#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wc3 s VAL 3 N 0.00 4.52 -0.32 2.41 0.11 -1.26 -4.42 120.40 121.44 2wc3 s VAL 3 Ca 0.00 1.99 -0.01 0.00 -2.93 0.00 0.00 61.98 61.03 2wc3 s VAL 3 Cb 0.00 -4.28 0.13 0.00 -1.53 0.00 0.00 36.38 30.69 2wc3 s VAL 3 CO 0.00 0.34 0.22 -0.54 -3.33 0.00 0.00 175.10 171.79 2wc3 s LYS 4 N -0.09 0.39 -0.12 1.54 1.02 0.13 -5.00 119.74 117.61 2wc3 s LYS 4 Ca 0.45 -0.74 -0.13 0.00 0.02 0.00 0.00 55.97 55.57 2wc3 s LYS 4 Cb -0.23 -1.04 -0.05 0.00 -0.52 0.00 0.00 37.83 35.99 2wc3 s LYS 4 CO 0.29 -1.11 0.29 0.15 -0.92 0.00 0.00 175.35 174.05 2wc3 s LYS 5 N 1.74 4.03 0.84 1.68 3.01 -1.26 -1.35 119.74 128.43 2wc3 s LYS 5 Ca 0.13 0.12 -0.12 0.00 -1.01 0.00 0.00 55.97 55.08 2wc3 s LYS 5 Cb -0.18 -3.34 0.09 0.00 -1.01 0.00 0.00 37.83 33.40 2wc3 s LYS 5 CO -0.20 0.44 1.17 -0.06 0.51 0.00 0.00 175.35 177.21 2wc3 s PHE 6 N -0.14 2.84 0.62 3.18 0.40 -0.38 -5.02 117.98 119.49 2wc3 s PHE 6 Ca 0.18 0.77 -0.18 0.00 -0.60 0.00 0.00 56.93 57.10 2wc3 s PHE 6 Cb -0.14 -3.48 -0.02 0.00 0.51 0.00 0.00 43.02 39.90 2wc3 s PHE 6 CO 0.06 -1.93 1.20 -2.14 0.70 0.00 0.00 175.22 173.11 2wc3 s PRO 7 N -5.51 2.80 0.23 0.24 0.02 -1.26 -4.94 135.00 126.57 2wc3 s PRO 7 Ca 0.62 1.79 -0.31 0.00 0.02 0.00 0.00 61.00 63.12 2wc3 s PRO 7 Cb -0.12 -1.91 -0.14 0.00 0.02 0.00 0.00 34.50 32.35 2wc3 s PRO 7 CO 0.50 -1.33 1.24 -1.91 -0.33 0.00 0.00 177.00 175.17 2wc3 n GLU 8 N -1.86 1.57 -0.37 5.54 4.07 -1.26 -1.56 120.64 126.77 2wc3 n GLU 8 Ca 0.13 0.56 0.00 0.00 -0.06 0.00 0.00 57.16 57.79 2wc3 n GLU 8 Cb 0.50 -2.10 0.00 0.00 -0.06 0.00 0.00 31.44 29.78 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 1.87 1.82 3.62 8.31 0.00 -1.26 -5.00 105.19 114.55 2wc3 n GLY 9 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 1.52 -3.58 1.61 7.35 -0.60 -4.91 117.46 116.85 2wc3 n PHE 10 Ca 0.00 0.66 -0.39 0.00 -0.76 0.00 0.00 57.45 56.96 2wc3 n PHE 10 Cb 0.00 -2.29 -0.11 0.00 0.35 0.00 0.00 39.48 37.43 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 0.13 4.20 -0.25 -2.13 2.96 -0.44 -4.98 118.68 118.17 2wc3 s LEU 11 Ca 0.59 -0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 54.18 2wc3 s LEU 11 Cb -0.68 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 43.86 2wc3 s LEU 11 CO 0.60 -0.13 0.13 0.26 -1.32 0.00 0.00 176.35 175.89 2wc3 s TRP 12 N 1.73 3.22 0.39 5.38 0.52 -1.26 -0.75 118.94 128.16 2wc3 s TRP 12 Ca 0.06 0.01 0.06 0.00 0.02 0.00 0.00 56.10 56.25 2wc3 s TRP 12 Cb -0.17 -2.27 -0.02 0.00 -1.15 0.00 0.00 33.47 29.86 2wc3 s TRP 12 CO 0.10 -0.10 0.20 0.20 0.02 0.00 0.00 176.95 177.38 2wc3 s GLY 13 N 1.32 2.56 0.08 0.98 0.00 0.49 -1.75 107.32 111.00 2wc3 s GLY 13 Ca 0.06 -1.55 0.04 0.00 0.00 0.00 0.00 44.72 43.28 2wc3 s GLY 13 CO 0.06 -1.68 -0.11 -1.34 0.00 0.00 0.00 173.10 170.03 2wc3 s VAL 14 N -3.28 0.92 0.15 1.40 -7.23 -0.99 -1.19 120.40 110.17 2wc3 s VAL 14 Ca 0.30 -1.39 0.09 0.00 -1.81 0.00 0.00 61.98 59.17 2wc3 s VAL 14 Cb 0.02 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 2wc3 s VAL 14 CO 0.21 -0.40 -0.20 0.00 -0.31 0.00 0.00 175.10 174.40 2wc3 s ALA 15 N -1.78 2.07 0.28 1.32 0.00 -0.22 -1.25 121.76 122.19 2wc3 s ALA 15 Ca -0.01 -1.46 -0.02 0.00 0.00 0.00 0.00 51.96 50.48 2wc3 s ALA 15 Cb -0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 2wc3 s ALA 15 CO 0.01 0.31 0.33 0.95 0.00 0.00 0.00 175.76 177.37 2wc3 s THR 16 N -1.72 0.00 0.04 0.00 -4.23 -0.40 -2.49 115.64 106.83 2wc3 s THR 16 Ca 0.14 -1.77 0.02 0.00 -1.18 0.00 0.00 61.69 58.90 2wc3 s THR 16 Cb -0.07 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.25 2wc3 s THR 16 CO 0.07 0.00 -0.07 0.00 -0.54 0.00 0.00 174.62 174.08 2wc3 s ALA 17 N -3.63 0.49 0.08 3.99 0.00 -1.26 -3.93 121.76 117.50 2wc3 s ALA 17 Ca 0.34 -0.76 -0.25 0.00 0.00 0.00 0.00 51.96 51.28 2wc3 s ALA 17 Cb 0.02 0.08 -0.16 0.00 0.00 0.00 0.00 23.12 23.06 2wc3 s ALA 17 CO 0.17 -0.07 1.70 0.66 0.00 0.00 0.00 175.76 178.23 2wc3 h SER 18 N 4.43 -0.17 0.21 0.00 4.64 -1.89 -2.06 113.55 118.71 2wc3 h SER 18 Ca -0.35 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.94 2wc3 h SER 18 Cb 1.20 0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2wc3 h SER 18 CO 0.42 -0.11 -0.13 0.22 -0.87 0.00 0.00 176.83 176.36 2wc3 h TYR 19 N -0.21 0.00 0.00 4.77 3.20 -1.94 -0.09 116.97 122.70 2wc3 h TYR 19 Ca -0.02 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.69 2wc3 h TYR 19 Cb 0.16 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 2wc3 h TYR 19 CO -0.06 0.13 -0.77 1.96 -1.64 0.00 0.00 178.16 177.78 2wc3 h GLN 20 N 0.00 0.00 0.00 1.82 4.20 -1.64 -3.38 115.11 116.11 2wc3 h GLN 20 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2wc3 h GLN 20 Cb 0.28 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 2wc3 h GLN 20 CO 0.02 0.77 -1.13 0.44 -0.67 0.00 0.00 178.83 178.26 2wc3 n ILE 21 N -3.51 0.08 -0.05 2.54 -5.35 -1.05 -1.58 119.36 110.45 2wc3 n ILE 21 Ca -0.00 -0.07 -0.14 0.00 -0.27 0.00 0.00 62.75 62.26 2wc3 n ILE 21 Cb 0.77 -0.36 -0.08 0.00 -1.74 0.00 0.00 39.64 38.24 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 0.44 0.00 6.28 5.08 -1.20 -0.52 114.58 124.66 2wc3 h GLU 22 Ca -0.03 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.04 2wc3 h GLU 22 Cb 0.69 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 2wc3 h GLU 22 CO 0.00 0.91 -0.02 0.41 -1.00 0.00 0.00 179.01 179.31 2wc3 n GLY 23 N 0.48 -1.19 4.17 -3.84 0.00 -1.20 -1.31 105.19 102.31 2wc3 n GLY 23 Ca -0.07 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.30 -0.21 0.25 1.61 7.64 -0.41 -4.71 113.62 115.50 2wc3 n SER 24 Ca 0.00 -1.20 0.09 0.00 1.01 0.00 0.00 58.87 58.77 2wc3 n SER 24 Cb 0.02 -2.03 0.64 0.00 -1.01 0.00 0.00 64.21 61.83 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 -1.91 0.00 -0.49 1.43 0.13 -1.83 -1.34 132.00 127.98 2wc3 h PRO 25 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2wc3 h PRO 25 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2wc3 h PRO 25 CO 0.66 0.12 0.00 1.28 -0.23 0.00 0.00 178.00 179.83 2wc3 n LEU 26 N -4.07 3.80 -4.73 1.56 4.77 -1.26 -4.70 117.00 112.37 2wc3 n LEU 26 Ca -0.02 -2.30 -0.40 0.00 -0.03 0.00 0.00 56.01 53.26 2wc3 n LEU 26 Cb 0.20 -0.43 0.02 0.00 -2.33 0.00 0.00 43.42 40.89 2wc3 n LEU 26 CO 0.33 0.79 0.96 0.00 -1.33 0.00 0.00 177.39 178.14 2wc3 n ALA 27 N 0.72 1.59 -3.74 -1.18 0.00 -0.51 -3.75 120.51 113.63 2wc3 n ALA 27 Ca 0.20 0.23 -0.23 0.00 0.00 0.00 0.00 53.44 53.64 2wc3 n ALA 27 Cb 0.67 -2.32 0.03 0.00 0.00 0.00 0.00 19.45 17.83 2wc3 n ALA 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wc3 n ASP 28 N -0.12 -1.45 0.00 0.00 8.00 -1.26 -1.74 116.55 119.97 2wc3 n ASP 28 Ca 0.07 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.74 2wc3 n ASP 28 Cb 0.41 -3.96 0.00 0.00 -0.02 0.00 0.00 41.12 37.56 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 -1.62 0.48 3.76 0.44 0.00 -1.25 -4.72 105.19 102.28 2wc3 n GLY 29 Ca -0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.18 3.19 0.64 4.61 0.00 -0.71 -4.76 121.76 122.55 2wc3 s ALA 30 Ca 0.00 1.42 -0.11 0.00 0.00 0.00 0.00 51.96 53.27 2wc3 s ALA 30 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 2wc3 s ALA 30 CO 0.00 -1.17 1.04 0.20 0.00 0.00 0.00 175.76 175.83 2wc3 s GLY 31 N -0.60 1.67 0.57 0.00 0.00 -0.73 -4.69 107.32 103.53 2wc3 s GLY 31 Ca 0.62 -0.03 -0.20 0.00 0.00 0.00 0.00 44.72 45.10 2wc3 s GLY 31 CO 0.54 0.25 1.29 1.06 0.00 0.00 0.00 173.10 176.24 2wc3 s MET 32 N -5.12 3.05 0.48 2.90 -1.94 -1.26 -4.64 119.30 112.77 2wc3 s MET 32 Ca 0.56 2.05 0.08 0.00 -1.71 0.00 0.00 55.69 56.67 2wc3 s MET 32 Cb -0.12 -2.11 0.03 0.00 2.01 0.00 0.00 34.83 34.64 2wc3 s MET 32 CO 0.54 -1.21 0.56 -1.54 -0.01 0.00 0.00 175.02 173.36 2wc3 s SER 33 N -1.24 5.18 0.44 3.03 1.04 -1.26 -0.46 113.70 120.42 2wc3 s SER 33 Ca 0.74 -0.76 0.28 0.00 0.48 0.00 0.00 55.95 56.70 2wc3 s SER 33 Cb -0.36 -0.18 0.96 0.00 0.10 0.00 0.00 66.02 66.53 2wc3 s SER 33 CO 0.41 -0.96 1.82 0.16 0.98 0.00 0.00 173.24 175.65 2wc3 h ILE 34 N 0.62 0.00 0.12 -1.02 3.07 -0.93 -2.93 117.51 116.45 2wc3 h ILE 34 Ca -0.37 -0.60 -0.27 0.00 1.55 0.00 0.00 64.86 65.16 2wc3 h ILE 34 Cb 1.28 1.56 0.00 0.00 -0.27 0.00 0.00 36.82 39.40 2wc3 h ILE 34 CO 0.49 0.00 -1.26 -0.50 -1.05 0.00 0.00 178.15 175.83 2wc3 h TRP 35 N 0.00 0.47 -0.07 0.16 4.06 -1.83 0.19 115.95 118.92 2wc3 h TRP 35 Ca 0.00 -0.34 0.04 0.00 2.06 0.00 0.00 58.89 60.65 2wc3 h TRP 35 Cb 0.65 -0.02 -0.06 0.00 -1.00 0.00 0.00 29.16 28.74 2wc3 h TRP 35 CO 0.00 1.28 -0.29 1.25 -3.56 0.00 0.00 178.44 177.12 2wc3 h HIS 36 N 0.07 -0.79 -0.11 0.49 2.76 -1.93 -0.91 115.15 114.72 2wc3 h HIS 36 Ca -0.14 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 57.91 2wc3 h HIS 36 Cb 1.97 0.36 -0.01 0.00 1.55 0.00 0.00 27.41 31.28 2wc3 h HIS 36 CO 0.06 -0.38 -0.60 1.79 -1.30 0.00 0.00 177.93 177.51 2wc3 h THR 37 N -0.40 1.36 -0.28 6.26 1.35 -1.51 -1.34 112.91 118.35 2wc3 h THR 37 Ca 0.08 -1.93 -0.05 0.00 -0.55 0.00 0.00 66.41 63.97 2wc3 h THR 37 Cb 0.52 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.86 2wc3 h THR 37 CO -0.30 0.58 -0.00 0.15 -0.25 0.00 0.00 175.52 175.70 2wc3 h PHE 38 N 0.28 0.55 0.00 4.73 3.57 -0.92 -2.72 116.94 122.42 2wc3 h PHE 38 Ca -0.00 -0.10 -0.05 0.00 3.53 0.00 0.00 57.97 61.35 2wc3 h PHE 38 Cb 1.12 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 2wc3 h PHE 38 CO 0.03 0.65 -0.23 0.66 -2.23 0.00 0.00 178.31 177.19 2wc3 h SER 39 N 0.29 0.00 0.00 0.41 4.64 -1.12 -2.52 113.55 115.26 2wc3 h SER 39 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2wc3 h SER 39 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2wc3 h SER 39 CO 0.02 0.23 0.00 1.41 -0.87 0.00 0.00 176.83 177.62 2wc3 n HIS 40 N -3.17 0.00 -3.26 4.77 8.25 -0.51 -4.72 115.22 116.58 2wc3 n HIS 40 Ca 0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.09 2wc3 n HIS 40 Cb 0.61 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.65 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 -2.00 5.10 0.37 1.59 2.01 -0.95 -5.05 115.64 116.71 2wc3 s THR 41 Ca 0.38 0.86 -0.26 0.00 0.31 0.00 0.00 61.69 62.98 2wc3 s THR 41 Cb 0.18 -3.81 -0.12 0.00 0.01 0.00 0.00 72.50 68.75 2wc3 s THR 41 CO 0.29 0.13 1.11 -2.65 -0.69 0.00 0.00 174.62 172.81 2wc3 n PRO 42 N 5.20 1.61 0.00 4.92 -0.02 -1.26 -2.26 135.00 143.19 2wc3 n PRO 42 Ca -0.05 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2wc3 n PRO 42 Cb 0.50 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 1.05 3.25 0.07 -1.23 0.00 -1.26 -4.90 105.19 102.16 2wc3 n GLY 43 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 0.04 -4.04 1.61 2.35 -1.72 -3.46 115.58 110.36 2wc3 h ASN 44 Ca 0.00 -0.05 -0.49 0.00 -0.55 0.00 0.00 56.30 55.22 2wc3 h ASN 44 Cb 0.00 -0.01 -0.30 0.00 0.05 0.00 0.00 38.32 38.06 2wc3 h ASN 44 CO 0.00 1.04 -0.81 -0.69 -1.65 0.00 0.00 177.43 175.32 2wc3 s VAL 45 N -2.70 1.09 0.13 2.81 1.01 -1.26 -4.79 120.40 116.68 2wc3 s VAL 45 Ca 0.00 -0.56 -0.35 0.00 0.00 0.00 0.00 61.98 61.07 2wc3 s VAL 45 Cb 0.10 -0.93 -0.16 0.00 0.00 0.00 0.00 36.38 35.38 2wc3 s VAL 45 CO 0.83 0.32 1.25 1.17 0.00 0.00 0.00 175.10 178.66 2wc3 n LYS 46 N 2.97 1.13 -0.86 2.72 4.81 -0.35 -1.24 118.16 127.34 2wc3 n LYS 46 Ca -0.16 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 2wc3 n LYS 46 Cb 0.54 -1.97 0.00 0.00 0.02 0.00 0.00 35.03 33.62 2wc3 n LYS 46 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2wc3 n ASN 47 N 2.26 -1.86 -0.99 3.14 5.15 -1.26 -1.96 115.26 119.75 2wc3 n ASN 47 Ca 0.17 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.03 2wc3 n ASN 47 Cb 0.22 -1.48 -0.04 0.00 -0.53 0.00 0.00 39.78 37.94 2wc3 n ASN 47 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wc3 n GLY 48 N -1.63 0.88 3.76 8.20 0.00 -0.37 -4.98 105.19 111.05 2wc3 n GLY 48 Ca 0.00 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.77 5.80 0.23 1.61 1.01 -0.83 -5.01 116.67 116.71 2wc3 s ASP 49 Ca 0.00 2.63 0.02 0.00 0.71 0.00 0.00 52.55 55.92 2wc3 s ASP 49 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 2wc3 s ASP 49 CO 0.00 -1.20 0.04 0.42 0.21 0.00 0.00 175.17 174.64 2wc3 s THR 50 N -1.35 0.80 -0.65 -1.27 -4.23 -1.26 -4.80 115.64 102.88 2wc3 s THR 50 Ca 0.65 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 59.19 2wc3 s THR 50 Cb -0.37 -2.42 0.24 0.00 1.34 0.00 0.00 72.50 71.29 2wc3 s THR 50 CO 0.45 -0.23 0.95 0.61 -0.54 0.00 0.00 174.62 175.86 2wc3 n GLY 51 N -0.41 2.10 0.33 3.99 0.00 -1.26 -4.52 105.19 105.42 2wc3 n GLY 51 Ca -0.04 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 1.03 0.58 0.00 1.61 3.32 -1.94 -3.29 116.42 117.73 2wc3 h ASP 52 Ca 0.04 0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 2wc3 h ASP 52 Cb 1.07 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 2wc3 h ASP 52 CO 0.18 0.17 -1.18 0.52 -1.72 0.00 0.00 179.24 177.21 2wc3 n VAL 53 N -4.89 0.45 0.00 -1.35 0.31 -1.26 -1.29 118.33 110.31 2wc3 n VAL 53 Ca 0.22 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 2wc3 n VAL 53 Cb 0.57 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 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 -3.32 0.00 -0.24 3.52 0.00 -1.26 -0.34 120.51 118.86 2wc3 n ALA 54 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2wc3 n ALA 54 Cb 0.52 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.27 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 1.62 -4.87 0.26 0.00 2.03 0.54 -4.82 116.55 111.30 2wc3 n ASP 56 Ca 0.23 0.07 0.10 0.00 0.52 0.00 0.00 54.79 55.71 2wc3 n ASP 56 Cb 0.62 -4.08 0.69 0.00 -0.72 0.00 0.00 41.12 37.63 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 -0.09 0.00 -0.59 -0.67 -0.00 -1.14 -0.85 115.15 111.82 2wc3 h HIS 57 Ca -0.40 0.00 0.12 0.00 -0.00 0.00 0.00 60.37 60.09 2wc3 h HIS 57 Cb 1.29 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.67 2wc3 h HIS 57 CO 0.63 0.06 0.40 -0.92 -0.00 0.00 0.00 177.93 178.10 2wc3 h TYR 58 N 0.00 0.32 0.00 5.26 3.20 -1.43 0.46 116.97 124.78 2wc3 h TYR 58 Ca -0.00 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 2wc3 h TYR 58 Cb 0.11 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 2wc3 h TYR 58 CO 0.00 0.14 -2.03 0.09 -1.64 0.00 0.00 178.16 174.73 2wc3 n ASN 59 N -4.45 0.00 -0.84 -2.11 3.02 -0.87 -4.62 115.26 105.39 2wc3 n ASN 59 Ca 0.10 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.72 2wc3 n ASN 59 Cb 0.45 1.93 0.20 0.00 -0.61 0.00 0.00 39.78 41.75 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 -2.29 2.88 -0.28 3.52 1.74 -0.38 -4.68 116.66 117.17 2wc3 n ARG 60 Ca -0.06 -2.25 0.10 0.00 -0.77 0.00 0.00 57.85 54.87 2wc3 n ARG 60 Cb 0.61 -1.38 0.24 0.00 -1.02 0.00 0.00 32.46 30.91 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 2.58 0.29 -0.06 -1.55 5.08 -1.17 -1.38 115.95 119.74 2wc3 h TRP 61 Ca 0.00 0.05 -0.00 0.00 1.08 0.00 0.00 58.89 60.02 2wc3 h TRP 61 Cb 0.85 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.01 2wc3 h TRP 61 CO 0.32 -0.17 0.03 -0.22 -1.28 0.00 0.00 178.44 177.12 2wc3 h LYS 62 N 0.22 0.09 -0.78 0.12 3.64 -1.87 -0.68 116.57 117.31 2wc3 h LYS 62 Ca 0.50 