#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wc3 s LYS 4 N 0.00 0.85 -0.01 1.45 1.02 0.24 -4.99 119.74 118.31 2wc3 s LYS 4 Ca 0.00 -1.31 -0.18 0.00 0.02 0.00 0.00 55.97 54.50 2wc3 s LYS 4 Cb 0.00 -2.08 -0.06 0.00 -0.52 0.00 0.00 37.83 35.17 2wc3 s LYS 4 CO 0.00 -1.03 0.51 0.15 -0.92 0.00 0.00 175.35 174.06 2wc3 s LYS 5 N 1.31 4.18 0.51 1.68 1.02 -1.26 -0.52 119.74 126.65 2wc3 s LYS 5 Ca 0.12 0.58 -0.01 0.00 0.02 0.00 0.00 55.97 56.68 2wc3 s LYS 5 Cb -0.19 -3.30 0.01 0.00 -0.52 0.00 0.00 37.83 33.83 2wc3 s LYS 5 CO -0.18 0.48 0.75 -0.06 -0.92 0.00 0.00 175.35 175.42 2wc3 s PHE 6 N -0.49 3.13 1.00 3.18 0.40 -0.85 -5.02 117.98 119.34 2wc3 s PHE 6 Ca 0.27 0.27 -0.12 0.00 -0.60 0.00 0.00 56.93 56.75 2wc3 s PHE 6 Cb -0.17 -2.53 0.16 0.00 0.51 0.00 0.00 43.02 40.98 2wc3 s PHE 6 CO 0.15 -0.61 0.91 -0.35 0.70 0.00 0.00 175.22 176.02 2wc3 n PRO 7 N -2.27 -1.02 -2.43 0.24 -0.04 -1.26 -4.93 135.00 123.29 2wc3 n PRO 7 Ca 0.04 -0.25 -0.41 0.00 -0.04 0.00 0.00 63.50 62.84 2wc3 n PRO 7 Cb 0.58 -2.19 -0.04 0.00 -0.04 0.00 0.00 33.50 31.81 2wc3 n PRO 7 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2wc3 s GLU 8 N -4.32 4.58 0.00 0.54 4.04 -1.26 -2.90 118.70 119.38 2wc3 s GLU 8 Ca 0.65 1.85 0.00 0.00 0.04 0.00 0.00 54.97 57.51 2wc3 s GLU 8 Cb -0.23 -3.19 0.00 0.00 0.02 0.00 0.00 34.13 30.73 2wc3 s GLU 8 CO 0.62 0.11 0.00 0.41 -1.84 0.00 0.00 175.26 174.56 2wc3 n GLY 9 N 1.38 0.76 3.75 -3.83 0.00 -1.26 -5.03 105.19 100.96 2wc3 n GLY 9 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2wc3 n GLY 9 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wc3 s PHE 10 N -2.75 2.96 -0.27 1.61 5.36 -1.14 -4.98 117.98 118.77 2wc3 s PHE 10 Ca 0.00 1.03 -0.10 0.00 -0.96 0.00 0.00 56.93 56.89 2wc3 s PHE 10 Cb 0.00 -3.85 -0.05 0.00 -0.34 0.00 0.00 43.02 38.78 2wc3 s PHE 10 CO 0.00 -2.75 0.17 -1.17 -1.46 0.00 0.00 175.22 170.00 2wc3 s LEU 11 N -0.57 3.93 -0.27 6.12 2.96 -0.69 -4.98 118.68 125.19 2wc3 s LEU 11 Ca 0.59 -0.03 -0.07 0.00 -0.22 0.00 0.00 54.13 54.40 2wc3 s LEU 11 Cb -0.43 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.16 2wc3 s LEU 11 CO 0.45 -0.03 0.08 0.26 -1.32 0.00 0.00 176.35 175.79 2wc3 s TRP 12 N 1.64 3.10 0.40 5.38 0.52 -1.26 -0.91 118.94 127.80 2wc3 s TRP 12 Ca 0.07 -0.60 0.04 0.00 0.02 0.00 0.00 56.10 55.62 2wc3 s TRP 12 Cb -0.16 -2.25 -0.04 0.00 -1.15 0.00 0.00 33.47 29.87 2wc3 s TRP 12 CO 0.09 -0.43 0.06 0.20 0.02 0.00 0.00 176.95 176.89 2wc3 s GLY 13 N 1.58 2.49 0.07 0.98 0.00 -0.01 -1.23 107.32 111.20 2wc3 s GLY 13 Ca 0.05 -1.51 0.04 0.00 0.00 0.00 0.00 44.72 43.30 2wc3 s GLY 13 CO 0.03 -1.94 -0.11 -1.34 0.00 0.00 0.00 173.10 169.74 2wc3 s VAL 14 N -3.10 0.88 0.09 1.40 -7.23 -0.86 -2.02 120.40 109.56 2wc3 s VAL 14 Ca 0.26 -1.28 0.10 0.00 -1.81 0.00 0.00 61.98 59.25 2wc3 s VAL 14 Cb 0.06 -0.95 -0.03 0.00 0.56 0.00 0.00 36.38 36.01 2wc3 s VAL 14 CO 0.13 -0.34 -0.27 0.00 -0.31 0.00 0.00 175.10 174.32 2wc3 s ALA 15 N -1.51 2.31 0.28 1.32 0.00 -0.33 -0.87 121.76 122.95 2wc3 s ALA 15 Ca -0.04 -1.37 0.06 0.00 0.00 0.00 0.00 51.96 50.61 2wc3 s ALA 15 Cb -0.09 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2wc3 s ALA 15 CO 0.01 0.53 0.20 0.25 0.00 0.00 0.00 175.76 176.76 2wc3 n THR 16 N 1.32 0.00 -3.84 0.00 -2.24 -0.05 -2.78 114.28 106.69 2wc3 n THR 16 Ca -0.17 -1.93 -0.12 0.00 -2.27 0.00 0.00 64.05 59.55 2wc3 n THR 16 Cb 0.52 0.92 -0.13 0.00 -2.10 0.00 0.00 70.33 69.54 2wc3 n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wc3 s ALA 17 N -3.04 -0.25 0.13 6.98 0.00 -1.26 -3.98 121.76 120.33 2wc3 s ALA 17 Ca 0.29 0.22 -0.30 0.00 0.00 0.00 0.00 51.96 52.17 2wc3 s ALA 17 Cb 0.01 -0.14 -0.07 0.00 0.00 0.00 0.00 23.12 22.93 2wc3 s ALA 17 CO 0.20 -0.07 1.57 0.66 0.00 0.00 0.00 175.76 178.13 2wc3 h SER 18 N 5.77 -1.45 0.45 0.00 4.64 -1.90 -1.19 113.55 119.87 2wc3 h SER 18 Ca -0.26 0.19 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 2wc3 h SER 18 Cb 1.20 0.59 -0.01 0.00 -0.31 0.00 0.00 62.40 63.87 2wc3 h SER 18 CO 0.44 -0.44 -0.22 0.22 -0.87 0.00 0.00 176.83 175.96 2wc3 h TYR 19 N -0.50 0.00 0.00 4.77 3.20 -1.92 -1.01 116.97 121.52 2wc3 h TYR 19 Ca 0.07 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 2wc3 h TYR 19 Cb 0.64 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 2wc3 h TYR 19 CO -0.53 0.22 -0.31 1.96 -1.64 0.00 0.00 178.16 177.86 2wc3 h GLN 20 N 0.00 0.00 0.00 1.82 4.20 -1.47 -3.38 115.11 116.28 2wc3 h GLN 20 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wc3 h GLN 20 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2wc3 h GLN 20 CO 0.03 0.31 -0.79 0.44 -0.67 0.00 0.00 178.83 178.14 2wc3 n ILE 21 N -3.50 0.00 0.09 2.54 -5.35 -1.05 -0.93 119.36 111.15 2wc3 n ILE 21 Ca -0.00 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.38 2wc3 n ILE 21 Cb 0.46 0.03 -0.06 0.00 -1.74 0.00 0.00 39.64 38.33 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 -0.29 0.00 6.28 5.08 -1.37 -1.29 114.58 122.99 2wc3 h GLU 22 Ca 0.00 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2wc3 h GLU 22 Cb 0.24 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2wc3 h GLU 22 CO 0.00 0.05 -0.04 0.41 -1.00 0.00 0.00 179.01 178.44 2wc3 n GLY 23 N 0.59 -1.81 4.16 -3.84 0.00 -1.20 -1.53 105.19 101.56 2wc3 n GLY 23 Ca -0.07 -1.31 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.68 -1.73 0.27 1.61 7.64 -0.05 -4.74 113.62 115.95 2wc3 n SER 24 Ca 0.00 -1.26 0.15 0.00 1.01 0.00 0.00 58.87 58.77 2wc3 n SER 24 Cb 0.05 -1.80 0.78 0.00 -1.01 0.00 0.00 64.21 62.22 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 -2.20 0.00 -0.40 1.43 0.13 -1.82 -2.20 132.00 126.95 2wc3 h PRO 25 Ca -0.68 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 2wc3 h PRO 25 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 2wc3 h PRO 25 CO 0.61 0.09 0.00 1.28 -0.23 0.00 0.00 178.00 179.74 2wc3 n LEU 26 N -3.45 3.10 -4.77 1.56 4.32 -1.26 -4.66 117.00 111.84 2wc3 n LEU 26 Ca -0.01 -1.83 -0.40 0.00 -0.02 0.00 0.00 56.01 53.75 2wc3 n LEU 26 Cb 0.24 -0.26 -0.01 0.00 -1.62 0.00 0.00 43.42 41.76 2wc3 n LEU 26 CO 0.28 0.75 1.00 0.00 -1.22 0.00 0.00 177.39 178.20 2wc3 s ALA 27 N -1.05 3.38 -1.35 -1.18 0.00 -0.83 -4.07 121.76 116.66 2wc3 s ALA 27 Ca 0.29 1.30 -0.04 0.00 0.00 0.00 0.00 51.96 53.52 2wc3 s ALA 27 Cb 0.16 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.79 2wc3 s ALA 27 CO 0.21 -0.82 0.85 -0.25 0.00 0.00 0.00 175.76 175.76 2wc3 n ASP 28 N 0.38 -2.58 0.00 0.00 8.00 -1.26 -2.22 116.55 118.87 2wc3 n ASP 28 Ca 0.02 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.76 2wc3 n ASP 28 Cb 0.42 -4.25 0.00 0.00 -0.02 0.00 0.00 41.12 37.27 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 -1.58 0.96 3.68 0.44 0.00 -1.26 -4.59 105.19 102.83 2wc3 n GLY 29 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.00 0.90 -2.16 4.61 0.00 -0.94 -4.75 120.51 118.16 2wc3 n ALA 30 Ca 0.00 0.12 -0.29 0.00 0.00 0.00 0.00 53.44 53.27 2wc3 n ALA 30 Cb 0.00 -2.23 -0.02 0.00 0.00 0.00 0.00 19.45 17.21 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 -0.94 1.77 0.53 0.00 0.00 0.11 -4.79 107.32 104.01 2wc3 s GLY 31 Ca 0.70 -0.27 -0.22 0.00 0.00 0.00 0.00 44.72 44.93 2wc3 s GLY 31 CO 0.51 -0.08 1.38 1.06 0.00 0.00 0.00 173.10 175.97 2wc3 s MET 32 N -4.29 3.25 0.39 2.90 -1.94 -1.26 -4.61 119.30 113.74 2wc3 s MET 32 Ca 0.51 2.30 0.08 0.00 -1.71 0.00 0.00 55.69 56.86 2wc3 s MET 32 Cb -0.10 -2.34 -0.02 0.00 2.01 0.00 0.00 34.83 34.38 2wc3 s MET 32 CO 0.38 -1.13 0.39 -1.54 -0.01 0.00 0.00 175.02 173.12 2wc3 s SER 33 N -0.83 5.25 0.53 3.03 1.04 -1.26 -1.10 113.70 120.36 2wc3 s SER 33 Ca 0.69 -0.61 0.30 0.00 0.48 0.00 0.00 55.95 56.81 2wc3 s SER 33 Cb -0.42 -0.71 1.48 0.00 0.10 0.00 0.00 66.02 66.47 2wc3 s SER 33 CO 0.50 -0.59 2.06 0.16 0.98 0.00 0.00 173.24 176.35 2wc3 h ILE 34 N 1.01 0.43 0.00 -1.02 3.07 -1.19 -2.32 117.51 117.50 2wc3 h ILE 34 Ca -0.42 -0.55 -0.20 0.00 1.55 0.00 0.00 64.86 65.24 2wc3 h ILE 34 Cb 1.27 1.38 -0.03 0.00 -0.27 0.00 0.00 36.82 39.17 2wc3 h ILE 34 CO 0.55 0.10 -0.96 -0.50 -1.05 0.00 0.00 178.15 176.30 2wc3 h TRP 35 N 0.00 0.02 0.44 0.16 4.06 -1.84 0.11 115.95 118.90 2wc3 h TRP 35 Ca -0.00 -0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.91 2wc3 h TRP 35 Cb 0.37 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.54 2wc3 h TRP 35 CO 0.00 0.96 -0.21 1.25 -3.56 0.00 0.00 178.44 176.88 2wc3 h HIS 36 N 0.01 -0.54 -0.47 0.49 2.76 -1.83 -1.42 115.15 114.15 2wc3 h HIS 36 Ca -0.01 -0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.00 2wc3 h HIS 36 Cb 1.69 0.18 -0.01 0.00 1.55 0.00 0.00 27.41 30.82 2wc3 h HIS 36 CO 0.00 -0.28 -0.25 1.79 -1.30 0.00 0.00 177.93 177.90 2wc3 h THR 37 N -0.70 1.27 -0.84 6.26 1.35 -1.48 -2.12 112.91 116.65 2wc3 h THR 37 Ca -0.06 -1.42 -0.01 0.00 -0.55 0.00 0.00 66.41 64.38 2wc3 h THR 37 Cb 0.51 1.17 -0.04 0.00 -1.73 0.00 0.00 68.15 68.06 2wc3 h THR 37 CO 0.10 0.49 0.50 0.15 -0.25 0.00 0.00 175.52 176.51 2wc3 h PHE 38 N 0.84 1.10 0.00 4.73 3.57 -0.81 -2.78 116.94 123.59 2wc3 h PHE 38 Ca 0.10 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.51 2wc3 h PHE 38 Cb 0.83 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 2wc3 h PHE 38 CO 0.05 0.74 -0.41 0.66 -2.23 0.00 0.00 178.31 177.12 2wc3 h SER 39 N 1.16 0.00 -0.20 0.41 4.64 -1.14 -2.95 113.55 115.46 2wc3 h SER 39 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2wc3 h SER 39 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2wc3 h SER 39 CO -0.06 0.41 0.00 1.41 -0.87 0.00 0.00 176.83 177.73 2wc3 n HIS 40 N -3.20 0.39 -3.66 4.77 8.25 -0.81 -4.70 115.22 116.26 2wc3 n HIS 40 Ca 0.02 -0.17 -0.38 0.00 -0.26 0.00 0.00 57.72 56.94 2wc3 n HIS 40 Cb 0.70 -0.07 -0.12 0.00 1.12 0.00 0.00 29.99 31.62 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 -1.65 4.79 0.22 1.59 2.01 -1.11 -5.05 115.64 116.45 2wc3 s THR 41 Ca 0.15 -0.11 -0.31 0.00 0.31 0.00 0.00 61.69 61.73 2wc3 s THR 41 Cb 0.09 -3.32 -0.15 0.00 0.01 0.00 0.00 72.50 69.14 2wc3 s THR 41 CO 0.08 0.22 1.19 -2.65 -0.69 0.00 0.00 174.62 172.77 2wc3 n PRO 42 N 5.00 1.45 0.00 4.92 -0.02 -1.26 -3.00 135.00 142.08 2wc3 n PRO 42 Ca -0.15 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2wc3 n PRO 42 Cb 0.51 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 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 1.82 0.34 0.09 -1.23 0.00 -1.26 -4.93 105.19 100.01 2wc3 n GLY 43 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 2wc3 n GLY 43 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wc3 n ASN 44 N 0.00 0.67 -4.12 1.61 3.02 -1.16 -4.91 115.26 110.36 2wc3 n ASN 44 Ca 0.00 0.32 -0.26 0.00 -0.03 0.00 0.00 54.58 54.61 2wc3 n ASN 44 Cb 0.00 0.20 -0.16 0.00 -0.61 0.00 0.00 39.78 39.21 2wc3 n ASN 44 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wc3 s VAL 45 N -2.59 1.42 0.08 2.41 1.01 -1.26 -4.79 120.40 116.67 2wc3 s VAL 45 Ca -0.06 -0.70 -0.37 0.00 0.00 0.00 0.00 61.98 60.86 2wc3 s VAL 45 Cb 0.08 -1.23 -0.18 0.00 0.00 0.00 0.00 36.38 35.05 2wc3 s VAL 45 CO 0.83 0.41 1.16 1.17 0.00 0.00 0.00 175.10 178.66 2wc3 n LYS 46 N 3.24 0.67 -1.16 2.72 3.00 0.33 -1.15 118.16 125.80 2wc3 n LYS 46 Ca -0.19 0.24 -0.06 0.00 -0.00 0.00 0.00 58.31 58.31 2wc3 n LYS 46 Cb 0.53 -1.76 -0.02 0.00 0.00 0.00 0.00 35.03 33.77 2wc3 n LYS 46 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2wc3 n ASN 47 N 2.03 -5.70 -1.09 3.14 3.02 -1.26 -1.74 115.26 113.66 2wc3 n ASN 47 Ca 0.18 0.14 -0.13 0.00 -0.03 0.00 0.00 54.58 54.74 2wc3 n ASN 47 Cb 0.17 -3.69 -0.04 0.00 -0.61 0.00 0.00 39.78 35.60 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 0.39 1.03 3.76 7.41 0.00 -0.30 -4.99 105.19 112.50 2wc3 n GLY 48 Ca -0.06 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 2wc3 n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wc3 s ASP 49 N -2.77 5.98 0.46 1.61 1.01 -0.71 -5.01 116.67 117.24 2wc3 s ASP 49 Ca 0.00 2.54 0.03 0.00 0.71 0.00 0.00 52.55 55.83 2wc3 s ASP 49 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 2wc3 s ASP 49 CO 0.00 -1.06 0.06 0.42 0.21 0.00 0.00 175.17 174.80 2wc3 s THR 50 N -1.39 0.95 -0.33 -1.27 -4.23 -1.26 -4.79 115.64 103.32 2wc3 s THR 50 Ca 0.63 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.24 2wc3 s THR 50 Cb -0.35 -2.30 0.76 0.00 1.34 0.00 0.00 72.50 71.95 2wc3 s THR 50 CO 0.43 0.00 1.81 0.61 -0.54 0.00 0.00 174.62 176.93 2wc3 n GLY 51 N -1.08 3.57 0.31 3.99 0.00 -1.26 -4.57 105.19 106.15 2wc3 n GLY 51 Ca -0.12 -0.98 0.08 0.00 0.00 0.00 0.00 46.02 45.00 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 2.81 0.51 0.00 1.61 3.32 -1.94 -3.31 116.42 119.41 2wc3 h ASP 52 Ca 0.25 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.37 2wc3 h ASP 52 Cb 2.33 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 41.89 2wc3 h ASP 52 CO 0.73 0.20 -1.10 0.52 -1.72 0.00 0.00 179.24 177.87 2wc3 n VAL 53 N -4.89 0.10 0.00 -1.35 0.31 -1.26 -0.87 118.33 110.37 2wc3 n VAL 53 Ca 0.18 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 2wc3 n VAL 53 Cb 0.46 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 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 -3.08 0.00 -0.01 3.52 0.00 -1.26 -0.85 120.51 118.84 2wc3 n ALA 54 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.51 2wc3 n ALA 54 Cb 0.52 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.26 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 1.42 -3.12 0.23 0.00 2.03 -0.03 -4.84 116.55 112.25 2wc3 n ASP 56 Ca 0.22 -0.30 0.07 0.00 0.52 0.00 0.00 54.79 55.30 2wc3 n ASP 56 Cb 0.56 -2.63 0.55 0.00 -0.72 0.00 0.00 41.12 38.89 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 -0.72 0.00 -0.96 -0.67 -0.00 -0.88 0.24 115.15 112.16 2wc3 h HIS 57 Ca -0.37 0.00 0.24 0.00 -0.00 0.00 0.00 60.37 60.23 2wc3 h HIS 57 Cb 1.25 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 28.59 2wc3 h HIS 57 CO 0.71 0.17 0.64 -0.92 -0.00 0.00 0.00 177.93 178.53 2wc3 h TYR 58 N 0.00 0.50 0.00 5.26 3.20 -1.50 0.53 116.97 124.95 2wc3 h TYR 58 Ca -0.00 0.02 -0.24 0.00 3.14 0.00 0.00 58.73 61.64 2wc3 h TYR 58 Cb 0.33 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 2wc3 h TYR 58 CO 0.00 0.10 -2.09 0.09 -1.64 0.00 0.00 178.16 174.62 2wc3 n ASN 59 N -4.50 0.85 -1.62 -2.11 3.02 -0.43 -4.61 115.26 105.86 2wc3 n ASN 59 Ca 0.21 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.85 2wc3 n ASN 59 Cb 0.81 1.11 0.36 0.00 -0.61 0.00 0.00 39.78 41.45 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 -2.52 3.93 -0.29 3.52 1.74 0.71 -4.72 116.66 119.02 2wc3 n ARG 60 Ca -0.22 -2.94 0.05 0.00 -0.77 0.00 0.00 57.85 53.97 2wc3 n ARG 60 Cb 0.93 -1.95 0.19 0.00 -1.02 0.00 0.00 32.46 30.60 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 4.00 0.80 -0.13 -1.55 5.08 -1.16 -2.75 115.95 120.24 2wc3 h TRP 61 Ca 0.00 0.03 -0.00 0.00 1.08 0.00 0.00 58.89 60.00 2wc3 h TRP 61 Cb 1.54 -0.23 -0.01 0.00 -3.00 0.00 0.00 29.16 27.47 2wc3 h TRP 61 CO 0.82 0.26 0.07 -0.22 -1.28 0.00 0.00 178.44 178.09 2wc3 h LYS 62 N 0.70 0.17 -0.86 0.12 3.64 -1.87 -0.41 116.57 118.06 2wc3 h LYS 62 Ca 0.42 