#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 4.82 -0.36 2.41 0.11 -1.26 -4.23 120.40 121.89 2wc3 s VAL 3 Ca 0.00 2.05 0.00 0.00 -2.93 0.00 0.00 61.98 61.10 2wc3 s VAL 3 Cb 0.00 -4.32 0.13 0.00 -1.53 0.00 0.00 36.38 30.66 2wc3 s VAL 3 CO 0.00 0.07 0.19 -0.54 -3.33 0.00 0.00 175.10 171.49 2wc3 s LYS 4 N 1.62 0.75 0.08 1.54 1.02 -0.34 -4.98 119.74 119.43 2wc3 s LYS 4 Ca 0.50 -1.40 -0.24 0.00 0.02 0.00 0.00 55.97 54.85 2wc3 s LYS 4 Cb -0.19 -1.70 -0.06 0.00 -0.52 0.00 0.00 37.83 35.36 2wc3 s LYS 4 CO 0.22 -1.14 0.72 0.15 -0.92 0.00 0.00 175.35 174.38 2wc3 s LYS 5 N 1.05 4.46 0.59 1.68 3.01 -1.26 -0.77 119.74 128.50 2wc3 s LYS 5 Ca 0.16 1.01 -0.04 0.00 -1.01 0.00 0.00 55.97 56.08 2wc3 s LYS 5 Cb -0.22 -3.32 0.02 0.00 -1.01 0.00 0.00 37.83 33.30 2wc3 s LYS 5 CO -0.07 0.42 0.88 -0.06 0.51 0.00 0.00 175.35 177.03 2wc3 s PHE 6 N -0.51 3.14 0.57 3.18 0.40 -0.07 -5.00 117.98 119.70 2wc3 s PHE 6 Ca 0.36 0.48 -0.20 0.00 -0.60 0.00 0.00 56.93 56.97 2wc3 s PHE 6 Cb -0.21 -2.77 -0.05 0.00 0.51 0.00 0.00 43.02 40.51 2wc3 s PHE 6 CO 0.23 -0.88 1.18 -2.30 0.70 0.00 0.00 175.22 174.14 2wc3 n PRO 7 N -2.56 1.27 -1.70 0.24 -0.02 -1.26 -4.93 135.00 126.05 2wc3 n PRO 7 Ca 0.05 0.48 -0.43 0.00 -2.02 0.00 0.00 63.50 61.58 2wc3 n PRO 7 Cb 0.58 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 2wc3 n PRO 7 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wc3 n GLU 8 N -1.08 2.21 -0.43 -0.52 4.07 -1.26 -1.59 120.64 122.05 2wc3 n GLU 8 Ca 0.13 0.78 0.00 0.00 -0.06 0.00 0.00 57.16 58.01 2wc3 n GLU 8 Cb 0.46 -2.45 0.00 0.00 -0.06 0.00 0.00 31.44 29.38 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 1.78 1.60 3.62 8.31 0.00 -1.26 -5.00 105.19 114.24 2wc3 n GLY 9 Ca 0.09 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.63 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 1.74 -3.10 1.61 7.35 -0.62 -4.89 117.46 117.55 2wc3 n PHE 10 Ca 0.00 0.54 -0.44 0.00 -0.76 0.00 0.00 57.45 56.79 2wc3 n PHE 10 Cb 0.00 -2.38 -0.05 0.00 0.35 0.00 0.00 39.48 37.40 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 0.49 5.07 -0.15 -2.13 2.96 -0.26 -4.96 118.68 119.69 2wc3 s LEU 11 Ca 0.74 -1.12 -0.22 0.00 -0.22 0.00 0.00 54.13 53.31 2wc3 s LEU 11 Cb -0.78 -2.40 -0.03 0.00 0.50 0.00 0.00 46.19 43.48 2wc3 s LEU 11 CO 0.48 -1.05 0.65 0.26 -1.32 0.00 0.00 176.35 175.37 2wc3 s TRP 12 N 2.83 3.45 0.12 5.38 0.52 -1.26 -1.20 118.94 128.78 2wc3 s TRP 12 Ca 0.15 1.04 0.03 0.00 0.02 0.00 0.00 56.10 57.33 2wc3 s TRP 12 Cb -0.21 -2.79 -0.01 0.00 -1.15 0.00 0.00 33.47 29.31 2wc3 s TRP 12 CO 0.10 -0.07 0.10 0.41 0.02 0.00 0.00 176.95 177.51 2wc3 n GLY 13 N 3.51 3.63 3.08 0.98 0.00 0.20 -1.53 105.19 115.06 2wc3 n GLY 13 Ca -0.02 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 2wc3 n GLY 13 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wc3 s VAL 14 N -2.48 0.52 0.06 1.61 -7.23 -0.78 -1.61 120.40 110.49 2wc3 s VAL 14 Ca 0.14 -1.30 0.06 0.00 -1.81 0.00 0.00 61.98 59.07 2wc3 s VAL 14 Cb 0.01 -0.87 -0.03 0.00 0.56 0.00 0.00 36.38 36.05 2wc3 s VAL 14 CO 0.10 -0.54 -0.18 0.00 -0.31 0.00 0.00 175.10 174.18 2wc3 s ALA 15 N -2.04 1.48 0.29 1.32 0.00 0.76 -1.27 121.76 122.30 2wc3 s ALA 15 Ca -0.05 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 50.92 2wc3 s ALA 15 Cb -0.06 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2wc3 s ALA 15 CO -0.01 0.29 0.18 0.95 0.00 0.00 0.00 175.76 177.17 2wc3 s THR 16 N -0.99 0.19 0.07 0.00 -4.23 0.04 -2.43 115.64 108.29 2wc3 s THR 16 Ca 0.04 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.59 2wc3 s THR 16 Cb -0.09 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.22 2wc3 s THR 16 CO 0.02 0.00 -0.11 0.00 -0.54 0.00 0.00 174.62 173.99 2wc3 s ALA 17 N -3.68 0.97 0.05 3.99 0.00 -1.26 -3.73 121.76 118.11 2wc3 s ALA 17 Ca 0.37 -0.97 -0.28 0.00 0.00 0.00 0.00 51.96 51.08 2wc3 s ALA 17 Cb 0.05 -0.02 -0.17 0.00 0.00 0.00 0.00 23.12 22.97 2wc3 s ALA 17 CO 0.19 0.06 1.51 0.66 0.00 0.00 0.00 175.76 178.18 2wc3 h SER 18 N 4.18 -0.45 0.13 0.00 4.64 -1.88 -2.30 113.55 117.87 2wc3 h SER 18 Ca -0.38 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 60.86 2wc3 h SER 18 Cb 1.19 0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2wc3 h SER 18 CO 0.43 -0.23 -0.08 0.22 -0.87 0.00 0.00 176.83 176.30 2wc3 h TYR 19 N -0.66 0.00 0.00 4.77 3.20 -1.93 0.21 116.97 122.55 2wc3 h TYR 19 Ca -0.05 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.68 2wc3 h TYR 19 Cb 0.48 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 2wc3 h TYR 19 CO -0.02 0.08 -0.65 1.96 -1.64 0.00 0.00 178.16 177.90 2wc3 h GLN 20 N 0.00 0.00 0.00 1.82 4.20 -1.70 -3.38 115.11 116.05 2wc3 h GLN 20 Ca -0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 2wc3 h GLN 20 Cb 0.17 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 2wc3 h GLN 20 CO 0.01 0.65 -1.48 0.44 -0.67 0.00 0.00 178.83 177.78 2wc3 n ILE 21 N -3.33 0.47 -0.01 2.54 -5.35 -0.98 -1.76 119.36 110.95 2wc3 n ILE 21 Ca 0.01 -0.29 -0.13 0.00 -0.27 0.00 0.00 62.75 62.07 2wc3 n ILE 21 Cb 0.77 -0.79 -0.09 0.00 -1.74 0.00 0.00 39.64 37.78 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 0.02 0.00 6.28 5.08 -1.15 -1.15 114.58 123.66 2wc3 h GLU 22 Ca -0.19 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.20 2wc3 h GLU 22 Cb 1.41 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 2wc3 h GLU 22 CO 0.01 0.41 -0.04 0.41 -1.00 0.00 0.00 179.01 178.80 2wc3 n GLY 23 N -0.02 -1.38 4.16 -3.84 0.00 -1.20 -1.02 105.19 101.90 2wc3 n GLY 23 Ca -0.08 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 2wc3 n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wc3 n SER 24 N -1.89 0.37 0.22 1.61 7.64 -0.48 -4.70 113.62 116.39 2wc3 n SER 24 Ca 0.00 -1.16 0.13 0.00 1.01 0.00 0.00 58.87 58.85 2wc3 n SER 24 Cb 0.05 -2.22 0.75 0.00 -1.01 0.00 0.00 64.21 61.78 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 -1.82 0.00 -0.33 1.43 0.13 -1.83 -2.45 132.00 127.13 2wc3 h PRO 25 Ca -0.65 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 2wc3 h PRO 25 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2wc3 h PRO 25 CO 0.67 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.72 2wc3 n LEU 26 N -4.21 3.30 -4.74 1.56 4.77 -1.26 -4.70 117.00 111.71 2wc3 n LEU 26 Ca -0.00 -2.34 -0.38 0.00 -0.03 0.00 0.00 56.01 53.25 2wc3 n LEU 26 Cb 0.20 -0.34 0.04 0.00 -2.33 0.00 0.00 43.42 40.99 2wc3 n LEU 26 CO 0.32 0.72 0.96 0.00 -1.33 0.00 0.00 177.39 178.05 2wc3 n ALA 27 N 0.21 1.49 -3.90 -1.18 0.00 -0.93 -3.68 120.51 112.53 2wc3 n ALA 27 Ca 0.15 0.12 -0.29 0.00 0.00 0.00 0.00 53.44 53.42 2wc3 n ALA 27 Cb 0.59 -2.34 0.02 0.00 0.00 0.00 0.00 19.45 17.72 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 -1.04 -3.89 0.00 0.00 8.00 -1.26 -1.72 116.55 116.65 2wc3 n ASP 28 Ca 0.11 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.80 2wc3 n ASP 28 Cb 0.45 -3.81 0.00 0.00 -0.02 0.00 0.00 41.12 37.74 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 -1.67 0.86 3.67 0.44 0.00 -1.24 -4.68 105.19 102.56 2wc3 n GLY 29 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2wc3 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wc3 n ALA 30 N 0.86 0.86 -1.78 4.61 0.00 -0.70 -4.75 120.51 119.61 2wc3 n ALA 30 Ca 0.00 0.23 -0.31 0.00 0.00 0.00 0.00 53.44 53.36 2wc3 n ALA 30 Cb 0.00 -2.20 0.02 0.00 0.00 0.00 0.00 19.45 17.27 2wc3 n ALA 30 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wc3 s GLY 31 N -0.68 1.68 0.50 0.00 0.00 0.03 -4.72 107.32 104.12 2wc3 s GLY 31 Ca 0.63 -0.03 -0.23 0.00 0.00 0.00 0.00 44.72 45.10 2wc3 s GLY 31 CO 0.56 0.25 1.35 1.06 0.00 0.00 0.00 173.10 176.33 2wc3 s MET 32 N -5.09 3.44 0.31 2.90 -1.94 -1.26 -4.67 119.30 112.99 2wc3 s MET 32 Ca 0.56 2.24 0.06 0.00 -1.71 0.00 0.00 55.69 56.84 2wc3 s MET 32 Cb -0.12 -2.44 -0.01 0.00 2.01 0.00 0.00 34.83 34.27 2wc3 s MET 32 CO 0.53 -0.95 0.44 -1.54 -0.01 0.00 0.00 175.02 173.49 2wc3 s SER 33 N -0.84 6.04 0.57 3.03 1.04 -1.26 -0.34 113.70 121.94 2wc3 s SER 33 Ca 0.66 -0.13 0.34 0.00 0.48 0.00 0.00 55.95 57.31 2wc3 s SER 33 Cb -0.40 -1.38 1.70 0.00 0.10 0.00 0.00 66.02 66.04 2wc3 s SER 33 CO 0.49 -0.34 2.13 0.16 0.98 0.00 0.00 173.24 176.65 2wc3 h ILE 34 N 0.97 0.22 0.00 -1.02 3.07 -0.44 -1.55 117.51 118.76 2wc3 h ILE 34 Ca -0.47 -0.39 -0.15 0.00 1.55 0.00 0.00 64.86 65.40 2wc3 h ILE 34 Cb 1.25 1.31 -0.02 0.00 -0.27 0.00 0.00 36.82 39.09 2wc3 h ILE 34 CO 0.55 0.05 -0.69 -0.50 -1.05 0.00 0.00 178.15 176.50 2wc3 h TRP 35 N 0.00 0.00 -0.08 0.16 4.06 -1.83 -0.49 115.95 117.77 2wc3 h TRP 35 Ca -0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 2wc3 h TRP 35 Cb 0.31 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.46 2wc3 h TRP 35 CO 0.00 0.69 0.05 1.25 -3.56 0.00 0.00 178.44 176.87 2wc3 h HIS 36 N 0.00 0.11 -0.02 0.49 2.76 -1.69 -1.96 115.15 114.83 2wc3 h HIS 36 Ca -0.01 -0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.95 2wc3 h HIS 36 Cb 1.50 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 30.42 2wc3 h HIS 36 CO 0.00 0.12 -0.87 1.79 -1.30 0.00 0.00 177.93 177.67 2wc3 h THR 37 N 0.07 1.41 -0.15 6.26 1.35 -1.39 -2.48 112.91 117.98 2wc3 h THR 37 Ca 0.03 -2.39 -0.01 0.00 -0.55 0.00 0.00 66.41 63.49 2wc3 h THR 37 Cb 0.04 2.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.79 2wc3 h THR 37 CO -0.01 0.71 0.04 0.15 -0.25 0.00 0.00 175.52 176.17 2wc3 h PHE 38 N 0.22 0.25 0.00 4.73 3.57 -1.14 -2.68 116.94 121.89 2wc3 h PHE 38 Ca -0.06 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.29 2wc3 h PHE 38 Cb 1.48 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 40.14 2wc3 h PHE 38 CO 0.05 0.36 -0.59 0.66 -2.23 0.00 0.00 178.31 176.56 2wc3 h SER 39 N 0.06 0.00 -0.03 0.41 4.64 -1.38 -2.18 113.55 115.07 2wc3 h SER 39 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2wc3 h SER 39 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2wc3 h SER 39 CO -0.00 0.59 0.00 1.41 -0.87 0.00 0.00 176.83 177.96 2wc3 n HIS 40 N -3.61 0.04 -3.33 4.77 8.25 -0.94 -4.67 115.22 115.73 2wc3 n HIS 40 Ca -0.00 -0.02 -0.40 0.00 -0.26 0.00 0.00 57.72 57.04 2wc3 n HIS 40 Cb 0.64 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.66 2wc3 n HIS 40 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2wc3 s THR 41 N -1.96 5.12 0.30 1.59 2.01 -0.82 -5.05 115.64 116.82 2wc3 s THR 41 Ca 0.19 0.57 -0.28 0.00 0.31 0.00 0.00 61.69 62.47 2wc3 s THR 41 Cb 0.09 -3.79 -0.13 0.00 0.01 0.00 0.00 72.50 68.68 2wc3 s THR 41 CO 0.15 0.05 1.15 -2.65 -0.69 0.00 0.00 174.62 172.63 2wc3 n PRO 42 N 5.46 1.67 0.00 4.92 -0.02 -1.26 -2.57 135.00 143.20 2wc3 n PRO 42 Ca -0.07 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2wc3 n PRO 42 Cb 0.50 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 1.16 2.44 0.08 -1.23 0.00 -1.26 -4.93 105.19 101.45 2wc3 n GLY 43 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -4.17 1.61 2.35 -1.78 -3.46 115.58 110.13 2wc3 h ASN 44 Ca 0.00 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.23 2wc3 h ASN 44 Cb 0.00 0.00 -0.30 0.00 0.05 0.00 0.00 38.32 38.07 2wc3 h ASN 44 CO 0.00 0.87 -0.82 -0.69 -1.65 0.00 0.00 177.43 175.14 2wc3 s VAL 45 N -2.72 1.26 0.14 2.81 1.01 -1.26 -4.74 120.40 116.89 2wc3 s VAL 45 Ca -0.02 -0.67 -0.34 0.00 0.00 0.00 0.00 61.98 60.95 2wc3 s VAL 45 Cb 0.09 -1.06 -0.16 0.00 0.00 0.00 0.00 36.38 35.25 2wc3 s VAL 45 CO 0.81 0.36 1.24 1.17 0.00 0.00 0.00 175.10 178.68 2wc3 n LYS 46 N 2.82 1.17 -0.92 2.72 4.81 0.03 -1.21 118.16 127.57 2wc3 n LYS 46 Ca -0.15 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 2wc3 n LYS 46 Cb 0.54 -1.98 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 0.09 1.17 0.00 0.00 177.40 178.66 2wc3 n ASN 47 N 2.22 -3.63 -1.76 3.14 3.02 -1.26 -2.29 115.26 114.70 2wc3 n ASN 47 Ca 0.16 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.56 2wc3 n ASN 47 Cb 0.23 -2.15 -0.01 0.00 -0.61 0.00 0.00 39.78 37.23 2wc3 n ASN 47 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wc3 n GLY 48 N -0.90 -0.20 3.80 7.41 0.00 -0.35 -4.99 105.19 109.96 2wc3 n GLY 48 Ca 0.00 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.32 6.71 0.31 1.61 1.01 -0.97 -5.02 116.67 118.00 2wc3 s ASP 49 Ca 0.00 1.89 0.03 0.00 0.71 0.00 0.00 52.55 55.18 2wc3 s ASP 49 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 2wc3 s ASP 49 CO 0.00 -0.52 0.13 0.42 0.21 0.00 0.00 175.17 175.41 2wc3 s THR 50 N -1.90 0.52 -0.48 -1.27 -4.23 -1.26 -4.79 115.64 102.24 2wc3 s THR 50 Ca 0.61 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.20 2wc3 s THR 50 Cb -0.16 -2.56 0.48 0.00 1.34 0.00 0.00 72.50 71.60 2wc3 s THR 50 CO 0.21 0.00 1.33 0.61 -0.54 0.00 0.00 174.62 176.23 2wc3 n GLY 51 N -0.60 2.67 0.28 3.99 0.00 -1.26 -4.50 105.19 105.77 2wc3 n GLY 51 Ca -0.00 -0.59 0.03 0.00 0.00 0.00 0.00 46.02 45.45 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 2.02 0.53 0.00 1.61 5.19 -1.94 -3.28 116.42 120.55 2wc3 h ASP 52 Ca 0.09 0.06 -0.12 0.00 -0.62 0.00 0.00 57.03 56.44 2wc3 h ASP 52 Cb 1.58 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 41.04 2wc3 h ASP 52 CO 0.39 0.29 -1.19 0.52 -3.12 0.00 0.00 179.24 176.14 2wc3 n VAL 53 N -4.83 0.93 0.00 -1.35 0.31 -1.26 -1.38 118.33 110.75 2wc3 n VAL 53 Ca 0.13 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 2wc3 n VAL 53 Cb 0.30 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 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 -3.69 0.00 0.29 3.52 0.00 -1.26 0.05 120.51 119.43 2wc3 n ALA 54 Ca -0.17 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.37 2wc3 n ALA 54 Cb 0.49 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.20 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 1.15 -3.91 0.32 0.00 2.03 0.11 -4.80 116.55 111.46 2wc3 n ASP 56 Ca 0.19 0.21 0.21 0.00 0.52 0.00 0.00 54.79 55.92 2wc3 n ASP 56 Cb 0.49 -3.37 1.08 0.00 -0.72 0.00 0.00 41.12 38.61 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 0.00 0.00 -0.35 -0.67 -0.00 -0.97 0.91 115.15 114.07 2wc3 h HIS 57 Ca -0.30 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.06 2wc3 h HIS 57 Cb 1.16 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.55 2wc3 h HIS 57 CO 0.64 0.00 0.15 -0.92 -0.00 0.00 0.00 177.93 177.81 2wc3 h TYR 58 N 0.00 0.48 0.00 5.26 3.20 -1.32 -0.03 116.97 124.57 2wc3 h TYR 58 Ca -0.00 -0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.67 2wc3 h TYR 58 Cb 0.12 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 2wc3 h TYR 58 CO 0.00 0.38 -2.04 0.09 -1.64 0.00 0.00 178.16 174.94 2wc3 n ASN 59 N -4.41 0.18 -0.92 -2.11 3.02 -0.68 -4.60 115.26 105.74 2wc3 n ASN 59 Ca 0.02 0.08 0.08 0.00 -0.03 0.00 0.00 54.58 54.73 2wc3 n ASN 59 Cb 0.13 1.20 0.21 0.00 -0.61 0.00 0.00 39.78 40.70 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 -2.60 2.61 -0.31 3.52 1.74 0.23 -4.69 116.66 117.17 2wc3 n ARG 60 Ca -0.18 -2.22 0.15 0.00 -0.77 0.00 0.00 57.85 54.84 2wc3 n ARG 60 Cb 0.88 -1.39 0.32 0.00 -1.02 0.00 0.00 32.46 31.24 2wc3 n ARG 60 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 2wc3 h TRP 61 N 3.08 0.35 -0.31 -1.55 5.08 -1.24 -1.98 115.95 119.37 2wc3 h TRP 61 Ca 0.00 0.05 -0.04 0.00 1.08 0.00 0.00 58.89 59.98 2wc3 h TRP 61 Cb 0.83 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 26.97 