#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2va3 s ILE 2 N 0.00 0.68 -0.16 1.12 1.01 -1.26 -4.44 121.20 118.15 2va3 s ILE 2 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.33 2va3 s ILE 2 Cb 0.00 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 2va3 s ILE 2 CO 0.00 0.14 0.04 -0.69 0.00 0.00 0.00 174.94 174.43 2va3 s VAL 3 N 1.83 4.57 -0.23 2.92 1.01 -0.27 -1.76 120.40 128.47 2va3 s VAL 3 Ca 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 2va3 s VAL 3 Cb -0.14 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.22 2va3 s VAL 3 CO -0.07 0.49 -0.05 -0.22 0.00 0.00 0.00 175.10 175.25 2va3 s LEU 4 N 0.16 2.99 -0.17 3.92 0.20 0.02 -1.98 118.68 123.82 2va3 s LEU 4 Ca 0.03 -0.59 -0.06 0.00 0.69 0.00 0.00 54.13 54.19 2va3 s LEU 4 Cb -0.13 -1.70 -0.04 0.00 -0.43 0.00 0.00 46.19 43.90 2va3 s LEU 4 CO 0.01 -0.07 0.03 0.12 -0.29 0.00 0.00 176.35 176.15 2va3 s PHE 5 N 1.41 3.17 -0.08 5.38 5.36 0.21 -0.25 117.98 133.18 2va3 s PHE 5 Ca 0.04 -0.05 0.01 0.00 -0.96 0.00 0.00 56.93 55.96 2va3 s PHE 5 Cb -0.15 -2.03 -0.03 0.00 -0.34 0.00 0.00 43.02 40.47 2va3 s PHE 5 CO -0.04 0.09 -0.10 0.08 -1.46 0.00 0.00 175.22 173.79 2va3 s VAL 6 N 0.35 3.37 -0.15 3.12 1.01 0.11 -0.69 120.40 127.52 2va3 s VAL 6 Ca 0.01 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 2va3 s VAL 6 Cb -0.13 -2.37 0.07 0.00 0.00 0.00 0.00 36.38 33.94 2va3 s VAL 6 CO 0.01 0.57 0.17 -0.62 0.00 0.00 0.00 175.10 175.23 2va3 s ASP 7 N -0.42 1.32 -0.08 3.32 2.15 -0.98 -1.67 116.67 120.32 2va3 s ASP 7 Ca 0.05 -0.08 -0.30 0.00 0.43 0.00 0.00 52.55 52.66 2va3 s ASP 7 Cb -0.12 0.21 -0.04 0.00 -0.30 0.00 0.00 42.92 42.67 2va3 s ASP 7 CO 0.02 -0.30 1.50 -0.36 -0.17 0.00 0.00 175.17 175.86 2va3 s PHE 8 N 2.28 2.39 -0.02 -5.34 0.08 -0.76 -1.85 117.98 114.75 2va3 s PHE 8 Ca 0.04 0.54 -0.35 0.00 0.12 0.00 0.00 56.93 57.28 2va3 s PHE 8 Cb -0.14 -3.75 -0.14 0.00 -0.57 0.00 0.00 43.02 38.42 2va3 s PHE 8 CO -0.09 -2.98 1.69 -0.25 -0.10 0.00 0.00 175.22 173.49 2va3 n ASP 9 N 6.66 2.92 -3.82 1.36 8.00 -0.88 -3.04 116.55 127.74 2va3 n ASP 9 Ca 0.16 1.04 -0.23 0.00 0.71 0.00 0.00 54.79 56.47 2va3 n ASP 9 Cb 0.43 -1.33 -0.00 0.00 -0.02 0.00 0.00 41.12 40.21 2va3 n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2va3 n TYR 10 N 4.88 -0.68 -0.26 1.24 0.18 -1.26 -4.53 117.16 116.73 2va3 n TYR 10 Ca 0.21 0.08 -0.07 0.00 1.88 0.00 0.00 57.90 60.00 2va3 n TYR 10 Cb 0.25 -1.40 -0.06 0.00 -0.38 0.00 0.00 39.34 37.75 2va3 n TYR 10 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2va3 n PHE 11 N -3.01 -0.27 -0.22 -3.48 7.35 -1.17 0.28 117.46 116.94 2va3 n PHE 11 Ca -0.08 0.76 -0.03 0.00 -0.76 0.00 0.00 57.45 57.34 2va3 n PHE 11 Cb 0.30 -0.54 0.07 0.00 0.35 0.00 0.00 39.48 39.66 2va3 n PHE 11 