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.83 2wc3 h LYS 62 Cb 0.95 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.72 2wc3 h LYS 62 CO -0.62 0.18 0.34 0.93 -2.27 0.00 0.00 179.45 178.01 2wc3 h GLU 63 N -0.01 1.14 -0.75 1.90 3.07 -1.82 0.87 114.58 118.98 2wc3 h GLU 63 Ca 0.02 -0.19 -0.03 0.00 -0.50 0.00 0.00 59.36 58.66 2wc3 h GLU 63 Cb 0.11 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 27.79 2wc3 h GLU 63 CO -0.00 0.90 0.33 -0.44 -1.40 0.00 0.00 179.01 178.40 2wc3 h ASP 64 N 1.12 1.00 -0.51 1.42 3.32 -1.09 -2.06 116.42 119.62 2wc3 h ASP 64 Ca 0.26 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 2wc3 h ASP 64 Cb 0.17 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2wc3 h ASP 64 CO -0.03 0.87 0.04 0.40 -1.72 0.00 0.00 179.24 178.81 2wc3 h ILE 65 N 1.06 1.25 -0.05 0.35 2.04 -0.38 -1.42 117.51 120.36 2wc3 h ILE 65 Ca 0.25 -1.02 0.01 0.00 1.00 0.00 0.00 64.86 65.11 2wc3 h ILE 65 Cb 0.16 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2wc3 h ILE 65 CO -0.03 0.37 0.04 -0.33 0.00 0.00 0.00 178.15 178.21 2wc3 h GLU 66 N 0.86 0.00 -0.38 2.37 5.08 -0.39 -0.03 114.58 122.09 2wc3 h GLU 66 Ca 0.17 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.38 2wc3 h GLU 66 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2wc3 h GLU 66 CO 0.02 0.00 -0.34 0.82 -1.00 0.00 0.00 179.01 178.51 2wc3 h ILE 67 N 0.00 1.28 -0.44 3.13 1.08 -0.59 0.12 117.51 122.09 2wc3 h ILE 67 Ca 0.02 -1.51 0.00 0.00 -0.39 0.00 0.00 64.86 62.98 2wc3 h ILE 67 Cb 0.11 1.38 -0.02 0.00 -3.07 0.00 0.00 36.82 35.22 2wc3 h ILE 67 CO -0.00 0.50 0.28 0.40 -0.69 0.00 0.00 178.15 178.64 2wc3 h ILE 68 N 0.72 1.13 -0.61 -0.67 2.04 -0.63 -2.06 117.51 117.43 2wc3 h ILE 68 Ca 0.07 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.56 2wc3 h ILE 68 Cb 0.93 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 2wc3 h ILE 68 CO 0.09 0.13 0.02 -0.08 0.00 0.00 0.00 178.15 178.30 2wc3 h GLU 69 N 0.59 1.06 -0.80 2.37 4.81 -1.27 -1.42 114.58 119.93 2wc3 h GLU 69 Ca 0.16 -0.33 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 2wc3 h GLU 69 Cb -0.03 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 2wc3 h GLU 69 CO -0.03 1.03 0.46 0.87 -0.73 0.00 0.00 179.01 180.61 2wc3 h LYS 70 N 0.97 1.09 0.00 1.92 1.57 -0.79 -0.76 116.57 120.57 2wc3 h LYS 70 Ca 0.18 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2wc3 h LYS 70 Cb 0.54 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2wc3 h LYS 70 CO 0.03 0.78 0.00 1.28 -0.57 0.00 0.00 179.45 180.97 2wc3 n LEU 71 N -4.36 0.48 -0.12 2.94 4.77 -0.79 -4.90 117.00 115.02 2wc3 n LEU 71 Ca 0.08 0.56 -0.02 0.00 -0.03 0.00 0.00 56.01 56.61 2wc3 n LEU 71 Cb 0.08 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 40.74 2wc3 n LEU 71 CO 0.38 -0.18 -0.01 0.61 -1.33 0.00 0.00 177.39 176.86 2wc3 n GLY 72 N 1.11 0.52 3.75 -0.72 0.00 -0.29 -4.42 105.19 105.14 2wc3 n GLY 72 Ca 0.05 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.02 3.61 -0.50 1.61 1.01 -0.85 -4.86 120.40 118.40 2wc3 s VAL 73 Ca 0.00 1.51 0.22 0.00 0.00 0.00 0.00 61.98 63.72 2wc3 s VAL 73 Cb 0.00 -3.96 -0.16 0.00 0.00 0.00 0.00 36.38 32.25 2wc3 s VAL 73 CO 0.00 0.32 0.90 0.29 0.00 0.00 0.00 175.10 176.61 2wc3 n LYS 74 N 1.70 0.36 -4.04 2.72 4.01 -0.72 -4.71 118.16 117.48 2wc3 n LYS 74 Ca 0.01 -0.03 -0.12 0.00 -0.51 0.00 0.00 58.31 57.65 2wc3 n LYS 74 Cb 0.45 -1.59 -0.12 0.00 -0.51 0.00 0.00 35.03 33.27 2wc3 n LYS 74 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wc3 s ALA 75 N -3.26 0.41 -0.18 7.82 0.00 -0.87 -0.69 121.76 124.99 2wc3 s ALA 75 Ca 0.01 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 2wc3 s ALA 75 Cb 0.14 0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.37 2wc3 s ALA 75 CO 0.83 -0.05 -0.03 -0.47 0.00 0.00 0.00 175.76 176.04 2wc3 s TYR 76 N -1.25 1.68 -0.25 0.00 5.04 -0.12 -2.35 117.35 120.10 2wc3 s TYR 76 Ca -0.10 -1.15 -0.19 0.00 -2.44 0.00 0.00 57.07 53.19 2wc3 s TYR 76 Cb -0.09 -1.30 -0.02 0.00 0.35 0.00 0.00 41.96 40.90 2wc3 s TYR 76 CO -0.00 -0.64 0.56 0.50 -1.34 0.00 0.00 175.55 174.63 2wc3 s ARG 77 N 1.64 4.09 0.11 4.97 3.52 -0.38 -0.70 118.95 132.21 2wc3 s ARG 77 Ca -0.01 0.41 -0.04 0.00 -0.13 0.00 0.00 55.73 55.96 2wc3 s ARG 77 Cb -0.16 -3.64 -0.02 0.00 -1.56 0.00 0.00 34.95 29.56 2wc3 s ARG 77 CO -0.07 -0.36 0.12 -0.59 -0.81 0.00 0.00 175.30 173.59 2wc3 s PHE 78 N 2.32 0.54 0.32 5.12 -0.71 -0.08 -1.28 117.98 124.21 2wc3 s PHE 78 Ca 0.23 -0.96 0.10 0.00 -1.04 0.00 0.00 56.93 55.26 2wc3 s PHE 78 Cb -0.16 -0.28 -0.05 0.00 -1.21 0.00 0.00 43.02 41.33 2wc3 s PHE 78 CO 0.09 -0.54 -0.03 -1.54 -1.34 0.00 0.00 175.22 171.86 2wc3 s SER 79 N -2.97 4.14 -0.18 1.98 1.04 -1.25 -0.91 113.70 115.56 2wc3 s SER 79 Ca 0.15 -0.93 -0.04 0.00 0.48 0.00 0.00 55.95 55.60 2wc3 s SER 79 Cb 0.06 -0.55 -0.03 0.00 0.10 0.00 0.00 66.02 65.60 2wc3 s SER 79 CO -0.04 -0.14 -0.01 -0.63 0.98 0.00 0.00 173.24 173.40 2wc3 s ILE 80 N -2.48 3.96 -0.50 -1.02 1.01 -0.65 -4.28 121.20 117.24 2wc3 s ILE 80 Ca 0.33 -0.32 -0.27 0.00 0.00 0.00 0.00 60.65 60.39 2wc3 s ILE 80 Cb -0.02 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 2wc3 s ILE 80 CO 0.19 0.46 2.01 -0.55 0.00 0.00 0.00 174.94 177.04 2wc3 s SER 81 N 0.68 5.20 0.19 3.58 0.15 -1.26 -4.63 113.70 117.61 2wc3 s SER 81 Ca -0.01 0.82 -0.20 0.00 0.70 0.00 0.00 55.95 57.26 2wc3 s SER 81 Cb -0.14 -2.52 0.14 0.00 -1.71 0.00 0.00 66.02 61.79 2wc3 s SER 81 CO 0.02 -2.34 1.59 -0.25 1.20 0.00 0.00 173.24 173.46 2wc3 h TRP 82 N 15.68 -0.89 0.00 3.44 2.91 -1.83 -1.18 115.95 134.08 2wc3 h TRP 82 Ca -0.28 0.07 -0.00 0.00 1.13 0.00 0.00 58.89 59.81 2wc3 h TRP 82 Cb 1.19 0.48 -0.00 0.00 -0.51 0.00 0.00 29.16 30.33 2wc3 h TRP 82 CO 1.00 -0.38 -0.00 -1.00 -1.03 0.00 0.00 178.44 177.03 2wc3 h PRO 83 N -0.15 0.00 0.00 2.65 0.13 -1.75 -0.26 132.00 132.62 2wc3 h PRO 83 Ca 0.24 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.33 2wc3 h PRO 83 Cb 0.55 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 2wc3 h PRO 83 CO -0.69 0.00 -0.23 0.00 -0.23 0.00 0.00 178.00 176.85 2wc3 h ARG 84 N 0.00 0.00 0.03 0.86 3.08 -1.47 -1.89 114.38 114.98 2wc3 h ARG 84 Ca -0.00 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.66 2wc3 h ARG 84 Cb 0.20 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.19 2wc3 h ARG 84 CO 0.00 0.23 -2.36 -0.89 -1.07 0.00 0.00 179.97 175.88 2wc3 n ILE 85 N -3.48 1.56 -3.61 2.04 2.08 -0.55 -4.13 119.36 113.27 2wc3 n ILE 85 Ca -0.00 -0.56 -0.29 0.00 0.56 0.00 0.00 62.75 62.45 2wc3 n ILE 85 Cb 0.40 -1.54 -0.13 0.00 -0.75 0.00 0.00 39.64 37.62 2wc3 n ILE 85 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2wc3 s LEU 86 N -6.74 1.92 0.44 1.39 1.43 -0.22 -0.77 118.68 116.12 2wc3 s LEU 86 Ca -0.33 -2.37 0.16 0.00 -1.03 0.00 0.00 54.13 50.56 2wc3 s LEU 86 Cb 0.09 -0.75 1.07 0.00 0.03 0.00 0.00 46.19 46.63 2wc3 s LEU 86 CO 0.63 -0.29 1.94 -0.65 0.23 0.00 0.00 176.35 178.21 2wc3 h PRO 87 N 6.94 0.37 -0.64 1.29 0.11 -1.68 0.13 132.00 138.52 2wc3 h PRO 87 Ca 0.01 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2wc3 h PRO 87 Cb 0.95 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2wc3 h PRO 87 CO 0.39 0.25 0.00 0.39 -0.21 0.00 0.00 178.00 178.81 2wc3 n GLU 88 N -4.47 3.51 0.00 1.05 1.02 -1.26 -4.28 120.64 116.21 2wc3 n GLU 88 Ca 0.13 -2.52 0.00 0.00 -0.02 0.00 0.00 57.16 54.74 2wc3 n GLU 88 Cb 0.49 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 2wc3 n GLU 88 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wc3 n GLY 89 N 0.98 1.92 3.30 0.62 0.00 0.45 -4.66 105.19 107.80 2wc3 n GLY 89 Ca 0.23 -0.25 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.05 0.55 0.00 2.61 -4.23 -1.26 -4.75 115.64 108.51 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 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.27 2wc3 s THR 90 CO 0.00 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 2wc3 n GLY 91 N -0.43 1.49 3.76 3.99 0.00 -1.26 -4.88 105.19 107.86 2wc3 n GLY 91 Ca -0.01 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 2wc3 n GLY 91 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wc3 s ARG 92 N 0.00 4.42 -0.14 1.61 3.03 -1.26 -4.98 118.95 121.62 2wc3 s ARG 92 Ca 0.00 2.11 -0.10 0.00 2.03 0.00 0.00 55.73 59.77 2wc3 s ARG 92 Cb 0.00 -3.12 -0.05 0.00 -1.03 0.00 0.00 34.95 30.76 2wc3 s ARG 92 CO 0.00 -0.12 0.19 0.08 -1.13 0.00 0.00 175.30 174.32 2wc3 s VAL 93 N -0.90 5.39 -0.66 4.99 1.01 -1.26 -4.24 120.40 124.73 2wc3 s VAL 93 Ca 0.50 0.33 -0.20 0.00 0.00 0.00 0.00 61.98 62.60 2wc3 s VAL 93 Cb -0.38 -3.50 0.10 0.00 0.00 0.00 0.00 36.38 32.61 2wc3 s VAL 93 CO 0.48 0.51 0.84 0.21 0.00 0.00 0.00 175.10 177.14 2wc3 s ASN 94 N -0.27 6.25 0.29 3.32 2.47 0.05 -4.93 114.94 122.12 2wc3 s ASN 94 Ca 0.14 -1.40 0.03 0.00 0.42 0.00 0.00 52.86 52.04 2wc3 s ASN 94 Cb -0.12 -2.35 0.64 0.00 -1.45 0.00 0.00 41.25 37.97 2wc3 s ASN 94 CO 0.03 -1.20 1.79 -0.61 -3.72 0.00 0.00 177.10 173.39 2wc3 h GLN 95 N 9.22 0.79 0.00 0.43 5.75 -1.89 0.56 115.11 129.97 2wc3 h GLN 95 Ca -0.23 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.19 2wc3 h GLN 95 Cb 1.07 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 29.44 2wc3 h GLN 95 CO 1.12 0.52 -0.15 0.87 -2.65 0.00 0.00 178.83 178.53 2wc3 h LYS 96 N 0.81 0.00 0.26 1.69 1.57 -1.91 0.37 116.57 119.36 2wc3 h LYS 96 Ca 0.53 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.30 2wc3 h LYS 96 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2wc3 h LYS 96 CO -0.34 0.15 -0.13 0.78 -0.57 0.00 0.00 179.45 179.34 2wc3 h GLY 97 N 0.47 -0.37 0.14 3.86 0.00 -1.07 -2.44 103.07 103.67 2wc3 h GLY 97 Ca -0.00 0.14 0.17 0.00 0.00 0.00 0.00 47.33 47.64 2wc3 h GLY 97 CO 0.02 -0.13 0.50 1.41 0.00 0.00 0.00 176.54 178.34 2wc3 h LEU 98 N -0.72 0.61 -1.16 3.11 3.38 -1.04 -1.72 115.31 117.77 2wc3 h LEU 98 Ca -0.04 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2wc3 h LEU 98 Cb 0.49 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2wc3 h LEU 98 CO 0.06 0.22 0.29 0.44 0.09 0.00 0.00 178.44 179.54 2wc3 h ASP 99 N 0.66 0.79 -0.49 -0.43 3.32 -0.13 -1.50 116.42 118.65 2wc3 h ASP 99 Ca 0.52 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.44 2wc3 h ASP 99 Cb 0.79 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 2wc3 h ASP 99 CO -0.39 0.68 0.11 0.15 -1.72 0.00 0.00 179.24 178.07 2wc3 h PHE 100 N 0.88 0.82 -0.00 4.55 3.57 -0.82 -2.46 116.94 123.49 2wc3 h PHE 100 Ca 0.22 -0.10 -0.17 0.00 3.53 0.00 0.00 57.97 61.44 2wc3 h PHE 100 Cb 0.10 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 2wc3 h PHE 100 CO 0.01 0.74 -0.80 1.88 -2.23 0.00 0.00 178.31 177.91 2wc3 h TYR 101 N 0.67 0.05 -0.53 0.41 0.05 -1.48 -3.03 116.97 113.12 2wc3 h TYR 101 Ca 0.15 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.89 2wc3 h TYR 101 Cb 0.34 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 2wc3 h TYR 101 CO 0.02 0.82 0.27 -0.91 -1.05 0.00 0.00 178.16 177.31 2wc3 h ASN 102 N 0.02 0.68 -0.86 3.88 2.35 -1.06 0.11 115.58 120.69 2wc3 h ASN 102 Ca -0.01 -0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.63 2wc3 h ASN 102 Cb 1.41 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 39.56 2wc3 h ASN 102 CO 0.11 0.60 0.57 0.03 -1.65 0.00 0.00 177.43 177.09 2wc3 h ARG 103 N 0.70 1.12 -0.23 0.81 3.08 -1.46 0.37 114.38 118.76 2wc3 h ARG 103 Ca 0.18 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 2wc3 h ARG 103 Cb 0.09 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 2wc3 h ARG 103 CO -0.03 0.74 -0.03 0.82 -1.07 0.00 0.00 179.97 180.41 2wc3 h ILE 104 N 1.15 1.27 0.13 2.04 2.04 -1.34 0.34 117.51 123.14 2wc3 h ILE 104 Ca 0.32 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 2wc3 h ILE 104 Cb -0.11 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 2wc3 h ILE 104 CO -0.08 0.30 -0.09 0.40 0.00 0.00 0.00 178.15 178.69 2wc3 h ILE 105 N 0.18 0.81 -0.84 -0.67 2.04 -0.48 -0.53 117.51 118.02 2wc3 h ILE 105 Ca 0.06 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 2wc3 h ILE 105 Cb 0.46 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 2wc3 h ILE 105 CO 0.02 0.00 0.45 0.44 0.00 0.00 0.00 178.15 179.06 2wc3 h ASP 106 N -0.22 1.06 -0.46 1.72 3.32 -0.17 -2.18 116.42 119.49 2wc3 h ASP 106 Ca -0.01 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 56.85 2wc3 h ASP 106 Cb 0.19 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2wc3 h ASP 106 CO 0.01 0.86 -0.05 0.74 -1.72 0.00 0.00 179.24 179.08 2wc3 h THR 107 N 1.18 1.27 -0.36 0.35 2.02 -0.76 -1.44 112.91 115.17 2wc3 h THR 107 Ca 0.30 -1.14 0.04 0.00 0.77 0.00 0.00 66.41 66.38 2wc3 h THR 107 Cb 0.05 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 2wc3 h THR 107 CO -0.05 0.39 0.11 -0.07 0.37 0.00 0.00 175.52 176.28 2wc3 h LEU 108 N 0.70 0.11 -0.36 2.58 3.38 -0.92 -2.45 115.31 118.35 2wc3 h LEU 108 Ca 0.13 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.96 2wc3 h LEU 108 Cb 0.58 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2wc3 h LEU 108 CO 0.03 0.10 -0.52 -0.07 0.09 0.00 0.00 178.44 178.08 2wc3 h LEU 109 N 0.26 0.92 -0.91 1.67 3.38 -1.25 -0.54 115.31 118.85 2wc3 h LEU 109 Ca 0.17 -0.48 0.21 0.00 0.09 0.00 0.00 57.88 57.86 2wc3 h LEU 109 Cb 0.15 -0.26 -0.12 0.00 0.09 0.00 0.00 40.66 40.52 2wc3 h LEU 109 CO -0.18 1.27 0.45 -0.33 0.09 0.00 0.00 178.44 179.74 2wc3 h GLU 110 N 0.65 0.49 -0.32 1.13 5.08 -1.14 -2.16 114.58 118.31 2wc3 h GLU 110 Ca 0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2wc3 h GLU 110 Cb 1.11 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2wc3 h GLU 110 CO 0.11 0.32 0.00 1.63 -1.00 0.00 0.00 179.01 180.08 2wc3 n LYS 111 N -4.96 1.83 -1.85 2.33 5.02 -0.88 -4.93 118.16 114.72 2wc3 n LYS 111 Ca 0.22 -1.28 -0.11 0.00 -2.02 0.00 0.00 58.31 55.12 2wc3 n LYS 111 Cb 0.62 -1.32 -0.02 0.00 -0.02 0.00 0.00 35.03 34.29 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 1.10 0.44 3.63 0.72 0.00 -0.81 -4.99 105.19 105.28 2wc3 n GLY 112 Ca 0.13 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.49 5.10 -0.39 -0.61 1.01 -0.26 -4.85 121.20 118.71 2wc3 s ILE 113 Ca 0.00 0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.45 2wc3 s ILE 113 Cb 0.00 -3.36 0.02 0.00 0.01 0.00 0.00 42.46 39.13 2wc3 s ILE 113 CO 0.00 0.37 1.11 -0.89 0.00 0.00 0.00 174.94 175.54 2wc3 s THR 114 N 0.95 4.36 0.05 2.92 2.01 0.13 -3.89 115.64 122.17 2wc3 s THR 114 Ca 0.06 1.49 -0.31 0.00 0.31 0.00 0.00 61.69 63.24 2wc3 s THR 114 Cb -0.13 -4.50 -0.07 0.00 0.01 0.00 0.00 72.50 67.81 2wc3 s THR 114 CO 0.03 -0.73 1.41 -2.16 -0.69 0.00 0.00 174.62 172.48 2wc3 s PRO 115 N 4.05 4.30 -0.23 4.92 0.04 -1.26 -0.95 135.00 145.87 2wc3 s PRO 115 Ca 0.47 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 63.49 2wc3 s PRO 115 Cb -0.10 -3.43 -0.01 0.00 0.04 0.00 0.00 34.50 31.00 2wc3 s PRO 115 CO 0.23 -0.52 -0.02 -0.06 0.04 0.00 0.00 177.00 176.68 2wc3 s PHE 116 N 1.83 3.00 -0.20 0.56 0.40 0.12 -4.32 117.98 119.37 2wc3 s PHE 116 Ca 0.65 -0.91 -0.05 0.00 -0.60 0.00 0.00 56.93 56.01 2wc3 s PHE 116 Cb -0.34 -2.14 -0.03 0.00 0.51 0.00 0.00 43.02 41.03 2wc3 s PHE 116 CO 0.29 -0.54 0.01 0.08 0.70 0.00 0.00 175.22 175.76 2wc3 s VAL 117 N 1.49 4.05 -0.26 -0.44 1.01 -0.96 -0.90 120.40 124.38 2wc3 s VAL 117 Ca 0.05 -0.28 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 2wc3 s VAL 117 Cb -0.15 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 2wc3 s VAL 117 CO -0.02 0.42 0.46 -0.89 0.00 0.00 0.00 175.10 175.08 2wc3 s THR 118 N 1.01 5.11 0.14 3.92 2.01 -0.08 -0.30 115.64 127.44 2wc3 s THR 118 Ca 0.02 0.77 -0.11 0.00 0.31 0.00 0.00 61.69 62.68 2wc3 s THR 118 Cb -0.14 -3.78 -0.06 0.00 0.01 0.00 0.00 72.50 68.53 2wc3 s THR 118 CO 0.02 0.11 1.45 0.40 -0.69 0.00 0.00 174.62 175.92 2wc3 h ILE 119 N 5.39 1.27 -3.26 1.82 2.04 -0.50 -1.73 117.51 122.54 2wc3 h ILE 119 Ca -0.30 -1.60 -0.50 0.00 1.00 0.00 0.00 64.86 63.46 2wc3 h ILE 119 Cb 1.15 1.45 -0.40 0.00 -0.74 0.00 0.00 36.82 38.28 2wc3 h ILE 119 CO 0.69 0.53 -0.76 -0.47 0.00 0.00 0.00 178.15 178.14 2wc3 s TYR 120 N -4.32 0.94 -0.41 1.37 5.04 -0.87 -4.36 117.35 114.73 2wc3 s TYR 120 Ca -0.11 -0.70 0.09 0.00 -2.44 0.00 0.00 57.07 53.90 2wc3 s TYR 120 Cb 0.11 -0.98 0.43 0.00 0.35 0.00 0.00 41.96 41.87 2wc3 s TYR 120 CO 0.88 -0.55 1.06 1.58 -1.34 0.00 0.00 175.55 177.19 2wc3 n HIS 121 N 5.07 2.80 0.00 4.97 -0.00 -1.26 -1.73 115.22 125.08 2wc3 n HIS 121 Ca -0.09 -3.05 0.00 0.00 -0.00 0.00 0.00 57.72 54.59 2wc3 n HIS 121 Cb 0.48 -0.17 0.00 0.00 -0.00 0.00 0.00 29.99 30.30 2wc3 n HIS 121 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.34 177.25 2wc3 n TRP 122 N -0.36 0.00 -2.14 1.57 8.01 -1.26 -4.85 117.44 118.41 2wc3 n TRP 122 Ca 0.31 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 56.09 2wc3 n TRP 122 Cb 0.70 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 30.00 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 6.64 -4.76 -0.99 5.75 -1.26 -4.69 116.55 117.25 2wc3 n ASP 123 Ca 0.00 -3.12 -0.41 0.00 -0.01 0.00 0.00 54.79 51.26 2wc3 n ASP 123 Cb 0.00 -1.42 0.01 0.00 -1.03 0.00 0.00 41.12 38.68 2wc3 n ASP 123 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2wc3 n LEU 124 N 2.78 4.78 -4.72 -2.12 0.00 -1.26 -4.13 117.00 112.32 2wc3 n LEU 124 Ca 0.52 1.16 -0.42 0.00 0.00 0.00 0.00 56.01 57.27 2wc3 n LEU 124 Cb 0.30 -1.59 -0.03 0.00 0.00 0.00 0.00 43.42 42.10 2wc3 n LEU 124 CO 0.76 -0.12 1.34 -2.65 0.00 0.00 0.00 177.39 176.71 2wc3 n PRO 125 N 0.10 2.74 -0.34 1.96 -0.02 -1.26 -0.30 135.00 137.88 2wc3 n PRO 125 Ca 0.04 0.99 0.18 0.00 -2.02 0.00 0.00 63.50 62.68 2wc3 n PRO 125 Cb 0.40 -2.82 0.39 0.00 -0.02 0.00 0.00 33.50 31.46 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 6.26 0.99 -0.41 6.00 3.57 -0.97 -2.07 116.94 130.30 2wc3 h PHE 126 Ca -0.44 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.09 2wc3 h PHE 126 Cb 1.21 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 2wc3 h PHE 126 CO 0.62 0.07 0.25 0.00 -2.23 0.00 0.00 178.31 177.02 2wc3 h ALA 127 N 1.72 1.67 0.01 2.41 0.00 -1.84 -1.25 119.26 121.98 2wc3 h ALA 127 Ca 0.64 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 55.30 2wc3 h ALA 127 Cb 1.23 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2wc3 h ALA 127 CO -0.45 0.29 -0.91 -0.07 0.00 0.00 0.00 179.25 178.11 2wc3 h LEU 128 N 0.56 0.17 -0.77 0.00 3.38 -1.66 -3.20 115.31 113.79 2wc3 h LEU 128 Ca 0.15 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2wc3 h LEU 128 Cb -0.02 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 2wc3 h LEU 128 CO -0.03 0.99 0.51 -0.61 0.09 0.00 0.00 178.44 179.39 2wc3 h GLN 129 N 0.06 1.01 -0.26 1.13 5.75 -0.84 0.16 115.11 122.13 2wc3 h GLN 129 Ca -0.04 -0.06 0.07 0.00 -0.15 0.00 0.00 58.65 58.48 2wc3 h GLN 129 Cb 1.56 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.88 2wc3 h GLN 129 CO 0.13 0.67 0.20 -0.07 -2.65 0.00 0.00 178.83 177.11 2wc3 h LEU 130 N 1.04 0.00 -2.76 -2.39 3.38 -1.40 0.38 115.31 113.56 2wc3 h LEU 130 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2wc3 h LEU 130 Cb -0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2wc3 h LEU 130 CO -0.06 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.76 2wc3 n LYS 131 N -4.25 3.48 0.00 1.13 5.02 -0.84 -4.92 118.16 117.77 2wc3 n LYS 131 Ca 0.03 -2.44 0.00 0.00 -2.02 0.00 0.00 58.31 53.88 2wc3 n LYS 131 Cb 0.36 -1.86 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 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 0.92 0.65 7.00 0.72 0.00 0.13 -4.68 105.19 109.93 2wc3 n GLY 132 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.44 3.23 0.02 -0.02 0.00 0.51 -1.56 105.19 105.93 2wc3 n GLY 133 Ca 0.00 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 0.14 0.22 1.61 7.02 -1.26 -1.91 117.44 137.25 2wc3 n TRP 134 Ca 0.00 0.05 0.10 0.00 -1.02 0.00 0.00 57.50 56.62 2wc3 n TRP 134 Cb 0.00 -0.58 0.42 0.00 -2.42 0.00 0.00 31.31 28.74 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 2.67 0.99 -2.35 6.99 0.00 -1.59 -3.33 119.26 122.64 2wc3 h ALA 135 Ca 0.00 -0.21 -0.62 0.00 0.00 0.00 0.00 54.91 54.08 2wc3 h ALA 135 Cb 0.39 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.02 2wc3 h ALA 135 CO 0.00 0.29 0.22 1.21 0.00 0.00 0.00 179.25 180.98 2wc3 s ASN 136 N -6.20 6.54 0.58 0.00 3.84 -0.80 -4.86 114.94 114.03 2wc3 s ASN 136 Ca 0.01 0.48 0.29 0.00 0.21 0.00 0.00 52.86 53.85 2wc3 s ASN 136 Cb 0.10 -2.35 1.46 0.00 -0.55 0.00 0.00 41.25 39.91 2wc3 s ASN 136 CO 0.64 -0.53 1.89 -0.09 -2.79 0.00 0.00 177.10 176.22 2wc3 h ARG 137 N 8.18 0.00 0.00 0.43 2.43 -1.86 -0.43 114.38 123.13 2wc3 h ARG 137 Ca -0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 2wc3 h ARG 137 Cb 1.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2wc3 h ARG 137 CO 0.83 0.00 0.00 0.93 -1.51 0.00 0.00 179.97 180.22 2wc3 h GLU 138 N 0.00 0.00 0.00 0.20 4.39 -1.92 -3.06 114.58 114.19 2wc3 h GLU 138 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 2wc3 h GLU 138 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2wc3 h GLU 138 CO -0.00 0.00 0.00 0.97 -1.16 0.00 0.00 179.01 178.82 2wc3 h ILE 139 N 0.00 0.00 -0.66 3.13 2.10 -1.34 -2.32 117.51 118.42 2wc3 h ILE 139 Ca 0.00 -0.21 -0.00 0.00 1.08 0.00 0.00 64.86 65.73 2wc3 h ILE 139 Cb 0.21 1.13 -0.03 0.00 -1.09 0.00 0.00 36.82 37.04 2wc3 h ILE 139 CO 0.00 0.00 0.40 0.00 -1.08 0.00 0.00 178.15 177.47 2wc3 h ALA 140 N 2.02 0.84 -0.11 0.18 0.00 -1.77 0.18 119.26 120.60 2wc3 h ALA 140 Ca 0.00 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.61 2wc3 h ALA 140 Cb 0.22 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.76 2wc3 h ALA 140 CO 0.00 0.31 -0.83 -0.44 0.00 0.00 0.00 179.25 178.28 2wc3 h ASP 141 N 0.89 0.87 -0.89 0.00 3.32 -1.68 -1.59 116.42 117.33 2wc3 h ASP 141 Ca 0.24 -0.60 0.12 0.00 0.02 0.00 0.00 57.03 56.81 2wc3 h ASP 141 Cb -0.03 -0.26 -0.08 0.00 0.22 0.00 0.00 39.33 39.17 2wc3 h ASP 141 CO -0.05 1.39 0.52 -0.50 -1.72 0.00 0.00 179.24 178.89 2wc3 h TRP 142 N 0.47 0.93 -0.20 4.55 6.55 -1.16 -1.31 115.95 125.78 2wc3 h TRP 142 Ca -0.07 0.03 -0.19 0.00 0.95 0.00 0.00 58.89 59.62 2wc3 h TRP 142 Cb 1.46 -0.28 -0.00 0.00 -0.86 0.00 0.00 29.16 29.48 2wc3 h TRP 142 CO 0.08 0.33 -0.62 0.35 -1.05 0.00 0.00 178.44 177.54 2wc3 h PHE 143 N 0.81 0.90 -0.71 0.49 3.57 -0.67 -1.80 116.94 119.53 2wc3 h PHE 143 Ca 0.46 -0.34 0.08 0.00 3.53 0.00 0.00 57.97 61.69 2wc3 h PHE 143 Cb 0.51 -0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.02 2wc3 h PHE 143 CO -0.05 1.13 0.38 0.00 -2.23 0.00 0.00 178.31 177.54 2wc3 h ALA 144 N 0.78 0.98 -0.25 2.41 0.00 -0.68 0.64 119.26 123.14 2wc3 h ALA 144 Ca -0.01 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 2wc3 h ALA 144 Cb 1.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2wc3 h ALA 144 CO 0.12 0.01 -0.51 1.49 0.00 0.00 0.00 179.25 180.36 2wc3 h GLU 145 N 0.66 0.79 -0.05 0.00 4.81 -1.03 -0.66 114.58 119.10 2wc3 h GLU 145 Ca 0.34 -0.51 0.01 0.00 -0.13 0.00 0.00 59.36 59.06 2wc3 h GLU 145 Cb 0.30 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2wc3 h GLU 145 CO -0.24 1.14 0.01 -0.92 -0.73 0.00 0.00 179.01 178.28 2wc3 h TYR 146 N 0.54 0.02 -0.32 0.92 3.20 -1.17 -2.16 116.97 118.00 2wc3 h TYR 146 Ca 0.01 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.92 2wc3 h TYR 146 Cb 1.12 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.35 2wc3 h TYR 146 CO 0.08 0.01 0.07 0.77 -1.64 0.00 0.00 178.16 177.46 2wc3 h SER 147 N 0.04 0.03 -0.75 -2.11 0.02 -0.79 -1.62 113.55 108.37 2wc3 h SER 147 Ca 0.02 0.05 0.12 0.00 -0.84 0.00 0.00 61.79 61.14 2wc3 h SER 147 Cb 0.01 0.06 -0.08 0.00 0.14 0.00 0.00 62.40 62.53 2wc3 h SER 147 CO -0.03 0.05 0.36 -0.09 -1.14 0.00 0.00 176.83 175.99 2wc3 h ARG 148 N 0.19 0.55 -0.49 3.45 2.43 -1.00 0.15 114.38 119.66 2wc3 h ARG 148 Ca 0.15 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 2wc3 h ARG 148 Cb 0.16 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2wc3 h ARG 148 CO -0.19 0.36 0.20 0.28 -1.51 0.00 0.00 179.97 179.12 2wc3 h VAL 149 N 0.57 1.21 -0.15 0.20 2.07 -0.80 0.63 116.25 119.98 2wc3 h VAL 149 Ca 0.39 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2wc3 h VAL 149 Cb 0.50 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2wc3 h VAL 149 CO -0.32 0.24 0.09 -0.07 0.02 0.00 0.00 177.57 177.53 2wc3 h LEU 150 N 0.65 0.15 -0.57 2.57 3.38 -0.37 -2.07 115.31 119.05 2wc3 h LEU 150 Ca 0.16 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2wc3 h LEU 150 Cb 0.19 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2wc3 h LEU 150 CO -0.01 0.11 0.30 -0.26 0.09 0.00 0.00 178.44 178.67 2wc3 h PHE 151 N 0.19 0.80 -0.50 1.13 0.04 -0.29 0.26 116.94 118.58 2wc3 h PHE 151 Ca 0.06 -0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.69 2wc3 h PHE 151 Cb -0.01 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 37.87 2wc3 h PHE 151 CO -0.08 0.60 -0.13 0.93 -0.60 0.00 0.00 178.31 179.04 2wc3 h GLU 152 N 0.77 0.94 0.10 1.51 5.08 -0.85 0.23 114.58 122.35 2wc3 h GLU 152 Ca 0.20 -0.34 -0.27 0.00 -1.00 0.00 0.00 59.36 57.95 2wc3 h GLU 152 Cb 0.08 -0.06 0.03 0.00 0.50 0.00 0.00 28.75 29.29 2wc3 h GLU 152 CO -0.03 1.00 -1.10 -0.91 -1.00 0.00 0.00 179.01 176.97 2wc3 h ASN 153 N 0.83 0.80 0.00 1.42 2.35 -1.06 -3.40 115.58 116.53 2wc3 h ASN 153 Ca 0.13 -0.82 0.00 0.00 -0.55 0.00 0.00 56.30 55.06 2wc3 h ASN 153 Cb 0.67 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.78 2wc3 h ASN 153 CO 0.05 1.54 -0.73 0.49 -1.65 0.00 0.00 177.43 177.12 2wc3 n PHE 154 N -3.89 0.00 0.30 1.19 3.72 0.89 -4.71 117.46 114.97 2wc3 n PHE 154 Ca -0.13 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.45 2wc3 n PHE 154 Cb 0.92 -0.07 0.97 0.00 -0.94 0.00 0.00 39.48 40.37 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 1.42 0.00 2.00 1.37 0.00 -0.54 -0.81 103.07 106.51 2wc3 h GLY 155 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2wc3 h GLY 155 CO 0.00 0.00 -0.17 1.29 0.00 0.00 0.00 176.54 177.66 2wc3 h ASP 156 N 0.00 0.00 0.00 0.19 2.03 -1.84 -3.35 116.42 113.44 2wc3 h ASP 156 Ca -0.00 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.21 2wc3 h ASP 156 Cb 0.16 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.64 2wc3 h ASP 156 CO 0.00 0.17 -1.33 0.54 -1.03 0.00 0.00 179.24 177.59 2wc3 n ARG 157 N -3.98 0.65 -3.14 4.15 1.74 -0.91 -4.97 116.66 110.21 2wc3 n ARG 157 Ca -0.02 0.03 -0.40 0.00 -0.77 0.00 0.00 57.85 56.69 2wc3 n ARG 157 Cb 0.25 -1.12 -0.06 0.00 -1.02 0.00 0.00 32.46 30.52 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 -2.12 5.06 -0.24 1.55 1.01 -0.36 -4.95 120.40 120.35 2wc3 s VAL 158 Ca -0.07 1.20 0.02 0.00 0.00 0.00 0.00 61.98 63.13 2wc3 s VAL 158 Cb 0.02 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.50 2wc3 s VAL 158 CO 0.14 0.18 0.84 0.29 0.00 0.00 0.00 175.10 176.56 2wc3 n LYS 159 N 4.52 1.35 -3.72 2.72 4.76 -1.26 -4.52 118.16 122.01 2wc3 n LYS 159 Ca -0.02 -1.18 -0.24 0.00 -2.87 0.00 0.00 58.31 54.00 2wc3 n LYS 159 Cb 0.50 -1.05 -0.17 0.00 -1.84 0.00 0.00 35.03 32.47 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 -0.64 1.87 0.06 4.39 0.01 -1.26 0.28 114.94 119.65 2wc3 s ASN 160 Ca 0.04 -0.27 0.04 0.00 -0.71 0.00 0.00 52.86 51.96 2wc3 s ASN 160 Cb 0.02 -0.39 -0.03 0.00 0.41 0.00 0.00 41.25 41.26 2wc3 s ASN 160 CO 0.03 -0.25 -0.13 0.26 -1.51 0.00 0.00 177.10 175.51 2wc3 s TRP 161 N 2.01 1.07 -0.10 2.20 0.52 -0.39 -2.27 118.94 121.98 2wc3 s TRP 161 Ca 0.03 -0.46 0.01 0.00 0.02 0.00 0.00 56.10 55.70 2wc3 s TRP 161 Cb -0.14 -0.61 0.02 0.00 -1.15 0.00 0.00 33.47 31.59 2wc3 s TRP 161 CO -0.06 0.02 -0.11 0.42 0.02 0.00 0.00 176.95 177.24 2wc3 s ILE 162 N -1.26 1.22 -0.00 2.03 1.01 0.59 -1.30 121.20 123.49 2wc3 s ILE 162 Ca -0.04 -0.46 -0.21 0.00 0.00 0.00 0.00 60.65 59.95 2wc3 s ILE 162 Cb -0.10 -1.16 -0.11 0.00 0.01 0.00 0.00 42.46 41.09 2wc3 s ILE 162 CO 0.02 0.39 0.92 0.71 0.00 0.00 0.00 174.94 176.98 2wc3 h THR 163 N 6.06 0.00 -3.54 2.92 1.35 -1.47 0.28 112.91 118.51 2wc3 h THR 163 Ca -0.32 -0.34 -0.54 0.00 -0.55 0.00 0.00 66.41 64.66 2wc3 h THR 163 Cb 1.16 0.00 -0.33 0.00 -1.73 0.00 0.00 68.15 67.25 2wc3 h THR 163 CO 0.46 0.00 -0.83 -0.76 -0.25 0.00 0.00 175.52 174.14 2wc3 s LEU 164 N -8.82 1.78 -0.38 3.87 1.43 -1.26 -2.05 118.68 113.25 2wc3 s LEU 164 Ca -0.11 -0.34 -0.26 0.00 -1.03 0.00 0.00 54.13 52.39 2wc3 s LEU 164 Cb 0.01 -0.92 0.02 0.00 0.03 0.00 0.00 46.19 45.32 2wc3 s LEU 164 CO 0.33 0.08 0.94 0.21 0.23 0.00 0.00 176.35 178.14 2wc3 s ASN 165 N 0.45 6.67 -1.00 2.29 2.47 -0.70 -1.79 114.94 123.32 2wc3 s ASN 165 Ca -0.12 0.55 -0.11 0.00 0.42 0.00 0.00 52.86 53.60 2wc3 s ASN 165 Cb -0.15 -2.47 -0.02 0.00 -1.45 0.00 0.00 41.25 37.16 2wc3 s ASN 165 CO 0.04 -0.90 0.79 -0.62 -3.72 0.00 0.00 177.10 172.69 2wc3 n GLU 166 N 6.88 -1.55 0.28 0.43 1.02 0.73 -4.74 120.64 123.69 2wc3 n GLU 166 Ca 0.07 0.81 0.12 0.00 -0.02 0.00 0.00 57.16 58.14 2wc3 n GLU 166 Cb 0.48 -4.76 0.78 0.00 -0.02 0.00 0.00 31.44 27.92 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 -1.04 0.00 -0.51 3.49 0.13 -1.83 0.86 132.00 133.10 2wc3 h PRO 167 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2wc3 h PRO 167 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 2wc3 h PRO 167 CO 0.42 0.01 0.32 2.35 -0.23 0.00 0.00 178.00 180.87 2wc3 h TRP 168 N 0.00 0.65 -0.05 1.56 7.01 -1.92 -1.15 115.95 122.05 2wc3 h TRP 168 Ca -0.00 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 2wc3 h TRP 168 Cb 0.01 -0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 26.85 2wc3 h TRP 168 CO 0.00 0.44 0.02 0.28 -2.79 0.00 0.00 178.44 176.39 2wc3 h VAL 169 N 0.68 1.15 -0.55 2.65 2.07 -1.19 0.18 116.25 121.24 2wc3 h VAL 169 Ca 0.18 -0.44 0.11 0.00 0.82 0.00 0.00 66.70 67.37 2wc3 h VAL 169 Cb -0.04 1.34 -0.11 0.00 -1.52 0.00 0.00 31.29 30.97 2wc3 h VAL 169 CO -0.04 0.12 -0.23 0.58 0.02 0.00 0.00 177.57 178.02 2wc3 h VAL 170 N -0.09 0.30 0.41 2.57 2.07 -1.26 0.62 116.25 120.88 2wc3 h VAL 170 Ca 0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 2wc3 h VAL 170 Cb 0.18 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2wc3 h VAL 170 CO -0.00 0.00 -0.20 0.00 0.02 0.00 0.00 177.57 177.39 2wc3 h ALA 171 N 1.27 -0.55 0.09 1.67 0.00 -1.01 -3.16 119.26 117.56 