 1.92 0.56 0.00 0.00 -0.48 -4.72 107.32 104.21 2wc3 s GLY 31 Ca 0.58 -0.10 -0.21 0.00 0.00 0.00 0.00 44.72 44.99 2wc3 s GLY 31 CO 0.59 0.12 1.34 1.03 0.00 0.00 0.00 173.10 176.18 2wc3 n MET 32 N -1.58 1.61 -3.80 2.90 2.81 -1.26 -4.65 117.12 113.15 2wc3 n MET 32 Ca 0.04 0.60 -0.21 0.00 -1.81 0.00 0.00 57.70 56.31 2wc3 n MET 32 Cb 0.54 -2.56 -0.04 0.00 -0.71 0.00 0.00 33.22 30.45 2wc3 n MET 32 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2wc3 s SER 33 N -0.97 5.23 0.57 7.83 1.04 -1.26 -0.67 113.70 125.47 2wc3 s SER 33 Ca 0.73 -0.54 0.32 0.00 0.48 0.00 0.00 55.95 56.94 2wc3 s SER 33 Cb -0.41 -0.91 1.73 0.00 0.10 0.00 0.00 66.02 66.52 2wc3 s SER 33 CO 0.48 -0.38 2.17 0.16 0.98 0.00 0.00 173.24 176.65 2wc3 h ILE 34 N 1.24 0.41 0.04 -1.02 3.07 -1.08 -2.50 117.51 117.68 2wc3 h ILE 34 Ca -0.44 -0.29 -0.23 0.00 1.55 0.00 0.00 64.86 65.44 2wc3 h ILE 34 Cb 1.26 1.20 -0.00 0.00 -0.27 0.00 0.00 36.82 39.01 2wc3 h ILE 34 CO 0.58 0.06 -1.03 -0.50 -1.05 0.00 0.00 178.15 176.22 2wc3 h TRP 35 N 0.00 0.43 0.31 0.16 4.06 -1.85 0.07 115.95 119.13 2wc3 h TRP 35 Ca -0.00 -0.27 -0.00 0.00 2.06 0.00 0.00 58.89 60.68 2wc3 h TRP 35 Cb 0.20 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 28.30 2wc3 h TRP 35 CO 0.00 1.13 -0.29 1.25 -3.56 0.00 0.00 178.44 176.97 2wc3 h HIS 36 N 0.12 -0.77 -0.50 0.49 2.76 -1.85 -1.14 115.15 114.26 2wc3 h HIS 36 Ca -0.08 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 57.97 2wc3 h HIS 36 Cb 1.70 0.30 -0.02 0.00 1.55 0.00 0.00 27.41 30.94 2wc3 h HIS 36 CO 0.05 -0.42 -0.17 1.79 -1.30 0.00 0.00 177.93 177.87 2wc3 h THR 37 N -0.62 1.27 -0.37 6.26 1.35 -1.51 -2.33 112.91 116.95 2wc3 h THR 37 Ca -0.02 -1.33 0.02 0.00 -0.55 0.00 0.00 66.41 64.53 2wc3 h THR 37 Cb 0.56 1.06 -0.03 0.00 -1.73 0.00 0.00 68.15 68.02 2wc3 h THR 37 CO -0.05 0.46 0.21 0.15 -0.25 0.00 0.00 175.52 176.04 2wc3 h PHE 38 N 0.87 0.39 0.00 4.73 3.57 -0.97 -2.93 116.94 122.60 2wc3 h PHE 38 Ca 0.12 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 2wc3 h PHE 38 Cb 0.75 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 2wc3 h PHE 38 CO 0.05 0.22 -0.35 0.66 -2.23 0.00 0.00 178.31 176.66 2wc3 h SER 39 N 0.42 0.00 -0.08 0.41 4.64 -1.14 -2.40 113.55 115.41 2wc3 h SER 39 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2wc3 h SER 39 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2wc3 h SER 39 CO -0.08 0.35 0.00 1.41 -0.87 0.00 0.00 176.83 177.64 2wc3 n HIS 40 N -3.33 0.11 -3.55 4.77 8.25 -0.88 -4.70 115.22 115.88 2wc3 n HIS 40 Ca 0.01 -0.05 -0.40 0.00 -0.26 0.00 0.00 57.72 57.02 2wc3 n HIS 40 Cb 0.57 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.58 2wc3 n HIS 40 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2wc3 s THR 41 N -1.89 5.25 0.33 1.59 2.01 -0.90 -5.05 115.64 116.97 2wc3 s THR 41 Ca 0.16 -0.16 -0.27 0.00 0.31 0.00 0.00 61.69 61.73 2wc3 s THR 41 Cb 0.08 -3.66 -0.13 0.00 0.01 0.00 0.00 72.50 68.80 2wc3 s THR 41 CO 0.12 0.04 1.08 -2.65 -0.69 0.00 0.00 174.62 172.52 2wc3 n PRO 42 N 5.09 1.55 0.00 4.92 -0.02 -1.26 -2.44 135.00 142.83 2wc3 n PRO 42 Ca -0.13 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2wc3 n PRO 42 Cb 0.50 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2wc3 n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wc3 n GLY 43 N 1.10 1.90 0.09 -1.23 0.00 -1.26 -4.92 105.19 100.86 2wc3 n GLY 43 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 2wc3 n GLY 43 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wc3 h ASN 44 N 0.00 0.14 -4.35 1.61 2.35 -1.75 -3.47 115.58 110.12 2wc3 h ASN 44 Ca 0.00 -0.22 -0.68 0.00 -0.55 0.00 0.00 56.30 54.85 2wc3 h ASN 44 Cb 0.00 -0.05 -0.27 0.00 0.05 0.00 0.00 38.32 38.05 2wc3 h ASN 44 CO 0.00 1.18 -0.88 -0.69 -1.65 0.00 0.00 177.43 175.40 2wc3 s VAL 45 N -2.63 2.05 0.28 2.81 1.01 -1.26 -4.78 120.40 117.88 2wc3 s VAL 45 Ca -0.05 -1.31 -0.29 0.00 0.00 0.00 0.00 61.98 60.33 2wc3 s VAL 45 Cb 0.08 -1.75 -0.14 0.00 0.00 0.00 0.00 36.38 34.57 2wc3 s VAL 45 CO 0.83 0.38 1.07 1.17 0.00 0.00 0.00 175.10 178.55 2wc3 n LYS 46 N 1.90 1.45 -1.68 2.72 4.81 0.19 -1.75 118.16 125.80 2wc3 n LYS 46 Ca -0.17 0.51 -0.14 0.00 -0.87 0.00 0.00 58.31 57.64 2wc3 n LYS 46 Cb 0.52 -1.93 -0.04 0.00 0.02 0.00 0.00 35.03 33.60 2wc3 n LYS 46 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2wc3 n ASN 47 N 1.31 -3.79 -2.34 3.14 3.02 -1.26 -1.29 115.26 114.06 2wc3 n ASN 47 Ca 0.10 0.29 -0.18 0.00 -0.03 0.00 0.00 54.58 54.75 2wc3 n ASN 47 Cb 0.32 -3.42 -0.01 0.00 -0.61 0.00 0.00 39.78 36.05 2wc3 n ASN 47 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wc3 n GLY 48 N -0.41 -0.31 3.77 7.41 0.00 -0.72 -4.95 105.19 109.98 2wc3 n GLY 48 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 2wc3 n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wc3 s ASP 49 N -2.09 5.49 0.18 1.61 1.01 -0.41 -4.99 116.67 117.47 2wc3 s ASP 49 Ca 0.00 2.26 0.01 0.00 0.71 0.00 0.00 52.55 55.53 2wc3 s ASP 49 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2wc3 s ASP 49 CO 0.00 -1.38 0.05 0.42 0.21 0.00 0.00 175.17 174.47 2wc3 s THR 50 N -1.71 0.41 -0.46 -1.27 -4.23 -1.26 -4.76 115.64 102.35 2wc3 s THR 50 Ca 0.75 -1.97 0.04 0.00 -1.18 0.00 0.00 61.69 59.33 2wc3 s THR 50 Cb -0.26 -2.26 0.30 0.00 1.34 0.00 0.00 72.50 71.62 2wc3 s THR 50 CO 0.30 -0.31 1.17 0.61 -0.54 0.00 0.00 174.62 175.84 2wc3 n GLY 51 N -0.25 2.50 0.30 3.99 0.00 -1.26 -4.41 105.19 106.05 2wc3 n GLY 51 Ca -0.04 -0.40 -0.07 0.00 0.00 0.00 0.00 46.02 45.52 2wc3 n GLY 51 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wc3 h ASP 52 N 1.07 0.94 0.00 1.61 5.19 -1.94 -3.34 116.42 119.95 2wc3 h ASP 52 Ca 0.11 -0.17 -0.10 0.00 -0.62 0.00 0.00 57.03 56.25 2wc3 h ASP 52 Cb 1.39 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.64 2wc3 h ASP 52 CO 0.31 0.86 -1.36 0.52 -3.12 0.00 0.00 179.24 176.44 2wc3 n VAL 53 N -4.39 0.36 0.00 -1.35 0.31 -1.26 -1.63 118.33 110.36 2wc3 n VAL 53 Ca 0.05 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 2wc3 n VAL 53 Cb 0.17 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 2wc3 n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wc3 n ALA 54 N -2.95 0.00 0.23 3.52 0.00 -1.26 -0.72 120.51 119.33 2wc3 n ALA 54 Ca -0.12 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.43 2wc3 n ALA 54 Cb 0.61 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.32 2wc3 n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wc3 n ASP 56 N 1.30 -3.74 0.29 0.00 2.03 0.10 -4.83 116.55 111.70 2wc3 n ASP 56 Ca 0.20 -0.15 0.17 0.00 0.52 0.00 0.00 54.79 55.53 2wc3 n ASP 56 Cb 0.54 -3.13 0.89 0.00 -0.72 0.00 0.00 41.12 38.70 2wc3 n ASP 56 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 2wc3 h HIS 57 N -0.61 0.00 -1.00 -0.67 -0.00 -0.82 -0.75 115.15 111.29 2wc3 h HIS 57 Ca -0.37 0.00 0.16 0.00 -0.00 0.00 0.00 60.37 60.16 2wc3 h HIS 57 Cb 1.25 0.00 -0.10 0.00 -0.00 0.00 0.00 27.41 28.57 2wc3 h HIS 57 CO 0.68 0.05 0.62 -0.92 -0.00 0.00 0.00 177.93 178.37 2wc3 h TYR 58 N 0.00 1.11 0.00 5.26 3.20 -0.69 -1.96 116.97 123.89 2wc3 h TYR 58 Ca -0.00 0.03 -0.27 0.00 3.14 0.00 0.00 58.73 61.64 2wc3 h TYR 58 Cb 0.22 -0.34 -0.05 0.00 1.54 0.00 0.00 36.73 38.10 2wc3 h TYR 58 CO 0.00 0.34 -2.21 0.09 -1.64 0.00 0.00 178.16 174.75 2wc3 n ASN 59 N -4.70 0.09 -1.92 -2.11 3.02 -0.69 -4.52 115.26 104.45 2wc3 n ASN 59 Ca 0.21 0.04 0.05 0.00 -0.03 0.00 0.00 54.58 54.85 2wc3 n ASN 59 Cb 0.47 1.13 0.39 0.00 -0.61 0.00 0.00 39.78 41.16 2wc3 n ASN 59 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2wc3 n ARG 60 N -2.66 4.72 -0.32 3.52 1.74 -0.37 -4.63 116.66 118.67 2wc3 n ARG 60 Ca -0.24 -3.16 0.01 0.00 -0.77 0.00 0.00 57.85 53.69 2wc3 n ARG 60 Cb 1.00 -2.27 0.15 0.00 -1.02 0.00 0.00 32.46 30.32 2wc3 n ARG 60 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 2wc3 h TRP 61 N 3.78 1.00 0.03 -1.55 5.08 -1.59 -2.59 115.95 120.11 2wc3 h TRP 61 Ca 0.05 0.03 -0.00 0.00 1.08 0.00 0.00 58.89 60.04 2wc3 h TRP 61 Cb 2.05 -0.32 0.00 0.00 -3.00 0.00 0.00 29.16 27.89 2wc3 h TRP 61 CO 1.14 0.50 -0.02 -0.22 -1.28 0.00 0.00 178.44 178.56 2wc3 h LYS 62 N 0.98 -0.04 -0.89 0.12 3.64 -1.88 -0.65 116.57 117.85 2wc3 h LYS 62 Ca 0.39 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.92 2wc3 h LYS 62 Cb 0.20 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.96 2wc3 h LYS 62 CO -0.18 0.26 0.57 0.93 -2.27 0.00 0.00 179.45 178.76 2wc3 h GLU 63 N -0.35 0.64 -0.34 1.90 3.07 -1.89 -0.21 114.58 117.40 2wc3 h GLU 63 Ca -0.00 -0.04 -0.15 0.00 -0.50 0.00 0.00 59.36 58.67 2wc3 h GLU 63 Cb 0.32 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 2wc3 h GLU 63 CO 0.01 0.42 -0.37 -0.44 -1.40 0.00 0.00 179.01 177.22 2wc3 h ASP 64 N 0.65 0.84 0.47 1.42 3.32 -0.91 -1.87 116.42 120.35 2wc3 h ASP 64 Ca 0.45 -0.37 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 2wc3 h ASP 64 Cb 0.77 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 2wc3 h ASP 64 CO -0.21 1.12 -0.47 0.40 -1.72 0.00 0.00 179.24 178.36 2wc3 h ILE 65 N 0.65 1.34 0.00 0.35 2.04 0.14 -2.77 117.51 119.26 2wc3 h ILE 65 Ca 0.06 -1.62 -0.08 0.00 1.00 0.00 0.00 64.86 64.22 2wc3 h ILE 65 Cb 0.93 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 2wc3 h ILE 65 CO 0.09 0.46 -0.37 -0.33 0.00 0.00 0.00 178.15 177.99 2wc3 h GLU 66 N 0.00 0.00 -0.16 2.37 5.08 -0.62 -0.99 114.58 120.26 2wc3 h GLU 66 Ca -0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 2wc3 h GLU 66 Cb 0.83 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 2wc3 h GLU 66 CO 0.06 0.37 -0.18 0.82 -1.00 0.00 0.00 179.01 179.08 2wc3 h ILE 67 N 0.00 1.35 0.04 3.13 2.04 -1.09 0.24 117.51 123.22 2wc3 h ILE 67 Ca -0.00 -1.37 0.03 0.00 1.00 0.00 0.00 64.86 64.52 2wc3 h ILE 67 Cb 0.80 1.87 -0.04 0.00 -0.74 0.00 0.00 36.82 38.71 2wc3 h ILE 67 CO 0.05 0.41 -0.27 0.40 0.00 0.00 0.00 178.15 178.73 2wc3 h ILE 68 N 0.04 0.40 -0.18 -0.67 2.04 -1.26 0.20 117.51 118.08 2wc3 h ILE 68 Ca 0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.94 2wc3 h ILE 68 Cb 0.73 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 37.14 2wc3 h ILE 68 CO 0.04 0.00 -0.30 -0.08 0.00 0.00 0.00 178.15 177.82 2wc3 h GLU 69 N -0.44 -0.33 -0.88 2.37 4.81 -1.19 -1.56 114.58 117.36 2wc3 h GLU 69 Ca 0.05 0.02 0.18 0.00 -0.13 0.00 0.00 59.36 59.48 2wc3 h GLU 69 Cb 0.50 0.08 -0.11 0.00 0.63 0.00 0.00 28.75 29.85 2wc3 h GLU 69 CO -0.21 -0.22 0.43 -0.22 -0.73 0.00 0.00 179.01 178.06 2wc3 h LYS 70 N -0.35 0.53 -0.02 1.92 3.64 0.05 0.11 116.57 122.45 2wc3 h LYS 70 Ca 0.11 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2wc3 h LYS 70 Cb 0.52 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2wc3 h LYS 70 CO -0.37 0.35 0.00 1.28 -2.27 0.00 0.00 179.45 178.44 2wc3 n LEU 71 N -4.93 0.45 -0.59 5.20 4.77 0.01 -4.93 117.00 116.98 2wc3 n LEU 71 Ca 0.19 -0.17 -0.08 0.00 -0.03 0.00 0.00 56.01 55.93 2wc3 n LEU 71 Cb 0.53 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 2wc3 n LEU 71 CO 0.18 0.08 -0.07 0.61 -1.33 0.00 0.00 177.39 176.86 2wc3 n GLY 72 N 0.99 0.92 3.73 -0.72 0.00 0.39 -4.51 105.19 105.99 2wc3 n GLY 72 Ca 0.20 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 2wc3 n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wc3 s VAL 73 N -2.10 3.73 -0.24 1.61 1.01 -1.07 -4.84 120.40 118.51 2wc3 s VAL 73 Ca 0.00 1.39 0.21 0.00 0.00 0.00 0.00 61.98 63.58 2wc3 s VAL 73 Cb 0.00 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.52 2wc3 s VAL 73 CO 0.00 0.19 1.12 0.11 0.00 0.00 0.00 175.10 176.52 2wc3 h LYS 74 N 5.72 0.00 -4.84 2.72 1.57 -1.62 -3.44 116.57 116.67 2wc3 h LYS 74 Ca -0.44 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.03 2wc3 h LYS 74 Cb 1.21 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.32 2wc3 h LYS 74 CO 0.76 0.09 -0.74 0.00 -0.57 0.00 0.00 179.45 178.99 2wc3 s ALA 75 N -3.23 0.84 -0.11 3.86 0.00 -0.86 0.25 121.76 122.51 2wc3 s ALA 75 Ca 0.01 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 2wc3 s ALA 75 Cb 0.08 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.25 2wc3 s ALA 75 CO 0.77 0.01 -0.04 -0.47 0.00 0.00 0.00 175.76 176.04 2wc3 s TYR 76 N -1.66 1.18 -0.27 0.00 5.04 -0.76 -2.12 117.35 118.76 2wc3 s TYR 76 Ca -0.04 -0.59 -0.18 0.00 -2.44 0.00 0.00 57.07 53.82 2wc3 s TYR 76 Cb -0.08 -1.07 -0.03 0.00 0.35 0.00 0.00 41.96 41.13 2wc3 s TYR 76 CO 0.01 -0.47 0.52 0.50 -1.34 0.00 0.00 175.55 174.77 2wc3 s ARG 77 N 1.81 4.05 0.10 4.97 3.52 -0.07 -1.16 118.95 132.16 2wc3 s ARG 77 Ca 0.04 0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.95 2wc3 s ARG 77 Cb -0.13 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.56 2wc3 s ARG 77 CO -0.07 -0.37 -0.02 -0.59 -0.81 0.00 0.00 175.30 173.43 2wc3 s PHE 78 N 2.32 0.81 0.29 5.12 -0.71 -0.78 -1.40 117.98 123.63 2wc3 s PHE 78 Ca 0.21 -1.03 0.09 0.00 -1.04 0.00 0.00 56.93 55.16 2wc3 s PHE 78 Cb -0.16 -0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 41.12 2wc3 s PHE 78 CO 0.09 -0.29 0.07 -1.54 -1.34 0.00 0.00 175.22 172.21 2wc3 s SER 79 N -3.02 4.69 -0.14 1.98 1.04 -1.25 -0.09 113.70 116.92 2wc3 s SER 79 Ca 0.14 -0.66 -0.04 0.00 0.48 0.00 0.00 55.95 55.86 2wc3 s SER 79 Cb 0.07 -0.85 -0.03 0.00 0.10 0.00 0.00 66.02 65.30 2wc3 s SER 79 CO -0.04 -0.13 0.01 -0.63 0.98 0.00 0.00 173.24 173.43 2wc3 s ILE 80 N -2.35 4.33 -0.64 -1.02 1.01 -0.84 -4.08 121.20 117.61 2wc3 s ILE 80 Ca 0.34 -0.21 -0.26 0.00 0.00 0.00 0.00 60.65 60.52 2wc3 s ILE 80 Cb -0.05 -2.89 0.04 0.00 0.01 0.00 0.00 42.46 39.56 2wc3 s ILE 80 CO 0.21 0.52 1.15 -0.55 0.00 0.00 0.00 174.94 176.27 2wc3 s SER 81 N -0.01 6.29 0.23 3.58 0.15 -1.26 -4.67 113.70 118.01 2wc3 s SER 81 Ca 0.03 -0.31 -0.08 0.00 0.70 0.00 0.00 55.95 56.29 2wc3 s SER 81 Cb -0.13 -2.52 0.37 0.00 -1.71 0.00 0.00 66.02 62.04 2wc3 s SER 81 CO 0.02 -1.56 1.33 1.87 1.20 0.00 0.00 173.24 176.10 2wc3 n TRP 82 N 8.50 0.27 1.39 3.44 -0.00 -1.26 -0.10 117.44 129.68 2wc3 n TRP 82 Ca 0.04 1.04 0.13 0.00 -0.00 0.00 0.00 57.50 58.71 2wc3 n TRP 82 Cb 0.48 -0.97 0.71 0.00 -0.00 0.00 0.00 31.31 31.53 2wc3 n TRP 82 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2wc3 n PRO 83 N -5.38 0.53 0.09 5.87 -0.04 -1.26 -0.80 135.00 134.01 2wc3 n PRO 83 Ca 0.13 0.03 -0.04 0.00 -0.04 0.00 0.00 63.50 63.58 2wc3 n PRO 83 Cb 0.42 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.31 2wc3 n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wc3 h ARG 84 N 0.00 0.00 0.00 0.54 3.08 -0.77 -1.28 114.38 115.96 2wc3 h ARG 84 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 2wc3 h ARG 84 Cb 0.17 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 2wc3 h ARG 84 CO 0.00 0.84 -1.30 0.82 -1.07 0.00 