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.85 2wc3 h LYS 62 Cb 0.50 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.23 2wc3 h LYS 62 CO -0.30 0.17 0.56 0.93 -2.27 0.00 0.00 179.45 178.53 2wc3 h GLU 63 N 0.13 0.92 -0.14 1.90 3.07 -1.89 0.40 114.58 118.98 2wc3 h GLU 63 Ca 0.05 -0.06 -0.20 0.00 -0.50 0.00 0.00 59.36 58.65 2wc3 h GLU 63 Cb 0.04 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 27.74 2wc3 h GLU 63 CO -0.01 0.61 -0.73 -0.44 -1.40 0.00 0.00 179.01 177.04 2wc3 h ASP 64 N 0.95 0.76 -0.32 1.42 3.32 -1.23 -1.47 116.42 119.86 2wc3 h ASP 64 Ca 0.37 -0.49 -0.13 0.00 0.02 0.00 0.00 57.03 56.80 2wc3 h ASP 64 Cb 0.22 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2wc3 h ASP 64 CO -0.13 1.26 -0.29 0.40 -1.72 0.00 0.00 179.24 178.76 2wc3 h ILE 65 N 0.45 1.28 -0.32 0.35 2.04 -0.27 -2.64 117.51 118.40 2wc3 h ILE 65 Ca -0.04 -1.44 -0.01 0.00 1.00 0.00 0.00 64.86 64.38 2wc3 h ILE 65 Cb 1.34 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 2wc3 h ILE 65 CO 0.14 0.48 0.17 -0.33 0.00 0.00 0.00 178.15 178.61 2wc3 h GLU 66 N 0.71 0.44 -0.36 2.37 5.08 -0.08 -1.36 114.58 121.37 2wc3 h GLU 66 Ca 0.08 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2wc3 h GLU 66 Cb 0.83 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2wc3 h GLU 66 CO 0.07 0.33 0.14 0.82 -1.00 0.00 0.00 179.01 179.37 2wc3 h ILE 67 N 0.44 1.19 -0.17 3.13 2.04 -0.99 0.17 117.51 123.33 2wc3 h ILE 67 Ca 0.12 -0.60 0.03 0.00 1.00 0.00 0.00 64.86 65.41 2wc3 h ILE 67 Cb 0.03 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 2wc3 h ILE 67 CO -0.02 0.21 -0.01 0.40 0.00 0.00 0.00 178.15 178.74 2wc3 h ILE 68 N 0.44 0.87 0.16 -0.67 2.04 -0.98 -1.54 117.51 117.83 2wc3 h ILE 68 Ca 0.12 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.98 2wc3 h ILE 68 Cb 0.20 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 2wc3 h ILE 68 CO -0.01 0.01 -0.24 -0.08 0.00 0.00 0.00 178.15 177.83 2wc3 h GLU 69 N 0.05 -0.45 -0.90 2.37 4.81 -1.17 -1.32 114.58 117.98 2wc3 h GLU 69 Ca 0.08 0.03 0.18 0.00 -0.13 0.00 0.00 59.36 59.52 2wc3 h GLU 69 Cb 0.10 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.51 2wc3 h GLU 69 CO -0.14 -0.30 0.58 -0.22 -0.73 0.00 0.00 179.01 178.21 2wc3 h LYS 70 N -0.46 0.49 -0.00 1.92 1.63 -0.48 0.38 116.57 120.05 2wc3 h LYS 70 Ca 0.02 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2wc3 h LYS 70 Cb 0.47 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 2wc3 h LYS 70 CO -0.11 0.33 -0.14 1.28 -3.45 0.00 0.00 179.45 177.36 2wc3 n LEU 71 N -4.54 0.55 -0.70 5.20 4.77 -0.60 -4.94 117.00 116.74 2wc3 n LEU 71 Ca 0.19 -0.02 -0.09 0.00 -0.03 0.00 0.00 56.01 56.06 2wc3 n LEU 71 Cb 0.62 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 2wc3 n LEU 71 CO 0.30 0.10 -0.09 0.61 -1.33 0.00 0.00 177.39 176.98 2wc3 n GLY 72 N 1.30 1.04 3.73 -0.72 0.00 0.13 -4.56 105.19 106.13 2wc3 n GLY 72 Ca 0.13 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.34 3.94 -0.12 1.61 1.01 -1.08 -4.83 120.40 118.59 2wc3 s VAL 73 Ca 0.00 1.63 0.22 0.00 0.00 0.00 0.00 61.98 63.82 2wc3 s VAL 73 Cb 0.00 -4.04 -0.19 0.00 0.00 0.00 0.00 36.38 32.15 2wc3 s VAL 73 CO 0.00 0.26 0.70 0.29 0.00 0.00 0.00 175.10 176.34 2wc3 n LYS 74 N 2.61 0.64 -4.36 2.72 4.76 -0.36 -4.66 118.16 119.50 2wc3 n LYS 74 Ca 0.03 -0.04 -0.19 0.00 -2.87 0.00 0.00 58.31 55.24 2wc3 n LYS 74 Cb 0.46 -1.66 -0.14 0.00 -1.84 0.00 0.00 35.03 31.86 2wc3 n LYS 74 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wc3 s ALA 75 N -3.37 0.98 -0.17 7.82 0.00 -0.39 0.42 121.76 127.05 2wc3 s ALA 75 Ca -0.05 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 2wc3 s ALA 75 Cb 0.12 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 23.11 2wc3 s ALA 75 CO 0.85 0.19 -0.02 -0.47 0.00 0.00 0.00 175.76 176.32 2wc3 s TYR 76 N -0.64 1.42 -0.25 0.00 5.04 -0.40 -2.03 117.35 120.49 2wc3 s TYR 76 Ca 0.02 -0.96 -0.19 0.00 -2.44 0.00 0.00 57.07 53.50 2wc3 s TYR 76 Cb -0.06 -1.18 -0.03 0.00 0.35 0.00 0.00 41.96 41.04 2wc3 s TYR 76 CO 0.00 -0.59 0.55 0.50 -1.34 0.00 0.00 175.55 174.67 2wc3 s ARG 77 N 1.73 4.10 0.29 4.97 3.52 -0.05 -1.52 118.95 131.98 2wc3 s ARG 77 Ca -0.00 0.40 0.03 0.00 -0.13 0.00 0.00 55.73 56.03 2wc3 s ARG 77 Cb -0.16 -3.64 -0.04 0.00 -1.56 0.00 0.00 34.95 29.55 2wc3 s ARG 77 CO -0.07 -0.35 0.14 -0.59 -0.81 0.00 0.00 175.30 173.62 2wc3 s PHE 78 N 2.29 1.57 0.16 5.12 -0.71 -0.89 -0.87 117.98 124.66 2wc3 s PHE 78 Ca 0.23 -1.33 0.11 0.00 -1.04 0.00 0.00 56.93 54.90 2wc3 s PHE 78 Cb -0.16 -0.86 -0.04 0.00 -1.21 0.00 0.00 43.02 40.75 2wc3 s PHE 78 CO 0.09 -0.48 -0.24 -1.54 -1.34 0.00 0.00 175.22 171.71 2wc3 s SER 79 N -3.36 3.22 -0.10 1.98 1.04 -1.26 -0.45 113.70 114.78 2wc3 s SER 79 Ca 0.36 -0.81 -0.12 0.00 0.48 0.00 0.00 55.95 55.86 2wc3 s SER 79 Cb 0.06 -0.22 -0.05 0.00 0.10 0.00 0.00 66.02 65.91 2wc3 s SER 79 CO 0.16 0.12 0.27 -0.63 0.98 0.00 0.00 173.24 174.14 2wc3 s ILE 80 N -1.47 5.30 -0.45 -1.02 1.01 -0.92 -3.94 121.20 119.71 2wc3 s ILE 80 Ca 0.17 0.50 -0.26 0.00 0.00 0.00 0.00 60.65 61.06 2wc3 s ILE 80 Cb -0.09 -3.57 0.03 0.00 0.01 0.00 0.00 42.46 38.84 2wc3 s ILE 80 CO 0.08 0.52 0.94 -0.55 0.00 0.00 0.00 174.94 175.92 2wc3 s SER 81 N -0.45 6.53 0.18 3.58 0.15 -1.26 -4.69 113.70 117.74 2wc3 s SER 81 Ca 0.17 0.20 -0.24 0.00 0.70 0.00 0.00 55.95 56.78 2wc3 s SER 81 Cb -0.14 -2.46 0.07 0.00 -1.71 0.00 0.00 66.02 61.79 2wc3 s SER 81 CO 0.06 -1.04 1.57 -0.25 1.20 0.00 0.00 173.24 174.78 2wc3 h TRP 82 N 9.02 -1.21 0.00 3.44 2.91 -1.85 -1.45 115.95 126.81 2wc3 h TRP 82 Ca -0.24 0.08 0.00 0.00 1.13 0.00 0.00 58.89 59.87 2wc3 h TRP 82 Cb 1.07 0.62 0.00 0.00 -0.51 0.00 0.00 29.16 30.34 2wc3 h TRP 82 CO 0.87 -0.41 0.00 -0.35 -1.03 0.00 0.00 178.44 177.52 2wc3 n PRO 83 N -5.41 0.03 0.13 2.65 -0.04 -1.26 0.08 135.00 131.18 2wc3 n PRO 83 Ca 0.03 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2wc3 n PRO 83 Cb 0.35 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.14 0.01 0.54 3.08 -1.52 0.33 114.38 116.95 2wc3 h ARG 84 Ca 0.00 -0.06 -0.28 0.00 0.07 0.00 0.00 59.98 59.72 2wc3 h ARG 84 Cb 0.31 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 2wc3 h ARG 84 CO 0.00 0.49 -1.52 -0.89 -1.07 0.00 0.00 179.97 176.98 2wc3 n ILE 85 N -4.08 1.55 -3.81 2.04 2.08 0.11 -4.10 119.36 113.15 2wc3 n ILE 85 Ca -0.01 -0.12 -0.29 0.00 0.56 0.00 0.00 62.75 62.88 2wc3 n ILE 85 Cb 0.42 -1.99 -0.13 0.00 -0.75 0.00 0.00 39.64 37.19 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 -7.75 3.66 0.51 1.39 1.43 0.33 0.48 118.68 118.73 2wc3 s LEU 86 Ca -0.30 -3.12 0.28 0.00 -1.03 0.00 0.00 54.13 49.95 2wc3 s LEU 86 Cb 0.07 -1.33 1.39 0.00 0.03 0.00 0.00 46.19 46.35 2wc3 s LEU 86 CO 0.59 -0.20 1.89 -0.65 0.23 0.00 0.00 176.35 178.21 2wc3 h PRO 87 N 6.19 0.08 -0.17 1.29 0.11 -1.73 1.82 132.00 139.60 2wc3 h PRO 87 Ca 0.04 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2wc3 h PRO 87 Cb 0.87 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2wc3 h PRO 87 CO 0.60 0.05 0.00 0.39 -0.21 0.00 0.00 178.00 178.84 2wc3 n GLU 88 N -4.33 1.90 0.00 1.05 -0.58 -1.26 -4.24 120.64 113.17 2wc3 n GLU 88 Ca 0.18 -1.34 0.00 0.00 -0.42 0.00 0.00 57.16 55.58 2wc3 n GLU 88 Cb 0.87 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 30.31 2wc3 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wc3 n GLY 89 N 1.22 2.12 3.29 0.62 0.00 0.62 -4.58 105.19 108.47 2wc3 n GLY 89 Ca 0.17 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.65 0.31 0.00 2.61 -4.23 -1.26 -4.82 115.64 107.59 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 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.29 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 -0.45 0.98 3.68 3.99 0.00 -1.26 -4.85 105.19 107.28 2wc3 n GLY 91 Ca 0.01 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 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 4.24 0.24 1.61 3.52 -1.26 -4.98 118.95 122.32 2wc3 s ARG 92 Ca 0.00 2.10 -0.30 0.00 -0.13 0.00 0.00 55.73 57.40 2wc3 s ARG 92 Cb 0.00 -3.67 -0.09 0.00 -1.56 0.00 0.00 34.95 29.63 2wc3 s ARG 92 CO 0.00 -0.68 0.94 0.08 -0.81 0.00 0.00 175.30 174.83 2wc3 s VAL 93 N 2.82 4.07 -0.36 7.11 1.01 -1.26 -4.30 120.40 129.50 2wc3 s VAL 93 Ca 0.68 2.08 -0.21 0.00 0.00 0.00 0.00 61.98 64.54 2wc3 s VAL 93 Cb -0.34 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.72 2wc3 s VAL 93 CO 0.28 0.50 0.66 0.21 0.00 0.00 0.00 175.10 176.75 2wc3 s ASN 94 N -1.18 6.45 0.15 3.32 2.47 0.18 -4.96 114.94 121.37 2wc3 s ASN 94 Ca 0.41 0.17 -0.14 0.00 0.42 0.00 0.00 52.86 53.73 2wc3 s ASN 94 Cb -0.26 -2.34 0.03 0.00 -1.45 0.00 0.00 41.25 37.24 2wc3 s ASN 94 CO 0.32 -0.62 1.69 -0.61 -3.72 0.00 0.00 177.10 174.16 2wc3 h GLN 95 N 8.47 0.76 0.00 0.43 5.75 -1.89 -1.66 115.11 126.97 2wc3 h GLN 95 Ca -0.26 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.08 2wc3 h GLN 95 Cb 1.11 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.54 2wc3 h GLN 95 CO 0.85 0.69 -0.05 0.87 -2.65 0.00 0.00 178.83 178.54 2wc3 h LYS 96 N 0.67 0.00 0.32 1.69 1.57 -1.91 -0.84 116.57 118.07 2wc3 h LYS 96 Ca 0.16 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2wc3 h LYS 96 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2wc3 h LYS 96 CO -0.01 0.05 -0.16 0.78 -0.57 0.00 0.00 179.45 179.55 2wc3 h GLY 97 N 0.37 -0.45 0.01 3.86 0.00 -1.46 -2.56 103.07 102.83 2wc3 h GLY 97 Ca -0.00 0.17 0.08 0.00 0.00 0.00 0.00 47.33 47.58 2wc3 h GLY 97 CO 0.01 -0.17 -0.22 1.41 0.00 0.00 0.00 176.54 177.57 2wc3 h LEU 98 N -0.65 -0.74 -0.68 3.11 3.38 -0.96 -2.63 115.31 116.15 2wc3 h LEU 98 Ca -0.04 0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.18 2wc3 h LEU 98 Cb 0.46 0.38 -0.07 0.00 0.09 0.00 0.00 40.66 41.52 2wc3 h LEU 98 CO 0.07 -0.25 0.31 0.44 0.09 0.00 0.00 178.44 179.11 2wc3 h ASP 99 N -0.16 0.39 -0.62 -0.43 3.32 -1.18 0.11 116.42 117.85 2wc3 h ASP 99 Ca 0.19 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.34 2wc3 h ASP 99 Cb 0.45 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 2wc3 h ASP 99 CO -0.48 0.22 0.37 0.15 -1.72 0.00 0.00 179.24 177.78 2wc3 h PHE 100 N 0.54 0.68 0.14 4.55 3.57 -1.08 -1.53 116.94 123.81 2wc3 h PHE 100 Ca 0.34 0.02 -0.30 0.00 3.53 0.00 0.00 57.97 61.56 2wc3 h PHE 100 Cb 0.37 -0.22 0.03 0.00 2.79 0.00 0.00 35.95 38.93 2wc3 h PHE 100 CO -0.12 0.36 -1.25 1.88 -2.23 0.00 0.00 178.31 176.95 2wc3 h TYR 101 N 0.71 0.99 -0.52 0.41 0.05 -1.34 -3.09 116.97 114.18 2wc3 h TYR 101 Ca 0.26 -0.64 0.10 0.00 0.05 0.00 0.00 58.73 58.51 2wc3 h TYR 101 Cb 0.09 -0.07 -0.10 0.00 1.01 0.00 0.00 36.73 37.65 2wc3 h TYR 101 CO -0.07 1.48 -0.24 -0.91 -1.05 0.00 0.00 178.16 177.38 2wc3 h ASN 102 N 0.23 -0.82 -0.62 3.88 2.35 -0.83 -0.34 115.58 119.42 2wc3 h ASN 102 Ca -0.19 0.19 0.07 0.00 -0.55 0.00 0.00 56.30 55.81 2wc3 h ASN 102 Cb 1.93 0.44 -0.06 0.00 0.05 0.00 0.00 38.32 40.68 2wc3 h ASN 102 CO 0.24 -0.26 0.31 0.03 -1.65 0.00 0.00 177.43 176.10 2wc3 h ARG 103 N -0.12 0.54 -0.43 0.81 3.08 -1.36 0.29 114.38 117.20 2wc3 h ARG 103 Ca 0.24 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.26 2wc3 h ARG 103 Cb 0.49 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 2wc3 h ARG 103 CO -0.59 0.36 0.28 0.82 -1.07 0.00 0.00 179.97 179.77 2wc3 h ILE 104 N 0.56 1.12 0.00 2.04 2.04 -1.29 -1.09 117.51 120.89 2wc3 h ILE 104 Ca 0.29 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 2wc3 h ILE 104 Cb 0.25 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2wc3 h ILE 104 CO -0.22 0.12 -0.00 0.40 0.00 0.00 0.00 178.15 178.44 2wc3 h ILE 105 N 0.58 1.26 -0.34 -0.67 2.04 -0.45 -1.89 117.51 118.05 2wc3 h ILE 105 Ca 0.16 -0.80 0.07 0.00 1.00 0.00 0.00 64.86 65.29 2wc3 h ILE 105 Cb -0.05 1.81 -0.07 0.00 -0.74 0.00 0.00 36.82 37.77 2wc3 h ILE 105 CO -0.03 0.21 -0.13 0.44 0.00 0.00 0.00 178.15 178.64 2wc3 h ASP 106 N -0.34 -0.45 -0.64 1.72 3.32 -0.40 -2.14 116.42 117.49 2wc3 h ASP 106 Ca -0.00 0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.22 2wc3 h ASP 106 Cb 0.34 0.26 -0.05 0.00 0.22 0.00 0.00 39.33 40.10 2wc3 h ASP 106 CO 0.00 -0.16 0.36 0.74 -1.72 0.00 0.00 179.24 178.46 2wc3 h THR 107 N -0.06 0.99 -0.22 0.35 2.02 -1.13 0.37 112.91 115.23 2wc3 h THR 107 Ca 0.17 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 2wc3 h THR 107 Cb 0.32 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2wc3 h THR 107 CO -0.38 0.13 0.03 -0.07 0.37 0.00 0.00 175.52 175.60 2wc3 h LEU 108 N 0.69 0.36 -0.52 2.58 3.38 -0.75 -2.09 115.31 118.95 2wc3 h LEU 108 Ca 0.28 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2wc3 h LEU 108 Cb 0.14 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2wc3 h LEU 108 CO -0.16 0.53 0.34 -0.07 0.09 0.00 0.00 178.44 179.17 2wc3 h LEU 109 N 0.17 0.61 -2.36 1.67 4.07 -1.16 0.35 115.31 118.65 2wc3 h LEU 109 Ca 0.07 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 2wc3 h LEU 109 Cb 0.33 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.91 2wc3 h LEU 109 CO 0.00 0.45 -0.03 -0.33 -1.08 0.00 0.00 178.44 177.45 2wc3 h GLU 110 N 0.71 0.00 -0.64 1.13 5.08 -0.66 0.12 114.58 120.32 2wc3 h GLU 110 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2wc3 h GLU 110 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2wc3 h GLU 110 CO -0.04 0.03 0.00 1.63 -1.00 0.00 0.00 179.01 179.63 2wc3 n LYS 111 N -3.73 3.10 -2.43 2.33 5.02 -0.61 -4.96 118.16 116.88 2wc3 n LYS 111 Ca -0.03 -2.66 -0.13 0.00 -2.02 0.00 0.00 58.31 53.47 2wc3 n LYS 111 Cb 0.12 -1.65 0.01 0.00 -0.02 0.00 0.00 35.03 33.49 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 1.24 -0.09 3.51 0.72 0.00 0.40 -4.98 105.19 105.99 2wc3 n GLY 112 Ca 0.23 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.73 4.04 -0.25 -0.61 1.01 0.11 -4.89 121.20 117.87 2wc3 s ILE 113 Ca 0.07 -0.30 -0.26 0.00 0.00 0.00 0.00 60.65 60.16 2wc3 s ILE 113 Cb -0.03 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.65 2wc3 s ILE 113 CO 0.09 0.47 0.90 -0.89 0.00 0.00 0.00 174.94 175.52 2wc3 s THR 114 N 0.51 4.76 0.11 2.92 2.01 0.17 -3.70 115.64 122.42 2wc3 s THR 114 Ca -0.02 1.66 -0.30 0.00 0.31 0.00 0.00 61.69 63.34 2wc3 s THR 114 Cb -0.14 -4.20 -0.06 0.00 0.01 0.00 0.00 72.50 68.11 2wc3 s THR 114 CO 0.02 -0.16 0.99 -2.16 -0.69 0.00 0.00 174.62 172.63 2wc3 s PRO 115 N 3.03 4.66 -0.26 4.92 0.04 -1.26 -1.27 135.00 144.85 2wc3 s PRO 115 Ca 0.38 1.50 0.01 0.00 0.04 0.00 0.00 61.00 62.93 2wc3 s PRO 115 Cb -0.15 -3.37 0.05 0.00 0.04 0.00 0.00 34.50 31.07 2wc3 s PRO 115 CO 0.08 0.15 -0.08 -0.06 0.04 0.00 0.00 177.00 177.13 2wc3 s PHE 116 N 0.10 3.17 -0.21 0.56 0.40 -0.58 -4.25 117.98 117.17 2wc3 s PHE 116 Ca 0.48 -1.97 -0.13 0.00 -0.60 0.00 0.00 56.93 54.71 2wc3 s PHE 116 Cb -0.24 -2.00 -0.05 0.00 0.51 0.00 0.00 43.02 41.24 2wc3 s PHE 116 CO 0.30 -0.82 0.26 0.08 0.70 0.00 0.00 175.22 175.74 2wc3 s VAL 117 N 1.21 5.30 -0.23 -0.44 1.01 -0.44 -2.09 120.40 124.72 2wc3 s VAL 117 Ca -0.05 0.42 -0.18 0.00 0.00 0.00 0.00 61.98 62.17 2wc3 s VAL 117 Cb -0.18 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2wc3 s VAL 117 CO -0.05 0.33 0.50 -0.89 0.00 0.00 0.00 175.10 174.99 2wc3 s THR 118 N 0.98 5.10 0.11 