2wc3 h ALA 171 Ca 0.25 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2wc3 h ALA 171 Cb 0.49 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.50 2wc3 h ALA 171 CO -0.61 -0.56 -0.68 0.82 0.00 0.00 0.00 179.25 178.22 2wc3 h ILE 172 N -1.05 1.50 0.00 0.00 1.08 -0.57 -0.90 117.51 117.57 2wc3 h ILE 172 Ca -0.06 -2.44 -0.14 0.00 -0.39 0.00 0.00 64.86 61.83 2wc3 h ILE 172 Cb 0.52 3.13 -0.02 0.00 -3.07 0.00 0.00 36.82 37.39 2wc3 h ILE 172 CO 0.09 0.66 -0.68 0.58 -0.69 0.00 0.00 178.15 178.11 2wc3 h VAL 173 N -0.59 1.44 0.06 1.67 2.07 -1.00 -0.58 116.25 119.31 2wc3 h VAL 173 Ca -0.14 -2.38 -0.27 0.00 0.82 0.00 0.00 66.70 64.73 2wc3 h VAL 173 Cb 1.45 2.30 -0.02 0.00 -1.52 0.00 0.00 31.29 33.49 2wc3 h VAL 173 CO 0.07 0.67 -1.41 1.23 0.02 0.00 0.00 177.57 178.15 2wc3 h GLY 174 N 2.20 0.13 0.00 2.17 0.00 -1.45 -1.31 103.07 104.82 2wc3 h GLY 174 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2wc3 h GLY 174 CO 0.09 0.30 0.00 1.42 0.00 0.00 0.00 176.54 178.35 2wc3 n HIS 175 N -3.33 0.00 -0.02 5.60 8.25 -0.34 -1.58 115.22 123.79 2wc3 n HIS 175 Ca -0.11 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.31 2wc3 n HIS 175 Cb 1.01 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.11 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 -0.29 0.34 0.05 2.41 7.94 -0.61 -1.19 117.00 125.66 2wc3 n LEU 176 Ca 0.00 0.04 -0.01 0.00 -1.11 0.00 0.00 56.01 54.93 2wc3 n LEU 176 Cb 0.01 -0.11 -0.07 0.00 0.53 0.00 0.00 43.42 43.78 2wc3 n LEU 176 CO 0.00 0.09 -0.10 1.88 -1.11 0.00 0.00 177.39 178.15 2wc3 h TYR 177 N -0.13 0.00 -0.21 1.96 0.05 -1.27 -3.38 116.97 113.99 2wc3 h TYR 177 Ca -0.09 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.60 2wc3 h TYR 177 Cb 1.08 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.79 2wc3 h TYR 177 CO -0.01 0.66 -0.08 0.41 -1.05 0.00 0.00 178.16 178.08 2wc3 n GLY 178 N 1.37 0.69 0.16 3.88 0.00 -0.71 -4.87 105.19 105.71 2wc3 n GLY 178 Ca -0.07 -0.37 0.05 0.00 0.00 0.00 0.00 46.02 45.63 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 0.56 -2.05 1.61 2.07 -1.55 -3.40 116.25 113.48 2wc3 h VAL 179 Ca -0.09 -1.81 -0.61 0.00 0.82 0.00 0.00 66.70 65.00 2wc3 h VAL 179 Cb 0.46 2.24 -0.13 0.00 -1.52 0.00 0.00 31.29 32.34 2wc3 h VAL 179 CO 0.13 0.32 -0.71 -1.00 0.02 0.00 0.00 177.57 176.34 2wc3 s HIS 180 N -3.04 2.38 0.46 1.57 3.76 -1.01 -4.73 115.29 114.67 2wc3 s HIS 180 Ca 0.04 -0.42 -0.24 0.00 -0.15 0.00 0.00 55.06 54.30 2wc3 s HIS 180 Cb 0.07 -1.22 -0.09 0.00 1.11 0.00 0.00 32.58 32.45 2wc3 s HIS 180 CO 0.73 0.63 1.14 0.00 -0.85 0.00 0.00 174.74 176.39 2wc3 n ALA 181 N -0.74 0.75 0.90 -1.40 0.00 -1.26 -0.75 120.51 118.01 2wc3 n ALA 181 Ca -0.05 0.20 0.05 0.00 0.00 0.00 0.00 53.44 53.64 2wc3 n ALA 181 Cb 0.62 -2.18 0.14 0.00 0.00 0.00 0.00 19.45 18.03 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 -0.18 1.84 -2.41 0.00 -0.04 -1.24 -4.50 135.00 128.47 2wc3 n PRO 182 Ca 0.09 -1.16 -0.00 0.00 -0.04 0.00 0.00 63.50 62.39 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 0.91 0.85 3.92 0.55 0.00 0.07 -5.03 105.19 106.47 2wc3 n GLY 183 Ca 0.11 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 2wc3 n GLY 183 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wc3 s MET 184 N -4.82 3.33 -0.50 1.61 0.00 -0.62 -4.79 119.30 113.51 2wc3 s MET 184 Ca 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 55.69 55.04 2wc3 s MET 184 Cb -0.00 -2.88 0.17 0.00 0.00 0.00 0.00 34.83 32.12 2wc3 s MET 184 CO 0.00 0.49 0.39 0.54 0.00 0.00 0.00 175.02 176.44 2wc3 n ARG 185 N -0.71 0.69 -3.46 4.11 1.74 -1.23 -1.73 116.66 116.07 2wc3 n ARG 185 Ca -0.08 -3.56 -0.12 0.00 -0.77 0.00 0.00 57.85 53.32 2wc3 n ARG 185 Cb 0.55 -1.84 -0.10 0.00 -1.02 0.00 0.00 32.46 30.05 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 -0.43 0.52 0.40 0.55 -1.08 -0.33 -4.94 116.67 111.35 2wc3 s ASP 186 Ca 0.31 0.22 0.19 0.00 -0.52 0.00 0.00 52.55 52.75 2wc3 s ASP 186 Cb 0.02 0.88 0.83 0.00 -1.46 0.00 0.00 42.92 43.19 2wc3 s ASP 186 CO -0.19 -0.29 1.82 -0.29 0.52 0.00 0.00 175.17 176.74 2wc3 h ILE 187 N 6.23 0.94 -0.19 4.11 2.10 -1.91 -0.70 117.51 128.10 2wc3 h ILE 187 Ca -0.18 -1.29 -0.19 0.00 1.08 0.00 0.00 64.86 64.29 2wc3 h ILE 187 Cb 1.14 1.76 0.00 0.00 -1.09 0.00 0.00 36.82 38.64 2wc3 h ILE 187 CO 0.24 0.33 -0.64 1.88 -1.08 0.00 0.00 178.15 178.88 2wc3 h TYR 188 N 0.00 0.88 -0.49 2.19 -1.99 -1.93 -2.68 116.97 112.95 2wc3 h TYR 188 Ca -0.00 -0.35 -0.06 0.00 2.00 0.00 0.00 58.73 60.32 2wc3 h TYR 188 Cb 0.73 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 39.29 2wc3 h TYR 188 CO 0.00 1.14 0.09 0.28 -0.00 0.00 0.00 178.16 179.67 2wc3 h VAL 189 N 0.50 1.25 -0.38 -2.88 2.07 -1.80 -2.69 116.25 112.32 2wc3 h VAL 189 Ca -0.01 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 2wc3 h VAL 189 Cb 1.23 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 2wc3 h VAL 189 CO 0.13 0.32 0.21 0.00 0.02 0.00 0.00 177.57 178.26 2wc3 h ALA 190 N 0.97 1.66 0.00 1.67 0.00 -0.99 -0.40 119.26 122.18 2wc3 h ALA 190 Ca 0.15 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2wc3 h ALA 190 Cb 0.38 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2wc3 h ALA 190 CO 0.01 0.29 -0.87 0.74 0.00 0.00 0.00 179.25 179.42 2wc3 h PHE 191 N 0.52 0.00 -0.15 0.00 0.04 -1.47 -1.74 116.94 114.14 2wc3 h PHE 191 Ca 0.14 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.80 2wc3 h PHE 191 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2wc3 h PHE 191 CO 0.00 0.18 -0.36 0.00 -0.60 0.00 0.00 178.31 177.53 2wc3 h ARG 192 N 0.00 0.32 -0.14 1.51 3.08 -1.12 -1.83 114.38 116.20 2wc3 h ARG 192 Ca -0.04 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 2wc3 h ARG 192 Cb 1.17 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 2wc3 h ARG 192 CO 0.02 0.64 0.03 0.00 -1.07 0.00 0.00 179.97 179.59 2wc3 h ALA 193 N 1.35 0.18 -0.19 0.04 0.00 -0.93 0.19 119.26 119.90 2wc3 h ALA 193 Ca 0.03 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.84 2wc3 h ALA 193 Cb 0.77 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 2wc3 h ALA 193 CO 0.06 -0.17 -0.37 0.28 0.00 0.00 0.00 179.25 179.05 2wc3 h VAL 194 N 0.02 0.21 -0.36 0.00 2.07 -1.24 0.25 116.25 117.20 2wc3 h VAL 194 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2wc3 h VAL 194 Cb 0.27 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 2wc3 h VAL 194 CO 0.00 0.00 0.24 -0.74 0.02 0.00 0.00 177.57 177.09 2wc3 h HIS 195 N -0.41 0.46 -0.01 1.57 6.17 -1.18 -2.46 115.15 119.28 2wc3 h HIS 195 Ca 0.10 0.01 -0.04 0.00 0.71 0.00 0.00 60.37 61.15 2wc3 h HIS 195 Cb 0.58 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 30.35 2wc3 h HIS 195 CO -0.47 0.29 -0.21 -0.91 0.71 0.00 0.00 177.93 177.34 2wc3 h ASN 196 N 0.49 0.01 -0.44 3.26 2.35 -0.34 -1.83 115.58 119.08 2wc3 h ASN 196 Ca 0.13 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2wc3 h ASN 196 Cb -0.05 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 2wc3 h ASN 196 CO -0.03 0.22 0.26 -0.07 -1.65 0.00 0.00 177.43 176.17 2wc3 h LEU 197 N 0.01 0.54 -0.14 1.61 3.38 -0.07 0.51 115.31 121.15 2wc3 h LEU 197 Ca 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2wc3 h LEU 197 Cb 0.38 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2wc3 h LEU 197 CO 0.03 0.44 0.05 -0.07 0.09 0.00 0.00 178.44 178.98 2wc3 h LEU 198 N 0.59 0.20 -0.60 1.67 3.38 -1.01 0.71 115.31 120.25 2wc3 h LEU 198 Ca 0.16 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2wc3 h LEU 198 Cb 0.01 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2wc3 h LEU 198 CO -0.03 0.31 0.38 0.03 0.09 0.00 0.00 178.44 179.23 2wc3 h ARG 199 N 0.07 0.74 -0.11 1.13 3.08 -1.20 -0.46 114.38 117.63 2wc3 h ARG 199 Ca 0.05 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.08 2wc3 h ARG 199 Cb 0.18 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 2wc3 h ARG 199 CO -0.00 0.49 -0.05 0.00 -1.07 0.00 0.00 179.97 179.34 2wc3 h ALA 200 N 1.24 0.05 -0.28 0.04 0.00 -0.72 -1.10 119.26 118.49 2wc3 h ALA 200 Ca 0.23 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.24 2wc3 h ALA 200 Cb -0.04 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2wc3 h ALA 200 CO -0.07 -0.51 -0.10 1.25 0.00 0.00 0.00 179.25 179.81 2wc3 h HIS 201 N -0.04 -0.24 -0.77 0.00 -0.00 -0.26 -0.89 115.15 112.95 2wc3 h HIS 201 Ca 0.06 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.41 2wc3 h HIS 201 Cb 0.13 0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 27.66 2wc3 h HIS 201 CO -0.18 -0.17 0.29 0.00 -0.00 0.00 0.00 177.93 177.88 2wc3 h ALA 202 N 1.20 1.07 -0.74 5.26 0.00 -0.93 -1.03 119.26 124.08 2wc3 h ALA 202 Ca 0.14 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2wc3 h ALA 202 Cb 0.27 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2wc3 h ALA 202 CO -0.32 0.65 0.28 0.00 0.00 0.00 0.00 179.25 179.87 2wc3 h ARG 203 N 1.12 1.12 -0.42 0.00 2.47 -0.81 -0.76 114.38 117.10 2wc3 h ARG 203 Ca 0.25 -0.21 -0.03 0.00 -1.26 0.00 0.00 59.98 58.74 2wc3 h ARG 203 Cb 0.23 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 2wc3 h ARG 203 CO -0.02 0.92 0.16 0.00 0.56 0.00 0.00 179.97 181.60 2wc3 h ALA 204 N 1.14 0.55 -0.71 0.04 0.00 -0.71 0.08 119.26 119.65 2wc3 h ALA 204 Ca 0.24 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2wc3 h ALA 204 Cb 0.23 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2wc3 h ALA 204 CO -0.02 0.16 0.46 0.28 0.00 0.00 0.00 179.25 180.13 2wc3 h VAL 205 N 0.54 1.16 -0.43 0.00 2.07 -0.77 0.15 116.25 118.97 2wc3 h VAL 205 Ca 0.14 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2wc3 h VAL 205 Cb 0.20 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 2wc3 h VAL 205 CO -0.01 0.17 0.20 0.50 0.02 0.00 0.00 177.57 178.45 2wc3 h LYS 206 N 0.93 0.63 -0.36 1.57 3.64 -0.73 -1.28 116.57 120.98 2wc3 h LYS 206 Ca 0.27 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2wc3 h LYS 206 Cb -0.07 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 2wc3 h LYS 206 CO -0.07 0.56 0.19 0.28 -2.27 0.00 0.00 179.45 178.14 2wc3 h VAL 207 N 0.56 1.11 -0.41 2.00 2.07 -0.60 -2.91 116.25 118.08 2wc3 h VAL 207 Ca 0.15 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 2wc3 h VAL 207 Cb 0.14 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2wc3 h VAL 207 CO -0.02 0.12 0.25 0.15 0.02 0.00 0.00 177.57 178.10 2wc3 h PHE 208 N 0.49 0.53 0.00 1.57 3.57 0.41 -1.85 116.94 121.67 2wc3 h PHE 208 Ca 0.13 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 2wc3 h PHE 208 Cb 0.02 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 2wc3 h PHE 208 CO 0.00 0.37 -0.06 0.00 -2.23 0.00 0.00 178.31 176.40 2wc3 h ARG 209 N 0.54 0.00 0.00 1.11 2.47 -1.13 -1.16 114.38 116.21 2wc3 h ARG 209 Ca 0.15 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.78 2wc3 h ARG 209 Cb -0.01 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 2wc3 h ARG 209 CO -0.03 0.06 -0.61 0.93 0.56 0.00 0.00 179.97 180.88 2wc3 h GLU 210 N 0.00 0.00 0.00 0.04 5.08 -1.38 -3.39 114.58 114.93 2wc3 h GLU 210 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wc3 h GLU 210 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2wc3 h GLU 210 CO 0.01 0.30 -0.62 0.25 -1.00 0.00 0.00 179.01 177.94 2wc3 n THR 211 N -3.08 0.00 -4.67 1.13 -2.24 -0.76 -4.98 114.28 99.68 2wc3 n THR 211 Ca 0.00 -0.28 -0.26 0.00 -2.27 0.00 0.00 64.05 61.24 2wc3 n THR 211 Cb 0.69 0.76 -0.17 0.00 -2.10 0.00 0.00 70.33 69.51 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 -1.81 1.30 -0.02 2.28 1.01 -0.50 -4.76 120.40 117.90 2wc3 s VAL 212 Ca 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 2wc3 s VAL 212 Cb 0.03 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 2wc3 s VAL 212 CO 0.20 0.39 0.13 -1.59 0.00 0.00 0.00 175.10 174.23 2wc3 s LYS 213 N 0.64 3.26 -1.37 2.72 0.00 -1.26 -4.53 119.74 119.20 2wc3 s LYS 213 Ca -0.15 -0.38 -0.08 0.00 0.00 0.00 0.00 55.97 55.36 2wc3 s LYS 213 Cb -0.16 -2.99 0.01 0.00 0.00 0.00 0.00 37.83 34.69 2wc3 s LYS 213 CO 0.04 0.67 1.07 -0.25 0.00 0.00 0.00 175.35 176.88 2wc3 n ASP 214 N 1.18 -6.28 -4.38 0.03 10.43 -1.26 -5.00 116.55 111.26 2wc3 n ASP 214 Ca -0.13 -0.49 -0.20 0.00 2.57 0.00 0.00 54.79 56.55 2wc3 n ASP 214 Cb 0.53 -4.94 -0.10 0.00 1.84 0.00 0.00 41.12 38.44 2wc3 n ASP 214 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 2wc3 s GLY 215 N -3.21 1.58 0.05 0.44 0.00 -1.26 -4.89 107.32 100.03 2wc3 s GLY 215 Ca 0.53 -1.74 0.07 0.00 0.00 0.00 0.00 44.72 43.58 2wc3 s GLY 215 CO 0.65 -1.81 -0.20 0.54 0.00 0.00 0.00 173.10 172.29 2wc3 s LYS 216 N -3.63 1.31 -0.00 2.90 1.02 0.14 -5.00 119.74 116.48 2wc3 s LYS 216 Ca 0.25 -0.93 0.01 0.00 0.02 0.00 0.00 55.97 55.32 2wc3 s LYS 216 Cb -0.01 -1.42 -0.00 0.00 -0.52 0.00 0.00 37.83 35.88 2wc3 s LYS 216 CO 0.09 0.36 -0.04 -1.50 -0.92 0.00 0.00 175.35 173.34 2wc3 s ILE 217 N -0.83 0.32 0.00 2.17 2.07 -1.26 -1.26 121.20 122.42 2wc3 s ILE 217 Ca 0.07 -0.20 0.00 0.00 -1.41 0.00 0.00 60.65 59.10 2wc3 s ILE 217 Cb -0.09 -0.28 0.00 0.00 0.13 0.00 0.00 42.46 42.22 2wc3 s ILE 217 CO 0.02 0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.73 2wc3 n GLY 218 N 2.92 4.49 3.46 1.50 0.00 -0.42 -1.10 105.19 116.04 2wc3 n GLY 218 Ca -0.13 -1.11 -0.17 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.19 0.01 -0.10 -0.61 2.07 -1.24 -1.25 121.20 118.89 2wc3 s ILE 219 Ca 0.00 -0.10 0.04 0.00 -1.41 0.00 0.00 60.65 59.18 2wc3 s ILE 219 Cb 0.00 -0.93 0.00 0.00 0.13 0.00 0.00 42.46 41.66 2wc3 s ILE 219 CO 0.00 -0.05 -0.22 -0.69 -1.91 0.00 0.00 174.94 172.06 2wc3 s VAL 220 N -1.39 1.94 0.01 4.00 1.01 -0.74 -0.14 120.40 125.09 2wc3 s VAL 220 Ca -0.11 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.00 2wc3 s VAL 220 Cb -0.01 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 2wc3 s VAL 220 CO 0.07 0.53 -0.19 -0.36 0.00 0.00 0.00 175.10 175.16 2wc3 s PHE 221 N 0.46 2.55 0.50 5.22 0.08 0.51 -0.19 117.98 127.11 2wc3 s PHE 221 Ca -0.17 -0.27 -0.18 0.00 0.12 0.00 0.00 56.93 56.44 2wc3 s PHE 221 Cb -0.17 -1.51 -0.08 0.00 -0.57 0.00 0.00 43.02 40.69 2wc3 s PHE 221 CO 0.07 0.19 1.00 0.54 -0.10 0.00 0.00 175.22 176.92 2wc3 s ASN 222 N -1.12 6.46 -0.19 1.36 4.22 -1.26 -0.91 114.94 123.49 2wc3 s ASN 222 Ca 0.13 1.74 -0.14 0.00 -2.14 0.00 0.00 52.86 52.44 2wc3 s ASN 222 Cb -0.10 -2.53 0.05 0.00 1.28 0.00 0.00 41.25 39.95 2wc3 s ASN 222 CO 0.03 -0.70 0.49 0.20 -2.04 0.00 0.00 177.10 175.08 2wc3 s ASN 223 N -2.52 -0.56 0.08 3.54 0.01 -1.09 -4.14 114.94 110.25 2wc3 s ASN 223 Ca 0.63 1.02 0.07 0.00 -0.71 0.00 0.00 52.86 53.86 2wc3 s ASN 223 Cb -0.13 0.97 -0.04 0.00 0.41 0.00 0.00 41.25 42.47 2wc3 s ASN 223 CO 0.25 -0.19 -0.12 -0.83 -1.51 0.00 0.00 177.10 174.70 2wc3 s GLY 224 N 0.77 1.73 -0.61 0.66 0.00 -1.26 -4.20 107.32 104.41 2wc3 s GLY 224 Ca -0.04 -1.21 -0.22 0.00 0.00 0.00 0.00 44.72 43.25 2wc3 s GLY 224 CO -0.06 -1.16 0.87 -0.47 0.00 0.00 0.00 173.10 172.28 2wc3 s TYR 225 N -1.11 2.80 -0.07 1.90 5.04 -0.92 -4.96 117.35 120.04 2wc3 s TYR 225 Ca 0.19 -0.54 -0.15 0.00 -2.44 0.00 0.00 57.07 54.13 2wc3 s TYR 225 Cb -0.11 -4.11 -0.05 0.00 0.35 0.00 0.00 41.96 