0.00 179.97 179.25 2wc3 h ILE 85 N 0.00 0.89 -3.36 2.04 1.08 -1.30 -3.34 117.51 113.53 2wc3 h ILE 85 Ca -0.01 -2.18 -0.63 0.00 -0.39 0.00 0.00 64.86 61.65 2wc3 h ILE 85 Cb 1.63 2.21 -0.40 0.00 -3.07 0.00 0.00 36.82 37.19 2wc3 h ILE 85 CO 0.11 0.33 -0.69 -0.76 -0.69 0.00 0.00 178.15 176.45 2wc3 s LEU 86 N -7.84 3.87 0.62 1.44 1.43 0.02 0.82 118.68 119.04 2wc3 s LEU 86 Ca -0.29 -2.56 0.39 0.00 -1.03 0.00 0.00 54.13 50.65 2wc3 s LEU 86 Cb 0.06 -1.43 2.03 0.00 0.03 0.00 0.00 46.19 46.89 2wc3 s LEU 86 CO 0.60 -0.30 2.24 -0.65 0.23 0.00 0.00 176.35 178.47 2wc3 h PRO 87 N 7.01 0.00 -0.67 1.29 0.11 -1.70 0.15 132.00 138.19 2wc3 h PRO 87 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2wc3 h PRO 87 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2wc3 h PRO 87 CO 0.58 0.02 0.00 0.39 -0.21 0.00 0.00 178.00 178.77 2wc3 n GLU 88 N -3.23 2.71 0.00 1.05 -0.58 -1.26 -4.34 120.64 115.00 2wc3 n GLU 88 Ca -0.02 -2.58 0.00 0.00 -0.42 0.00 0.00 57.16 54.14 2wc3 n GLU 88 Cb 0.14 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 2wc3 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wc3 n GLY 89 N 1.54 1.90 3.29 0.62 0.00 0.53 -4.61 105.19 108.47 2wc3 n GLY 89 Ca 0.23 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 2wc3 n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wc3 s THR 90 N -0.35 0.69 0.00 2.61 -4.23 -1.26 -4.79 115.64 108.31 2wc3 s THR 90 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2wc3 s THR 90 Cb 0.00 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.47 2wc3 s THR 90 CO 0.00 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 2wc3 n GLY 91 N -0.37 1.46 3.69 3.99 0.00 -1.26 -4.87 105.19 107.84 2wc3 n GLY 91 Ca -0.04 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 2wc3 n GLY 91 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wc3 s ARG 92 N 0.00 4.29 0.03 1.61 3.52 -1.26 -4.98 118.95 122.16 2wc3 s ARG 92 Ca 0.00 2.00 -0.20 0.00 -0.13 0.00 0.00 55.73 57.40 2wc3 s ARG 92 Cb 0.00 -3.50 -0.06 0.00 -1.56 0.00 0.00 34.95 29.83 2wc3 s ARG 92 CO 0.00 -0.54 0.58 0.08 -0.81 0.00 0.00 175.30 174.61 2wc3 s VAL 93 N 2.10 4.82 -0.40 7.11 1.01 -1.26 -4.10 120.40 129.69 2wc3 s VAL 93 Ca 0.64 1.23 -0.18 0.00 0.00 0.00 0.00 61.98 63.67 2wc3 s VAL 93 Cb -0.33 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.15 2wc3 s VAL 93 CO 0.28 0.49 0.51 0.21 0.00 0.00 0.00 175.10 176.59 2wc3 s ASN 94 N -0.65 6.27 0.22 3.32 2.47 0.24 -4.96 114.94 121.85 2wc3 s ASN 94 Ca 0.30 -0.34 -0.08 0.00 0.42 0.00 0.00 52.86 53.17 2wc3 s ASN 94 Cb -0.19 -2.26 0.28 0.00 -1.45 0.00 0.00 41.25 37.63 2wc3 s ASN 94 CO 0.18 -0.59 1.82 -0.61 -3.72 0.00 0.00 177.10 174.18 2wc3 h GLN 95 N 8.66 0.74 0.00 0.43 5.75 -1.89 -0.99 115.11 127.81 2wc3 h GLN 95 Ca -0.27 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.14 2wc3 h GLN 95 Cb 1.11 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.49 2wc3 h GLN 95 CO 0.81 0.49 -0.24 0.87 -2.65 0.00 0.00 178.83 178.11 2wc3 h LYS 96 N 0.76 0.00 -0.09 1.69 1.57 -1.90 -0.48 116.57 118.13 2wc3 h LYS 96 Ca 0.33 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2wc3 h LYS 96 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2wc3 h LYS 96 CO -0.19 0.24 0.04 0.78 -0.57 0.00 0.00 179.45 179.75 2wc3 h GLY 97 N 1.62 0.13 0.77 3.86 0.00 -1.32 -1.09 103.07 107.04 2wc3 h GLY 97 Ca -0.00 -0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.30 2wc3 h GLY 97 CO 0.03 0.06 0.13 1.41 0.00 0.00 0.00 176.54 178.17 2wc3 h LEU 98 N 0.03 0.16 -0.90 3.11 3.38 -0.86 -2.66 115.31 117.57 2wc3 h LEU 98 Ca 0.03 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2wc3 h LEU 98 Cb 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2wc3 h LEU 98 CO -0.00 0.13 0.49 0.44 0.09 0.00 0.00 178.44 179.58 2wc3 h ASP 99 N 0.28 1.12 -0.74 -0.43 3.32 -1.01 0.16 116.42 119.12 2wc3 h ASP 99 Ca 0.14 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.13 2wc3 h ASP 99 Cb 0.09 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 2wc3 h ASP 99 CO -0.13 0.90 0.49 0.15 -1.72 0.00 0.00 179.24 178.93 2wc3 h PHE 100 N 1.26 0.85 0.00 4.55 3.57 -0.84 -2.06 116.94 124.27 2wc3 h PHE 100 Ca 0.32 0.02 -0.30 0.00 3.53 0.00 0.00 57.97 61.53 2wc3 h PHE 100 Cb 0.03 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.43 2wc3 h PHE 100 CO 0.01 0.49 -1.90 0.66 -2.23 0.00 0.00 178.31 175.34 2wc3 n TYR 101 N -4.46 0.68 -0.26 0.41 4.01 -0.84 -3.36 117.16 113.34 2wc3 n TYR 101 Ca 0.10 0.24 0.03 0.00 -0.16 0.00 0.00 57.90 58.11 2wc3 n TYR 101 Cb 0.14 -1.11 0.17 0.00 -0.31 0.00 0.00 39.34 38.23 2wc3 n TYR 101 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 2wc3 h ASN 102 N 0.00 0.48 0.09 7.72 2.35 -0.43 0.26 115.58 126.05 2wc3 h ASN 102 Ca -0.35 0.07 -0.15 0.00 -0.55 0.00 0.00 56.30 55.32 2wc3 h ASN 102 Cb 2.04 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 40.40 2wc3 h ASN 102 CO 0.06 0.25 -0.54 0.03 -1.65 0.00 0.00 177.43 175.57 2wc3 h ARG 103 N 0.61 0.49 -0.30 0.81 3.08 -1.47 0.56 114.38 118.16 2wc3 h ARG 103 Ca 0.39 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 2wc3 h ARG 103 Cb 0.47 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2wc3 h ARG 103 CO -0.31 0.91 0.10 0.82 -1.07 0.00 0.00 179.97 180.42 2wc3 h ILE 104 N 0.38 1.20 -0.17 2.04 2.04 -1.50 -1.44 117.51 120.04 2wc3 h ILE 104 Ca 0.01 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 2wc3 h ILE 104 Cb 1.07 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 2wc3 h ILE 104 CO 0.10 0.21 0.05 0.40 0.00 0.00 0.00 178.15 178.91 2wc3 h ILE 105 N 0.32 1.19 -0.56 -0.67 2.04 0.08 -2.25 117.51 117.66 2wc3 h ILE 105 Ca 0.10 -0.61 0.02 0.00 1.00 0.00 0.00 64.86 65.37 2wc3 h ILE 105 Cb 0.24 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 2wc3 h ILE 105 CO -0.00 0.19 0.35 0.44 0.00 0.00 0.00 178.15 179.13 2wc3 h ASP 106 N 0.10 0.59 -0.51 1.72 3.32 0.07 -2.40 116.42 119.31 2wc3 h ASP 106 Ca 0.06 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 2wc3 h ASP 106 Cb 0.24 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 2wc3 h ASP 106 CO -0.00 0.42 0.16 0.74 -1.72 0.00 0.00 179.24 178.84 2wc3 h THR 107 N 0.71 1.22 -0.37 0.35 2.02 -1.16 -0.64 112.91 115.05 2wc3 h THR 107 Ca 0.22 -0.78 -0.11 0.00 0.77 0.00 0.00 66.41 66.50 2wc3 h THR 107 Cb -0.03 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2wc3 h THR 107 CO -0.07 0.30 -0.23 -0.07 0.37 0.00 0.00 175.52 175.81 2wc3 h LEU 108 N 0.82 0.74 -0.08 2.58 3.38 -1.13 -2.54 115.31 119.08 2wc3 h LEU 108 Ca 0.18 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 2wc3 h LEU 108 Cb 0.26 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2wc3 h LEU 108 CO -0.01 0.96 -0.32 -0.07 0.09 0.00 0.00 178.44 179.09 2wc3 h LEU 109 N 0.64 0.42 -1.52 1.67 4.07 -1.13 0.84 115.31 120.30 2wc3 h LEU 109 Ca 0.09 -0.63 0.25 0.00 0.08 0.00 0.00 57.88 57.67 2wc3 h LEU 109 Cb 0.73 -0.12 -0.08 0.00 1.08 0.00 0.00 40.66 42.28 2wc3 h LEU 109 CO 0.06 0.98 0.66 -0.08 -1.08 0.00 0.00 178.44 178.98 2wc3 h GLU 110 N -0.11 0.33 -0.52 1.13 4.81 -1.03 -1.11 114.58 118.07 2wc3 h GLU 110 Ca -0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2wc3 h GLU 110 Cb 0.96 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.26 2wc3 h GLU 110 CO 0.07 0.22 0.00 1.63 -0.73 0.00 0.00 179.01 180.20 2wc3 n LYS 111 N -4.52 2.58 -1.75 1.92 5.02 -0.96 -4.94 118.16 115.50 2wc3 n LYS 111 Ca 0.23 -2.41 -0.05 0.00 -2.02 0.00 0.00 58.31 54.06 2wc3 n LYS 111 Cb 0.85 -1.51 -0.01 0.00 -0.02 0.00 0.00 35.03 34.34 2wc3 n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wc3 n GLY 112 N 1.47 0.39 3.74 0.72 0.00 -0.42 -5.01 105.19 106.07 2wc3 n GLY 112 Ca 0.21 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 2wc3 n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wc3 s ILE 113 N -2.24 5.26 -0.39 -0.61 1.01 0.29 -4.92 121.20 119.60 2wc3 s ILE 113 Ca 0.00 0.13 -0.24 0.00 0.00 0.00 0.00 60.65 60.54 2wc3 s ILE 113 Cb 0.00 -3.37 0.02 0.00 0.01 0.00 0.00 42.46 39.12 2wc3 s ILE 113 CO 0.00 0.48 0.85 -0.89 0.00 0.00 0.00 174.94 175.38 2wc3 s THR 114 N 0.05 4.64 0.17 2.92 2.01 0.14 -4.05 115.64 121.52 2wc3 s THR 114 Ca 0.08 0.89 -0.30 0.00 0.31 0.00 0.00 61.69 62.68 2wc3 s THR 114 Cb -0.11 -4.29 -0.07 0.00 0.01 0.00 0.00 72.50 68.03 2wc3 s THR 114 CO -0.00 -0.56 1.11 -2.16 -0.69 0.00 0.00 174.62 172.32 2wc3 s PRO 115 N 3.33 4.58 -0.26 4.92 0.04 -1.26 -1.83 135.00 144.52 2wc3 s PRO 115 Ca 0.34 1.72 -0.01 0.00 0.04 0.00 0.00 61.00 63.09 2wc3 s PRO 115 Cb -0.12 -3.28 0.04 0.00 0.04 0.00 0.00 34.50 31.17 2wc3 s PRO 115 CO 0.20 0.04 -0.06 -0.06 0.04 0.00 0.00 177.00 177.16 2wc3 s PHE 116 N -0.13 3.13 -0.23 0.56 0.40 -0.31 -4.19 117.98 117.21 2wc3 s PHE 116 Ca 0.50 -1.77 -0.15 0.00 -0.60 0.00 0.00 56.93 54.92 2wc3 s PHE 116 Cb -0.29 -2.04 -0.04 0.00 0.51 0.00 0.00 43.02 41.15 2wc3 s PHE 116 CO 0.34 -0.78 0.36 0.08 0.70 0.00 0.00 175.22 175.93 2wc3 s VAL 117 N 1.27 5.21 -0.29 -0.44 1.01 -0.62 -1.88 120.40 124.66 2wc3 s VAL 117 Ca -0.02 0.60 -0.23 0.00 0.00 0.00 0.00 61.98 62.33 2wc3 s VAL 117 Cb -0.18 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.50 2wc3 s VAL 117 CO -0.04 0.22 0.76 -0.89 0.00 0.00 0.00 175.10 175.15 2wc3 s THR 118 N 1.57 4.84 0.11 3.92 2.01 0.88 -1.22 115.64 127.75 2wc3 s THR 118 Ca 0.16 1.22 -0.15 0.00 0.31 0.00 0.00 61.69 63.23 2wc3 s THR 118 Cb -0.15 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 2wc3 s THR 118 CO 0.08 -0.17 1.52 0.40 -0.69 0.00 0.00 174.62 175.76 2wc3 h ILE 119 N 5.54 1.28 -3.20 1.82 2.04 -0.85 -2.22 117.51 121.91 2wc3 h ILE 119 Ca -0.25 -1.13 -0.54 0.00 1.00 0.00 0.00 64.86 63.95 2wc3 h ILE 119 Cb 1.10 1.29 -0.40 0.00 -0.74 0.00 0.00 36.82 38.07 2wc3 h ILE 119 CO 0.86 0.37 -0.76 -0.47 0.00 0.00 0.00 178.15 178.15 2wc3 s TYR 120 N -4.81 1.18 -0.47 1.37 5.04 -0.77 -4.38 117.35 114.52 2wc3 s TYR 120 Ca -0.13 -1.12 0.05 0.00 -2.44 0.00 0.00 57.07 53.43 2wc3 s TYR 120 Cb 0.09 -1.21 0.40 0.00 0.35 0.00 0.00 41.96 41.59 2wc3 s TYR 120 CO 0.80 -0.71 1.07 1.58 -1.34 0.00 0.00 175.55 176.95 2wc3 n HIS 121 N 5.00 3.47 0.00 4.97 -0.00 -1.26 -1.16 115.22 126.24 2wc3 n HIS 121 Ca -0.07 -3.30 0.00 0.00 0.46 0.00 0.00 57.72 54.81 2wc3 n HIS 121 Cb 0.45 -0.18 0.00 0.00 -0.12 0.00 0.00 29.99 30.14 2wc3 n HIS 121 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 2wc3 n TRP 122 N -0.41 0.00 -2.25 1.57 8.01 -1.26 -4.82 117.44 118.27 2wc3 n TRP 122 Ca 0.36 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 56.13 2wc3 n TRP 122 Cb 0.61 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.91 2wc3 n TRP 122 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 2wc3 n ASP 123 N 0.00 5.45 -4.77 -0.99 5.75 -1.26 -4.73 116.55 115.99 2wc3 n ASP 123 Ca 0.00 -3.10 -0.41 0.00 -0.01 0.00 0.00 54.79 51.27 2wc3 n ASP 123 Cb 0.00 -1.47 -0.02 0.00 -1.03 0.00 0.00 41.12 38.60 2wc3 n ASP 123 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2wc3 s LEU 124 N -0.31 4.40 0.22 -2.12 2.96 -1.26 -4.35 118.68 118.22 2wc3 s LEU 124 Ca 0.42 2.76 -0.32 0.00 -0.22 0.00 0.00 54.13 56.77 2wc3 s LEU 124 Cb 0.11 -3.66 -0.13 0.00 0.50 0.00 0.00 46.19 43.00 2wc3 s LEU 124 CO -0.01 -0.61 1.51 -2.65 -1.32 0.00 0.00 176.35 173.26 2wc3 n PRO 125 N 0.70 2.23 0.04 0.98 -0.02 -1.26 -0.54 135.00 137.13 2wc3 n PRO 125 Ca 0.00 0.80 0.03 0.00 -2.02 0.00 0.00 63.50 62.31 2wc3 n PRO 125 Cb 0.41 -2.52 0.40 0.00 -0.02 0.00 0.00 33.50 31.78 2wc3 n PRO 125 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2wc3 h PHE 126 N 4.97 0.43 -0.05 6.00 3.57 -1.12 -1.08 116.94 129.66 2wc3 h PHE 126 Ca -0.45 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.05 2wc3 h PHE 126 Cb 1.26 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 2wc3 h PHE 126 CO 0.59 0.36 0.05 0.00 -2.23 0.00 0.00 178.31 177.08 2wc3 h ALA 127 N 1.68 1.65 0.00 2.41 0.00 -1.85 -1.80 119.26 121.35 2wc3 h ALA 127 Ca 0.11 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.79 2wc3 h ALA 127 Cb 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2wc3 h ALA 127 CO -0.01 -0.07 -1.39 -0.07 0.00 0.00 0.00 179.25 177.70 2wc3 h LEU 128 N 0.00 0.00 -1.26 0.00 3.38 -1.46 -3.29 115.31 112.69 2wc3 h LEU 128 Ca 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2wc3 h LEU 128 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2wc3 h LEU 128 CO -0.00 0.84 -0.11 -0.61 0.09 0.00 0.00 178.44 178.65 2wc3 h GLN 129 N 0.00 0.37 0.00 1.13 5.75 -1.10 0.68 115.11 121.94 2wc3 h GLN 129 Ca -0.18 -0.09 -0.03 0.00 -0.15 0.00 0.00 58.65 58.20 2wc3 h GLN 129 Cb 1.80 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 30.29 2wc3 h GLN 129 CO 0.08 0.49 -0.15 -0.07 -2.65 0.00 0.00 178.83 176.53 2wc3 h LEU 130 N 0.35 0.00 -2.56 -2.39 3.38 -1.46 -0.28 115.31 112.35 2wc3 h LEU 130 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2wc3 h LEU 130 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2wc3 h LEU 130 CO 0.02 0.15 0.00 0.29 0.09 0.00 0.00 178.44 178.99 2wc3 n LYS 131 N -3.87 3.19 0.00 1.13 5.02 -0.77 -4.92 118.16 117.93 2wc3 n LYS 131 Ca -0.02 -2.27 0.00 0.00 -2.02 0.00 0.00 58.31 54.00 2wc3 n LYS 131 Cb 0.25 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 2wc3 n LYS 131 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wc3 n GLY 132 N 0.96 1.54 7.00 0.72 0.00 -0.12 -4.73 105.19 110.57 2wc3 n GLY 132 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2wc3 n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wc3 n GLY 133 N -1.46 3.07 0.00 -0.02 0.00 0.16 -1.53 105.19 105.41 2wc3 n GLY 133 Ca 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 46.02 45.72 2wc3 n GLY 133 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wc3 n TRP 134 N 14.00 0.00 0.23 1.61 7.02 -1.26 -1.85 117.44 137.19 2wc3 n TRP 134 Ca 0.00 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.61 2wc3 n TRP 134 Cb 0.00 -0.49 0.31 0.00 -2.42 0.00 0.00 31.31 28.71 2wc3 n TRP 134 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2wc3 h ALA 135 N 2.12 0.99 -2.75 6.99 0.00 -1.58 -3.34 119.26 121.68 2wc3 h ALA 135 Ca 0.00 -0.03 -0.63 0.00 0.00 0.00 0.00 54.91 54.25 2wc3 h ALA 135 Cb 0.06 -0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.69 2wc3 h ALA 135 CO 0.00 0.03 -0.28 1.21 0.00 0.00 0.00 179.25 180.21 2wc3 s ASN 136 N -6.08 6.21 0.54 0.00 3.84 -0.77 -4.86 114.94 113.82 2wc3 s ASN 136 Ca 0.05 0.22 0.29 0.00 0.21 0.00 0.00 52.86 53.63 2wc3 s ASN 136 Cb 0.06 -2.20 1.45 0.00 -0.55 0.00 0.00 41.25 40.02 2wc3 s ASN 136 CO 0.64 -0.17 1.93 0.03 -2.79 0.00 0.00 177.10 176.74 2wc3 h ARG 137 N 8.22 0.00 0.00 0.43 3.08 -1.87 0.10 114.38 124.34 2wc3 h ARG 137 Ca -0.32 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.73 2wc3 h ARG 137 Cb 1.