2wc3 h TRP 61 CO 0.30 -0.26 0.02 -0.22 -1.28 0.00 0.00 178.44 177.00 2wc3 h LYS 62 N 0.17 0.54 -0.03 0.12 3.64 -1.87 -0.28 116.57 118.86 2wc3 h LYS 62 Ca 0.59 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 59.70 2wc3 h LYS 62 Cb 1.23 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2wc3 h LYS 62 CO -0.70 0.66 -0.50 0.93 -2.27 0.00 0.00 179.45 177.57 2wc3 h GLU 63 N 0.34 0.06 -0.46 1.90 3.07 -1.80 0.65 114.58 118.35 2wc3 h GLU 63 Ca 0.09 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 58.81 2wc3 h GLU 63 Cb 0.40 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 2wc3 h GLU 63 CO 0.01 0.55 -0.14 -0.44 -1.40 0.00 0.00 179.01 177.59 2wc3 h ASP 64 N 0.05 0.87 -0.39 1.42 3.32 -1.10 -2.37 116.42 118.21 2wc3 h ASP 64 Ca -0.00 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 56.71 2wc3 h ASP 64 Cb 0.90 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 2wc3 h ASP 64 CO 0.07 1.01 0.06 0.40 -1.72 0.00 0.00 179.24 179.05 2wc3 h ILE 65 N 0.77 1.22 0.00 0.35 2.04 -0.32 -1.52 117.51 120.05 2wc3 h ILE 65 Ca 0.12 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 2wc3 h ILE 65 Cb 0.66 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2wc3 h ILE 65 CO 0.05 0.31 -0.07 -0.33 0.00 0.00 0.00 178.15 178.11 2wc3 h GLU 66 N 0.71 0.00 -0.36 2.37 5.08 -0.41 -1.09 114.58 120.87 2wc3 h GLU 66 Ca 0.15 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.36 2wc3 h GLU 66 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2wc3 h GLU 66 CO 0.01 0.07 -0.36 0.82 -1.00 0.00 0.00 179.01 178.55 2wc3 h ILE 67 N 0.00 1.28 -0.51 3.13 2.04 -0.79 0.21 117.51 122.87 2wc3 h ILE 67 Ca -0.00 -1.53 -0.01 0.00 1.00 0.00 0.00 64.86 64.32 2wc3 h ILE 67 Cb 0.17 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 2wc3 h ILE 67 CO 0.01 0.50 0.27 0.40 0.00 0.00 0.00 178.15 179.33 2wc3 h ILE 68 N 0.69 1.18 0.07 -0.67 2.04 -1.12 -0.41 117.51 119.29 2wc3 h ILE 68 Ca 0.06 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 2wc3 h ILE 68 Cb 0.92 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2wc3 h ILE 68 CO 0.08 0.19 -0.03 -0.08 0.00 0.00 0.00 178.15 178.31 2wc3 h GLU 69 N 0.67 -0.09 0.00 2.37 4.81 -1.10 0.27 114.58 121.51 2wc3 h GLU 69 Ca 0.18 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 2wc3 h GLU 69 Cb 0.06 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2wc3 h GLU 69 CO -0.03 -0.06 -0.23 -0.22 -0.73 0.00 0.00 179.01 177.75 2wc3 h LYS 70 N -0.10 0.00 0.00 1.92 3.64 -0.31 -1.42 116.57 120.30 2wc3 h LYS 70 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2wc3 h LYS 70 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2wc3 h LYS 70 CO 0.02 0.23 -0.14 1.28 -2.27 0.00 0.00 179.45 178.56 2wc3 n LEU 71 N -3.83 0.51 -0.31 5.20 4.77 -0.19 -4.93 117.00 118.22 2wc3 n LEU 71 Ca -0.02 0.45 -0.04 0.00 -0.03 0.00 0.00 56.01 56.37 2wc3 n LEU 71 Cb 0.32 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 2wc3 n LEU 71 CO 0.34 -0.08 -0.04 0.61 -1.33 0.00 0.00 177.39 176.90 2wc3 n GLY 72 N 1.39 0.63 3.74 -0.72 0.00 0.01 -4.44 105.19 105.80 2wc3 n GLY 72 Ca 0.06 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.15 3.46 -0.14 1.61 1.01 -0.73 -4.87 120.40 118.58 2wc3 s VAL 73 Ca 0.00 1.27 0.16 0.00 0.00 0.00 0.00 61.98 63.41 2wc3 s VAL 73 Cb 0.00 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 2wc3 s VAL 73 CO 0.00 0.22 1.06 0.11 0.00 0.00 0.00 175.10 176.49 2wc3 h LYS 74 N 4.92 0.00 -4.16 2.72 1.79 -1.76 -3.44 116.57 116.64 2wc3 h LYS 74 Ca -0.45 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 57.80 2wc3 h LYS 74 Cb 1.21 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.64 2wc3 h LYS 74 CO 0.73 0.35 -0.71 0.00 -1.08 0.00 0.00 179.45 178.73 2wc3 s ALA 75 N -2.96 0.27 -0.15 3.86 0.00 -0.58 -0.59 121.76 121.60 2wc3 s ALA 75 Ca -0.00 -0.58 -0.00 0.00 0.00 0.00 0.00 51.96 51.37 2wc3 s ALA 75 Cb 0.08 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.33 2wc3 s ALA 75 CO 0.79 -0.09 -0.07 -0.47 0.00 0.00 0.00 175.76 175.91 2wc3 s TYR 76 N -1.26 1.75 -0.27 0.00 5.04 0.05 -1.87 117.35 120.79 2wc3 s TYR 76 Ca -0.12 -1.05 -0.14 0.00 -2.44 0.00 0.00 57.07 53.33 2wc3 s TYR 76 Cb -0.09 -1.35 -0.04 0.00 0.35 0.00 0.00 41.96 40.83 2wc3 s TYR 76 CO -0.00 -0.61 0.31 0.50 -1.34 0.00 0.00 175.55 174.41 2wc3 s ARG 77 N 1.62 4.01 0.07 4.97 3.52 -0.40 0.00 118.95 132.74 2wc3 s ARG 77 Ca 0.02 -0.07 -0.02 0.00 -0.13 0.00 0.00 55.73 55.53 2wc3 s ARG 77 Cb -0.14 -3.65 -0.04 0.00 -1.56 0.00 0.00 34.95 29.56 2wc3 s ARG 77 CO -0.08 -0.22 0.02 -0.59 -0.81 0.00 0.00 175.30 173.61 2wc3 s PHE 78 N 1.90 0.55 0.24 5.12 -0.71 -0.76 -0.78 117.98 123.54 2wc3 s PHE 78 Ca 0.12 -1.05 0.09 0.00 -1.04 0.00 0.00 56.93 55.05 2wc3 s PHE 78 Cb -0.16 -0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 41.24 2wc3 s PHE 78 CO 0.10 -0.43 0.02 -1.54 -1.34 0.00 0.00 175.22 172.03 2wc3 s SER 79 N -2.94 4.71 -0.14 1.98 1.04 -1.24 -1.42 113.70 115.68 2wc3 s SER 79 Ca 0.10 -0.53 -0.03 0.00 0.48 0.00 0.00 55.95 55.97 2wc3 s SER 79 Cb 0.07 -0.95 -0.03 0.00 0.10 0.00 0.00 66.02 65.22 2wc3 s SER 79 CO -0.08 0.02 -0.04 -0.63 0.98 0.00 0.00 173.24 173.50 2wc3 s ILE 80 N -2.13 3.91 -0.37 -1.02 1.01 -1.04 -4.25 121.20 117.32 2wc3 s ILE 80 Ca 0.30 -0.36 -0.29 0.00 0.00 0.00 0.00 60.65 60.30 2wc3 s ILE 80 Cb -0.07 -2.69 0.01 0.00 0.01 0.00 0.00 42.46 39.72 2wc3 s ILE 80 CO 0.20 0.52 1.32 -0.55 0.00 0.00 0.00 174.94 176.43 2wc3 s SER 81 N 0.06 6.54 0.17 3.58 0.15 -1.26 -4.68 113.70 118.27 2wc3 s SER 81 Ca -0.00 0.97 -0.20 0.00 0.70 0.00 0.00 55.95 57.41 2wc3 s SER 81 Cb -0.13 -2.54 0.08 0.00 -1.71 0.00 0.00 66.02 61.72 2wc3 s SER 81 CO 0.03 -1.23 1.62 -0.25 1.20 0.00 0.00 173.24 174.61 2wc3 h TRP 82 N 9.79 -0.61 0.00 3.44 2.91 -1.85 -1.80 115.95 127.83 2wc3 h TRP 82 Ca -0.26 0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.81 2wc3 h TRP 82 Cb 1.09 0.32 0.00 0.00 -0.51 0.00 0.00 29.16 30.07 2wc3 h TRP 82 CO 0.93 -0.31 0.00 -0.35 -1.03 0.00 0.00 178.44 177.68 2wc3 n PRO 83 N -5.39 0.09 0.11 2.65 -0.04 -1.26 -0.28 135.00 130.88 2wc3 n PRO 83 Ca 0.02 0.18 -0.04 0.00 -0.04 0.00 0.00 63.50 63.62 2wc3 n PRO 83 Cb 0.30 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.40 2wc3 n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wc3 h ARG 84 N 0.00 0.13 0.00 0.54 3.08 -1.60 0.13 114.38 116.66 2wc3 h ARG 84 Ca 0.00 -0.09 -0.22 0.00 0.07 0.00 0.00 59.98 59.74 2wc3 h ARG 84 Cb 0.25 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 2wc3 h ARG 84 CO 0.00 0.71 -1.27 -0.89 -1.07 0.00 0.00 179.97 177.45 2wc3 n ILE 85 N -3.83 1.52 -3.93 2.04 2.08 -0.30 -4.07 119.36 112.86 2wc3 n ILE 85 Ca -0.02 -0.02 -0.32 0.00 0.56 0.00 0.00 62.75 62.95 2wc3 n ILE 85 Cb 0.62 -2.08 -0.14 0.00 -0.75 0.00 0.00 39.64 37.30 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 -7.89 4.72 0.43 1.39 1.43 0.62 -0.36 118.68 119.03 2wc3 s LEU 86 Ca -0.28 -2.52 0.12 0.00 -1.03 0.00 0.00 54.13 50.42 2wc3 s LEU 86 Cb 0.06 -1.68 0.95 0.00 0.03 0.00 0.00 46.19 45.55 2wc3 s LEU 86 CO 0.53 -0.35 2.00 -0.65 0.23 0.00 0.00 176.35 178.11 2wc3 h PRO 87 N 7.21 0.14 -0.40 1.29 0.11 -1.73 0.10 132.00 138.73 2wc3 h PRO 87 Ca -0.06 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2wc3 h PRO 87 Cb 0.97 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2wc3 h PRO 87 CO 0.62 0.24 0.00 0.39 -0.21 0.00 0.00 178.00 179.05 2wc3 n GLU 88 N -4.36 2.05 0.00 1.05 1.02 -1.26 -4.14 120.64 115.00 2wc3 n GLU 88 Ca -0.01 -1.61 0.00 0.00 -0.02 0.00 0.00 57.16 55.51 2wc3 n GLU 88 Cb 0.21 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 1.24 1.97 3.38 0.62 0.00 0.36 -4.59 105.19 108.17 2wc3 n GLY 89 Ca 0.16 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.13 0.30 0.00 2.61 -4.23 -1.26 -4.81 115.64 108.13 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 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.40 2wc3 s THR 90 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2wc3 n GLY 91 N -0.71 1.00 3.74 3.99 0.00 -1.26 -4.84 105.19 107.11 2wc3 n GLY 91 Ca 0.01 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 2wc3 n GLY 91 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wc3 s ARG 92 N 0.00 4.39 -0.05 1.61 3.52 -1.26 -5.00 118.95 122.16 2wc3 s ARG 92 Ca 0.00 2.05 -0.17 0.00 -0.13 0.00 0.00 55.73 57.47 2wc3 s ARG 92 Cb 0.00 -3.19 -0.05 0.00 -1.56 0.00 0.00 34.95 30.14 2wc3 s ARG 92 CO 0.00 -0.24 0.47 0.08 -0.81 0.00 0.00 175.30 174.80 2wc3 s VAL 93 N 0.08 5.07 -0.68 7.11 1.01 -1.26 -4.28 120.40 127.45 2wc3 s VAL 93 Ca 0.56 0.96 -0.22 0.00 0.00 0.00 0.00 61.98 63.28 2wc3 s VAL 93 Cb -0.36 -3.80 0.08 0.00 0.00 0.00 0.00 36.38 32.30 2wc3 s VAL 93 CO 0.38 0.44 0.97 0.21 0.00 0.00 0.00 175.10 177.10 2wc3 s ASN 94 N -0.15 6.22 0.26 3.32 2.47 0.51 -4.93 114.94 122.64 2wc3 s ASN 94 Ca 0.26 -1.11 -0.03 0.00 0.42 0.00 0.00 52.86 52.40 2wc3 s ASN 94 Cb -0.16 -2.41 0.52 0.00 -1.45 0.00 0.00 41.25 37.75 2wc3 s ASN 94 CO 0.12 -1.40 1.67 -0.61 -3.72 0.00 0.00 177.10 173.16 2wc3 h GLN 95 N 9.49 0.23 -0.19 0.43 5.75 -1.89 0.15 115.11 129.08 2wc3 h GLN 95 Ca -0.24 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.21 2wc3 h GLN 95 Cb 1.07 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.55 2wc3 h GLN 95 CO 1.18 0.15 -0.01 0.87 -2.65 0.00 0.00 178.83 178.37 2wc3 h LYS 96 N 0.23 0.27 -0.04 1.69 1.57 -1.91 0.28 116.57 118.66 2wc3 h LYS 96 Ca 0.45 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2wc3 h LYS 96 Cb 0.81 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 2wc3 h LYS 96 CO -0.57 0.31 0.02 0.78 -0.57 0.00 0.00 179.45 179.42 2wc3 h GLY 97 N 0.57 0.07 1.00 3.86 0.00 -0.88 -1.67 103.07 106.01 2wc3 h GLY 97 Ca 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.37 2wc3 h GLY 97 CO 0.01 0.04 0.66 1.41 0.00 0.00 0.00 176.54 178.65 2wc3 h LEU 98 N -0.11 1.14 -0.54 3.11 3.38 -0.42 -2.46 115.31 119.41 2wc3 h LEU 98 Ca 0.01 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2wc3 h LEU 98 Cb 0.18 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2wc3 h LEU 98 CO -0.00 0.82 0.25 0.44 0.09 0.00 0.00 178.44 180.04 2wc3 h ASP 99 N 1.35 0.72 -0.58 -0.43 3.32 -0.22 0.34 116.42 120.91 2wc3 h ASP 99 Ca 0.37 -0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.32 2wc3 h ASP 99 Cb -0.15 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.17 2wc3 h ASP 99 CO -0.08 0.66 0.32 0.15 -1.72 0.00 0.00 179.24 178.57 2wc3 h PHE 100 N 0.73 0.59 0.00 4.55 3.57 -0.82 -1.66 116.94 123.90 2wc3 h PHE 100 Ca 0.18 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.52 2wc3 h PHE 100 Cb 0.14 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 2wc3 h PHE 100 CO -0.00 0.30 -0.89 1.88 -2.23 0.00 0.00 178.31 177.38 2wc3 h TYR 101 N 0.62 0.00 -0.41 0.41 0.05 -1.41 -2.94 116.97 113.30 2wc3 h TYR 101 Ca 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.02 2wc3 h TYR 101 Cb 0.12 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 2wc3 h TYR 101 CO -0.08 0.89 0.22 -0.91 -1.05 0.00 0.00 178.16 177.22 2wc3 h ASN 102 N 0.00 0.51 -0.83 3.88 2.35 -0.56 -1.11 115.58 119.81 2wc3 h ASN 102 Ca -0.01 -0.09 0.10 0.00 -0.55 0.00 0.00 56.30 55.75 2wc3 h ASN 102 Cb 1.58 -0.13 -0.07 0.00 0.05 0.00 0.00 38.32 39.75 2wc3 h ASN 102 CO 0.12 0.46 0.48 0.03 -1.65 0.00 0.00 177.43 176.86 2wc3 h ARG 103 N 0.52 0.77 -0.13 0.81 3.08 -1.26 0.57 114.38 118.75 2wc3 h ARG 103 Ca 0.14 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 2wc3 h ARG 103 Cb 0.06 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 2wc3 h ARG 103 CO -0.02 0.51 -0.02 0.82 -1.07 0.00 0.00 179.97 180.18 2wc3 h ILE 104 N 0.79 1.28 -0.17 2.04 2.04 -1.31 -1.68 117.51 120.51 2wc3 h ILE 104 Ca 0.41 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 65.33 2wc3 h ILE 104 Cb 0.38 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 2wc3 h ILE 104 CO -0.25 0.27 0.10 0.40 0.00 0.00 0.00 178.15 178.67 2wc3 h ILE 105 N -0.06 1.03 -0.97 -0.67 2.04 -0.95 -1.25 117.51 116.68 2wc3 h ILE 105 Ca 0.03 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.85 2wc3 h ILE 105 Cb 0.43 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 2wc3 h ILE 105 CO 0.01 0.04 0.64 0.44 0.00 0.00 0.00 178.15 179.28 2wc3 h ASP 106 N 0.21 1.08 -0.27 1.72 3.32 -0.86 -2.04 116.42 119.58 2wc3 h ASP 106 Ca 0.06 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 2wc3 h ASP 106 Cb -0.01 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 2wc3 h ASP 106 CO -0.02 0.76 -0.10 0.74 -1.72 0.00 0.00 179.24 178.89 2wc3 h THR 107 N 1.27 1.29 -0.57 0.35 2.02 -1.04 0.16 112.91 116.39 2wc3 h THR 107 Ca 0.38 -1.16 0.06 0.00 0.77 0.00 0.00 66.41 66.45 2wc3 h THR 107 Cb -0.06 1.47 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 2wc3 h THR 107 CO -0.11 0.37 0.28 -0.07 0.37 0.00 0.00 175.52 176.36 2wc3 h LEU 108 N 0.30 0.39 -0.38 2.58 3.38 -1.04 -1.11 115.31 119.44 2wc3 h LEU 108 Ca 0.07 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2wc3 h LEU 108 Cb 0.60 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2wc3 h LEU 108 CO 0.03 0.26 0.17 -0.07 0.09 0.00 0.00 178.44 178.92 2wc3 h LEU 109 N 0.53 0.50 -1.82 1.67 4.07 -1.09 0.14 115.31 119.32 2wc3 h LEU 109 Ca 0.26 -0.14 0.18 0.00 0.08 0.00 0.00 57.88 58.26 2wc3 h LEU 109 Cb 0.20 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 41.77 2wc3 h LEU 109 CO -0.19 0.51 0.51 -0.33 -1.08 0.00 0.00 178.44 177.85 2wc3 h GLU 110 N 0.47 0.16 -0.41 1.13 5.08 0.16 -1.01 114.58 120.15 2wc3 h GLU 110 Ca 0.13 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2wc3 h GLU 110 Cb 0.15 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2wc3 h GLU 110 CO -0.01 0.11 0.00 1.63 -1.00 0.00 0.00 179.01 179.73 2wc3 n LYS 111 N -4.40 2.42 -1.29 2.33 5.02 -0.50 -4.94 118.16 116.80 2wc3 n LYS 111 Ca 0.14 -2.21 -0.06 0.00 -2.02 0.00 0.00 58.31 54.16 2wc3 n LYS 111 Cb 0.68 -1.45 -0.02 0.00 -0.02 0.00 0.00 35.03 34.22 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 1.26 0.77 3.74 0.72 0.00 0.10 -4.98 105.19 106.81 2wc3 n GLY 112 Ca 0.18 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 2wc3 n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wc3 s ILE 113 N -2.24 5.37 -0.25 -0.61 1.01 0.25 -4.93 121.20 119.80 2wc3 s ILE 113 Ca 0.00 0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.72 2wc3 s ILE 113 Cb 0.00 -3.54 0.01 0.00 0.01 0.00 0.00 42.46 38.94 2wc3 s ILE 113 CO 0.00 0.44 1.03 -0.89 0.00 0.00 0.00 174.94 175.52 2wc3 s THR 114 N 0.26 4.65 0.17 2.92 2.01 0.25 -3.99 115.64 121.91 2wc3 s THR 114 Ca 0.12 1.91 -0.27 0.00 0.31 0.00 0.00 61.69 63.77 2wc3 s THR 114 Cb -0.12 -4.32 -0.08 0.00 0.01 0.00 0.00 72.50 67.99 2wc3 s THR 114 CO 0.01 -0.24 0.82 -2.16 -0.69 0.00 0.00 174.62 172.36 2wc3 s PRO 115 N 3.28 4.64 -0.21 4.92 0.04 -1.26 -0.77 135.00 145.63 2wc3 s PRO 115 Ca 0.43 1.24 0.02 0.00 0.04 0.00 0.00 61.00 62.74 2wc3 s PRO 115 Cb -0.14 -3.28 0.04 0.00 0.04 0.00 0.00 34.50 31.15 2wc3 s PRO 115 CO 0.08 0.51 -0.16 -0.06 0.04 0.00 0.00 177.00 177.41 2wc3 s PHE 116 N -0.97 2.95 -0.24 0.56 0.40 0.10 -4.34 117.98 116.45 2wc3 s PHE 116 Ca 0.38 -1.90 -0.09 0.00 -0.60 0.00 0.00 56.93 54.72 2wc3 s PHE 116 Cb -0.24 -1.92 -0.04 0.00 0.51 0.00 0.00 43.02 41.33 2wc3 s PHE 116 CO 0.27 -0.83 0.12 0.08 0.70 0.00 