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 2va3 h TYR 12 N 0.00 0.71 -0.61 -5.13 0.99 -1.92 -0.30 116.97 110.70 2va3 h TYR 12 Ca 0.10 0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.77 2va3 h TYR 12 Cb 0.25 -0.23 -0.02 0.00 1.00 0.00 0.00 36.73 37.73 2va3 h TYR 12 CO -0.97 0.38 0.06 0.00 -0.00 0.00 0.00 178.16 177.64 2va3 h ALA 13 N 1.30 0.82 -0.23 3.88 0.00 -1.63 -2.91 119.26 120.49 2va3 h ALA 13 Ca 0.27 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 2va3 h ALA 13 Cb 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2va3 h ALA 13 CO -0.13 0.61 -0.51 0.37 0.00 0.00 0.00 179.25 179.59 2va3 h GLN 14 N 0.95 0.65 -0.48 0.00 4.15 0.44 -2.54 115.11 118.27 2va3 h GLN 14 Ca 0.18 -0.39 -0.05 0.00 0.77 0.00 0.00 58.65 59.16 2va3 h GLN 14 Cb 0.48 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 2va3 h GLN 14 CO 0.02 1.00 0.07 0.28 -1.93 0.00 0.00 178.83 178.28 2va3 h VAL 15 N 0.51 1.22 0.00 2.39 2.07 -1.06 -1.84 116.25 119.54 2va3 h VAL 15 Ca 0.02 -0.83 -0.09 0.00 0.82 0.00 0.00 66.70 66.61 2va3 h VAL 15 Cb 1.06 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2va3 h VAL 15 CO 0.10 0.30 -0.44 -0.33 0.02 0.00 0.00 177.57 177.23 2va3 h GLU 16 N 0.71 0.00 0.00 1.57 4.39 -1.43 -2.12 114.58 117.70 2va3 h GLU 16 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2va3 h GLU 16 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2va3 h GLU 16 CO 0.00 0.44 0.00 0.39 -1.16 0.00 0.00 179.01 178.68 2va3 n GLU 17 N -3.47 0.16 -0.06 2.33 1.02 -0.75 -3.08 120.64 116.80 2va3 n GLU 17 Ca 0.00 0.21 -0.22 0.00 -0.02 0.00 0.00 57.16 57.13 2va3 n GLU 17 Cb 0.58 -1.72 -0.13 0.00 -0.02 0.00 0.00 31.44 30.16 2va3 n GLU 17 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2va3 n VAL 18 N -2.00 1.65 1.12 2.62 0.31 -0.85 -2.44 118.33 118.73 2va3 n VAL 18 Ca 0.05 -0.41 0.10 0.00 -0.01 0.00 0.00 64.34 64.07 2va3 n VAL 18 Cb 0.34 -1.82 0.55 0.00 -0.91 0.00 0.00 33.84 32.00 2va3 n VAL 18 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2va3 n LEU 19 N -3.85 0.00 -2.73 7.52 4.32 -0.91 -3.66 117.00 117.69 2va3 n LEU 19 Ca -0.36 0.09 -0.07 0.00 -0.02 0.00 0.00 56.01 55.65 2va3 n LEU 19 Cb 0.90 -0.09 0.06 0.00 -1.62 0.00 0.00 43.42 42.67 2va3 n LEU 19 CO 0.29 -0.04 0.28 -3.20 -1.22 0.00 0.00 177.39 173.51 2va3 n ASN 20 N -1.09 -2.58 0.21 -1.43 2.85 -1.18 -5.00 115.26 107.04 2va3 n ASN 20 Ca 0.13 -3.00 0.05 0.00 -0.11 0.00 0.00 54.58 51.64 2va3 n ASN 20 Cb 0.09 1.61 0.25 0.00 1.24 0.00 0.00 39.78 42.98 2va3 n ASN 20 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2va3 h PRO 21 N 3.83 0.00 0.00 1.20 0.11 -1.55 0.32 132.00 135.91 2va3 h PRO 21 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2va3 h PRO 21 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2va3 