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 2wc3 h ARG 137 CO 0.63 0.00 -0.01 0.93 -1.07 0.00 0.00 179.97 180.45 2wc3 h GLU 138 N 0.00 0.00 -0.58 0.04 5.08 -1.94 -2.79 114.58 114.39 2wc3 h GLU 138 Ca 0.34 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.86 2wc3 h GLU 138 Cb 1.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 2wc3 h GLU 138 CO -0.00 0.01 0.52 0.97 -1.00 0.00 0.00 179.01 179.51 2wc3 h ILE 139 N 0.00 0.45 -0.22 3.13 2.10 -1.05 -0.18 117.51 121.74 2wc3 h ILE 139 Ca -0.00 0.00 -0.05 0.00 1.08 0.00 0.00 64.86 65.89 2wc3 h ILE 139 Cb 0.09 0.61 -0.01 0.00 -1.09 0.00 0.00 36.82 36.41 2wc3 h ILE 139 CO 0.00 0.00 -0.10 0.00 -1.08 0.00 0.00 178.15 176.97 2wc3 h ALA 140 N 1.51 1.43 -0.06 0.18 0.00 -1.72 0.11 119.26 120.72 2wc3 h ALA 140 Ca 0.28 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2wc3 h ALA 140 Cb 1.32 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2wc3 h ALA 140 CO -0.00 0.40 -0.10 -0.44 0.00 0.00 0.00 179.25 179.10 2wc3 h ASP 141 N 0.33 0.19 -0.62 0.00 3.45 -1.27 -2.30 116.42 116.18 2wc3 h ASP 141 Ca 0.07 -0.56 -0.00 0.00 0.43 0.00 0.00 57.03 56.97 2wc3 h ASP 141 Cb 0.38 -0.05 -0.03 0.00 -0.56 0.00 0.00 39.33 39.07 2wc3 h ASP 141 CO 0.02 0.71 0.37 -0.50 -1.57 0.00 0.00 179.24 178.27 2wc3 h TRP 142 N -0.33 0.83 -0.10 4.55 6.55 -1.04 -1.14 115.95 125.27 2wc3 h TRP 142 Ca 0.00 -0.01 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 2wc3 h TRP 142 Cb 0.67 -0.27 -0.00 0.00 -0.86 0.00 0.00 29.16 28.70 2wc3 h TRP 142 CO 0.11 0.57 0.02 0.35 -1.05 0.00 0.00 178.44 178.44 2wc3 h PHE 143 N 0.85 0.17 -0.77 0.49 3.57 -0.85 -0.91 116.94 119.49 2wc3 h PHE 143 Ca 0.22 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.83 2wc3 h PHE 143 Cb -0.01 -0.05 -0.09 0.00 2.79 0.00 0.00 35.95 38.59 2wc3 h PHE 143 CO -0.02 0.36 0.36 0.00 -2.23 0.00 0.00 178.31 176.78 2wc3 h ALA 144 N 0.80 1.11 -0.43 2.41 0.00 -1.30 0.29 119.26 122.14 2wc3 h ALA 144 Ca 0.03 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2wc3 h ALA 144 Cb 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2wc3 h ALA 144 CO 0.00 -0.11 -0.07 1.49 0.00 0.00 0.00 179.25 180.56 2wc3 h GLU 145 N 0.56 0.80 0.06 0.00 4.81 -1.01 -0.37 114.58 119.42 2wc3 h GLU 145 Ca 0.41 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2wc3 h GLU 145 Cb 0.55 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2wc3 h GLU 145 CO -0.35 0.91 -0.03 -0.92 -0.73 0.00 0.00 179.01 177.89 2wc3 h TYR 146 N 0.63 -0.07 -0.38 0.92 3.20 -0.81 -2.54 116.97 117.92 2wc3 h TYR 146 Ca 0.11 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.04 2wc3 h TYR 146 Cb 0.59 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.83 2wc3 h TYR 146 CO 0.05 -0.04 0.07 0.77 -1.64 0.00 0.00 178.16 177.37 2wc3 h SER 147 N -0.09 -0.01 -0.44 -2.11 0.02 -0.31 -2.55 113.55 108.06 2wc3 h SER 147 Ca -0.01 0.07 0.09 0.00 -0.84 0.00 0.00 61.79 61.10 2wc3 h SER 147 Cb 0.07 0.09 -0.10 0.00 0.14 0.00 0.00 62.40 62.61 2wc3 h SER 147 CO 0.01 0.03 -0.26 -0.09 -1.14 0.00 0.00 176.83 175.38 2wc3 h ARG 148 N 0.19 -0.16 -0.76 3.45 2.43 -0.97 0.11 114.38 118.66 2wc3 h ARG 148 Ca 0.18 0.01 0.17 0.00 -0.81 0.00 0.00 59.98 59.53 2wc3 h ARG 148 Cb 0.22 0.04 -0.11 0.00 -0.42 0.00 0.00 29.97 29.70 2wc3 h ARG 148 CO -0.25 -0.11 0.20 0.28 -1.51 0.00 0.00 179.97 178.58 2wc3 h VAL 149 N -0.17 0.50 -0.30 0.20 2.07 -1.08 0.64 116.25 118.11 2wc3 h VAL 149 Ca 0.20 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.54 2wc3 h VAL 149 Cb 0.49 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2wc3 h VAL 149 CO -0.54 0.05 -0.13 -0.07 0.02 0.00 0.00 177.57 176.90 2wc3 h LEU 150 N 0.28 0.64 -0.59 2.57 3.38 -0.61 -1.85 115.31 119.12 2wc3 h LEU 150 Ca 0.44 -0.40 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2wc3 h LEU 150 Cb 0.76 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2wc3 h LEU 150 CO -0.52 0.89 -0.09 -0.26 0.09 0.00 0.00 178.44 178.55 2wc3 h PHE 151 N 0.38 1.15 -0.20 1.13 0.04 -0.09 0.69 116.94 120.02 2wc3 h PHE 151 Ca 0.07 -0.23 -0.15 0.00 2.80 0.00 0.00 57.97 60.46 2wc3 h PHE 151 Cb 0.65 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 2wc3 h PHE 151 CO 0.06 1.05 -0.49 0.93 -0.60 0.00 0.00 178.31 179.26 2wc3 h GLU 152 N 0.92 0.54 0.00 1.51 5.08 -0.90 0.37 114.58 122.09 2wc3 h GLU 152 Ca 0.15 -0.31 -0.16 0.00 -1.00 0.00 0.00 59.36 58.04 2wc3 h GLU 152 Cb 0.66 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 2wc3 h GLU 152 CO 0.05 0.91 -1.14 -0.91 -1.00 0.00 0.00 179.01 176.92 2wc3 h ASN 153 N 0.42 0.00 0.00 1.42 2.35 -1.23 -3.41 115.58 115.13 2wc3 h ASN 153 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2wc3 h ASN 153 Cb 1.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.38 2wc3 h ASN 153 CO 0.09 0.59 -0.75 0.49 -1.65 0.00 0.00 177.43 176.21 2wc3 n PHE 154 N -3.02 0.00 0.34 1.19 3.72 0.22 -4.77 117.46 115.14 2wc3 n PHE 154 Ca -0.06 0.00 0.22 0.00 -0.05 0.00 0.00 57.45 57.56 2wc3 n PHE 154 Cb 0.82 0.00 1.16 0.00 -0.94 0.00 0.00 39.48 40.52 2wc3 n PHE 154 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2wc3 h GLY 155 N 0.00 0.00 2.00 1.37 0.00 -0.94 0.59 103.07 106.09 2wc3 h GLY 155 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 2wc3 h GLY 155 CO 0.00 0.00 -0.38 1.29 0.00 0.00 0.00 176.54 177.45 2wc3 h ASP 156 N 0.00 0.00 0.00 0.19 2.03 -1.86 -3.34 116.42 113.44 2wc3 h ASP 156 Ca 0.00 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.14 2wc3 h ASP 156 Cb 0.09 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.55 2wc3 h ASP 156 CO -0.00 0.38 -1.62 0.54 -1.03 0.00 0.00 179.24 177.50 2wc3 n ARG 157 N -3.41 2.48 -3.53 4.15 1.74 -0.55 -4.99 116.66 112.55 2wc3 n ARG 157 Ca 0.00 -0.01 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 2wc3 n ARG 157 Cb 0.56 -1.23 -0.08 0.00 -1.02 0.00 0.00 32.46 30.68 2wc3 n ARG 157 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2wc3 s VAL 158 N -2.23 5.29 0.00 1.55 1.01 0.09 -4.93 120.40 121.19 2wc3 s VAL 158 Ca -0.04 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2wc3 s VAL 158 Cb 0.03 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.79 2wc3 s VAL 158 CO 0.37 0.33 0.00 0.29 0.00 0.00 0.00 175.10 176.09 2wc3 n LYS 159 N 4.11 4.92 -3.96 2.72 4.76 -1.26 -4.46 118.16 124.98 2wc3 n LYS 159 Ca -0.12 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 54.98 2wc3 n LYS 159 Cb 0.52 -0.62 -0.14 0.00 -1.84 0.00 0.00 35.03 32.94 2wc3 n LYS 159 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2wc3 s ASN 160 N -1.22 4.09 0.10 4.39 0.01 -1.26 0.25 114.94 121.30 2wc3 s ASN 160 Ca 0.00 -0.63 0.06 0.00 -0.71 0.00 0.00 52.86 51.58 2wc3 s ASN 160 Cb 0.00 -1.66 -0.03 0.00 0.41 0.00 0.00 41.25 39.96 2wc3 s ASN 160 CO 0.00 -0.06 -0.15 0.26 -1.51 0.00 0.00 177.10 175.64 2wc3 s TRP 161 N 1.39 1.39 -0.09 2.20 0.52 0.00 -1.60 118.94 122.75 2wc3 s TRP 161 Ca 0.03 -0.50 0.00 0.00 0.02 0.00 0.00 56.10 55.66 2wc3 s TRP 161 Cb -0.15 -0.75 0.02 0.00 -1.15 0.00 0.00 33.47 31.44 2wc3 s TRP 161 CO -0.05 0.12 -0.07 0.42 0.02 0.00 0.00 176.95 177.39 2wc3 s ILE 162 N -1.68 0.91 -0.00 2.03 1.01 -0.36 -0.81 121.20 122.31 2wc3 s ILE 162 Ca 0.05 -0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.30 2wc3 s ILE 162 Cb -0.08 -0.92 -0.07 0.00 0.01 0.00 0.00 42.46 41.40 2wc3 s ILE 162 CO 0.03 0.33 0.80 0.71 0.00 0.00 0.00 174.94 176.81 2wc3 h THR 163 N 6.15 0.00 -4.29 2.92 1.35 -1.53 0.10 112.91 117.61 2wc3 h THR 163 Ca -0.30 -0.23 -0.62 0.00 -0.55 0.00 0.00 66.41 64.71 2wc3 h THR 163 Cb 1.15 0.00 -0.30 0.00 -1.73 0.00 0.00 68.15 67.26 2wc3 h THR 163 CO 0.41 0.00 -0.86 -0.76 -0.25 0.00 0.00 175.52 174.06 2wc3 s LEU 164 N -7.13 2.02 -0.25 3.87 1.43 -1.26 -1.84 118.68 115.51 2wc3 s LEU 164 Ca -0.07 -0.40 -0.18 0.00 -1.03 0.00 0.00 54.13 52.45 2wc3 s LEU 164 Cb 0.01 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 45.07 2wc3 s LEU 164 CO 0.21 0.24 0.50 0.21 0.23 0.00 0.00 176.35 177.74 2wc3 s ASN 165 N -0.36 6.43 -0.84 2.29 2.47 -0.31 -2.10 114.94 122.52 2wc3 s ASN 165 Ca 0.04 0.51 -0.03 0.00 0.42 0.00 0.00 52.86 53.81 2wc3 s ASN 165 Cb -0.10 -2.27 0.00 0.00 -1.45 0.00 0.00 41.25 37.43 2wc3 s ASN 165 CO 0.00 -0.26 0.64 -0.62 -3.72 0.00 0.00 177.10 173.15 2wc3 n GLU 166 N 5.39 -1.41 0.28 0.43 1.02 0.44 -4.76 120.64 122.03 2wc3 n GLU 166 Ca -0.05 0.87 0.15 0.00 -0.02 0.00 0.00 57.16 58.11 2wc3 n GLU 166 Cb 0.50 -3.14 0.82 0.00 -0.02 0.00 0.00 31.44 29.59 2wc3 n GLU 166 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2wc3 h PRO 167 N -0.32 0.00 -0.74 3.49 0.13 -1.84 -0.80 132.00 131.92 2wc3 h PRO 167 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 2wc3 h PRO 167 Cb 1.31 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 2wc3 h PRO 167 CO 0.37 0.07 0.37 2.35 -0.23 0.00 0.00 178.00 180.93 2wc3 h TRP 168 N 0.00 1.04 -0.07 1.56 7.01 -1.92 -1.49 115.95 122.08 2wc3 h TRP 168 Ca -0.00 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 2wc3 h TRP 168 Cb 0.24 -0.33 -0.00 0.00 -2.10 0.00 0.00 29.16 26.97 2wc3 h TRP 168 CO 0.00 0.74 -0.05 0.28 -2.79 0.00 0.00 178.44 176.62 2wc3 h VAL 169 N 1.04 1.35 -0.40 2.65 2.07 -1.50 0.15 116.25 121.62 2wc3 h VAL 169 Ca 0.26 -1.16 0.08 0.00 0.82 0.00 0.00 66.70 66.71 2wc3 h VAL 169 Cb 0.08 1.98 -0.09 0.00 -1.52 0.00 0.00 31.29 31.75 2wc3 h VAL 169 CO -0.04 0.32 -0.21 0.58 0.02 0.00 0.00 177.57 178.24 2wc3 h VAL 170 N -0.26 0.40 0.38 2.57 2.07 -1.34 0.23 116.25 120.29 2wc3 h VAL 170 Ca 0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 2wc3 h VAL 170 Cb 0.54 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2wc3 h VAL 170 CO 0.01 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 177.42 2wc3 h ALA 171 N 1.12 -0.80 -0.00 1.67 0.00 -1.24 -2.77 119.26 117.24 2wc3 h ALA 171 Ca 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2wc3 h ALA 171 Cb 0.44 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2wc3 h ALA 171 CO -0.49 -0.76 -0.06 0.82 0.00 0.00 0.00 179.25 178.75 2wc3 h ILE 172 N -0.70 1.59 0.00 0.00 1.08 -0.66 0.27 117.51 119.09 2wc3 h ILE 172 Ca -0.05 -1.81 -0.12 0.00 -0.39 0.00 0.00 64.86 62.49 2wc3 h ILE 172 Cb 0.39 2.79 -0.02 0.00 -3.07 0.00 0.00 36.82 36.91 2wc3 h ILE 172 CO 0.09 0.48 -0.56 0.58 -0.69 0.00 0.00 178.15 178.05 2wc3 h VAL 173 N -0.68 1.24 0.00 1.67 2.07 -0.66 0.13 116.25 120.02 2wc3 h VAL 173 Ca -0.01 -2.01 -0.19 0.00 0.82 0.00 0.00 66.70 65.31 2wc3 h VAL 173 Cb 0.82 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 2wc3 h VAL 173 CO 0.01 0.54 -1.15 1.23 0.02 0.00 0.00 177.57 178.23 2wc3 h GLY 174 N 2.10 0.00 0.00 2.17 0.00 -1.09 -2.37 103.07 103.87 2wc3 h GLY 174 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2wc3 h GLY 174 CO 0.07 0.00 -0.78 1.42 0.00 0.00 0.00 176.54 177.25 2wc3 n HIS 175 N -3.13 0.00 -0.11 5.60 8.25 0.08 -1.61 115.22 124.30 2wc3 n HIS 175 Ca -0.06 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.17 2wc3 n HIS 175 Cb 0.89 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.92 2wc3 n HIS 175 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2wc3 n LEU 176 N -1.18 1.67 0.14 2.41 7.94 -0.11 -1.05 117.00 126.82 2wc3 n LEU 176 Ca 0.00 0.25 0.02 0.00 -1.11 0.00 0.00 56.01 55.17 2wc3 n LEU 176 Cb 0.00 -0.66 0.05 0.00 0.53 0.00 0.00 43.42 43.33 2wc3 n LEU 176 CO 0.00 0.49 0.48 1.88 -1.11 0.00 0.00 177.39 179.13 2wc3 h TYR 177 N -0.75 0.00 -0.28 1.96 0.05 -1.27 -3.38 116.97 113.31 2wc3 h TYR 177 Ca -0.56 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.10 2wc3 h TYR 177 Cb 1.51 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 39.21 2wc3 h TYR 177 CO -0.07 0.51 -0.11 0.41 -1.05 0.00 0.00 178.16 177.86 2wc3 n GLY 178 N 1.15 0.76 0.10 3.88 0.00 -0.28 -4.86 105.19 105.94 2wc3 n GLY 178 Ca 0.02 -0.27 0.01 0.00 0.00 0.00 0.00 46.02 45.78 2wc3 n GLY 178 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2wc3 h VAL 179 N 0.00 0.55 -2.10 1.61 2.07 -1.75 -3.41 116.25 113.23 2wc3 h VAL 179 Ca -0.12 -2.00 -0.56 0.00 0.82 0.00 0.00 66.70 64.84 2wc3 h VAL 179 Cb 0.63 2.09 -0.10 0.00 -1.52 0.00 0.00 31.29 32.40 2wc3 h VAL 179 CO 0.17 0.32 -0.63 -1.00 0.02 0.00 0.00 177.57 176.45 2wc3 s HIS 180 N -2.95 2.65 0.46 1.57 3.76 -0.93 -4.72 115.29 115.13 2wc3 s HIS 180 Ca -0.01 -0.29 -0.24 0.00 -0.15 0.00 0.00 55.06 54.36 2wc3 s HIS 180 Cb 0.09 -1.31 -0.08 0.00 1.11 0.00 0.00 32.58 32.38 2wc3 s HIS 180 CO 0.80 0.55 1.24 0.00 -0.85 0.00 0.00 174.74 176.48 2wc3 n ALA 181 N -0.93 1.16 1.59 -1.40 0.00 -1.26 -0.77 120.51 118.90 2wc3 n ALA 181 Ca -0.05 0.21 0.09 0.00 0.00 0.00 0.00 53.44 53.69 2wc3 n ALA 181 Cb 0.60 -2.25 0.41 0.00 0.00 0.00 0.00 19.45 18.21 2wc3 n ALA 181 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wc3 n PRO 182 N -0.25 1.37 -1.96 0.00 -0.04 -1.25 -4.57 135.00 128.29 2wc3 n PRO 182 Ca 0.08 -0.56 0.00 0.00 -0.04 0.00 0.00 63.50 62.98 2wc3 n PRO 182 Cb 0.41 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 2wc3 n PRO 182 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wc3 n GLY 183 N 0.94 0.95 3.77 0.55 0.00 0.05 -5.01 105.19 106.44 2wc3 n GLY 183 Ca 0.14 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 2wc3 n GLY 183 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wc3 s MET 184 N -3.94 2.77 -0.51 1.61 -1.94 -0.63 -4.73 119.30 111.92 2wc3 s MET 184 Ca 0.00 -0.96 0.05 0.00 -1.71 0.00 0.00 55.69 53.07 2wc3 s MET 184 Cb 0.00 -2.56 0.18 0.00 2.01 0.00 0.00 34.83 34.47 2wc3 s MET 184 CO 0.00 0.46 0.43 0.54 -0.01 0.00 0.00 175.02 176.44 2wc3 n ARG 185 N -0.41 0.89 -3.58 2.03 1.74 -1.13 -1.13 116.66 115.07 2wc3 n ARG 185 Ca -0.08 -3.68 -0.12 0.00 -0.77 0.00 0.00 57.85 53.20 2wc3 n ARG 185 Cb 0.55 -1.85 -0.11 0.00 -1.02 0.00 0.00 32.46 30.03 2wc3 n ARG 185 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2wc3 s ASP 186 N -0.69 0.30 0.32 0.55 -1.08 -0.22 -4.96 116.67 110.90 2wc3 s ASP 186 Ca 0.31 0.53 0.17 0.00 -0.52 0.00 0.00 52.55 53.04 2wc3 s ASP 186 Cb 0.03 0.91 0.40 0.00 -1.46 0.00 0.00 42.92 42.80 2wc3 s ASP 186 CO -0.17 -0.26 1.60 -0.29 0.52 0.00 0.00 175.17 176.57 2wc3 h ILE 187 N 6.24 0.92 -0.04 4.11 2.10 -1.92 -0.50 117.51 128.43 2wc3 h ILE 187 Ca -0.16 -1.90 -0.23 0.00 1.08 0.00 0.00 64.86 63.65 2wc3 h ILE 187 Cb 1.12 2.17 0.01 0.00 -1.09 0.00 0.00 36.82 39.04 2wc3 h ILE 187 CO 0.17 0.45 -0.92 1.88 -1.08 0.00 0.00 178.15 178.65 2wc3 h TYR 188 N 0.00 0.81 -0.34 2.19 -1.99 -1.95 -2.72 116.97 112.97 2wc3 h TYR 188 Ca -0.00 -0.42 -0.12 0.00 2.00 0.00 0.00 58.73 60.19 2wc3 h TYR 188 Cb 1.14 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.75 2wc3 h TYR 188 CO 0.00 1.24 -0.28 0.28 -0.00 0.00 0.00 178.16 179.40 2wc3 h VAL 189 N 0.34 1.28 -0.34 -2.88 2.07 -1.79 -2.23 116.25 112.70 2wc3 h VAL 189 Ca -0.08 -1.