3.92 2.01 0.41 -0.40 115.64 127.77 2wc3 s THR 118 Ca 0.13 0.88 -0.11 0.00 0.31 0.00 0.00 61.69 62.90 2wc3 s THR 118 Cb -0.14 -3.82 -0.15 0.00 0.01 0.00 0.00 72.50 68.41 2wc3 s THR 118 CO 0.05 0.14 1.32 0.40 -0.69 0.00 0.00 174.62 175.84 2wc3 h ILE 119 N 5.26 1.29 -3.30 1.82 2.04 -0.16 -2.44 117.51 122.02 2wc3 h ILE 119 Ca -0.31 -2.00 -0.52 0.00 1.00 0.00 0.00 64.86 63.03 2wc3 h ILE 119 Cb 1.15 2.00 -0.39 0.00 -0.74 0.00 0.00 36.82 38.84 2wc3 h ILE 119 CO 0.72 0.63 -0.78 -0.47 0.00 0.00 0.00 178.15 178.26 2wc3 s TYR 120 N -3.73 1.24 -0.37 1.37 5.04 -0.61 -4.45 117.35 115.84 2wc3 s TYR 120 Ca -0.10 -0.82 0.11 0.00 -2.44 0.00 0.00 57.07 53.82 2wc3 s TYR 120 Cb 0.09 -1.10 0.45 0.00 0.35 0.00 0.00 41.96 41.74 2wc3 s TYR 120 CO 0.90 -0.56 1.07 1.58 -1.34 0.00 0.00 175.55 177.20 2wc3 n HIS 121 N 4.99 2.38 0.00 4.97 -0.00 -1.26 -0.52 115.22 125.79 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 0.48 -0.23 0.00 0.00 -0.00 0.00 0.00 29.99 30.24 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 -2.38 1.57 8.01 -1.26 -4.86 117.44 118.14 2wc3 n TRP 122 Ca 0.27 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 56.04 2wc3 n TRP 122 Cb 0.76 0.00 0.01 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 6.92 -4.74 -0.99 5.75 -1.26 -4.72 116.55 117.50 2wc3 n ASP 123 Ca 0.00 -3.30 -0.42 0.00 -0.01 0.00 0.00 54.79 51.06 2wc3 n ASP 123 Cb 0.00 -1.33 -0.01 0.00 -1.03 0.00 0.00 41.12 38.75 2wc3 n ASP 123 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2wc3 n LEU 124 N 1.78 4.30 -4.67 -2.12 7.94 -1.26 -4.30 117.00 118.67 2wc3 n LEU 124 Ca 0.47 1.21 -0.45 0.00 -1.11 0.00 0.00 56.01 56.13 2wc3 n LEU 124 Cb 0.29 -1.57 -0.04 0.00 0.53 0.00 0.00 43.42 42.63 2wc3 n LEU 124 CO 0.69 -0.05 1.18 -2.65 -1.11 0.00 0.00 177.39 175.45 2wc3 n PRO 125 N 0.78 2.19 -0.20 1.96 -0.02 -1.26 -0.71 135.00 137.74 2wc3 n PRO 125 Ca 0.04 0.79 0.16 0.00 -2.02 0.00 0.00 63.50 62.46 2wc3 n PRO 125 Cb 0.37 -2.55 0.49 0.00 -0.02 0.00 0.00 33.50 31.79 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 5.74 0.55 -0.19 6.00 3.57 -1.33 -1.50 116.94 129.78 2wc3 h PHE 126 Ca -0.45 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.12 2wc3 h PHE 126 Cb 1.25 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 2wc3 h PHE 126 CO 0.62 0.19 0.15 0.00 -2.23 0.00 0.00 178.31 177.04 2wc3 h ALA 127 N 1.63 2.11 0.06 2.41 0.00 -1.84 -1.90 119.26 121.72 2wc3 h ALA 127 Ca 0.41 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 55.01 2wc3 h ALA 127 Cb 0.90 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2wc3 h ALA 127 CO -0.15 -0.24 -1.62 -0.07 0.00 0.00 0.00 179.25 177.17 2wc3 h LEU 128 N 0.00 0.18 -1.11 0.00 3.38 -1.52 -3.21 115.31 113.02 2wc3 h LEU 128 Ca 0.09 -0.32 0.15 0.00 0.09 0.00 0.00 57.88 57.90 2wc3 h LEU 128 Cb 0.38 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.98 2wc3 h LEU 128 CO -0.00 1.27 0.61 -0.61 0.09 0.00 0.00 178.44 179.80 2wc3 h GLN 129 N 0.03 0.79 0.00 1.13 5.75 -1.23 0.16 115.11 121.74 2wc3 h GLN 129 Ca -0.26 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.18 2wc3 h GLN 129 Cb 1.99 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 30.36 2wc3 h GLN 129 CO 0.11 0.52 -0.02 -0.07 -2.65 0.00 0.00 178.83 176.72 2wc3 h LEU 130 N 0.81 0.00 -3.12 -2.39 3.38 -1.36 0.23 115.31 112.86 2wc3 h LEU 130 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2wc3 h LEU 130 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2wc3 h LEU 130 CO -0.28 0.02 0.00 0.29 0.09 0.00 0.00 178.44 178.57 2wc3 n LYS 131 N -3.28 3.41 0.00 1.13 4.76 0.38 -4.93 118.16 119.63 2wc3 n LYS 131 Ca -0.02 -2.71 0.00 0.00 -2.87 0.00 0.00 58.31 52.71 2wc3 n LYS 131 Cb 0.16 -1.76 0.00 0.00 -1.84 0.00 0.00 35.03 31.59 2wc3 n LYS 131 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wc3 n GLY 132 N 0.65 2.55 7.00 0.72 0.00 0.82 -4.71 105.19 112.22 2wc3 n GLY 132 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2wc3 n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wc3 n GLY 133 N -1.05 2.11 0.00 -0.02 0.00 -0.20 -1.83 105.19 104.19 2wc3 n GLY 133 Ca 0.00 -0.51 0.06 0.00 0.00 0.00 0.00 46.02 45.57 2wc3 n GLY 133 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wc3 n TRP 134 N 13.25 0.00 0.23 1.61 7.02 -1.26 -2.28 117.44 136.01 2wc3 n TRP 134 Ca 0.00 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.61 2wc3 n TRP 134 Cb 0.00 -0.50 0.32 0.00 -2.42 0.00 0.00 31.31 28.71 2wc3 n TRP 134 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2wc3 h ALA 135 N 2.40 0.99 -2.88 6.99 0.00 -1.68 -3.30 119.26 121.77 2wc3 h ALA 135 Ca 0.00 -0.02 -0.62 0.00 0.00 0.00 0.00 54.91 54.27 2wc3 h ALA 135 Cb 0.20 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.85 2wc3 h ALA 135 CO 0.00 0.03 -0.31 1.21 0.00 0.00 0.00 179.25 180.18 2wc3 s ASN 136 N -6.07 6.28 0.37 0.00 3.84 -0.97 -4.83 114.94 113.56 2wc3 s ASN 136 Ca 0.05 0.32 0.16 0.00 0.21 0.00 0.00 52.86 53.60 2wc3 s ASN 136 Cb 0.06 -2.19 1.05 0.00 -0.55 0.00 0.00 41.25 39.63 2wc3 s ASN 136 CO 0.64 -0.07 1.74 0.03 -2.79 0.00 0.00 177.10 176.65 2wc3 h ARG 137 N 7.69 0.42 0.00 0.43 3.08 -1.87 -0.47 114.38 123.66 2wc3 h ARG 137 Ca -0.35 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.67 2wc3 h ARG 137 Cb 1.17 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2wc3 h ARG 137 CO 0.67 0.28 0.00 0.39 -1.07 0.00 0.00 179.97 180.24 2wc3 n GLU 138 N -4.73 0.03 0.27 0.04 1.02 -1.26 -2.43 120.64 113.57 2wc3 n GLU 138 Ca 0.27 0.35 0.13 0.00 -0.02 0.00 0.00 57.16 57.89 2wc3 n GLU 138 Cb 0.87 -1.50 0.77 0.00 -0.02 0.00 0.00 31.44 31.56 2wc3 n GLU 138 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 2wc3 h ILE 139 N 0.00 0.54 -0.78 -3.67 2.10 -1.34 -1.78 117.51 112.57 2wc3 h ILE 139 Ca 0.00 -0.42 -0.03 0.00 1.08 0.00 0.00 64.86 65.49 2wc3 h ILE 139 Cb 0.05 1.27 -0.04 0.00 -1.09 0.00 0.00 36.82 37.02 2wc3 h ILE 139 CO 0.00 0.09 0.37 0.00 -1.08 0.00 0.00 178.15 177.53 2wc3 h ALA 140 N 1.91 1.01 0.39 0.18 0.00 -1.72 0.23 119.26 121.26 2wc3 h ALA 140 Ca -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2wc3 h ALA 140 Cb 0.26 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wc3 h ALA 140 CO 0.01 0.58 -0.19 -0.44 0.00 0.00 0.00 179.25 179.22 2wc3 h ASP 141 N 1.11 -0.45 -0.49 0.00 3.32 -1.62 -1.68 116.42 116.60 2wc3 h ASP 141 Ca 0.27 -0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.37 2wc3 h ASP 141 Cb 0.13 0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.73 2wc3 h ASP 141 CO -0.03 -0.26 0.11 -0.50 -1.72 0.00 0.00 179.24 176.83 2wc3 h TRP 142 N -0.60 0.18 -0.39 4.55 6.55 -0.99 -1.82 115.95 123.42 2wc3 h TRP 142 Ca -0.05 0.03 -0.10 0.00 0.95 0.00 0.00 58.89 59.72 2wc3 h TRP 142 Cb 0.45 -0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.73 2wc3 h TRP 142 CO -0.03 0.01 -0.15 0.35 -1.05 0.00 0.00 178.44 177.56 2wc3 h PHE 143 N 0.25 0.79 -0.00 0.49 3.57 -0.58 -1.71 116.94 119.75 2wc3 h PHE 143 Ca 0.24 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 2wc3 h PHE 143 Cb 0.32 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 2wc3 h PHE 143 CO -0.22 0.82 0.00 0.00 -2.23 0.00 0.00 178.31 176.69 2wc3 h ALA 144 N 1.19 0.00 -0.06 2.41 0.00 -0.74 0.12 119.26 122.19 2wc3 h ALA 144 Ca 0.10 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2wc3 h ALA 144 Cb 0.62 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2wc3 h ALA 144 CO 0.04 -0.43 -0.28 0.93 0.00 0.00 0.00 179.25 179.51 2wc3 h GLU 145 N -0.12 0.11 -0.02 0.00 4.39 -1.22 0.19 114.58 117.90 2wc3 h GLU 145 Ca 0.00 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 2wc3 h GLU 145 Cb 0.13 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2wc3 h GLU 145 CO -0.00 0.39 0.00 -0.92 -1.16 0.00 0.00 179.01 177.32 2wc3 h TYR 146 N 0.10 0.03 -0.44 4.33 3.20 -1.22 -2.23 116.97 120.74 2wc3 h TYR 146 Ca 0.01 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.89 2wc3 h TYR 146 Cb 0.55 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 2wc3 h TYR 146 CO 0.00 0.29 0.28 0.77 -1.64 0.00 0.00 178.16 177.87 2wc3 h SER 147 N -0.24 0.48 -0.65 -2.11 0.02 -0.52 -2.55 113.55 107.98 2wc3 h SER 147 Ca 0.01 -0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.08 2wc3 h SER 147 Cb 0.28 -0.11 -0.10 0.00 0.14 0.00 0.00 62.40 62.61 2wc3 h SER 147 CO 0.00 0.34 0.13 -0.09 -1.14 0.00 0.00 176.83 176.07 2wc3 h ARG 148 N 0.57 0.24 -0.79 3.45 2.43 -0.56 0.41 114.38 120.13 2wc3 h ARG 148 Ca 0.17 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.39 2wc3 h ARG 148 Cb -0.04 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.41 2wc3 h ARG 148 CO -0.05 0.16 0.52 0.28 -1.51 0.00 0.00 179.97 179.36 2wc3 h VAL 149 N 0.25 1.04 -0.03 0.20 2.07 -1.00 -1.39 116.25 117.39 2wc3 h VAL 149 Ca 0.35 -0.30 -0.17 0.00 0.82 0.00 0.00 66.70 67.40 2wc3 h VAL 149 Cb 0.56 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2wc3 h VAL 149 CO -0.46 0.16 -0.66 -0.07 0.02 0.00 0.00 177.57 176.56 2wc3 h LEU 150 N 0.86 0.63 -0.81 2.57 3.38 -0.68 -2.62 115.31 118.65 2wc3 h LEU 150 Ca 0.34 -0.73 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 2wc3 h LEU 150 Cb 0.23 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2wc3 h LEU 150 CO -0.12 1.27 0.35 -0.26 0.09 0.00 0.00 178.44 179.77 2wc3 h PHE 151 N 0.04 1.20 -0.03 1.13 0.04 -0.92 0.25 116.94 118.66 2wc3 h PHE 151 Ca -0.08 -0.08 -0.11 0.00 2.80 0.00 0.00 57.97 60.51 2wc3 h PHE 151 Cb 1.35 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 39.12 2wc3 h PHE 151 CO 0.13 0.89 -0.49 0.93 -0.60 0.00 0.00 178.31 179.18 2wc3 h GLU 152 N 1.16 0.08 0.10 1.51 5.08 -1.28 -0.65 114.58 120.57 2wc3 h GLU 152 Ca 0.27 -0.04 -0.37 0.00 -1.00 0.00 0.00 59.36 58.22 2wc3 h GLU 152 Cb 0.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2wc3 h GLU 152 CO -0.03 0.55 -2.07 0.09 -1.00 0.00 0.00 179.01 176.55 2wc3 n ASN 153 N -3.96 2.00 -0.00 1.42 3.02 -0.99 -4.62 115.26 112.13 2wc3 n ASN 153 Ca -0.02 0.16 0.05 0.00 -0.03 0.00 0.00 54.58 54.74 2wc3 n ASN 153 Cb 0.51 -0.72 -0.06 0.00 -0.61 0.00 0.00 39.78 38.91 2wc3 n ASN 153 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2wc3 n PHE 154 N -3.41 0.00 0.24 3.10 3.72 0.06 -4.61 117.46 116.57 2wc3 n PHE 154 Ca -0.34 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.14 2wc3 n PHE 154 Cb 1.04 -0.09 0.59 0.00 -0.94 0.00 0.00 39.48 40.08 2wc3 n PHE 154 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2wc3 h GLY 155 N 1.99 0.00 0.87 1.37 0.00 -1.13 0.53 103.07 106.70 2wc3 h GLY 155 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.45 2wc3 h GLY 155 CO 0.00 0.00 0.46 1.29 0.00 0.00 0.00 176.54 178.29 2wc3 h ASP 156 N 0.00 0.43 0.00 0.19 2.03 -1.82 -3.34 116.42 113.91 2wc3 h ASP 156 Ca -0.00 0.02 -0.19 0.00 -0.73 0.00 0.00 57.03 56.12 2wc3 h ASP 156 Cb 0.31 -0.07 -0.03 0.00 -0.83 0.00 0.00 39.33 38.71 2wc3 h ASP 156 CO 0.02 0.24 -1.68 0.54 -1.03 0.00 0.00 179.24 177.33 2wc3 n ARG 157 N -4.48 0.28 -2.87 4.15 1.74 -0.62 -4.96 116.66 109.90 2wc3 n ARG 157 Ca 0.12 0.09 -0.41 0.00 -0.77 0.00 0.00 57.85 56.88 2wc3 n ARG 157 Cb 0.42 -1.11 -0.04 0.00 -1.02 0.00 0.00 32.46 30.71 2wc3 n ARG 157 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2wc3 s VAL 158 N -2.23 4.90 -0.17 1.55 1.01 0.18 -4.93 120.40 120.71 2wc3 s VAL 158 Ca -0.16 1.71 0.01 0.00 0.00 0.00 0.00 61.98 63.53 2wc3 s VAL 158 Cb 0.05 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.28 2wc3 s VAL 158 CO 0.25 0.09 0.54 0.29 0.00 0.00 0.00 175.10 176.27 2wc3 n LYS 159 N 4.70 -0.70 -3.93 2.72 4.76 -1.26 -4.37 118.16 120.09 2wc3 n LYS 159 Ca 0.04 -0.57 -0.28 0.00 -2.87 0.00 0.00 58.31 54.63 2wc3 n LYS 159 Cb 0.50 -1.02 -0.17 0.00 -1.84 0.00 0.00 35.03 32.50 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 -0.13 2.50 0.03 4.39 0.01 -1.26 -0.27 114.94 120.21 2wc3 s ASN 160 Ca 0.02 -0.46 0.06 0.00 -0.71 0.00 0.00 52.86 51.76 2wc3 s ASN 160 Cb 0.01 -0.94 -0.02 0.00 0.41 0.00 0.00 41.25 40.71 2wc3 s ASN 160 CO 0.02 -0.13 -0.17 0.26 -1.51 0.00 0.00 177.10 175.57 2wc3 s TRP 161 N 1.64 1.49 -0.15 2.20 0.52 0.26 -1.33 118.94 123.57 2wc3 s TRP 161 Ca 0.04 -0.34 0.02 0.00 0.02 0.00 0.00 56.10 55.83 2wc3 s TRP 161 Cb -0.13 -0.90 0.01 0.00 -1.15 0.00 0.00 33.47 31.30 2wc3 s TRP 161 CO -0.09 0.05 -0.21 0.42 0.02 0.00 0.00 176.95 177.14 2wc3 s ILE 162 N -0.74 2.10 0.00 2.03 1.01 0.46 -0.05 121.20 126.02 2wc3 s ILE 162 Ca 0.05 -0.96 -0.08 0.00 0.00 0.00 0.00 60.65 59.66 2wc3 s ILE 162 Cb -0.08 -1.85 -0.05 0.00 0.01 0.00 0.00 42.46 40.50 2wc3 s ILE 162 CO 0.01 0.55 0.77 0.71 0.00 0.00 0.00 174.94 176.97 2wc3 h THR 163 N 5.84 0.00 -4.17 2.92 1.35 -1.44 0.44 112.91 117.85 2wc3 h THR 163 Ca -0.35 -0.12 -0.67 0.00 -0.55 0.00 0.00 66.41 64.71 2wc3 h THR 163 Cb 1.18 0.00 -0.31 0.00 -1.73 0.00 0.00 68.15 67.29 2wc3 h THR 163 CO 0.57 0.00 -0.88 -0.76 -0.25 0.00 0.00 175.52 174.21 2wc3 s LEU 164 N -5.86 2.05 -0.31 3.87 1.43 -1.26 -1.57 118.68 117.03 2wc3 s LEU 164 Ca -0.04 -0.47 -0.22 0.00 -1.03 0.00 0.00 54.13 52.37 2wc3 s LEU 164 Cb 0.00 -1.30 -0.00 0.00 0.03 0.00 0.00 46.19 44.92 2wc3 s LEU 164 CO 0.13 0.25 0.70 0.21 0.23 0.00 0.00 176.35 177.87 2wc3 s ASN 165 N -0.27 6.55 -0.87 2.29 2.47 0.32 -1.85 114.94 123.59 2wc3 s ASN 165 Ca 0.00 0.49 -0.05 0.00 0.42 0.00 0.00 52.86 53.72 2wc3 s ASN 165 Cb -0.12 -2.36 -0.00 0.00 -1.45 0.00 0.00 41.25 37.31 2wc3 s ASN 165 CO 0.02 -0.55 0.68 -0.62 -3.72 0.00 0.00 177.10 172.91 2wc3 n GLU 166 N 6.04 -1.38 0.25 0.43 1.02 0.66 -4.74 120.64 122.93 2wc3 n GLU 166 Ca 0.01 0.96 0.09 0.00 -0.02 0.00 0.00 57.16 58.19 2wc3 n GLU 166 Cb 0.48 -3.97 0.65 0.00 -0.02 0.00 0.00 31.44 28.58 2wc3 n GLU 166 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2wc3 h PRO 167 N -0.39 0.00 -0.46 3.49 0.13 -1.84 -0.51 132.00 132.43 2wc3 h PRO 167 Ca -0.41 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.78 2wc3 h PRO 167 Cb 1.25 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 2wc3 h PRO 167 CO 0.37 0.08 0.14 2.35 -0.23 0.00 0.00 178.00 180.70 2wc3 h TRP 168 N 0.00 0.24 -0.28 1.56 7.01 -1.91 -1.88 115.95 120.68 2wc3 h TRP 168 Ca -0.00 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.99 2wc3 h TRP 168 Cb 0.15 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.16 2wc3 h TRP 168 CO 0.00 0.06 0.04 0.28 -2.79 0.00 0.00 178.44 176.03 2wc3 h VAL 169 N 0.29 1.24 -0.20 2.65 2.07 -1.44 0.22 116.25 121.07 2wc3 h VAL 169 Ca 0.22 -0.81 0.06 0.00 0.82 0.00 0.00 66.70 66.98 2wc3 h VAL 169 Cb 0.24 1.22 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 2wc3 h VAL 169 CO -0.25 0.26 -0.30 0.58 0.02 0.00 0.00 177.57 177.89 2wc3 h VAL 170 N 0.29 0.31 0.53 2.57 2.07 -1.29 -0.34 116.25 120.39 2wc3 h VAL 170 Ca 0.09 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 2wc3 h VAL 170 Cb 0.35 0.31 0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2wc3 h VAL 170 CO 0.01 0.00 -0.25 0.00 0.02 0.00 0.00 177.57 177.34 2wc3 h ALA 171 N 0.57 -0.83 0.09 1.67 0.00 -1.27 -2.73 119.26 116.75 2wc3 h ALA 171 Ca 0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wc3 h ALA 171 Cb 0.52 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2wc3 