38.04 2wc3 s TYR 225 CO 0.10 -1.45 0.40 -0.06 -1.34 0.00 0.00 175.55 173.20 2wc3 s PHE 226 N 3.60 3.62 0.05 4.97 0.08 -1.26 -0.08 117.98 128.96 2wc3 s PHE 226 Ca 0.21 0.88 0.05 0.00 0.12 0.00 0.00 56.93 58.19 2wc3 s PHE 226 Cb -0.18 -2.37 -0.02 0.00 -0.57 0.00 0.00 43.02 39.88 2wc3 s PHE 226 CO 0.11 0.43 -0.14 -1.21 -0.10 0.00 0.00 175.22 174.31 2wc3 s GLU 227 N -0.30 0.91 0.17 0.44 2.02 0.57 -4.95 118.70 117.57 2wc3 s GLU 227 Ca 0.23 -0.84 -0.30 0.00 0.02 0.00 0.00 54.97 54.08 2wc3 s GLU 227 Cb -0.15 -0.93 -0.07 0.00 0.10 0.00 0.00 34.13 33.07 2wc3 s GLU 227 CO 0.11 0.22 1.07 -1.25 0.02 0.00 0.00 175.26 175.43 2wc3 s PRO 228 N -1.35 4.62 0.58 0.39 0.04 -1.26 0.33 135.00 138.35 2wc3 s PRO 228 Ca 0.01 1.67 0.35 0.00 0.04 0.00 0.00 61.00 63.07 2wc3 s PRO 228 Cb -0.09 -3.29 1.78 0.00 0.04 0.00 0.00 34.50 32.94 2wc3 s PRO 228 CO 0.02 0.12 2.16 0.00 0.04 0.00 0.00 177.00 179.34 2wc3 h ALA 229 N 5.09 1.11 -2.96 8.56 0.00 -1.20 -3.45 119.26 126.41 2wc3 h ALA 229 Ca -0.44 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 2wc3 h ALA 229 Cb 1.21 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2wc3 h ALA 229 CO 0.72 0.05 0.09 -1.54 0.00 0.00 0.00 179.25 178.57 2wc3 s SER 230 N -5.68 0.19 -0.08 0.00 1.04 -1.26 -5.02 113.70 102.89 2wc3 s SER 230 Ca -0.02 -1.13 0.11 0.00 0.48 0.00 0.00 55.95 55.39 2wc3 s SER 230 Cb 0.12 0.75 0.47 0.00 0.10 0.00 0.00 66.02 67.46 2wc3 s SER 230 CO 0.51 -1.47 1.31 -1.84 0.98 0.00 0.00 173.24 172.74 2wc3 n GLU 231 N -0.51 2.83 -1.84 4.02 0.00 -1.26 -4.49 120.64 119.38 2wc3 n GLU 231 Ca -0.04 -1.84 -0.38 0.00 0.00 0.00 0.00 57.16 54.89 2wc3 n GLU 231 Cb 0.60 -1.70 0.03 0.00 0.00 0.00 0.00 31.44 30.37 2wc3 n GLU 231 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2wc3 s LYS 232 N -1.78 3.27 0.17 3.44 1.02 -1.26 -4.87 119.74 119.73 2wc3 s LYS 232 Ca 0.33 2.19 -0.14 0.00 0.02 0.00 0.00 55.97 58.37 2wc3 s LYS 232 Cb 0.22 -2.31 0.06 0.00 -0.52 0.00 0.00 37.83 35.27 2wc3 s LYS 232 CO 0.15 -1.07 1.83 1.49 -0.92 0.00 0.00 175.35 176.82 2wc3 h GLU 233 N 1.62 0.70 0.00 1.68 4.81 -1.99 -1.67 114.58 119.73 2wc3 h GLU 233 Ca -0.51 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.64 2wc3 h GLU 233 Cb 1.29 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 2wc3 h GLU 233 CO 0.58 0.48 -0.14 1.05 -0.73 0.00 0.00 179.01 180.25 2wc3 h GLU 234 N 0.71 0.00 0.07 1.92 9.09 -1.97 0.12 114.58 124.52 2wc3 h GLU 234 Ca 0.19 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 59.33 2wc3 h GLU 234 Cb -0.06 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.06 2wc3 h GLU 234 CO -0.04 0.14 -1.14 -0.44 0.05 0.00 0.00 179.01 177.58 2wc3 h ASP 235 N 0.00 0.74 -0.03 3.06 3.32 -1.65 0.92 116.42 122.78 2wc3 h ASP 235 Ca -0.00 -0.66 -0.09 0.00 0.02 0.00 0.00 57.03 56.30 2wc3 h ASP 235 Cb 0.42 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2wc3 h ASP 235 CO 0.02 1.47 -0.25 0.40 -1.72 0.00 0.00 179.24 179.15 2wc3 h ILE 236 N 0.26 1.26 -0.19 0.35 2.04 -0.95 -2.01 117.51 118.27 2wc3 h ILE 236 Ca -0.15 -1.25 -0.13 0.00 1.00 0.00 0.00 64.86 64.33 2wc3 h ILE 236 Cb 1.80 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 2wc3 h ILE 236 CO 0.21 0.40 -0.41 -0.09 0.00 0.00 0.00 178.15 178.26 2wc3 h ARG 237 N 0.39 0.61 -0.96 2.37 2.43 -0.94 -2.75 114.38 115.52 2wc3 h ARG 237 Ca 0.06 -0.40 0.16 0.00 -0.81 0.00 0.00 59.98 58.99 2wc3 h ARG 237 Cb 0.66 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 30.17 2wc3 h ARG 237 CO 0.05 1.02 0.61 0.00 -1.51 0.00 0.00 179.97 180.13 2wc3 h ALA 238 N 0.59 1.75 -0.45 2.80 0.00 -0.46 -0.80 119.26 122.69 2wc3 h ALA 238 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 2wc3 h ALA 238 Cb 1.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2wc3 h ALA 238 CO 0.09 -0.05 -0.24 0.28 0.00 0.00 0.00 179.25 179.33 2wc3 h VAL 239 N 0.75 1.27 -0.56 0.00 2.07 -1.29 -1.32 116.25 117.17 2wc3 h VAL 239 Ca 0.51 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 2wc3 h VAL 239 Cb 0.80 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 2wc3 h VAL 239 CO -0.28 0.48 0.28 0.03 0.02 0.00 0.00 177.57 178.10 2wc3 h ARG 240 N 0.80 0.79 -0.14 1.57 -0.00 -0.89 -0.47 114.38 116.04 2wc3 h ARG 240 Ca 0.10 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.98 59.47 2wc3 h ARG 240 Cb 0.80 -0.15 -0.01 0.00 0.00 0.00 0.00 29.97 30.62 2wc3 h ARG 240 CO 0.07 0.63 0.07 0.35 0.00 0.00 0.00 179.97 181.09 2wc3 h PHE 241 N 0.75 0.20 -0.50 3.04 3.57 -1.07 0.19 116.94 123.12 2wc3 h PHE 241 Ca 0.19 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 2wc3 h PHE 241 Cb 0.09 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2wc3 h PHE 241 CO -0.01 0.23 0.20 0.52 -2.23 0.00 0.00 178.31 177.02 2wc3 h MET 242 N 0.11 0.72 -0.20 1.11 2.86 -1.03 0.14 114.93 118.65 2wc3 h MET 242 Ca 0.05 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 2wc3 h MET 242 Cb 0.10 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 2wc3 h MET 242 CO -0.01 0.60 -0.09 1.25 1.06 0.00 0.00 176.91 179.73 2wc3 h HIS 243 N 0.72 0.46 -0.40 -0.22 -0.00 -0.83 -0.10 115.15 114.78 2wc3 h HIS 243 Ca 0.17 -0.11 -0.07 0.00 -0.00 0.00 0.00 60.37 60.36 2wc3 h HIS 243 Cb 0.15 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 27.43 2wc3 h HIS 243 CO 0.01 0.69 -0.03 1.96 -0.00 0.00 0.00 177.93 180.56 2wc3 h GLN 244 N 0.10 0.66 0.00 5.26 4.20 -0.47 -2.19 115.11 122.67 2wc3 h GLN 244 Ca 0.04 -0.17 -0.09 0.00 0.06 0.00 0.00 58.65 58.49 2wc3 h GLN 244 Cb 0.57 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2wc3 h GLN 244 CO 0.03 0.70 -0.50 0.35 -0.67 0.00 0.00 178.83 178.73 2wc3 h PHE 245 N 0.61 0.00 0.00 2.96 3.57 -0.77 -1.96 116.94 121.35 2wc3 h PHE 245 Ca 0.12 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.42 2wc3 h PHE 245 Cb 0.44 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 2wc3 h PHE 245 CO 0.02 1.08 -1.23 -0.97 -2.23 0.00 0.00 178.31 174.98 2wc3 h ASN 246 N -1.00 0.00 -5.83 0.41 -1.24 -1.09 -3.42 115.58 103.41 2wc3 h ASN 246 Ca -0.13 0.00 -0.43 0.00 0.71 0.00 0.00 56.30 56.44 2wc3 h ASN 246 Cb 1.03 0.00 0.05 0.00 0.73 0.00 0.00 38.32 40.14 2wc3 h ASN 246 CO -0.08 0.80 0.03 0.59 -1.29 0.00 0.00 177.43 177.48 2wc3 n ASN 247 N -3.12 1.56 -0.33 1.15 3.02 -0.82 -4.60 115.26 112.13 2wc3 n ASN 247 Ca -0.07 -2.21 0.34 0.00 -0.03 0.00 0.00 54.58 52.61 2wc3 n ASN 247 Cb 0.91 -0.50 0.73 0.00 -0.61 0.00 0.00 39.78 40.31 2wc3 n ASN 247 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2wc3 h TYR 248 N -0.27 0.07 -0.24 3.10 -0.00 -1.79 -2.99 116.97 114.86 2wc3 h TYR 248 Ca -0.28 0.00 0.06 0.00 0.00 0.00 0.00 58.73 58.52 2wc3 h TYR 248 Cb 1.13 -0.02 -0.01 0.00 0.00 0.00 0.00 36.73 37.83 2wc3 h TYR 248 CO 0.00 0.00 0.17 -1.35 -0.00 0.00 0.00 178.16 176.98 2wc3 h PRO 249 N 0.04 0.05 -1.00 0.10 0.11 -1.77 0.17 132.00 129.70 2wc3 h PRO 249 Ca 0.58 -0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.88 2wc3 h PRO 249 Cb 2.21 -0.01 -0.10 0.00 0.11 0.00 0.00 31.00 33.21 2wc3 h PRO 249 CO -0.04 0.03 0.61 1.25 -0.21 0.00 0.00 178.00 179.64 2wc3 h LEU 250 N 0.05 0.73 0.00 2.35 5.85 -1.19 -1.35 115.31 121.74 2wc3 h LEU 250 Ca 0.11 0.09 -0.29 0.00 0.84 0.00 0.00 57.88 58.63 2wc3 h LEU 250 Cb 0.38 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 2wc3 h LEU 250 CO -0.01 0.24 -2.10 0.49 -0.34 0.00 0.00 178.44 176.73 2wc3 n PHE 251 N -4.74 0.00 0.13 1.25 3.72 -0.48 -4.33 117.46 113.01 2wc3 n PHE 251 Ca 0.23 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.65 2wc3 n PHE 251 Cb 0.62 -0.78 0.01 0.00 -0.94 0.00 0.00 39.48 38.39 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 0.00 -0.21 4.37 3.38 -0.64 -1.43 115.31 120.78 2wc3 h LEU 252 Ca -0.43 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 2wc3 h LEU 252 Cb 1.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 2wc3 h LEU 252 CO 0.01 0.54 0.07 -1.13 0.09 0.00 0.00 178.44 178.02 2wc3 h ASN 253 N 0.00 0.30 0.18 -0.43 -1.24 -1.45 0.47 115.58 113.41 2wc3 h ASN 253 Ca -0.01 -0.20 0.01 0.00 0.71 0.00 0.00 56.30 56.81 2wc3 h ASN 253 Cb 1.42 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 40.35 2wc3 h ASN 253 CO 0.07 0.42 -0.43 -0.65 -1.29 0.00 0.00 177.43 175.55 2wc3 h PRO 254 N 0.17 -0.68 -0.53 6.67 0.11 -1.20 0.26 132.00 136.79 2wc3 h PRO 254 Ca 0.07 0.05 0.07 0.00 0.11 0.00 0.00 66.00 66.30 2wc3 h PRO 254 Cb 0.23 0.15 -0.06 0.00 0.11 0.00 0.00 31.00 31.43 2wc3 h PRO 254 CO -0.00 -0.45 0.19 0.82 -0.21 0.00 0.00 178.00 178.35 2wc3 h ILE 255 N -0.71 0.82 0.00 4.15 2.04 -1.08 -0.22 117.51 122.51 2wc3 h ILE 255 Ca 0.01 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2wc3 h ILE 255 Cb 0.71 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2wc3 h ILE 255 CO -0.21 0.07 -1.21 -1.22 0.00 0.00 0.00 178.15 175.58 2wc3 n TYR 256 N -5.00 0.37 0.00 1.37 4.01 0.16 -4.37 117.16 113.71 2wc3 n TYR 256 Ca 0.06 0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 2wc3 n TYR 256 Cb 0.22 -0.56 0.00 0.00 -0.31 0.00 0.00 39.34 38.69 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 -2.17 3.36 -0.69 -0.72 1.74 0.86 -5.05 116.66 113.99 2wc3 n ARG 257 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wc3 n ARG 257 Cb 0.48 -0.40 0.00 0.00 -1.02 0.00 0.00 32.46 31.53 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 0.72 0.61 3.59 -0.13 0.00 -0.10 -4.96 105.19 104.92 2wc3 n GLY 258 Ca 0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.41 -0.33 0.76 1.61 2.15 -1.22 -4.83 116.67 112.39 2wc3 s ASP 259 Ca 0.00 -0.15 -0.11 0.00 0.43 0.00 0.00 52.55 52.71 2wc3 s ASP 259 Cb 0.00 0.46 0.05 0.00 -0.30 0.00 0.00 42.92 43.13 2wc3 s ASP 259 CO 0.00 -0.79 1.08 -0.31 -0.17 0.00 0.00 175.17 174.98 2wc3 s TYR 260 N -3.30 2.94 0.60 -5.34 2.02 -1.26 -1.44 117.35 111.57 2wc3 s TYR 260 Ca 0.07 1.25 -0.19 0.00 -0.37 0.00 0.00 57.07 57.82 2wc3 s TYR 260 Cb -0.01 -3.03 -0.03 0.00 -0.40 0.00 0.00 41.96 38.48 2wc3 s TYR 260 CO -0.05 -1.56 1.28 -2.14 -1.57 0.00 0.00 175.55 171.51 2wc3 s PRO 261 N -5.12 2.87 0.15 -1.71 0.02 -1.26 -4.77 135.00 125.17 2wc3 s PRO 261 Ca 0.60 2.03 -0.19 0.00 0.02 0.00 0.00 61.00 63.46 2wc3 s PRO 261 Cb -0.14 -2.00 0.03 0.00 0.02 0.00 0.00 34.50 32.41 2wc3 s PRO 261 CO 0.54 -1.34 1.68 1.49 -0.33 0.00 0.00 177.00 179.05 2wc3 h GLU 262 N 0.94 -0.01 0.00 5.54 4.81 -1.98 -0.67 114.58 123.21 2wc3 h GLU 262 Ca -0.51 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.68 2wc3 h GLU 262 Cb 1.31 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 2wc3 h GLU 262 CO 0.55 -0.01 -0.23 -0.07 -0.73 0.00 0.00 179.01 178.52 2wc3 h LEU 263 N -0.01 0.00 -0.15 1.64 3.38 -1.95 -1.32 115.31 116.90 2wc3 h LEU 263 Ca 0.14 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 2wc3 h LEU 263 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2wc3 h LEU 263 CO -0.31 0.23 -0.37 0.58 0.09 0.00 0.00 178.44 178.66 2wc3 h VAL 264 N 0.00 1.35 -0.71 1.22 2.07 -1.67 -2.37 116.25 116.15 2wc3 h VAL 264 Ca -0.00 -1.64 0.08 0.00 0.82 0.00 0.00 66.70 65.95 2wc3 h VAL 264 Cb 0.68 2.02 -0.06 0.00 -1.52 0.00 0.00 31.29 32.40 2wc3 h VAL 264 CO 0.03 0.50 0.38 -0.07 0.02 0.00 0.00 177.57 178.43 2wc3 h LEU 265 N 0.14 0.54 -1.58 2.57 3.38 -0.85 0.66 115.31 120.17 2wc3 h LEU 265 Ca -0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2wc3 h LEU 265 Cb 0.98 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 2wc3 h LEU 265 CO 0.08 0.33 0.13 -0.33 0.09 0.00 0.00 178.44 178.74 2wc3 h GLU 266 N 0.68 0.41 0.15 1.13 5.08 -1.18 -0.72 114.58 120.12 2wc3 h GLU 266 Ca 0.33 -0.04 -0.33 0.00 -1.00 0.00 0.00 59.36 58.33 2wc3 h GLU 266 Cb 0.28 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2wc3 h GLU 266 CO -0.22 0.33 -1.67 0.35 -1.00 0.00 0.00 179.01 176.80 2wc3 h PHE 267 N 0.41 0.56 0.00 4.33 3.57 -0.80 -3.42 116.94 121.59 2wc3 h PHE 267 Ca 0.11 -0.41 0.00 0.00 3.53 0.00 0.00 57.97 61.20 2wc3 h PHE 267 Cb 0.07 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.78 2wc3 h PHE 267 CO 0.00 1.65 -0.03 0.00 -2.23 0.00 0.00 178.31 177.71 2wc3 n ALA 268 N -2.94 1.90 -0.23 2.41 0.00 0.22 -4.73 120.51 117.15 2wc3 n ALA 268 Ca -0.26 -1.28 0.03 0.00 0.00 0.00 0.00 53.44 51.92 2wc3 n ALA 268 Cb 1.00 -0.12 0.15 0.00 0.00 0.00 0.00 19.45 20.48 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 0.25 0.00 0.00 2.43 -1.27 0.23 114.38 116.02 2wc3 h ARG 269 Ca 0.00 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2wc3 h ARG 269 Cb 0.75 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2wc3 h ARG 269 CO 0.00 0.16 -0.01 0.93 -1.51 0.00 0.00 179.97 179.54 2wc3 h GLU 270 N 0.25 0.00 0.00 0.20 5.08 -1.84 -2.78 114.58 115.49 2wc3 h GLU 270 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2wc3 h GLU 270 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2wc3 h GLU 270 CO -0.47 0.01 -1.34 0.66 -1.00 0.00 0.00 179.01 176.87 2wc3 n TYR 271 N -3.30 0.57 -2.03 4.33 4.01 0.05 -4.94 117.16 115.86 2wc3 n TYR 271 Ca -0.03 0.17 -0.32 0.00 -0.16 0.00 0.00 57.90 57.56 2wc3 n TYR 271 Cb 0.11 -0.75 0.00 0.00 -0.31 0.00 0.00 39.34 38.40 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 -4.91 3.41 0.70 7.72 1.43 -1.05 -4.36 118.68 121.62 2wc3 s LEU 272 Ca -0.03 1.62 -0.17 0.00 -1.03 0.00 0.00 54.13 54.53 2wc3 s LEU 272 Cb 0.12 -4.51 0.02 0.00 0.03 0.00 0.00 46.19 41.85 2wc3 s LEU 272 CO 0.83 -0.97 1.27 -2.84 0.23 0.00 0.00 176.35 174.87 2wc3 s PRO 273 N -4.48 2.27 0.17 1.29 0.02 -1.26 -4.88 135.00 128.12 2wc3 s PRO 273 Ca 0.59 1.97 -0.21 0.00 0.02 0.00 0.00 61.00 63.38 2wc3 s PRO 273 Cb -0.13 -1.82 0.08 0.00 0.02 0.00 0.00 34.50 32.65 2wc3 s PRO 273 CO 0.42 -1.79 1.62 1.49 -0.33 0.00 0.00 177.00 178.41 2wc3 h GLU 274 N 0.10 -0.18 -1.05 5.54 4.57 -1.95 -2.72 114.58 118.89 2wc3 h GLU 274 Ca -0.50 0.01 -0.64 0.00 -1.18 0.00 0.00 59.36 57.05 2wc3 h GLU 274 Cb 1.33 0.04 -0.34 0.00 -0.16 0.00 0.00 28.75 29.62 2wc3 h GLU 274 CO 0.51 -0.12 0.29 0.09 -1.18 0.00 0.00 179.01 178.60 2wc3 n ASN 275 N -5.39 6.67 -0.12 1.04 5.03 -1.26 -4.77 115.26 116.46 2wc3 n ASN 275 Ca 0.02 -3.78 0.06 0.00 0.87 0.00 0.00 54.58 51.75 2wc3 n ASN 275 Cb 0.31 -0.76 0.39 0.00 -1.02 0.00 0.00 39.78 38.70 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 2.19 0.65 0.00 3.10 -0.00 -1.85 -0.30 116.97 120.76 2wc3 h TYR 276 Ca 0.51 0.02 0.00 0.00 0.00 0.00 0.00 58.73 59.26 2wc3 h TYR 276 Cb 0.96 -0.22 0.00 0.00 0.00 0.00 0.00 36.73 37.47 2wc3 h TYR 276 CO 1.20 0.36 0.00 -0.22 -0.00 0.00 0.00 178.16 179.50 2wc3 h LYS 277 N 0.66 0.00 0.00 0.10 3.64 -1.87 0.32 116.57 119.42 2wc3 h LYS 277 Ca 0.26 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 2wc3 h LYS 277 Cb 0.21 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2wc3 h LYS 277 CO -0.08 0.00 -0.05 -0.44 -2.27 0.00 0.00 179.45 176.61 2wc3 h ASP 278 N 0.00 0.00 0.76 4.20 3.32 -1.45 -2.67 116.42 120.58 2wc3 h ASP 278 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wc3 h ASP 278 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2wc3 h ASP 278 CO 0.00 0.05 -0.35 0.47 -1.72 0.00 0.00 179.24 177.69 2wc3 n ASP 279 N -3.59 0.41 -0.09 6.45 8.00 0.11 -4.38 116.55 123.46 2wc3 n