0.00 175.22 175.56 2wc3 s VAL 117 N 1.22 4.92 -0.26 -0.44 1.01 -0.36 -1.83 120.40 124.66 2wc3 s VAL 117 Ca -0.00 0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.83 2wc3 s VAL 117 Cb -0.16 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 2wc3 s VAL 117 CO -0.10 0.35 0.51 -0.89 0.00 0.00 0.00 175.10 174.97 2wc3 s THR 118 N 1.18 5.07 0.12 3.92 2.01 -0.51 -0.72 115.64 126.71 2wc3 s THR 118 Ca 0.06 0.86 -0.10 0.00 0.31 0.00 0.00 61.69 62.81 2wc3 s THR 118 Cb -0.14 -3.83 -0.14 0.00 0.01 0.00 0.00 72.50 68.40 2wc3 s THR 118 CO 0.05 0.08 1.34 0.40 -0.69 0.00 0.00 174.62 175.80 2wc3 h ILE 119 N 5.40 1.30 -3.37 1.82 2.04 -0.97 -2.76 117.51 120.97 2wc3 h ILE 119 Ca -0.29 -2.00 -0.54 0.00 1.00 0.00 0.00 64.86 63.03 2wc3 h ILE 119 Cb 1.14 2.00 -0.39 0.00 -0.74 0.00 0.00 36.82 38.83 2wc3 h ILE 119 CO 0.71 0.63 -0.77 -0.47 0.00 0.00 0.00 178.15 178.25 2wc3 s TYR 120 N -3.73 1.43 -0.37 1.37 5.04 -0.80 -4.48 117.35 115.81 2wc3 s TYR 120 Ca -0.09 -1.08 0.11 0.00 -2.44 0.00 0.00 57.07 53.57 2wc3 s TYR 120 Cb 0.09 -1.19 0.45 0.00 0.35 0.00 0.00 41.96 41.66 2wc3 s TYR 120 CO 0.89 -0.64 1.07 1.58 -1.34 0.00 0.00 175.55 177.11 2wc3 n HIS 121 N 4.94 2.40 0.00 4.97 -0.00 -1.26 -0.83 115.22 125.43 2wc3 n HIS 121 Ca -0.10 -2.81 0.00 0.00 -0.00 0.00 0.00 57.72 54.81 2wc3 n HIS 121 Cb 0.47 -0.22 0.00 0.00 -0.00 0.00 0.00 29.99 30.23 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 -0.38 0.00 -2.30 1.57 8.01 -1.26 -4.81 117.44 118.26 2wc3 n TRP 122 Ca 0.27 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 56.03 2wc3 n TRP 122 Cb 0.76 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.07 2wc3 n TRP 122 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 2wc3 n ASP 123 N 0.00 5.01 -4.75 -0.99 5.75 -1.26 -4.68 116.55 115.63 2wc3 n ASP 123 Ca 0.00 -3.09 -0.41 0.00 -0.01 0.00 0.00 54.79 51.28 2wc3 n ASP 123 Cb 0.00 -1.49 -0.02 0.00 -1.03 0.00 0.00 41.12 38.58 2wc3 n ASP 123 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2wc3 s LEU 124 N 0.05 4.38 -0.01 -2.12 2.96 -1.26 -4.32 118.68 118.36 2wc3 s LEU 124 Ca 0.40 2.71 -0.35 0.00 -0.22 0.00 0.00 54.13 56.67 2wc3 s LEU 124 Cb 0.10 -3.63 -0.13 0.00 0.50 0.00 0.00 46.19 43.03 2wc3 s LEU 124 CO -0.00 -0.73 1.70 -2.65 -1.32 0.00 0.00 176.35 173.35 2wc3 n PRO 125 N 2.27 1.93 -0.32 0.98 -0.02 -1.26 0.29 135.00 138.87 2wc3 n PRO 125 Ca 0.07 0.70 0.29 0.00 -2.02 0.00 0.00 63.50 62.54 2wc3 n PRO 125 Cb 0.40 -2.48 0.63 0.00 -0.02 0.00 0.00 33.50 32.02 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 7.35 0.35 -0.23 6.00 3.57 -0.91 -0.91 116.94 132.16 2wc3 h PHE 126 Ca -0.47 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.03 2wc3 h PHE 126 Cb 1.28 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 2wc3 h PHE 126 CO 0.75 0.02 0.09 0.00 -2.23 0.00 0.00 178.31 176.94 2wc3 h ALA 127 N 1.53 1.73 -0.02 2.41 0.00 -1.84 -1.86 119.26 121.22 2wc3 h ALA 127 Ca 0.59 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 55.21 2wc3 h ALA 127 Cb 1.89 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2wc3 h ALA 127 CO -0.17 0.22 -0.91 -0.07 0.00 0.00 0.00 179.25 178.32 2wc3 h LEU 128 N 0.32 0.58 -1.44 0.00 3.38 -1.42 -3.25 115.31 113.48 2wc3 h LEU 128 Ca 0.08 -0.45 0.04 0.00 0.09 0.00 0.00 57.88 57.65 2wc3 h LEU 128 Cb 0.07 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2wc3 h LEU 128 CO -0.01 1.24 0.42 -0.61 0.09 0.00 0.00 178.44 179.57 2wc3 h GLN 129 N 0.27 0.69 0.00 1.13 5.75 -1.02 0.52 115.11 122.45 2wc3 h GLN 129 Ca -0.08 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.37 2wc3 h GLN 129 Cb 1.54 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 29.93 2wc3 h GLN 129 CO 0.16 0.46 -0.08 -0.07 -2.65 0.00 0.00 178.83 176.65 2wc3 h LEU 130 N 0.71 0.00 -3.53 -2.39 3.38 -1.44 -0.91 115.31 111.14 2wc3 h LEU 130 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2wc3 h LEU 130 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2wc3 h LEU 130 CO -0.07 0.08 0.00 0.29 0.09 0.00 0.00 178.44 178.82 2wc3 n LYS 131 N -3.50 4.73 0.00 1.13 4.01 -0.17 -4.91 118.16 119.46 2wc3 n LYS 131 Ca -0.02 -3.14 0.00 0.00 -0.51 0.00 0.00 58.31 54.64 2wc3 n LYS 131 Cb 0.21 -2.22 0.00 0.00 -0.51 0.00 0.00 35.03 32.50 2wc3 n LYS 131 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2wc3 n GLY 132 N 0.59 0.14 7.00 0.72 0.00 -0.35 -4.68 105.19 108.61 2wc3 n GLY 132 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.99 2.45 0.27 -0.02 0.00 -0.01 -1.56 105.19 104.34 2wc3 n GLY 133 Ca 0.00 -0.15 0.18 0.00 0.00 0.00 0.00 46.02 46.05 2wc3 n GLY 133 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2wc3 h TRP 134 N 0.00 0.00 0.00 1.61 4.06 -1.94 0.80 115.95 120.48 2wc3 h TRP 134 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2wc3 h TRP 134 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 2wc3 h TRP 134 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 2wc3 n ALA 135 N -1.98 1.79 -2.64 1.49 0.00 -0.60 -4.07 120.51 114.50 2wc3 n ALA 135 Ca -0.02 0.04 -0.38 0.00 0.00 0.00 0.00 53.44 53.08 2wc3 n ALA 135 Cb 0.09 -1.38 -0.11 0.00 0.00 0.00 0.00 19.45 18.05 2wc3 n ALA 135 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2wc3 s ASN 136 N -4.05 5.94 0.45 0.00 3.84 0.27 -4.87 114.94 116.51 2wc3 s ASN 136 Ca 0.06 -0.02 0.22 0.00 0.21 0.00 0.00 52.86 53.33 2wc3 s ASN 136 Cb 0.10 -2.10 1.21 0.00 -0.55 0.00 0.00 41.25 39.91 2wc3 s ASN 136 CO 0.41 -0.04 1.84 0.03 -2.79 0.00 0.00 177.10 176.55 2wc3 h ARG 137 N 8.31 0.28 0.00 0.43 3.08 -1.85 0.15 114.38 124.77 2wc3 h ARG 137 Ca -0.35 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.68 2wc3 h ARG 137 Cb 1.19 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2wc3 h ARG 137 CO 0.56 0.18 0.00 0.93 -1.07 0.00 0.00 179.97 180.57 2wc3 h GLU 138 N 0.29 0.00 0.00 0.04 5.08 -1.93 -2.50 114.58 115.56 2wc3 h GLU 138 Ca 0.50 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.86 2wc3 h GLU 138 Cb 1.45 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.70 2wc3 h GLU 138 CO -0.16 0.00 -0.00 0.97 -1.00 0.00 0.00 179.01 178.82 2wc3 h ILE 139 N 0.00 0.43 -0.60 3.13 2.10 -0.96 -0.61 117.51 121.00 2wc3 h ILE 139 Ca 0.00 -0.01 0.06 0.00 1.08 0.00 0.00 64.86 66.00 2wc3 h ILE 139 Cb 0.02 1.00 -0.06 0.00 -1.09 0.00 0.00 36.82 36.70 2wc3 h ILE 139 CO 0.00 0.00 0.30 0.00 -1.08 0.00 0.00 178.15 177.37 2wc3 h ALA 140 N 2.00 0.79 0.52 0.18 0.00 -1.66 -0.14 119.26 120.96 2wc3 h ALA 140 Ca -0.00 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2wc3 h ALA 140 Cb 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2wc3 h ALA 140 CO 0.00 -0.06 -0.25 -0.44 0.00 0.00 0.00 179.25 178.50 2wc3 h ASP 141 N 0.55 -0.60 -0.54 0.00 3.32 -1.36 -1.79 116.42 115.99 2wc3 h ASP 141 Ca 0.28 -0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.39 2wc3 h ASP 141 Cb 0.23 0.15 -0.08 0.00 0.22 0.00 0.00 39.33 39.86 2wc3 h ASP 141 CO -0.21 -0.33 0.12 -0.50 -1.72 0.00 0.00 179.24 176.60 2wc3 h TRP 142 N -0.84 0.18 -0.46 4.55 6.55 -1.28 -1.76 115.95 122.90 2wc3 h TRP 142 Ca -0.07 0.03 -0.06 0.00 0.95 0.00 0.00 58.89 59.75 2wc3 h TRP 142 Cb 0.60 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.88 2wc3 h TRP 142 CO -0.01 -0.01 0.07 0.35 -1.05 0.00 0.00 178.44 177.79 2wc3 h PHE 143 N 0.25 0.81 -0.64 0.49 3.57 -1.05 -0.87 116.94 119.51 2wc3 h PHE 143 Ca 0.28 -0.11 0.06 0.00 3.53 0.00 0.00 57.97 61.72 2wc3 h PHE 143 Cb 0.39 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 2wc3 h PHE 143 CO -0.23 0.76 0.34 0.00 -2.23 0.00 0.00 178.31 176.95 2wc3 h ALA 144 N 0.95 0.85 -0.39 2.41 0.00 -1.04 0.20 119.26 122.24 2wc3 h ALA 144 Ca 0.14 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2wc3 h ALA 144 Cb 0.39 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2wc3 h ALA 144 CO 0.01 0.00 0.13 1.49 0.00 0.00 0.00 179.25 180.88 2wc3 h GLU 145 N 0.63 0.60 -0.48 0.00 4.81 -1.12 -0.07 114.58 118.95 2wc3 h GLU 145 Ca 0.29 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2wc3 h GLU 145 Cb 0.19 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2wc3 h GLU 145 CO -0.19 0.60 0.24 -0.92 -0.73 0.00 0.00 179.01 178.01 2wc3 h TYR 146 N 0.48 0.68 -0.61 0.92 3.20 -0.90 -1.55 116.97 119.18 2wc3 h TYR 146 Ca 0.13 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.98 2wc3 h TYR 146 Cb 0.24 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 2wc3 h TYR 146 CO 0.01 0.52 0.39 0.77 -1.64 0.00 0.00 178.16 178.21 2wc3 h SER 147 N 0.63 0.67 -0.46 -2.11 0.02 -0.48 -2.38 113.55 109.43 2wc3 h SER 147 Ca 0.17 -0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.16 2wc3 h SER 147 Cb 0.09 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.42 2wc3 h SER 147 CO -0.02 0.48 0.19 -0.09 -1.14 0.00 0.00 176.83 176.25 2wc3 h ARG 148 N 0.79 0.37 -0.56 3.45 2.43 -0.69 0.31 114.38 120.49 2wc3 h ARG 148 Ca 0.23 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.44 2wc3 h ARG 148 Cb -0.06 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.35 2wc3 h ARG 148 CO -0.06 0.25 0.26 0.28 -1.51 0.00 0.00 179.97 179.18 2wc3 h VAL 149 N 0.38 0.89 -0.19 0.20 2.07 -0.99 -0.77 116.25 117.85 2wc3 h VAL 149 Ca 0.21 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 2wc3 h VAL 149 Cb 0.18 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2wc3 h VAL 149 CO -0.19 0.09 0.11 -0.07 0.02 0.00 0.00 177.57 177.53 2wc3 h LEU 150 N 0.48 0.23 -0.37 2.57 3.38 -0.87 -1.98 115.31 118.75 2wc3 h LEU 150 Ca 0.26 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2wc3 h LEU 150 Cb 0.22 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2wc3 h LEU 150 CO -0.21 0.23 0.24 -0.26 0.09 0.00 0.00 178.44 178.53 2wc3 h PHE 151 N 0.22 0.47 -0.48 1.13 0.04 -0.74 0.13 116.94 117.71 2wc3 h PHE 151 Ca 0.07 0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.79 2wc3 h PHE 151 Cb 0.04 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 2wc3 h PHE 151 CO -0.05 0.31 0.06 0.93 -0.60 0.00 0.00 178.31 178.97 2wc3 h GLU 152 N 0.50 0.76 0.09 1.51 5.08 -1.04 0.14 114.58 121.62 2wc3 h GLU 152 Ca 0.14 -0.18 -0.30 0.00 -1.00 0.00 0.00 59.36 58.02 2wc3 h GLU 152 Cb -0.04 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2wc3 h GLU 152 CO -0.03 0.73 -1.57 -0.91 -1.00 0.00 0.00 179.01 176.24 2wc3 h ASN 153 N 0.73 0.31 0.00 1.42 2.35 -1.12 -3.40 115.58 115.87 2wc3 h ASN 153 Ca 0.15 -0.46 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2wc3 h ASN 153 Cb 0.36 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2wc3 h ASN 153 CO 0.01 1.39 -0.72 0.49 -1.65 0.00 0.00 177.43 176.95 2wc3 n PHE 154 N -3.39 0.00 0.31 1.19 3.72 0.45 -4.70 117.46 115.04 2wc3 n PHE 154 Ca -0.17 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.42 2wc3 n PHE 154 Cb 1.04 -0.04 1.01 0.00 -0.94 0.00 0.00 39.48 40.55 2wc3 n PHE 154 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2wc3 h GLY 155 N 0.67 0.00 2.00 1.37 0.00 -0.77 -0.65 103.07 105.69 2wc3 h GLY 155 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2wc3 h GLY 155 CO 0.00 0.00 -0.11 1.29 0.00 0.00 0.00 176.54 177.72 2wc3 h ASP 156 N 0.00 0.00 0.00 0.19 2.03 -1.84 -3.34 116.42 113.45 2wc3 h ASP 156 Ca -0.00 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.22 2wc3 h ASP 156 Cb 0.12 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.61 2wc3 h ASP 156 CO 0.00 0.11 -1.30 0.54 -1.03 0.00 0.00 179.24 177.56 2wc3 n ARG 157 N -3.54 0.28 -3.20 4.15 1.74 -0.43 -4.97 116.66 110.70 2wc3 n ARG 157 Ca -0.02 0.03 -0.40 0.00 -0.77 0.00 0.00 57.85 56.70 2wc3 n ARG 157 Cb 0.24 -1.11 -0.06 0.00 -1.02 0.00 0.00 32.46 30.51 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 -2.11 5.07 -0.55 1.55 1.01 -0.39 -4.95 120.40 120.04 2wc3 s VAL 158 Ca -0.07 1.03 0.05 0.00 0.00 0.00 0.00 61.98 62.99 2wc3 s VAL 158 Cb 0.02 -3.88 0.08 0.00 0.00 0.00 0.00 36.38 32.61 2wc3 s VAL 158 CO 0.13 0.14 0.86 0.29 0.00 0.00 0.00 175.10 176.52 2wc3 n LYS 159 N 4.96 1.12 -3.92 2.72 4.76 -1.26 -4.43 118.16 122.10 2wc3 n LYS 159 Ca -0.03 -1.22 -0.29 0.00 -2.87 0.00 0.00 58.31 53.89 2wc3 n LYS 159 Cb 0.50 -1.11 -0.16 0.00 -1.84 0.00 0.00 35.03 32.42 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 -0.68 3.29 0.06 4.39 0.01 -1.26 0.65 114.94 121.40 2wc3 s ASN 160 Ca 0.08 -0.89 0.04 0.00 -0.71 0.00 0.00 52.86 51.39 2wc3 s ASN 160 Cb 0.05 -1.06 -0.03 0.00 0.41 0.00 0.00 41.25 40.62 2wc3 s ASN 160 CO 0.07 -0.20 -0.12 0.26 -1.51 0.00 0.00 177.10 175.60 2wc3 s TRP 161 N 1.51 1.05 -0.06 2.20 0.52 -0.44 -1.22 118.94 122.49 2wc3 s TRP 161 Ca -0.02 -0.45 0.01 0.00 0.02 0.00 0.00 56.10 55.66 2wc3 s TRP 161 Cb -0.17 -0.60 0.02 0.00 -1.15 0.00 0.00 33.47 31.57 2wc3 s TRP 161 CO -0.07 0.01 -0.07 0.42 0.02 0.00 0.00 176.95 177.26 2wc3 s ILE 162 N -1.22 0.77 -0.05 2.03 1.01 0.10 -1.58 121.20 122.27 2wc3 s ILE 162 Ca -0.04 -0.23 -0.15 0.00 0.00 0.00 0.00 60.65 60.23 2wc3 s ILE 162 Cb -0.10 -0.77 -0.10 0.00 0.01 0.00 0.00 42.46 41.50 2wc3 s ILE 162 CO 0.02 0.29 0.63 0.71 0.00 0.00 0.00 174.94 176.58 2wc3 h THR 163 N 6.11 0.28 -3.88 2.92 1.35 -1.50 0.48 112.91 118.67 2wc3 h THR 163 Ca -0.33 -0.83 -0.58 0.00 -0.55 0.00 0.00 66.41 64.12 2wc3 h THR 163 Cb 1.16 0.48 -0.31 0.00 -1.73 0.00 0.00 68.15 67.74 2wc3 h THR 163 CO 0.44 0.07 -0.84 -0.76 -0.25 0.00 0.00 175.52 174.18 2wc3 s LEU 164 N -9.00 1.93 -0.28 3.87 1.43 -1.26 -1.90 118.68 113.46 2wc3 s LEU 164 Ca -0.09 -0.37 -0.20 0.00 -1.03 0.00 0.00 54.13 52.44 2wc3 s LEU 164 Cb 0.01 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.19 2wc3 s LEU 164 CO 0.29 0.16 0.60 0.21 0.23 0.00 0.00 176.35 177.84 2wc3 s ASN 165 N 0.05 6.50 -1.06 2.29 2.47 -0.01 -2.29 114.94 122.88 2wc3 s ASN 165 Ca -0.05 0.50 -0.16 0.00 0.42 0.00 0.00 52.86 53.58 2wc3 s ASN 165 Cb -0.12 -2.32 -0.01 0.00 -1.45 0.00 0.00 41.25 37.35 2wc3 s ASN 165 CO 0.03 -0.41 0.78 -0.62 -3.72 0.00 0.00 177.10 173.15 2wc3 n GLU 166 N 5.76 -1.32 0.07 0.43 1.02 0.11 -4.74 120.64 121.98 2wc3 n GLU 166 Ca -0.02 0.63 0.15 0.00 -0.02 0.00 0.00 57.16 57.90 2wc3 n GLU 166 Cb 0.49 -4.22 0.65 0.00 -0.02 0.00 0.00 31.44 28.34 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 -1.42 0.05 -0.62 3.49 0.13 -1.84 0.30 132.00 132.10 2wc3 h PRO 167 Ca -0.59 -0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.57 2wc3 h PRO 167 Cb 1.32 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 2wc3 h PRO 167 CO 0.45 0.03 0.37 2.35 -0.23 0.00 0.00 178.00 180.97 2wc3 h TRP 168 N 0.05 0.69 0.31 1.56 7.01 -1.92 -0.03 115.95 123.62 2wc3 h TRP 168 Ca 0.17 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.18 2wc3 h TRP 168 Cb 0.62 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.46 2wc3 h TRP 168 CO -0.00 0.38 -0.15 0.28 -2.79 0.00 0.00 178.44 176.16 2wc3 h VAL 169 N 0.72 0.72 -0.85 2.65 2.07 -0.76 0.22 116.25 121.02 2wc3 h VAL 169 Ca 0.25 -0.39 0.15 0.00 0.82 0.00 0.00 66.70 67.53 2wc3 h VAL 169 Cb 0.05 0.93 -0.15 0.00 -1.52 0.00 0.00 31.29 30.60 2wc3 h VAL 169 CO -0.12 0.08 -0.33 0.58 0.02 0.00 0.00 177.57 177.80 2wc3 h VAL 170 N -0.63 0.08 0.25 2.57 2.07 -1.26 0.99 116.25 120.33 2wc3 h VAL 170 Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2wc3 h VAL 170 Cb 0.45 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2wc3 h VAL 170 CO 0.07 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 