h ALA 171 CO -0.39 -0.78 -0.04 0.82 0.00 0.00 0.00 179.25 178.86 2wc3 h ILE 172 N -1.00 1.14 0.00 0.00 1.08 -0.94 -0.04 117.51 117.75 2wc3 h ILE 172 Ca -0.07 -1.31 -0.14 0.00 -0.39 0.00 0.00 64.86 62.96 2wc3 h ILE 172 Cb 0.54 1.92 -0.02 0.00 -3.07 0.00 0.00 36.82 36.19 2wc3 h ILE 172 CO 0.12 0.30 -0.65 0.58 -0.69 0.00 0.00 178.15 177.81 2wc3 h VAL 173 N -0.77 1.37 0.05 1.67 2.07 -1.23 0.76 116.25 120.17 2wc3 h VAL 173 Ca -0.01 -2.28 -0.24 0.00 0.82 0.00 0.00 66.70 64.98 2wc3 h VAL 173 Cb 0.58 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 2wc3 h VAL 173 CO 0.02 0.63 -1.04 1.23 0.02 0.00 0.00 177.57 178.43 2wc3 h GLY 174 N 2.22 0.37 0.00 2.17 0.00 -1.04 -1.71 103.07 105.08 2wc3 h GLY 174 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.57 2wc3 h GLY 174 CO 0.08 0.66 -0.32 1.42 0.00 0.00 0.00 176.54 178.38 2wc3 n HIS 175 N -3.66 0.00 -0.12 5.60 8.25 -0.03 -2.34 115.22 122.92 2wc3 n HIS 175 Ca -0.07 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.18 2wc3 n HIS 175 Cb 0.90 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.94 2wc3 n HIS 175 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2wc3 n LEU 176 N -0.77 1.95 0.17 2.41 7.94 0.07 -1.02 117.00 127.74 2wc3 n LEU 176 Ca 0.00 0.34 0.06 0.00 -1.11 0.00 0.00 56.01 55.30 2wc3 n LEU 176 Cb 0.00 -0.79 0.12 0.00 0.53 0.00 0.00 43.42 43.28 2wc3 n LEU 176 CO 0.00 0.20 0.61 1.88 -1.11 0.00 0.00 177.39 178.97 2wc3 h TYR 177 N -1.00 0.00 0.00 1.96 0.05 -1.17 -3.37 116.97 113.44 2wc3 h TYR 177 Ca -0.40 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.38 2wc3 h TYR 177 Cb 1.34 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.08 2wc3 h TYR 177 CO -0.23 0.33 0.00 0.41 -1.05 0.00 0.00 178.16 177.62 2wc3 n GLY 178 N 1.06 0.72 0.08 3.88 0.00 -0.90 -4.88 105.19 105.16 2wc3 n GLY 178 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 1.18 -1.87 1.61 2.07 -1.69 -3.40 116.25 114.15 2wc3 h VAL 179 Ca 0.00 -2.93 -0.52 0.00 0.82 0.00 0.00 66.70 64.06 2wc3 h VAL 179 Cb 0.01 2.64 -0.06 0.00 -1.52 0.00 0.00 31.29 32.36 2wc3 h VAL 179 CO 0.00 0.73 -0.50 -1.00 0.02 0.00 0.00 177.57 176.82 2wc3 s HIS 180 N -2.64 2.79 0.48 1.57 3.76 -0.70 -4.71 115.29 115.84 2wc3 s HIS 180 Ca -0.05 -0.35 -0.24 0.00 -0.15 0.00 0.00 55.06 54.28 2wc3 s HIS 180 Cb 0.08 -1.70 -0.08 0.00 1.11 0.00 0.00 32.58 32.00 2wc3 s HIS 180 CO 0.83 0.28 1.28 0.00 -0.85 0.00 0.00 174.74 176.28 2wc3 n ALA 181 N -1.24 1.33 0.76 -1.40 0.00 -1.26 -0.83 120.51 117.88 2wc3 n ALA 181 Ca -0.03 0.19 0.05 0.00 0.00 0.00 0.00 53.44 53.66 2wc3 n ALA 181 Cb 0.61 -2.29 0.15 0.00 0.00 0.00 0.00 19.45 17.92 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 -0.40 2.00 -2.16 0.00 -0.04 -1.23 -4.53 135.00 128.65 2wc3 n PRO 182 Ca 0.08 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.31 2wc3 n PRO 182 Cb 0.42 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.84 0.83 3.62 0.55 0.00 -0.01 -5.03 105.19 105.99 2wc3 n GLY 183 Ca 0.11 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 2wc3 n GLY 183 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wc3 s MET 184 N -4.35 2.33 -0.42 1.61 0.00 -0.99 -4.76 119.30 112.72 2wc3 s MET 184 Ca 0.00 -0.92 0.03 0.00 0.00 0.00 0.00 55.69 54.80 2wc3 s MET 184 Cb 0.00 -2.41 0.12 0.00 0.00 0.00 0.00 34.83 32.54 2wc3 s MET 184 CO 0.00 0.53 0.17 1.03 0.00 0.00 0.00 175.02 176.75 2wc3 s ARG 185 N -2.12 1.45 -0.30 4.11 0.52 -1.22 -2.12 118.95 119.27 2wc3 s ARG 185 Ca 0.22 -2.01 -0.05 0.00 -0.52 0.00 0.00 55.73 53.38 2wc3 s ARG 185 Cb -0.11 -2.81 0.17 0.00 0.52 0.00 0.00 34.95 32.72 2wc3 s ARG 185 CO 0.14 -1.06 0.64 0.34 0.02 0.00 0.00 175.30 175.39 2wc3 s ASP 186 N 0.51 -1.26 0.39 0.23 -1.08 -0.19 -4.95 116.67 110.32 2wc3 s ASP 186 Ca 0.14 1.09 0.21 0.00 -0.52 0.00 0.00 52.55 53.48 2wc3 s ASP 186 Cb -0.22 2.18 0.47 0.00 -1.46 0.00 0.00 42.92 43.89 2wc3 s ASP 186 CO -0.06 -0.24 1.64 -0.29 0.52 0.00 0.00 175.17 176.74 2wc3 h ILE 187 N 5.97 0.43 -0.03 4.11 2.10 -1.91 -0.39 117.51 127.78 2wc3 h ILE 187 Ca -0.21 -1.42 -0.12 0.00 1.08 0.00 0.00 64.86 64.20 2wc3 h ILE 187 Cb 1.14 2.05 0.01 0.00 -1.09 0.00 0.00 36.82 38.93 2wc3 h ILE 187 CO 0.19 0.23 -0.45 1.88 -1.08 0.00 0.00 178.15 178.92 2wc3 h TYR 188 N 0.00 0.51 -0.77 2.19 -1.99 -1.94 -2.79 116.97 112.19 2wc3 h TYR 188 Ca -0.00 -0.26 0.04 0.00 2.00 0.00 0.00 58.73 60.51 2wc3 h TYR 188 Cb 1.03 -0.07 -0.05 0.00 2.00 0.00 0.00 36.73 39.65 2wc3 h TYR 188 CO 0.00 1.04 0.48 0.28 -0.00 0.00 0.00 178.16 179.97 2wc3 h VAL 189 N -0.16 1.09 -0.61 -2.88 2.07 -1.81 -1.83 116.25 112.11 2wc3 h VAL 189 Ca -0.05 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.16 2wc3 h VAL 189 Cb 1.14 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2wc3 h VAL 189 CO 0.09 0.17 0.40 0.00 0.02 0.00 0.00 177.57 178.25 2wc3 h ALA 190 N 1.33 0.78 0.00 1.67 0.00 -1.02 0.34 119.26 122.37 2wc3 h ALA 190 Ca 0.31 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 2wc3 h ALA 190 Cb 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2wc3 h ALA 190 CO -0.12 0.22 -0.53 0.74 0.00 0.00 0.00 179.25 179.55 2wc3 h PHE 191 N 0.83 0.00 -0.51 0.00 0.04 -1.27 -1.62 116.94 114.42 2wc3 h PHE 191 Ca 0.22 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.87 2wc3 h PHE 191 Cb -0.09 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 2wc3 h PHE 191 CO -0.03 0.53 -0.16 0.00 -0.60 0.00 0.00 178.31 178.05 2wc3 h ARG 192 N 0.00 1.02 -0.47 1.51 3.08 -0.93 -2.29 114.38 116.29 2wc3 h ARG 192 Ca -0.01 -0.41 0.09 0.00 0.07 0.00 0.00 59.98 59.73 2wc3 h ARG 192 Cb 1.16 -0.05 -0.10 0.00 0.08 0.00 0.00 29.97 31.07 2wc3 h ARG 192 CO 0.07 1.09 -0.26 0.00 -1.07 0.00 0.00 179.97 179.80 2wc3 h ALA 193 N 0.89 0.02 -0.36 0.04 0.00 -0.61 0.28 119.26 119.53 2wc3 h ALA 193 Ca 0.12 0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.25 2wc3 h ALA 193 Cb 0.74 0.62 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 2wc3 h ALA 193 CO 0.06 -0.62 -0.08 0.28 0.00 0.00 0.00 179.25 178.89 2wc3 h VAL 194 N -0.16 0.65 -0.46 0.00 2.07 -1.13 0.70 116.25 117.92 2wc3 h VAL 194 Ca 0.21 -0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.59 2wc3 h VAL 194 Cb 0.50 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2wc3 h VAL 194 CO -0.56 0.00 -0.25 -0.74 0.02 0.00 0.00 177.57 176.04 2wc3 h HIS 195 N 0.01 1.12 -0.39 1.57 6.17 -0.93 -2.37 115.15 120.34 2wc3 h HIS 195 Ca 0.17 -0.28 -0.09 0.00 0.71 0.00 0.00 60.37 60.88 2wc3 h HIS 195 Cb 0.26 -0.26 -0.02 0.00 2.52 0.00 0.00 27.41 29.92 2wc3 h HIS 195 CO -0.32 1.10 -0.11 -0.91 0.71 0.00 0.00 177.93 178.40 2wc3 h ASN 196 N 0.83 0.68 -0.17 3.26 2.35 -0.13 -1.93 115.58 120.45 2wc3 h ASN 196 Ca 0.10 -0.19 0.03 0.00 -0.55 0.00 0.00 56.30 55.68 2wc3 h ASN 196 Cb 0.83 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 2wc3 h ASN 196 CO 0.07 0.82 0.02 -0.07 -1.65 0.00 0.00 177.43 176.62 2wc3 h LEU 197 N 0.63 -0.03 -0.28 1.61 3.38 -0.66 0.14 115.31 120.10 2wc3 h LEU 197 Ca 0.11 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.14 2wc3 h LEU 197 Cb 0.56 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2wc3 h LEU 197 CO 0.03 0.01 0.09 -0.07 0.09 0.00 0.00 178.44 178.60 2wc3 h LEU 198 N 0.08 0.10 -1.26 1.67 3.38 -1.36 -0.23 115.31 117.69 2wc3 h LEU 198 Ca 0.08 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2wc3 h LEU 198 Cb 0.09 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2wc3 h LEU 198 CO -0.12 0.09 0.24 0.03 0.09 0.00 0.00 178.44 178.77 2wc3 h ARG 199 N 0.22 0.75 -0.19 1.13 3.08 -0.97 -0.79 114.38 117.61 2wc3 h ARG 199 Ca 0.12 -0.10 -0.21 0.00 0.07 0.00 0.00 59.98 59.87 2wc3 h ARG 199 Cb 0.10 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2wc3 h ARG 199 CO -0.13 0.59 -0.69 0.00 -1.07 0.00 0.00 179.97 178.67 2wc3 h ALA 200 N 1.52 0.41 0.09 0.04 0.00 -0.30 -1.82 119.26 119.20 2wc3 h ALA 200 Ca 0.18 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 54.54 2wc3 h ALA 200 Cb 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2wc3 h ALA 200 CO -0.02 0.69 -0.16 1.25 0.00 0.00 0.00 179.25 181.00 2wc3 h HIS 201 N 0.55 -0.43 -0.70 0.00 -0.00 -0.74 -0.78 115.15 113.05 2wc3 h HIS 201 Ca -0.03 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.33 2wc3 h HIS 201 Cb 1.30 0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 28.86 2wc3 h HIS 201 CO 0.08 -0.24 0.36 0.00 -0.00 0.00 0.00 177.93 178.12 2wc3 h ALA 202 N 0.54 1.33 -0.36 5.26 0.00 -1.05 -0.43 119.26 124.55 2wc3 h ALA 202 Ca 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2wc3 h ALA 202 Cb 0.34 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2wc3 h ALA 202 CO -0.10 0.54 0.12 0.00 0.00 0.00 0.00 179.25 179.81 2wc3 h ARG 203 N 0.98 0.55 -0.35 0.00 2.47 -1.06 -1.56 114.38 115.41 2wc3 h ARG 203 Ca 0.24 -0.11 -0.00 0.00 -1.26 0.00 0.00 59.98 58.85 2wc3 h ARG 203 Cb 0.06 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 2wc3 h ARG 203 CO -0.04 0.56 0.20 0.00 0.56 0.00 0.00 179.97 181.26 2wc3 h ALA 204 N 0.96 0.44 -0.90 0.04 0.00 -0.43 -1.89 119.26 117.49 2wc3 h ALA 204 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2wc3 h ALA 204 Cb 0.23 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2wc3 h ALA 204 CO -0.01 -0.05 0.57 0.28 0.00 0.00 0.00 179.25 180.05 2wc3 h VAL 205 N 0.44 1.24 -0.61 0.00 2.07 -0.86 -0.13 116.25 118.41 2wc3 h VAL 205 Ca 0.12 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.18 2wc3 h VAL 205 Cb 0.03 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.71 2wc3 h VAL 205 CO -0.02 0.24 0.40 0.50 0.02 0.00 0.00 177.57 178.71 2wc3 h LYS 206 N 1.23 0.79 -0.06 1.57 3.64 -1.12 -2.02 116.57 120.60 2wc3 h LYS 206 Ca 0.33 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.55 2wc3 h LYS 206 Cb -0.10 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 2wc3 h LYS 206 CO -0.07 0.52 -0.46 0.28 -2.27 0.00 0.00 179.45 177.45 2wc3 h VAL 207 N 0.81 1.33 -0.24 2.00 2.07 -0.89 -2.96 116.25 118.37 2wc3 h VAL 207 Ca 0.23 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.13 2wc3 h VAL 207 Cb -0.07 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2wc3 h VAL 207 CO -0.06 0.48 0.15 0.15 0.02 0.00 0.00 177.57 178.31 2wc3 h PHE 208 N 0.12 0.30 0.00 1.57 3.57 -0.54 -2.21 116.94 119.76 2wc3 h PHE 208 Ca 0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2wc3 h PHE 208 Cb 0.86 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 2wc3 h PHE 208 CO 0.01 0.21 -0.01 0.00 -2.23 0.00 0.00 178.31 176.29 2wc3 h ARG 209 N 0.31 0.00 0.10 1.11 2.47 -1.21 0.36 114.38 117.52 2wc3 h ARG 209 Ca 0.09 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.54 2wc3 h ARG 209 Cb -0.01 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.32 2wc3 h ARG 209 CO -0.02 0.01 -1.17 0.93 0.56 0.00 0.00 179.97 180.28 2wc3 h GLU 210 N 0.00 0.36 0.00 0.04 5.08 -1.40 -3.42 114.58 115.24 2wc3 h GLU 210 Ca -0.00 -0.52 -0.34 0.00 -1.00 0.00 0.00 59.36 57.50 2wc3 h GLU 210 Cb 0.08 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 2wc3 h GLU 210 CO 0.00 1.21 -2.12 0.25 -1.00 0.00 0.00 179.01 177.36 2wc3 n THR 211 N -3.63 1.39 -3.43 1.13 -2.24 0.69 -4.83 114.28 103.36 2wc3 n THR 211 Ca -0.09 -0.25 -0.44 0.00 -2.27 0.00 0.00 64.05 61.00 2wc3 n THR 211 Cb 0.97 -1.92 -0.04 0.00 -2.10 0.00 0.00 70.33 67.24 2wc3 n THR 211 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wc3 s VAL 212 N -2.53 5.10 -0.16 2.28 1.01 0.94 -4.92 120.40 122.12 2wc3 s VAL 212 Ca -0.33 -2.57 0.25 0.00 0.00 0.00 0.00 61.98 59.33 2wc3 s VAL 212 Cb 0.12 -4.19 0.30 0.00 0.00 0.00 0.00 36.38 32.61 2wc3 s VAL 212 CO 0.43 -0.98 1.73 0.11 0.00 0.00 0.00 175.10 176.39 2wc3 h LYS 213 N 7.62 0.00 -0.56 2.72 1.79 -1.83 -3.14 116.57 123.16 2wc3 h LYS 213 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2wc3 h LYS 213 Cb 1.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 2wc3 h LYS 213 CO 0.75 0.10 0.00 -0.40 -1.08 0.00 0.00 179.45 178.82 2wc3 n ASP 214 N -3.16 3.71 -4.97 0.86 5.75 -1.26 -5.02 116.55 112.47 2wc3 n ASP 214 Ca 0.02 -1.99 -0.21 0.00 -0.01 0.00 0.00 54.79 52.59 2wc3 n ASP 214 Cb 0.48 -0.37 -0.02 0.00 -1.03 0.00 0.00 41.12 40.18 2wc3 n ASP 214 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2wc3 s GLY 215 N -1.23 1.28 -0.10 6.12 0.00 -1.19 -5.00 107.32 107.20 2wc3 s GLY 215 Ca 0.44 -1.18 -0.02 0.00 0.00 0.00 0.00 44.72 43.96 2wc3 s GLY 215 CO 0.32 -1.17 -0.02 0.54 0.00 0.00 0.00 173.10 172.77 2wc3 s LYS 216 N -4.08 3.13 -0.04 2.90 3.01 0.62 -5.02 119.74 120.27 2wc3 s LYS 216 Ca 0.36 -0.47 0.02 0.00 -1.01 0.00 0.00 55.97 54.88 2wc3 s LYS 216 Cb -0.09 -2.79 0.01 0.00 -1.01 0.00 0.00 37.83 33.95 2wc3 s LYS 216 CO 0.31 0.56 -0.10 -1.50 0.51 0.00 0.00 175.35 175.14 2wc3 s ILE 217 N -0.51 0.87 0.00 2.17 2.07 -1.26 -0.58 121.20 123.96 2wc3 s ILE 217 Ca 0.08 -0.37 0.00 0.00 -1.41 0.00 0.00 60.65 58.95 2wc3 s ILE 217 Cb -0.12 -0.80 0.00 0.00 0.13 0.00 0.00 42.46 41.68 2wc3 s ILE 217 CO 0.02 0.28 0.00 0.61 -1.91 0.00 0.00 174.94 173.94 2wc3 n GLY 218 N 3.54 5.33 3.51 1.50 0.00 0.93 -1.84 105.19 118.16 2wc3 n GLY 218 Ca -0.21 -1.41 -0.16 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.59 0.01 -0.08 -0.61 2.07 -1.24 -1.17 121.20 119.59 2wc3 s ILE 219 Ca 0.00 -0.05 0.03 0.00 -1.41 0.00 0.00 60.65 59.22 2wc3 s ILE 219 Cb 0.00 -0.92 -0.02 0.00 0.13 0.00 0.00 42.46 41.65 2wc3 s ILE 219 CO 0.00 -0.03 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.17 2wc3 s VAL 220 N -0.55 2.99 -0.01 4.00 1.01 -0.77 -1.04 120.40 126.03 2wc3 s VAL 220 Ca -0.07 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.24 2wc3 s VAL 220 Cb -0.02 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 2wc3 s VAL 220 CO 0.06 0.57 -0.17 -0.36 0.00 0.00 0.00 175.10 175.20 2wc3 s PHE 221 N -0.33 1.49 0.63 5.22 0.08 -0.69 -0.25 117.98 124.13 2wc3 s PHE 221 Ca 0.03 -0.29 -0.14 0.00 0.12 0.00 0.00 56.93 56.64 2wc3 s PHE 221 Cb -0.13 -0.95 -0.02 0.00 -0.57 0.00 0.00 43.02 41.36 2wc3 s PHE 221 CO 0.02 -0.01 1.06 0.54 -0.10 0.00 0.00 175.22 176.73 2wc3 s ASN 222 N -0.49 5.58 -0.26 1.36 4.22 -1.26 -0.21 114.94 123.87 2wc3 s ASN 222 Ca 0.06 1.79 -0.21 0.00 -2.14 0.00 0.00 52.86 52.36 2wc3 s ASN 222 Cb -0.07 -2.53 0.07 0.00 1.28 0.00 0.00 41.25 40.01 2wc3 s ASN 222 CO -0.00 -1.31 0.68 0.20 -2.04 0.00 0.00 177.10 174.63 2wc3 s ASN 223 N -3.02 -0.77 0.19 3.54 0.01 -1.16 -4.08 114.94 109.64 2wc3 s ASN 223 Ca 0.62 1.40 0.09 0.00 -0.71 0.00 0.00 52.86 54.27 2wc3 s ASN 223 Cb -0.16 1.38 -0.04 0.00 0.41 0.00 0.00 41.25 42.83 2wc3 s ASN 223 CO 0.42 -0.24 -0.11 -0.83 -1.51 0.00 0.00 177.10 174.83 2wc3 s GLY 224 N 0.74 1.73 -0.54 0.66 0.00 -1.26 -4.28 107.32 104.36 2wc3 s GLY 224 Ca -0.03 -1.50 -0.20 0.00 0.00 0.00 0.00 44.72 42.98 2wc3 s GLY 224 CO -0.05 -1.53 0.72 -0.47 0.00 0.00 0.00 173.10 171.78 2wc3 s TYR 225 N -1.73 2.96 -0.17 1.90 5.04 -0.84 -4.95 117.35 119.56 2wc3 s TYR 225 Ca 0.25 -0.50 -0.15 0.00 -2.44 0.00 0.00 57.07 54.23 2wc3 s TYR 225 Cb -0.09 -3.76 -0.04 0.00 0.35 0.00 0.00 41.96 38.42 2wc3 s TYR 225 CO 0.15 -1.18 0.33 -0.06 -1.34 0.00 0.00 175.55 173.45 2wc3 s PHE 226 N 3.00 3.44 0.06 4.97 0.08 -1.26 -0.73 117.98 127.54 