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 2wc3 h VAL 189 Cb 1.55 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 2wc3 h VAL 189 CO 0.17 0.46 0.10 0.00 0.02 0.00 0.00 177.57 178.32 2wc3 h ALA 190 N 1.08 0.44 0.00 1.67 0.00 -0.99 0.87 119.26 122.33 2wc3 h ALA 190 Ca 0.08 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2wc3 h ALA 190 Cb 0.78 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2wc3 h ALA 190 CO 0.06 0.09 -0.35 0.74 0.00 0.00 0.00 179.25 179.79 2wc3 h PHE 191 N 0.39 0.00 0.00 0.00 0.04 -1.49 -1.29 116.94 114.59 2wc3 h PHE 191 Ca 0.11 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.79 2wc3 h PHE 191 Cb 0.26 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 2wc3 h PHE 191 CO 0.01 0.35 -0.41 0.00 -0.60 0.00 0.00 178.31 177.65 2wc3 h ARG 192 N 0.00 0.00 -0.23 1.51 3.08 -0.82 -2.14 114.38 115.78 2wc3 h ARG 192 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2wc3 h ARG 192 Cb 0.78 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 2wc3 h ARG 192 CO 0.05 0.41 0.05 0.00 -1.07 0.00 0.00 179.97 179.40 2wc3 h ALA 193 N 1.59 0.30 -0.45 0.04 0.00 0.03 0.19 119.26 120.96 2wc3 h ALA 193 Ca -0.00 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.81 2wc3 h ALA 193 Cb 0.78 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 2wc3 h ALA 193 CO 0.05 -0.03 0.10 0.28 0.00 0.00 0.00 179.25 179.66 2wc3 h VAL 194 N 0.19 0.77 -0.34 0.00 2.07 -1.10 0.85 116.25 118.70 2wc3 h VAL 194 Ca 0.07 -0.08 -0.14 0.00 0.82 0.00 0.00 66.70 67.37 2wc3 h VAL 194 Cb 0.30 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2wc3 h VAL 194 CO 0.00 0.04 -0.34 -0.74 0.02 0.00 0.00 177.57 176.56 2wc3 h HIS 195 N 0.24 0.99 -0.12 1.57 6.17 -1.25 -2.35 115.15 120.41 2wc3 h HIS 195 Ca 0.22 -0.30 -0.06 0.00 0.71 0.00 0.00 60.37 60.94 2wc3 h HIS 195 Cb 0.27 -0.21 -0.01 0.00 2.52 0.00 0.00 27.41 29.98 2wc3 h HIS 195 CO -0.20 1.09 -0.22 -0.91 0.71 0.00 0.00 177.93 178.39 2wc3 h ASN 196 N 0.60 0.19 -0.33 3.26 2.35 -0.37 -1.71 115.58 119.58 2wc3 h ASN 196 Ca 0.05 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2wc3 h ASN 196 Cb 0.92 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 2wc3 h ASN 196 CO 0.08 0.43 0.08 -0.07 -1.65 0.00 0.00 177.43 176.30 2wc3 h LEU 197 N 0.18 0.50 -0.43 1.61 3.38 -0.63 0.19 115.31 120.12 2wc3 h LEU 197 Ca 0.03 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2wc3 h LEU 197 Cb 0.50 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2wc3 h LEU 197 CO 0.03 0.59 0.27 -0.07 0.09 0.00 0.00 178.44 179.36 2wc3 h LEU 198 N 0.37 0.50 -0.76 1.67 3.38 -1.17 -0.42 115.31 118.88 2wc3 h LEU 198 Ca 0.10 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2wc3 h LEU 198 Cb 0.29 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2wc3 h LEU 198 CO 0.00 0.38 0.13 0.03 0.09 0.00 0.00 178.44 179.07 2wc3 h ARG 199 N 0.57 1.07 -0.35 1.13 3.08 -1.08 -1.57 114.38 117.23 2wc3 h ARG 199 Ca 0.15 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 2wc3 h ARG 199 Cb -0.04 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 2wc3 h ARG 199 CO -0.03 0.97 0.03 0.00 -1.07 0.00 0.00 179.97 179.86 2wc3 h ALA 200 N 1.12 0.47 -0.41 0.04 0.00 -0.71 -0.74 119.26 119.03 2wc3 h ALA 200 Ca 0.21 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2wc3 h ALA 200 Cb 0.40 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2wc3 h ALA 200 CO 0.01 0.21 0.15 1.25 0.00 0.00 0.00 179.25 180.87 2wc3 h HIS 201 N 0.43 0.28 -0.25 0.00 -0.00 -0.93 -0.70 115.15 113.97 2wc3 h HIS 201 Ca 0.10 0.02 -0.13 0.00 -0.00 0.00 0.00 60.37 60.37 2wc3 h HIS 201 Cb 0.41 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.75 2wc3 h HIS 201 CO 0.03 0.11 -0.37 0.00 -0.00 0.00 0.00 177.93 177.70 2wc3 h ALA 202 N 1.26 0.88 -0.38 5.26 0.00 -1.12 -1.12 119.26 124.04 2wc3 h ALA 202 Ca 0.19 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 2wc3 h ALA 202 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2wc3 h ALA 202 CO -0.18 0.63 -0.33 -0.09 0.00 0.00 0.00 179.25 179.29 2wc3 h ARG 203 N 0.48 0.85 -0.58 0.00 2.43 -0.87 -1.65 114.38 115.04 2wc3 h ARG 203 Ca 0.05 -0.41 -0.04 0.00 -0.81 0.00 0.00 59.98 58.77 2wc3 h ARG 203 Cb 0.87 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 2wc3 h ARG 203 CO 0.07 1.05 0.19 0.00 -1.51 0.00 0.00 179.97 179.78 2wc3 h ALA 204 N 0.91 1.24 -0.55 2.80 0.00 -0.52 -1.36 119.26 121.78 2wc3 h ALA 204 Ca 0.07 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2wc3 h ALA 204 Cb 0.89 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2wc3 h ALA 204 CO 0.08 0.54 0.10 0.28 0.00 0.00 0.00 179.25 180.25 2wc3 h VAL 205 N 0.85 1.25 -0.56 0.00 2.07 -1.00 -0.98 116.25 117.88 2wc3 h VAL 205 Ca 0.19 -0.94 0.08 0.00 0.82 0.00 0.00 66.70 66.85 2wc3 h VAL 205 Cb 0.23 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 2wc3 h VAL 205 CO -0.01 0.34 0.21 0.50 0.02 0.00 0.00 177.57 178.63 2wc3 h LYS 206 N 0.79 0.39 -0.17 1.57 3.64 -0.83 0.88 116.57 122.83 2wc3 h LYS 206 Ca 0.17 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 2wc3 h LYS 206 Cb 0.39 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2wc3 h LYS 206 CO 0.01 0.26 -0.29 0.28 -2.27 0.00 0.00 179.45 177.44 2wc3 h VAL 207 N 0.40 1.26 0.18 2.00 2.07 -1.14 -3.10 116.25 117.93 2wc3 h VAL 207 Ca 0.27 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 2wc3 h VAL 207 Cb 0.30 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2wc3 h VAL 207 CO -0.27 0.39 -0.08 0.15 0.02 0.00 0.00 177.57 177.77 2wc3 h PHE 208 N 0.29 -0.22 -0.98 1.57 3.57 -0.18 -2.29 116.94 118.69 2wc3 h PHE 208 Ca 0.04 -0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.77 2wc3 h PHE 208 Cb 0.66 0.07 -0.08 0.00 2.79 0.00 0.00 35.95 39.39 2wc3 h PHE 208 CO 0.01 -0.03 0.64 0.00 -2.23 0.00 0.00 178.31 176.70 2wc3 h ARG 209 N -0.37 0.39 0.00 1.11 2.47 -0.86 0.90 114.38 118.03 2wc3 h ARG 209 Ca -0.02 -0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 58.61 2wc3 h ARG 209 Cb 0.29 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 2wc3 h ARG 209 CO 0.04 0.26 -0.32 0.93 0.56 0.00 0.00 179.97 181.44 2wc3 h GLU 210 N 0.41 0.00 0.00 0.04 5.08 -1.35 -3.40 114.58 115.35 2wc3 h GLU 210 Ca 0.53 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.73 2wc3 h GLU 210 Cb 1.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 2wc3 h GLU 210 CO -0.23 0.32 -1.55 0.25 -1.00 0.00 0.00 179.01 176.80 2wc3 n THR 211 N -3.29 0.54 -3.68 1.13 -2.24 0.11 -4.89 114.28 101.95 2wc3 n THR 211 Ca 0.01 -0.15 -0.38 0.00 -2.27 0.00 0.00 64.05 61.26 2wc3 n THR 211 Cb 0.57 -1.45 -0.10 0.00 -2.10 0.00 0.00 70.33 67.25 2wc3 n THR 211 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wc3 s VAL 212 N -2.18 3.74 -0.40 2.28 1.01 -0.08 -4.94 120.40 119.83 2wc3 s VAL 212 Ca -0.13 -2.24 0.23 0.00 0.00 0.00 0.00 61.98 59.83 2wc3 s VAL 212 Cb 0.05 -3.49 0.21 0.00 0.00 0.00 0.00 36.38 33.15 2wc3 s VAL 212 CO 0.18 -0.78 1.43 0.11 0.00 0.00 0.00 175.10 176.04 2wc3 h LYS 213 N 7.88 0.00 -0.38 2.72 1.79 -1.82 -3.21 116.57 123.55 2wc3 h LYS 213 Ca -0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2wc3 h LYS 213 Cb 1.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 2wc3 h LYS 213 CO 0.75 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.72 2wc3 n ASP 214 N -2.86 4.46 -4.95 0.86 5.75 -1.26 -5.02 116.55 113.53 2wc3 n ASP 214 Ca 0.03 -2.93 -0.20 0.00 -0.01 0.00 0.00 54.79 51.68 2wc3 n ASP 214 Cb 0.53 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 2wc3 n ASP 214 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2wc3 s GLY 215 N -1.51 2.03 -0.02 6.12 0.00 -1.21 -4.98 107.32 107.74 2wc3 s GLY 215 Ca 0.46 -1.79 0.06 0.00 0.00 0.00 0.00 44.72 43.45 2wc3 s GLY 215 CO 0.12 -1.64 -0.21 0.54 0.00 0.00 0.00 173.10 171.91 2wc3 s LYS 216 N -4.31 1.75 -0.01 2.90 1.02 0.14 -5.03 119.74 116.20 2wc3 s LYS 216 Ca 0.52 -0.74 0.01 0.00 0.02 0.00 0.00 55.97 55.78 2wc3 s LYS 216 Cb -0.06 -1.66 -0.00 0.00 -0.52 0.00 0.00 37.83 35.59 2wc3 s LYS 216 CO 0.31 0.43 -0.05 -1.50 -0.92 0.00 0.00 175.35 173.62 2wc3 s ILE 217 N -0.42 0.37 0.00 2.17 2.07 -1.26 -0.82 121.20 123.31 2wc3 s ILE 217 Ca 0.06 -0.19 0.00 0.00 -1.41 0.00 0.00 60.65 59.11 2wc3 s ILE 217 Cb -0.09 -0.32 0.00 0.00 0.13 0.00 0.00 42.46 42.18 2wc3 s ILE 217 CO -0.00 0.11 0.00 0.61 -1.91 0.00 0.00 174.94 173.75 2wc3 n GLY 218 N 3.02 3.85 3.24 1.50 0.00 0.01 -1.20 105.19 115.61 2wc3 n GLY 218 Ca -0.13 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 2wc3 n GLY 218 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2wc3 s ILE 219 N -2.05 0.04 -0.15 -0.61 2.07 -1.19 -1.39 121.20 117.92 2wc3 s ILE 219 Ca 0.00 -0.32 -0.03 0.00 -1.41 0.00 0.00 60.65 58.89 2wc3 s ILE 219 Cb 0.00 -0.58 -0.02 0.00 0.13 0.00 0.00 42.46 41.99 2wc3 s ILE 219 CO 0.00 -0.18 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.10 2wc3 s VAL 220 N -0.85 3.61 -0.03 4.00 1.01 -0.89 -0.74 120.40 126.51 2wc3 s VAL 220 Ca -0.09 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.50 2wc3 s VAL 220 Cb -0.04 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 2wc3 s VAL 220 CO 0.03 0.50 -0.25 -0.36 0.00 0.00 0.00 175.10 175.02 2wc3 s PHE 221 N 0.42 2.38 0.54 5.22 0.08 -0.59 -0.42 117.98 125.61 2wc3 s PHE 221 Ca -0.06 -0.45 -0.19 0.00 0.12 0.00 0.00 56.93 56.36 2wc3 s PHE 221 Cb -0.15 -1.53 -0.06 0.00 -0.57 0.00 0.00 43.02 40.72 2wc3 s PHE 221 CO 0.04 -0.04 1.08 0.54 -0.10 0.00 0.00 175.22 176.73 2wc3 s ASN 222 N -0.56 5.91 -0.14 1.36 4.22 -1.26 -0.87 114.94 123.61 2wc3 s ASN 222 Ca 0.08 2.00 -0.12 0.00 -2.14 0.00 0.00 52.86 52.68 2wc3 s ASN 222 Cb -0.11 -2.56 0.04 0.00 1.28 0.00 0.00 41.25 39.90 2wc3 s ASN 222 CO -0.00 -1.08 0.36 0.20 -2.04 0.00 0.00 177.10 174.54 2wc3 s ASN 223 N -2.11 -0.38 0.23 3.54 0.01 -0.95 -4.08 114.94 111.20 2wc3 s ASN 223 Ca 0.68 0.73 0.12 0.00 -0.71 0.00 0.00 52.86 53.68 2wc3 s ASN 223 Cb -0.19 0.72 -0.05 0.00 0.41 0.00 0.00 41.25 42.14 2wc3 s ASN 223 CO 0.27 -0.13 -0.22 -0.83 -1.51 0.00 0.00 177.10 174.68 2wc3 s GLY 224 N 0.37 1.78 -0.55 0.66 0.00 -1.26 -4.16 107.32 104.17 2wc3 s GLY 224 Ca -0.02 -1.74 -0.18 0.00 0.00 0.00 0.00 44.72 42.79 2wc3 s GLY 224 CO -0.01 -1.79 0.61 -0.47 0.00 0.00 0.00 173.10 171.44 2wc3 s TYR 225 N -2.00 3.09 -0.09 1.90 5.04 -0.99 -4.96 117.35 119.33 2wc3 s TYR 225 Ca 0.24 -0.93 -0.19 0.00 -2.44 0.00 0.00 57.07 53.75 2wc3 s TYR 225 Cb -0.07 -3.76 -0.04 0.00 0.35 0.00 0.00 41.96 38.44 2wc3 s TYR 225 CO 0.12 -1.12 0.52 -0.06 -1.34 0.00 0.00 175.55 173.67 2wc3 s PHE 226 N 2.32 3.55 -0.01 4.97 0.08 -1.26 -0.30 117.98 127.33 2wc3 s PHE 226 Ca 0.10 0.98 0.04 0.00 0.12 0.00 0.00 56.93 58.17 2wc3 s PHE 226 Cb -0.24 -2.58 -0.01 0.00 -0.57 0.00 0.00 43.02 39.62 2wc3 s PHE 226 CO 0.07 0.20 -0.14 -1.21 -0.10 0.00 0.00 175.22 174.04 2wc3 s GLU 227 N 0.47 1.17 0.12 0.44 2.02 0.04 -4.97 118.70 117.99 2wc3 s GLU 227 Ca 0.28 -0.50 -0.30 0.00 0.02 0.00 0.00 54.97 54.47 2wc3 s GLU 227 Cb -0.16 -1.12 -0.06 0.00 0.10 0.00 0.00 34.13 32.89 2wc3 s GLU 227 CO 0.12 0.29 1.08 -1.25 0.02 0.00 0.00 175.26 175.52 2wc3 s PRO 228 N -0.27 4.57 0.65 0.39 0.04 -1.26 0.35 135.00 139.47 2wc3 s PRO 228 Ca 0.04 1.65 0.38 0.00 0.04 0.00 0.00 61.00 63.11 2wc3 s PRO 228 Cb -0.06 -3.33 2.15 0.00 0.04 0.00 0.00 34.50 33.30 2wc3 s PRO 228 CO -0.00 0.01 2.27 0.00 0.04 0.00 0.00 177.00 179.32 2wc3 h ALA 229 N 5.76 1.23 -3.34 8.56 0.00 -0.92 -3.45 119.26 127.10 2wc3 h ALA 229 Ca -0.43 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 2wc3 h ALA 229 Cb 1.21 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2wc3 h ALA 229 CO 0.75 -0.07 0.06 -1.13 0.00 0.00 0.00 179.25 178.86 2wc3 n SER 230 N -3.29 -1.61 0.00 0.00 3.41 -1.26 -5.03 113.62 105.84 2wc3 n SER 230 Ca -0.02 -2.51 0.15 0.00 -0.26 0.00 0.00 58.87 56.22 2wc3 n SER 230 Cb 0.13 2.79 0.74 0.00 -0.26 0.00 0.00 64.21 67.62 2wc3 n SER 230 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2wc3 n GLU 231 N -0.48 0.40 -1.65 4.33 0.00 -1.26 -4.45 120.64 117.52 2wc3 n GLU 231 Ca -0.04 0.00 -0.45 0.00 0.00 0.00 0.00 57.16 56.67 2wc3 n GLU 231 Cb 0.51 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.42 2wc3 n GLU 231 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2wc3 n LYS 232 N -1.30 1.88 -0.41 5.31 5.02 -1.26 -4.78 118.16 122.62 2wc3 n LYS 232 Ca 0.14 0.67 0.37 0.00 -2.02 0.00 0.00 58.31 57.46 2wc3 n LYS 232 Cb 0.24 -2.30 0.71 0.00 -0.02 0.00 0.00 35.03 33.67 2wc3 n LYS 232 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 2wc3 h GLU 233 N 4.07 0.07 0.00 1.97 4.11 -2.00 0.12 114.58 122.93 2wc3 h GLU 233 Ca -0.45 -0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.93 2wc3 h GLU 233 Cb 1.29 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 2wc3 h GLU 233 CO 0.75 0.05 -0.82 1.05 0.07 0.00 0.00 179.01 180.11 2wc3 h GLU 234 N 0.08 0.00 0.23 1.06 9.09 -1.96 -1.94 114.58 121.13 2wc3 h GLU 234 Ca 0.67 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 59.77 2wc3 h GLU 234 Cb 2.45 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 29.58 2wc3 h GLU 234 CO -0.11 0.12 -1.38 -0.44 0.05 0.00 0.00 179.01 177.26 2wc3 h ASP 235 N 0.00 0.74 -0.20 3.06 3.32 -1.08 -0.64 116.42 121.62 2wc3 h ASP 235 Ca -0.04 -0.93 -0.06 0.00 0.02 0.00 0.00 57.03 56.03 2wc3 h ASP 235 Cb 1.17 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 2wc3 h ASP 235 CO 0.02 1.66 -0.04 0.40 -1.72 0.00 0.00 179.24 179.56 2wc3 h ILE 236 N 0.03 1.21 -0.29 0.35 1.08 -1.36 -0.97 117.51 117.55 2wc3 h ILE 236 Ca -0.25 -0.86 -0.04 0.00 -0.39 0.00 0.00 64.86 63.32 2wc3 h ILE 236 Cb 2.05 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 36.80 2wc3 h ILE 236 CO 0.24 0.29 0.02 -0.09 -0.69 0.00 0.00 178.15 177.92 2wc3 h ARG 237 N 0.49 0.50 0.17 2.37 2.43 -1.36 -1.99 114.38 116.99 2wc3 h ARG 237 Ca 0.10 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2wc3 h ARG 237 Cb 0.38 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 2wc3 h ARG 237 CO 0.02 0.63 -0.28 0.00 -1.51 0.00 0.00 179.97 178.83 2wc3 h ALA 238 N 0.85 -0.52 -0.87 2.80 0.00 -0.32 0.16 119.26 121.36 2wc3 h ALA 238 Ca 0.08 -0.06 0.20 0.00 0.00 0.00 0.00 54.91 55.14 2wc3 h ALA 238 Cb 0.39 0.44 -0.12 0.00 0.00 0.00 0.00 17.79 18.51 2wc3 h ALA 238 CO 0.01 -0.84 0.37 0.28 0.00 0.00 0.00 179.25 179.07 2wc3 h VAL 239 N -0.53 0.52 -0.65 0.00 2.07 -1.23 -0.63 116.25 115.79 2wc3 h VAL 239 Ca 0.02 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 2wc3 h VAL 239 Cb 0.53 