ASP 279 Ca -0.02 0.07 -0.04 0.00 0.71 0.00 0.00 54.79 55.51 2wc3 n ASP 279 Cb 0.16 -0.04 0.18 0.00 -0.02 0.00 0.00 41.12 41.41 2wc3 n ASP 279 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2wc3 h MET 280 N 0.00 0.75 -0.29 -1.24 2.86 -1.55 -2.42 114.93 113.04 2wc3 h MET 280 Ca 0.00 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.37 2wc3 h MET 280 Cb 0.55 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 2wc3 h MET 280 CO 0.00 0.76 -0.13 0.66 1.06 0.00 0.00 176.91 179.26 2wc3 h SER 281 N 0.71 0.48 -0.16 1.22 4.64 -1.78 -1.99 113.55 116.66 2wc3 h SER 281 Ca 0.14 -0.13 -0.12 0.00 -0.47 0.00 0.00 61.79 61.22 2wc3 h SER 281 Cb 0.42 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2wc3 h SER 281 CO 0.02 0.64 -0.30 -0.33 -0.87 0.00 0.00 176.83 175.99 2wc3 h GLU 282 N 0.46 0.65 0.00 4.77 5.08 -1.78 -2.94 114.58 120.82 2wc3 h GLU 282 Ca 0.08 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 2wc3 h GLU 282 Cb 0.50 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2wc3 h GLU 282 CO 0.03 0.87 -0.16 0.82 -1.00 0.00 0.00 179.01 179.57 2wc3 h ILE 283 N 0.56 0.69 0.00 3.13 2.04 -0.90 -2.13 117.51 120.89 2wc3 h ILE 283 Ca 0.07 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.27 2wc3 h ILE 283 Cb 0.79 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 2wc3 h ILE 283 CO 0.06 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.37 2wc3 n GLN 284 N -3.73 0.85 -1.69 2.37 6.02 -0.81 -4.55 117.38 115.83 2wc3 n GLN 284 Ca -0.02 0.00 -0.62 0.00 -0.01 0.00 0.00 57.00 56.35 2wc3 n GLN 284 Cb 0.27 -1.12 -0.09 0.00 1.02 0.00 0.00 30.24 30.32 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 -0.33 0.46 -1.67 -1.09 4.07 -0.80 -4.83 120.64 116.44 2wc3 n GLU 285 Ca 0.00 0.17 -0.46 0.00 -0.06 0.00 0.00 57.16 56.81 2wc3 n GLU 285 Cb 0.06 -1.74 -0.04 0.00 -0.06 0.00 0.00 31.44 29.66 2wc3 n GLU 285 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2wc3 n LYS 286 N 4.02 2.22 -4.08 5.31 4.81 -1.26 -5.02 118.16 124.16 2wc3 n LYS 286 Ca 0.27 0.80 -0.22 0.00 -0.87 0.00 0.00 58.31 58.30 2wc3 n LYS 286 Cb 0.04 -2.59 -0.05 0.00 0.02 0.00 0.00 35.03 32.45 2wc3 n LYS 286 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 2wc3 s ILE 287 N 1.19 4.12 -0.13 3.15 -4.36 -1.26 -4.98 121.20 118.93 2wc3 s ILE 287 Ca 0.79 -1.47 0.19 0.00 -0.26 0.00 0.00 60.65 59.91 2wc3 s ILE 287 Cb -0.66 -3.29 -0.25 0.00 1.25 0.00 0.00 42.46 39.51 2wc3 s ILE 287 CO 0.38 -0.32 0.38 0.47 0.24 0.00 0.00 174.94 176.10 2wc3 n ASP 288 N -1.18 0.19 -3.53 4.36 8.00 -0.26 -4.96 116.55 119.18 2wc3 n ASP 288 Ca -0.06 0.09 -0.12 0.00 0.71 0.00 0.00 54.79 55.40 2wc3 n ASP 288 Cb 0.58 1.15 -0.04 0.00 -0.02 0.00 0.00 41.12 42.79 2wc3 n ASP 288 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2wc3 s PHE 289 N -2.93 -0.41 -0.10 1.24 -0.12 -1.22 -4.00 117.98 110.43 2wc3 s PHE 289 Ca -0.08 0.24 0.01 0.00 -0.05 0.00 0.00 56.93 57.06 2wc3 s PHE 289 Cb 0.09 0.41 -0.02 0.00 -0.63 0.00 0.00 43.02 42.87 2wc3 s PHE 289 CO 0.85 -0.75 -0.13 0.08 -0.05 0.00 0.00 175.22 175.23 2wc3 s VAL 290 N -3.39 3.13 -0.20 -2.49 1.01 -0.49 -3.59 120.40 114.37 2wc3 s VAL 290 Ca -0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 2wc3 s VAL 290 Cb 0.00 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 2wc3 s VAL 290 CO -0.09 0.55 0.04 -0.83 0.00 0.00 0.00 175.10 174.76 2wc3 s GLY 291 N -0.03 1.80 -0.16 4.51 0.00 0.80 -1.59 107.32 112.65 2wc3 s GLY 291 Ca -0.03 -0.93 -0.02 0.00 0.00 0.00 0.00 44.72 43.75 2wc3 s GLY 291 CO 0.04 0.22 -0.09 1.08 0.00 0.00 0.00 173.10 174.35 2wc3 s LEU 292 N 0.88 2.86 0.03 0.66 1.43 0.05 -0.36 118.68 124.23 2wc3 s LEU 292 Ca 0.02 -0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 52.76 2wc3 s LEU 292 Cb -0.14 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 2wc3 s LEU 292 CO 0.02 0.12 0.29 0.20 0.23 0.00 0.00 176.35 177.21 2wc3 s ASN 293 N 0.62 6.50 -0.09 2.29 0.01 -0.09 -1.30 114.94 122.88 2wc3 s ASN 293 Ca -0.06 0.57 -0.08 0.00 -0.71 0.00 0.00 52.86 52.59 2wc3 s ASN 293 Cb -0.15 -2.09 0.03 0.00 0.41 0.00 0.00 41.25 39.44 2wc3 s ASN 293 CO 0.03 0.23 0.24 -0.47 -1.51 0.00 0.00 177.10 175.62 2wc3 s TYR 294 N -1.34 -0.28 0.00 2.20 5.04 -0.58 -2.68 117.35 119.72 2wc3 s TYR 294 Ca 0.29 0.67 0.00 0.00 -2.44 0.00 0.00 57.07 55.60 2wc3 s TYR 294 Cb -0.13 0.08 0.00 0.00 0.35 0.00 0.00 41.96 42.26 2wc3 s TYR 294 CO 0.17 -0.15 0.00 0.66 -1.34 0.00 0.00 175.55 174.89 2wc3 n TYR 295 N 3.26 0.00 -3.61 4.97 4.02 -1.26 -4.34 117.16 120.20 2wc3 n TYR 295 Ca -0.16 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.61 2wc3 n TYR 295 Cb 0.57 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.84 2wc3 n TYR 295 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2wc3 s SER 296 N -2.39 -0.33 0.09 7.72 1.04 -1.26 -4.72 113.70 113.85 2wc3 s SER 296 Ca 0.00 -0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.41 2wc3 s SER 296 Cb 0.00 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 2wc3 s SER 296 CO 0.00 -0.76 0.12 -0.83 0.98 0.00 0.00 173.24 172.75 2wc3 s GLY 297 N -2.29 2.01 -0.01 7.32 0.00 -1.22 -2.16 107.32 110.95 2wc3 s GLY 297 Ca -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.69 2wc3 s GLY 297 CO -0.06 -0.99 0.02 0.30 0.00 0.00 0.00 173.10 172.37 2wc3 s HIS 298 N -1.46 0.04 -0.05 1.90 3.76 0.89 -4.44 115.29 115.92 2wc3 s HIS 298 Ca 0.31 0.08 -0.19 0.00 -0.15 0.00 0.00 55.06 55.10 2wc3 s HIS 298 Cb -0.12 -0.17 -0.05 0.00 1.11 0.00 0.00 32.58 33.35 2wc3 s HIS 298 CO 0.23 -0.06 0.54 -1.17 -0.85 0.00 0.00 174.74 173.44 2wc3 s LEU 299 N 0.71 4.36 0.03 0.89 2.96 -1.26 -0.31 118.68 126.06 2wc3 s LEU 299 Ca -0.06 1.01 0.05 0.00 -0.22 0.00 0.00 54.13 54.91 2wc3 s LEU 299 Cb -0.09 -2.82 -0.02 0.00 0.50 0.00 0.00 46.19 43.76 2wc3 s LEU 299 CO -0.02 0.06 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.23 2wc3 s VAL 300 N 0.15 1.20 0.02 1.68 1.01 0.15 -0.84 120.40 123.78 2wc3 s VAL 300 Ca 0.29 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.30 2wc3 s VAL 300 Cb -0.17 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 2wc3 s VAL 300 CO 0.14 0.07 -0.05 -1.59 0.00 0.00 0.00 175.10 173.67 2wc3 s LYS 301 N -1.05 0.38 0.16 2.72 -2.85 -0.83 -0.68 119.74 117.59 2wc3 s LYS 301 Ca 0.03 -0.54 -0.32 0.00 -1.00 0.00 0.00 55.97 54.14 2wc3 s LYS 301 Cb -0.08 -0.14 -0.12 0.00 -2.06 0.00 0.00 37.83 35.44 2wc3 s LYS 301 CO 0.01 0.02 1.76 0.34 0.10 0.00 0.00 175.35 177.58 2wc3 n PHE 302 N 1.90 2.65 -3.59 1.78 7.35 -1.26 -1.29 117.46 125.00 2wc3 n PHE 302 Ca -0.21 -0.02 -0.24 0.00 -0.76 0.00 0.00 57.45 56.22 2wc3 n PHE 302 Cb 0.56 -2.69 -0.16 0.00 0.35 0.00 0.00 39.48 37.54 2wc3 n PHE 302 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2wc3 s ASP 303 N 1.82 2.10 0.55 -2.13 3.68 -0.84 -4.84 116.67 117.01 2wc3 s ASP 303 Ca 0.78 -0.50 0.33 0.00 2.13 0.00 0.00 52.55 55.29 2wc3 s ASP 303 Cb -0.51 -0.11 1.55 0.00 -1.45 0.00 0.00 42.92 42.40 2wc3 s ASP 303 CO 0.35 -0.34 2.07 1.55 0.13 0.00 0.00 175.17 178.93 2wc3 h PRO 304 N 8.40 0.00 -0.06 4.34 0.13 -1.94 -1.68 132.00 141.18 2wc3 h PRO 304 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2wc3 h PRO 304 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2wc3 h PRO 304 CO 0.28 0.06 0.00 -0.25 -0.23 0.00 0.00 178.00 177.87 2wc3 n ASP 305 N -3.29 0.95 0.00 1.44 9.92 -1.26 -4.96 116.55 119.35 2wc3 n ASP 305 Ca -0.01 -1.46 0.00 0.00 -0.53 0.00 0.00 54.79 52.79 2wc3 n ASP 305 Cb 0.25 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.70 2wc3 n ASP 305 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wc3 n ALA 306 N -0.21 0.30 -1.97 2.24 0.00 -0.63 -5.07 120.51 115.16 2wc3 n ALA 306 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.31 2wc3 n ALA 306 Cb 0.24 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.72 2wc3 n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wc3 n LYS 309 N 0.00 3.17 -3.78 0.00 4.76 -1.26 -5.04 118.16 116.02 2wc3 n LYS 309 Ca 0.00 -3.93 -0.13 0.00 -2.87 0.00 0.00 58.31 51.39 2wc3 n LYS 309 Cb 0.00 -2.27 -0.13 0.00 -1.84 0.00 0.00 35.03 30.79 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 -5.02 -0.02 0.08 -0.18 1.01 -1.25 -1.98 120.40 113.05 2wc3 s VAL 310 Ca 0.54 0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.69 2wc3 s VAL 310 Cb 0.44 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 36.50 2wc3 s VAL 310 CO -0.14 0.03 -0.25 -0.94 0.00 0.00 0.00 175.10 173.81 2wc3 s SER 311 N 0.64 3.06 0.37 3.32 1.04 -0.41 -4.85 113.70 116.87 2wc3 s SER 311 Ca -0.05 -0.65 -0.25 0.00 0.48 0.00 0.00 55.95 55.48 2wc3 s SER 311 Cb -0.06 -0.23 -0.09 0.00 0.10 0.00 0.00 66.02 65.73 2wc3 s SER 311 CO -0.03 0.19 1.03 -0.36 0.98 0.00 0.00 173.24 175.05 2wc3 s PHE 312 N -0.94 3.40 -0.20 5.02 0.40 -1.26 -1.96 117.98 122.45 2wc3 s PHE 312 Ca 0.11 1.68 0.01 0.00 -0.60 0.00 0.00 56.93 58.14 2wc3 s PHE 312 Cb -0.10 -3.09 0.04 0.00 0.51 0.00 0.00 43.02 40.39 2wc3 s PHE 312 CO 0.04 -0.40 -0.12 0.08 0.70 0.00 0.00 175.22 175.52 2wc3 s VAL 313 N -1.61 1.75 0.27 -0.44 1.01 -0.02 -4.94 120.40 116.43 2wc3 s VAL 313 Ca 0.55 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 2wc3 s VAL 313 Cb -0.22 -1.78 -0.12 0.00 0.00 0.00 0.00 36.38 34.26 2wc3 s VAL 313 CO 0.28 0.22 1.63 -0.62 0.00 0.00 0.00 175.10 176.60 2wc3 n GLU 314 N 4.65 2.72 -4.11 2.72 1.02 -1.26 -4.29 120.64 122.09 2wc3 n GLU 314 Ca -0.16 0.97 -0.27 0.00 -0.02 0.00 0.00 57.16 57.69 2wc3 n GLU 314 Cb 0.47 -2.77 -0.06 0.00 -0.02 0.00 0.00 31.44 29.06 2wc3 n GLU 314 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2wc3 s ARG 315 N -0.13 2.75 -1.39 3.49 0.52 -1.26 -5.02 118.95 117.91 2wc3 s ARG 315 Ca 0.67 -0.92 -0.15 0.00 -0.52 0.00 0.00 55.73 54.81 2wc3 s ARG 315 Cb -0.50 -2.57 0.01 0.00 0.52 0.00 0.00 34.95 32.42 2wc3 s ARG 315 CO 0.45 0.49 2.23 -0.25 0.02 0.00 0.00 175.30 178.23 2wc3 n ASP 316 N -0.17 3.93 -4.26 0.23 10.43 -1.26 -4.91 116.55 120.54 2wc3 n ASP 316 Ca -0.09 -2.81 -0.15 0.00 2.57 0.00 0.00 54.79 54.31 2wc3 n ASP 316 Cb 0.54 -1.60 -0.10 0.00 1.84 0.00 0.00 41.12 41.80 2wc3 n ASP 316 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2wc3 s LEU 317 N 2.01 2.53 0.48 0.64 1.02 -1.26 -5.12 118.68 118.98 2wc3 s LEU 317 Ca 0.49 -1.00 -0.24 0.00 0.02 0.00 0.00 54.13 53.40 2wc3 s LEU 317 Cb 0.14 -0.42 -0.07 0.00 0.02 0.00 0.00 46.19 45.87 2wc3 s LEU 317 CO -0.07 -0.29 1.37 -2.84 0.02 0.00 0.00 176.35 174.54 2wc3 s PRO 318 N -3.64 3.50 0.14 1.29 0.02 -1.26 -4.84 135.00 130.21 2wc3 s PRO 318 Ca 0.17 2.27 0.07 0.00 0.02 0.00 0.00 61.00 63.53 2wc3 s PRO 318 Cb 0.01 -2.49 -0.04 0.00 0.02 0.00 0.00 34.50 32.00 2wc3 s PRO 318 CO 0.02 -0.91 -0.15 0.15 -0.33 0.00 0.00 177.00 175.78 2wc3 s LYS 319 N -2.63 1.12 0.85 5.54 1.02 -1.26 -0.65 119.74 123.73 2wc3 s LYS 319 Ca 0.65 -1.34 -0.11 0.00 0.02 0.00 0.00 55.97 55.19 2wc3 s LYS 319 Cb -0.41 -1.00 0.19 0.00 -0.52 0.00 0.00 37.83 36.09 2wc3 s LYS 319 CO 0.51 0.19 1.16 0.25 -0.92 0.00 0.00 175.35 176.53 2wc3 n THR 320 N 0.30 0.00 0.21 2.17 -2.24 -0.65 -4.88 114.28 109.19 2wc3 n THR 320 Ca -0.14 -1.07 0.12 0.00 -2.27 0.00 0.00 64.05 60.70 2wc3 n THR 320 Cb 0.58 -1.37 0.64 0.00 -2.10 0.00 0.00 70.33 68.07 2wc3 n THR 320 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wc3 h ALA 321 N -1.48 1.00 0.00 6.98 0.00 -1.39 0.23 119.26 124.60 2wc3 h ALA 321 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2wc3 h ALA 321 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2wc3 h ALA 321 CO 0.30 0.00 -0.06 -1.33 0.00 0.00 0.00 179.25 178.16 2wc3 n MET 322 N -2.34 0.01 -1.02 0.00 2.81 -1.26 -4.93 117.12 110.39 2wc3 n MET 322 Ca -0.01 0.01 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 2wc3 n MET 322 Cb 0.06 -1.51 -0.00 0.00 -0.71 0.00 0.00 33.22 31.06 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 1.49 0.48 3.73 3.03 0.00 0.81 -5.03 105.19 109.71 2wc3 n GLY 323 Ca 0.07 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.93 3.72 0.32 1.61 0.51 -1.26 -4.77 118.94 117.15 2wc3 s TRP 324 Ca 0.00 1.54 -0.28 0.00 -2.12 0.00 0.00 56.10 55.24 2wc3 s TRP 324 Cb 0.00 -2.90 -0.09 0.00 -0.81 0.00 0.00 33.47 29.66 2wc3 s TRP 324 CO 0.00 0.20 1.14 -1.21 -0.51 0.00 0.00 176.95 176.57 2wc3 s GLU 325 N 0.21 4.43 -0.41 4.98 2.02 -1.26 -1.64 118.70 127.03 2wc3 s GLU 325 Ca 0.42 1.85 -0.17 0.00 0.02 0.00 0.00 54.97 57.09 2wc3 s GLU 325 Cb -0.21 -3.00 0.02 0.00 0.10 0.00 0.00 34.13 31.04 2wc3 s GLU 325 CO 0.24 0.01 0.43 0.42 0.02 0.00 0.00 175.26 176.38 2wc3 s ILE 326 N -1.26 5.09 -0.41 -1.63 1.01 0.18 -3.44 121.20 120.74 2wc3 s ILE 326 Ca 0.49 -0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.86 2wc3 s ILE 326 Cb -0.32 -4.02 0.16 0.00 0.01 0.00 0.00 42.46 38.29 2wc3 s ILE 326 CO 0.41 -0.40 0.30 -0.69 0.00 0.00 0.00 174.94 174.57 2wc3 s VAL 327 N 2.14 0.45 0.30 2.92 1.01 -1.26 -4.73 120.40 121.22 2wc3 s VAL 327 Ca 0.12 -2.44 -0.01 0.00 0.00 0.00 0.00 61.98 59.64 2wc3 s VAL 327 Cb -0.17 -1.32 0.23 0.00 0.00 0.00 0.00 36.38 35.12 2wc3 s VAL 327 CO 0.13 -1.14 1.93 -0.65 0.00 0.00 0.00 175.10 175.38 2wc3 h PRO 328 N 6.08 0.98 0.00 2.72 0.11 -1.93 -0.57 132.00 139.40 2wc3 h PRO 328 Ca 0.19 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2wc3 h PRO 328 Cb 0.92 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2wc3 h PRO 328 CO 0.36 0.71 0.11 1.05 -0.21 0.00 0.00 178.00 180.02 2wc3 h GLU 329 N 1.00 0.00 -0.92 1.05 9.09 -1.94 -1.28 114.58 121.58 2wc3 h GLU 329 Ca 0.26 0.00 0.09 0.00 0.05 0.00 0.00 59.36 59.75 2wc3 h GLU 329 Cb -0.00 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.03 2wc3 h GLU 329 CO -0.04 0.00 0.56 0.78 0.05 0.00 0.00 179.01 180.36 2wc3 h GLY 330 N 0.00 1.43 1.80 1.06 0.00 -1.50 -0.70 103.07 105.16 2wc3 h GLY 330 Ca 0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 46.84 2wc3 h GLY 330 CO 0.00 0.21 -0.37 1.19 0.00 0.00 0.00 176.54 177.57 2wc3 h ILE 331 N 0.97 1.29 -0.09 2.60 2.10 -1.41 -0.54 117.51 122.43 2wc3 h ILE 331 Ca 0.42 -1.42 -0.01 0.00 1.08 0.00 0.00 64.86 64.93 2wc3 h ILE 331 Cb 0.31 1.63 -0.00 0.00 -1.09 0.00 0.00 36.82 37.66 2wc3 h ILE 331 CO -0.22 0.43 0.02 0.22 -1.08 0.00 0.00 178.15 177.52 2wc3 h TYR 332 N 0.19 0.16 -0.40 2.19 5.03 -1.44 -2.25 116.97 120.45 2wc3 h TYR 332 Ca 0.02 -0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.33 2wc3 h TYR 332 Cb 0.76 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.96 2wc3 h TYR 332 CO 0.01 0.34 0.23 2.35 -1.32 0.00 0.00 178.16 179.76 2wc3 h TRP 333 N -0.07 0.42 -0.27 -3.82 7.01 -0.68 -1.38 115.95 117.18 2wc3 h TRP 333 Ca 0.03 0.01 -0.10 0.00 2.11 0.00 0.00 58.89 60.94 2wc3 h TRP 333 Cb 0.26 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.17 2wc3 h TRP 333 CO 0.01 0.24 -0.26 0.97 -2.79 0.00 0.00 178.44 176.60 2wc3 h ILE 334 N 0.46 1.27 -0.22 2.65 6.09 -1.15 0.71 117.51 127.32 2wc3 h ILE 334 Ca 0.16 -1.30 -0.04 0.00 -1.37 0.00 0.00 64.86 62.32 2wc3 h ILE 334 Cb 0.03 1.35 -0.01 0.00 0.47 0.00 0.00 36.82 38.67 2wc3 h ILE 334 CO -0.09 0.42 -0.01 -0.07 -3.07 0.00 0.00 178.15 175.33 2wc3 h LEU 335 N 0.45 0.38 0.05 2.19 3.38 -0.99 -1.20 115.31 119.58 2wc3 h