177.54 2wc3 h ALA 171 N 1.40 -0.34 0.07 1.67 0.00 -0.86 -2.81 119.26 118.40 2wc3 h ALA 171 Ca 0.34 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2wc3 h ALA 171 Cb 0.60 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.53 2wc3 h ALA 171 CO -0.88 -0.38 -0.47 0.82 0.00 0.00 0.00 179.25 178.34 2wc3 h ILE 172 N -0.97 1.62 -0.18 0.00 1.08 -0.88 -0.24 117.51 117.96 2wc3 h ILE 172 Ca -0.03 -2.44 -0.19 0.00 -0.39 0.00 0.00 64.86 61.80 2wc3 h ILE 172 Cb 0.47 3.26 0.00 0.00 -3.07 0.00 0.00 36.82 37.49 2wc3 h ILE 172 CO 0.06 0.66 -0.66 0.58 -0.69 0.00 0.00 178.15 178.10 2wc3 h VAL 173 N -0.67 1.31 -0.11 1.67 2.07 -0.92 0.09 116.25 119.69 2wc3 h VAL 173 Ca -0.09 -1.91 -0.17 0.00 0.82 0.00 0.00 66.70 65.35 2wc3 h VAL 173 Cb 1.35 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 2wc3 h VAL 173 CO 0.07 0.60 -0.65 1.23 0.02 0.00 0.00 177.57 178.84 2wc3 h GLY 174 N 0.87 0.46 0.00 2.17 0.00 -1.18 -0.88 103.07 104.50 2wc3 h GLY 174 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.71 2wc3 h GLY 174 CO 0.13 0.53 -0.68 1.42 0.00 0.00 0.00 176.54 177.95 2wc3 n HIS 175 N -3.88 0.00 -0.08 5.60 8.25 -0.10 -1.36 115.22 123.64 2wc3 n HIS 175 Ca -0.04 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.26 2wc3 n HIS 175 Cb 0.66 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.71 2wc3 n HIS 175 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2wc3 n LEU 176 N -1.34 1.44 0.09 2.41 7.94 -0.37 -0.84 117.00 126.32 2wc3 n LEU 176 Ca -0.00 0.16 0.04 0.00 -1.11 0.00 0.00 56.01 55.10 2wc3 n LEU 176 Cb 0.00 -0.50 -0.02 0.00 0.53 0.00 0.00 43.42 43.44 2wc3 n LEU 176 CO 0.00 0.41 0.05 1.88 -1.11 0.00 0.00 177.39 178.62 2wc3 h TYR 177 N -0.50 0.00 -0.17 1.96 0.05 -1.16 -3.39 116.97 113.76 2wc3 h TYR 177 Ca -0.41 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.30 2wc3 h TYR 177 Cb 1.39 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.10 2wc3 h TYR 177 CO -0.04 0.38 -0.07 0.41 -1.05 0.00 0.00 178.16 177.79 2wc3 n GLY 178 N 1.28 0.63 0.11 3.88 0.00 -0.42 -4.86 105.19 105.81 2wc3 n GLY 178 Ca -0.03 -0.31 0.01 0.00 0.00 0.00 0.00 46.02 45.68 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 0.78 -2.12 1.61 2.07 -1.61 -3.41 116.25 113.58 2wc3 h VAL 179 Ca -0.07 -2.22 -0.55 0.00 0.82 0.00 0.00 66.70 64.67 2wc3 h VAL 179 Cb 0.44 2.30 -0.09 0.00 -1.52 0.00 0.00 31.29 32.42 2wc3 h VAL 179 CO 0.11 0.44 -0.61 -1.00 0.02 0.00 0.00 177.57 176.53 2wc3 s HIS 180 N -2.93 2.71 0.52 1.57 3.76 -1.06 -4.71 115.29 115.15 2wc3 s HIS 180 Ca 0.01 -0.26 -0.21 0.00 -0.15 0.00 0.00 55.06 54.45 2wc3 s HIS 180 Cb 0.08 -1.32 -0.08 0.00 1.11 0.00 0.00 32.58 32.37 2wc3 s HIS 180 CO 0.78 0.55 0.86 0.00 -0.85 0.00 0.00 174.74 176.07 2wc3 n ALA 181 N -0.97 -0.21 0.95 -1.40 0.00 -1.26 -0.46 120.51 117.16 2wc3 n ALA 181 Ca -0.06 0.09 0.03 0.00 0.00 0.00 0.00 53.44 53.50 2wc3 n ALA 181 Cb 0.60 -2.02 0.11 0.00 0.00 0.00 0.00 19.45 18.14 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 -0.29 1.80 -1.96 0.00 -0.04 -1.25 -4.42 135.00 128.84 2wc3 n PRO 182 Ca 0.12 -0.91 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 2wc3 n PRO 182 Cb 0.44 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.65 0.88 3.83 0.55 0.00 0.39 -5.01 105.19 106.47 2wc3 n GLY 183 Ca 0.08 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.97 3.04 -0.46 1.61 0.00 -0.46 -4.79 119.30 114.26 2wc3 s MET 184 Ca 0.00 -0.73 0.03 0.00 0.00 0.00 0.00 55.69 54.98 2wc3 s MET 184 Cb 0.00 -2.76 0.15 0.00 0.00 0.00 0.00 34.83 32.22 2wc3 s MET 184 CO 0.00 0.52 0.30 1.03 0.00 0.00 0.00 175.02 176.87 2wc3 s ARG 185 N -2.88 1.26 -0.24 4.11 0.52 -1.20 -1.63 118.95 118.90 2wc3 s ARG 185 Ca 0.31 -2.14 -0.03 0.00 -0.52 0.00 0.00 55.73 53.36 2wc3 s ARG 185 Cb -0.11 -2.12 0.13 0.00 0.52 0.00 0.00 34.95 33.37 2wc3 s ARG 185 CO 0.24 -1.25 0.37 0.34 0.02 0.00 0.00 175.30 175.03 2wc3 s ASP 186 N 0.11 0.28 0.42 0.23 -1.08 -0.02 -4.94 116.67 111.66 2wc3 s ASP 186 Ca 0.23 0.24 0.16 0.00 -0.52 0.00 0.00 52.55 52.66 2wc3 s ASP 186 Cb -0.14 1.08 0.93 0.00 -1.46 0.00 0.00 42.92 43.34 2wc3 s ASP 186 CO -0.07 -0.30 1.92 -0.29 0.52 0.00 0.00 175.17 176.95 2wc3 h ILE 187 N 6.19 1.09 -0.06 4.11 2.10 -1.91 -0.77 117.51 128.27 2wc3 h ILE 187 Ca -0.19 -0.93 -0.17 0.00 1.08 0.00 0.00 64.86 64.64 2wc3 h ILE 187 Cb 1.15 1.52 -0.01 0.00 -1.09 0.00 0.00 36.82 38.39 2wc3 h ILE 187 CO 0.26 0.26 -0.71 1.88 -1.08 0.00 0.00 178.15 178.77 2wc3 h TYR 188 N 0.00 0.39 -0.12 2.19 -1.99 -1.94 -2.60 116.97 112.90 2wc3 h TYR 188 Ca -0.00 -0.17 -0.03 0.00 2.00 0.00 0.00 58.73 60.53 2wc3 h TYR 188 Cb 0.50 -0.06 -0.00 0.00 2.00 0.00 0.00 36.73 39.16 2wc3 h TYR 188 CO 0.00 0.90 -0.04 0.28 -0.00 0.00 0.00 178.16 179.30 2wc3 h VAL 189 N 0.20 1.30 -0.71 -2.88 2.07 -1.64 -2.30 116.25 112.27 2wc3 h VAL 189 Ca -0.02 -1.00 0.15 0.00 0.82 0.00 0.00 66.70 66.65 2wc3 h VAL 189 Cb 1.26 1.71 -0.13 0.00 -1.52 0.00 0.00 31.29 32.62 2wc3 h VAL 189 CO 0.11 0.29 -0.06 0.00 0.02 0.00 0.00 177.57 177.93 2wc3 h ALA 190 N 0.68 0.64 0.00 1.67 0.00 -1.15 0.34 119.26 121.44 2wc3 h ALA 190 Ca 0.03 0.25 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 2wc3 h ALA 190 Cb 0.46 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2wc3 h ALA 190 CO 0.01 -0.42 -0.70 0.74 0.00 0.00 0.00 179.25 178.89 2wc3 h PHE 191 N 0.06 0.00 -0.23 0.00 0.04 -1.42 -0.19 116.94 115.20 2wc3 h PHE 191 Ca 0.37 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 61.06 2wc3 h PHE 191 Cb 0.62 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 2wc3 h PHE 191 CO -0.47 0.70 -0.19 0.00 -0.60 0.00 0.00 178.31 177.75 2wc3 h ARG 192 N 0.00 0.41 -0.31 1.51 3.08 -0.74 -1.93 114.38 116.40 2wc3 h ARG 192 Ca -0.01 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 2wc3 h ARG 192 Cb 1.35 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 2wc3 h ARG 192 CO 0.09 0.59 0.03 0.00 -1.07 0.00 0.00 179.97 179.61 2wc3 h ALA 193 N 1.43 0.42 -0.42 0.04 0.00 0.22 0.16 119.26 121.11 2wc3 h ALA 193 Ca 0.06 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.84 2wc3 h ALA 193 Cb 0.55 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 2wc3 h ALA 193 CO 0.04 0.14 -0.08 0.28 0.00 0.00 0.00 179.25 179.63 2wc3 h VAL 194 N 0.34 0.61 -0.51 0.00 2.07 -0.86 0.23 116.25 118.13 2wc3 h VAL 194 Ca 0.09 -0.01 -0.12 0.00 0.82 0.00 0.00 66.70 67.48 2wc3 h VAL 194 Cb 0.39 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2wc3 h VAL 194 CO 0.01 0.00 -0.16 -0.74 0.02 0.00 0.00 177.57 176.70 2wc3 h HIS 195 N 0.02 1.14 0.00 1.57 6.17 -0.97 -2.78 115.15 120.30 2wc3 h HIS 195 Ca 0.20 -0.25 -0.12 0.00 0.71 0.00 0.00 60.37 60.91 2wc3 h HIS 195 Cb 0.30 -0.27 -0.02 0.00 2.52 0.00 0.00 27.41 29.94 2wc3 h HIS 195 CO -0.35 1.08 -0.56 -0.91 0.71 0.00 0.00 177.93 177.90 2wc3 h ASN 196 N 0.88 0.00 -0.54 3.26 2.35 -0.32 -1.64 115.58 119.57 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 0.73 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.08 2wc3 h ASN 196 CO 0.06 0.56 0.35 -0.07 -1.65 0.00 0.00 177.43 176.67 2wc3 h LEU 197 N 0.00 0.63 -0.25 1.61 3.38 -0.76 0.23 115.31 120.15 2wc3 h LEU 197 Ca -0.01 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2wc3 h LEU 197 Cb 1.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2wc3 h LEU 197 CO 0.07 0.48 -0.06 -0.07 0.09 0.00 0.00 178.44 178.95 2wc3 h LEU 198 N 0.73 0.48 -1.18 1.67 3.38 -1.22 0.56 115.31 119.73 2wc3 h LEU 198 Ca 0.20 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2wc3 h LEU 198 Cb -0.06 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 2wc3 h LEU 198 CO -0.04 0.73 0.47 0.03 0.09 0.00 0.00 178.44 179.72 2wc3 h ARG 199 N 0.22 1.03 -0.14 1.13 3.08 -0.96 -1.53 114.38 117.21 2wc3 h ARG 199 Ca 0.06 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 2wc3 h ARG 199 Cb 0.52 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 2wc3 h ARG 199 CO 0.02 0.71 -0.17 0.00 -1.07 0.00 0.00 179.97 179.47 2wc3 h ALA 200 N 1.47 0.21 -0.32 0.04 0.00 -0.21 -1.85 119.26 118.61 2wc3 h ALA 200 Ca 0.28 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.92 2wc3 h ALA 200 Cb -0.06 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.61 2wc3 h ALA 200 CO -0.05 0.11 -0.19 1.25 0.00 0.00 0.00 179.25 180.37 2wc3 h HIS 201 N -0.02 -0.49 -0.92 0.00 -0.00 -0.72 -1.71 115.15 111.29 2wc3 h HIS 201 Ca 0.02 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.43 2wc3 h HIS 201 Cb 0.71 0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 28.34 2wc3 h HIS 201 CO 0.09 -0.27 0.56 0.00 -0.00 0.00 0.00 177.93 178.31 2wc3 h ALA 202 N 1.03 1.17 -0.87 5.26 0.00 -1.19 -1.52 119.26 123.15 2wc3 h ALA 202 Ca 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2wc3 h ALA 202 Cb 0.41 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2wc3 h ALA 202 CO -0.41 0.62 0.43 0.00 0.00 0.00 0.00 179.25 179.88 2wc3 h ARG 203 N 1.26 1.24 -0.34 0.00 2.47 -0.88 -1.14 114.38 116.99 2wc3 h ARG 203 Ca 0.33 -0.17 -0.13 0.00 -1.26 0.00 0.00 59.98 58.75 2wc3 h ARG 203 Cb -0.07 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.02 2wc3 h ARG 203 CO -0.06 0.94 -0.31 0.00 0.56 0.00 0.00 179.97 181.09 2wc3 h ALA 204 N 1.23 0.82 -0.45 0.04 0.00 -0.80 -1.56 119.26 118.55 2wc3 h ALA 204 Ca 0.30 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2wc3 h ALA 204 Cb 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2wc3 h ALA 204 CO -0.04 0.64 0.18 0.28 0.00 0.00 0.00 179.25 180.32 2wc3 h VAL 205 N 0.62 1.20 -0.54 0.00 2.07 -1.05 -0.77 116.25 117.78 2wc3 h VAL 205 Ca 0.07 -0.62 0.07 0.00 0.82 0.00 0.00 66.70 67.04 2wc3 h VAL 205 Cb 0.83 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.32 2wc3 h VAL 205 CO 0.07 0.23 0.23 0.50 0.02 0.00 0.00 177.57 178.63 2wc3 h LYS 206 N 0.59 0.43 0.00 1.57 3.64 -1.04 -1.79 116.57 119.97 2wc3 h LYS 206 Ca 0.15 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 2wc3 h LYS 206 Cb 0.18 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2wc3 h LYS 206 CO -0.01 0.29 -0.46 -0.39 -2.27 0.00 0.00 179.45 176.60 2wc3 h VAL 207 N 0.44 1.07 -0.63 2.00 -1.51 -1.06 -2.94 116.25 113.63 2wc3 h VAL 207 Ca 0.26 -1.75 -0.07 0.00 -1.23 0.00 0.00 66.70 63.91 2wc3 h VAL 207 Cb 0.24 2.02 -0.03 0.00 -2.13 0.00 0.00 31.29 31.39 2wc3 h VAL 207 CO -0.22 0.45 0.12 0.15 -1.23 0.00 0.00 177.57 176.84 2wc3 h PHE 208 N 0.00 1.07 -0.03 5.19 3.57 -0.32 -1.44 116.94 124.97 2wc3 h PHE 208 Ca -0.00 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.36 2wc3 h PHE 208 Cb 0.98 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 2wc3 h PHE 208 CO 0.00 0.89 0.01 0.00 -2.23 0.00 0.00 178.31 176.99 2wc3 h ARG 209 N 0.96 0.04 0.00 1.11 2.47 -1.20 -0.72 114.38 117.04 2wc3 h ARG 209 Ca 0.20 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 2wc3 h ARG 209 Cb 0.39 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 2wc3 h ARG 209 CO 0.01 0.03 -0.47 0.93 0.56 0.00 0.00 179.97 181.03 2wc3 h GLU 210 N 0.04 0.00 0.00 0.04 5.08 -1.29 -3.41 114.58 115.04 2wc3 h GLU 210 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2wc3 h GLU 210 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2wc3 h GLU 210 CO -0.00 0.00 -0.82 0.25 -1.00 0.00 0.00 179.01 177.44 2wc3 n THR 211 N -2.59 0.00 -3.57 1.13 -2.24 -0.76 -4.97 114.28 101.27 2wc3 n THR 211 Ca 0.03 -0.05 -0.29 0.00 -2.27 0.00 0.00 64.05 61.47 2wc3 n THR 211 Cb 0.50 0.51 -0.15 0.00 -2.10 0.00 0.00 70.33 69.09 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 -1.73 0.10 -0.95 2.28 1.01 -0.33 -4.83 120.40 115.95 2wc3 s VAL 212 Ca 0.00 -0.88 0.22 0.00 0.00 0.00 0.00 61.98 61.32 2wc3 s VAL 212 Cb 0.00 -1.10 -0.19 0.00 0.00 0.00 0.00 36.38 35.08 2wc3 s VAL 212 CO 0.00 -0.72 0.97 0.29 0.00 0.00 0.00 175.10 175.63 2wc3 n LYS 213 N 5.17 0.04 -2.01 2.72 4.01 -1.26 -4.00 118.16 122.83 2wc3 n LYS 213 Ca -0.05 -0.01 -0.26 0.00 -0.51 0.00 0.00 58.31 57.48 2wc3 n LYS 213 Cb 0.42 -1.50 0.02 0.00 -0.51 0.00 0.00 35.03 33.46 2wc3 n LYS 213 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2wc3 n ASP 214 N -1.55 5.25 -4.29 4.39 9.92 -1.26 -5.04 116.55 123.96 2wc3 n ASP 214 Ca 0.04 -3.75 -0.19 0.00 -0.53 0.00 0.00 54.79 50.36 2wc3 n ASP 214 Cb 0.34 -0.44 -0.11 0.00 -0.64 0.00 0.00 41.12 40.28 2wc3 n ASP 214 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2wc3 s GLY 215 N -3.35 1.25 -0.07 0.44 0.00 -1.26 -4.90 107.32 99.44 2wc3 s GLY 215 Ca 0.52 -1.47 0.05 0.00 0.00 0.00 0.00 44.72 43.82 2wc3 s GLY 215 CO -0.01 -1.54 -0.23 0.54 0.00 0.00 0.00 173.10 171.86 2wc3 s LYS 216 N -3.10 2.68 0.07 2.90 1.02 0.21 -5.02 119.74 118.50 2wc3 s LYS 216 Ca 0.15 -0.87 0.06 0.00 0.02 0.00 0.00 55.97 55.34 2wc3 s LYS 216 Cb -0.03 -2.24 -0.03 0.00 -0.52 0.00 0.00 37.83 35.01 2wc3 s LYS 216 CO 0.05 0.36 -0.18 -1.50 -0.92 0.00 0.00 175.35 173.16 2wc3 s ILE 217 N -0.10 1.42 0.00 2.17 2.07 -1.26 -1.33 121.20 124.17 2wc3 s ILE 217 Ca -0.05 -1.27 0.00 0.00 -1.41 0.00 0.00 60.65 57.92 2wc3 s ILE 217 Cb -0.14 -1.29 0.00 0.00 0.13 0.00 0.00 42.46 41.16 2wc3 s ILE 217 CO 0.04 -0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.67 2wc3 n GLY 218 N 1.52 2.90 3.37 1.50 0.00 -0.61 -0.45 105.19 113.42 2wc3 n GLY 218 Ca -0.19 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 2wc3 n GLY 218 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2wc3 s ILE 219 N -2.74 0.04 -0.04 -0.61 2.07 -1.23 -1.34 121.20 117.35 2wc3 s ILE 219 Ca 0.00 -0.31 0.04 0.00 -1.41 0.00 0.00 60.65 58.97 2wc3 s ILE 219 Cb 0.00 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.59 2wc3 s ILE 219 CO 0.00 -0.17 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.01 2wc3 s VAL 220 N -2.74 1.34 -0.00 4.00 1.01 -0.97 -0.18 120.40 122.85 2wc3 s VAL 220 Ca -0.04 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.34 2wc3 s VAL 220 Cb -0.00 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 2wc3 s VAL 220 CO -0.04 0.39 -0.17 -0.36 0.00 0.00 0.00 175.10 174.91 2wc3 s PHE 221 N 0.07 1.55 0.70 5.22 0.08 -0.29 -0.72 117.98 124.60 2wc3 s PHE 221 Ca -0.04 -0.30 -0.12 0.00 0.12 0.00 0.00 56.93 56.58 2wc3 s PHE 221 Cb -0.11 -0.99 0.01 0.00 -0.57 0.00 0.00 43.02 41.37 2wc3 s PHE 221 CO 0.02 -0.01 1.08 0.54 -0.10 0.00 0.00 175.22 176.75 2wc3 s ASN 222 N -0.54 5.12 -0.14 1.36 4.22 -1.26 -0.60 114.94 123.10 2wc3 s ASN 222 Ca 0.06 1.78 -0.16 0.00 -2.14 0.00 0.00 52.86 52.41 2wc3 s ASN 222 Cb -0.07 -2.52 0.04 0.00 1.28 0.00 0.00 41.25 39.98 2wc3 s ASN 222 CO -0.00 -1.62 0.43 0.20 -2.04 0.00 0.00 177.10 174.07 2wc3 s ASN 223 N -3.28 -0.43 0.13 3.54 0.01 -1.06 -3.96 114.94 109.89 2wc3 s ASN 223 Ca 0.62 0.77 0.09 0.00 -0.71 0.00 0.00 52.86 53.63 2wc3 s ASN 223 Cb -0.16 0.80 -0.04 0.00 0.41 0.00 0.00 41.25 42.26 2wc3 s ASN 223 CO 0.50 -0.21 -0.19 -0.83 -1.51 0.00 0.00 177.10 174.86 2wc3 s GLY 224 N -0.03 1.69 -0.63 0.66 0.00 -1.26 -4.29 107.32 103.46 2wc3 s GLY 224 Ca -0.02 -1.40 -0.22 0.00 0.00 0.00 0.00 44.72 43.08 2wc3 s GLY 224 CO 0.01 -1.39 0.90 -0.47 0.00 0.00 0.00 173.10 172.16 2wc3 s TYR 225 N -1.23 2.76 -0.13 1.90 5.04 -0.80 -4.96 117.35 119.92 2wc3 s TYR 225 Ca 0.18 -0.54 -0.18 0.00 -2.44 0.00 0.00 57.07 54.10 2wc3 s TYR 225 Cb -0.10 -4.17 -0.04 0.00 0.35 0.00 0.00 41.96 38.00 2wc3 s TYR 225 CO 0.10 -1.52 0.47 -0.06 -1.34 0.00 0.00 175.55 173.20 2wc3 