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2wc3 h VAL 239 CO -0.13 0.08 0.13 -0.09 0.02 0.00 0.00 177.57 177.57 2wc3 h ARG 240 N 0.41 1.05 -0.13 1.57 2.43 -0.37 -1.45 114.38 117.89 2wc3 h ARG 240 Ca 0.53 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 2wc3 h ARG 240 Cb 0.95 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 2wc3 h ARG 240 CO -0.50 0.95 0.05 0.35 -1.51 0.00 0.00 179.97 179.31 2wc3 h PHE 241 N 0.99 0.20 -0.71 2.20 3.57 0.38 -1.70 116.94 121.88 2wc3 h PHE 241 Ca 0.20 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 2wc3 h PHE 241 Cb 0.39 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 2wc3 h PHE 241 CO 0.03 0.29 0.26 0.52 -2.23 0.00 0.00 178.31 177.18 2wc3 h MET 242 N 0.06 1.06 -0.36 1.11 2.86 -0.94 0.30 114.93 119.02 2wc3 h MET 242 Ca 0.05 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 2wc3 h MET 242 Cb 0.17 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2wc3 h MET 242 CO -0.00 0.87 0.15 1.25 1.06 0.00 0.00 176.91 180.24 2wc3 h HIS 243 N 1.03 0.54 -0.10 -0.22 -0.00 -1.26 0.12 115.15 115.25 2wc3 h HIS 243 Ca 0.24 -0.04 -0.13 0.00 -0.00 0.00 0.00 60.37 60.43 2wc3 h HIS 243 Cb 0.22 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 2wc3 h HIS 243 CO 0.02 0.49 -0.53 1.96 -0.00 0.00 0.00 177.93 179.87 2wc3 h GLN 244 N 0.44 0.29 0.00 5.26 4.20 -0.81 -2.66 115.11 121.82 2wc3 h GLN 244 Ca 0.12 -0.17 -0.12 0.00 0.06 0.00 0.00 58.65 58.53 2wc3 h GLN 244 Cb 0.17 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2wc3 h GLN 244 CO -0.01 0.74 -0.68 0.35 -0.67 0.00 0.00 178.83 178.56 2wc3 h PHE 245 N 0.22 0.00 0.00 2.96 3.57 -0.40 -2.72 116.94 120.57 2wc3 h PHE 245 Ca 0.01 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 2wc3 h PHE 245 Cb 1.00 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 2wc3 h PHE 245 CO 0.02 1.27 -0.85 -0.97 -2.23 0.00 0.00 178.31 175.55 2wc3 h ASN 246 N -1.00 0.00 -0.56 0.41 -0.73 -0.89 -3.43 115.58 109.39 2wc3 h ASN 246 Ca -0.19 0.00 -0.57 0.00 1.87 0.00 0.00 56.30 57.41 2wc3 h ASN 246 Cb 1.17 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.72 2wc3 h ASN 246 CO -0.11 0.20 -0.27 0.20 -0.37 0.00 0.00 177.43 177.07 2wc3 s ASN 247 N -5.76 4.68 0.58 1.15 0.01 -1.00 -4.53 114.94 110.07 2wc3 s ASN 247 Ca 0.01 -1.21 0.33 0.00 -0.71 0.00 0.00 52.86 51.28 2wc3 s ASN 247 Cb 0.08 0.44 1.34 0.00 0.41 0.00 0.00 41.25 43.52 2wc3 s ASN 247 CO 0.77 -1.15 1.61 0.10 -1.51 0.00 0.00 177.10 176.91 2wc3 h TYR 248 N 0.67 0.00 -0.59 2.20 -0.00 -1.79 -2.82 116.97 114.63 2wc3 h TYR 248 Ca -0.36 0.00 0.07 0.00 0.00 0.00 0.00 58.73 58.44 2wc3 h TYR 248 Cb 1.30 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 38.00 2wc3 h TYR 248 CO 0.93 0.00 0.39 -1.35 -0.00 0.00 0.00 178.16 178.13 2wc3 h PRO 249 N 0.00 0.52 -0.92 0.10 0.11 -1.78 0.20 132.00 130.23 2wc3 h PRO 249 Ca 0.51 -0.03 0.14 0.00 0.11 0.00 0.00 66.00 66.73 2wc3 h PRO 249 Cb 2.48 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 33.40 2wc3 h PRO 249 CO -0.01 0.34 0.59 1.25 -0.21 0.00 0.00 178.00 179.97 2wc3 h LEU 250 N 0.54 0.71 0.00 2.35 5.85 -1.21 0.55 115.31 124.09 2wc3 h LEU 250 Ca 0.26 0.05 -0.37 0.00 0.84 0.00 0.00 57.88 58.66 2wc3 h LEU 250 Cb 0.34 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 2wc3 h LEU 250 CO -0.08 0.35 -2.38 0.49 -0.34 0.00 0.00 178.44 176.48 2wc3 n PHE 251 N -4.58 0.01 0.11 1.25 3.72 -0.55 -4.33 117.46 113.09 2wc3 n PHE 251 Ca 0.18 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.39 2wc3 n PHE 251 Cb 0.46 -1.00 -0.13 0.00 -0.94 0.00 0.00 39.48 37.87 2wc3 n PHE 251 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2wc3 h LEU 252 N 0.00 0.68 -0.24 4.37 3.38 -0.22 -1.85 115.31 121.42 2wc3 h LEU 252 Ca -0.55 -0.67 0.05 0.00 0.09 0.00 0.00 57.88 56.80 2wc3 h LEU 252 Cb 2.24 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 42.73 2wc3 h LEU 252 CO 0.03 1.51 -0.04 -1.13 0.09 0.00 0.00 178.44 178.89 2wc3 h ASN 253 N 0.17 -0.19 -0.51 -0.43 -1.24 -1.12 0.72 115.58 112.98 2wc3 h ASN 253 Ca -0.18 0.07 0.05 0.00 0.71 0.00 0.00 56.30 56.96 2wc3 h ASN 253 Cb 1.96 0.13 -0.05 0.00 0.73 0.00 0.00 38.32 41.10 2wc3 h ASN 253 CO 0.23 -0.06 0.24 -0.65 -1.29 0.00 0.00 177.43 175.89 2wc3 h PRO 254 N 0.02 0.45 -0.22 6.67 0.11 -1.21 0.46 132.00 138.28 2wc3 h PRO 254 Ca 0.12 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.13 2wc3 h PRO 254 Cb 0.17 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 2wc3 h PRO 254 CO -0.23 0.29 -0.13 0.82 -0.21 0.00 0.00 178.00 178.54 2wc3 h ILE 255 N 0.46 1.31 0.07 4.15 2.04 -0.30 -0.72 117.51 124.51 2wc3 h ILE 255 Ca 0.23 -1.22 -0.34 0.00 1.00 0.00 0.00 64.86 64.53 2wc3 h ILE 255 Cb 0.18 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 2wc3 h ILE 255 CO -0.19 0.37 -1.98 -1.22 0.00 0.00 0.00 178.15 175.14 2wc3 n TYR 256 N -4.50 0.98 0.71 1.37 4.01 0.24 -4.29 117.16 115.67 2wc3 n TYR 256 Ca -0.05 0.25 0.07 0.00 -0.16 0.00 0.00 57.90 58.02 2wc3 n TYR 256 Cb 0.35 -1.15 -0.07 0.00 -0.31 0.00 0.00 39.34 38.17 2wc3 n TYR 256 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2wc3 n ARG 257 N -3.28 1.95 -0.90 -0.72 1.74 0.15 -5.02 116.66 110.59 2wc3 n ARG 257 Ca -0.29 -0.16 0.00 0.00 -0.77 0.00 0.00 57.85 56.64 2wc3 n ARG 257 Cb 1.05 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 31.27 2wc3 n ARG 257 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wc3 n GLY 258 N 1.31 0.53 3.49 -0.13 0.00 -0.25 -4.95 105.19 105.18 2wc3 n GLY 258 Ca 0.04 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 2wc3 n GLY 258 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wc3 s ASP 259 N -2.19 -0.44 0.79 1.61 -1.08 -1.20 -4.80 116.67 109.37 2wc3 s ASP 259 Ca 0.00 -0.20 -0.11 0.00 -0.52 0.00 0.00 52.55 51.72 2wc3 s ASP 259 Cb 0.00 0.60 0.07 0.00 -1.46 0.00 0.00 42.92 42.13 2wc3 s ASP 259 CO 0.00 -1.03 1.11 -0.31 0.52 0.00 0.00 175.17 175.47 2wc3 s TYR 260 N -3.80 2.33 0.61 -5.34 2.02 -1.26 -1.43 117.35 110.48 2wc3 s TYR 260 Ca 0.04 1.61 -0.19 0.00 -0.37 0.00 0.00 57.07 58.17 2wc3 s TYR 260 Cb -0.01 -3.15 -0.02 0.00 -0.40 0.00 0.00 41.96 38.37 2wc3 s TYR 260 CO -0.08 -2.07 1.27 -2.14 -1.57 0.00 0.00 175.55 170.96 2wc3 s PRO 261 N -4.70 2.78 0.12 -1.71 0.02 -1.26 -4.84 135.00 125.42 2wc3 s PRO 261 Ca 0.64 1.99 -0.25 0.00 0.02 0.00 0.00 61.00 63.40 2wc3 s PRO 261 Cb -0.19 -1.92 -0.05 0.00 0.02 0.00 0.00 34.50 32.35 2wc3 s PRO 261 CO 0.54 -1.40 1.65 1.49 -0.33 0.00 0.00 177.00 178.95 2wc3 h GLU 262 N 0.79 -0.32 -0.19 5.54 4.81 -1.99 -1.59 114.58 121.63 2wc3 h GLU 262 Ca -0.51 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 58.67 2wc3 h GLU 262 Cb 1.32 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.76 2wc3 h GLU 262 CO 0.54 -0.22 -0.22 -0.07 -0.73 0.00 0.00 179.01 178.32 2wc3 h LEU 263 N -0.34 0.34 -0.64 1.64 3.38 -1.96 -1.58 115.31 116.15 2wc3 h LEU 263 Ca 0.06 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2wc3 h LEU 263 Cb 0.42 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2wc3 h LEU 263 CO -0.21 0.57 0.35 0.58 0.09 0.00 0.00 178.44 179.82 2wc3 h VAL 264 N 0.31 1.21 -0.24 1.22 2.07 -1.73 -2.19 116.25 116.89 2wc3 h VAL 264 Ca 0.05 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 2wc3 h VAL 264 Cb 0.57 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2wc3 h VAL 264 CO 0.04 0.23 -0.08 -0.07 0.02 0.00 0.00 177.57 177.70 2wc3 h LEU 265 N 0.88 0.37 -1.47 2.57 3.38 -0.39 -0.16 115.31 120.47 2wc3 h LEU 265 Ca 0.23 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 2wc3 h LEU 265 Cb 0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2wc3 h LEU 265 CO -0.04 0.50 -0.22 -0.33 0.09 0.00 0.00 178.44 178.44 2wc3 h GLU 266 N 0.37 0.00 0.00 1.13 5.08 -0.74 -0.60 114.58 119.82 2wc3 h GLU 266 Ca 0.08 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.14 2wc3 h GLU 266 Cb 0.38 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 2wc3 h GLU 266 CO 0.02 0.22 -1.77 0.34 -1.00 0.00 0.00 179.01 176.83 2wc3 n PHE 267 N -3.64 0.89 -0.41 4.33 7.35 -0.86 -4.71 117.46 120.41 2wc3 n PHE 267 Ca -0.01 0.32 0.00 0.00 -0.76 0.00 0.00 57.45 57.00 2wc3 n PHE 267 Cb 0.35 -1.16 0.00 0.00 0.35 0.00 0.00 39.48 39.02 2wc3 n PHE 267 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wc3 n ALA 268 N -2.57 1.48 -0.34 3.13 0.00 -0.13 -4.74 120.51 117.35 2wc3 n ALA 268 Ca -0.18 -0.32 0.19 0.00 0.00 0.00 0.00 53.44 53.13 2wc3 n ALA 268 Cb 1.05 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.90 2wc3 n ALA 268 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wc3 h ARG 269 N 0.00 0.47 0.00 0.00 1.12 -1.29 -0.34 114.38 114.34 2wc3 h ARG 269 Ca 0.00 -0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 58.82 2wc3 h ARG 269 Cb 0.23 -0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 30.08 2wc3 h ARG 269 CO 0.00 0.31 -0.13 0.93 -3.11 0.00 0.00 179.97 177.98 2wc3 h GLU 270 N 0.49 0.00 0.00 0.20 5.08 -1.85 -3.01 114.58 115.49 2wc3 h GLU 270 Ca 0.66 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.87 2wc3 h GLU 270 Cb 1.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 2wc3 h GLU 270 CO -0.52 0.13 -1.88 0.66 -1.00 0.00 0.00 179.01 176.40 2wc3 n TYR 271 N -3.69 0.35 -1.97 4.33 4.01 -0.16 -4.89 117.16 115.14 2wc3 n TYR 271 Ca -0.02 0.11 -0.33 0.00 -0.16 0.00 0.00 57.90 57.50 2wc3 n TYR 271 Cb 0.24 -0.85 0.02 0.00 -0.31 0.00 0.00 39.34 38.45 2wc3 n TYR 271 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2wc3 s LEU 272 N -5.22 3.51 0.37 7.72 1.43 -1.07 -4.42 118.68 121.00 2wc3 s LEU 272 Ca -0.07 1.99 -0.27 0.00 -1.03 0.00 0.00 54.13 54.76 2wc3 s LEU 272 Cb 0.10 -4.55 -0.11 0.00 0.03 0.00 0.00 46.19 41.65 2wc3 s LEU 272 CO 0.85 -1.39 1.24 -2.65 0.23 0.00 0.00 176.35 174.63 2wc3 n PRO 273 N -2.01 1.95 -0.29 1.29 -0.02 -1.26 -4.87 135.00 129.79 2wc3 n PRO 273 Ca 0.10 0.69 0.11 0.00 -2.02 0.00 0.00 63.50 62.38 2wc3 n PRO 273 Cb 0.52 -2.29 0.27 0.00 -0.02 0.00 0.00 33.50 31.98 2wc3 n PRO 273 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2wc3 h GLU 274 N 2.28 0.35 -0.29 -0.52 4.57 -1.93 -1.65 114.58 117.38 2wc3 h GLU 274 Ca -0.46 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 2wc3 h GLU 274 Cb 1.29 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 2wc3 h GLU 274 CO 0.61 0.23 0.00 0.09 -1.18 0.00 0.00 179.01 178.76 2wc3 n ASN 275 N -5.09 1.68 -0.32 1.04 5.03 -1.26 -4.73 115.26 111.61 2wc3 n ASN 275 Ca 0.20 -1.93 0.18 0.00 0.87 0.00 0.00 54.58 53.90 2wc3 n ASN 275 Cb 0.60 -0.19 0.43 0.00 -1.02 0.00 0.00 39.78 39.60 2wc3 n ASN 275 CO 0.00 0.00 0.00 0.10 -1.83 0.00 0.00 177.26 175.53 2wc3 h TYR 276 N 1.91 0.82 -0.01 3.10 -0.00 -1.66 -1.27 116.97 119.86 2wc3 h TYR 276 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.76 2wc3 h TYR 276 Cb 0.43 -0.24 -0.00 0.00 0.00 0.00 0.00 36.73 36.92 2wc3 h TYR 276 CO 0.19 0.14 0.02 0.87 -0.00 0.00 0.00 178.16 179.38 2wc3 h LYS 277 N 0.55 0.00 -0.03 0.10 1.79 -1.86 -2.02 116.57 115.10 2wc3 h LYS 277 Ca 0.57 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 59.05 2wc3 h LYS 277 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2wc3 h LYS 277 CO -0.32 0.00 0.05 -0.44 -1.08 0.00 0.00 179.45 177.66 2wc3 h ASP 278 N 0.00 0.00 1.09 0.86 3.32 -1.63 -1.76 116.42 118.30 2wc3 h ASP 278 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2wc3 h ASP 278 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2wc3 h ASP 278 CO -0.00 0.00 -0.54 0.44 -1.72 0.00 0.00 179.24 177.42 2wc3 h ASP 279 N 0.00 0.00 -0.55 6.45 3.32 -1.56 -3.39 116.42 120.68 2wc3 h ASP 279 Ca 0.02 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 56.97 2wc3 h ASP 279 Cb 0.11 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 2wc3 h ASP 279 CO -0.00 0.06 0.37 0.24 -1.72 0.00 0.00 179.24 178.19 2wc3 h MET 280 N 0.00 0.63 -0.21 3.56 2.86 -1.44 -2.04 114.93 118.28 2wc3 h MET 280 Ca 0.00 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.46 2wc3 h MET 280 Cb 0.81 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 2wc3 h MET 280 CO 0.00 0.41 -0.46 0.66 1.06 0.00 0.00 176.91 178.58 2wc3 h SER 281 N 0.64 0.60 0.42 1.22 4.64 -1.77 -2.17 113.55 117.13 2wc3 h SER 281 Ca 0.22 -0.29 -0.12 0.00 -0.47 0.00 0.00 61.79 61.13 2wc3 h SER 281 Cb 0.08 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 2wc3 h SER 281 CO -0.06 0.97 -0.54 -0.33 -0.87 0.00 0.00 176.83 176.01 2wc3 h GLU 282 N 0.44 0.13 0.00 4.77 5.08 -1.75 -3.16 114.58 120.10 2wc3 h GLU 282 Ca 0.03 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2wc3 h GLU 282 Cb 0.98 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2wc3 h GLU 282 CO 0.09 0.64 -0.28 0.82 -1.00 0.00 0.00 179.01 179.28 2wc3 h ILE 283 N 0.10 0.98 0.00 3.13 2.04 -0.88 -2.77 117.51 120.11 2wc3 h ILE 283 Ca -0.00 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.82 2wc3 h ILE 283 Cb 0.99 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 2wc3 h ILE 283 CO 0.08 0.28 0.00 0.00 0.00 0.00 0.00 178.15 178.50 2wc3 n GLN 284 N -3.89 0.67 -1.57 2.37 6.02 -0.86 -4.63 117.38 115.49 2wc3 n GLN 284 Ca -0.02 0.00 -0.52 0.00 -0.01 0.00 0.00 57.00 56.45 2wc3 n GLN 284 Cb 0.36 -1.02 -0.06 0.00 1.02 0.00 0.00 30.24 30.55 2wc3 n GLN 284 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2wc3 n GLU 285 N -0.52 0.99 -2.11 -1.09 4.07 -1.05 -4.83 120.64 116.11 2wc3 n GLU 285 Ca 0.00 0.36 -0.41 0.00 -0.06 0.00 0.00 57.16 57.05 2wc3 n GLU 285 Cb 0.00 -1.94 -0.02 0.00 -0.06 0.00 0.00 31.44 29.42 2wc3 n GLU 285 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2wc3 s LYS 286 N 0.22 4.34 0.19 5.31 2.20 -1.26 -5.02 119.74 125.72 2wc3 s LYS 286 Ca 0.83 2.21 0.08 0.00 -0.36 0.00 0.00 55.97 58.72 2wc3 s LYS 286 Cb -0.97 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 32.20 2wc3 s LYS 286 CO 0.49 -0.26 -0.03 0.96 -0.36 0.00 0.00 175.35 176.16 2wc3 s ILE 287 N -0.61 3.51 -0.04 5.43 -4.36 -1.26 -5.00 121.20 118.86 2wc3 s ILE 287 Ca 0.53 -1.57 -0.03 0.00 -0.26 0.00 0.00 60.65 59.31 2wc3 s ILE 287 Cb -0.40 -2.78 -0.27 0.00 1.25 0.00 0.00 42.46 40.27 2wc3 s ILE 287 CO 0.48 -0.15 0.67 0.44 0.24 0.00 0.00 174.94 176.61 2wc3 h ASP 288 N 2.64 0.39 -5.12 4.36 3.32 -1.56 -3.46 116.42 116.98 2wc3 h ASP 288 Ca -0.46 -0.65 -0.07 0.00 0.02 0.00 0.00 57.03 55.86 2wc3 h ASP 288 Cb 1.21 -0.13 -0.14 0.00 0.22 0.00 0.00 39.33 40.50 2wc3 h ASP 288 CO 0.57 1.56 -0.25 0.72 -1.72 0.00 0.00 179.24 180.12 2wc3 s PHE 289 N -2.59 -0.01 -0.14 4.55 -0.12 -1.21 -3.67 117.98 114.80 2wc3 s PHE 289 Ca -0.13 -0.35 -0.04 0.00 -0.05 0.00 0.00 56.93 56.36 2wc3 s PHE 289 Cb 0.07 0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.50 2wc3 s PHE 289 CO 0.83 -0.60 0.00 0.08 -0.05 0.00 0.00 