LEU 335 Ca 0.06 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 2wc3 h LEU 335 Cb 0.69 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2wc3 h LEU 335 CO 0.05 0.61 -0.02 0.11 0.09 0.00 0.00 178.44 179.28 2wc3 h LYS 336 N 0.15 -0.07 -0.52 1.13 1.79 -1.08 -2.99 116.57 114.98 2wc3 h LYS 336 Ca 0.06 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.60 2wc3 h LYS 336 Cb 0.42 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.03 2wc3 h LYS 336 CO 0.01 -0.04 0.19 -0.22 -1.08 0.00 0.00 179.45 178.32 2wc3 h LYS 337 N -0.07 0.36 -0.85 3.15 1.63 -0.81 -1.19 116.57 118.78 2wc3 h LYS 337 Ca -0.01 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 2wc3 h LYS 337 Cb 0.06 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.57 2wc3 h LYS 337 CO 0.01 0.24 0.41 -0.24 -3.45 0.00 0.00 179.45 176.43 2wc3 h VAL 338 N 0.38 1.26 -0.07 2.00 3.04 -1.09 0.63 116.25 122.40 2wc3 h VAL 338 Ca 0.25 -0.72 -0.01 0.00 -1.01 0.00 0.00 66.70 65.21 2wc3 h VAL 338 Cb 0.26 0.16 -0.00 0.00 -2.01 0.00 0.00 31.29 29.70 2wc3 h VAL 338 CO -0.25 0.31 0.02 0.50 -1.01 0.00 0.00 177.57 177.14 2wc3 h LYS 339 N 1.21 0.11 -0.49 4.17 3.64 -1.32 0.14 116.57 124.03 2wc3 h LYS 339 Ca 0.29 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.70 2wc3 h LYS 339 Cb 0.11 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.87 2wc3 h LYS 339 CO -0.04 0.30 0.23 1.49 -2.27 0.00 0.00 179.45 179.15 2wc3 h GLU 340 N -0.10 0.43 0.12 1.90 4.81 -0.85 0.17 114.58 121.06 2wc3 h GLU 340 Ca 0.02 -0.03 -0.22 0.00 -0.13 0.00 0.00 59.36 59.00 2wc3 h GLU 340 Cb 0.24 -0.10 0.02 0.00 0.63 0.00 0.00 28.75 29.54 2wc3 h GLU 340 CO 0.00 0.29 -0.94 0.93 -0.73 0.00 0.00 179.01 178.55 2wc3 h GLU 341 N 0.44 0.43 0.00 1.92 5.08 -0.81 -3.41 114.58 118.24 2wc3 h GLU 341 Ca 0.22 -0.62 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2wc3 h GLU 341 Cb 0.16 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2wc3 h GLU 341 CO -0.18 1.27 0.00 0.66 -1.00 0.00 0.00 179.01 179.76 2wc3 n TYR 342 N -4.02 0.00 -4.03 4.33 4.01 0.44 -5.05 117.16 112.84 2wc3 n TYR 342 Ca -0.13 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.24 2wc3 n TYR 342 Cb 0.86 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.88 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 -0.51 -2.42 -4.76 7.72 5.15 0.61 -4.89 115.26 116.16 2wc3 n ASN 343 Ca 0.00 -1.09 -0.37 0.00 -0.60 0.00 0.00 54.58 52.52 2wc3 n ASN 343 Cb 0.02 -1.31 0.02 0.00 -0.53 0.00 0.00 39.78 37.97 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 -6.99 3.41 0.47 1.20 0.04 -1.26 -4.89 135.00 126.97 2wc3 s PRO 344 Ca 0.32 1.96 0.23 0.00 0.04 0.00 0.00 61.00 63.55 2wc3 s PRO 344 Cb -0.18 -2.28 1.15 0.00 0.04 0.00 0.00 34.50 33.22 2wc3 s PRO 344 CO 0.82 -0.89 1.95 -1.00 0.04 0.00 0.00 177.00 177.92 2wc3 h PRO 345 N 1.66 0.00 -3.32 0.56 0.13 -1.90 -3.43 132.00 125.70 2wc3 h PRO 345 Ca -0.50 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.48 2wc3 h PRO 345 Cb 1.27 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.18 2wc3 h PRO 345 CO 0.58 0.21 -0.45 -1.21 -0.23 0.00 0.00 178.00 176.90 2wc3 s GLU 346 N -4.07 0.41 0.02 0.86 2.02 -1.26 -4.86 118.70 111.83 2wc3 s GLU 346 Ca -0.02 -0.08 0.01 0.00 0.02 0.00 0.00 54.97 54.90 2wc3 s GLU 346 Cb 0.13 0.18 -0.01 0.00 0.10 0.00 0.00 34.13 34.53 2wc3 s GLU 346 CO 0.63 -0.09 -0.05 0.08 0.02 0.00 0.00 175.26 175.86 2wc3 s VAL 347 N -0.75 0.32 0.03 2.63 1.01 -1.01 -1.40 120.40 121.23 2wc3 s VAL 347 Ca -0.08 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.33 2wc3 s VAL 347 Cb -0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 2wc3 s VAL 347 CO 0.01 -0.21 -0.16 -0.31 0.00 0.00 0.00 175.10 174.43 2wc3 s TYR 348 N -0.82 1.42 -0.49 5.22 1.51 -0.62 -0.57 117.35 123.00 2wc3 s TYR 348 Ca -0.06 -0.34 -0.26 0.00 -1.01 0.00 0.00 57.07 55.39 2wc3 s TYR 348 Cb -0.06 -0.85 0.03 0.00 -0.11 0.00 0.00 41.96 40.96 2wc3 s TYR 348 CO -0.00 0.04 1.00 0.42 -1.11 0.00 0.00 175.55 175.91 2wc3 s ILE 349 N -0.76 4.35 -0.60 2.71 -1.09 -0.54 -0.77 121.20 124.50 2wc3 s ILE 349 Ca 0.04 0.79 0.23 0.00 -2.23 0.00 0.00 60.65 59.48 2wc3 s ILE 349 Cb -0.08 -4.52 -0.12 0.00 -1.58 0.00 0.00 42.46 36.16 2wc3 s ILE 349 CO 0.01 -0.98 1.00 0.35 -1.23 0.00 0.00 174.94 174.10 2wc3 n THR 350 N 6.51 0.16 -3.70 2.92 -2.24 -0.42 -0.35 114.28 117.16 2wc3 n THR 350 Ca 0.07 -0.24 -0.11 0.00 -2.27 0.00 0.00 64.05 61.49 2wc3 n THR 350 Cb 0.49 0.23 -0.10 0.00 -2.10 0.00 0.00 70.33 68.84 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 -3.20 0.47 -0.22 -0.78 2.02 -1.25 -4.65 118.70 111.09 2wc3 s GLU 351 Ca 0.03 0.76 -0.18 0.00 0.02 0.00 0.00 54.97 55.60 2wc3 s GLU 351 Cb 0.14 0.11 0.06 0.00 0.10 0.00 0.00 34.13 34.54 2wc3 s GLU 351 CO 0.81 -0.12 0.57 1.21 0.02 0.00 0.00 175.26 177.75 2wc3 s ASN 352 N 0.93 -0.65 0.00 -0.19 3.84 -1.06 -1.52 114.94 116.29 2wc3 s ASN 352 Ca -0.06 1.18 0.00 0.00 0.21 0.00 0.00 52.86 54.20 2wc3 s ASN 352 Cb -0.06 1.15 0.00 0.00 -0.55 0.00 0.00 41.25 41.79 2wc3 s ASN 352 CO -0.08 -0.21 0.00 0.61 -2.79 0.00 0.00 177.10 174.64 2wc3 n GLY 353 N 3.25 -1.34 3.43 1.21 0.00 -1.25 -0.54 105.19 109.94 2wc3 n GLY 353 Ca -0.16 -0.96 -0.15 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.39 -1.37 -0.24 4.61 0.00 -1.26 -4.90 121.76 117.21 2wc3 s ALA 354 Ca 0.00 1.22 -0.10 0.00 0.00 0.00 0.00 51.96 53.08 2wc3 s ALA 354 Cb 0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 2wc3 s ALA 354 CO 0.00 -0.30 0.16 0.00 0.00 0.00 0.00 175.76 175.62 2wc3 s ALA 355 N -0.53 3.60 0.19 0.00 0.00 -1.26 -4.42 121.76 119.35 2wc3 s ALA 355 Ca -0.06 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.06 2wc3 s ALA 355 Cb -0.03 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.74 2wc3 s ALA 355 CO 0.04 -0.18 -0.06 -0.06 0.00 0.00 0.00 175.76 175.50 2wc3 s PHE 356 N 1.03 1.45 -1.30 0.00 0.08 -1.23 -0.93 117.98 117.09 2wc3 s PHE 356 Ca 0.07 -0.81 -0.18 0.00 0.12 0.00 0.00 56.93 56.14 2wc3 s PHE 356 Cb -0.13 -0.78 0.08 0.00 -0.57 0.00 0.00 43.02 41.61 2wc3 s PHE 356 CO 0.04 0.06 1.73 -0.25 -0.10 0.00 0.00 175.22 176.71 2wc3 n ASP 357 N -0.32 4.93 -4.75 1.36 8.00 -1.26 -4.59 116.55 119.93 2wc3 n ASP 357 Ca -0.08 -2.92 -0.38 0.00 0.71 0.00 0.00 54.79 52.12 2wc3 n ASP 357 Cb 0.62 -1.74 0.04 0.00 -0.02 0.00 0.00 41.12 40.03 2wc3 n ASP 357 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2wc3 s ASP 358 N 4.10 5.22 -0.06 -2.24 1.01 -1.26 -5.03 116.67 118.42 2wc3 s ASP 358 Ca 0.53 2.70 0.03 0.00 0.71 0.00 0.00 52.55 56.52 2wc3 s ASP 358 Cb 0.04 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.34 2wc3 s ASP 358 CO 0.07 -1.60 -0.15 0.54 0.21 0.00 0.00 175.17 174.24 2wc3 s VAL 359 N -1.34 1.31 -0.25 -1.27 0.11 -1.26 -5.10 120.40 112.60 2wc3 s VAL 359 Ca 0.73 -0.61 -0.25 0.00 -2.93 0.00 0.00 61.98 58.92 2wc3 s VAL 359 Cb -0.39 -1.16 -0.00 0.00 -1.53 0.00 0.00 36.38 33.30 2wc3 s VAL 359 CO 0.45 0.39 0.84 -0.69 -3.33 0.00 0.00 175.10 172.76 2wc3 s VAL 360 N 0.39 4.82 0.58 2.04 1.01 -1.26 -4.06 120.40 123.93 2wc3 s VAL 360 Ca -0.11 1.58 -0.03 0.00 0.00 0.00 0.00 61.98 63.42 2wc3 s VAL 360 Cb -0.14 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.13 2wc3 s VAL 360 CO 0.04 -0.09 0.85 -0.94 0.00 0.00 0.00 175.10 174.96 2wc3 s SER 361 N 1.35 5.36 0.41 3.32 1.04 -0.43 -4.89 113.70 119.86 2wc3 s SER 361 Ca 0.35 0.37 0.13 0.00 0.48 0.00 0.00 55.95 57.29 2wc3 s SER 361 Cb -0.15 -1.30 0.98 0.00 0.10 0.00 0.00 66.02 65.65 2wc3 s SER 361 CO 0.08 -1.15 1.93 -0.08 0.98 0.00 0.00 173.24 174.99 2wc3 h GLU 362 N -0.11 0.48 0.00 4.02 4.81 -1.96 1.29 114.58 123.10 2wc3 h GLU 362 Ca -0.44 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2wc3 h GLU 362 Cb 1.28 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2wc3 h GLU 362 CO 0.58 0.32 0.00 -0.40 -0.73 0.00 0.00 179.01 178.77 2wc3 n ASP 363 N -4.49 0.04 0.00 1.04 5.68 -1.26 -4.83 116.55 112.74 2wc3 n ASP 363 Ca 0.13 0.52 0.00 0.00 -0.50 0.00 0.00 54.79 54.94 2wc3 n ASP 363 Cb 0.45 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 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 -1.00 0.56 3.97 6.12 0.00 0.44 -5.04 105.19 110.24 2wc3 n GLY 364 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.11 3.28 -0.43 1.61 1.81 -1.25 -4.81 118.95 119.05 2wc3 s ARG 365 Ca 0.00 -0.68 -0.02 0.00 -1.72 0.00 0.00 55.73 53.31 2wc3 s ARG 365 Cb 0.00 -2.75 0.11 0.00 -0.45 0.00 0.00 34.95 31.86 2wc3 s ARG 365 CO 0.00 0.12 0.21 0.08 -0.68 0.00 0.00 175.30 175.03 2wc3 s VAL 366 N -2.23 3.15 -0.82 3.52 1.01 -1.26 -1.32 120.40 122.45 2wc3 s VAL 366 Ca 0.41 -2.25 -0.23 0.00 0.00 0.00 0.00 61.98 59.92 2wc3 s VAL 366 Cb -0.09 -3.17 0.07 0.00 0.00 0.00 0.00 36.38 33.19 2wc3 s VAL 366 CO 0.33 -0.70 1.17 -1.00 0.00 0.00 0.00 175.10 174.90 2wc3 s HIS 367 N 0.92 2.68 -0.61 5.22 3.76 -1.26 -0.96 115.29 125.05 2wc3 s HIS 367 Ca 0.10 -0.73 0.03 0.00 -0.15 0.00 0.00 55.06 54.31 2wc3 s HIS 367 Cb -0.22 -4.44 0.37 0.00 1.11 0.00 0.00 32.58 29.40 2wc3 s HIS 367 CO -0.05 -1.75 1.26 -0.40 -0.85 0.00 0.00 174.74 172.96 2wc3 n ASP 368 N 7.98 5.33 -0.18 1.40 5.75 -1.26 -4.81 116.55 130.75 2wc3 n ASP 368 Ca 0.12 -3.72 0.24 0.00 -0.01 0.00 0.00 54.79 51.42 2wc3 n ASP 368 Cb 0.48 -0.66 0.64 0.00 -1.03 0.00 0.00 41.12 40.55 2wc3 n ASP 368 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 2wc3 h GLN 369 N 2.95 0.16 -0.84 0.11 7.50 -1.97 -0.75 115.11 122.27 2wc3 h GLN 369 Ca 0.31 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.45 2wc3 h GLN 369 Cb 0.59 -0.04 -0.04 0.00 0.05 0.00 0.00 27.48 28.04 2wc3 h GLN 369 CO 0.96 0.10 0.53 -2.95 -1.50 0.00 0.00 178.83 175.97 2wc3 h ASN 370 N 0.16 0.98 -0.08 1.46 7.08 -2.00 0.18 115.58 123.36 2wc3 h ASN 370 Ca 0.43 -0.04 -0.13 0.00 -3.08 0.00 0.00 56.30 53.47 2wc3 h ASN 370 Cb 1.42 -0.25 -0.01 0.00 -2.08 0.00 0.00 38.32 37.40 2wc3 h ASN 370 CO -0.08 0.73 -0.39 -0.09 -2.08 0.00 0.00 177.43 175.53 2wc3 h ARG 371 N 1.15 0.60 -0.48 4.14 2.43 -1.54 -2.21 114.38 118.47 2wc3 h ARG 371 Ca 0.30 -0.30 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2wc3 h ARG 371 Cb -0.09 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 2wc3 h ARG 371 CO -0.06 0.89 0.17 0.82 -1.51 0.00 0.00 179.97 180.28 2wc3 h ILE 372 N 0.50 1.22 -0.76 1.20 2.04 -0.91 -0.60 117.51 120.19 2wc3 h ILE 372 Ca 0.05 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 2wc3 h ILE 372 Cb 0.89 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 2wc3 h ILE 372 CO 0.08 0.26 0.34 0.44 0.00 0.00 0.00 178.15 179.27 2wc3 h ASP 373 N 0.64 1.01 -0.24 1.72 3.32 -0.54 0.70 116.42 123.02 2wc3 h ASP 373 Ca 0.16 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 2wc3 h ASP 373 Cb 0.23 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2wc3 h ASP 373 CO -0.01 0.87 0.05 0.22 -1.72 0.00 0.00 179.24 178.65 2wc3 h TYR 374 N 1.09 0.41 -0.26 4.55 5.03 -1.12 -1.89 116.97 124.77 2wc3 h TYR 374 Ca 0.26 -0.05 -0.08 0.00 2.58 0.00 0.00 58.73 61.44 2wc3 h TYR 374 Cb 0.15 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.31 2wc3 h TYR 374 CO 0.01 0.49 -0.16 -0.07 -1.32 0.00 0.00 178.16 177.11 2wc3 h LEU 375 N 0.20 0.60 -0.47 2.82 3.38 -0.60 -2.72 115.31 118.52 2wc3 h LEU 375 Ca 0.07 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.67 2wc3 h LEU 375 Cb 0.29 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 2wc3 h LEU 375 CO 0.00 0.90 0.20 0.50 0.09 0.00 0.00 178.44 180.13 2wc3 h LYS 376 N 0.30 0.39 -0.60 1.13 3.64 -0.87 0.12 116.57 120.68 2wc3 h LYS 376 Ca 0.05 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2wc3 h LYS 376 Cb 0.69 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 2wc3 h LYS 376 CO 0.05 0.26 0.12 0.00 -2.27 0.00 0.00 179.45 177.61 2wc3 h ALA 377 N 1.28 1.09 -0.14 5.00 0.00 -1.28 -2.00 119.26 123.21 2wc3 h ALA 377 Ca 0.21 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2wc3 h ALA 377 Cb 0.17 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2wc3 h ALA 377 CO -0.19 0.60 -0.36 0.45 0.00 0.00 0.00 179.25 179.75 2wc3 h HIS 378 N 0.90 0.63 -0.90 0.00 3.86 -1.08 -2.42 115.15 116.13 2wc3 h HIS 378 Ca 0.19 -0.24 0.09 0.00 -1.16 0.00 0.00 60.37 59.24 2wc3 h HIS 378 Cb 0.36 -0.11 -0.06 0.00 1.06 0.00 0.00 27.41 28.65 2wc3 h HIS 378 CO 0.02 0.98 0.58 0.82 0.86 0.00 0.00 177.93 181.20 2wc3 h ILE 379 N 0.10 0.99 -0.42 2.45 2.04 -0.76 0.23 117.51 122.14 2wc3 h ILE 379 Ca -0.01 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 2wc3 h ILE 379 Cb 0.98 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2wc3 h ILE 379 CO 0.08 0.17 0.07 1.23 0.00 0.00 0.00 178.15 179.70 2wc3 h GLY 380 N 0.93 0.75 0.97 5.37 0.00 -1.22 0.09 103.07 109.96 2wc3 h GLY 380 Ca 0.41 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 47.15 2wc3 h GLY 380 CO -0.17 0.46 -0.15 1.46 0.00 0.00 0.00 176.54 178.14 2wc3 h GLN 381 N 0.56 0.74 -0.86 4.80 1.08 -0.92 -2.04 115.11 118.47 2wc3 h GLN 381 Ca 0.13 -0.31 0.20 0.00 -1.45 0.00 0.00 58.65 57.22 2wc3 h GLN 381 Cb 0.37 -0.03 -0.12 0.00 -0.05 0.00 0.00 27.48 27.65 2wc3 h GLN 381 CO 0.01 0.92 0.34 0.00 -0.95 0.00 0.00 178.83 179.15 2wc3 h ALA 382 N 0.80 1.31 -0.51 3.87 0.00 -0.81 -2.57 119.26 121.36 2wc3 h ALA 382 Ca 0.09 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2wc3 h ALA 382 Cb 0.68 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2wc3 h ALA 382 CO 0.05 -0.33 0.26 2.35 0.00 0.00 0.00 179.25 181.58 2wc3 h TRP 383 N 0.38 0.72 -0.72 0.00 7.01 -0.46 -2.39 115.95 120.49 2wc3 h TRP 383 Ca 0.52 -0.03 0.09 0.00 2.11 0.00 0.00 58.89 61.58 2wc3 h TRP 383 Cb 0.96 -0.23 -0.07 0.00 -2.10 0.00 0.00 29.16 27.73 2wc3 h TRP 383 CO -0.17 0.55 0.37 -0.22 -2.79 0.00 0.00 178.44 176.19 2wc3 h LYS 384 N 0.68 0.63 -0.79 2.65 3.64 -1.05 -1.40 116.57 120.93 2wc3 h LYS 384 Ca 0.18 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2wc3 h LYS 384 Cb 0.09 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 2wc3 h LYS 384 CO -0.03 0.41 0.52 0.00 -2.27 0.00 0.00 179.45 178.09 2wc3 h ALA 385 N 1.42 1.44 -0.38 5.00 0.00 -1.06 -1.54 119.26 124.14 2wc3 h ALA 385 Ca 0.35 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 2wc3 h ALA 385 Cb 0.33 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2wc3 h ALA 385 CO -0.25 0.52 0.05 0.82 0.00 0.00 0.00 179.25 180.39 2wc3 h ILE 386 N 1.07 1.25 0.00 0.00 2.04 -0.95 -1.66 117.51 119.25 2wc3 h ILE 386 Ca 0.29 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.26 2wc3 h ILE 386 Cb -0.12 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2wc3 h ILE 386 CO -0.06 0.30 0.00 1.56 0.00 0.00 0.00 178.15 179.95 2wc3 h GLN 387 N 0.47 0.00 -0.44 2.37 1.08 -0.59 -1.15 115.11 116.85 2wc3 h GLN 387 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2wc3 h GLN 387 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 2wc3 h GLN 387 CO 0.01 0.00 0.00 0.39 -0.95 0.00 0.00 178.83 178.28 2wc3 n GLU 388 N -2.63 3.54 0.00 1.46 1.02 -0.64 -4.96 120.64 118.42 2wc3 n GLU 388 Ca -0.02 -2.80 0.00 0.00 -0.02 0.00 0.00 57.16 54.32 2wc3 n GLU 388 Cb 0.09 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 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 