2wc3 s PHE 226 Ca 0.18 0.61 0.07 0.00 0.12 0.00 0.00 56.93 57.91 2wc3 s PHE 226 Cb -0.18 -2.40 -0.03 0.00 -0.57 0.00 0.00 43.02 39.84 2wc3 s PHE 226 CO 0.12 0.17 -0.20 -1.21 -0.10 0.00 0.00 175.22 174.00 2wc3 s GLU 227 N 0.70 1.23 0.40 0.44 2.02 -0.68 -4.98 118.70 117.83 2wc3 s GLU 227 Ca 0.18 -1.00 -0.24 0.00 0.02 0.00 0.00 54.97 53.93 2wc3 s GLU 227 Cb -0.14 -1.39 -0.09 0.00 0.10 0.00 0.00 34.13 32.62 2wc3 s GLU 227 CO 0.05 0.34 1.06 -1.25 0.02 0.00 0.00 175.26 175.49 2wc3 s PRO 228 N -1.44 4.15 0.51 0.39 0.04 -1.26 -0.30 135.00 137.09 2wc3 s PRO 228 Ca 0.06 1.55 0.27 0.00 0.04 0.00 0.00 61.00 62.93 2wc3 s PRO 228 Cb -0.09 -2.56 1.33 0.00 0.04 0.00 0.00 34.50 33.22 2wc3 s PRO 228 CO 0.03 -0.16 2.01 0.00 0.04 0.00 0.00 177.00 178.91 2wc3 h ALA 229 N 2.52 1.17 -2.54 8.56 0.00 -0.97 -3.44 119.26 124.57 2wc3 h ALA 229 Ca -0.48 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 2wc3 h ALA 229 Cb 1.22 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2wc3 h ALA 229 CO 0.62 0.17 0.08 -1.13 0.00 0.00 0.00 179.25 179.00 2wc3 n SER 230 N -3.51 -0.85 -0.92 0.00 3.41 -1.26 -5.05 113.62 105.44 2wc3 n SER 230 Ca -0.01 -1.66 0.12 0.00 -0.26 0.00 0.00 58.87 57.06 2wc3 n SER 230 Cb 0.29 1.43 0.25 0.00 -0.26 0.00 0.00 64.21 65.92 2wc3 n SER 230 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wc3 n GLU 231 N -0.22 2.23 -1.68 4.33 1.02 -1.26 -4.57 120.64 120.50 2wc3 n GLU 231 Ca -0.03 -1.83 -0.44 0.00 -0.02 0.00 0.00 57.16 54.83 2wc3 n GLU 231 Cb 0.24 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.16 2wc3 n GLU 231 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wc3 n LYS 232 N 1.09 2.06 -0.34 3.49 4.76 -1.26 -4.82 118.16 123.14 2wc3 n LYS 232 Ca 0.18 0.73 0.24 0.00 -2.87 0.00 0.00 58.31 56.59 2wc3 n LYS 232 Cb 0.52 -2.39 0.52 0.00 -1.84 0.00 0.00 35.03 31.84 2wc3 n LYS 232 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2wc3 h GLU 233 N 4.12 0.35 -0.40 1.97 5.08 -1.99 0.13 114.58 123.85 2wc3 h GLU 233 Ca -0.45 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 57.80 2wc3 h GLU 233 Cb 1.27 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 2wc3 h GLU 233 CO 0.75 0.23 -0.12 1.05 -1.00 0.00 0.00 179.01 179.92 2wc3 h GLU 234 N 0.36 0.70 0.07 2.33 9.09 -1.97 0.96 114.58 126.12 2wc3 h GLU 234 Ca 0.63 -0.23 -0.21 0.00 0.05 0.00 0.00 59.36 59.60 2wc3 h GLU 234 Cb 1.64 -0.06 0.02 0.00 -1.65 0.00 0.00 28.75 28.70 2wc3 h GLU 234 CO -0.33 0.80 -0.88 -0.44 0.05 0.00 0.00 179.01 178.21 2wc3 h ASP 235 N 0.64 0.65 -0.79 3.06 3.45 -1.12 0.11 116.42 122.41 2wc3 h ASP 235 Ca 0.11 -0.83 0.07 0.00 0.43 0.00 0.00 57.03 56.82 2wc3 h ASP 235 Cb 0.57 -0.20 -0.06 0.00 -0.56 0.00 0.00 39.33 39.07 2wc3 h ASP 235 CO 0.04 1.40 0.47 0.40 -1.57 0.00 0.00 179.24 179.98 2wc3 h ILE 236 N -0.02 0.98 -0.35 0.35 2.04 -1.07 -0.36 117.51 119.08 2wc3 h ILE 236 Ca -0.13 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.44 2wc3 h ILE 236 Cb 1.60 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2wc3 h ILE 236 CO 0.17 0.15 0.22 -0.09 0.00 0.00 0.00 178.15 178.60 2wc3 h ARG 237 N 0.84 0.46 -0.65 2.37 9.65 -0.69 -2.39 114.38 123.97 2wc3 h ARG 237 Ca 0.36 -0.03 0.11 0.00 -1.10 0.00 0.00 59.98 59.31 2wc3 h ARG 237 Cb 0.23 -0.10 -0.08 0.00 -1.39 0.00 0.00 29.97 28.63 2wc3 h ARG 237 CO -0.20 0.33 0.23 0.00 2.80 0.00 0.00 179.97 183.13 2wc3 h ALA 238 N 1.11 0.85 -0.23 2.80 0.00 0.86 -0.12 119.26 124.53 2wc3 h ALA 238 Ca 0.13 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2wc3 h ALA 238 Cb -0.03 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2wc3 h ALA 238 CO -0.03 -0.21 0.12 0.28 0.00 0.00 0.00 179.25 179.42 2wc3 h VAL 239 N 0.40 1.01 -0.68 0.00 2.07 -1.22 -1.60 116.25 116.22 2wc3 h VAL 239 Ca 0.34 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.83 2wc3 h VAL 239 Cb 0.46 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 2wc3 h VAL 239 CO -0.35 0.05 0.38 -0.09 0.02 0.00 0.00 177.57 177.57 2wc3 h ARG 240 N 0.26 0.67 -0.70 1.57 2.43 -0.66 0.98 114.38 118.94 2wc3 h ARG 240 Ca 0.09 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 2wc3 h ARG 240 Cb 0.01 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 2wc3 h ARG 240 CO -0.05 0.44 0.20 0.35 -1.51 0.00 0.00 179.97 179.39 2wc3 h PHE 241 N 0.69 1.15 -0.18 2.20 3.57 -0.70 -0.85 116.94 122.82 2wc3 h PHE 241 Ca 0.31 -0.12 -0.14 0.00 3.53 0.00 0.00 57.97 61.55 2wc3 h PHE 241 Cb 0.20 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 2wc3 h PHE 241 CO -0.08 0.92 -0.48 0.52 -2.23 0.00 0.00 178.31 176.96 2wc3 h MET 242 N 1.05 0.48 -0.31 1.11 2.86 -0.25 -0.58 114.93 119.29 2wc3 h MET 242 Ca 0.23 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2wc3 h MET 242 Cb 0.33 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 2wc3 h MET 242 CO -0.00 0.86 0.21 1.25 1.06 0.00 0.00 176.91 180.28 2wc3 h HIS 243 N 0.38 0.40 0.00 -0.22 -0.00 -0.59 0.35 115.15 115.46 2wc3 h HIS 243 Ca 0.02 0.01 -0.13 0.00 -0.00 0.00 0.00 60.37 60.27 2wc3 h HIS 243 Cb 0.99 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 28.24 2wc3 h HIS 243 CO 0.03 0.25 -0.63 1.96 -0.00 0.00 0.00 177.93 179.55 2wc3 h GLN 244 N 0.43 0.00 0.02 5.26 4.20 -0.55 -2.41 115.11 122.06 2wc3 h GLN 244 Ca 0.12 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.47 2wc3 h GLN 244 Cb -0.05 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.68 2wc3 h GLN 244 CO -0.02 0.63 -1.99 0.34 -0.67 0.00 0.00 178.83 177.11 2wc3 n PHE 245 N -3.68 0.60 0.02 2.96 7.35 -0.28 -2.32 117.46 122.11 2wc3 n PHE 245 Ca -0.01 0.20 0.03 0.00 -0.76 0.00 0.00 57.45 56.92 2wc3 n PHE 245 Cb 0.64 -1.07 -0.09 0.00 0.35 0.00 0.00 39.48 39.32 2wc3 n PHE 245 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2wc3 n ASN 246 N -4.01 0.58 -1.89 -2.13 2.85 0.11 -4.67 115.26 106.10 2wc3 n ASN 246 Ca -0.41 0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.30 2wc3 n ASN 246 Cb 0.87 0.69 0.00 0.00 1.24 0.00 0.00 39.78 42.58 2wc3 n ASN 246 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2wc3 n ASN 247 N -2.70 0.04 0.22 1.20 3.02 -0.91 -4.51 115.26 111.62 2wc3 n ASN 247 Ca -0.09 -0.95 0.17 0.00 -0.03 0.00 0.00 54.58 53.68 2wc3 n ASN 247 Cb 0.76 0.00 0.85 0.00 -0.61 0.00 0.00 39.78 40.78 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 0.02 0.00 -0.63 3.10 -0.00 -1.79 -3.06 116.97 114.60 2wc3 h TYR 248 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 58.73 58.85 2wc3 h TYR 248 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 36.69 2wc3 h TYR 248 CO 0.00 0.00 0.43 -1.35 -0.00 0.00 0.00 178.16 177.24 2wc3 h PRO 249 N 0.00 0.36 -0.71 0.10 0.11 -1.79 0.58 132.00 130.65 2wc3 h PRO 249 Ca 0.07 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.28 2wc3 h PRO 249 Cb 0.42 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.40 2wc3 h PRO 249 CO -0.00 0.24 0.47 1.25 -0.21 0.00 0.00 178.00 179.75 2wc3 h LEU 250 N 0.37 0.42 0.00 2.35 5.85 -1.35 0.17 115.31 123.12 2wc3 h LEU 250 Ca 0.30 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.95 2wc3 h LEU 250 Cb 0.66 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 2wc3 h LEU 250 CO -0.08 0.23 -1.70 0.49 -0.34 0.00 0.00 178.44 177.04 2wc3 n PHE 251 N -4.48 0.00 0.08 1.25 3.72 -0.64 -4.41 117.46 112.99 2wc3 n PHE 251 Ca 0.13 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.44 2wc3 n PHE 251 Cb 0.45 -0.42 -0.08 0.00 -0.94 0.00 0.00 39.48 38.48 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 0.16 -0.10 4.37 3.38 0.58 -1.72 115.31 121.97 2wc3 h LEU 252 Ca -0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2wc3 h LEU 252 Cb 1.06 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 2wc3 h LEU 252 CO 0.01 1.06 0.04 -1.13 0.09 0.00 0.00 178.44 178.51 2wc3 h ASN 253 N 0.04 0.14 -0.66 -0.43 -1.24 -1.18 0.24 115.58 112.49 2wc3 h ASN 253 Ca -0.05 -0.15 0.03 0.00 0.71 0.00 0.00 56.30 56.85 2wc3 h ASN 253 Cb 1.71 -0.04 -0.04 0.00 0.73 0.00 0.00 38.32 40.68 2wc3 h ASN 253 CO 0.14 0.25 0.41 -0.65 -1.29 0.00 0.00 177.43 176.29 2wc3 h PRO 254 N 0.02 0.76 -0.43 6.67 0.11 -1.09 0.31 132.00 138.35 2wc3 h PRO 254 Ca 0.03 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.96 2wc3 h PRO 254 Cb 0.15 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 2wc3 h PRO 254 CO -0.00 0.51 -0.27 0.82 -0.21 0.00 0.00 178.00 178.84 2wc3 h ILE 255 N 0.79 1.27 0.00 4.15 2.04 -0.80 -2.03 117.51 122.93 2wc3 h ILE 255 Ca 0.27 -1.43 -0.27 0.00 1.00 0.00 0.00 64.86 64.43 2wc3 h ILE 255 Cb 0.05 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 2wc3 h ILE 255 CO -0.12 0.48 -2.14 -1.22 0.00 0.00 0.00 178.15 175.15 2wc3 n TYR 256 N -4.09 0.21 -0.10 1.37 4.01 0.81 -4.27 117.16 115.09 2wc3 n TYR 256 Ca -0.01 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 2wc3 n TYR 256 Cb 0.48 -0.94 0.00 0.00 -0.31 0.00 0.00 39.34 38.57 2wc3 n TYR 256 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2wc3 n ARG 257 N -2.71 0.50 -0.98 -0.72 1.74 0.10 -5.03 116.66 109.56 2wc3 n ARG 257 Ca -0.24 -0.82 0.00 0.00 -0.77 0.00 0.00 57.85 56.02 2wc3 n ARG 257 Cb 1.01 -0.95 0.00 0.00 -1.02 0.00 0.00 32.46 31.50 2wc3 n ARG 257 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wc3 n GLY 258 N -0.18 0.47 3.53 -0.13 0.00 -0.76 -4.93 105.19 103.19 2wc3 n GLY 258 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.14 -0.11 0.63 1.61 -1.08 -1.23 -4.81 116.67 109.54 2wc3 s ASP 259 Ca 0.00 -0.80 -0.15 0.00 -0.52 0.00 0.00 52.55 51.08 2wc3 s ASP 259 Cb 0.00 0.56 -0.02 0.00 -1.46 0.00 0.00 42.92 42.00 2wc3 s ASP 259 CO 0.00 -1.07 1.08 -0.31 0.52 0.00 0.00 175.17 175.38 2wc3 s TYR 260 N -3.97 2.86 0.84 -5.34 2.02 -1.26 -1.04 117.35 111.46 2wc3 s TYR 260 Ca 0.18 1.52 -0.12 0.00 -0.37 0.00 0.00 57.07 58.28 2wc3 s TYR 260 Cb -0.00 -3.06 0.10 0.00 -0.40 0.00 0.00 41.96 38.60 2wc3 s TYR 260 CO 0.04 -1.34 1.19 -1.25 -1.57 0.00 0.00 175.55 172.62 2wc3 s PRO 261 N -4.15 1.43 0.10 -1.71 0.04 -1.26 -4.75 135.00 124.70 2wc3 s PRO 261 Ca 0.64 1.71 -0.26 0.00 0.04 0.00 0.00 61.00 63.13 2wc3 s PRO 261 Cb -0.18 -1.76 -0.13 0.00 0.04 0.00 0.00 34.50 32.48 2wc3 s PRO 261 CO 0.40 -2.36 1.69 1.49 0.04 0.00 0.00 177.00 178.26 2wc3 h GLU 262 N -1.20 -0.29 0.00 4.56 4.81 -1.97 -1.91 114.58 118.59 2wc3 h GLU 262 Ca -0.45 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 58.71 2wc3 h GLU 262 Cb 1.29 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.72 2wc3 h GLU 262 CO 0.45 -0.19 -0.42 -0.07 -0.73 0.00 0.00 179.01 178.04 2wc3 h LEU 263 N -0.30 0.00 -0.10 1.64 3.38 -1.96 -1.85 115.31 116.12 2wc3 h LEU 263 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 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 -0.03 0.42 0.04 0.58 0.09 0.00 0.00 178.44 179.55 2wc3 h VAL 264 N 0.00 1.14 -0.44 1.22 2.07 -1.80 -2.61 116.25 115.82 2wc3 h VAL 264 Ca -0.00 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 2wc3 h VAL 264 Cb 0.88 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 2wc3 h VAL 264 CO 0.06 0.12 0.09 -0.07 0.02 0.00 0.00 177.57 177.79 2wc3 h LEU 265 N 0.01 0.62 -1.93 2.57 3.38 -0.99 0.28 115.31 119.24 2wc3 h LEU 265 Ca 0.03 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2wc3 h LEU 265 Cb 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2wc3 h LEU 265 CO -0.00 0.63 0.09 -0.33 0.09 0.00 0.00 178.44 178.92 2wc3 h GLU 266 N 0.65 0.09 0.00 1.13 5.08 -1.15 -1.52 114.58 118.86 2wc3 h GLU 266 Ca 0.15 -0.01 -0.38 0.00 -1.00 0.00 0.00 59.36 58.12 2wc3 h GLU 266 Cb 0.27 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 2wc3 h GLU 266 CO -0.00 0.06 -2.42 0.34 -1.00 0.00 0.00 179.01 175.98 2wc3 n PHE 267 N -4.51 0.05 -0.51 4.33 7.35 -0.56 -4.61 117.46 119.00 2wc3 n PHE 267 Ca -0.00 0.01 0.04 0.00 -0.76 0.00 0.00 57.45 56.74 2wc3 n PHE 267 Cb 0.15 -1.01 0.06 0.00 0.35 0.00 0.00 39.48 39.03 2wc3 n PHE 267 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wc3 n ALA 268 N -3.06 2.08 -0.19 3.13 0.00 0.88 -4.67 120.51 118.67 2wc3 n ALA 268 Ca -0.41 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 51.37 2wc3 n ALA 268 Cb 1.05 -0.17 0.09 0.00 0.00 0.00 0.00 19.45 20.42 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 0.10 -0.13 0.00 2.43 -1.42 -1.34 114.38 114.02 2wc3 h ARG 269 Ca 0.00 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 2wc3 h ARG 269 Cb 0.74 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 2wc3 h ARG 269 CO 0.00 0.06 0.12 0.93 -1.51 0.00 0.00 179.97 179.57 2wc3 h GLU 270 N 0.10 0.00 0.00 0.20 3.07 -1.86 -2.82 114.58 113.27 2wc3 h GLU 270 Ca 0.30 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.01 2wc3 h GLU 270 Cb 0.49 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.37 2wc3 h GLU 270 CO -0.52 0.00 -1.59 0.66 -1.40 0.00 0.00 179.01 176.16 2wc3 n TYR 271 N -4.06 0.72 -1.56 4.33 4.01 -0.55 -4.91 117.16 115.14 2wc3 n TYR 271 Ca 0.00 0.24 -0.33 0.00 -0.16 0.00 0.00 57.90 57.65 2wc3 n TYR 271 Cb 0.23 -0.99 0.07 0.00 -0.31 0.00 0.00 39.34 38.34 2wc3 n TYR 271 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2wc3 s LEU 272 N -5.53 3.30 0.55 7.72 1.43 -0.96 -4.37 118.68 120.81 2wc3 s LEU 272 Ca -0.04 2.08 -0.20 0.00 -1.03 0.00 0.00 54.13 54.93 2wc3 s LEU 272 Cb 0.09 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.70 2wc3 s LEU 272 CO 0.83 -1.92 1.21 -2.84 0.23 0.00 0.00 176.35 173.85 2wc3 s PRO 273 N -4.18 3.23 0.18 1.29 0.02 -1.26 -4.92 135.00 129.35 2wc3 s PRO 273 Ca 0.68 1.83 -0.14 0.00 0.02 0.00 0.00 61.00 63.40 2wc3 s PRO 273 Cb -0.22 -2.09 0.15 0.00 0.02 0.00 0.00 34.50 32.36 2wc3 s PRO 273 CO 0.45 -1.00 1.74 1.49 -0.33 0.00 0.00 177.00 179.34 2wc3 h GLU 274 N 1.26 0.28 -0.89 5.54 4.57 -1.93 -2.42 114.58 120.99 2wc3 h GLU 274 Ca -0.50 -0.02 -0.31 0.00 -1.18 0.00 0.00 59.36 57.35 2wc3 h GLU 274 Cb 1.28 -0.06 -0.19 0.00 -0.16 0.00 0.00 28.75 29.62 2wc3 h GLU 274 CO 0.57 0.18 0.40 0.27 -1.18 0.00 0.00 179.01 179.25 2wc3 n ASN 275 N -5.05 4.11 0.00 1.04 2.04 -1.26 -4.65 115.26 111.49 2wc3 n ASN 275 Ca 0.04 -3.22 0.06 0.00 -0.44 0.00 0.00 54.58 51.03 2wc3 n ASN 275 Cb 0.20 -0.75 0.46 0.00 -2.53 0.00 0.00 39.78 37.15 2wc3 n ASN 275 CO 0.00 0.00 0.00 0.10 -0.44 0.00 0.00 177.26 176.92 2wc3 h TYR 276 N 1.67 0.46 0.00 -2.53 -0.00 -1.81 -1.09 116.97 113.67 2wc3 h TYR 276 Ca 0.38 0.01 0.00 0.00 0.00 0.00 0.00 58.73 59.12 2wc3 h TYR 276 Cb 2.37 -0.15 0.00 0.00 0.00 0.00 0.00 36.73 38.95 2wc3 h TYR 276 CO 1.25 0.28 0.00 -0.22 -0.00 0.00 0.00 178.16 179.47 2wc3 h LYS 277 N 0.48 0.00 -0.00 0.10 3.64 -1.85 0.20 116.57 119.14 2wc3 h LYS 277 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2wc3 h LYS 277 Cb 0.06 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2wc3 h LYS 277 CO -0.04 0.00 0.00 -0.44 -2.27 0.00 0.00 179.45 176.70 2wc3 h ASP 278 N 0.00 0.00 0.25 4.20 3.32 -1.58 -2.74 116.42 119.88 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 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2wc3 h ASP 278 CO 0.00 0.00 -0.68 0.47 -1.72 0.00 0.00 179.24 177.31 2wc3 n ASP 279 N -3.59 0.82 0.22 6.45 8.00 0.06 -4.43 116.55 124.08 2wc3 n ASP 279 Ca -0.03 -0.66 0.06 0.00 0.71 0.00 0.00 54.79 