175.22 175.48 2wc3 s VAL 290 N -3.71 4.26 -0.18 -2.49 1.01 -0.24 -3.15 120.40 115.89 2wc3 s VAL 290 Ca 0.03 -0.24 -0.09 0.00 0.00 0.00 0.00 61.98 61.69 2wc3 s VAL 290 Cb 0.03 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 2wc3 s VAL 290 CO -0.11 0.53 0.11 -0.83 0.00 0.00 0.00 175.10 174.80 2wc3 s GLY 291 N -0.08 2.01 -0.11 4.51 0.00 0.08 -1.26 107.32 112.48 2wc3 s GLY 291 Ca 0.04 -0.70 0.02 0.00 0.00 0.00 0.00 44.72 44.08 2wc3 s GLY 291 CO 0.02 0.04 -0.19 1.08 0.00 0.00 0.00 173.10 174.05 2wc3 s LEU 292 N 0.17 2.42 0.02 0.66 1.43 0.94 -1.55 118.68 122.76 2wc3 s LEU 292 Ca 0.08 -0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 52.71 2wc3 s LEU 292 Cb -0.11 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 2wc3 s LEU 292 CO -0.01 0.19 0.24 0.20 0.23 0.00 0.00 176.35 177.20 2wc3 s ASN 293 N 0.21 6.44 -0.21 2.29 0.01 -0.05 -1.43 114.94 122.20 2wc3 s ASN 293 Ca -0.12 0.46 -0.14 0.00 -0.71 0.00 0.00 52.86 52.35 2wc3 s ASN 293 Cb -0.16 -2.05 0.06 0.00 0.41 0.00 0.00 41.25 39.52 2wc3 s ASN 293 CO 0.06 0.23 0.53 -0.47 -1.51 0.00 0.00 177.10 175.95 2wc3 s TYR 294 N -1.35 -0.74 0.00 2.20 5.04 -0.52 -2.24 117.35 119.74 2wc3 s TYR 294 Ca 0.29 1.59 0.00 0.00 -2.44 0.00 0.00 57.07 56.51 2wc3 s TYR 294 Cb -0.13 0.36 0.00 0.00 0.35 0.00 0.00 41.96 42.54 2wc3 s TYR 294 CO 0.19 -0.38 0.00 0.66 -1.34 0.00 0.00 175.55 174.67 2wc3 n TYR 295 N 3.84 0.00 -3.52 4.97 4.02 -1.26 -4.32 117.16 120.88 2wc3 n TYR 295 Ca -0.19 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.58 2wc3 n TYR 295 Cb 0.57 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.86 2wc3 n TYR 295 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2wc3 s SER 296 N -2.53 -0.46 0.22 7.72 0.15 -1.26 -4.71 113.70 112.83 2wc3 s SER 296 Ca 0.00 -0.14 0.08 0.00 0.70 0.00 0.00 55.95 56.59 2wc3 s SER 296 Cb 0.00 0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 64.86 2wc3 s SER 296 CO 0.00 -0.99 0.01 -0.83 1.20 0.00 0.00 173.24 172.63 2wc3 s GLY 297 N -2.78 1.66 -0.06 9.45 0.00 -1.17 -2.35 107.32 112.07 2wc3 s GLY 297 Ca 0.03 -1.51 -0.03 0.00 0.00 0.00 0.00 44.72 43.21 2wc3 s GLY 297 CO -0.10 -1.55 0.14 0.30 0.00 0.00 0.00 173.10 171.88 2wc3 s HIS 298 N -2.04 -0.15 -0.22 1.90 3.76 0.59 -4.42 115.29 114.72 2wc3 s HIS 298 Ca 0.30 0.43 -0.22 0.00 -0.15 0.00 0.00 55.06 55.41 2wc3 s HIS 298 Cb -0.08 -0.06 -0.02 0.00 1.11 0.00 0.00 32.58 33.54 2wc3 s HIS 298 CO 0.20 -0.14 0.71 -1.17 -0.85 0.00 0.00 174.74 173.48 2wc3 s LEU 299 N 0.89 4.12 0.00 0.89 2.96 -1.26 -0.78 118.68 125.50 2wc3 s LEU 299 Ca -0.07 0.90 0.07 0.00 -0.22 0.00 0.00 54.13 54.82 2wc3 s LEU 299 Cb -0.09 -3.00 -0.03 0.00 0.50 0.00 0.00 46.19 43.57 2wc3 s LEU 299 CO -0.04 -0.37 -0.23 -0.69 -1.32 0.00 0.00 176.35 173.70 2wc3 s VAL 300 N 2.29 2.38 0.05 1.68 1.01 0.16 -0.12 120.40 127.84 2wc3 s VAL 300 Ca 0.31 -1.14 0.03 0.00 0.00 0.00 0.00 61.98 61.18 2wc3 s VAL 300 Cb -0.16 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 2wc3 s VAL 300 CO 0.10 0.48 -0.09 -1.59 0.00 0.00 0.00 175.10 174.00 2wc3 s LYS 301 N -0.95 0.58 0.32 2.72 -2.85 -1.04 -0.21 119.74 118.31 2wc3 s LYS 301 Ca 0.12 -0.78 -0.29 0.00 -1.00 0.00 0.00 55.97 54.02 2wc3 s LYS 301 Cb -0.10 -0.40 -0.11 0.00 -2.06 0.00 0.00 37.83 35.16 2wc3 s LYS 301 CO 0.01 0.08 1.47 0.12 0.10 0.00 0.00 175.35 177.13 2wc3 s PHE 302 N -1.32 2.80 -0.19 1.78 5.36 -1.26 -2.34 117.98 122.81 2wc3 s PHE 302 Ca -0.08 1.08 -0.04 0.00 -0.96 0.00 0.00 56.93 56.93 2wc3 s PHE 302 Cb -0.10 -3.94 0.09 0.00 -0.34 0.00 0.00 43.02 38.74 2wc3 s PHE 302 CO 0.01 -2.89 0.29 0.34 -1.46 0.00 0.00 175.22 171.51 2wc3 s ASP 303 N 0.06 0.61 0.39 6.13 3.68 -0.69 -4.84 116.67 122.01 2wc3 s ASP 303 Ca 0.56 0.26 0.08 0.00 2.13 0.00 0.00 52.55 55.58 2wc3 s ASP 303 Cb -0.45 0.76 0.83 0.00 -1.45 0.00 0.00 42.92 42.61 2wc3 s ASP 303 CO 0.53 -0.28 2.00 -0.65 0.13 0.00 0.00 175.17 176.90 2wc3 h PRO 304 N 8.26 0.61 -0.08 4.34 0.11 -1.95 -2.76 132.00 140.53 2wc3 h PRO 304 Ca -0.17 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2wc3 h PRO 304 Cb 1.14 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2wc3 h PRO 304 CO 0.22 0.40 0.00 -0.25 -0.21 0.00 0.00 178.00 178.16 2wc3 n ASP 305 N -4.47 1.75 -4.90 -2.05 9.92 -1.26 -4.83 116.55 110.70 2wc3 n ASP 305 Ca 0.08 -1.63 -0.29 0.00 -0.53 0.00 0.00 54.79 52.42 2wc3 n ASP 305 Cb 0.19 -0.05 -0.04 0.00 -0.64 0.00 0.00 41.12 40.59 2wc3 n ASP 305 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wc3 s ALA 306 N -1.91 3.68 0.22 2.24 0.00 -1.04 -4.98 121.76 119.97 2wc3 s ALA 306 Ca 0.35 -0.57 -0.15 0.00 0.00 0.00 0.00 51.96 51.59 2wc3 s ALA 306 Cb 0.20 -2.23 0.25 0.00 0.00 0.00 0.00 23.12 21.34 2wc3 s ALA 306 CO 0.31 0.38 1.59 -1.00 0.00 0.00 0.00 175.76 177.04 2wc3 h PRO 307 N 2.03 -0.05 -0.35 0.00 0.13 -1.89 0.90 132.00 132.77 2wc3 h PRO 307 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2wc3 h PRO 307 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2wc3 h PRO 307 CO 0.68 -0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.42 2wc3 n ALA 308 N -3.24 2.89 -1.93 -0.56 0.00 -1.26 -4.92 120.51 111.49 2wc3 n ALA 308 Ca 0.08 -1.92 -0.13 0.00 0.00 0.00 0.00 53.44 51.47 2wc3 n ALA 308 Cb 0.38 -0.72 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 2wc3 n ALA 308 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wc3 n LYS 309 N 0.01 -1.00 -4.41 0.00 4.76 0.31 -5.00 118.16 112.83 2wc3 n LYS 309 Ca 0.20 0.76 -0.20 0.00 -2.87 0.00 0.00 58.31 56.20 2wc3 n LYS 309 Cb 0.81 -4.93 -0.15 0.00 -1.84 0.00 0.00 35.03 28.92 2wc3 n LYS 309 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wc3 s VAL 310 N -2.60 0.80 0.03 -0.18 1.01 -1.25 -1.70 120.40 116.51 2wc3 s VAL 310 Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.61 2wc3 s VAL 310 Cb 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 2wc3 s VAL 310 CO 0.00 0.24 -0.08 -0.94 0.00 0.00 0.00 175.10 174.32 2wc3 s SER 311 N 0.01 0.87 0.29 3.32 1.04 -0.99 -4.61 113.70 113.63 2wc3 s SER 311 Ca -0.00 -0.47 -0.19 0.00 0.48 0.00 0.00 55.95 55.77 2wc3 s SER 311 Cb -0.07 0.01 -0.09 0.00 0.10 0.00 0.00 66.02 65.97 2wc3 s SER 311 CO 0.00 -0.14 0.79 -0.36 0.98 0.00 0.00 173.24 174.50 2wc3 s PHE 312 N -1.13 3.53 -0.29 5.02 0.08 -1.26 -2.49 117.98 121.44 2wc3 s PHE 312 Ca -0.07 1.42 0.00 0.00 0.12 0.00 0.00 56.93 58.40 2wc3 s PHE 312 Cb -0.08 -2.67 0.06 0.00 -0.57 0.00 0.00 43.02 39.76 2wc3 s PHE 312 CO 0.00 0.19 -0.04 0.08 -0.10 0.00 0.00 175.22 175.36 2wc3 s VAL 313 N -1.75 2.67 0.10 -0.44 1.01 0.83 -4.95 120.40 117.87 2wc3 s VAL 313 Ca 0.50 -1.52 -0.31 0.00 0.00 0.00 0.00 61.98 60.65 2wc3 s VAL 313 Cb -0.14 -2.57 -0.10 0.00 0.00 0.00 0.00 36.38 33.57 2wc3 s VAL 313 CO 0.19 -0.10 1.88 -1.84 0.00 0.00 0.00 175.10 175.23 2wc3 n GLU 314 N 4.54 2.83 -3.75 2.72 0.00 -1.26 -4.13 120.64 121.59 2wc3 n GLU 314 Ca -0.13 1.03 -0.23 0.00 0.00 0.00 0.00 57.16 57.84 2wc3 n GLU 314 Cb 0.43 -2.95 -0.02 0.00 0.00 0.00 0.00 31.44 28.90 2wc3 n GLU 314 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2wc3 s ARG 315 N 3.18 3.46 -1.24 3.44 0.52 -1.26 -5.02 118.95 122.03 2wc3 s ARG 315 Ca 0.84 -0.56 -0.14 0.00 -0.52 0.00 0.00 55.73 55.34 2wc3 s ARG 315 Cb -0.46 -2.82 0.15 0.00 0.52 0.00 0.00 34.95 32.34 2wc3 s ARG 315 CO 0.38 0.34 1.55 -3.47 0.02 0.00 0.00 175.30 174.12 2wc3 n ASP 316 N -1.37 5.13 -4.28 0.23 4.64 -1.26 -4.94 116.55 114.70 2wc3 n ASP 316 Ca -0.07 -2.97 -0.15 0.00 -1.38 0.00 0.00 54.79 50.22 2wc3 n ASP 316 Cb 0.56 -1.61 -0.10 0.00 -1.04 0.00 0.00 41.12 38.93 2wc3 n ASP 316 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2wc3 s LEU 317 N 2.09 2.41 0.32 -2.67 1.02 -1.26 -5.11 118.68 115.47 2wc3 s LEU 317 Ca 0.45 -1.09 -0.29 0.00 0.02 0.00 0.00 54.13 53.23 2wc3 s LEU 317 Cb -0.00 -0.32 -0.12 0.00 0.02 0.00 0.00 46.19 45.77 2wc3 s LEU 317 CO 0.02 -0.40 1.38 -2.65 0.02 0.00 0.00 176.35 174.72 2wc3 n PRO 318 N -0.27 2.27 -4.35 1.29 -0.02 -1.26 -4.84 135.00 127.80 2wc3 n PRO 318 Ca -0.08 0.80 -0.26 0.00 -2.02 0.00 0.00 63.50 61.94 2wc3 n PRO 318 Cb 0.62 -2.44 -0.13 0.00 -0.02 0.00 0.00 33.50 31.53 2wc3 n PRO 318 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wc3 s LYS 319 N -1.47 1.24 0.33 -0.52 1.02 -1.26 -0.36 119.74 118.70 2wc3 s LYS 319 Ca 0.58 -1.20 -0.05 0.00 0.02 0.00 0.00 55.97 55.32 2wc3 s LYS 319 Cb -0.56 -1.56 0.07 0.00 -0.52 0.00 0.00 37.83 35.27 2wc3 s LYS 319 CO 0.59 0.37 0.44 0.25 -0.92 0.00 0.00 175.35 176.08 2wc3 n THR 320 N 1.10 0.00 0.67 2.17 -2.24 -0.77 -4.88 114.28 110.34 2wc3 n THR 320 Ca -0.19 -0.36 0.08 0.00 -2.27 0.00 0.00 64.05 61.32 2wc3 n THR 320 Cb 0.53 -1.76 0.39 0.00 -2.10 0.00 0.00 70.33 67.39 2wc3 n THR 320 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wc3 n ALA 321 N -3.26 1.84 0.67 6.98 0.00 0.11 -1.79 120.51 125.06 2wc3 n ALA 321 Ca -0.07 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.43 2wc3 n ALA 321 Cb 0.20 -1.28 0.37 0.00 0.00 0.00 0.00 19.45 18.74 2wc3 n ALA 321 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2wc3 n MET 322 N -1.43 0.23 -0.51 0.00 2.81 -1.26 -4.92 117.12 112.04 2wc3 n MET 322 Ca 0.06 0.15 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 2wc3 n MET 322 Cb 0.18 -1.73 0.00 0.00 -0.71 0.00 0.00 33.22 30.96 2wc3 n MET 322 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wc3 n GLY 323 N 1.35 0.75 3.71 3.03 0.00 -0.74 -5.04 105.19 108.25 2wc3 n GLY 323 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2wc3 n GLY 323 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wc3 s TRP 324 N -2.69 3.67 0.24 1.61 0.51 -1.26 -4.75 118.94 116.27 2wc3 s TRP 324 Ca 0.00 1.64 -0.30 0.00 -2.12 0.00 0.00 56.10 55.32 2wc3 s TRP 324 Cb 0.00 -3.06 -0.10 0.00 -0.81 0.00 0.00 33.47 29.50 2wc3 s TRP 324 CO 0.00 0.04 1.46 -1.21 -0.51 0.00 0.00 176.95 176.73 2wc3 s GLU 325 N 0.82 4.26 -0.59 4.98 2.02 -1.26 -1.84 118.70 127.08 2wc3 s GLU 325 Ca 0.49 2.31 -0.22 0.00 0.02 0.00 0.00 54.97 57.57 2wc3 s GLU 325 Cb -0.21 -3.11 0.06 0.00 0.10 0.00 0.00 34.13 30.97 2wc3 s GLU 325 CO 0.27 -0.45 0.88 0.42 0.02 0.00 0.00 175.26 176.40 2wc3 s ILE 326 N 0.14 4.48 -0.57 -1.63 1.01 0.51 -3.03 121.20 122.11 2wc3 s ILE 326 Ca 0.61 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 61.11 2wc3 s ILE 326 Cb -0.42 -4.55 0.17 0.00 0.01 0.00 0.00 42.46 37.67 2wc3 s ILE 326 CO 0.42 -1.19 0.42 -0.69 0.00 0.00 0.00 174.94 173.89 2wc3 s VAL 327 N 3.67 1.78 0.50 2.92 1.01 -1.26 -4.74 120.40 124.28 2wc3 s VAL 327 Ca 0.23 -3.52 0.15 0.00 0.00 0.00 0.00 61.98 58.84 2wc3 s VAL 327 Cb -0.16 -2.19 0.26 0.00 0.00 0.00 0.00 36.38 34.30 2wc3 s VAL 327 CO 0.13 -1.09 2.13 -0.65 0.00 0.00 0.00 175.10 175.62 2wc3 h PRO 328 N 5.58 0.06 0.00 2.72 0.11 -1.92 -1.07 132.00 137.47 2wc3 h PRO 328 Ca 0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2wc3 h PRO 328 Cb 0.83 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2wc3 h PRO 328 CO 0.56 0.05 0.00 1.05 -0.21 0.00 0.00 178.00 179.45 2wc3 h GLU 329 N 0.06 0.00 0.00 1.05 9.09 -1.93 -2.09 114.58 120.76 2wc3 h GLU 329 Ca 0.02 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.38 2wc3 h GLU 329 Cb 0.01 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.11 2wc3 h GLU 329 CO -0.00 0.00 -0.23 0.78 0.05 0.00 0.00 179.01 179.61 2wc3 h GLY 330 N 1.67 0.00 1.31 1.06 0.00 -1.60 -0.56 103.07 104.95 2wc3 h GLY 330 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 2wc3 h GLY 330 CO 0.00 0.00 -0.63 1.19 0.00 0.00 0.00 176.54 177.10 2wc3 h ILE 331 N 0.00 1.30 0.09 2.60 2.10 -1.56 -0.45 117.51 121.60 2wc3 h ILE 331 Ca -0.00 -1.86 0.02 0.00 1.08 0.00 0.00 64.86 64.10 2wc3 h ILE 331 Cb 0.41 1.81 -0.03 0.00 -1.09 0.00 0.00 36.82 37.92 2wc3 h ILE 331 CO 0.03 0.59 -0.21 0.22 -1.08 0.00 0.00 178.15 177.70 2wc3 h TYR 332 N 0.52 -0.56 -0.54 2.19 5.03 -1.59 -1.92 116.97 120.10 2wc3 h TYR 332 Ca -0.01 0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.35 2wc3 h TYR 332 Cb 1.22 0.23 -0.04 0.00 1.55 0.00 0.00 36.73 39.69 2wc3 h TYR 332 CO 0.06 -0.30 0.30 2.35 -1.32 0.00 0.00 178.16 179.25 2wc3 h TRP 333 N -0.39 0.55 -0.27 -3.82 7.01 -0.82 -0.82 115.95 117.39 2wc3 h TRP 333 Ca 0.03 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 60.98 2wc3 h TRP 333 Cb 0.42 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.29 2wc3 h TRP 333 CO -0.21 0.29 -0.12 0.97 -2.79 0.00 0.00 178.44 176.57 2wc3 h ILE 334 N 0.58 1.22 -0.21 2.65 6.09 -1.03 -0.56 117.51 126.25 2wc3 h ILE 334 Ca 0.23 -0.98 -0.10 0.00 -1.37 0.00 0.00 64.86 62.65 2wc3 h ILE 334 Cb 0.10 1.15 -0.00 0.00 0.47 0.00 0.00 36.82 38.54 2wc3 h ILE 334 CO -0.14 0.32 -0.24 -0.07 -3.07 0.00 0.00 178.15 174.95 2wc3 h LEU 335 N 0.42 0.57 -0.10 2.19 3.38 -0.49 -2.16 115.31 119.12 2wc3 h LEU 335 Ca 0.08 -0.49 0.02 0.00 0.09 0.00 0.00 57.88 57.57 2wc3 h LEU 335 Cb 0.47 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2wc3 h LEU 335 CO 0.03 0.95 -0.00 0.11 0.09 0.00 0.00 178.44 179.62 2wc3 h LYS 336 N 0.20 0.03 -0.44 1.13 1.79 -0.97 -3.07 116.57 115.25 2wc3 h LYS 336 Ca 0.03 -0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.41 2wc3 h LYS 336 Cb 0.81 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.43 2wc3 h LYS 336 CO 0.06 0.02 -0.08 -0.22 -1.08 0.00 0.00 179.45 178.15 2wc3 h LYS 337 N 0.03 0.77 -0.76 3.15 1.63 -1.08 -0.59 116.57 119.72 2wc3 h LYS 337 Ca 0.05 -0.24 -0.05 0.00 -0.85 0.00 0.00 60.65 59.56 2wc3 h LYS 337 Cb 0.06 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 2wc3 h LYS 337 CO -0.08 0.83 0.30 -0.24 -3.45 0.00 0.00 179.45 176.81 2wc3 h VAL 338 N 0.70 1.26 -0.06 2.00 3.04 -1.41 0.01 116.25 121.79 2wc3 h VAL 338 Ca 0.12 -0.82 -0.00 0.00 -1.01 0.00 0.00 66.70 64.99 2wc3 h VAL 338 Cb 0.55 0.36 -0.00 0.00 -2.01 0.00 0.00 31.29 30.19 2wc3 h VAL 338 CO 0.03 0.33 0.02 0.50 -1.01 0.00 0.00 177.57 177.44 2wc3 h LYS 339 N 1.11 0.09 -0.39 4.17 3.64 -1.32 -1.12 116.57 122.76 2wc3 h LYS 339 Ca 0.25 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.69 2wc3 h LYS 339 Cb 0.22 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.96 2wc3 h LYS 339 CO -0.02 0.26 -0.03 1.49 -2.27 0.00 0.00 179.45 178.88 2wc3 h GLU 340 N -0.09 0.07 0.15 1.90 4.81 -0.80 0.13 114.58 120.75 2wc3 h GLU 340 Ca 0.02 -0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.92 2wc3 h GLU 340 Cb 0.20 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2wc3 h GLU 340 CO -0.00 0.04 -1.62 0.93 -0.73 0.00 0.00 179.01 177.63 2wc3 h GLU 341 N 0.07 0.31 0.00 1.92 5.08 -1.01 -3.41 114.58 117.54 2wc3 h GLU 341 Ca 0.19 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2wc3 h GLU 341 Cb 0.28 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2wc3 