h PRO 21 CO 0.22 0.00 0.00 1.03 -0.21 0.00 0.00 178.00 179.04 2va3 h SER 22 N 0.00 0.00 1.42 -2.05 0.87 -1.94 -2.57 113.55 109.28 2va3 h SER 22 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2va3 h SER 22 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2va3 h SER 22 CO 0.00 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 176.48 2va3 n LEU 23 N -3.00 0.79 -4.74 2.23 4.77 0.11 -4.86 117.00 112.30 2va3 n LEU 23 Ca -0.00 0.58 -0.37 0.00 -0.03 0.00 0.00 56.01 56.18 2va3 n LEU 23 Cb 0.22 -0.34 0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2va3 n LEU 23 CO 0.24 -0.20 0.91 -0.54 -1.33 0.00 0.00 177.39 176.47 2va3 s LYS 24 N -3.11 2.77 0.00 3.23 -0.14 -0.97 -2.89 119.74 118.62 2va3 s LYS 24 Ca 0.10 2.07 0.00 0.00 -1.36 0.00 0.00 55.97 56.78 2va3 s LYS 24 Cb 0.12 -1.96 0.00 0.00 -1.68 0.00 0.00 37.83 34.31 2va3 s LYS 24 CO 0.58 -1.43 0.00 0.41 -0.76 0.00 0.00 175.35 174.15 2va3 n GLY 25 N 0.80 2.09 3.94 -3.33 0.00 -1.26 -4.99 105.19 102.43 2va3 n GLY 25 Ca 0.14 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 2va3 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2va3 s LYS 26 N 0.00 3.36 0.01 1.61 -2.85 -1.14 -4.95 119.74 115.78 2va3 s LYS 26 Ca 0.00 -0.27 -0.30 0.00 -1.00 0.00 0.00 55.97 54.40 2va3 s LYS 26 Cb 0.00 -2.57 -0.06 0.00 -2.06 0.00 0.00 37.83 33.14 2va3 s LYS 26 CO 0.00 -0.06 1.49 -2.14 0.10 0.00 0.00 175.35 174.75 2va3 s PRO 27 N -4.48 4.25 -0.07 1.78 0.02 -1.26 -4.83 135.00 130.40 2va3 s PRO 27 Ca 0.44 2.08 0.04 0.00 0.02 0.00 0.00 61.00 63.58 2va3 s PRO 27 Cb -0.10 -3.62 0.00 0.00 0.02 0.00 0.00 34.50 30.80 2va3 s PRO 27 CO 0.38 -0.65 -0.18 0.08 -0.33 0.00 0.00 177.00 176.30 2va3 s VAL 28 N 2.66 1.59 -0.19 3.83 1.01 -1.26 -1.38 120.40 126.66 2va3 s VAL 28 Ca 0.67 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2va3 s VAL 28 Cb -0.34 -1.39 0.04 0.00 0.00 0.00 0.00 36.38 34.70 2va3 s VAL 28 CO 0.28 0.45 -0.07 -0.69 0.00 0.00 0.00 175.10 175.08 2va3 s VAL 29 N 0.31 1.33 -0.39 2.92 1.01 -0.59 -2.06 120.40 122.92 2va3 s VAL 29 Ca -0.12 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.79 2va3 s VAL 29 Cb -0.15 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.75 2va3 s VAL 29 CO 0.05 0.10 0.83 -0.69 0.00 0.00 0.00 175.10 175.39 2va3 s VAL 30 N 1.53 4.66 0.36 2.92 1.01 0.11 -1.48 120.40 129.50 2va3 s VAL 30 Ca -0.01 0.87 0.05 0.00 0.00 0.00 0.00 61.98 62.89 2va3 s VAL 30 Cb -0.16 -4.28 0.06 0.00 0.00 0.00 0.00 36.38 32.00 2va3 s VAL 30 CO -0.08 -0.54 0.50 0.00 0.00 0.00 0.00 175.10 174.98 2va3 s VAL 32 N -1.23 -0.08 -0.19 0.00 1.01 -0.82 -2.08 120.40 117.00 2va3 s VAL 32 Ca 0.37 -2.00 -0.29 0.00 0.00 0.00 0.00 61.98 60.06 2va3 s VAL 32 Cb -0.03 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 2va3 s VAL 