s PHE 226 N 3.76 3.49 0.15 4.97 0.08 -1.26 -0.59 117.98 128.58 2wc3 s PHE 226 Ca 0.21 0.85 0.08 0.00 0.12 0.00 0.00 56.93 58.19 2wc3 s PHE 226 Cb -0.18 -2.55 -0.04 0.00 -0.57 0.00 0.00 43.02 39.69 2wc3 s PHE 226 CO 0.11 0.14 -0.18 -1.21 -0.10 0.00 0.00 175.22 173.97 2wc3 s GLU 227 N 0.74 1.23 0.10 0.44 2.02 0.06 -4.96 118.70 118.34 2wc3 s GLU 227 Ca 0.25 -1.35 -0.26 0.00 0.02 0.00 0.00 54.97 53.62 2wc3 s GLU 227 Cb -0.15 -1.31 -0.06 0.00 0.10 0.00 0.00 34.13 32.70 2wc3 s GLU 227 CO 0.10 0.27 0.82 -1.25 0.02 0.00 0.00 175.26 175.22 2wc3 s PRO 228 N -2.63 4.58 0.45 0.39 0.04 -1.26 -0.93 135.00 135.64 2wc3 s PRO 228 Ca 0.14 1.20 0.14 0.00 0.04 0.00 0.00 61.00 62.51 2wc3 s PRO 228 Cb -0.06 -3.33 1.07 0.00 0.04 0.00 0.00 34.50 32.21 2wc3 s PRO 228 CO 0.06 0.36 2.02 0.00 0.04 0.00 0.00 177.00 179.49 2wc3 h ALA 229 N 5.18 2.00 -3.88 8.56 0.00 -1.19 -3.45 119.26 126.48 2wc3 h ALA 229 Ca -0.45 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.20 2wc3 h ALA 229 Cb 1.21 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 2wc3 h ALA 229 CO 0.70 -0.09 -0.12 -1.13 0.00 0.00 0.00 179.25 178.60 2wc3 n SER 230 N -4.47 -1.27 -0.25 0.00 3.41 -1.26 -5.03 113.62 104.75 2wc3 n SER 230 Ca 0.06 -2.72 0.13 0.00 -0.26 0.00 0.00 58.87 56.08 2wc3 n SER 230 Cb 0.29 2.36 0.63 0.00 -0.26 0.00 0.00 64.21 67.22 2wc3 n SER 230 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2wc3 n GLU 231 N -0.53 1.34 -1.75 4.33 0.00 -1.26 -4.46 120.64 118.31 2wc3 n GLU 231 Ca 0.00 -0.50 -0.40 0.00 0.00 0.00 0.00 57.16 56.27 2wc3 n GLU 231 Cb 0.54 -1.43 0.02 0.00 0.00 0.00 0.00 31.44 30.57 2wc3 n GLU 231 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2wc3 n LYS 232 N -0.35 2.04 -0.12 5.31 5.02 -1.26 -4.83 118.16 123.96 2wc3 n LYS 232 Ca 0.19 0.73 -0.03 0.00 -2.02 0.00 0.00 58.31 57.18 2wc3 n LYS 232 Cb 0.22 -2.57 0.18 0.00 -0.02 0.00 0.00 35.03 32.84 2wc3 n LYS 232 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2wc3 h GLU 233 N 2.01 0.81 0.00 1.97 5.08 -1.99 -0.96 114.58 121.49 2wc3 h GLU 233 Ca -0.50 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 57.65 2wc3 h GLU 233 Cb 1.28 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2wc3 h GLU 233 CO 0.60 0.77 -0.11 1.05 -1.00 0.00 0.00 179.01 180.31 2wc3 h GLU 234 N 0.78 0.00 -0.01 2.33 9.09 -1.97 -0.85 114.58 123.95 2wc3 h GLU 234 Ca 0.16 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.48 2wc3 h GLU 234 Cb 0.35 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.46 2wc3 h GLU 234 CO 0.01 0.11 -0.38 -0.44 0.05 0.00 0.00 179.01 178.36 2wc3 h ASP 235 N 0.00 0.34 -0.83 3.06 3.32 -1.51 -1.02 116.42 119.79 2wc3 h ASP 235 Ca -0.00 -0.76 0.03 0.00 0.02 0.00 0.00 57.03 56.31 2wc3 h ASP 235 Cb 0.52 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 2wc3 h ASP 235 CO 0.01 1.06 0.54 0.40 -1.72 0.00 0.00 179.24 179.54 2wc3 h ILE 236 N -0.35 1.16 -0.53 0.35 2.04 -1.26 -2.06 117.51 116.87 2wc3 h ILE 236 Ca -0.05 -0.36 -0.10 0.00 1.00 0.00 0.00 64.86 65.35 2wc3 h ILE 236 Cb 1.11 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2wc3 h ILE 236 CO 0.07 0.19 -0.06 -0.09 0.00 0.00 0.00 178.15 178.26 2wc3 h ARG 237 N 1.05 0.97 -0.79 2.37 1.12 -1.11 -2.59 114.38 115.40 2wc3 h ARG 237 Ca 0.32 -0.34 0.09 0.00 -1.11 0.00 0.00 59.98 58.94 2wc3 h ARG 237 Cb -0.02 -0.07 -0.07 0.00 -0.01 0.00 0.00 29.97 29.80 2wc3 h ARG 237 CO -0.09 1.01 0.44 0.00 -3.11 0.00 0.00 179.97 178.23 2wc3 h ALA 238 N 0.93 1.11 -0.61 2.80 0.00 -0.80 0.35 119.26 123.04 2wc3 h ALA 238 Ca 0.14 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2wc3 h ALA 238 Cb 0.62 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2wc3 h ALA 238 CO 0.04 0.07 0.24 0.28 0.00 0.00 0.00 179.25 179.88 2wc3 h VAL 239 N 0.75 1.23 -0.65 0.00 2.07 -1.24 -1.27 116.25 117.14 2wc3 h VAL 239 Ca 0.38 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 67.21 2wc3 h VAL 239 Cb 0.34 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 2wc3 h VAL 239 CO -0.24 0.28 0.38 0.03 0.02 0.00 0.00 177.57 178.04 2wc3 h ARG 240 N 0.85 0.71 -0.07 1.57 3.08 -1.01 -0.69 114.38 118.82 2wc3 h ARG 240 Ca 0.20 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.22 2wc3 h ARG 240 Cb 0.21 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2wc3 h ARG 240 CO -0.02 0.47 -0.01 0.35 -1.07 0.00 0.00 179.97 179.69 2wc3 h PHE 241 N 0.73 -0.02 -0.56 3.04 3.57 -0.40 -1.48 116.94 121.83 2wc3 h PHE 241 Ca 0.28 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.73 2wc3 h PHE 241 Cb 0.11 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 2wc3 h PHE 241 CO -0.06 -0.02 0.14 0.52 -2.23 0.00 0.00 178.31 176.66 2wc3 h MET 242 N 0.01 0.85 -0.06 1.11 2.86 -0.95 0.23 114.93 118.99 2wc3 h MET 242 Ca 0.03 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2wc3 h MET 242 Cb 0.04 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 2wc3 h MET 242 CO -0.06 0.76 0.03 1.25 1.06 0.00 0.00 176.91 179.94 2wc3 h HIS 243 N 0.82 0.08 -0.34 -0.22 -0.00 -0.97 0.50 115.15 115.03 2wc3 h HIS 243 Ca 0.18 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.49 2wc3 h HIS 243 Cb 0.29 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.65 2wc3 h HIS 243 CO 0.02 0.18 -0.03 1.96 -0.00 0.00 0.00 177.93 180.06 2wc3 h GLN 244 N -0.04 0.54 0.00 5.26 4.20 -0.87 -2.40 115.11 121.80 2wc3 h GLN 244 Ca 0.02 -0.13 -0.12 0.00 0.06 0.00 0.00 58.65 58.48 2wc3 h GLN 244 Cb 0.13 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2wc3 h GLN 244 CO -0.00 0.60 -0.80 0.35 -0.67 0.00 0.00 178.83 178.31 2wc3 h PHE 245 N 0.52 0.00 0.00 2.96 3.57 -0.45 -1.62 116.94 121.92 2wc3 h PHE 245 Ca 0.11 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.45 2wc3 h PHE 245 Cb 0.39 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 2wc3 h PHE 245 CO 0.01 0.94 -0.74 -0.97 -2.23 0.00 0.00 178.31 175.33 2wc3 h ASN 246 N -1.00 0.00 -5.77 0.41 -1.24 -1.03 -3.42 115.58 103.53 2wc3 h ASN 246 Ca -0.19 0.00 -0.34 0.00 0.71 0.00 0.00 56.30 56.48 2wc3 h ASN 246 Cb 0.97 0.00 0.02 0.00 0.73 0.00 0.00 38.32 40.03 2wc3 h ASN 246 CO -0.11 0.74 -0.06 0.59 -1.29 0.00 0.00 177.43 177.30 2wc3 n ASN 247 N -3.30 1.52 -0.50 1.15 3.02 -0.90 -4.56 115.26 111.68 2wc3 n ASN 247 Ca 0.01 -2.09 0.43 0.00 -0.03 0.00 0.00 54.58 52.90 2wc3 n ASN 247 Cb 0.82 -0.28 0.77 0.00 -0.61 0.00 0.00 39.78 40.48 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 0.10 0.06 -0.35 3.10 -0.00 -1.79 -2.98 116.97 115.12 2wc3 h TYR 248 Ca -0.19 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.53 2wc3 h TYR 248 Cb 0.87 -0.02 -0.02 0.00 0.00 0.00 0.00 36.73 37.57 2wc3 h TYR 248 CO 0.00 -0.01 0.15 -1.35 -0.00 0.00 0.00 178.16 176.95 2wc3 h PRO 249 N 0.02 0.49 -0.97 0.10 0.11 -1.77 0.21 132.00 130.19 2wc3 h PRO 249 Ca 0.75 -0.05 0.31 0.00 0.11 0.00 0.00 66.00 67.11 2wc3 h PRO 249 Cb 2.93 -0.10 -0.16 0.00 0.11 0.00 0.00 31.00 33.78 2wc3 h PRO 249 CO -0.05 0.40 0.42 1.25 -0.21 0.00 0.00 178.00 179.80 2wc3 h LEU 250 N 0.49 0.24 0.00 2.35 5.85 -1.12 -0.06 115.31 123.06 2wc3 h LEU 250 Ca 0.12 0.21 -0.33 0.00 0.84 0.00 0.00 57.88 58.72 2wc3 h LEU 250 Cb 0.08 0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 2wc3 h LEU 250 CO -0.02 -0.22 -2.26 0.49 -0.34 0.00 0.00 178.44 176.10 2wc3 n PHE 251 N -5.18 0.00 0.17 1.25 3.72 -0.71 -4.39 117.46 112.32 2wc3 n PHE 251 Ca 0.29 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.74 2wc3 n PHE 251 Cb 0.93 -0.88 0.18 0.00 -0.94 0.00 0.00 39.48 38.77 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 0.00 4.37 3.38 -0.54 -1.50 115.31 121.02 2wc3 h LEU 252 Ca -0.50 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 2wc3 h LEU 252 Cb 1.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.73 2wc3 h LEU 252 CO -0.02 0.40 -0.00 -1.13 0.09 0.00 0.00 178.44 177.78 2wc3 h ASN 253 N 0.00 -0.00 0.09 -0.43 -1.24 -1.20 -0.49 115.58 112.31 2wc3 h ASN 253 Ca -0.00 -0.25 0.02 0.00 0.71 0.00 0.00 56.30 56.78 2wc3 h ASN 253 Cb 1.14 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.15 2wc3 h ASN 253 CO 0.05 0.25 -0.37 -0.65 -1.29 0.00 0.00 177.43 175.42 2wc3 h PRO 254 N -0.25 -0.57 -0.09 6.67 0.11 -1.09 0.24 132.00 137.02 2wc3 h PRO 254 Ca -0.00 0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.15 2wc3 h PRO 254 Cb 0.25 0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 2wc3 h PRO 254 CO 0.00 -0.38 0.04 0.82 -0.21 0.00 0.00 178.00 178.28 2wc3 h ILE 255 N -0.59 1.00 0.00 4.15 2.04 -1.22 -1.87 117.51 121.02 2wc3 h ILE 255 Ca 0.03 -0.03 -0.08 0.00 1.00 0.00 0.00 64.86 65.78 2wc3 h ILE 255 Cb 0.63 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 2wc3 h ILE 255 CO -0.23 0.02 -0.56 1.88 0.00 0.00 0.00 178.15 179.25 2wc3 h TYR 256 N 0.10 0.00 0.13 1.37 0.05 -1.18 -3.38 116.97 114.06 2wc3 h TYR 256 Ca 0.04 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.51 2wc3 h TYR 256 Cb 0.01 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 2wc3 h TYR 256 CO -0.09 0.80 -1.52 0.00 -1.05 0.00 0.00 178.16 176.30 2wc3 h ARG 257 N -1.00 0.28 0.00 4.88 3.08 -0.71 -3.49 114.38 117.42 2wc3 h ARG 257 Ca -0.13 -0.47 0.00 0.00 0.07 0.00 0.00 59.98 59.45 2wc3 h ARG 257 Cb 0.84 0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.07 2wc3 h ARG 257 CO -0.08 1.15 0.00 0.41 -1.07 0.00 0.00 179.97 180.39 2wc3 n GLY 258 N 1.67 1.22 3.75 0.04 0.00 -0.02 -4.99 105.19 106.86 2wc3 n GLY 258 Ca -0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 -0.22 0.64 1.61 -1.08 -1.17 -4.86 116.67 109.60 2wc3 s ASP 259 Ca 0.00 -0.41 -0.12 0.00 -0.52 0.00 0.00 52.55 51.49 2wc3 s ASP 259 Cb 0.00 0.54 -0.02 0.00 -1.46 0.00 0.00 42.92 41.98 2wc3 s ASP 259 CO 0.00 -0.99 1.05 -0.31 0.52 0.00 0.00 175.17 175.44 2wc3 s TYR 260 N -3.44 3.21 0.56 -5.34 2.02 -1.26 -1.03 117.35 112.07 2wc3 s TYR 260 Ca 0.11 1.42 -0.19 0.00 -0.37 0.00 0.00 57.07 58.04 2wc3 s TYR 260 Cb -0.02 -2.87 -0.05 0.00 -0.40 0.00 0.00 41.96 38.62 2wc3 s TYR 260 CO 0.02 -1.03 1.14 -1.25 -1.57 0.00 0.00 175.55 172.86 2wc3 s PRO 261 N -4.77 3.23 0.20 -1.71 0.04 -1.26 -4.80 135.00 125.93 2wc3 s PRO 261 Ca 0.59 1.62 -0.10 0.00 0.04 0.00 0.00 61.00 63.15 2wc3 s PRO 261 Cb -0.14 -1.99 0.23 0.00 0.04 0.00 0.00 34.50 32.65 2wc3 s PRO 261 CO 0.49 -0.95 1.77 1.49 0.04 0.00 0.00 177.00 179.83 2wc3 h GLU 262 N 1.02 0.47 0.00 4.56 4.81 -1.98 0.27 114.58 123.71 2wc3 h GLU 262 Ca -0.50 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.65 2wc3 h GLU 262 Cb 1.27 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 2wc3 h GLU 262 CO 0.56 0.31 -0.24 -0.07 -0.73 0.00 0.00 179.01 178.84 2wc3 h LEU 263 N 0.48 0.00 -0.12 1.64 3.38 -1.96 -1.45 115.31 117.28 2wc3 h LEU 263 Ca 0.28 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 2wc3 h LEU 263 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2wc3 h LEU 263 CO -0.24 0.24 -0.23 0.58 0.09 0.00 0.00 178.44 178.88 2wc3 h VAL 264 N 0.00 1.38 -0.62 1.22 2.07 -1.35 -2.78 116.25 116.17 2wc3 h VAL 264 Ca -0.00 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.02 2wc3 h VAL 264 Cb 0.74 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 2wc3 h VAL 264 CO 0.03 0.44 0.38 -0.07 0.02 0.00 0.00 177.57 178.37 2wc3 h LEU 265 N -0.05 0.74 -0.83 2.57 3.38 -0.97 0.56 115.31 120.71 2wc3 h LEU 265 Ca 0.01 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 57.99 2wc3 h LEU 265 Cb 0.81 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 2wc3 h LEU 265 CO 0.05 0.57 0.50 -0.33 0.09 0.00 0.00 178.44 179.33 2wc3 h GLU 266 N 0.84 0.87 -0.06 1.13 5.08 -1.32 0.13 114.58 121.25 2wc3 h GLU 266 Ca 0.22 -0.05 -0.24 0.00 -1.00 0.00 0.00 59.36 58.29 2wc3 h GLU 266 Cb -0.03 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.03 2wc3 h GLU 266 CO -0.04 0.58 -0.91 0.35 -1.00 0.00 0.00 179.01 177.98 2wc3 h PHE 267 N 0.90 0.94 0.00 4.33 3.57 -1.16 -3.42 116.94 122.10 2wc3 h PHE 267 Ca 0.37 -0.47 0.00 0.00 3.53 0.00 0.00 57.97 61.40 2wc3 h PHE 267 Cb 0.22 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.83 2wc3 h PHE 267 CO -0.04 1.30 0.00 0.00 -2.23 0.00 0.00 178.31 177.33 2wc3 n ALA 268 N -2.60 2.04 -0.35 2.41 0.00 0.19 -4.75 120.51 117.45 2wc3 n ALA 268 Ca -0.08 -0.42 0.25 0.00 0.00 0.00 0.00 53.44 53.18 2wc3 n ALA 268 Cb 0.81 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.76 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 0.34 -0.77 0.00 2.43 -0.92 0.28 114.38 115.74 2wc3 h ARG 269 Ca 0.00 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.26 2wc3 h ARG 269 Cb 0.10 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.52 2wc3 h ARG 269 CO 0.00 0.22 0.51 1.49 -1.51 0.00 0.00 179.97 180.68 2wc3 h GLU 270 N 0.35 0.60 0.00 0.20 4.57 -1.85 -2.84 114.58 115.60 2wc3 h GLU 270 Ca 0.70 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.85 2wc3 h GLU 270 Cb 1.70 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 30.16 2wc3 h GLU 270 CO -0.49 0.39 -1.10 0.66 -1.18 0.00 0.00 179.01 177.30 2wc3 n TYR 271 N -4.50 0.71 -1.59 0.92 4.01 0.96 -4.90 117.16 112.77 2wc3 n TYR 271 Ca 0.14 0.21 -0.31 0.00 -0.16 0.00 0.00 57.90 57.77 2wc3 n TYR 271 Cb 0.39 -0.80 0.05 0.00 -0.31 0.00 0.00 39.34 38.68 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 -4.93 3.15 0.38 7.72 1.43 -1.07 -4.40 118.68 120.95 2wc3 s LEU 272 Ca -0.00 1.64 -0.28 0.00 -1.03 0.00 0.00 54.13 54.46 2wc3 s LEU 272 Cb 0.11 -4.50 -0.11 0.00 0.03 0.00 0.00 46.19 41.72 2wc3 s LEU 272 CO 0.80 -1.46 1.48 -2.65 0.23 0.00 0.00 176.35 174.75 2wc3 n PRO 273 N -3.08 2.65 -0.19 1.29 -0.02 -1.26 -4.90 135.00 129.49 2wc3 n PRO 273 Ca 0.08 0.93 -0.07 0.00 -2.02 0.00 0.00 63.50 62.42 2wc3 n PRO 273 Cb 0.53 -2.65 -0.01 0.00 -0.02 0.00 0.00 33.50 31.35 2wc3 n PRO 273 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2wc3 h GLU 274 N 2.93 -0.20 -1.25 -0.52 4.81 -1.93 -1.35 114.58 117.08 2wc3 h GLU 274 Ca -0.50 0.01 -0.66 0.00 -0.13 0.00 0.00 59.36 58.08 2wc3 h GLU 274 Cb 1.24 0.04 -0.27 0.00 0.63 0.00 0.00 28.75 30.40 2wc3 h GLU 274 CO 0.64 -0.13 0.86 0.09 -0.73 0.00 0.00 179.01 179.73 2wc3 n ASN 275 N -5.42 7.54 -0.20 1.04 4.13 -1.26 -4.71 115.26 116.37 2wc3 n ASN 275 Ca 0.03 -3.71 0.08 0.00 1.68 0.00 0.00 54.58 52.65 2wc3 n ASN 275 Cb 0.35 -1.01 0.36 0.00 -1.54 0.00 0.00 39.78 37.95 2wc3 n ASN 275 CO 0.00 0.00 0.00 0.10 0.28 0.00 0.00 177.26 177.64 2wc3 h TYR 276 N 2.15 0.76 0.00 3.10 -0.00 -1.60 -1.92 116.97 119.45 2wc3 h TYR 276 Ca 0.57 0.02 0.00 0.00 0.00 0.00 0.00 58.73 59.32 2wc3 h TYR 276 Cb 0.68 -0.25 0.00 0.00 0.00 0.00 0.00 36.73 37.16 2wc3 h TYR 276 CO 1.34 0.37 0.00 -0.22 -0.00 0.00 0.00 178.16 179.65 2wc3 h LYS 277 N 0.73 0.00 0.00 0.10 3.64 -1.85 -1.88 116.57 117.31 2wc3 h LYS 277 Ca 0.35 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.68 2wc3 h LYS 277 Cb 0.39 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2wc3 h LYS 277 CO -0.13 0.00 -0.22 -0.44 -2.27 0.00 0.00 179.45 176.39 2wc3 h ASP 278 N 0.00 0.00 1.01 4.20 3.32 -1.75 -2.53 116.42 120.67 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 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2wc3 h ASP 278 CO 0.00 0.22 0.00 0.47 -1.72 0.00 0.00 179.24 178.21 2wc3 n ASP 279 N -3.91 0.09 -0.21 6.45 8.00 -0.71 -4.34 116.55 121.93 2wc3 n ASP 279 Ca -0.02 0.51 -0.07 0.00 0.71 0.00 0.00 54.79 