h GLU 341 CO -0.35 1.19 -0.19 0.66 -1.00 0.00 0.00 179.01 179.33 2wc3 n TYR 342 N -3.51 0.00 -4.14 4.33 4.01 -0.48 -5.05 117.16 112.31 2wc3 n TYR 342 Ca -0.20 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.19 2wc3 n TYR 342 Cb 1.06 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.05 2wc3 n TYR 342 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2wc3 n ASN 343 N -0.79 -1.29 -4.73 7.72 5.15 0.47 -4.88 115.26 116.92 2wc3 n ASN 343 Ca 0.00 -1.23 -0.37 0.00 -0.60 0.00 0.00 54.58 52.38 2wc3 n ASN 343 Cb 0.00 -1.96 0.07 0.00 -0.53 0.00 0.00 39.78 37.37 2wc3 n ASN 343 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2wc3 s PRO 344 N -7.19 2.50 0.27 1.20 0.04 -1.26 -4.90 135.00 125.66 2wc3 s PRO 344 Ca 0.19 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.24 2wc3 s PRO 344 Cb -0.10 -1.84 0.37 0.00 0.04 0.00 0.00 34.50 32.97 2wc3 s PRO 344 CO 0.97 -1.63 1.87 -1.00 0.04 0.00 0.00 177.00 177.24 2wc3 h PRO 345 N 0.44 0.98 -3.71 0.56 0.13 -1.89 -3.44 132.00 125.07 2wc3 h PRO 345 Ca -0.51 -0.15 -0.17 0.00 -0.87 0.00 0.00 66.00 64.31 2wc3 h PRO 345 Cb 1.33 -0.18 -0.23 0.00 0.13 0.00 0.00 31.00 32.06 2wc3 h PRO 345 CO 0.53 0.78 -0.62 -1.21 -0.23 0.00 0.00 178.00 177.25 2wc3 s GLU 346 N -5.51 0.30 -0.00 0.86 2.02 -1.24 -4.81 118.70 110.32 2wc3 s GLU 346 Ca -0.11 -0.34 0.05 0.00 0.02 0.00 0.00 54.97 54.59 2wc3 s GLU 346 Cb 0.16 0.12 -0.01 0.00 0.10 0.00 0.00 34.13 34.50 2wc3 s GLU 346 CO 0.81 -0.06 -0.15 0.08 0.02 0.00 0.00 175.26 175.96 2wc3 s VAL 347 N -1.01 1.16 -0.00 2.63 1.01 -0.81 -1.08 120.40 122.30 2wc3 s VAL 347 Ca -0.11 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.24 2wc3 s VAL 347 Cb -0.07 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 2wc3 s VAL 347 CO 0.00 0.28 -0.19 -0.31 0.00 0.00 0.00 175.10 174.89 2wc3 s TYR 348 N -0.42 1.68 -0.58 5.22 1.51 -0.39 -0.40 117.35 123.98 2wc3 s TYR 348 Ca 0.05 -0.33 -0.28 0.00 -1.01 0.00 0.00 57.07 55.50 2wc3 s TYR 348 Cb -0.06 -1.06 0.03 0.00 -0.11 0.00 0.00 41.96 40.76 2wc3 s TYR 348 CO -0.00 -0.00 1.18 0.42 -1.11 0.00 0.00 175.55 176.03 2wc3 s ILE 349 N -0.53 4.04 -1.21 2.71 -1.09 -0.88 -0.04 121.20 124.20 2wc3 s ILE 349 Ca 0.07 0.87 0.24 0.00 -2.23 0.00 0.00 60.65 59.60 2wc3 s ILE 349 Cb -0.08 -4.72 0.00 0.00 -1.58 0.00 0.00 42.46 36.09 2wc3 s ILE 349 CO -0.00 -1.33 1.31 0.35 -1.23 0.00 0.00 174.94 174.04 2wc3 n THR 350 N 6.65 0.00 -3.64 2.92 -2.24 -0.51 -0.94 114.28 116.52 2wc3 n THR 350 Ca 0.08 -0.04 -0.05 0.00 -2.27 0.00 0.00 64.05 61.77 2wc3 n THR 350 Cb 0.49 0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 69.17 2wc3 n THR 350 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2wc3 s GLU 351 N -2.87 0.64 -0.16 -0.78 2.02 -1.23 -4.69 118.70 111.62 2wc3 s GLU 351 Ca 0.13 1.22 -0.12 0.00 0.02 0.00 0.00 54.97 56.22 2wc3 s GLU 351 Cb 0.18 0.30 0.05 0.00 0.10 0.00 0.00 34.13 34.75 2wc3 s GLU 351 CO 0.70 -0.15 0.42 1.21 0.02 0.00 0.00 175.26 177.45 2wc3 s ASN 352 N 1.90 -0.48 0.00 -0.19 3.84 -0.96 -1.43 114.94 117.61 2wc3 s ASN 352 Ca -0.09 0.87 0.00 0.00 0.21 0.00 0.00 52.86 53.86 2wc3 s ASN 352 Cb -0.06 0.81 0.00 0.00 -0.55 0.00 0.00 41.25 41.45 2wc3 s ASN 352 CO -0.19 -0.17 0.00 0.61 -2.79 0.00 0.00 177.10 174.56 2wc3 n GLY 353 N 3.62 -1.43 3.38 1.21 0.00 -1.26 -1.12 105.19 109.60 2wc3 n GLY 353 Ca -0.19 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.63 2wc3 n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wc3 s ALA 354 N -1.93 -1.26 -0.23 4.61 0.00 -1.26 -4.89 121.76 116.81 2wc3 s ALA 354 Ca 0.00 0.98 -0.09 0.00 0.00 0.00 0.00 51.96 52.85 2wc3 s ALA 354 Cb 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 2wc3 s ALA 354 CO 0.00 -0.29 0.11 0.00 0.00 0.00 0.00 175.76 175.58 2wc3 s ALA 355 N -0.84 3.42 0.26 0.00 0.00 -1.26 -4.35 121.76 118.99 2wc3 s ALA 355 Ca -0.09 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 50.97 2wc3 s ALA 355 Cb -0.03 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 20.88 2wc3 s ALA 355 CO 0.05 -0.20 0.03 -0.06 0.00 0.00 0.00 175.76 175.58 2wc3 s PHE 356 N 1.08 1.64 -1.23 0.00 0.08 -1.22 0.07 117.98 118.39 2wc3 s PHE 356 Ca 0.06 -0.99 -0.19 0.00 0.12 0.00 0.00 56.93 55.93 2wc3 s PHE 356 Cb -0.14 -0.98 0.07 0.00 -0.57 0.00 0.00 43.02 41.40 2wc3 s PHE 356 CO 0.04 -0.10 1.67 -0.51 -0.10 0.00 0.00 175.22 176.22 2wc3 s ASP 357 N -3.34 6.76 0.02 1.36 1.01 -1.26 -4.55 116.67 116.66 2wc3 s ASP 357 Ca 0.32 -2.21 -0.30 0.00 0.71 0.00 0.00 52.55 51.07 2wc3 s ASP 357 Cb 0.07 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 41.36 2wc3 s ASP 357 CO 0.11 -1.25 1.44 -1.81 0.21 0.00 0.00 175.17 173.87 2wc3 s ASP 358 N 4.41 6.81 -0.06 0.27 1.01 -1.26 -5.02 116.67 122.82 2wc3 s ASP 358 Ca 0.52 2.18 0.05 0.00 0.71 0.00 0.00 52.55 56.01 2wc3 s ASP 358 Cb 0.03 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 2wc3 s ASP 358 CO 0.04 -0.74 -0.21 0.68 0.21 0.00 0.00 175.17 175.15 2wc3 s VAL 359 N 2.38 2.44 -0.20 -1.27 -7.23 -1.26 -5.11 120.40 110.15 2wc3 s VAL 359 Ca 0.65 -0.93 -0.23 0.00 -1.81 0.00 0.00 61.98 59.67 2wc3 s VAL 359 Cb -0.33 -1.92 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 2wc3 s VAL 359 CO 0.28 0.57 0.72 -0.69 -0.31 0.00 0.00 175.10 175.66 2wc3 s VAL 360 N -0.29 4.95 0.74 1.32 1.01 -1.26 -4.44 120.40 122.43 2wc3 s VAL 360 Ca 0.01 1.37 -0.02 0.00 0.00 0.00 0.00 61.98 63.34 2wc3 s VAL 360 Cb -0.13 -4.03 0.13 0.00 0.00 0.00 0.00 36.38 32.36 2wc3 s VAL 360 CO 0.03 0.06 1.01 -0.94 0.00 0.00 0.00 175.10 175.26 2wc3 s SER 361 N 1.22 4.28 0.58 3.32 1.04 -0.73 -4.91 113.70 118.49 2wc3 s SER 361 Ca 0.32 -0.31 0.27 0.00 0.48 0.00 0.00 55.95 56.72 2wc3 s SER 361 Cb -0.16 -0.06 1.61 0.00 0.10 0.00 0.00 66.02 67.51 2wc3 s SER 361 CO 0.11 -1.91 2.10 -0.33 0.98 0.00 0.00 173.24 174.19 2wc3 h GLU 362 N -0.60 0.00 0.00 4.02 5.08 -1.98 0.47 114.58 121.57 2wc3 h GLU 362 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2wc3 h GLU 362 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2wc3 h GLU 362 CO 0.40 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.01 2wc3 n ASP 363 N -3.93 0.00 -1.63 1.42 5.68 -1.26 -4.87 116.55 111.96 2wc3 n ASP 363 Ca 0.02 -1.07 -0.13 0.00 -0.50 0.00 0.00 54.79 53.10 2wc3 n ASP 363 Cb 0.32 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 2wc3 n ASP 363 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wc3 n GLY 364 N 0.49 -0.13 3.22 6.12 0.00 0.17 -5.01 105.19 110.04 2wc3 n GLY 364 Ca 0.12 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 2wc3 n GLY 364 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wc3 s ARG 365 N -4.84 1.01 -0.30 1.61 1.81 -1.25 -4.94 118.95 112.06 2wc3 s ARG 365 Ca 0.06 -1.46 0.01 0.00 -1.72 0.00 0.00 55.73 52.62 2wc3 s ARG 365 Cb -0.03 -0.32 0.06 0.00 -0.45 0.00 0.00 34.95 34.22 2wc3 s ARG 365 CO 0.08 -0.06 -0.02 0.08 -0.68 0.00 0.00 175.30 174.70 2wc3 s VAL 366 N -3.58 2.61 -1.19 3.52 1.01 -1.26 -1.78 120.40 119.73 2wc3 s VAL 366 Ca 0.19 -1.65 -0.09 0.00 0.00 0.00 0.00 61.98 60.43 2wc3 s VAL 366 Cb 0.05 -2.59 0.22 0.00 0.00 0.00 0.00 36.38 34.07 2wc3 s VAL 366 CO 0.01 -0.18 1.56 1.41 0.00 0.00 0.00 175.10 177.89 2wc3 n HIS 367 N 4.50 3.57 -2.41 5.22 -0.00 -1.26 -0.84 115.22 124.00 2wc3 n HIS 367 Ca -0.11 -3.03 -0.42 0.00 -0.00 0.00 0.00 57.72 54.16 2wc3 n HIS 367 Cb 0.42 -1.78 0.00 0.00 -0.00 0.00 0.00 29.99 28.64 2wc3 n HIS 367 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 2wc3 n ASP 368 N 3.38 5.69 -0.04 0.41 5.75 -1.26 -4.72 116.55 125.77 2wc3 n ASP 368 Ca 0.33 -3.18 0.07 0.00 -0.01 0.00 0.00 54.79 52.00 2wc3 n ASP 368 Cb 0.37 -1.42 0.45 0.00 -1.03 0.00 0.00 41.12 39.48 2wc3 n ASP 368 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 2wc3 h GLN 369 N 5.52 0.50 -0.91 0.11 5.75 -1.97 -2.26 115.11 121.85 2wc3 h GLN 369 Ca 0.40 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.90 2wc3 h GLN 369 Cb 0.58 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.96 2wc3 h GLN 369 CO 1.56 0.33 0.59 -2.95 -2.65 0.00 0.00 178.83 175.71 2wc3 h ASN 370 N 0.52 0.98 -0.26 -0.69 7.08 -2.00 0.69 115.58 121.90 2wc3 h ASN 370 Ca 0.20 -0.01 -0.12 0.00 -3.08 0.00 0.00 56.30 53.30 2wc3 h ASN 370 Cb 0.15 -0.22 -0.00 0.00 -2.08 0.00 0.00 38.32 36.16 2wc3 h ASN 370 CO -0.05 0.67 -0.29 -0.09 -2.08 0.00 0.00 177.43 175.59 2wc3 h ARG 371 N 1.15 0.66 -0.51 4.14 2.43 -1.82 -1.75 114.38 118.68 2wc3 h ARG 371 Ca 0.36 -0.36 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 2wc3 h ARG 371 Cb 0.01 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.50 2wc3 h ARG 371 CO -0.12 0.97 0.03 0.82 -1.51 0.00 0.00 179.97 180.16 2wc3 h ILE 372 N 0.38 0.63 -0.48 1.20 2.04 -1.23 0.28 117.51 120.33 2wc3 h ILE 372 Ca 0.04 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.89 2wc3 h ILE 372 Cb 0.86 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 2wc3 h ILE 372 CO 0.07 0.03 0.22 0.44 0.00 0.00 0.00 178.15 178.91 2wc3 h ASP 373 N 0.15 0.30 0.67 1.72 3.32 -0.68 0.16 116.42 122.06 2wc3 h ASP 373 Ca 0.26 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 2wc3 h ASP 373 Cb 0.38 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2wc3 h ASP 373 CO -0.40 0.21 -0.43 0.22 -1.72 0.00 0.00 179.24 177.12 2wc3 h TYR 374 N 0.44 -1.15 -0.35 4.55 5.03 -0.72 -1.65 116.97 123.13 2wc3 h TYR 374 Ca 0.22 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.56 2wc3 h TYR 374 Cb 0.15 0.42 -0.04 0.00 1.55 0.00 0.00 36.73 38.81 2wc3 h TYR 374 CO -0.12 -0.64 0.09 -0.07 -1.32 0.00 0.00 178.16 176.10 2wc3 h LEU 375 N -1.04 0.06 -0.53 2.82 3.38 -0.73 -2.12 115.31 117.16 2wc3 h LEU 375 Ca -0.08 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.00 2wc3 h LEU 375 Cb 0.85 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 2wc3 h LEU 375 CO 0.07 0.07 0.22 0.50 0.09 0.00 0.00 178.44 179.39 2wc3 h LYS 376 N 0.22 0.41 -0.55 1.13 3.64 -0.63 -0.55 116.57 120.25 2wc3 h LYS 376 Ca 0.16 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2wc3 h LYS 376 Cb 0.16 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2wc3 h LYS 376 CO -0.19 0.27 0.33 0.00 -2.27 0.00 0.00 179.45 177.59 2wc3 h ALA 377 N 1.33 0.70 -0.04 5.00 0.00 -0.76 -1.67 119.26 123.82 2wc3 h ALA 377 Ca 0.25 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 2wc3 h ALA 377 Cb 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2wc3 h ALA 377 CO -0.22 0.18 -0.71 0.45 0.00 0.00 0.00 179.25 178.96 2wc3 h HIS 378 N 0.74 0.29 -0.36 0.00 3.86 -0.74 -2.63 115.15 116.31 2wc3 h HIS 378 Ca 0.20 -0.13 -0.17 0.00 -1.16 0.00 0.00 60.37 59.11 2wc3 h HIS 378 Cb -0.02 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 2wc3 h HIS 378 CO -0.02 0.85 -0.43 0.82 0.86 0.00 0.00 177.93 180.00 2wc3 h ILE 379 N 0.14 1.27 -0.70 2.45 2.04 -0.99 -1.79 117.51 119.94 2wc3 h ILE 379 Ca -0.02 -1.61 0.09 0.00 1.00 0.00 0.00 64.86 64.32 2wc3 h ILE 379 Cb 1.26 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 38.72 2wc3 h ILE 379 CO 0.11 0.53 0.35 1.23 0.00 0.00 0.00 178.15 180.37 2wc3 h GLY 380 N 0.77 1.05 1.64 5.37 0.00 -1.16 -1.23 103.07 109.51 2wc3 h GLY 380 Ca 0.05 -0.22 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 2wc3 h GLY 380 CO 0.10 0.06 -0.40 1.46 0.00 0.00 0.00 176.54 177.76 2wc3 h GLN 381 N 0.60 0.40 -0.58 4.80 1.08 -1.24 -2.75 115.11 117.43 2wc3 h GLN 381 Ca 0.34 -0.20 -0.03 0.00 -1.45 0.00 0.00 58.65 57.31 2wc3 h GLN 381 Cb 0.35 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.76 2wc3 h GLN 381 CO -0.26 0.74 0.22 0.00 -0.95 0.00 0.00 178.83 178.57 2wc3 h ALA 382 N 1.24 1.30 -0.62 3.87 0.00 -0.48 -1.72 119.26 122.86 2wc3 h ALA 382 Ca 0.03 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2wc3 h ALA 382 Cb 0.85 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2wc3 h ALA 382 CO 0.07 0.52 0.12 2.35 0.00 0.00 0.00 179.25 182.31 2wc3 h TRP 383 N 0.83 1.06 -0.35 0.00 7.01 -1.09 -1.14 115.95 122.26 2wc3 h TRP 383 Ca 0.20 -0.14 0.00 0.00 2.11 0.00 0.00 58.89 61.06 2wc3 h TRP 383 Cb 0.18 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 26.93 2wc3 h TRP 383 CO 0.01 0.90 0.23 -0.22 -2.79 0.00 0.00 178.44 176.57 2wc3 h LYS 384 N 0.91 0.46 -0.85 2.65 3.64 -1.13 0.43 116.57 122.68 2wc3 h LYS 384 Ca 0.19 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.63 2wc3 h LYS 384 Cb 0.39 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.04 2wc3 h LYS 384 CO 0.01 0.30 0.50 0.00 -2.27 0.00 0.00 179.45 177.99 2wc3 h ALA 385 N 1.13 1.22 -0.54 5.00 0.00 -0.92 -1.48 119.26 123.68 2wc3 h ALA 385 Ca 0.13 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2wc3 h ALA 385 Cb -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2wc3 h ALA 385 CO -0.03 0.14 0.23 0.82 0.00 0.00 0.00 179.25 180.41 2wc3 h ILE 386 N 0.85 1.21 0.00 0.00 2.04 0.10 -1.98 117.51 119.73 2wc3 h ILE 386 Ca 0.41 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 2wc3 h ILE 386 Cb 0.35 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2wc3 h ILE 386 CO -0.24 0.25 -0.01 1.56 0.00 0.00 0.00 178.15 179.71 2wc3 h GLN 387 N 0.73 0.00 -0.61 2.37 1.08 -0.00 0.66 115.11 119.34 2wc3 h GLN 387 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2wc3 h GLN 387 Cb 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2wc3 h GLN 387 CO -0.02 0.01 0.00 0.39 -0.95 0.00 0.00 178.83 178.27 2wc3 n GLU 388 N -4.09 2.93 -0.23 1.46 1.02 -0.68 -4.93 120.64 116.12 2wc3 n GLU 388 Ca -0.03 -2.09 0.00 0.00 -0.02 0.00 0.00 57.16 55.02 2wc3 n GLU 388 Cb 0.10 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 2wc3 n GLU 388 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wc3 n GLY 389 N 0.97 0.79 3.73 0.62 0.00 0.22 -5.06 105.19 106.48 2wc3 n GLY 389 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2wc3 n GLY 389 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wc3 s VAL 390 N -2.16 3.49 -1.31 1.61 1.01 -0.94 -4.92 120.40 117.18 2wc3 s VAL 390 Ca 0.00 1.21 -0.07 0.00 0.00 0.00 0.00 61.98 63.12 2wc3 s VAL 390 Cb 0.00 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.64 2wc3 s VAL 390 CO 0.00 0.17 2.66 -0.81 0.00 0.00 0.00 175.10 177.12 2wc3 n PRO 391 N 2.84 4.05 -2.50 2.72 -0.04 -1.26 -4.53 135.00 136.28 2wc3 n PRO 391 Ca 0.06 -2.85 -0.43 0.00 -0.04 0.00 0.00 63.50 60.24 2wc3 n PRO 391 Cb 0.44 -2.63 -0.02 0.00 -0.04 0.00 0.00 33.50 31.25 2wc3 n PRO 391 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2wc3 s LEU 392 N -1.26 4.12 -0.00 1.53 2.96 -1.26 -1.93 118.68 122.83 2wc3 s LEU 392 Ca 0.60 1.53 0.14 0.00 -0.22 0.00 0.00 54.13 56.18 2wc3 s LEU 392 Cb 0.20 -3.54 -0.16 0.00 0.50 0.00 0.00 46.19 43.19 2wc3 s LEU 392 CO -0.09 -0.77 0.53 0.29 -1.32 0.00 0.00 176.35 174.99 