54.86 2wc3 n ASP 279 Cb 0.08 0.55 0.52 0.00 -0.02 0.00 0.00 41.12 42.25 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 0.22 0.02 -0.07 -1.24 2.86 -1.59 -1.12 114.93 114.01 2wc3 h MET 280 Ca 0.00 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2wc3 h MET 280 Cb 0.51 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 2wc3 h MET 280 CO 0.00 0.16 0.01 0.66 1.06 0.00 0.00 176.91 178.80 2wc3 h SER 281 N 0.02 0.12 -1.00 1.22 4.64 -1.78 -2.70 113.55 114.07 2wc3 h SER 281 Ca 0.00 -0.27 0.06 0.00 -0.47 0.00 0.00 61.79 61.11 2wc3 h SER 281 Cb 0.26 -0.03 -0.07 0.00 -0.31 0.00 0.00 62.40 62.25 2wc3 h SER 281 CO 0.02 0.36 0.65 -0.33 -0.87 0.00 0.00 176.83 176.66 2wc3 h GLU 282 N -0.12 1.15 0.00 4.77 5.08 -1.74 -2.82 114.58 120.90 2wc3 h GLU 282 Ca 0.02 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2wc3 h GLU 282 Cb 0.29 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2wc3 h GLU 282 CO 0.00 0.76 -0.10 0.82 -1.00 0.00 0.00 179.01 179.50 2wc3 h ILE 283 N 1.19 0.69 0.00 3.13 2.04 -1.00 -2.46 117.51 121.10 2wc3 h ILE 283 Ca 0.43 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2wc3 h ILE 283 Cb 0.14 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2wc3 h ILE 283 CO -0.16 0.09 0.00 0.00 0.00 0.00 0.00 178.15 178.08 2wc3 n GLN 284 N -3.87 0.84 -1.57 2.37 6.02 -1.04 -4.65 117.38 115.48 2wc3 n GLN 284 Ca -0.02 0.00 -0.56 0.00 -0.01 0.00 0.00 57.00 56.41 2wc3 n GLN 284 Cb 0.19 -1.06 -0.07 0.00 1.02 0.00 0.00 30.24 30.32 2wc3 n GLN 284 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2wc3 n GLU 285 N -0.56 0.65 -2.13 -1.09 4.07 -0.93 -4.78 120.64 115.87 2wc3 n GLU 285 Ca 0.02 0.24 -0.41 0.00 -0.06 0.00 0.00 57.16 56.95 2wc3 n GLU 285 Cb 0.01 -1.82 -0.02 0.00 -0.06 0.00 0.00 31.44 29.55 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 0.60 4.35 0.25 5.31 2.36 -1.26 -5.02 119.74 126.33 2wc3 s LYS 286 Ca 0.89 2.18 0.09 0.00 -2.55 0.00 0.00 55.97 56.58 2wc3 s LYS 286 Cb -1.11 -3.12 -0.04 0.00 -1.05 0.00 0.00 37.83 32.51 2wc3 s LYS 286 CO 0.53 -0.25 0.01 0.96 1.55 0.00 0.00 175.35 178.15 2wc3 s ILE 287 N -0.50 3.56 -0.14 5.43 -4.36 -1.26 -5.00 121.20 118.93 2wc3 s ILE 287 Ca 0.54 -1.81 -0.11 0.00 -0.26 0.00 0.00 60.65 59.01 2wc3 s ILE 287 Cb -0.39 -2.89 -0.25 0.00 1.25 0.00 0.00 42.46 40.18 2wc3 s ILE 287 CO 0.46 -0.34 0.33 0.47 0.24 0.00 0.00 174.94 176.11 2wc3 n ASP 288 N -0.81 2.07 -3.95 4.36 8.00 -0.77 -4.93 116.55 120.51 2wc3 n ASP 288 Ca -0.07 0.27 -0.09 0.00 0.71 0.00 0.00 54.79 55.61 2wc3 n ASP 288 Cb 0.58 -0.90 -0.08 0.00 -0.02 0.00 0.00 41.12 40.71 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 -2.51 0.37 -0.17 1.24 -0.12 -1.23 -3.79 117.98 111.77 2wc3 s PHE 289 Ca -0.24 -0.78 -0.02 0.00 -0.05 0.00 0.00 56.93 55.85 2wc3 s PHE 289 Cb 0.06 -0.14 -0.01 0.00 -0.63 0.00 0.00 43.02 42.31 2wc3 s PHE 289 CO 0.73 -0.60 -0.09 0.08 -0.05 0.00 0.00 175.22 175.28 2wc3 s VAL 290 N -3.93 3.16 -0.13 -2.49 1.01 -0.56 -3.64 120.40 113.81 2wc3 s VAL 290 Ca 0.13 -0.60 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 2wc3 s VAL 290 Cb 0.05 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2wc3 s VAL 290 CO -0.05 0.48 0.53 -0.83 0.00 0.00 0.00 175.10 175.23 2wc3 s GLY 291 N 0.86 2.35 -0.15 4.51 0.00 -0.21 -1.64 107.32 113.04 2wc3 s GLY 291 Ca -0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 44.72 44.49 2wc3 s GLY 291 CO 0.00 0.92 -0.07 1.08 0.00 0.00 0.00 173.10 175.03 2wc3 s LEU 292 N 0.90 3.06 0.09 0.66 1.43 -0.36 -1.71 118.68 122.75 2wc3 s LEU 292 Ca 0.27 -0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 53.13 2wc3 s LEU 292 Cb -0.16 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 2wc3 s LEU 292 CO 0.11 0.16 0.31 0.20 0.23 0.00 0.00 176.35 177.36 2wc3 s ASN 293 N 0.41 6.47 -0.20 2.29 0.01 0.70 -1.24 114.94 123.38 2wc3 s ASN 293 Ca -0.06 0.52 -0.14 0.00 -0.71 0.00 0.00 52.86 52.47 2wc3 s ASN 293 Cb -0.15 -2.06 0.06 0.00 0.41 0.00 0.00 41.25 39.51 2wc3 s ASN 293 CO 0.04 0.13 0.50 -0.47 -1.51 0.00 0.00 177.10 175.79 2wc3 s TYR 294 N -1.53 -0.67 0.00 2.20 5.04 -0.58 -2.99 117.35 118.83 2wc3 s TYR 294 Ca 0.36 1.47 0.00 0.00 -2.44 0.00 0.00 57.07 56.46 2wc3 s TYR 294 Cb -0.13 0.30 0.00 0.00 0.35 0.00 0.00 41.96 42.48 2wc3 s TYR 294 CO 0.23 -0.35 0.00 0.66 -1.34 0.00 0.00 175.55 174.76 2wc3 n TYR 295 N 3.66 0.00 -3.75 4.97 4.02 -1.26 -4.26 117.16 120.54 2wc3 n TYR 295 Ca -0.19 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.61 2wc3 n TYR 295 Cb 0.56 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.83 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 -2.93 -0.06 0.23 7.72 1.04 -1.26 -4.69 113.70 113.74 2wc3 s SER 296 Ca 0.00 -0.50 0.08 0.00 0.48 0.00 0.00 55.95 56.01 2wc3 s SER 296 Cb 0.00 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 2wc3 s SER 296 CO 0.00 -0.81 0.04 -0.83 0.98 0.00 0.00 173.24 172.63 2wc3 s GLY 297 N -2.84 1.63 -0.09 7.32 0.00 -1.25 -1.99 107.32 110.10 2wc3 s GLY 297 Ca 0.05 -1.49 -0.04 0.00 0.00 0.00 0.00 44.72 43.23 2wc3 s GLY 297 CO -0.11 -1.54 0.20 0.30 0.00 0.00 0.00 173.10 171.96 2wc3 s HIS 298 N -2.06 -0.25 -0.15 1.90 3.76 0.09 -4.46 115.29 114.11 2wc3 s HIS 298 Ca 0.30 0.64 -0.24 0.00 -0.15 0.00 0.00 55.06 55.62 2wc3 s HIS 298 Cb -0.08 -0.00 -0.02 0.00 1.11 0.00 0.00 32.58 33.59 2wc3 s HIS 298 CO 0.21 -0.20 0.74 -1.17 -0.85 0.00 0.00 174.74 173.47 2wc3 s LEU 299 N 1.13 4.20 -0.03 0.89 2.96 -1.25 -1.69 118.68 124.89 2wc3 s LEU 299 Ca -0.08 1.08 0.08 0.00 -0.22 0.00 0.00 54.13 54.98 2wc3 s LEU 299 Cb -0.10 -3.10 -0.02 0.00 0.50 0.00 0.00 46.19 43.47 2wc3 s LEU 299 CO -0.07 -0.30 -0.26 -0.69 -1.32 0.00 0.00 176.35 173.72 2wc3 s VAL 300 N 1.78 2.03 0.10 1.68 1.01 0.59 0.46 120.40 128.04 2wc3 s VAL 300 Ca 0.35 -1.09 0.04 0.00 0.00 0.00 0.00 61.98 61.28 2wc3 s VAL 300 Cb -0.17 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2wc3 s VAL 300 CO 0.13 0.57 -0.11 -1.59 0.00 0.00 0.00 175.10 174.11 2wc3 s LYS 301 N -0.54 0.88 0.19 2.72 -2.85 -0.86 -0.29 119.74 119.01 2wc3 s LYS 301 Ca 0.08 -1.19 -0.31 0.00 -1.00 0.00 0.00 55.97 53.55 2wc3 s LYS 301 Cb -0.10 -0.59 -0.10 0.00 -2.06 0.00 0.00 37.83 34.98 2wc3 s LYS 301 CO -0.00 0.09 1.52 0.12 0.10 0.00 0.00 175.35 177.18 2wc3 s PHE 302 N -2.46 3.04 -0.15 1.78 5.36 -1.26 -1.95 117.98 122.33 2wc3 s PHE 302 Ca 0.07 0.77 -0.02 0.00 -0.96 0.00 0.00 56.93 56.78 2wc3 s PHE 302 Cb -0.03 -3.89 0.05 0.00 -0.34 0.00 0.00 43.02 38.81 2wc3 s PHE 302 CO 0.00 -3.15 0.03 0.34 -1.46 0.00 0.00 175.22 170.98 2wc3 s ASP 303 N 0.87 2.47 0.27 6.13 -1.08 -0.99 -4.82 116.67 119.52 2wc3 s ASP 303 Ca 0.66 -0.58 -0.02 0.00 -0.52 0.00 0.00 52.55 52.10 2wc3 s ASP 303 Cb -0.43 -0.54 0.44 0.00 -1.46 0.00 0.00 42.92 40.93 2wc3 s ASP 303 CO 0.36 -0.27 1.89 -0.65 0.52 0.00 0.00 175.17 177.01 2wc3 h PRO 304 N 8.28 1.12 -4.00 4.34 0.11 -1.95 -3.33 132.00 136.57 2wc3 h PRO 304 Ca -0.17 -0.07 -0.73 0.00 0.11 0.00 0.00 66.00 65.14 2wc3 h PRO 304 Cb 1.12 -0.25 -0.09 0.00 0.11 0.00 0.00 31.00 31.89 2wc3 h PRO 304 CO 0.31 0.74 2.59 -0.25 -0.21 0.00 0.00 178.00 181.18 2wc3 n ASP 305 N -4.50 4.45 0.00 -2.05 9.92 -1.26 -4.78 116.55 118.33 2wc3 n ASP 305 Ca 0.15 -2.95 0.00 0.00 -0.53 0.00 0.00 54.79 51.46 2wc3 n ASP 305 Cb 0.19 -1.60 0.00 0.00 -0.64 0.00 0.00 41.12 39.08 2wc3 n ASP 305 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wc3 n ALA 308 N 5.45 0.00 -2.47 2.24 0.00 -1.26 -5.02 120.51 119.44 2wc3 n ALA 308 Ca 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.77 2wc3 n ALA 308 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.83 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 0.00 -2.23 -3.92 0.00 5.02 -1.25 -4.96 118.16 110.81 2wc3 n LYS 309 Ca 0.00 0.65 -0.15 0.00 -2.02 0.00 0.00 58.31 56.79 2wc3 n LYS 309 Cb 0.00 -5.27 -0.15 0.00 -0.02 0.00 0.00 35.03 29.59 2wc3 n LYS 309 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2wc3 s VAL 310 N -2.69 0.11 0.13 -0.18 1.01 -1.25 -2.34 120.40 115.20 2wc3 s VAL 310 Ca 0.02 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.06 2wc3 s VAL 310 Cb -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 2wc3 s VAL 310 CO 0.02 0.08 -0.10 -0.94 0.00 0.00 0.00 175.10 174.16 2wc3 s SER 311 N 0.44 1.70 -0.10 3.32 1.04 -0.82 -4.83 113.70 114.45 2wc3 s SER 311 Ca -0.04 -0.96 -0.14 0.00 0.48 0.00 0.00 55.95 55.29 2wc3 s SER 311 Cb -0.06 -0.00 -0.05 0.00 0.10 0.00 0.00 66.02 66.00 2wc3 s SER 311 CO -0.01 -0.32 0.34 -0.36 0.98 0.00 0.00 173.24 173.87 2wc3 s PHE 312 N -3.12 3.57 -0.23 5.02 0.40 -1.26 -2.02 117.98 120.33 2wc3 s PHE 312 Ca 0.14 0.76 -0.06 0.00 -0.60 0.00 0.00 56.93 57.17 2wc3 s PHE 312 Cb 0.01 -2.31 -0.02 0.00 0.51 0.00 0.00 43.02 41.21 2wc3 s PHE 312 CO 0.00 0.41 0.02 0.08 0.70 0.00 0.00 175.22 176.43 2wc3 s VAL 313 N -0.15 3.91 0.37 -0.44 1.01 0.17 -4.98 120.40 120.28 2wc3 s VAL 313 Ca 0.20 -0.31 -0.27 0.00 0.00 0.00 0.00 61.98 61.59 2wc3 s VAL 313 Cb -0.14 -2.81 -0.10 0.00 0.00 0.00 0.00 36.38 33.33 2wc3 s VAL 313 CO 0.08 0.38 1.33 -1.61 0.00 0.00 0.00 175.10 175.28 2wc3 s GLU 314 N 1.53 4.16 0.30 2.72 2.02 -1.26 -3.96 118.70 124.21 2wc3 s GLU 314 Ca 0.06 2.24 0.10 0.00 0.02 0.00 0.00 54.97 57.39 2wc3 s GLU 314 Cb -0.15 -2.93 -0.05 0.00 0.10 0.00 0.00 34.13 31.11 2wc3 s GLU 314 CO 0.01 -0.36 -0.02 1.03 0.02 0.00 0.00 175.26 175.93 2wc3 s ARG 315 N -2.02 2.11 -1.24 1.61 0.52 -1.26 -5.04 118.95 113.62 2wc3 s ARG 315 Ca 0.53 -1.62 -0.15 0.00 -0.52 0.00 0.00 55.73 53.97 2wc3 s ARG 315 Cb -0.40 -2.00 0.14 0.00 0.52 0.00 0.00 34.95 33.21 2wc3 s ARG 315 CO 0.53 0.25 1.54 0.34 0.02 0.00 0.00 175.30 177.97 2wc3 s ASP 316 N -3.67 7.00 0.03 0.23 2.15 -1.26 -4.93 116.67 116.22 2wc3 s ASP 316 Ca 0.33 -2.83 -0.01 0.00 0.43 0.00 0.00 52.55 50.47 2wc3 s ASP 316 Cb -0.03 -2.46 -0.03 0.00 -0.30 0.00 0.00 42.92 40.10 2wc3 s ASP 316 CO 0.19 -0.88 -0.02 -0.76 -0.17 0.00 0.00 175.17 173.53 2wc3 s LEU 317 N 2.42 2.29 0.47 -1.34 1.02 -1.26 -5.12 118.68 117.17 2wc3 s LEU 317 Ca 0.46 -0.65 -0.24 0.00 0.02 0.00 0.00 54.13 53.73 2wc3 s LEU 317 Cb -0.01 0.16 -0.08 0.00 0.02 0.00 0.00 46.19 46.28 2wc3 s LEU 317 CO 0.03 -0.40 1.25 -2.65 0.02 0.00 0.00 176.35 174.60 2wc3 n PRO 318 N 1.12 1.75 -4.34 1.29 -0.02 -1.26 -4.79 135.00 128.74 2wc3 n PRO 318 Ca -0.21 0.63 -0.18 0.00 -2.02 0.00 0.00 63.50 61.72 2wc3 n PRO 318 Cb 0.57 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.55 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 -2.42 1.32 0.00 -0.52 1.02 -1.26 -0.34 119.74 117.54 2wc3 s LYS 319 Ca 0.65 -1.60 0.00 0.00 0.02 0.00 0.00 55.97 55.04 2wc3 s LYS 319 Cb -0.48 -1.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.80 2wc3 s LYS 319 CO 0.55 0.14 0.00 0.25 -0.92 0.00 0.00 175.35 175.36 2wc3 n THR 320 N -0.39 0.00 0.69 2.17 -2.24 -0.63 -4.89 114.28 109.00 2wc3 n THR 320 Ca -0.08 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.81 2wc3 n THR 320 Cb 0.61 -1.59 0.46 0.00 -2.10 0.00 0.00 70.33 67.71 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 -3.00 1.98 1.26 6.98 0.00 0.10 -1.52 120.51 126.32 2wc3 n ALA 321 Ca 0.00 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.53 2wc3 n ALA 321 Cb 0.00 -1.37 0.56 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.66 0.43 -0.95 0.00 2.81 -1.26 -4.90 117.12 111.59 2wc3 n MET 322 Ca 0.05 -0.14 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 2wc3 n MET 322 Cb 0.27 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 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 1.36 0.81 3.68 3.03 0.00 -0.57 -5.00 105.19 108.50 2wc3 n GLY 323 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.21 3.29 0.57 1.61 0.51 -1.26 -4.74 118.94 115.71 2wc3 s TRP 324 Ca 0.00 1.36 -0.21 0.00 -2.12 0.00 0.00 56.10 55.13 2wc3 s TRP 324 Cb 0.00 -3.33 -0.04 0.00 -0.81 0.00 0.00 33.47 29.29 2wc3 s TRP 324 CO 0.00 -0.87 1.34 0.39 -0.51 0.00 0.00 176.95 177.30 2wc3 n GLU 325 N 5.37 1.54 -3.47 4.98 1.02 -1.26 -1.60 120.64 127.22 2wc3 n GLU 325 Ca 0.11 0.57 -0.43 0.00 -0.02 0.00 0.00 57.16 57.39 2wc3 n GLU 325 Cb 0.47 -2.56 -0.09 0.00 -0.02 0.00 0.00 31.44 29.24 2wc3 n GLU 325 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2wc3 s ILE 326 N -1.31 5.06 -0.47 -3.67 1.01 0.54 -3.80 121.20 118.55 2wc3 s ILE 326 Ca 0.74 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 60.52 2wc3 s ILE 326 Cb -0.41 -3.92 0.15 0.00 0.01 0.00 0.00 42.46 38.30 2wc3 s ILE 326 CO 0.47 -0.42 0.31 -0.69 0.00 0.00 0.00 174.94 174.61 2wc3 s VAL 327 N 1.62 1.26 0.38 2.92 1.01 -1.26 -4.76 120.40 121.57 2wc3 s VAL 327 Ca 0.04 -2.80 0.18 0.00 0.00 0.00 0.00 61.98 59.41 2wc3 s VAL 327 Cb -0.21 -1.86 0.18 0.00 0.00 0.00 0.00 36.38 34.48 2wc3 s VAL 327 CO 0.08 -1.02 1.93 -0.65 0.00 0.00 0.00 175.10 175.44 2wc3 h PRO 328 N 6.23 0.00 0.00 2.72 0.11 -1.94 -1.90 132.00 137.23 2wc3 h PRO 328 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2wc3 h PRO 328 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2wc3 h PRO 328 CO 0.47 0.25 0.00 1.05 -0.21 0.00 0.00 178.00 179.56 2wc3 h GLU 329 N 0.00 0.00 -0.07 1.05 9.09 -1.94 -1.69 114.58 121.03 2wc3 h GLU 329 Ca -0.00 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.43 2wc3 h GLU 329 Cb 0.51 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.60 2wc3 h GLU 329 CO 0.03 0.00 0.05 0.78 0.05 0.00 0.00 179.01 179.93 2wc3 h GLY 330 N 1.32 0.00 1.62 1.06 0.00 -1.75 -1.96 103.07 103.37 2wc3 h GLY 330 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 2wc3 h GLY 330 CO 0.00 0.00 -0.66 1.19 0.00 0.00 0.00 176.54 177.07 2wc3 h ILE 331 N 0.00 1.37 -0.06 2.60 2.10 -1.50 -1.41 117.51 120.61 2wc3 h ILE 331 Ca 0.03 -2.04 -0.02 0.00 1.08 0.00 0.00 64.86 63.92 2wc3 h ILE 331 Cb 0.14 2.02 -0.00 0.00 -1.09 0.00 0.00 36.82 37.89 2wc3 h ILE 331 CO -0.00 0.61 -0.03 0.22 -1.08 0.00 0.00 178.15 177.87 2wc3 h TYR 332 N 0.27 0.15 -0.68 2.19 5.03 -1.62 -2.42 116.97 119.89 2wc3 h TYR 332 Ca -0.02 -0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.24 2wc3 h TYR 332 Cb 1.21 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 39.42 2wc3 h TYR 332 CO 0.04 0.50 0.34 2.35 -1.32 0.00 0.00 178.16 180.07 2wc3 h TRP 333 N -0.24 0.97 -0.47 -3.82 7.01 -1.24 0.96 115.95 119.12 2wc3 h TRP 333 Ca 0.01 -0.04 -0.06 0.00 2.11 0.00 0.00 58.89 60.91 2wc3 h TRP 333 Cb 0.46 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.19 2wc3 h TRP 333 CO 0.07 0.71 0.04 0.97 -2.79 0.00 0.00 178.44 177.44 2wc3 h ILE 334 N 0.94 1.23 -0.04 2.65 6.09 -1.27 0.11 117.51 127.23 2wc3 h ILE 334 Ca 0.24 -0.90 -0.02 0.00 -1.37 0.00 0.00 64.86 62.81 2wc3 h ILE 334 Cb 0.09 0.83 -0.00 0.00 0.47 0.00 0.00 36.82 38.21 2wc3 h ILE 334 CO -0.03 0.32 -0.04 -0.07 -3.07 0.00 0.00 178.15 175.26 2wc3 h LEU 335 N 0.71 0.10 -0.53 2.19 3.38 -0.86 -1.70 115.31 118.60 2wc3 h LEU 335 Ca 0.15 -0.50 0.10 0.00 0.09 0.00 0.00 57.88 57.71 2wc3 h LEU 335 Cb 0.38 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 2wc3 h LEU 335 CO 0.01 0.58 0.08 0.11 0.09 0.00 0.00 178.44 179.31 2wc3 h LYS 336 N -0.38 0.20 -0.61 1.13 1.79 -0.74 -2.99 116.57 114.97 2wc3 h LYS 336 Ca 0.01 