55.92 2wc3 n ASP 279 Cb 0.31 -0.53 0.03 0.00 -0.02 0.00 0.00 41.12 40.90 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 0.82 -0.68 -1.24 2.86 -1.58 -1.40 114.93 113.70 2wc3 h MET 280 Ca 0.00 -0.10 0.12 0.00 -2.06 0.00 0.00 59.70 57.66 2wc3 h MET 280 Cb 0.50 -0.16 -0.09 0.00 0.06 0.00 0.00 31.60 31.92 2wc3 h MET 280 CO 0.00 0.64 0.25 1.03 1.06 0.00 0.00 176.91 179.89 2wc3 h SER 281 N 0.79 0.23 0.06 1.22 0.87 -1.79 -0.74 113.55 114.19 2wc3 h SER 281 Ca 0.20 0.10 -0.15 0.00 -1.23 0.00 0.00 61.79 60.72 2wc3 h SER 281 Cb 0.06 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 2wc3 h SER 281 CO -0.03 0.11 -0.50 -0.33 -0.53 0.00 0.00 176.83 175.55 2wc3 h GLU 282 N 0.42 0.50 -0.13 2.24 5.08 -1.61 -3.01 114.58 118.06 2wc3 h GLU 282 Ca 0.36 -0.29 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2wc3 h GLU 282 Cb 0.51 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2wc3 h GLU 282 CO -0.37 0.89 0.14 0.82 -1.00 0.00 0.00 179.01 179.49 2wc3 h ILE 283 N 0.40 0.57 0.00 3.13 2.04 -0.14 -2.70 117.51 120.80 2wc3 h ILE 283 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2wc3 h ILE 283 Cb 1.01 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 2wc3 h ILE 283 CO 0.09 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.24 2wc3 n GLN 284 N -3.95 0.63 -1.46 2.37 6.02 -0.72 -4.56 117.38 115.72 2wc3 n GLN 284 Ca 0.00 0.00 -0.57 0.00 -0.01 0.00 0.00 57.00 56.42 2wc3 n GLN 284 Cb 0.25 -1.35 -0.08 0.00 1.02 0.00 0.00 30.24 30.08 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 -0.85 0.00 -2.50 -1.09 4.07 -1.02 -4.80 120.64 114.45 2wc3 n GLU 285 Ca 0.11 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.82 2wc3 n GLU 285 Cb 0.05 -1.42 -0.04 0.00 -0.06 0.00 0.00 31.44 29.96 2wc3 n GLU 285 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2wc3 s LYS 286 N 0.38 4.43 0.27 5.31 2.20 -1.26 -5.01 119.74 126.06 2wc3 s LYS 286 Ca 0.88 1.68 0.11 0.00 -0.36 0.00 0.00 55.97 58.28 2wc3 s LYS 286 Cb -1.24 -2.91 -0.05 0.00 -1.51 0.00 0.00 37.83 32.13 2wc3 s LYS 286 CO 0.57 0.06 -0.10 0.96 -0.36 0.00 0.00 175.35 176.48 2wc3 s ILE 287 N -1.37 2.97 -0.10 5.43 -4.36 -1.26 -4.99 121.20 117.51 2wc3 s ILE 287 Ca 0.50 -2.15 0.11 0.00 -0.26 0.00 0.00 60.65 58.85 2wc3 s ILE 287 Cb -0.28 -2.58 -0.24 0.00 1.25 0.00 0.00 42.46 40.61 2wc3 s ILE 287 CO 0.35 -0.38 0.45 0.47 0.24 0.00 0.00 174.94 176.07 2wc3 n ASP 288 N -0.77 0.85 -3.74 4.36 8.00 0.40 -4.91 116.55 120.75 2wc3 n ASP 288 Ca -0.06 0.27 -0.10 0.00 0.71 0.00 0.00 54.79 55.61 2wc3 n ASP 288 Cb 0.60 0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.74 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 -2.56 -0.09 -0.17 1.24 -0.12 -1.17 -3.95 117.98 111.16 2wc3 s PHE 289 Ca -0.09 -0.25 -0.02 0.00 -0.05 0.00 0.00 56.93 56.51 2wc3 s PHE 289 Cb 0.07 0.34 -0.02 0.00 -0.63 0.00 0.00 43.02 42.78 2wc3 s PHE 289 CO 0.81 -0.87 -0.08 0.08 -0.05 0.00 0.00 175.22 175.11 2wc3 s VAL 290 N -3.87 3.36 -0.15 -2.49 1.01 -0.87 -3.47 120.40 113.91 2wc3 s VAL 290 Ca 0.09 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.40 2wc3 s VAL 290 Cb -0.00 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 2wc3 s VAL 290 CO -0.04 0.48 0.31 -0.83 0.00 0.00 0.00 175.10 175.02 2wc3 s GLY 291 N 0.77 2.24 -0.08 4.51 0.00 0.75 -1.23 107.32 114.26 2wc3 s GLY 291 Ca -0.03 -0.42 0.04 0.00 0.00 0.00 0.00 44.72 44.31 2wc3 s GLY 291 CO 0.02 0.44 -0.22 1.08 0.00 0.00 0.00 173.10 174.42 2wc3 s LEU 292 N 0.40 2.23 0.01 0.66 1.43 0.08 -1.14 118.68 122.36 2wc3 s LEU 292 Ca 0.18 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 52.80 2wc3 s LEU 292 Cb -0.13 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 2wc3 s LEU 292 CO 0.05 0.21 0.11 0.20 0.23 0.00 0.00 176.35 177.14 2wc3 s ASN 293 N 0.06 5.81 -0.16 2.29 0.01 0.23 -1.81 114.94 121.37 2wc3 s ASN 293 Ca -0.09 0.16 -0.08 0.00 -0.71 0.00 0.00 52.86 52.14 2wc3 s ASN 293 Cb -0.15 -1.69 0.06 0.00 0.41 0.00 0.00 41.25 39.88 2wc3 s ASN 293 CO 0.06 0.25 0.38 -0.47 -1.51 0.00 0.00 177.10 175.80 2wc3 s TYR 294 N -1.27 -0.58 0.00 2.20 5.04 -0.99 -2.57 117.35 119.18 2wc3 s TYR 294 Ca 0.25 1.23 0.00 0.00 -2.44 0.00 0.00 57.07 56.11 2wc3 s TYR 294 Cb -0.12 0.22 0.00 0.00 0.35 0.00 0.00 41.96 42.41 2wc3 s TYR 294 CO 0.17 -0.35 0.00 0.66 -1.34 0.00 0.00 175.55 174.69 2wc3 n TYR 295 N 4.48 0.00 -3.69 4.97 4.02 -1.26 -4.37 117.16 121.31 2wc3 n TYR 295 Ca -0.21 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.58 2wc3 n TYR 295 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.80 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 -2.64 -0.15 0.14 7.72 1.04 -1.26 -4.70 113.70 113.84 2wc3 s SER 296 Ca 0.00 -0.34 0.10 0.00 0.48 0.00 0.00 55.95 56.19 2wc3 s SER 296 Cb 0.00 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 2wc3 s SER 296 CO 0.00 -0.78 -0.24 -0.83 0.98 0.00 0.00 173.24 172.36 2wc3 s GLY 297 N -2.66 1.53 -0.02 7.32 0.00 -1.20 -1.91 107.32 110.37 2wc3 s GLY 297 Ca 0.02 -1.47 0.01 0.00 0.00 0.00 0.00 44.72 43.28 2wc3 s GLY 297 CO -0.10 -1.47 -0.01 0.30 0.00 0.00 0.00 173.10 171.82 2wc3 s HIS 298 N -1.31 0.29 -0.09 1.90 3.76 0.24 -4.40 115.29 115.69 2wc3 s HIS 298 Ca 0.14 -0.01 -0.17 0.00 -0.15 0.00 0.00 55.06 54.87 2wc3 s HIS 298 Cb -0.09 -0.33 -0.05 0.00 1.11 0.00 0.00 32.58 33.22 2wc3 s HIS 298 CO 0.07 -0.09 0.45 -1.17 -0.85 0.00 0.00 174.74 173.15 2wc3 s LEU 299 N 0.68 4.33 -0.02 0.89 2.96 -1.26 -0.76 118.68 125.49 2wc3 s LEU 299 Ca -0.07 0.84 0.03 0.00 -0.22 0.00 0.00 54.13 54.71 2wc3 s LEU 299 Cb -0.10 -2.66 -0.00 0.00 0.50 0.00 0.00 46.19 43.93 2wc3 s LEU 299 CO -0.01 0.09 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.31 2wc3 s VAL 300 N 0.19 0.84 0.18 1.68 1.01 -0.11 -0.07 120.40 124.13 2wc3 s VAL 300 Ca 0.25 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.88 2wc3 s VAL 300 Cb -0.15 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 2wc3 s VAL 300 CO 0.11 0.26 -0.11 -1.59 0.00 0.00 0.00 175.10 173.77 2wc3 s LYS 301 N 0.07 1.21 0.02 2.72 -2.85 -0.76 -0.64 119.74 119.51 2wc3 s LYS 301 Ca -0.01 -1.54 -0.30 0.00 -1.00 0.00 0.00 55.97 53.11 2wc3 s LYS 301 Cb -0.08 -0.83 -0.05 0.00 -2.06 0.00 0.00 37.83 34.81 2wc3 s LYS 301 CO 0.00 0.10 1.25 0.12 0.10 0.00 0.00 175.35 176.93 2wc3 s PHE 302 N -3.19 3.25 -0.25 1.78 5.36 -1.26 -2.28 117.98 121.39 2wc3 s PHE 302 Ca 0.21 1.16 -0.02 0.00 -0.96 0.00 0.00 56.93 57.31 2wc3 s PHE 302 Cb 0.02 -3.49 0.08 0.00 -0.34 0.00 0.00 43.02 39.29 2wc3 s PHE 302 CO 0.04 -1.61 0.07 0.34 -1.46 0.00 0.00 175.22 172.61 2wc3 s ASP 303 N 1.33 3.38 0.00 6.13 -1.08 -0.47 -4.88 116.67 121.08 2wc3 s ASP 303 Ca 0.59 -1.17 0.10 0.00 -0.52 0.00 0.00 52.55 51.56 2wc3 s ASP 303 Cb -0.29 -0.64 0.44 0.00 -1.46 0.00 0.00 42.92 40.97 2wc3 s ASP 303 CO 0.27 -0.37 1.33 -0.81 0.52 0.00 0.00 175.17 176.12 2wc3 n PRO 304 N 5.02 0.00 -0.01 4.34 -0.04 -1.26 -2.17 135.00 140.88 2wc3 n PRO 304 Ca -0.06 0.32 0.05 0.00 -0.04 0.00 0.00 63.50 63.78 2wc3 n PRO 304 Cb 0.45 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 2wc3 n PRO 304 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wc3 n ASP 305 N -1.50 0.18 -4.78 3.54 9.92 -1.26 -4.89 116.55 117.76 2wc3 n ASP 305 Ca 0.02 0.08 -0.32 0.00 -0.53 0.00 0.00 54.79 54.04 2wc3 n ASP 305 Cb 0.12 1.42 0.06 0.00 -0.64 0.00 0.00 41.12 42.08 2wc3 n ASP 305 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wc3 s ALA 306 N -3.22 2.45 0.09 2.24 0.00 -0.92 -4.90 121.76 117.51 2wc3 s ALA 306 Ca -0.07 0.40 -0.22 0.00 0.00 0.00 0.00 51.96 52.07 2wc3 s ALA 306 Cb 0.11 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 19.88 2wc3 s ALA 306 CO 0.87 -1.37 1.36 -1.35 0.00 0.00 0.00 175.76 175.27 2wc3 h PRO 307 N -0.35 -0.20 -0.67 0.00 0.11 -1.89 -0.89 132.00 128.11 2wc3 h PRO 307 Ca -0.45 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2wc3 h PRO 307 Cb 1.24 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2wc3 h PRO 307 CO 0.54 -0.14 0.00 0.00 -0.21 0.00 0.00 178.00 178.19 2wc3 n ALA 308 N -3.00 3.29 -1.19 -0.75 0.00 -1.26 -4.86 120.51 112.73 2wc3 n ALA 308 Ca -0.02 -1.28 -0.07 0.00 0.00 0.00 0.00 53.44 52.08 2wc3 n ALA 308 Cb 0.22 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 2wc3 n ALA 308 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wc3 n LYS 309 N 0.56 -0.59 -4.23 0.00 4.01 -0.34 -5.00 118.16 112.56 2wc3 n LYS 309 Ca 0.19 0.68 -0.17 0.00 -0.51 0.00 0.00 58.31 58.51 2wc3 n LYS 309 Cb 0.83 -4.48 -0.14 0.00 -0.51 0.00 0.00 35.03 30.74 2wc3 n LYS 309 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2wc3 s VAL 310 N -2.18 0.64 0.03 -0.18 1.01 -1.25 -1.37 120.40 117.11 2wc3 s VAL 310 Ca 0.00 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 2wc3 s VAL 310 Cb 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 2wc3 s VAL 310 CO 0.00 0.01 -0.03 -0.94 0.00 0.00 0.00 175.10 174.14 2wc3 s SER 311 N -0.63 0.36 0.32 3.32 1.04 -0.97 -4.74 113.70 112.42 2wc3 s SER 311 Ca -0.00 -0.69 -0.25 0.00 0.48 0.00 0.00 55.95 55.48 2wc3 s SER 311 Cb -0.05 0.14 -0.10 0.00 0.10 0.00 0.00 66.02 66.11 2wc3 s SER 311 CO 0.00 -0.41 0.93 -0.36 0.98 0.00 0.00 173.24 174.38 2wc3 s PHE 312 N -2.40 3.67 -0.20 5.02 0.40 -1.26 -1.83 117.98 121.37 2wc3 s PHE 312 Ca -0.07 1.75 0.01 0.00 -0.60 0.00 0.00 56.93 58.02 2wc3 s PHE 312 Cb -0.03 -2.90 0.03 0.00 0.51 0.00 0.00 43.02 40.63 2wc3 s PHE 312 CO -0.04 0.20 -0.17 0.08 0.70 0.00 0.00 175.22 175.98 2wc3 s VAL 313 N -1.64 2.07 0.46 -0.44 1.01 0.90 -4.91 120.40 117.84 2wc3 s VAL 313 Ca 0.50 -1.11 -0.25 0.00 0.00 0.00 0.00 61.98 61.12 2wc3 s VAL 313 Cb -0.18 -1.96 -0.08 0.00 0.00 0.00 0.00 36.38 34.16 2wc3 s VAL 313 CO 0.23 0.39 1.44 -0.70 0.00 0.00 0.00 175.10 176.46 2wc3 s GLU 314 N 1.25 3.66 0.21 2.72 2.12 -1.26 -4.18 118.70 123.21 2wc3 s GLU 314 Ca 0.01 2.45 0.10 0.00 0.36 0.00 0.00 54.97 57.90 2wc3 s GLU 314 Cb -0.15 -2.65 -0.04 0.00 0.26 0.00 0.00 34.13 31.55 2wc3 s GLU 314 CO -0.11 -0.85 -0.14 1.03 -0.54 0.00 0.00 175.26 174.64 2wc3 s ARG 315 N -2.47 1.87 -1.29 4.30 0.52 -1.26 -5.04 118.95 115.58 2wc3 s ARG 315 Ca 0.61 -1.44 -0.11 0.00 -0.52 0.00 0.00 55.73 54.28 2wc3 s ARG 315 Cb -0.44 -2.01 0.15 0.00 0.52 0.00 0.00 34.95 33.17 2wc3 s ARG 315 CO 0.57 0.40 1.85 -0.25 0.02 0.00 0.00 175.30 177.89 2wc3 n ASP 316 N -0.10 4.98 -4.36 0.23 10.43 -1.26 -4.93 116.55 121.54 2wc3 n ASP 316 Ca -0.10 -3.06 -0.21 0.00 2.57 0.00 0.00 54.79 53.99 2wc3 n ASP 316 Cb 0.57 -1.51 -0.11 0.00 1.84 0.00 0.00 41.12 41.91 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 0.40 2.51 0.48 0.64 1.02 -1.26 -5.11 118.68 117.35 2wc3 s LEU 317 Ca 0.41 -0.95 -0.24 0.00 0.02 0.00 0.00 54.13 53.37 2wc3 s LEU 317 Cb 0.08 -0.82 -0.08 0.00 0.02 0.00 0.00 46.19 45.40 2wc3 s LEU 317 CO -0.00 -0.07 1.33 -2.65 0.02 0.00 0.00 176.35 174.98 2wc3 n PRO 318 N -0.11 1.92 -4.20 1.29 -0.02 -1.26 -4.81 135.00 127.81 2wc3 n PRO 318 Ca -0.10 0.69 -0.17 0.00 -2.02 0.00 0.00 63.50 61.90 2wc3 n PRO 318 Cb 0.59 -2.51 -0.11 0.00 -0.02 0.00 0.00 33.50 31.45 2wc3 n PRO 318 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wc3 s LYS 319 N -2.51 0.91 0.57 -0.52 1.02 -1.26 -0.17 119.74 117.78 2wc3 s LYS 319 Ca 0.65 -1.14 -0.09 0.00 0.02 0.00 0.00 55.97 55.40 2wc3 s LYS 319 Cb -0.46 -0.75 0.13 0.00 -0.52 0.00 0.00 37.83 36.23 2wc3 s LYS 319 CO 0.55 0.14 0.77 0.25 -0.92 0.00 0.00 175.35 176.14 2wc3 n THR 320 N 0.72 0.00 0.47 2.17 -2.24 -0.41 -4.86 114.28 110.13 2wc3 n THR 320 Ca -0.17 -0.58 0.06 0.00 -2.27 0.00 0.00 64.05 61.09 2wc3 n THR 320 Cb 0.57 -1.70 0.28 0.00 -2.10 0.00 0.00 70.33 67.37 2wc3 n THR 320 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wc3 n ALA 321 N -3.49 1.61 1.11 6.98 0.00 0.05 -1.20 120.51 125.57 2wc3 n ALA 321 Ca -0.13 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.40 2wc3 n ALA 321 Cb 0.34 -1.20 0.46 0.00 0.00 0.00 0.00 19.45 19.05 2wc3 n ALA 321 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2wc3 n MET 322 N -1.44 0.21 -0.82 0.00 2.81 -1.26 -4.91 117.12 111.71 2wc3 n MET 322 Ca 0.04 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 2wc3 n MET 322 Cb 0.13 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 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 1.44 0.68 3.68 3.03 0.00 -0.34 -5.02 105.19 108.65 2wc3 n GLY 323 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2wc3 n GLY 323 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wc3 s TRP 324 N -2.45 3.46 0.20 1.61 0.51 -1.26 -4.78 118.94 116.24 2wc3 s TRP 324 Ca 0.00 1.25 -0.31 0.00 -2.12 0.00 0.00 56.10 54.92 2wc3 s TRP 324 Cb 0.00 -2.96 -0.10 0.00 -0.81 0.00 0.00 33.47 29.59 2wc3 s TRP 324 CO 0.00 -0.16 1.55 -1.21 -0.51 0.00 0.00 176.95 176.62 2wc3 s GLU 325 N 1.82 4.21 -0.47 4.98 2.02 -1.26 -1.29 118.70 128.72 2wc3 s GLU 325 Ca 0.38 2.38 -0.23 0.00 0.02 0.00 0.00 54.97 57.53 2wc3 s GLU 325 Cb -0.17 -3.13 0.03 0.00 0.10 0.00 0.00 34.13 30.96 2wc3 s GLU 325 CO 0.14 -0.58 0.77 0.42 0.02 0.00 0.00 175.26 176.03 2wc3 s ILE 326 N 0.80 4.66 -0.49 -1.63 1.01 0.76 -3.26 121.20 123.05 2wc3 s ILE 326 Ca 0.67 0.30 0.03 0.00 0.00 0.00 0.00 60.65 61.65 2wc3 s ILE 326 Cb -0.44 -4.33 0.16 0.00 0.01 0.00 0.00 42.46 37.85 2wc3 s ILE 326 CO 0.35 -0.76 0.33 -0.69 0.00 0.00 0.00 174.94 174.18 2wc3 s VAL 327 N 3.26 1.28 0.26 2.92 1.01 -1.26 -4.71 120.40 123.14 2wc3 s VAL 327 Ca 0.28 -2.93 0.00 0.00 0.00 0.00 0.00 61.98 59.33 2wc3 s VAL 327 Cb -0.13 -1.87 0.05 0.00 0.00 0.00 0.00 36.38 34.43 2wc3 s VAL 327 CO 0.21 -1.05 1.68 -0.65 0.00 0.00 0.00 175.10 175.29 2wc3 h PRO 328 N 6.05 0.58 -0.39 2.72 0.11 -1.93 -1.78 132.00 137.36 2wc3 h PRO 328 Ca 0.13 -0.23 0.11 0.00 0.11 0.00 0.00 66.00 66.13 2wc3 h PRO 328 Cb 0.88 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 2wc3 h PRO 328 CO 0.48 0.78 0.57 1.05 -0.21 0.00 0.00 178.00 180.67 2wc3 h GLU 329 N 0.51 0.00 -0.95 1.05 9.09 -1.95 -1.00 114.58 121.33 2wc3 h GLU 329 Ca 0.07 0.00 0.16 0.00 0.05 0.00 0.00 59.36 59.64 2wc3 h GLU 329 Cb 0.71 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.72 2wc3 h GLU 329 CO 0.05 0.00 0.60 0.78 0.05 0.00 0.00 179.01 180.50 2wc3 h GLY 330 N 0.00 1.40 1.89 1.06 0.00 -1.73 -1.18 103.07 104.52 2wc3 h GLY 330 Ca 0.19 -0.33 -0.18 0.00 0.00 0.00 0.00 47.33 47.01 2wc3 h GLY 330 CO -0.00 0.05 -0.82 1.19 0.00 0.00 0.00 176.54 176.95 2wc3 h ILE 331 N 0.73 1.53 -0.08 2.60 2.10 -1.36 -0.73 117.51 122.30 2wc3 h ILE 331 Ca 0.50 -2.65 -0.00 0.00 1.08 0.00 0.00 64.86 63.79 2wc3 h ILE 331 Cb 0.79 2.45 -0.00 0.00 -1.09 0.00 0.00 36.82 38.97 2wc3 h ILE 331 CO -0.26 0.76 0.04 0.22 -1.08 0.00 0.00 178.15 177.83 2wc3 h TYR 332 N 0.05 0.11 -0.60 2.19 5.03 -1.53 -2.63 116.97 119.59 2wc3 h TYR 332 Ca -0.02 -0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.18 2wc3 h TYR 332 Cb 1.44 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 39.66 2wc3 h TYR 332 CO 0.01 0.21 -0.01 -1.49 -1.32 0.00 0.00 178.16 175.56 2wc3 h TRP 333 N -0.01 1.15 -0.13 -3.82 4.06 -0.93 -1.01 115.95 115.26 2wc3 h TRP 333 Ca 0.03 -0.20 -0.09 0.00 2.06 0.00 0.00 58.89 60.68 2wc3 h TRP 333 Cb 0.14 -0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 27.98 2wc3 h TRP 333 CO -0.03 1.02 -0.33 0.97 -3.56 0.00 0.00 178.44 176.51 2wc3 h ILE 334 N 0.97 1.28 -0.11 1.49 6.09 -1.18 -0.27 117.51 125.77 2wc3 