2wc3 n LYS 393 N 6.61 2.08 -3.71 1.98 4.76 0.47 -4.95 118.16 125.39 2wc3 n LYS 393 Ca 0.13 -0.02 -0.03 0.00 -2.87 0.00 0.00 58.31 55.52 2wc3 n LYS 393 Cb 0.45 -1.18 -0.01 0.00 -1.84 0.00 0.00 35.03 32.45 2wc3 n LYS 393 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2wc3 s GLY 394 N -2.55 -0.28 -0.14 0.72 0.00 -1.26 -1.03 107.32 102.78 2wc3 s GLY 394 Ca 0.03 0.31 -0.07 0.00 0.00 0.00 0.00 44.72 44.99 2wc3 s GLY 394 CO 0.57 0.06 0.33 -0.47 0.00 0.00 0.00 173.10 173.59 2wc3 s TYR 395 N -3.13 -0.50 -0.16 1.90 6.14 0.69 -2.07 117.35 120.22 2wc3 s TYR 395 Ca 0.12 1.09 0.01 0.00 0.64 0.00 0.00 57.07 58.93 2wc3 s TYR 395 Cb -0.00 0.15 0.01 0.00 0.42 0.00 0.00 41.96 42.54 2wc3 s TYR 395 CO 0.00 -0.32 -0.19 -0.06 0.64 0.00 0.00 175.55 175.63 2wc3 s PHE 396 N 1.60 2.74 -0.08 4.97 0.40 -0.12 -0.68 117.98 126.80 2wc3 s PHE 396 Ca -0.07 -1.28 -0.28 0.00 -0.60 0.00 0.00 56.93 54.70 2wc3 s PHE 396 Cb -0.10 -1.87 -0.02 0.00 0.51 0.00 0.00 43.02 41.54 2wc3 s PHE 396 CO -0.11 -0.60 0.91 0.08 0.70 0.00 0.00 175.22 176.21 2wc3 s VAL 397 N 0.93 4.87 -0.33 -0.44 1.01 -0.90 -2.27 120.40 123.26 2wc3 s VAL 397 Ca -0.04 1.86 -0.17 0.00 0.00 0.00 0.00 61.98 63.63 2wc3 s VAL 397 Cb -0.15 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.99 2wc3 s VAL 397 CO -0.03 0.09 0.47 0.86 0.00 0.00 0.00 175.10 176.49 2wc3 s TRP 398 N 1.57 3.20 0.26 5.22 -0.11 -0.27 -1.26 118.94 127.55 2wc3 s TRP 398 Ca 0.45 0.19 0.02 0.00 1.22 0.00 0.00 56.10 57.98 2wc3 s TRP 398 Cb -0.19 -2.83 -0.05 0.00 -1.50 0.00 0.00 33.47 28.90 2wc3 s TRP 398 CO 0.19 -0.47 0.07 0.45 -4.62 0.00 0.00 176.95 172.58 2wc3 s SER 399 N 1.73 1.41 0.14 5.86 0.15 0.04 -4.03 113.70 119.00 2wc3 s SER 399 Ca 0.17 -1.35 -0.21 0.00 0.70 0.00 0.00 55.95 55.26 2wc3 s SER 399 Cb -0.16 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 2wc3 s SER 399 CO 0.12 -0.68 1.67 0.25 1.20 0.00 0.00 173.24 175.80 2wc3 h LEU 400 N 2.38 -0.44 -8.77 3.45 5.85 -1.65 -1.87 115.31 114.27 2wc3 h LEU 400 Ca -0.38 0.09 -0.65 0.00 0.84 0.00 0.00 57.88 57.78 2wc3 h LEU 400 Cb 1.24 0.23 -0.24 0.00 0.37 0.00 0.00 40.66 42.26 2wc3 h LEU 400 CO 0.63 -0.17 -0.86 -0.76 -0.34 0.00 0.00 178.44 176.93 2wc3 s LEU 401 N -10.46 2.26 0.49 2.25 1.43 -1.26 -1.35 118.68 112.04 2wc3 s LEU 401 Ca -0.14 -0.67 -0.23 0.00 -1.03 0.00 0.00 54.13 52.06 2wc3 s LEU 401 Cb 0.11 -1.13 -0.08 0.00 0.03 0.00 0.00 46.19 45.12 2wc3 s LEU 401 CO 0.68 0.17 1.18 0.47 0.23 0.00 0.00 176.35 179.09 2wc3 n ASP 402 N 1.29 2.00 -2.11 2.29 8.00 -0.87 -3.94 116.55 123.21 2wc3 n ASP 402 Ca -0.18 1.00 -0.04 0.00 0.71 0.00 0.00 54.79 56.28 2wc3 n ASP 402 Cb 0.53 -1.47 0.02 0.00 -0.02 0.00 0.00 41.12 40.17 2wc3 n ASP 402 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2wc3 n ASN 403 N -0.22 -1.28 -4.59 -2.24 6.94 -1.26 -4.74 115.26 107.86 2wc3 n ASN 403 Ca 0.09 -1.85 -0.42 0.00 -0.02 0.00 0.00 54.58 52.38 2wc3 n ASN 403 Cb 0.42 2.13 -0.03 0.00 -2.36 0.00 0.00 39.78 39.95 2wc3 n ASN 403 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2wc3 s PHE 404 N -4.72 1.86 -1.14 -2.53 5.36 -0.32 -4.63 117.98 111.87 2wc3 s PHE 404 Ca 0.10 0.65 -0.03 0.00 -0.96 0.00 0.00 56.93 56.69 2wc3 s PHE 404 Cb -0.03 -4.15 0.25 0.00 -0.34 0.00 0.00 43.02 38.76 2wc3 s PHE 404 CO 0.06 -2.75 1.92 -1.91 -1.46 0.00 0.00 175.22 171.09 2wc3 n GLU 405 N 8.48 4.89 0.00 10.12 4.07 -0.35 -4.62 120.64 143.22 2wc3 n GLU 405 Ca 0.22 -4.22 0.00 0.00 -0.06 0.00 0.00 57.16 53.10 2wc3 n GLU 405 Cb 0.48 -2.56 0.00 0.00 -0.06 0.00 0.00 31.44 29.29 2wc3 n GLU 405 CO 0.00 0.00 0.00 0.91 -0.06 0.00 0.00 177.13 177.98 2wc3 n TRP 406 N 1.02 0.00 0.27 4.31 7.02 -1.26 -1.43 117.44 127.36 2wc3 n TRP 406 Ca 0.47 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 57.07 2wc3 n TRP 406 Cb 0.28 0.00 0.75 0.00 -2.42 0.00 0.00 31.31 29.92 2wc3 n TRP 406 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2wc3 h ALA 407 N -0.51 1.53 0.00 6.99 0.00 -1.86 -1.60 119.26 123.82 2wc3 h ALA 407 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2wc3 h ALA 407 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2wc3 h ALA 407 CO 0.00 0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.73 2wc3 n GLU 408 N -3.95 0.09 0.00 0.00 -0.58 -0.52 0.57 120.64 116.26 2wc3 n GLU 408 Ca -0.03 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 2wc3 n GLU 408 Cb 0.16 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 2wc3 n GLU 408 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wc3 n GLY 409 N 0.56 1.25 0.01 0.62 0.00 -0.60 -3.16 105.19 103.87 2wc3 n GLY 409 Ca 0.04 -0.57 0.11 0.00 0.00 0.00 0.00 46.02 45.60 2wc3 n GLY 409 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wc3 n TYR 410 N 1.62 0.00 0.69 1.61 4.01 -1.26 -1.22 117.16 122.61 2wc3 n TYR 410 Ca 0.00 -0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 2wc3 n TYR 410 Cb 0.00 0.00 0.46 0.00 -0.31 0.00 0.00 39.34 39.49 2wc3 n TYR 410 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2wc3 n SER 411 N -0.82 0.60 -4.32 7.72 3.41 -1.19 -4.56 113.62 114.46 2wc3 n SER 411 Ca 0.16 0.56 -0.35 0.00 -0.26 0.00 0.00 58.87 58.98 2wc3 n SER 411 Cb 0.08 -0.72 -0.14 0.00 -0.26 0.00 0.00 64.21 63.17 2wc3 n SER 411 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2wc3 s LYS 412 N -3.09 3.37 -0.35 4.33 -0.14 -1.26 -5.06 119.74 117.54 2wc3 s LYS 412 Ca 0.11 -0.63 -0.13 0.00 -1.36 0.00 0.00 55.97 53.96 2wc3 s LYS 412 Cb 0.13 -3.06 -0.00 0.00 -1.68 0.00 0.00 37.83 33.23 2wc3 s LYS 412 CO 0.56 -0.22 0.24 1.03 -0.76 0.00 0.00 175.35 176.20 2wc3 s ARG 413 N 1.49 3.30 0.00 1.68 0.52 -1.26 -4.60 118.95 120.08 2wc3 s ARG 413 Ca 0.05 -0.78 0.16 0.00 -0.52 0.00 0.00 55.73 54.65 2wc3 s ARG 413 Cb -0.15 -3.80 0.13 0.00 0.52 0.00 0.00 34.95 31.65 2wc3 s ARG 413 CO -0.02 -0.53 1.01 1.19 0.02 0.00 0.00 175.30 176.97 2wc3 n PHE 414 N 5.09 0.00 -1.74 -0.53 3.01 -1.26 -3.39 117.46 118.64 2wc3 n PHE 414 Ca -0.12 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.01 2wc3 n PHE 414 Cb 0.49 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 40.01 2wc3 n PHE 414 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2wc3 s GLY 415 N -1.37 2.16 0.00 1.37 0.00 -1.25 -0.78 107.32 107.45 2wc3 s GLY 415 Ca 0.19 0.56 0.25 0.00 0.00 0.00 0.00 44.72 45.72 2wc3 s GLY 415 CO 0.21 0.92 1.42 0.29 0.00 0.00 0.00 173.10 175.93 2wc3 n ILE 416 N -2.44 0.00 -4.35 0.90 -5.35 -0.70 -4.79 119.36 102.63 2wc3 n ILE 416 Ca 0.10 -0.24 -0.29 0.00 -0.27 0.00 0.00 62.75 62.05 2wc3 n ILE 416 Cb 0.52 0.83 -0.17 0.00 -1.74 0.00 0.00 39.64 39.08 2wc3 n ILE 416 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2wc3 s VAL 417 N -2.32 1.59 0.20 7.28 1.01 -0.45 -0.74 120.40 126.96 2wc3 s VAL 417 Ca 0.26 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 2wc3 s VAL 417 Cb 0.19 -1.46 -0.08 0.00 0.00 0.00 0.00 36.38 35.04 2wc3 s VAL 417 CO 0.47 0.46 1.09 -0.47 0.00 0.00 0.00 175.10 176.65 2wc3 s TYR 418 N 1.12 3.61 -0.19 5.22 6.14 0.14 -2.05 117.35 131.34 2wc3 s TYR 418 Ca -0.03 1.63 -0.01 0.00 0.64 0.00 0.00 57.07 59.30 2wc3 s TYR 418 Cb -0.14 -3.26 0.00 0.00 0.42 0.00 0.00 41.96 38.98 2wc3 s TYR 418 CO -0.04 -0.56 -0.13 0.08 0.64 0.00 0.00 175.55 175.54 2wc3 s VAL 419 N -0.42 2.71 -0.41 3.14 1.01 -1.26 -1.06 120.40 124.11 2wc3 s VAL 419 Ca 0.48 -0.72 -0.22 0.00 0.00 0.00 0.00 61.98 61.51 2wc3 s VAL 419 Cb -0.30 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 33.92 2wc3 s VAL 419 CO 0.36 0.49 0.74 -0.62 0.00 0.00 0.00 175.10 176.06 2wc3 s ASP 420 N 1.26 6.43 0.37 3.32 2.15 -0.59 -4.94 116.67 124.68 2wc3 s ASP 420 Ca 0.03 -0.00 0.19 0.00 0.43 0.00 0.00 52.55 53.20 2wc3 s ASP 420 Cb -0.14 -2.37 0.64 0.00 -0.30 0.00 0.00 42.92 40.75 2wc3 s ASP 420 CO -0.06 -0.80 1.71 1.88 -0.17 0.00 0.00 175.17 177.73 2wc3 h TYR 421 N 8.77 0.00 0.00 -5.34 0.05 -1.95 1.13 116.97 119.63 2wc3 h TYR 421 Ca -0.25 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.53 2wc3 h TYR 421 Cb 1.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.83 2wc3 h TYR 421 CO 0.78 0.38 0.00 0.66 -1.05 0.00 0.00 178.16 178.92 2wc3 h SER 422 N 0.00 0.00 0.00 3.88 4.64 -1.98 -3.31 113.55 116.78 2wc3 h SER 422 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2wc3 h SER 422 Cb 0.94 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2wc3 h SER 422 CO 0.05 0.00 -1.16 0.35 -0.87 0.00 0.00 176.83 175.20 2wc3 n THR 423 N -3.07 0.06 -1.10 2.95 -2.24 -0.92 -4.99 114.28 104.97 2wc3 n THR 423 Ca 0.02 -0.09 -0.04 0.00 -2.27 0.00 0.00 64.05 61.67 2wc3 n THR 423 Cb 0.37 0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.63 2wc3 n THR 423 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wc3 n GLN 424 N -1.75 -1.09 -2.18 -0.78 1.13 0.39 -4.99 117.38 108.10 2wc3 n GLN 424 Ca -0.02 0.48 -0.38 0.00 -1.94 0.00 0.00 57.00 55.14 2wc3 n GLN 424 Cb 0.22 -4.41 -0.01 0.00 0.11 0.00 0.00 30.24 26.16 2wc3 n GLN 424 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2wc3 s LYS 425 N -1.73 3.85 -0.07 -1.09 2.20 -1.21 -4.77 119.74 116.91 2wc3 s LYS 425 Ca 0.00 1.92 -0.02 0.00 -0.36 0.00 0.00 55.97 57.52 2wc3 s LYS 425 Cb 0.00 -2.56 -0.03 0.00 -1.51 0.00 0.00 37.83 33.72 2wc3 s LYS 425 CO 0.00 -0.52 0.01 1.03 -0.36 0.00 0.00 175.35 175.51 2wc3 s ARG 426 N -2.48 2.97 -0.17 4.03 3.00 -1.26 -1.54 118.95 123.51 2wc3 s ARG 426 Ca 0.61 -0.43 -0.02 0.00 0.00 0.00 0.00 55.73 55.89 2wc3 s ARG 426 Cb -0.32 -2.79 0.05 0.00 0.00 0.00 0.00 34.95 31.89 2wc3 s ARG 426 CO 0.40 0.69 0.02 0.42 0.00 0.00 0.00 175.30 176.84 2wc3 s ILE 427 N -0.92 0.54 0.10 1.52 1.01 -0.22 -4.96 121.20 118.26 2wc3 s ILE 427 Ca 0.14 -0.44 -0.33 0.00 0.00 0.00 0.00 60.65 60.03 2wc3 s ILE 427 Cb -0.11 -0.96 -0.12 0.00 0.01 0.00 0.00 42.46 41.27 2wc3 s ILE 427 CO 0.04 -0.10 1.77 0.52 0.00 0.00 0.00 174.94 177.17 2wc3 n VAL 428 N 5.05 0.28 -2.01 2.92 0.31 -1.26 0.25 118.33 123.87 2wc3 n VAL 428 Ca -0.09 -0.05 -0.28 0.00 -0.01 0.00 0.00 64.34 63.91 2wc3 n VAL 428 Cb 0.48 -1.90 0.10 0.00 -0.91 0.00 0.00 33.84 31.61 2wc3 n VAL 428 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2wc3 s LYS 429 N 2.39 1.81 0.53 5.55 1.02 0.09 -4.56 119.74 126.57 2wc3 s LYS 429 Ca 0.83 -0.12 0.23 0.00 0.02 0.00 0.00 55.97 56.93 2wc3 s LYS 429 Cb -0.58 -2.01 1.46 0.00 -0.52 0.00 0.00 37.83 36.18 2wc3 s LYS 429 CO 0.40 -1.62 2.15 -0.44 -0.92 0.00 0.00 175.35 174.92 2wc3 h ASP 430 N -1.00 0.00 -0.03 2.83 5.19 -1.28 -0.78 116.42 121.34 2wc3 h ASP 430 Ca -0.45 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 55.85 2wc3 h ASP 430 Cb 1.31 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.81 2wc3 h ASP 430 CO 0.59 0.05 -0.31 0.77 -3.12 0.00 0.00 179.24 177.23 2wc3 h SER 431 N 0.00 0.50 0.06 6.45 4.64 -1.82 -0.45 113.55 122.94 2wc3 h SER 431 Ca -0.00 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2wc3 h SER 431 Cb 0.12 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2wc3 h SER 431 CO 0.01 0.79 -0.03 1.23 -0.87 0.00 0.00 176.83 177.95 2wc3 h GLY 432 N 1.05 -0.09 0.99 -0.77 0.00 -1.15 0.11 103.07 103.21 2wc3 h GLY 432 Ca 0.05 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 2wc3 h GLY 432 CO 0.06 -0.03 0.23 -0.97 0.00 0.00 0.00 176.54 175.82 2wc3 h TYR 433 N -0.09 0.87 -0.58 5.60 0.05 -1.38 -0.36 116.97 121.07 2wc3 h TYR 433 Ca -0.01 -0.07 0.05 0.00 0.05 0.00 0.00 58.73 58.76 2wc3 h TYR 433 Cb 0.07 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 37.50 2wc3 h TYR 433 CO -0.07 0.70 0.30 2.35 -1.05 0.00 0.00 178.16 180.39 2wc3 h TRP 434 N 0.78 0.55 -0.68 4.88 7.01 -0.95 -2.15 115.95 125.40 2wc3 h TRP 434 Ca 0.19 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.14 2wc3 h TRP 434 Cb 0.20 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.07 2wc3 h TRP 434 CO 0.01 0.26 0.14 -0.92 -2.79 0.00 0.00 178.44 175.14 2wc3 h TYR 435 N 0.57 1.16 -0.98 2.65 3.20 -0.52 -2.07 116.97 120.98 2wc3 h TYR 435 Ca 0.26 -0.15 0.14 0.00 3.14 0.00 0.00 58.73 62.12 2wc3 h TYR 435 Cb 0.17 -0.32 -0.09 0.00 1.54 0.00 0.00 36.73 38.03 2wc3 h TYR 435 CO -0.10 0.96 0.60 1.03 -1.64 0.00 0.00 178.16 179.01 2wc3 h SER 436 N 1.04 0.85 -0.78 -2.11 0.87 -0.49 -1.11 113.55 111.82 2wc3 h SER 436 Ca 0.21 0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.78 2wc3 h SER 436 Cb 0.40 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 2wc3 h SER 436 CO 0.01 0.41 0.27 0.78 -0.53 0.00 0.00 176.83 177.77 2wc3 h ASN 437 N 0.90 1.10 -0.69 6.23 2.35 -0.78 -1.98 115.58 122.72 2wc3 h ASN 437 Ca 0.51 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 56.05 2wc3 h ASN 437 Cb 0.60 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 2wc3 h ASN 437 CO -0.30 1.00 0.35 0.58 -1.65 0.00 0.00 177.43 177.41 2wc3 h VAL 438 N 1.14 1.22 0.95 2.81 2.07 -0.74 -0.68 116.25 123.03 2wc3 h VAL 438 Ca 0.25 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 2wc3 h VAL 438 Cb 0.27 0.35 0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2wc3 h VAL 438 CO -0.01 0.25 -0.48 0.58 0.02 0.00 0.00 177.57 177.93 2wc3 h VAL 439 N 0.95 0.00 -1.01 2.57 2.07 -1.09 0.17 116.25 119.91 2wc3 h VAL 439 Ca 0.24 0.00 0.25 0.00 0.82 0.00 0.00 66.70 68.00 2wc3 h VAL 439 Cb 0.08 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.73 2wc3 h VAL 439 CO -0.03 0.00 0.60 0.50 0.02 0.00 0.00 177.57 178.66 2wc3 h LYS 440 N -1.30 0.56 -0.01 1.57 3.64 -1.29 0.13 116.57 119.85 2wc3 h LYS 440 Ca -0.13 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2wc3 h LYS 440 Cb 1.01 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 2wc3 h LYS 440 CO 0.20 0.37 0.00 0.09 -2.27 0.00 0.00 179.45 177.84 2wc3 n ASN 441 N -4.86 1.06 -4.36 4.20 3.02 -0.27 -4.92 115.26 109.13 2wc3 n ASN 441 Ca 0.27 -1.36 -0.38 0.00 -0.03 0.00 0.00 54.58 53.07 2wc3 n ASN 441 Cb 0.75 -0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.86 2wc3 n ASN 441 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wc3 n ASN 442 N -0.17 -2.24 0.00 6.41 5.15 0.46 -4.77 115.26 120.10 2wc3 n ASN 442 Ca 0.20 -1.13 0.00 0.00 -0.60 0.00 0.00 54.58 53.05 2wc3 n ASN 442 Cb 0.28 -2.18 0.00 0.00 -0.53 0.00 0.00 39.78 37.35 2wc3 n ASN 442 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wc3 n GLY 443 N -1.36 -1.06 3.81 8.20 0.00 -0.36 -0.37 105.19 114.05 2wc3 n GLY 443 Ca 0.05 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 2wc3 n GLY 443 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wc3 s LEU 444 N 0.00 4.39 0.00 0.99 1.43 -0.22 -4.36 118.68 120.91 2wc3 s LEU 444 Ca 0.00 0.79 0.22 0.00 -1.03 0.00 0.00 54.13 54.11 2wc3 s LEU 444 Cb 0.00 -2.49 0.17 0.00 0.03 0.00 0.00 46.19 43.90 2wc3 s LEU 444 CO 0.00 0.25 1.19 -1.84 0.23 0.00 0.00 176.35 176.19