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 2wc3 h LYS 336 Cb 0.56 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.13 2wc3 h LYS 336 CO 0.01 0.13 0.27 -0.22 -1.08 0.00 0.00 179.45 178.56 2wc3 h LYS 337 N 0.20 0.89 -0.22 3.15 1.63 -0.70 -0.00 116.57 121.53 2wc3 h LYS 337 Ca 0.27 -0.15 -0.11 0.00 -0.85 0.00 0.00 60.65 59.81 2wc3 h LYS 337 Cb 0.39 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 2wc3 h LYS 337 CO -0.38 0.74 -0.34 -0.24 -3.45 0.00 0.00 179.45 175.78 2wc3 h VAL 338 N 0.84 1.29 -0.08 2.00 3.04 -1.24 0.36 116.25 122.45 2wc3 h VAL 338 Ca 0.21 -1.44 -0.17 0.00 -1.01 0.00 0.00 66.70 64.28 2wc3 h VAL 338 Cb 0.16 1.50 0.01 0.00 -2.01 0.00 0.00 31.29 30.95 2wc3 h VAL 338 CO -0.02 0.45 -0.63 0.50 -1.01 0.00 0.00 177.57 176.86 2wc3 h LYS 339 N 0.39 0.57 -0.21 4.17 3.64 -1.40 0.40 116.57 124.13 2wc3 h LYS 339 Ca 0.04 -0.51 0.02 0.00 -1.27 0.00 0.00 60.65 58.94 2wc3 h LYS 339 Cb 0.79 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 2wc3 h LYS 339 CO 0.06 1.13 0.06 1.49 -2.27 0.00 0.00 179.45 179.93 2wc3 h GLU 340 N 0.19 0.15 0.20 1.90 4.81 -0.63 -1.42 114.58 119.78 2wc3 h GLU 340 Ca -0.06 -0.01 -0.33 0.00 -0.13 0.00 0.00 59.36 58.84 2wc3 h GLU 340 Cb 1.29 -0.03 0.02 0.00 0.63 0.00 0.00 28.75 30.65 2wc3 h GLU 340 CO 0.13 0.10 -1.54 0.93 -0.73 0.00 0.00 179.01 177.90 2wc3 h GLU 341 N 0.16 0.41 0.00 1.92 5.08 -0.32 -3.41 114.58 118.41 2wc3 h GLU 341 Ca 0.09 -0.71 0.00 0.00 -1.00 0.00 0.00 59.36 57.74 2wc3 h GLU 341 Cb 0.06 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2wc3 h GLU 341 CO -0.10 1.32 0.00 0.66 -1.00 0.00 0.00 179.01 179.89 2wc3 n TYR 342 N -3.61 0.00 -4.00 4.33 4.01 -0.08 -5.06 117.16 112.75 2wc3 n TYR 342 Ca -0.18 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.13 2wc3 n TYR 342 Cb 1.08 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 40.13 2wc3 n TYR 342 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2wc3 n ASN 343 N -0.37 -4.15 -4.78 7.72 5.15 -0.07 -4.88 115.26 113.88 2wc3 n ASN 343 Ca 0.00 -1.23 -0.35 0.00 -0.60 0.00 0.00 54.58 52.40 2wc3 n ASN 343 Cb 0.03 -2.08 -0.00 0.00 -0.53 0.00 0.00 39.78 37.20 2wc3 n ASN 343 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2wc3 s PRO 344 N -7.10 3.39 0.15 1.20 0.04 -1.26 -4.93 135.00 126.50 2wc3 s PRO 344 Ca 0.47 1.56 -0.22 0.00 0.04 0.00 0.00 61.00 62.84 2wc3 s PRO 344 Cb -0.24 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.32 2wc3 s PRO 344 CO 0.95 -0.81 1.63 -1.00 0.04 0.00 0.00 177.00 177.81 2wc3 h PRO 345 N 1.18 -0.23 -4.90 0.56 0.13 -1.90 -3.43 132.00 123.41 2wc3 h PRO 345 Ca -0.50 0.02 -0.36 0.00 -0.87 0.00 0.00 66.00 64.29 2wc3 h PRO 345 Cb 1.25 0.05 -0.23 0.00 0.13 0.00 0.00 31.00 32.20 2wc3 h PRO 345 CO 0.57 -0.16 -0.76 -1.21 -0.23 0.00 0.00 178.00 176.21 2wc3 s GLU 346 N -6.08 0.69 -0.01 0.86 2.02 -1.25 -4.74 118.70 110.19 2wc3 s GLU 346 Ca -0.15 -0.71 0.04 0.00 0.02 0.00 0.00 54.97 54.18 2wc3 s GLU 346 Cb 0.12 -0.61 -0.01 0.00 0.10 0.00 0.00 34.13 33.73 2wc3 s GLU 346 CO 0.68 0.14 -0.13 0.08 0.02 0.00 0.00 175.26 176.05 2wc3 s VAL 347 N -1.00 1.05 0.09 2.63 1.01 -0.71 -1.50 120.40 121.96 2wc3 s VAL 347 Ca -0.03 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 61.47 2wc3 s VAL 347 Cb -0.08 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 2wc3 s VAL 347 CO 0.01 0.30 -0.26 -0.31 0.00 0.00 0.00 175.10 174.83 2wc3 s TYR 348 N -0.32 2.27 -0.50 5.22 1.51 -0.66 -0.41 117.35 124.47 2wc3 s TYR 348 Ca 0.05 -0.40 -0.25 0.00 -1.01 0.00 0.00 57.07 55.46 2wc3 s TYR 348 Cb -0.05 -1.29 0.03 0.00 -0.11 0.00 0.00 41.96 40.54 2wc3 s TYR 348 CO -0.00 0.23 0.96 0.42 -1.11 0.00 0.00 175.55 176.04 2wc3 s ILE 349 N -0.94 4.41 -0.54 2.71 -1.09 -0.43 -1.22 121.20 124.10 2wc3 s ILE 349 Ca 0.12 0.64 0.23 0.00 -2.23 0.00 0.00 60.65 59.41 2wc3 s ILE 349 Cb -0.10 -4.49 -0.05 0.00 -1.58 0.00 0.00 42.46 36.24 2wc3 s ILE 349 CO 0.04 -0.96 1.11 0.35 -1.23 0.00 0.00 174.94 174.25 2wc3 n THR 350 N 6.39 0.30 -3.70 2.92 -2.24 -0.37 -0.44 114.28 117.14 2wc3 n THR 350 Ca 0.05 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.40 2wc3 n THR 350 Cb 0.48 -0.01 -0.09 0.00 -2.10 0.00 0.00 70.33 68.61 2wc3 n THR 350 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2wc3 s GLU 351 N -3.22 0.54 -0.22 -0.78 2.02 -1.23 -4.62 118.70 111.18 2wc3 s GLU 351 Ca 0.03 0.74 -0.17 0.00 0.02 0.00 0.00 54.97 55.59 2wc3 s GLU 351 Cb 0.13 0.21 0.06 0.00 0.10 0.00 0.00 34.13 34.63 2wc3 s GLU 351 CO 0.77 -0.09 0.58 1.21 0.02 0.00 0.00 175.26 177.75 2wc3 s ASN 352 N 0.59 -0.67 0.00 -0.19 3.84 -1.00 -1.52 114.94 115.98 2wc3 s ASN 352 Ca -0.03 1.21 0.00 0.00 0.21 0.00 0.00 52.86 54.25 2wc3 s ASN 352 Cb -0.05 1.16 0.00 0.00 -0.55 0.00 0.00 41.25 41.82 2wc3 s ASN 352 CO -0.03 -0.21 0.00 0.61 -2.79 0.00 0.00 177.10 174.67 2wc3 n GLY 353 N 3.43 -0.47 3.34 1.21 0.00 -1.26 -1.11 105.19 110.32 2wc3 n GLY 353 Ca -0.17 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.00 -1.07 -0.19 4.61 0.00 -1.26 -4.90 121.76 116.95 2wc3 s ALA 354 Ca 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 51.96 52.26 2wc3 s ALA 354 Cb 0.00 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 2wc3 s ALA 354 CO 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 175.76 175.24 2wc3 s ALA 355 N -2.57 2.88 0.18 0.00 0.00 -1.26 -4.22 121.76 116.78 2wc3 s ALA 355 Ca -0.05 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 50.94 2wc3 s ALA 355 Cb -0.01 -1.64 -0.05 0.00 0.00 0.00 0.00 23.12 21.43 2wc3 s ALA 355 CO -0.03 -0.17 -0.11 -0.06 0.00 0.00 0.00 175.76 175.39 2wc3 s PHE 356 N 1.04 1.50 -1.18 0.00 0.08 -1.21 0.01 117.98 118.22 2wc3 s PHE 356 Ca 0.01 -0.70 -0.22 0.00 0.12 0.00 0.00 56.93 56.14 2wc3 s PHE 356 Cb -0.15 -0.75 -0.06 0.00 -0.57 0.00 0.00 43.02 41.49 2wc3 s PHE 356 CO 0.00 0.19 1.90 0.34 -0.10 0.00 0.00 175.22 177.55 2wc3 s ASP 357 N -3.25 5.32 0.14 1.36 -1.08 -1.26 -4.52 116.67 113.38 2wc3 s ASP 357 Ca 0.21 -1.72 -0.30 0.00 -0.52 0.00 0.00 52.55 50.21 2wc3 s ASP 357 Cb 0.02 -2.59 -0.07 0.00 -1.46 0.00 0.00 42.92 38.82 2wc3 s ASP 357 CO 0.04 -2.76 1.17 -1.81 0.52 0.00 0.00 175.17 172.33 2wc3 s ASP 358 N 6.23 7.14 0.03 -0.34 1.01 -1.26 -5.05 116.67 124.43 2wc3 s ASP 358 Ca 0.66 2.11 0.08 0.00 0.71 0.00 0.00 52.55 56.11 2wc3 s ASP 358 Cb -0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 2wc3 s ASP 358 CO 0.11 -0.36 -0.23 0.54 0.21 0.00 0.00 175.17 175.44 2wc3 s VAL 359 N 0.27 1.87 -0.44 -1.27 0.11 -1.26 -5.10 120.40 114.58 2wc3 s VAL 359 Ca 0.54 -1.24 -0.23 0.00 -2.93 0.00 0.00 61.98 58.12 2wc3 s VAL 359 Cb -0.30 -1.60 0.02 0.00 -1.53 0.00 0.00 36.38 32.97 2wc3 s VAL 359 CO 0.34 0.32 0.80 -0.69 -3.33 0.00 0.00 175.10 172.53 2wc3 s VAL 360 N -0.76 4.64 1.04 2.04 1.01 -1.26 -4.43 120.40 122.68 2wc3 s VAL 360 Ca 0.09 0.50 -0.14 0.00 0.00 0.00 0.00 61.98 62.44 2wc3 s VAL 360 Cb -0.09 -4.33 0.21 0.00 0.00 0.00 0.00 36.38 32.17 2wc3 s VAL 360 CO 0.01 -0.71 1.11 -0.44 0.00 0.00 0.00 175.10 175.07 2wc3 s SER 361 N 2.13 2.30 0.37 3.32 0.01 -0.72 -4.88 113.70 116.22 2wc3 s SER 361 Ca 0.31 1.00 0.05 0.00 1.31 0.00 0.00 55.95 58.61 2wc3 s SER 361 Cb -0.12 -1.55 0.73 0.00 0.21 0.00 0.00 66.02 65.30 2wc3 s SER 361 CO 0.23 -3.31 2.01 -0.33 0.41 0.00 0.00 173.24 172.25 2wc3 h GLU 362 N -2.02 0.72 0.00 12.44 5.08 -1.97 0.21 114.58 129.04 2wc3 h GLU 362 Ca -0.52 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 2wc3 h GLU 362 Cb 1.32 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2wc3 h GLU 362 CO 0.53 0.47 0.00 -0.40 -1.00 0.00 0.00 179.01 178.61 2wc3 n ASP 363 N -4.46 0.00 -0.75 1.42 5.68 -1.26 -4.83 116.55 112.36 2wc3 n ASP 363 Ca 0.06 -0.55 -0.10 0.00 -0.50 0.00 0.00 54.79 53.71 2wc3 n ASP 363 Cb 0.09 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.03 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 -0.05 1.08 3.75 6.12 0.00 0.06 -5.02 105.19 111.13 2wc3 n GLY 364 Ca 0.09 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.63 2.51 -0.29 1.61 1.81 -1.26 -4.87 118.95 115.83 2wc3 s ARG 365 Ca 0.00 -1.39 0.03 0.00 -1.72 0.00 0.00 55.73 52.65 2wc3 s ARG 365 Cb 0.00 -2.29 0.08 0.00 -0.45 0.00 0.00 34.95 32.28 2wc3 s ARG 365 CO 0.00 0.20 -0.05 0.08 -0.68 0.00 0.00 175.30 174.85 2wc3 s VAL 366 N -2.34 2.21 -1.12 3.52 1.01 -1.26 -1.76 120.40 120.65 2wc3 s VAL 366 Ca 0.36 -1.91 -0.13 0.00 0.00 0.00 0.00 61.98 60.31 2wc3 s VAL 366 Cb -0.05 -2.43 0.21 0.00 0.00 0.00 0.00 36.38 34.11 2wc3 s VAL 366 CO 0.23 -0.25 1.25 -1.00 0.00 0.00 0.00 175.10 175.33 2wc3 s HIS 367 N 1.03 3.75 -1.08 5.22 3.76 -1.26 -0.87 115.29 125.84 2wc3 s HIS 367 Ca -0.01 -2.25 -0.03 0.00 -0.15 0.00 0.00 55.06 52.62 2wc3 s HIS 367 Cb -0.20 -4.11 0.30 0.00 1.11 0.00 0.00 32.58 29.68 2wc3 s HIS 367 CO -0.06 -1.22 1.72 -0.40 -0.85 0.00 0.00 174.74 173.92 2wc3 n ASP 368 N 4.60 6.94 -0.22 1.40 5.75 -1.26 -4.74 116.55 129.02 2wc3 n ASP 368 Ca 0.30 -3.53 0.03 0.00 -0.01 0.00 0.00 54.79 51.57 2wc3 n ASP 368 Cb 0.42 -1.23 0.14 0.00 -1.03 0.00 0.00 41.12 39.42 2wc3 n ASP 368 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 2wc3 h GLN 369 N 4.79 0.26 -0.74 0.11 5.75 -1.98 -1.83 115.11 121.47 2wc3 h GLN 369 Ca 0.40 -0.02 0.16 0.00 -0.15 0.00 0.00 58.65 59.05 2wc3 h GLN 369 Cb 0.45 -0.06 -0.11 0.00 1.07 0.00 0.00 27.48 28.83 2wc3 h GLN 369 CO 1.28 0.17 0.15 -2.95 -2.65 0.00 0.00 178.83 174.83 2wc3 h ASN 370 N 0.27 -0.04 -0.35 -0.69 7.08 -2.00 0.16 115.58 120.01 2wc3 h ASN 370 Ca 0.35 0.15 -0.08 0.00 -3.08 0.00 0.00 56.30 53.65 2wc3 h ASN 370 Cb 0.56 0.22 -0.01 0.00 -2.08 0.00 0.00 38.32 37.01 2wc3 h ASN 370 CO -0.45 -0.06 -0.11 -0.09 -2.08 0.00 0.00 177.43 174.65 2wc3 h ARG 371 N 0.24 0.68 -0.34 4.14 2.43 -1.79 -2.10 114.38 117.64 2wc3 h ARG 371 Ca 0.42 -0.27 0.07 0.00 -0.81 0.00 0.00 59.98 59.39 2wc3 h ARG 371 Cb 0.72 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.16 2wc3 h ARG 371 CO -0.53 0.86 -0.17 0.82 -1.51 0.00 0.00 179.97 179.44 2wc3 h ILE 372 N 0.47 0.49 -0.34 1.20 2.04 -0.57 -0.06 117.51 120.74 2wc3 h ILE 372 Ca 0.08 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.99 2wc3 h ILE 372 Cb 0.62 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 2wc3 h ILE 372 CO 0.04 0.00 0.08 0.44 0.00 0.00 0.00 178.15 178.71 2wc3 h ASP 373 N -0.11 0.05 0.73 1.72 5.19 -0.52 0.19 116.42 123.67 2wc3 h ASP 373 Ca 0.17 0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.60 2wc3 h ASP 373 Cb 0.38 0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.94 2wc3 h ASP 373 CO -0.41 0.06 -0.42 0.22 -3.12 0.00 0.00 179.24 175.57 2wc3 h TYR 374 N 0.21 -1.11 -0.28 4.55 5.03 -1.08 -1.72 116.97 122.57 2wc3 h TYR 374 Ca 0.16 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.52 2wc3 h TYR 374 Cb 0.16 0.39 -0.07 0.00 1.55 0.00 0.00 36.73 38.76 2wc3 h TYR 374 CO -0.17 -0.64 -0.18 -0.07 -1.32 0.00 0.00 178.16 175.79 2wc3 h LEU 375 N -1.07 -0.58 -0.56 2.82 3.38 -0.82 -2.02 115.31 116.46 2wc3 h LEU 375 Ca -0.10 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.10 2wc3 h LEU 375 Cb 0.84 0.30 -0.11 0.00 0.09 0.00 0.00 40.66 41.78 2wc3 h LEU 375 CO 0.12 -0.21 -0.31 0.50 0.09 0.00 0.00 178.44 178.63 2wc3 h LYS 376 N -0.15 -0.15 -0.57 1.13 3.64 -0.55 0.04 116.57 119.96 2wc3 h LYS 376 Ca 0.15 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2wc3 h LYS 376 Cb 0.38 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 2wc3 h LYS 376 CO -0.38 -0.10 0.27 0.00 -2.27 0.00 0.00 179.45 176.98 2wc3 h ALA 377 N 1.05 1.42 -0.09 5.00 0.00 -0.85 -0.90 119.26 124.88 2wc3 h ALA 377 Ca 0.23 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2wc3 h ALA 377 Cb 0.54 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2wc3 h ALA 377 CO -0.65 0.46 -0.17 0.45 0.00 0.00 0.00 179.25 179.35 2wc3 h HIS 378 N 0.80 0.35 -0.70 0.00 3.86 -0.34 -1.96 115.15 117.16 2wc3 h HIS 378 Ca 0.20 -0.12 0.03 0.00 -1.16 0.00 0.00 60.37 59.31 2wc3 h HIS 378 Cb 0.08 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 2wc3 h HIS 378 CO 0.01 0.77 0.44 0.82 0.86 0.00 0.00 177.93 180.82 2wc3 h ILE 379 N -0.17 1.10 -0.74 2.45 2.04 -1.14 -1.11 117.51 119.95 2wc3 h ILE 379 Ca 0.01 -0.30 0.16 0.00 1.00 0.00 0.00 64.86 65.73 2wc3 h ILE 379 Cb 0.74 0.16 -0.11 0.00 -0.74 0.00 0.00 36.82 36.88 2wc3 h ILE 379 CO 0.04 0.16 0.18 1.23 0.00 0.00 0.00 178.15 179.75 2wc3 h GLY 380 N 0.86 1.03 1.99 5.37 0.00 -1.05 -0.27 103.07 111.01 2wc3 h GLY 380 Ca 0.28 -0.04 -0.14 0.00 0.00 0.00 0.00 47.33 47.43 2wc3 h GLY 380 CO -0.10 -0.20 -0.67 1.46 0.00 0.00 0.00 176.54 177.02 2wc3 h GLN 381 N 0.27 0.01 -0.37 4.80 1.08 -0.47 -2.97 115.11 117.44 2wc3 h GLN 381 Ca 0.42 -0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.47 2wc3 h GLN 381 Cb 0.72 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 2wc3 h GLN 381 CO -0.51 0.67 -0.34 0.00 -0.95 0.00 0.00 178.83 177.70 2wc3 h ALA 382 N 1.33 0.71 -0.26 3.87 0.00 -0.33 -2.77 119.26 121.81 2wc3 h ALA 382 Ca -0.01 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.51 2wc3 h ALA 382 Cb 1.19 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2wc3 h ALA 382 CO 0.09 0.66 0.06 2.35 0.00 0.00 0.00 179.25 182.41 2wc3 h TRP 383 N 0.70 0.10 -0.85 0.00 7.01 -1.00 -1.60 115.95 120.32 2wc3 h TRP 383 Ca 0.07 0.02 0.16 0.00 2.11 0.00 0.00 58.89 61.25 2wc3 h TRP 383 Cb 0.89 -0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.89 2wc3 h TRP 383 CO 0.05 0.03 0.56 -0.22 -2.79 0.00 0.00 178.44 176.07 2wc3 h LYS 384 N 0.16 0.51 -0.20 2.65 3.64 -1.36 0.38 116.57 122.35 2wc3 h LYS 384 Ca 0.12 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.27 2wc3 h LYS 384 Cb 0.12 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2wc3 h LYS 384 CO -0.15 0.34 -0.65 0.00 -2.27 0.00 0.00 179.45 176.71 2wc3 h ALA 385 N 1.62 0.45 -0.59 5.00 0.00 -1.04 -2.58 119.26 122.12 2wc3 h ALA 385 Ca 0.43 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2wc3 h ALA 385 Cb 0.88 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2wc3 h ALA 385 CO -0.17 0.69 0.14 0.82 0.00 0.00 0.00 179.25 180.73 2wc3 h ILE 386 N 0.55 1.25 0.00 0.00 2.04 -0.23 -1.39 117.51 119.74 2wc3 h ILE 386 Ca -0.02 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.94 2wc3 h ILE 386 Cb 1.26 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 2wc3 h ILE 386 CO 0.13 0.34 0.00 1.56 0.00 0.00 0.00 178.15 180.18 2wc3 h GLN 387 N 0.85 0.00 -0.55 2.37 1.08 -0.91 -1.03 115.11 116.92 2wc3 h GLN 387 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2wc3 h GLN 387 Cb 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 2wc3 h GLN 387 CO 0.00 0.00 0.00 0.39 -0.95 0.00 0.00 178.83 178.27 2wc3 n GLU 388 N -2.92 2.78 0.00 1.46 1.02 -0.55 -4.96 120.64 117.46 2wc3 n GLU 388 Ca -0.03 -2.37 0.00 0.00 -0.02 0.00 0.00 57.16 54.74 2wc3 n GLU 388 Cb 0.07 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 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 1.12 0.77 3.71 0.62 0.00 -0.39 -5.07 105.19 105.95 2wc3 n GLY 389 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2wc3 n GLY 389 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wc3 s VAL 390 N -2.00 3.67 -1.32 1.61 1.01 -1.05 -4.89 120.40 117.42 2wc3 s VAL 390 Ca 0.00 1.16 -0.08 0.00 0.00 0.00 0.00 61.98 63.05 2wc3 s VAL 390 Cb 0.00 -3.74 -0.08 0.00 0.00 0.00 0.00 36.38 32.56 2wc3 s VAL 390 CO 0.00 0.06 2.68 -0.81 0.00 0.00 0.00 175.10 177.03 2wc3 n PRO 391 N 4.41 3.07 -2.67 2.72 -0.04 -1.26 -4.45 135.00 136.80 2wc3 n PRO 391 Ca 0.11 -1.89 -0.43 0.00 -0.04 0.00 0.00 63.50 61.25 2wc3 n PRO 391 Cb 0.44 -2.65 -0.02 0.00 -0.04 0.00 0.00 33.50 31.23 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 0.14 3.93 0.00 1.53 2.96 -1.26 -1.74 118.68 124.25 2wc3 s LEU 392 Ca 0.59 0.98 0.21 0.00 -0.22 0.00 0.00 54.13 55.69 2wc3 s LEU 392 Cb 0.16 -3.50 -0.12 0.00 0.50 0.00 0.00 46.19 43.22 2wc3 s LEU 392 CO -0.05 -0.88 0.96 0.29 -1.32 0.00 0.00 176.35 175.36 2wc3 n LYS 393 N 6.86 0.70 -3.59 1.98 4.76 0.45 -4.97 118.16 124.35 2wc3 n LYS 393 Ca 0.11 -0.46 0.02 0.00 -2.87 0.00 0.00 58.31 55.11 2wc3 n LYS 393 Cb 0.47 -1.46 -0.00 0.00 -1.84 0.00 0.00 35.03 32.19 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 -2.70 -0.43 -0.17 0.72 0.00 -1.26 -1.70 107.32 101.79 2wc3 s GLY 394 Ca 0.12 0.92 -0.07 0.00 0.00 0.00 0.00 44.72 45.70 2wc3 s GLY 394 CO 0.71 0.20 0.37 -0.47 0.00 0.00 0.00 173.10 173.90 2wc3 s TYR 395 N -2.25 -0.62 -0.22 1.90 6.14 -0.09 -1.32 117.35 120.88 2wc3 s TYR 395 Ca 0.14 1.28 -0.02 0.00 0.64 0.00 0.00 57.07 59.11 2wc3 s TYR 395 Cb 0.05 0.20 0.01 0.00 0.42 0.00 0.00 41.96 42.64 2wc3 s TYR 395 CO -0.05 -0.39 -0.08 -0.06 0.64 0.00 0.00 175.55 175.60 2wc3 s PHE 396 N 2.12 2.95 -0.05 4.97 0.40 0.42 -0.83 117.98 127.96 2wc3 s PHE 396 Ca -0.04 -1.28 -0.30 0.00 -0.60 0.00 0.00 56.93 54.71 2wc3 s PHE 396 Cb -0.11 -2.