h ILE 334 Ca 0.17 -1.34 -0.10 0.00 -1.37 0.00 0.00 64.86 62.23 2wc3 h ILE 334 Cb 0.56 1.55 0.00 0.00 0.47 0.00 0.00 36.82 39.40 2wc3 h ILE 334 CO 0.03 0.40 -0.30 -0.07 -3.07 0.00 0.00 178.15 175.14 2wc3 h LEU 335 N 0.23 0.46 -0.47 2.19 3.38 -1.12 -1.26 115.31 118.73 2wc3 h LEU 335 Ca 0.03 -0.59 0.03 0.00 0.09 0.00 0.00 57.88 57.44 2wc3 h LEU 335 Cb 0.70 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2wc3 h LEU 335 CO 0.05 0.97 0.27 0.11 0.09 0.00 0.00 178.44 179.93 2wc3 h LYS 336 N -0.02 0.51 -0.23 1.13 1.79 -1.10 -2.93 116.57 115.73 2wc3 h LYS 336 Ca -0.01 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.44 2wc3 h LYS 336 Cb 0.92 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.43 2wc3 h LYS 336 CO 0.07 0.34 0.12 -0.22 -1.08 0.00 0.00 179.45 178.68 2wc3 h LYS 337 N 0.53 0.25 -0.41 3.15 1.63 -1.01 -1.31 116.57 119.40 2wc3 h LYS 337 Ca 0.20 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.93 2wc3 h LYS 337 Cb 0.05 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 2wc3 h LYS 337 CO -0.11 0.17 0.06 -0.24 -3.45 0.00 0.00 179.45 175.88 2wc3 h VAL 338 N 0.26 1.20 -0.41 2.00 3.04 -1.11 -0.55 116.25 120.68 2wc3 h VAL 338 Ca 0.09 -0.76 -0.08 0.00 -1.01 0.00 0.00 66.70 64.93 2wc3 h VAL 338 Cb 0.01 0.82 -0.01 0.00 -2.01 0.00 0.00 31.29 30.10 2wc3 h VAL 338 CO -0.05 0.27 -0.06 0.50 -1.01 0.00 0.00 177.57 177.22 2wc3 h LYS 339 N 0.61 0.77 -0.23 4.17 3.64 -1.39 0.23 116.57 124.38 2wc3 h LYS 339 Ca 0.13 -0.28 -0.09 0.00 -1.27 0.00 0.00 60.65 59.15 2wc3 h LYS 339 Cb 0.30 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2wc3 h LYS 339 CO 0.00 0.88 -0.23 1.49 -2.27 0.00 0.00 179.45 179.33 2wc3 h GLU 340 N 0.60 0.42 0.08 1.90 4.81 -0.75 -1.95 114.58 119.69 2wc3 h GLU 340 Ca 0.11 -0.14 -0.36 0.00 -0.13 0.00 0.00 59.36 58.84 2wc3 h GLU 340 Cb 0.58 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 2wc3 h GLU 340 CO 0.03 0.63 -2.03 0.39 -0.73 0.00 0.00 179.01 177.30 2wc3 n GLU 341 N -4.15 0.72 0.00 1.92 1.02 -0.26 -4.70 120.64 115.20 2wc3 n GLU 341 Ca -0.00 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 2wc3 n GLU 341 Cb 0.38 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 2wc3 n GLU 341 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2wc3 n TYR 342 N -3.35 0.00 -4.14 -0.32 4.01 0.78 -5.04 117.16 109.10 2wc3 n TYR 342 Ca -0.31 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.09 2wc3 n TYR 342 Cb 1.05 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.05 2wc3 n TYR 342 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2wc3 n ASN 343 N -0.31 -2.62 -4.73 7.72 3.02 -0.73 -4.88 115.26 112.72 2wc3 n ASN 343 Ca 0.00 -1.00 -0.37 0.00 -0.03 0.00 0.00 54.58 53.18 2wc3 n ASN 343 Cb 0.04 -2.88 0.07 0.00 -0.61 0.00 0.00 39.78 36.40 2wc3 n ASN 343 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2wc3 n PRO 344 N -4.42 1.18 0.18 3.52 -0.04 -1.26 -4.90 135.00 129.27 2wc3 n PRO 344 Ca -0.03 0.46 0.03 0.00 -0.04 0.00 0.00 63.50 63.92 2wc3 n PRO 344 Cb 0.54 -2.52 0.34 0.00 -0.04 0.00 0.00 33.50 31.82 2wc3 n PRO 344 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2wc3 h PRO 345 N 0.65 0.00 -3.42 0.54 0.13 -1.90 -3.45 132.00 124.54 2wc3 h PRO 345 Ca -0.51 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.50 2wc3 h PRO 345 Cb 1.34 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.28 2wc3 h PRO 345 CO 0.53 0.40 -0.40 -1.21 -0.23 0.00 0.00 178.00 177.10 2wc3 s GLU 346 N -4.05 0.62 0.00 0.86 2.02 -1.25 -4.84 118.70 112.06 2wc3 s GLU 346 Ca -0.02 -0.45 0.01 0.00 0.02 0.00 0.00 54.97 54.53 2wc3 s GLU 346 Cb 0.14 0.26 -0.01 0.00 0.10 0.00 0.00 34.13 34.62 2wc3 s GLU 346 CO 0.72 -0.17 -0.04 0.08 0.02 0.00 0.00 175.26 175.87 2wc3 s VAL 347 N -1.88 0.30 0.05 2.63 1.01 -0.74 -2.06 120.40 119.71 2wc3 s VAL 347 Ca -0.10 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.67 2wc3 s VAL 347 Cb -0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 2wc3 s VAL 347 CO -0.00 0.00 -0.21 -0.31 0.00 0.00 0.00 175.10 174.58 2wc3 s TYR 348 N -0.29 1.85 -0.46 5.22 1.51 -0.37 -0.47 117.35 124.34 2wc3 s TYR 348 Ca -0.01 -0.38 -0.23 0.00 -1.01 0.00 0.00 57.07 55.44 2wc3 s TYR 348 Cb -0.03 -1.09 0.03 0.00 -0.11 0.00 0.00 41.96 40.76 2wc3 s TYR 348 CO -0.00 0.12 0.78 0.42 -1.11 0.00 0.00 175.55 175.76 2wc3 s ILE 349 N -0.86 4.65 -1.32 2.71 -1.09 -0.92 -0.74 121.20 123.63 2wc3 s ILE 349 Ca 0.08 0.35 0.22 0.00 -2.23 0.00 0.00 60.65 59.07 2wc3 s ILE 349 Cb -0.09 -4.33 -0.10 0.00 -1.58 0.00 0.00 42.46 36.36 2wc3 s ILE 349 CO 0.02 -0.74 1.07 0.35 -1.23 0.00 0.00 174.94 174.41 2wc3 n THR 350 N 6.10 0.00 -3.67 2.92 -2.24 -0.75 -0.62 114.28 116.03 2wc3 n THR 350 Ca 0.02 -0.08 -0.12 0.00 -2.27 0.00 0.00 64.05 61.60 2wc3 n THR 350 Cb 0.48 0.91 -0.08 0.00 -2.10 0.00 0.00 70.33 69.54 2wc3 n THR 350 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2wc3 s GLU 351 N -2.83 0.67 -0.28 -0.78 2.02 -1.24 -4.70 118.70 111.56 2wc3 s GLU 351 Ca 0.12 0.90 -0.17 0.00 0.02 0.00 0.00 54.97 55.85 2wc3 s GLU 351 Cb 0.17 0.27 0.11 0.00 0.10 0.00 0.00 34.13 34.78 2wc3 s GLU 351 CO 0.74 -0.10 0.84 1.21 0.02 0.00 0.00 175.26 177.97 2wc3 s ASN 352 N 0.66 -0.71 0.00 -0.19 3.84 -1.07 -2.36 114.94 115.11 2wc3 s ASN 352 Ca -0.03 1.15 0.00 0.00 0.21 0.00 0.00 52.86 54.20 2wc3 s ASN 352 Cb -0.05 1.28 0.00 0.00 -0.55 0.00 0.00 41.25 41.94 2wc3 s ASN 352 CO -0.04 -0.18 0.00 0.61 -2.79 0.00 0.00 177.10 174.69 2wc3 n GLY 353 N 3.89 -1.39 3.25 1.21 0.00 -1.25 -1.10 105.19 109.81 2wc3 n GLY 353 Ca -0.19 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.26 -0.69 -0.23 4.61 0.00 -1.26 -4.91 121.76 118.01 2wc3 s ALA 354 Ca 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 51.96 51.93 2wc3 s ALA 354 Cb 0.00 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 2wc3 s ALA 354 CO 0.00 -0.39 0.08 0.00 0.00 0.00 0.00 175.76 175.45 2wc3 s ALA 355 N -2.40 3.26 0.25 0.00 0.00 -1.26 -4.40 121.76 117.22 2wc3 s ALA 355 Ca -0.06 -1.03 0.08 0.00 0.00 0.00 0.00 51.96 50.95 2wc3 s ALA 355 Cb -0.01 -2.08 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 2wc3 s ALA 355 CO -0.02 -0.32 -0.11 -0.06 0.00 0.00 0.00 175.76 175.25 2wc3 s PHE 356 N 1.31 1.91 -1.19 0.00 0.08 -1.22 -0.77 117.98 118.10 2wc3 s PHE 356 Ca 0.05 -0.60 -0.20 0.00 0.12 0.00 0.00 56.93 56.30 2wc3 s PHE 356 Cb -0.15 -0.98 -0.04 0.00 -0.57 0.00 0.00 43.02 41.29 2wc3 s PHE 356 CO 0.04 0.37 1.89 -0.25 -0.10 0.00 0.00 175.22 177.17 2wc3 n ASP 357 N -0.51 3.68 -4.77 1.36 8.00 -1.26 -4.57 116.55 118.48 2wc3 n ASP 357 Ca -0.06 -2.78 -0.38 0.00 0.71 0.00 0.00 54.79 52.28 2wc3 n ASP 357 Cb 0.62 -1.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.06 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 5.31 5.95 -0.06 -2.24 1.01 -1.26 -5.04 116.67 120.34 2wc3 s ASP 358 Ca 0.61 2.44 0.04 0.00 0.71 0.00 0.00 52.55 56.35 2wc3 s ASP 358 Cb 0.04 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.36 2wc3 s ASP 358 CO 0.10 -1.08 -0.18 -0.69 0.21 0.00 0.00 175.17 173.53 2wc3 s VAL 359 N -1.47 1.54 -0.28 -1.27 1.01 -1.26 -5.11 120.40 113.56 2wc3 s VAL 359 Ca 0.65 -0.75 -0.26 0.00 0.00 0.00 0.00 61.98 61.63 2wc3 s VAL 359 Cb -0.32 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.72 2wc3 s VAL 359 CO 0.39 0.44 0.90 -0.69 0.00 0.00 0.00 175.10 176.14 2wc3 s VAL 360 N 0.27 4.73 0.59 2.92 1.01 -1.26 -4.21 120.40 124.44 2wc3 s VAL 360 Ca -0.10 1.53 0.01 0.00 0.00 0.00 0.00 61.98 63.42 2wc3 s VAL 360 Cb -0.14 -4.22 0.06 0.00 0.00 0.00 0.00 36.38 32.07 2wc3 s VAL 360 CO 0.04 -0.24 0.82 -0.94 0.00 0.00 0.00 175.10 174.78 2wc3 s SER 361 N 1.49 5.05 0.35 3.32 1.04 0.14 -4.90 113.70 120.20 2wc3 s SER 361 Ca 0.38 -0.14 0.14 0.00 0.48 0.00 0.00 55.95 56.80 2wc3 s SER 361 Cb -0.14 -0.61 1.01 0.00 0.10 0.00 0.00 66.02 66.38 2wc3 s SER 361 CO 0.11 -1.32 1.71 -0.33 0.98 0.00 0.00 173.24 174.39 2wc3 h GLU 362 N -0.06 0.43 0.00 4.02 3.07 -1.97 0.45 114.58 120.53 2wc3 h GLU 362 Ca -0.40 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 2wc3 h GLU 362 Cb 1.29 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 2wc3 h GLU 362 CO 0.49 0.29 0.00 -0.40 -1.40 0.00 0.00 179.01 177.98 2wc3 n ASP 363 N -4.88 0.00 0.00 1.42 5.68 -1.26 -4.83 116.55 112.68 2wc3 n ASP 363 Ca 0.29 -0.23 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 2wc3 n ASP 363 Cb 0.88 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.77 2wc3 n ASP 363 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wc3 n GLY 364 N -0.23 0.53 3.98 6.12 0.00 0.16 -5.03 105.19 110.71 2wc3 n GLY 364 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.32 2.93 -0.41 1.61 1.81 -1.26 -4.83 118.95 118.48 2wc3 s ARG 365 Ca 0.00 -0.92 0.02 0.00 -1.72 0.00 0.00 55.73 53.11 2wc3 s ARG 365 Cb 0.00 -2.69 0.11 0.00 -0.45 0.00 0.00 34.95 31.92 2wc3 s ARG 365 CO 0.00 -0.23 0.15 0.08 -0.68 0.00 0.00 175.30 174.62 2wc3 s VAL 366 N -2.41 2.66 -0.91 3.52 1.01 -1.26 -0.68 120.40 122.33 2wc3 s VAL 366 Ca 0.50 -2.54 -0.23 0.00 0.00 0.00 0.00 61.98 59.72 2wc3 s VAL 366 Cb -0.10 -2.89 0.07 0.00 0.00 0.00 0.00 36.38 33.47 2wc3 s VAL 366 CO 0.34 -0.68 1.28 -1.00 0.00 0.00 0.00 175.10 175.04 2wc3 s HIS 367 N 0.63 2.65 -0.75 5.22 0.09 -1.26 -0.83 115.29 121.04 2wc3 s HIS 367 Ca 0.12 -0.81 0.02 0.00 -0.00 0.00 0.00 55.06 54.39 2wc3 s HIS 367 Cb -0.21 -4.53 0.34 0.00 -0.00 0.00 0.00 32.58 28.17 2wc3 s HIS 367 CO -0.05 -1.81 1.34 -0.40 -0.00 0.00 0.00 174.74 173.81 2wc3 n ASP 368 N 8.24 5.73 0.24 1.40 5.75 -1.26 -4.81 116.55 131.83 2wc3 n ASP 368 Ca 0.21 -3.70 0.11 0.00 -0.01 0.00 0.00 54.79 51.40 2wc3 n ASP 368 Cb 0.50 -0.81 0.69 0.00 -1.03 0.00 0.00 41.12 40.47 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 3.42 0.00 -0.81 0.11 7.50 -1.97 -1.76 115.11 121.60 2wc3 h GLN 369 Ca 0.31 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.43 2wc3 h GLN 369 Cb 0.44 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.93 2wc3 h GLN 369 CO 0.98 0.00 0.36 -2.95 -1.50 0.00 0.00 178.83 175.73 2wc3 h ASN 370 N 0.00 1.09 -0.08 1.46 7.08 -1.99 0.94 115.58 124.07 2wc3 h ASN 370 Ca 0.03 -0.15 -0.14 0.00 -3.08 0.00 0.00 56.30 52.96 2wc3 h ASN 370 Cb 0.13 -0.28 -0.01 0.00 -2.08 0.00 0.00 38.32 36.08 2wc3 h ASN 370 CO -0.00 0.94 -0.41 -0.09 -2.08 0.00 0.00 177.43 175.79 2wc3 h ARG 371 N 1.16 0.61 -0.22 4.14 2.43 -1.73 -1.00 114.38 119.77 2wc3 h ARG 371 Ca 0.27 -0.31 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2wc3 h ARG 371 Cb 0.16 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2wc3 h ARG 371 CO -0.03 0.91 0.13 0.82 -1.51 0.00 0.00 179.97 180.29 2wc3 h ILE 372 N 0.50 1.03 -0.83 1.20 2.04 -0.92 -0.79 117.51 119.73 2wc3 h ILE 372 Ca 0.04 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2wc3 h ILE 372 Cb 0.93 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 2wc3 h ILE 372 CO 0.08 0.05 0.47 0.44 0.00 0.00 0.00 178.15 179.20 2wc3 h ASP 373 N 0.27 1.03 0.22 1.72 3.32 -0.69 0.21 116.42 122.51 2wc3 h ASP 373 Ca 0.09 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2wc3 h ASP 373 Cb -0.01 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 2wc3 h ASP 373 CO -0.04 0.81 -0.15 0.22 -1.72 0.00 0.00 179.24 178.37 2wc3 h TYR 374 N 1.15 -0.38 -0.12 4.55 5.03 -0.95 -1.40 116.97 124.84 2wc3 h TYR 374 Ca 0.30 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.60 2wc3 h TYR 374 Cb 0.00 0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.41 2wc3 h TYR 374 CO 0.00 -0.23 0.05 -0.07 -1.32 0.00 0.00 178.16 176.60 2wc3 h LEU 375 N -0.36 0.17 -0.76 2.82 3.38 -0.65 -2.70 115.31 117.20 2wc3 h LEU 375 Ca -0.02 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 57.87 2wc3 h LEU 375 Cb 0.31 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 2wc3 h LEU 375 CO 0.01 0.26 0.45 0.50 0.09 0.00 0.00 178.44 179.76 2wc3 h LYS 376 N 0.06 0.81 -0.39 1.13 3.64 -0.46 0.45 116.57 121.81 2wc3 h LYS 376 Ca 0.04 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2wc3 h LYS 376 Cb 0.14 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2wc3 h LYS 376 CO -0.00 0.54 -0.03 0.00 -2.27 0.00 0.00 179.45 177.68 2wc3 h ALA 377 N 1.37 1.22 -0.02 5.00 0.00 -1.11 -0.29 119.26 125.42 2wc3 h ALA 377 Ca 0.33 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 2wc3 h ALA 377 Cb 0.17 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wc3 h ALA 377 CO -0.17 0.51 -0.86 0.45 0.00 0.00 0.00 179.25 179.18 2wc3 h HIS 378 N 0.60 0.53 -0.23 0.00 3.86 -0.98 -2.67 115.15 116.26 2wc3 h HIS 378 Ca 0.12 -0.27 -0.04 0.00 -1.16 0.00 0.00 60.37 59.02 2wc3 h HIS 378 Cb 0.42 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 2wc3 h HIS 378 CO 0.02 1.07 -0.02 0.82 0.86 0.00 0.00 177.93 180.68 2wc3 h ILE 379 N 0.22 1.26 -0.92 2.45 2.04 -0.67 -0.74 117.51 121.16 2wc3 h ILE 379 Ca -0.06 -0.94 0.19 0.00 1.00 0.00 0.00 64.86 65.05 2wc3 h ILE 379 Cb 1.47 1.42 -0.11 0.00 -0.74 0.00 0.00 36.82 38.86 2wc3 h ILE 379 CO 0.15 0.29 0.49 1.23 0.00 0.00 0.00 178.15 180.31 2wc3 h GLY 380 N 0.18 1.58 1.27 5.37 0.00 -1.01 0.54 103.07 111.00 2wc3 h GLY 380 Ca 0.06 -0.27 -0.23 0.00 0.00 0.00 0.00 47.33 46.90 2wc3 h GLY 380 CO 0.02 -0.12 -0.86 1.46 0.00 0.00 0.00 176.54 177.04 2wc3 h GLN 381 N 0.61 0.70 -0.68 4.80 1.08 -1.08 -2.33 115.11 118.19 2wc3 h GLN 381 Ca 0.54 -0.62 0.07 0.00 -1.45 0.00 0.00 58.65 57.18 2wc3 h GLN 381 Cb 0.88 0.15 -0.06 0.00 -0.05 0.00 0.00 27.48 28.39 2wc3 h GLN 381 CO -0.42 1.23 0.37 0.00 -0.95 0.00 0.00 178.83 179.06 2wc3 h ALA 382 N 0.58 0.92 -0.98 3.87 0.00 -0.55 -2.28 119.26 120.82 2wc3 h ALA 382 Ca -0.07 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2wc3 h ALA 382 Cb 1.49 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 2wc3 h ALA 382 CO 0.17 0.02 0.65 2.35 0.00 0.00 0.00 179.25 182.44 2wc3 h TRP 383 N 0.66 1.23 -0.79 0.00 7.01 -0.61 -1.78 115.95 121.67 2wc3 h TRP 383 Ca 0.32 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.32 2wc3 h TRP 383 Cb 0.25 -0.42 -0.04 0.00 -2.10 0.00 0.00 29.16 26.85 2wc3 h TRP 383 CO -0.09 0.77 0.41 -0.22 -2.79 0.00 0.00 178.44 176.52 2wc3 h LYS 384 N 1.33 1.11 -0.69 2.65 3.64 -0.89 -1.76 116.57 121.96 2wc3 h LYS 384 Ca 0.36 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 2wc3 h LYS 384 Cb -0.14 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.43 2wc3 h LYS 384 CO -0.08 0.84 0.34 0.00 -2.27 0.00 0.00 179.45 178.28 2wc3 h ALA 385 N 1.21 1.31 -0.53 5.00 0.00 -0.88 -2.20 119.26 123.17 2wc3 h ALA 385 Ca 0.27 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2wc3 h ALA 385 Cb 0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2wc3 h ALA 385 CO -0.04 0.54 0.02 0.82 0.00 0.00 0.00 179.25 180.60 2wc3 h ILE 386 N 0.97 1.26 0.00 0.00 2.04 -0.87 -1.54 117.51 119.37 2wc3 h ILE 386 Ca 0.24 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 2wc3 h ILE 386 Cb 0.08 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2wc3 h ILE 386 CO -0.03 0.38 -0.08 1.56 0.00 0.00 0.00 178.15 179.97 2wc3 h GLN 387 N 0.80 0.00 -0.73 2.37 1.08 -0.83 -1.96 115.11 115.84 2wc3 h GLN 387 Ca 0.15 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 2wc3 h GLN 387 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2wc3 h GLN 387 CO 0.02 0.08 0.00 0.39 -0.95 0.00 0.00 178.83 178.37 2wc3 n GLU 388 N -3.76 3.04 0.00 1.46 