32 CO 0.23 -0.85 1.27 -0.36 0.00 0.00 0.00 175.10 175.40 2va3 s PHE 33 N 0.48 2.82 -0.13 5.22 0.40 -1.26 -3.31 117.98 122.20 2va3 s PHE 33 Ca 0.29 0.98 0.17 0.00 -0.60 0.00 0.00 56.93 57.78 2va3 s PHE 33 Cb -0.01 -3.57 -0.10 0.00 0.51 0.00 0.00 43.02 39.86 2va3 s PHE 33 CO -0.13 -1.71 0.94 0.66 0.70 0.00 0.00 175.22 175.67 2va3 h SER 34 N 8.39 0.00 0.00 1.36 4.64 -1.81 -3.48 113.55 122.65 2va3 h SER 34 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2va3 h SER 34 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2va3 h SER 34 CO 0.98 0.53 0.00 0.61 -0.87 0.00 0.00 176.83 178.08 2va3 n GLY 35 N 1.35 3.19 0.12 -0.77 0.00 -1.26 -4.91 105.19 102.92 2va3 n GLY 35 Ca -0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.02 2va3 n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2va3 n ARG 36 N -1.25 -0.03 -2.88 1.61 1.74 -1.26 -1.72 116.66 112.87 2va3 n ARG 36 Ca 0.00 0.54 -0.12 0.00 -0.77 0.00 0.00 57.85 57.50 2va3 n ARG 36 Cb 0.00 -0.88 0.04 0.00 -1.02 0.00 0.00 32.46 30.60 2va3 n ARG 36 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 2va3 n PHE 37 N -4.21 -2.09 0.00 -1.55 1.16 -1.26 -4.96 117.46 104.54 2va3 n PHE 37 Ca 0.10 -2.54 0.00 0.00 -1.87 0.00 0.00 57.45 53.14 2va3 n PHE 37 Cb 0.33 0.99 0.00 0.00 -1.61 0.00 0.00 39.48 39.18 2va3 n PHE 37 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 2va3 n GLU 38 N 0.75 0.00 -0.58 3.97 2.13 -0.70 -3.85 120.64 122.36 2va3 n GLU 38 Ca 0.12 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.86 2va3 n GLU 38 Cb 0.66 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.40 2va3 n GLU 38 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2va3 n ASP 39 N 5.26 4.92 -4.76 4.31 8.00 -1.26 -4.15 116.55 128.87 2va3 n ASP 39 Ca 0.00 -2.65 -0.30 0.00 0.71 0.00 0.00 54.79 52.54 2va3 n ASP 39 Cb 0.00 -0.90 0.11 0.00 -0.02 0.00 0.00 41.12 40.31 2va3 n ASP 39 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2va3 s SER 40 N 0.72 4.13 0.00 -2.24 0.15 -1.25 -4.12 113.70 111.08 2va3 s SER 40 Ca 0.17 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.32 2va3 s SER 40 Cb 0.14 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 2va3 s SER 40 CO 0.01 -2.23 0.00 0.61 1.20 0.00 0.00 173.24 172.83 2va3 n GLY 41 N -1.52 1.12 0.00 9.45 0.00 -1.26 -2.77 105.19 110.21 2va3 n GLY 41 Ca 0.07 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.92 2va3 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2va3 n ALA 42 N 0.18 0.00 -2.84 4.61 0.00 -1.21 -1.45 120.51 119.81 2va3 n ALA 42 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 2va3 n ALA 42 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2va3 n ALA 42 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2va3 s VAL 43 N -0.78 4.78 -0.00 0.00 1.01 -0.60 -1.95 120.40 122.86 2va3 s VAL 43 Ca 0.00 -0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.74 2va3 s VAL 43 Cb 0.00 -3.20 -0.19 0.00 0.00 0.00 0.00 36.38 32.99 2va3 s VAL 43 CO 0.00 0.40 1.19 0.00 0.00 0.00 0.00 175.10 176.68 2va3 h ALA 44 N 7.35 0.12 -1.64 5.51 0.00 -0.62 -0.98 119.26 128.99 2va3 h ALA 44 Ca -0.37 -0.41 0.31 0.00 0.00 0.00 0.00 54.91 54.43 2va3 h ALA 44 Cb 1.17 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.85 2va3 h ALA 44 CO 0.65 0.12 0.79 -0.08 0.00 0.00 0.00 179.25 180.74 2va3 s THR 45 N -3.69 0.00 -0.17 0.00 -1.32 -1.07 -4.48 115.64 104.91 2va3 s THR 45 Ca -0.15 -0.27 -0.13 0.00 -1.21 0.00 0.00 61.69 59.93 2va3 s THR 45 Cb 0.03 -2.13 0.05 0.00 -1.51 0.00 0.00 72.50 68.94 2va3 s THR 45 CO 0.76 0.00 0.43 0.00 -2.21 0.00 0.00 174.62 173.60 2va3 s ALA 46 N -2.46 -1.09 1.10 11.08 0.00 -1.26 -0.71 121.76 128.42 2va3 s ALA 46 Ca 0.16 1.38 -0.17 0.00 0.00 0.00 0.00 51.96 53.33 2va3 s ALA 46 Cb 0.03 -0.82 0.11 0.00 0.00 0.00 0.00 23.12 22.45 2va3 s ALA 46 CO -0.03 -0.23 0.14 0.27 0.00 0.00 0.00 175.76 175.91 2va3 n ASN 47 N 3.45 -2.27 0.23 0.00 0.23 -0.87 -4.54 115.26 111.49 2va3 n ASN 47 Ca -0.17 -0.07 0.09 0.00 -0.53 0.00 0.00 54.58 53.90 2va3 n ASN 47 Cb 0.56 -1.02 0.53 0.00 -2.08 0.00 0.00 39.78 37.78 2va3 n ASN 47 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 2va3 h TYR 48 N -2.06 0.00 0.00 -2.53 -1.99 -1.96 -1.89 116.97 106.54 2va3 h TYR 48 Ca -0.53 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.19 2va3 h TYR 48 Cb 1.35 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.08 2va3 h TYR 48 CO 0.19 0.23 -0.07 1.49 -0.00 0.00 0.00 178.16 180.01 2va3 h GLU 49 N 0.00 0.00 0.00 4.88 4.57 -1.89 -2.31 114.58 119.83 2va3 h GLU 49 Ca -0.00 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.85 2va3 h GLU 49 Cb 0.59 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.12 2va3 h GLU 49 CO 0.03 0.07 -2.17 0.00 -1.18 0.00 0.00 179.01 175.76 2va3 n ALA 50 N -2.31 1.55 0.19 2.92 0.00 -0.77 -4.31 120.51 117.77 2va3 n ALA 50 Ca -0.02 -1.14 0.04 0.00 0.00 0.00 0.00 53.44 52.32 2va3 n ALA 50 Cb 0.17 -0.40 0.37 0.00 0.00 0.00 0.00 19.45 19.59 2va3 n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2va3 h ARG 51 N 0.00 0.00 0.00 0.00 3.08 -0.98 -2.75 114.38 113.74 2va3 h ARG 51 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2va3 h ARG 51 Cb 2.