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.34 2wc3 s PHE 396 CO -0.11 -0.66 1.22 0.08 0.70 0.00 0.00 175.22 176.44 2wc3 s VAL 397 N 1.39 4.21 -0.32 -0.44 1.01 -0.86 -2.38 120.40 123.02 2wc3 s VAL 397 Ca 0.04 1.54 -0.19 0.00 0.00 0.00 0.00 61.98 63.37 2wc3 s VAL 397 Cb -0.15 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 2wc3 s VAL 397 CO -0.06 0.00 0.58 0.86 0.00 0.00 0.00 175.10 176.48 2wc3 s TRP 398 N 2.19 3.20 0.16 5.22 -0.11 -0.27 -1.19 118.94 128.15 2wc3 s TRP 398 Ca 0.57 0.44 -0.01 0.00 1.22 0.00 0.00 56.10 58.32 2wc3 s TRP 398 Cb -0.25 -2.95 -0.04 0.00 -1.50 0.00 0.00 33.47 28.73 2wc3 s TRP 398 CO 0.23 -0.48 0.08 0.45 -4.62 0.00 0.00 176.95 172.60 2wc3 s SER 399 N 1.68 0.38 0.16 5.86 0.15 -0.70 -4.02 113.70 117.22 2wc3 s SER 399 Ca 0.22 -1.27 -0.16 0.00 0.70 0.00 0.00 55.95 55.45 2wc3 s SER 399 Cb -0.15 0.30 0.06 0.00 -1.71 0.00 0.00 66.02 64.52 2wc3 s SER 399 CO 0.12 -0.75 1.78 0.25 1.20 0.00 0.00 173.24 175.84 2wc3 h LEU 400 N 2.75 0.28 -8.68 3.45 5.85 -1.68 -0.83 115.31 116.44 2wc3 h LEU 400 Ca -0.36 0.02 -0.70 0.00 0.84 0.00 0.00 57.88 57.69 2wc3 h LEU 400 Cb 1.22 -0.03 -0.28 0.00 0.37 0.00 0.00 40.66 41.93 2wc3 h LEU 400 CO 0.58 0.20 -0.86 -0.76 -0.34 0.00 0.00 178.44 177.26 2wc3 s LEU 401 N -10.26 2.21 0.28 2.25 1.43 -1.26 -1.01 118.68 112.32 2wc3 s LEU 401 Ca -0.13 -0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 52.28 2wc3 s LEU 401 Cb 0.12 -1.39 -0.14 0.00 0.03 0.00 0.00 46.19 44.81 2wc3 s LEU 401 CO 0.72 0.32 0.99 0.47 0.23 0.00 0.00 176.35 179.08 2wc3 n ASP 402 N 2.39 1.14 -2.24 2.29 8.00 -0.83 -3.97 116.55 123.32 2wc3 n ASP 402 Ca -0.16 1.17 -0.08 0.00 0.71 0.00 0.00 54.79 56.43 2wc3 n ASP 402 Cb 0.51 -1.26 -0.00 0.00 -0.02 0.00 0.00 41.12 40.35 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 1.32 -1.19 -4.58 -2.24 2.04 -1.26 -4.77 115.26 104.58 2wc3 n ASN 403 Ca 0.10 -2.15 -0.41 0.00 -0.44 0.00 0.00 54.58 51.69 2wc3 n ASN 403 Cb 0.31 2.08 -0.03 0.00 -2.53 0.00 0.00 39.78 39.61 2wc3 n ASN 403 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 2wc3 s PHE 404 N -4.09 1.77 -1.34 -2.53 5.36 -0.11 -4.60 117.98 112.44 2wc3 s PHE 404 Ca 0.15 0.73 -0.06 0.00 -0.96 0.00 0.00 56.93 56.79 2wc3 s PHE 404 Cb -0.02 -4.11 0.11 0.00 -0.34 0.00 0.00 43.02 38.66 2wc3 s PHE 404 CO 0.11 -2.57 2.38 -1.91 -1.46 0.00 0.00 175.22 171.78 2wc3 n GLU 405 N 8.76 4.48 0.00 10.12 4.07 -0.00 -4.61 120.64 143.46 2wc3 n GLU 405 Ca 0.22 -3.39 0.00 0.00 -0.06 0.00 0.00 57.16 53.92 2wc3 n GLU 405 Cb 0.49 -2.66 0.00 0.00 -0.06 0.00 0.00 31.44 29.21 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 1.98 0.00 0.24 4.31 7.02 -1.26 -1.26 117.44 128.48 2wc3 n TRP 406 Ca 0.62 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 57.22 2wc3 n TRP 406 Cb 0.25 0.00 0.56 0.00 -2.42 0.00 0.00 31.31 29.70 2wc3 n TRP 406 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2wc3 h ALA 407 N -0.44 1.07 0.00 6.99 0.00 -1.87 -1.61 119.26 123.40 2wc3 h ALA 407 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2wc3 h ALA 407 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2wc3 h ALA 407 CO 0.00 0.21 0.00 0.39 0.00 0.00 0.00 179.25 179.85 2wc3 n GLU 408 N -3.40 0.10 0.00 0.00 -0.58 -0.39 -0.51 120.64 115.86 2wc3 n GLU 408 Ca -0.00 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 2wc3 n GLU 408 Cb 0.37 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 2wc3 n GLU 408 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wc3 n GLY 409 N 0.80 0.98 0.01 0.62 0.00 -0.61 -3.07 105.19 103.91 2wc3 n GLY 409 Ca 0.05 -0.66 0.14 0.00 0.00 0.00 0.00 46.02 45.56 2wc3 n GLY 409 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wc3 n TYR 410 N 1.22 0.00 0.23 1.61 4.01 -1.26 -0.82 117.16 122.15 2wc3 n TYR 410 Ca 0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.88 2wc3 n TYR 410 Cb 0.00 -0.36 0.73 0.00 -0.31 0.00 0.00 39.34 39.41 2wc3 n TYR 410 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2wc3 h SER 411 N 0.03 0.00 -3.24 7.72 4.64 -1.87 -3.40 113.55 117.42 2wc3 h SER 411 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 2wc3 h SER 411 Cb 0.37 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.11 2wc3 h SER 411 CO 0.00 0.00 -0.84 -0.54 -0.87 0.00 0.00 176.83 174.58 2wc3 s LYS 412 N -3.67 2.78 -0.36 4.77 -0.14 -1.26 -5.05 119.74 116.81 2wc3 s LYS 412 Ca -0.02 -0.93 -0.11 0.00 -1.36 0.00 0.00 55.97 53.55 2wc3 s LYS 412 Cb 0.08 -2.61 0.02 0.00 -1.68 0.00 0.00 37.83 33.63 2wc3 s LYS 412 CO 0.28 -0.29 0.21 1.03 -0.76 0.00 0.00 175.35 175.82 2wc3 s ARG 413 N 1.26 3.01 0.00 1.68 0.52 -1.26 -4.57 118.95 119.59 2wc3 s ARG 413 Ca 0.02 -0.96 0.14 0.00 -0.52 0.00 0.00 55.73 54.41 2wc3 s ARG 413 Cb -0.15 -3.73 -0.00 0.00 0.52 0.00 0.00 34.95 31.59 2wc3 s ARG 413 CO -0.11 -0.62 0.78 1.19 0.02 0.00 0.00 175.30 176.56 2wc3 n PHE 414 N 5.02 0.00 -1.54 -0.53 3.01 -1.26 -3.31 117.46 118.85 2wc3 n PHE 414 Ca -0.12 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.02 2wc3 n PHE 414 Cb 0.47 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.01 2wc3 n PHE 414 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2wc3 s GLY 415 N -1.72 1.89 0.00 1.37 0.00 -1.25 -1.71 107.32 105.89 2wc3 s GLY 415 Ca 0.12 0.37 0.24 0.00 0.00 0.00 0.00 44.72 45.44 2wc3 s GLY 415 CO 0.36 0.71 1.28 0.29 0.00 0.00 0.00 173.10 175.73 2wc3 n ILE 416 N -2.95 0.00 -4.85 0.90 -5.35 -0.31 -4.76 119.36 102.03 2wc3 n ILE 416 Ca 0.09 -0.16 -0.33 0.00 -0.27 0.00 0.00 62.75 62.09 2wc3 n ILE 416 Cb 0.53 0.81 -0.16 0.00 -1.74 0.00 0.00 39.64 39.08 2wc3 n ILE 416 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2wc3 s VAL 417 N -2.60 2.59 0.26 7.28 1.01 -0.18 -1.09 120.40 127.67 2wc3 s VAL 417 Ca 0.19 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 61.06 2wc3 s VAL 417 Cb 0.18 -2.06 -0.09 0.00 0.00 0.00 0.00 36.38 34.41 2wc3 s VAL 417 CO 0.60 0.53 0.97 -0.47 0.00 0.00 0.00 175.10 176.73 2wc3 s TYR 418 N 0.49 3.87 -0.19 5.22 6.14 -0.13 -1.96 117.35 130.78 2wc3 s TYR 418 Ca -0.12 1.86 0.00 0.00 0.64 0.00 0.00 57.07 59.46 2wc3 s TYR 418 Cb -0.16 -3.02 0.02 0.00 0.42 0.00 0.00 41.96 39.21 2wc3 s TYR 418 CO 0.05 0.25 -0.17 0.08 0.64 0.00 0.00 175.55 176.39 2wc3 s VAL 419 N -1.25 2.26 -0.38 3.14 1.01 -1.26 -0.82 120.40 123.10 2wc3 s VAL 419 Ca 0.43 -0.88 -0.25 0.00 0.00 0.00 0.00 61.98 61.28 2wc3 s VAL 419 Cb -0.26 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.17 2wc3 s VAL 419 CO 0.32 0.52 0.88 -0.62 0.00 0.00 0.00 175.10 176.20 2wc3 s ASP 420 N 1.32 6.61 0.46 3.32 -1.08 -0.76 -4.95 116.67 121.59 2wc3 s ASP 420 Ca 0.05 0.43 0.26 0.00 -0.52 0.00 0.00 52.55 52.77 2wc3 s ASP 420 Cb -0.13 -2.44 0.69 0.00 -1.46 0.00 0.00 42.92 39.58 2wc3 s ASP 420 CO -0.11 -0.85 1.74 1.88 0.52 0.00 0.00 175.17 178.34 2wc3 h TYR 421 N 8.58 0.00 0.00 -5.34 0.05 -1.95 0.51 116.97 118.82 2wc3 h TYR 421 Ca -0.24 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.47 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 -0.34 0.66 -1.05 0.00 0.00 178.16 178.25 2wc3 h SER 422 N 0.00 0.00 0.00 3.88 4.64 -1.98 -3.35 113.55 116.74 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 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2wc3 h SER 422 CO 0.00 0.34 -0.52 0.35 -0.87 0.00 0.00 176.83 176.13 2wc3 n THR 423 N -3.20 0.00 -1.10 2.95 -2.24 -1.14 -5.00 114.28 104.55 2wc3 n THR 423 Ca 0.02 -0.30 -0.03 0.00 -2.27 0.00 0.00 64.05 61.47 2wc3 n THR 423 Cb 0.65 0.86 -0.01 0.00 -2.10 0.00 0.00 70.33 69.73 2wc3 n THR 423 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wc3 n GLN 424 N -1.28 -1.38 -2.65 -0.78 1.13 0.18 -4.97 117.38 107.62 2wc3 n GLN 424 Ca 0.01 0.51 -0.40 0.00 -1.94 0.00 0.00 57.00 55.17 2wc3 n GLN 424 Cb 0.12 -4.62 -0.05 0.00 0.11 0.00 0.00 30.24 25.79 2wc3 n GLN 424 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2wc3 s LYS 425 N -1.86 4.73 0.03 -1.09 2.20 -1.20 -4.82 119.74 117.72 2wc3 s LYS 425 Ca 0.00 1.58 -0.17 0.00 -0.36 0.00 0.00 55.97 57.03 2wc3 s LYS 425 Cb 0.00 -3.28 -0.06 0.00 -1.51 0.00 0.00 37.83 32.98 2wc3 s LYS 425 CO 0.00 0.31 0.47 1.03 -0.36 0.00 0.00 175.35 176.80 2wc3 s ARG 426 N -0.81 4.04 -0.24 4.03 3.00 -1.26 -1.82 118.95 125.88 2wc3 s ARG 426 Ca 0.45 0.54 -0.01 0.00 0.00 0.00 0.00 55.73 56.70 2wc3 s ARG 426 Cb -0.27 -3.23 0.07 0.00 0.00 0.00 0.00 34.95 31.52 2wc3 s ARG 426 CO 0.34 0.66 0.04 0.42 0.00 0.00 0.00 175.30 176.76 2wc3 s ILE 427 N -1.07 0.87 0.21 1.52 1.01 0.00 -4.97 121.20 118.78 2wc3 s ILE 427 Ca 0.26 -1.00 -0.32 0.00 0.00 0.00 0.00 60.65 59.59 2wc3 s ILE 427 Cb -0.18 -1.42 -0.14 0.00 0.01 0.00 0.00 42.46 40.73 2wc3 s ILE 427 CO 0.16 -0.35 1.38 0.52 0.00 0.00 0.00 174.94 176.65 2wc3 n VAL 428 N 4.90 0.80 -2.10 2.92 0.31 -1.26 -0.96 118.33 122.93 2wc3 n VAL 428 Ca -0.07 -0.20 -0.28 0.00 -0.01 0.00 0.00 64.34 63.78 2wc3 n VAL 428 Cb 0.45 -1.34 0.05 0.00 -0.91 0.00 0.00 33.84 32.08 2wc3 n VAL 428 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2wc3 s LYS 429 N -0.22 2.72 0.46 5.55 1.02 -0.25 -4.49 119.74 124.53 2wc3 s LYS 429 Ca 0.71 0.19 0.13 0.00 0.02 0.00 0.00 55.97 57.02 2wc3 s LYS 429 Cb -0.70 -2.12 1.06 0.00 -0.52 0.00 0.00 37.83 35.55 2wc3 s LYS 429 CO 0.49 -1.00 2.05 -0.44 -0.92 0.00 0.00 175.35 175.53 2wc3 h ASP 430 N -0.52 0.09 -0.32 2.83 5.19 -1.30 0.28 116.42 122.66 2wc3 h ASP 430 Ca -0.45 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 55.87 2wc3 h ASP 430 Cb 1.27 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.74 2wc3 h ASP 430 CO 0.63 0.16 -0.07 0.77 -3.12 0.00 0.00 179.24 177.60 2wc3 h SER 431 N 0.09 0.70 -0.40 6.45 4.64 -1.81 -0.91 113.55 122.31 2wc3 h SER 431 Ca 0.02 -0.19 0.06 0.00 -0.47 0.00 0.00 61.79 61.22 2wc3 h SER 431 Cb 0.16 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 62.00 2wc3 h SER 431 CO 0.01 0.82 0.07 1.23 -0.87 0.00 0.00 176.83 178.09 2wc3 h GLY 432 N 0.97 0.46 0.85 -0.77 0.00 -1.01 0.32 103.07 103.88 2wc3 h GLY 432 Ca 0.12 -0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 2wc3 h GLY 432 CO 0.03 -0.04 -0.14 -0.97 0.00 0.00 0.00 176.54 175.42 2wc3 h TYR 433 N 0.20 0.59 -0.99 5.60 0.05 -1.21 -2.23 116.97 118.99 2wc3 h TYR 433 Ca 0.19 -0.15 0.13 0.00 0.05 0.00 0.00 58.73 58.95 2wc3 h TYR 433 Cb 0.23 -0.13 -0.09 0.00 1.01 0.00 0.00 36.73 37.75 2wc3 h TYR 433 CO -0.20 0.79 0.61 2.35 -1.05 0.00 0.00 178.16 180.66 2wc3 h TRP 434 N 0.21 1.10 -0.24 4.88 7.01 -0.99 -1.48 115.95 126.44 2wc3 h TRP 434 Ca 0.05 0.03 -0.18 0.00 2.11 0.00 0.00 58.89 60.90 2wc3 h TRP 434 Cb 0.65 -0.34 -0.00 0.00 -2.10 0.00 0.00 29.16 27.37 2wc3 h TRP 434 CO 0.07 0.40 -0.58 -0.92 -2.79 0.00 0.00 178.44 174.62 2wc3 h TYR 435 N 0.93 0.95 -0.91 2.65 3.20 -0.82 -1.81 116.97 121.16 2wc3 h TYR 435 Ca 0.50 -0.35 0.13 0.00 3.14 0.00 0.00 58.73 62.16 2wc3 h TYR 435 Cb 0.56 -0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.58 2wc3 h TYR 435 CO -0.01 1.15 0.58 1.03 -1.64 0.00 0.00 178.16 179.27 2wc3 h SER 436 N 0.57 0.71 1.01 -2.11 0.87 -0.73 0.13 113.55 114.00 2wc3 h SER 436 Ca 0.00 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.51 2wc3 h SER 436 Cb 1.16 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 2wc3 h SER 436 CO 0.12 0.37 -0.44 0.78 -0.53 0.00 0.00 176.83 177.13 2wc3 h ASN 437 N 0.76 0.00 -0.27 6.23 2.35 -0.79 -2.00 115.58 121.86 2wc3 h ASN 437 Ca 0.45 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.15 2wc3 h ASN 437 Cb 0.64 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 2wc3 h ASN 437 CO -0.21 0.44 -0.04 0.58 -1.65 0.00 0.00 177.43 176.56 2wc3 h VAL 438 N 0.00 1.27 -0.40 2.81 2.07 0.03 -0.39 116.25 121.64 2wc3 h VAL 438 Ca -0.00 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.51 2wc3 h VAL 438 Cb 1.07 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 2wc3 h VAL 438 CO 0.06 0.32 0.26 0.58 0.02 0.00 0.00 177.57 178.81 2wc3 h VAL 439 N 0.27 1.10 -0.28 2.57 2.07 -0.97 0.24 116.25 121.26 2wc3 h VAL 439 Ca 0.07 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 2wc3 h VAL 439 Cb 0.49 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2wc3 h VAL 439 CO 0.02 0.10 0.09 0.50 0.02 0.00 0.00 177.57 178.30 2wc3 h LYS 440 N 0.54 0.43 0.00 1.57 3.64 -1.20 -0.46 116.57 121.09 2wc3 h LYS 440 Ca 0.14 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2wc3 h LYS 440 Cb -0.06 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2wc3 h LYS 440 CO -0.03 0.49 0.00 0.09 -2.27 0.00 0.00 179.45 177.73 2wc3 n ASN 441 N -4.72 0.00 -4.06 4.20 3.02 -0.17 -4.90 115.26 108.63 2wc3 n ASN 441 Ca -0.02 -0.24 -0.30 0.00 -0.03 0.00 0.00 54.58 53.99 2wc3 n ASN 441 Cb 0.16 -0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 39.07 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 -1.23 -1.92 0.00 6.41 5.15 0.62 -4.80 115.26 119.48 2wc3 n ASN 442 Ca 0.14 -0.99 0.00 0.00 -0.60 0.00 0.00 54.58 53.14 2wc3 n ASN 442 Cb 0.19 -3.01 0.00 0.00 -0.53 0.00 0.00 39.78 36.43 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 -1.73 -0.48 3.58 8.20 0.00 -0.02 -2.01 105.19 112.73 2wc3 n GLY 443 Ca -0.13 -1.25 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 2wc3 n GLY 443 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wc3 s LEU 444 N 0.00 3.40 0.00 0.99 1.43 0.32 -4.46 118.68 120.36 2wc3 s LEU 444 Ca 0.00 -0.01 0.15 0.00 -1.03 0.00 0.00 54.13 53.24 2wc3 s LEU 444 Cb 0.00 -1.80 0.12 0.00 0.03 0.00 0.00 46.19 44.54 2wc3 s LEU 444 CO 0.00 0.26 0.97 -1.84 0.23 0.00 0.00 176.35 175.97