1.02 -0.87 -4.94 120.64 116.58 2wc3 n GLU 388 Ca -0.02 -2.76 0.00 0.00 -0.02 0.00 0.00 57.16 54.36 2wc3 n GLU 388 Cb 0.18 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 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 1.54 0.72 3.71 0.62 0.00 -0.74 -5.05 105.19 106.00 2wc3 n GLY 389 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 2.88 -1.47 1.61 1.01 -0.62 -4.88 120.40 116.93 2wc3 s VAL 390 Ca 0.00 0.60 -0.09 0.00 0.00 0.00 0.00 61.98 62.49 2wc3 s VAL 390 Cb 0.00 -3.38 -0.08 0.00 0.00 0.00 0.00 36.38 32.91 2wc3 s VAL 390 CO 0.00 0.04 2.79 -0.81 0.00 0.00 0.00 175.10 177.11 2wc3 n PRO 391 N 4.19 3.35 -2.50 2.72 -0.04 -1.26 -4.43 135.00 137.02 2wc3 n PRO 391 Ca 0.13 -2.03 -0.43 0.00 -0.04 0.00 0.00 63.50 61.13 2wc3 n PRO 391 Cb 0.40 -2.72 -0.02 0.00 -0.04 0.00 0.00 33.50 31.12 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 0.15 4.06 0.00 1.53 2.96 -1.26 -1.80 118.68 124.32 2wc3 s LEU 392 Ca 0.63 1.43 0.22 0.00 -0.22 0.00 0.00 54.13 56.19 2wc3 s LEU 392 Cb 0.16 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.26 2wc3 s LEU 392 CO -0.05 -0.83 1.03 0.29 -1.32 0.00 0.00 176.35 175.46 2wc3 n LYS 393 N 6.75 0.42 -3.56 1.98 4.76 0.38 -4.94 118.16 123.95 2wc3 n LYS 393 Ca 0.13 -0.34 0.04 0.00 -2.87 0.00 0.00 58.31 55.27 2wc3 n LYS 393 Cb 0.46 -1.49 -0.00 0.00 -1.84 0.00 0.00 35.03 32.15 2wc3 n LYS 393 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2wc3 s GLY 394 N -2.81 -0.49 -0.13 0.72 0.00 -1.26 -1.11 107.32 102.24 2wc3 s GLY 394 Ca 0.12 0.94 -0.08 0.00 0.00 0.00 0.00 44.72 45.70 2wc3 s GLY 394 CO 0.75 0.17 0.32 -0.47 0.00 0.00 0.00 173.10 173.87 2wc3 s TYR 395 N -2.07 -0.42 -0.16 1.90 6.14 -0.34 -2.16 117.35 120.25 2wc3 s TYR 395 Ca 0.15 0.96 0.00 0.00 0.64 0.00 0.00 57.07 58.82 2wc3 s TYR 395 Cb 0.07 0.14 0.02 0.00 0.42 0.00 0.00 41.96 42.62 2wc3 s TYR 395 CO -0.06 -0.25 -0.14 -0.06 0.64 0.00 0.00 175.55 175.68 2wc3 s PHE 396 N 1.02 2.23 0.02 4.97 0.40 0.21 -0.63 117.98 126.20 2wc3 s PHE 396 Ca -0.07 -1.29 -0.30 0.00 -0.60 0.00 0.00 56.93 54.67 2wc3 s PHE 396 Cb -0.08 -1.62 -0.05 0.00 0.51 0.00 0.00 43.02 41.79 2wc3 s PHE 396 CO -0.08 -0.69 1.25 0.08 0.70 0.00 0.00 175.22 176.48 2wc3 s VAL 397 N 1.47 3.99 -0.35 -0.44 1.01 -0.63 -2.59 120.40 122.85 2wc3 s VAL 397 Ca 0.04 1.39 -0.20 0.00 0.00 0.00 0.00 61.98 63.21 2wc3 s VAL 397 Cb -0.13 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2wc3 s VAL 397 CO -0.11 0.06 0.62 0.86 0.00 0.00 0.00 175.10 176.54 2wc3 s TRP 398 N 1.58 3.16 0.15 5.22 -0.11 -0.25 -0.17 118.94 128.52 2wc3 s TRP 398 Ca 0.59 0.35 -0.01 0.00 1.22 0.00 0.00 56.10 58.25 2wc3 s TRP 398 Cb -0.29 -3.11 -0.04 0.00 -1.50 0.00 0.00 33.47 28.53 2wc3 s TRP 398 CO 0.27 -0.61 0.08 0.45 -4.62 0.00 0.00 176.95 172.52 2wc3 s SER 399 N 1.78 0.27 0.17 5.86 0.15 -0.42 -3.94 113.70 117.57 2wc3 s SER 399 Ca 0.24 -1.27 -0.14 0.00 0.70 0.00 0.00 55.95 55.48 2wc3 s SER 399 Cb -0.15 0.32 0.13 0.00 -1.71 0.00 0.00 66.02 64.62 2wc3 s SER 399 CO 0.14 -0.76 1.73 0.25 1.20 0.00 0.00 173.24 175.80 2wc3 h LEU 400 N 2.79 0.06 -8.70 3.45 5.85 -1.64 -1.81 115.31 115.31 2wc3 h LEU 400 Ca -0.35 0.07 -0.62 0.00 0.84 0.00 0.00 57.88 57.81 2wc3 h LEU 400 Cb 1.21 0.08 -0.24 0.00 0.37 0.00 0.00 40.66 42.08 2wc3 h LEU 400 CO 0.57 0.07 -0.85 -0.76 -0.34 0.00 0.00 178.44 177.13 2wc3 s LEU 401 N -10.40 2.23 0.37 2.25 1.43 -1.26 -1.79 118.68 111.51 2wc3 s LEU 401 Ca -0.13 -0.63 -0.26 0.00 -1.03 0.00 0.00 54.13 52.08 2wc3 s LEU 401 Cb 0.14 -1.07 -0.12 0.00 0.03 0.00 0.00 46.19 45.17 2wc3 s LEU 401 CO 0.72 0.16 1.13 0.47 0.23 0.00 0.00 176.35 179.06 2wc3 n ASP 402 N 1.45 1.89 -1.38 2.29 8.00 -0.86 -3.96 116.55 123.98 2wc3 n ASP 402 Ca -0.18 1.13 -0.02 0.00 0.71 0.00 0.00 54.79 56.43 2wc3 n ASP 402 Cb 0.53 -1.40 0.01 0.00 -0.02 0.00 0.00 41.12 40.24 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 0.69 -0.50 -4.58 -2.24 6.94 -1.26 -4.79 115.26 109.52 2wc3 n ASN 403 Ca 0.08 -1.34 -0.41 0.00 -0.02 0.00 0.00 54.58 52.88 2wc3 n ASN 403 Cb 0.37 0.83 -0.03 0.00 -2.36 0.00 0.00 39.78 38.59 2wc3 n ASN 403 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2wc3 s PHE 404 N -7.50 2.00 -1.24 -2.53 5.36 -0.72 -4.60 117.98 108.74 2wc3 s PHE 404 Ca 0.03 0.63 -0.05 0.00 -0.96 0.00 0.00 56.93 56.59 2wc3 s PHE 404 Cb -0.01 -4.22 0.18 0.00 -0.34 0.00 0.00 43.02 38.62 2wc3 s PHE 404 CO 0.03 -2.35 2.18 -1.91 -1.46 0.00 0.00 175.22 171.71 2wc3 n GLU 405 N 8.62 4.71 0.00 10.12 4.07 0.09 -4.66 120.64 143.59 2wc3 n GLU 405 Ca 0.18 -3.78 0.00 0.00 -0.06 0.00 0.00 57.16 53.50 2wc3 n GLU 405 Cb 0.49 -2.62 0.00 0.00 -0.06 0.00 0.00 31.44 29.25 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 1.49 0.00 0.21 4.31 7.02 -1.26 -0.58 117.44 128.63 2wc3 n TRP 406 Ca 0.56 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 57.08 2wc3 n TRP 406 Cb 0.26 0.00 0.18 0.00 -2.42 0.00 0.00 31.31 29.33 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 9.32 1.28 1.45 6.99 0.00 -1.26 -0.10 120.51 138.19 2wc3 n ALA 407 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2wc3 n ALA 407 Cb 0.00 -1.13 0.59 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.59 0.90 0.00 0.00 -0.58 0.26 -0.79 120.64 118.83 2wc3 n GLU 408 Ca 0.01 -0.37 0.00 0.00 -0.42 0.00 0.00 57.16 56.38 2wc3 n GLU 408 Cb 0.08 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 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 1.25 1.50 0.03 0.62 0.00 0.86 -2.96 105.19 106.48 2wc3 n GLY 409 Ca 0.16 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 14.00 0.00 0.29 1.61 4.01 -1.26 -0.73 117.16 135.08 2wc3 n TYR 410 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.85 2wc3 n TYR 410 Cb 0.00 -0.32 0.50 0.00 -0.31 0.00 0.00 39.34 39.21 2wc3 n TYR 410 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2wc3 n SER 411 N -1.28 0.57 -4.17 7.72 3.41 -1.16 -4.59 113.62 114.12 2wc3 n SER 411 Ca 0.11 0.69 -0.34 0.00 -0.26 0.00 0.00 58.87 59.08 2wc3 n SER 411 Cb 0.29 -0.79 -0.15 0.00 -0.26 0.00 0.00 64.21 63.29 2wc3 n SER 411 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2wc3 s LYS 412 N -3.38 3.07 -0.36 4.33 -0.14 -1.26 -5.04 119.74 116.96 2wc3 s LYS 412 Ca 0.01 -0.79 -0.09 0.00 -1.36 0.00 0.00 55.97 53.75 2wc3 s LYS 412 Cb 0.08 -2.69 0.04 0.00 -1.68 0.00 0.00 37.83 33.58 2wc3 s LYS 412 CO 0.29 -0.22 0.17 1.03 -0.76 0.00 0.00 175.35 175.86 2wc3 s ARG 413 N 1.33 2.69 0.00 1.68 0.52 -1.26 -4.57 118.95 119.34 2wc3 s ARG 413 Ca 0.05 -1.19 0.21 0.00 -0.52 0.00 0.00 55.73 54.28 2wc3 s ARG 413 Cb -0.13 -3.61 0.15 0.00 0.52 0.00 0.00 34.95 31.88 2wc3 s ARG 413 CO -0.10 -0.72 1.14 1.19 0.02 0.00 0.00 175.30 176.83 2wc3 n PHE 414 N 4.90 0.00 -1.80 -0.53 3.01 -1.26 -3.39 117.46 118.39 2wc3 n PHE 414 Ca -0.12 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.02 2wc3 n PHE 414 Cb 0.45 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.96 2wc3 n PHE 414 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2wc3 s GLY 415 N -1.76 2.07 0.00 1.37 0.00 -1.25 -1.31 107.32 106.45 2wc3 s GLY 415 Ca 0.24 0.44 0.27 0.00 0.00 0.00 0.00 44.72 45.67 2wc3 s GLY 415 CO 0.27 0.78 1.62 0.29 0.00 0.00 0.00 173.10 176.06 2wc3 n ILE 416 N -2.42 0.00 -4.25 0.90 -5.35 -0.68 -4.77 119.36 102.78 2wc3 n ILE 416 Ca 0.10 -0.23 -0.24 0.00 -0.27 0.00 0.00 62.75 62.11 2wc3 n ILE 416 Cb 0.52 0.57 -0.17 0.00 -1.74 0.00 0.00 39.64 38.82 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 -2.20 0.94 0.20 7.28 1.01 -0.74 -0.85 120.40 126.04 2wc3 s VAL 417 Ca 0.32 -0.32 -0.28 0.00 0.00 0.00 0.00 61.98 61.70 2wc3 s VAL 417 Cb 0.20 -0.91 -0.08 0.00 0.00 0.00 0.00 36.38 35.58 2wc3 s VAL 417 CO 0.41 0.33 0.87 -0.47 0.00 0.00 0.00 175.10 176.24 2wc3 s TYR 418 N 1.09 3.94 -0.19 5.22 6.14 0.22 -2.03 117.35 131.75 2wc3 s TYR 418 Ca -0.07 1.79 -0.01 0.00 0.64 0.00 0.00 57.07 59.42 2wc3 s TYR 418 Cb -0.14 -2.90 0.01 0.00 0.42 0.00 0.00 41.96 39.35 2wc3 s TYR 418 CO -0.01 0.46 -0.14 0.08 0.64 0.00 0.00 175.55 176.58 2wc3 s VAL 419 N -1.07 2.59 -0.41 3.14 1.01 -1.26 -0.50 120.40 123.90 2wc3 s VAL 419 Ca 0.39 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 61.36 2wc3 s VAL 419 Cb -0.25 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.03 2wc3 s VAL 419 CO 0.29 0.50 0.86 -0.62 0.00 0.00 0.00 175.10 176.13 2wc3 s ASP 420 N 1.27 6.53 0.39 3.32 -1.08 -0.54 -4.94 116.67 121.63 2wc3 s ASP 420 Ca 0.03 0.23 0.27 0.00 -0.52 0.00 0.00 52.55 52.57 2wc3 s ASP 420 Cb -0.14 -2.42 0.88 0.00 -1.46 0.00 0.00 42.92 39.78 2wc3 s ASP 420 CO -0.08 -0.89 1.78 1.88 0.52 0.00 0.00 175.17 178.38 2wc3 h TYR 421 N 8.77 0.00 0.00 -5.34 0.05 -1.95 0.26 116.97 118.76 2wc3 h TYR 421 Ca -0.24 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.45 2wc3 h TYR 421 Cb 1.08 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.81 2wc3 h TYR 421 CO 0.83 0.00 -0.41 0.66 -1.05 0.00 0.00 178.16 178.19 2wc3 h SER 422 N 0.00 0.00 0.00 3.88 4.64 -1.98 -3.34 113.55 116.75 2wc3 h SER 422 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wc3 h SER 422 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2wc3 h SER 422 CO 0.00 0.41 0.00 0.35 -0.87 0.00 0.00 176.83 176.72 2wc3 n THR 423 N -3.61 0.00 -1.05 2.95 -2.24 -1.06 -5.00 114.28 104.27 2wc3 n THR 423 Ca -0.00 -0.42 -0.02 0.00 -2.27 0.00 0.00 64.05 61.34 2wc3 n THR 423 Cb 0.51 1.07 -0.01 0.00 -2.10 0.00 0.00 70.33 69.81 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 -0.48 -1.72 -2.14 -0.78 1.13 0.88 -4.96 117.38 109.30 2wc3 n GLN 424 Ca 0.00 0.51 -0.40 0.00 -1.94 0.00 0.00 57.00 55.17 2wc3 n GLN 424 Cb 0.02 -4.83 -0.01 0.00 0.11 0.00 0.00 30.24 25.53 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 -1.93 4.14 -0.09 -1.09 1.02 -1.22 -4.77 119.74 115.81 2wc3 s LYS 425 Ca 0.00 2.10 -0.12 0.00 0.02 0.00 0.00 55.97 57.97 2wc3 s LYS 425 Cb 0.00 -2.87 -0.05 0.00 -0.52 0.00 0.00 37.83 34.40 2wc3 s LYS 425 CO 0.00 -0.33 0.28 1.03 -0.92 0.00 0.00 175.35 175.41 2wc3 s ARG 426 N -2.06 3.83 -0.19 1.68 3.00 -1.26 -1.46 118.95 122.48 2wc3 s ARG 426 Ca 0.54 0.12 0.01 0.00 0.00 0.00 0.00 55.73 56.40 2wc3 s ARG 426 Cb -0.37 -3.26 0.04 0.00 0.00 0.00 0.00 34.95 31.35 2wc3 s ARG 426 CO 0.48 0.61 -0.12 0.42 0.00 0.00 0.00 175.30 176.69 2wc3 s ILE 427 N -0.66 1.67 0.08 1.52 1.01 0.35 -4.96 121.20 120.21 2wc3 s ILE 427 Ca 0.18 -0.92 -0.31 0.00 0.00 0.00 0.00 60.65 59.60 2wc3 s ILE 427 Cb -0.14 -1.68 -0.08 0.00 0.01 0.00 0.00 42.46 40.56 2wc3 s ILE 427 CO 0.07 0.27 1.62 -0.69 0.00 0.00 0.00 174.94 176.22 2wc3 s VAL 428 N 1.40 3.03 0.67 2.92 1.01 -1.26 0.70 120.40 128.87 2wc3 s VAL 428 Ca 0.01 0.52 -0.11 0.00 0.00 0.00 0.00 61.98 62.40 2wc3 s VAL 428 Cb -0.15 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 2wc3 s VAL 428 CO -0.09 0.00 1.06 -0.54 0.00 0.00 0.00 175.10 175.54 2wc3 s LYS 429 N 2.43 3.19 0.45 2.72 1.02 -0.03 -4.59 119.74 124.93 2wc3 s LYS 429 Ca 0.73 0.61 0.23 0.00 0.02 0.00 0.00 55.97 57.56 2wc3 s LYS 429 Cb -0.40 -2.05 1.22 0.00 -0.52 0.00 0.00 37.83 36.08 2wc3 s LYS 429 CO 0.32 -0.83 1.82 -0.44 -0.92 0.00 0.00 175.35 175.30 2wc3 h ASP 430 N -0.51 0.30 -0.19 2.83 5.19 -1.28 0.49 116.42 123.25 2wc3 h ASP 430 Ca -0.45 0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 55.98 2wc3 h ASP 430 Cb 1.22 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.71 2wc3 h ASP 430 CO 0.63 0.09 0.04 0.77 -3.12 0.00 0.00 179.24 177.65 2wc3 h SER 431 N 0.28 0.37 -0.25 6.45 4.64 -1.82 -1.06 113.55 122.16 2wc3 h SER 431 Ca 0.52 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.75 2wc3 h SER 431 Cb 1.52 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.51 2wc3 h SER 431 CO -0.17 0.40 -0.02 1.23 -0.87 0.00 0.00 176.83 177.41 2wc3 h GLY 432 N 0.66 0.49 0.97 -0.77 0.00 -0.92 0.28 103.07 103.78 2wc3 h GLY 432 Ca 0.09 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2wc3 h GLY 432 CO 0.00 0.34 0.25 -0.97 0.00 0.00 0.00 176.54 176.16 2wc3 h TYR 433 N 0.22 0.62 -0.22 5.60 0.05 -1.38 0.13 116.97 121.99 2wc3 h TYR 433 Ca 0.07 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.85 2wc3 h TYR 433 Cb 0.44 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 2wc3 h TYR 433 CO 0.04 0.47 0.10 2.35 -1.05 0.00 0.00 178.16 180.07 2wc3 h TRP 434 N 0.59 0.19 -0.82 4.88 7.01 -1.10 -2.58 115.95 124.12 2wc3 h TRP 434 Ca 0.16 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.15 2wc3 h TRP 434 Cb 0.05 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.02 2wc3 h TRP 434 CO -0.02 0.10 0.44 -0.92 -2.79 0.00 0.00 178.44 175.25 2wc3 h TYR 435 N 0.22 1.13 -0.71 2.65 3.20 0.05 -1.76 116.97 121.75 2wc3 h TYR 435 Ca 0.09 -0.03 0.15 0.00 3.14 0.00 0.00 58.73 62.08 2wc3 h TYR 435 Cb 0.03 -0.36 -0.11 0.00 1.54 0.00 0.00 36.73 37.83 2wc3 h TYR 435 CO -0.10 0.79 0.15 1.03 -1.64 0.00 0.00 178.16 178.39 2wc3 h SER 436 N 1.15 -0.03 -0.19 -2.11 0.87 -0.62 -1.53 113.55 111.09 2wc3 h SER 436 Ca 0.29 0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.97 2wc3 h SER 436 Cb 0.04 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2wc3 h SER 436 CO -0.04 -0.05 0.03 0.78 -0.53 0.00 0.00 176.83 177.02 2wc3 h ASN 437 N 0.24 0.31 -0.74 6.23 2.35 -1.01 -1.31 115.58 121.65 2wc3 h ASN 437 Ca 0.40 -0.26 0.17 0.00 -0.55 0.00 0.00 56.30 56.05 2wc3 h ASN 437 Cb 0.67 -0.08 -0.12 0.00 0.05 0.00 0.00 38.32 38.84 2wc3 h ASN 437 CO -0.51 0.49 0.10 0.58 -1.65 0.00 0.00 177.43 176.44 2wc3 h VAL 438 N 0.11 0.43 -0.38 2.81 2.07 -0.86 0.11 116.25 120.54 2wc3 h VAL 438 Ca 0.06 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 2wc3 h VAL 438 Cb 0.31 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2wc3 h VAL 438 CO 0.00 0.03 0.04 0.58 0.02 0.00 0.00 177.57 178.25 2wc3 h VAL 439 N 0.19 1.25 -0.69 2.57 2.07 -1.01 0.11 116.25 120.73 2wc3 h VAL 439 Ca 0.41 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 2wc3 h VAL 439 Cb 0.73 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 2wc3 h VAL 439 CO -0.58 0.31 0.31 0.50 0.02 0.00 0.00 177.57 178.14 2wc3 h LYS 440 N 0.49 0.99 -0.41 1.57 3.64 -0.58 -1.31 116.57 120.97 2wc3 h LYS 440 Ca 0.11 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2wc3 h LYS 440 Cb 0.41 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2wc3 h LYS 440 CO 0.01 0.78 0.00 0.09 -2.27 0.00 0.00 179.45 178.06 2wc3 n ASN 441 N -4.32 2.28 -4.11 4.20 3.02 0.32 -4.94 115.26 111.69 2wc3 n ASN 441 Ca 0.06 -1.97 -0.30 0.00 -0.03 0.00 0.00 54.58 52.34 2wc3 n ASN 441 Cb 0.15 -0.27 -0.08 0.00 -0.61 0.00 0.00 39.78 38.97 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 0.74 0.04 0.00 6.41 5.15 -0.14 -4.72 115.26 122.75 2wc3 n ASN 442 Ca 0.15 -1.11 0.00 0.00 -0.60 0.00 0.00 54.58 53.02 2wc3 n ASN 442 Cb 0.37 -1.39 0.00 0.00 -0.53 0.00 0.00 39.78 38.23 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 -1.93 0.52 3.85 8.20 0.00 0.20 -0.89 105.19 115.13 2wc3 n GLY 443 Ca -0.16 -1.61 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 2wc3 n GLY 443 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wc3 s LEU 444 N 0.00 4.44 0.00 0.99 1.43 0.05 -4.46 118.68 121.12 2wc3 s LEU 444 Ca 0.00 0.88 0.15 0.00 -1.03 0.00 0.00 54.13 54.14 2wc3 s LEU 444 Cb 0.00 -2.64 0.12 0.00 0.03 0.00 0.00 46.19 43.70 2wc3 s LEU 444 CO 0.00 0.29 0.98 1.21 0.23 0.00 0.00 176.35 179.07