0.31 0.19 3.70 0.62 0.00 -0.43 -5.05 105.19 104.53 2wc3 n GLY 389 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 3.03 -1.59 1.61 1.01 -0.69 -4.90 120.40 116.88 2wc3 s VAL 390 Ca 0.00 0.63 -0.10 0.00 0.00 0.00 0.00 61.98 62.51 2wc3 s VAL 390 Cb 0.00 -3.40 -0.06 0.00 0.00 0.00 0.00 36.38 32.92 2wc3 s VAL 390 CO 0.00 0.02 2.83 -0.81 0.00 0.00 0.00 175.10 177.15 2wc3 n PRO 391 N 4.74 3.66 -2.38 2.72 -0.04 -1.26 -4.39 135.00 138.05 2wc3 n PRO 391 Ca 0.14 -2.34 -0.43 0.00 -0.04 0.00 0.00 63.50 60.83 2wc3 n PRO 391 Cb 0.41 -2.85 -0.02 0.00 -0.04 0.00 0.00 33.50 30.99 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 0.28 4.18 -0.01 1.53 2.96 -1.26 -2.41 118.68 123.94 2wc3 s LEU 392 Ca 0.66 1.72 0.22 0.00 -0.22 0.00 0.00 54.13 56.51 2wc3 s LEU 392 Cb 0.17 -3.54 -0.28 0.00 0.50 0.00 0.00 46.19 43.05 2wc3 s LEU 392 CO -0.07 -0.80 0.62 0.29 -1.32 0.00 0.00 176.35 175.08 2wc3 n LYS 393 N 6.71 0.51 -3.68 1.98 4.76 0.27 -4.97 118.16 123.74 2wc3 n LYS 393 Ca 0.14 -0.13 -0.01 0.00 -2.87 0.00 0.00 58.31 55.44 2wc3 n LYS 393 Cb 0.45 -1.54 -0.01 0.00 -1.84 0.00 0.00 35.03 32.09 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 -4.17 -0.33 -0.04 0.72 0.00 -1.26 -1.33 107.32 100.91 2wc3 s GLY 394 Ca -0.04 0.45 -0.00 0.00 0.00 0.00 0.00 44.72 45.13 2wc3 s GLY 394 CO 0.89 0.07 0.01 -0.47 0.00 0.00 0.00 173.10 173.60 2wc3 s TYR 395 N -2.81 0.38 -0.17 1.90 6.14 0.07 -1.46 117.35 121.40 2wc3 s TYR 395 Ca 0.13 -0.01 0.01 0.00 0.64 0.00 0.00 57.07 57.84 2wc3 s TYR 395 Cb 0.02 -0.52 0.01 0.00 0.42 0.00 0.00 41.96 41.89 2wc3 s TYR 395 CO -0.01 -0.18 -0.19 -0.06 0.64 0.00 0.00 175.55 175.74 2wc3 s PHE 396 N 1.39 2.76 0.11 4.97 0.40 0.53 -0.38 117.98 127.76 2wc3 s PHE 396 Ca -0.05 -1.45 -0.30 0.00 -0.60 0.00 0.00 56.93 54.53 2wc3 s PHE 396 Cb -0.13 -1.90 -0.06 0.00 0.51 0.00 0.00 43.02 41.44 2wc3 s PHE 396 CO -0.03 -0.70 1.08 0.08 0.70 0.00 0.00 175.22 176.35 2wc3 s VAL 397 N 1.12 4.16 -0.31 -0.44 1.01 -0.34 -2.55 120.40 123.06 2wc3 s VAL 397 Ca 0.01 1.72 -0.13 0.00 0.00 0.00 0.00 61.98 63.58 2wc3 s VAL 397 Cb -0.14 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 2wc3 s VAL 397 CO -0.08 0.23 0.25 0.86 0.00 0.00 0.00 175.10 176.37 2wc3 s TRP 398 N 0.27 3.22 0.20 5.22 -0.11 0.29 -1.05 118.94 126.99 2wc3 s TRP 398 Ca 0.51 0.02 0.01 0.00 1.22 0.00 0.00 56.10 57.86 2wc3 s TRP 398 Cb -0.27 -2.48 -0.05 0.00 -1.50 0.00 0.00 33.47 29.17 2wc3 s TRP 398 CO 0.32 -0.28 0.04 0.45 -4.62 0.00 0.00 176.95 172.86 2wc3 s SER 399 N 1.73 1.06 0.14 5.86 0.15 -0.73 -3.94 113.70 117.97 2wc3 s SER 399 Ca 0.08 -1.26 -0.19 0.00 0.70 0.00 0.00 55.95 55.29 2wc3 s SER 399 Cb -0.17 0.16 0.01 0.00 -1.71 0.00 0.00 66.02 64.32 2wc3 s SER 399 CO 0.11 -0.65 1.71 0.25 1.20 0.00 0.00 173.24 175.86 2wc3 h LEU 400 N 2.61 -0.12 -8.71 3.45 5.85 -1.66 0.21 115.31 116.93 2wc3 h LEU 400 Ca -0.37 0.06 -0.60 0.00 0.84 0.00 0.00 57.88 57.81 2wc3 h LEU 400 Cb 1.22 0.11 -0.23 0.00 0.37 0.00 0.00 40.66 42.13 2wc3 h LEU 400 CO 0.61 -0.03 -0.84 -0.76 -0.34 0.00 0.00 178.44 177.08 2wc3 s LEU 401 N -10.40 2.27 0.53 2.25 1.43 -1.26 -1.65 118.68 111.85 2wc3 s LEU 401 Ca -0.13 -0.67 -0.22 0.00 -1.03 0.00 0.00 54.13 52.08 2wc3 s LEU 401 Cb 0.11 -1.01 -0.06 0.00 0.03 0.00 0.00 46.19 45.26 2wc3 s LEU 401 CO 0.69 0.12 1.19 0.47 0.23 0.00 0.00 176.35 179.06 2wc3 n ASP 402 N 1.23 1.96 -0.78 2.29 8.00 -0.96 -3.82 116.55 124.47 2wc3 n ASP 402 Ca -0.19 0.96 0.00 0.00 0.71 0.00 0.00 54.79 56.27 2wc3 n ASP 402 Cb 0.53 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 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 -0.57 0.00 -4.55 -2.24 2.04 -1.26 -4.78 115.26 103.89 2wc3 n ASN 403 Ca 0.11 -0.78 -0.43 0.00 -0.44 0.00 0.00 54.58 53.04 2wc3 n ASN 403 Cb 0.44 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.65 2wc3 n ASN 403 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 2wc3 s PHE 404 N -7.52 2.88 -1.25 -2.53 5.36 -0.61 -4.49 117.98 109.81 2wc3 s PHE 404 Ca 0.00 0.28 -0.05 0.00 -0.96 0.00 0.00 56.93 56.20 2wc3 s PHE 404 Cb 0.00 -4.02 0.13 0.00 -0.34 0.00 0.00 43.02 38.79 2wc3 s PHE 404 CO 0.00 -1.19 2.37 -1.91 -1.46 0.00 0.00 175.22 173.03 2wc3 n GLU 405 N 7.29 4.53 0.00 10.12 4.07 0.18 -4.63 120.64 142.19 2wc3 n GLU 405 Ca 0.05 -3.48 0.00 0.00 -0.06 0.00 0.00 57.16 53.67 2wc3 n GLU 405 Cb 0.48 -2.59 0.00 0.00 -0.06 0.00 0.00 31.44 29.27 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 1.53 0.00 0.30 4.31 7.02 -1.26 -0.86 117.44 128.47 2wc3 n TRP 406 Ca 0.61 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 57.20 2wc3 n TRP 406 Cb 0.27 0.00 0.51 0.00 -2.42 0.00 0.00 31.31 29.66 2wc3 n TRP 406 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2wc3 n ALA 407 N 11.16 1.41 1.08 6.99 0.00 -1.26 -1.50 120.51 138.39 2wc3 n ALA 407 Ca 0.00 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.69 2wc3 n ALA 407 Cb 0.00 -1.34 0.37 0.00 0.00 0.00 0.00 19.45 18.48 2wc3 n ALA 407 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wc3 n GLU 408 N -2.20 0.20 0.00 0.00 -0.58 -0.04 -1.21 120.64 116.81 2wc3 n GLU 408 Ca 0.01 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 2wc3 n GLU 408 Cb 0.15 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 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 1.45 0.26 0.11 0.62 0.00 -0.56 -3.37 105.19 103.69 2wc3 n GLY 409 Ca 0.08 -0.90 0.15 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 0.00 0.43 1.61 4.01 -1.26 -0.65 117.16 121.30 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 -0.12 0.48 0.00 -0.31 0.00 0.00 39.34 39.39 2wc3 n TYR 410 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2wc3 h SER 411 N 0.52 0.00 -3.55 7.72 4.64 -1.87 -3.41 113.55 117.60 2wc3 h SER 411 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 2wc3 h SER 411 Cb 0.25 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.05 2wc3 h SER 411 CO 0.00 0.00 -0.69 -0.54 -0.87 0.00 0.00 176.83 174.73 2wc3 s LYS 412 N -3.30 2.98 -0.33 4.77 -0.14 -1.26 -5.04 119.74 117.43 2wc3 s LYS 412 Ca 0.06 -0.90 -0.11 0.00 -1.36 0.00 0.00 55.97 53.65 2wc3 s LYS 412 Cb 0.10 -3.17 -0.01 0.00 -1.68 0.00 0.00 37.83 33.07 2wc3 s LYS 412 CO 0.48 -0.41 0.20 1.03 -0.76 0.00 0.00 175.35 175.89 2wc3 s ARG 413 N 1.41 3.42 0.00 1.68 0.52 -1.26 -4.62 118.95 120.11 2wc3 s ARG 413 Ca 0.01 -0.68 0.18 0.00 -0.52 0.00 0.00 55.73 54.73 2wc3 s ARG 413 Cb -0.17 -3.70 -0.01 0.00 0.52 0.00 0.00 34.95 31.59 2wc3 s ARG 413 CO -0.01 -0.43 0.92 1.19 0.02 0.00 0.00 175.30 176.99 2wc3 n PHE 414 N 5.05 0.00 -1.78 -0.53 3.01 -1.26 -3.49 117.46 118.46 2wc3 n PHE 414 Ca -0.13 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 57.96 2wc3 n PHE 414 Cb 0.49 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.02 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 -2.09 2.86 0.00 1.37 0.00 -1.25 -1.77 107.32 106.44 2wc3 s GLY 415 Ca 0.15 1.23 0.27 0.00 0.00 0.00 0.00 44.72 46.36 2wc3 s GLY 415 CO 0.46 1.67 1.68 0.29 0.00 0.00 0.00 173.10 177.20 2wc3 n ILE 416 N -1.67 0.00 -4.52 0.90 -5.35 0.06 -4.74 119.36 104.04 2wc3 n ILE 416 Ca 0.14 -0.13 -0.30 0.00 -0.27 0.00 0.00 62.75 62.20 2wc3 n ILE 416 Cb 0.48 0.28 -0.17 0.00 -1.74 0.00 0.00 39.64 38.49 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 -2.41 1.68 0.25 7.28 1.01 -0.66 -1.22 120.40 126.34 2wc3 s VAL 417 Ca 0.28 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 2wc3 s VAL 417 Cb 0.20 -1.52 -0.09 0.00 0.00 0.00 0.00 36.38 34.97 2wc3 s VAL 417 CO 0.48 0.48 1.05 -0.47 0.00 0.00 0.00 175.10 176.63 2wc3 s TYR 418 N 0.94 3.72 -0.18 5.22 6.14 0.33 -2.26 117.35 131.25 2wc3 s TYR 418 Ca -0.07 1.76 -0.00 0.00 0.64 0.00 0.00 57.07 59.40 2wc3 s TYR 418 Cb -0.15 -3.18 0.01 0.00 0.42 0.00 0.00 41.96 39.05 2wc3 s TYR 418 CO -0.02 -0.22 -0.15 0.08 0.64 0.00 0.00 175.55 175.88 2wc3 s VAL 419 N -1.04 2.50 -0.48 3.14 1.01 -1.26 -0.41 120.40 123.87 2wc3 s VAL 419 Ca 0.44 -0.80 -0.23 0.00 0.00 0.00 0.00 61.98 61.39 2wc3 s VAL 419 Cb -0.30 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.04 2wc3 s VAL 419 CO 0.37 0.51 0.80 -0.62 0.00 0.00 0.00 175.10 176.16 2wc3 s ASP 420 N 1.23 6.38 0.12 3.32 -1.08 -0.01 -4.92 116.67 121.70 2wc3 s ASP 420 Ca 0.03 -0.23 0.23 0.00 -0.52 0.00 0.00 52.55 52.06 2wc3 s ASP 420 Cb -0.14 -2.39 0.91 0.00 -1.46 0.00 0.00 42.92 39.84 2wc3 s ASP 420 CO -0.08 -0.98 1.71 -1.22 0.52 0.00 0.00 175.17 175.13 2wc3 n TYR 421 N 6.83 0.43 0.05 -5.34 4.01 -1.26 0.11 117.16 121.99 2wc3 n TYR 421 Ca 0.01 0.15 -0.10 0.00 -0.16 0.00 0.00 57.90 57.80 2wc3 n TYR 421 Cb 0.48 -0.74 0.02 0.00 -0.31 0.00 0.00 39.34 38.79 2wc3 n TYR 421 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2wc3 h SER 422 N 0.00 0.51 0.00 7.72 4.64 -1.97 -3.36 113.55 121.09 2wc3 h SER 422 Ca 0.00 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2wc3 h SER 422 Cb 0.45 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2wc3 h SER 422 CO 0.00 1.08 -1.05 0.35 -0.87 0.00 0.00 176.83 176.34 2wc3 n THR 423 N -3.84 0.00 -0.95 2.95 -2.24 -0.95 -4.99 114.28 104.25 2wc3 n THR 423 Ca -0.04 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2wc3 n THR 423 Cb 0.71 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 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 -1.59 -0.55 -2.02 -0.78 1.13 0.31 -4.98 117.38 108.90 2wc3 n GLN 424 Ca -0.00 0.14 -0.41 0.00 -1.94 0.00 0.00 57.00 54.78 2wc3 n GLN 424 Cb 0.22 -3.61 -0.02 0.00 0.11 0.00 0.00 30.24 26.94 2wc3 n GLN 424 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2wc3 s LYS 425 N -0.64 4.28 -0.06 -1.09 1.02 -1.21 -4.76 119.74 117.27 2wc3 s LYS 425 Ca 0.00 2.31 -0.10 0.00 0.02 0.00 0.00 55.97 58.19 2wc3 s LYS 425 Cb 0.00 -3.08 -0.05 0.00 -0.52 0.00 0.00 37.83 34.19 2wc3 s LYS 425 CO 0.00 -0.35 0.26 1.03 -0.92 0.00 0.00 175.35 175.37 2wc3 s ARG 426 N -1.11 3.65 -0.11 1.68 3.00 -1.26 -0.83 118.95 123.96 2wc3 s ARG 426 Ca 0.55 0.10 -0.01 0.00 0.00 0.00 0.00 55.73 56.37 2wc3 s ARG 426 Cb -0.42 -3.19 0.03 0.00 0.00 0.00 0.00 34.95 31.37 2wc3 s ARG 426 CO 0.49 0.73 -0.04 0.42 0.00 0.00 0.00 175.30 176.91 2wc3 s ILE 427 N -1.07 0.80 0.03 1.52 1.01 0.45 -4.97 121.20 118.97 2wc3 s ILE 427 Ca 0.20 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.32 2wc3 s ILE 427 Cb -0.14 -0.91 -0.07 0.00 0.01 0.00 0.00 42.46 41.35 2wc3 s ILE 427 CO 0.09 0.26 1.51 -0.69 0.00 0.00 0.00 174.94 176.11 2wc3 s VAL 428 N 1.79 3.41 0.78 2.92 1.01 -1.26 -0.52 120.40 128.54 2wc3 s VAL 428 Ca 0.04 0.82 -0.12 0.00 0.00 0.00 0.00 61.98 62.73 2wc3 s VAL 428 Cb -0.13 -3.53 0.06 0.00 0.00 0.00 0.00 36.38 32.78 2wc3 s VAL 428 CO -0.07 -0.00 1.11 -0.54 0.00 0.00 0.00 175.10 175.60 2wc3 s LYS 429 N 2.49 2.20 0.40 2.72 1.02 -0.36 -4.51 119.74 123.70 2wc3 s LYS 429 Ca 0.68 0.47 0.12 0.00 0.02 0.00 0.00 55.97 57.26 2wc3 s LYS 429 Cb -0.35 -1.95 0.94 0.00 -0.52 0.00 0.00 37.83 35.95 2wc3 s LYS 429 CO 0.29 -1.50 1.94 -0.44 -0.92 0.00 0.00 175.35 174.72 2wc3 h ASP 430 N -1.00 0.49 -0.22 2.83 5.19 -1.35 0.64 116.42 123.01 2wc3 h ASP 430 Ca -0.47 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 55.94 2wc3 h ASP 430 Cb 1.28 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.69 2wc3 h ASP 430 CO 0.62 0.28 0.10 0.77 -3.12 0.00 0.00 179.24 177.88 2wc3 h SER 431 N 0.53 0.34 0.10 6.45 4.64 -1.82 -1.15 113.55 122.64 2wc3 h SER 431 Ca 0.34 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2wc3 h SER 431 Cb 0.61 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 2wc3 h SER 431 CO -0.12 0.32 -0.08 1.23 -0.87 0.00 0.00 176.83 177.32 2wc3 h GLY 432 N 0.54 -0.17 0.99 -0.77 0.00 -0.93 0.16 103.07 102.89 2wc3 h GLY 432 Ca 0.09 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 2wc3 h GLY 432 CO -0.01 -0.08 0.28 -0.97 0.00 0.00 0.00 176.54 175.76 2wc3 h TYR 433 N -0.18 0.60 -0.51 5.60 0.05 -1.30 -1.65 116.97 119.57 2wc3 h TYR 433 Ca -0.00 -0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.84 2wc3 h TYR 433 Cb 0.16 -0.20 -0.06 0.00 1.01 0.00 0.00 36.73 37.65 2wc3 h TYR 433 CO -0.10 0.42 0.19 2.35 -1.05 0.00 0.00 178.16 179.98 2wc3 h TRP 434 N 0.61 0.34 -0.27 4.88 7.01 -1.18 -2.47 115.95 124.87 2wc3 h TRP 434 Ca 0.16 0.02 -0.14 0.00 2.11 0.00 0.00 58.89 61.05 2wc3 h TRP 434 Cb -0.00 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 26.97 2wc3 h TRP 434 CO -0.03 0.12 -0.39 -0.92 -2.79 0.00 0.00 178.44 174.42 2wc3 h TYR 435 N 0.38 0.77 -0.88 2.65 3.20 -0.36 -1.64 116.97 121.08 2wc3 h TYR 435 Ca 0.24 -0.22 0.17 0.00 3.14 0.00 0.00 58.73 62.07 2wc3 h TYR 435 Cb 0.25 -0.16 -0.11 0.00 1.54 0.00 0.00 36.73 38.25 2wc3 h TYR 435 CO -0.15 0.94 0.44 1.03 -1.64 0.00 0.00 178.16 178.77 2wc3 h SER 436 N 0.53 0.49 -0.25 -2.11 0.87 -1.07 -1.17 113.55 110.84 2wc3 h SER 436 Ca 0.05 0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 60.63 2wc3 h SER 436 Cb 0.91 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.91 2wc3 h SER 436 CO 0.08 0.15 -0.19 0.78 -0.53 0.00 0.00 176.83 177.13 2wc3 h ASN 437 N 0.56 0.60 -0.60 6.23 2.35 -0.88 -1.31 115.58 122.53 2wc3 h ASN 437 Ca 0.51 -0.45 0.12 0.00 -0.55 0.00 0.00 56.30 55.93 2wc3 h ASN 437 Cb 0.81 -0.17 -0.12 0.00 0.05 0.00 0.00 38.32 38.90 2wc3 h ASN 437 CO -0.42 0.92 -0.18 0.58 -1.65 0.00 0.00 177.43 176.68 2wc3 h VAL 438 N 0.29 0.35 0.04 2.81 2.07 -0.75 0.34 116.25 121.39 2wc3 h VAL 438 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 2wc3 h VAL 438 Cb 0.72 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2wc3 h VAL 438 CO 0.05 0.00 -0.02 0.58 0.02 0.00 0.00 177.57 178.20 2wc3 h VAL 439 N -0.03 1.07 -0.71 2.57 2.07 -1.08 0.13 116.25 120.26 2wc3 h VAL 439 Ca 0.28 -0.34 0.09 0.00 0.82 0.00 0.00 66.70 67.56 2wc3 h VAL 439 Cb 0.47 1.30 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 2wc3 h VAL 439 CO -0.64 0.09 0.35 0.50 0.02 0.00 0.00 177.57 177.89 2wc3 h LYS 440 N -0.20 0.58 -0.20 1.57 3.64 -0.89 -1.46 116.57 119.62 2wc3 h LYS 440 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2wc3 h LYS 440 Cb 0.18 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2wc3 h LYS 440 CO 0.01 0.39 0.00 0.09 -2.27 0.00 0.00 179.45 177.66 2wc3 n ASN 441 N -4.86 1.50 -4.30 4.20 3.02 0.12 -4.92 115.26 110.01 2wc3 n ASN 441 Ca 0.11 -1.79 -0.33 0.00 -0.03 0.00 0.00 54.58 52.54 2wc3 n ASN 441 Cb 0.28 -0.13 -0.07 0.00 -0.61 0.00 0.00 39.78 39.24 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 0.25 -0.39 0.00 6.41 5.15 0.29 -4.72 115.26 122.25 2wc3 n ASN 442 Ca 0.14 -1.19 0.00 0.00 -0.60 0.00 0.00 54.58 52.92 2wc3 n ASN 442 Cb 0.28 -1.98 0.00 0.00 -0.53 0.00 0.00 39.78 37.54 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 -1.99 0.46 3.67 8.20 0.00 -0.33 -1.25 105.19 113.94 2wc3 n GLY 443 Ca -0.18 -1.65 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 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 3.53 0.00 0.99 1.43 -0.46 -4.33 118.68 119.84 2wc3 s LEU 444 Ca 0.00 0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.26 2wc3 s LEU 444 Cb 0.00 -1.82 0.04 0.00 0.03 0.00 0.00 46.19 44.44 2wc3 s LEU 444 CO 0.00 0.37 0.64 -0.62 0.23 0.00 0.00 176.35 176.97