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.18 2va3 h ARG 51 CO 0.04 0.38 0.00 1.57 -1.07 0.00 0.00 179.97 180.89 2va3 h LYS 52 N 0.00 0.00 -0.44 0.04 2.10 -1.62 -2.01 116.57 114.64 2va3 h LYS 52 Ca -0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.56 2va3 h LYS 52 Cb 0.74 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.02 2va3 h LYS 52 CO 0.05 0.00 0.06 1.19 -2.00 0.00 0.00 179.45 178.75 2va3 n PHE 53 N -2.78 1.50 0.00 0.07 3.01 -1.04 -4.95 117.46 113.27 2va3 n PHE 53 Ca -0.02 -1.05 0.00 0.00 1.01 0.00 0.00 57.45 57.40 2va3 n PHE 53 Cb 0.10 -0.46 0.00 0.00 -0.01 0.00 0.00 39.48 39.11 2va3 n PHE 53 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2va3 n GLY 54 N -0.37 3.13 3.72 1.37 0.00 -0.76 -4.99 105.19 107.30 2va3 n GLY 54 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 2va3 n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2va3 s VAL 55 N -2.20 3.00 0.08 1.61 1.01 -1.19 -4.98 120.40 117.73 2va3 s VAL 55 Ca 0.00 0.75 -0.27 0.00 0.00 0.00 0.00 61.98 62.46 2va3 s VAL 55 Cb 0.00 -3.48 0.09 0.00 0.00 0.00 0.00 36.38 32.99 2va3 s VAL 55 CO 0.00 0.08 1.13 -1.59 0.00 0.00 0.00 175.10 174.71 2va3 s LYS 56 N 0.67 0.82 0.27 2.72 -2.85 -1.26 -3.58 119.74 116.53 2va3 s LYS 56 Ca 0.64 -0.47 -0.30 0.00 -1.00 0.00 0.00 55.97 54.84 2va3 s LYS 56 Cb -0.39 0.27 -0.13 0.00 -2.06 0.00 0.00 37.83 35.51 2va3 s LYS 56 CO 0.34 -0.38 1.31 0.00 0.10 0.00 0.00 175.35 176.72 2va3 n ALA 57 N -0.53 0.85 0.00 0.59 0.00 -1.26 -2.84 120.51 117.32 2va3 n ALA 57 Ca -0.06 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2va3 n ALA 57 Cb 0.61 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.85 2va3 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2va3 n GLY 58 N 1.67 3.11 3.77 0.00 0.00 -0.37 -4.93 105.19 108.44 2va3 n GLY 58 Ca 0.10 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 2va3 n GLY 58 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2va3 s ILE 59 N -0.41 3.09 0.77 -0.61 -4.36 -1.13 -4.60 121.20 113.96 2va3 s ILE 59 Ca 0.00 0.81 -0.14 0.00 -0.26 0.00 0.00 60.65 61.06 2va3 s ILE 59 Cb 0.00 -3.41 0.06 0.00 1.25 0.00 0.00 42.46 40.37 2va3 s ILE 59 CO 0.00 -0.02 1.22 -2.84 0.24 0.00 0.00 174.94 173.55 2va3 s PRO 60 N -2.72 1.82 0.25 0.37 0.02 -1.26 -1.56 135.00 131.92 2va3 s PRO 60 Ca 0.64 1.81 0.07 0.00 0.02 0.00 0.00 61.00 63.54 2va3 s PRO 60 Cb -0.29 -1.79 0.29 0.00 0.02 0.00 0.00 34.50 32.73 2va3 s PRO 60 CO 0.35 -2.09 1.58 0.82 -0.33 0.00 0.00 177.00 177.33 2va3 h ILE 61 N -0.62 1.42 -0.21 2.83 2.04 -1.47 -2.93 117.51 118.57 2va3 h ILE 61 Ca -0.47 -2.07 -0.14 0.00 1.00 0.00 0.00 64.86 63.18 2va3 h ILE 61 Cb 1.30 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 39.46 2va3 h ILE 61 CO 0.48 0.60 -0.46 -0.37 0.00 0.00 0.00 178.15 178.40 2va3 h VAL 62 N 0.09 1.31 0.00 1.67 -1.51 -1.83 -1.30 116.25 114.68 2va3 h VAL 62 Ca -0.01 -1.65 0.00 0.00 -1.23 0.00 0.00 66.70 63.81 2va3 h VAL 62 Cb 1.11 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.91 2va3 h VAL 62 CO 0.09 0.52 0.00 -0.62 -1.23 0.00 0.00 177.57 176.33 2va3 n GLU 63 N -4.00 0.17 -0.06 5.19 4.71 -1.17 -2.39 120.64 123.10 2va3 n GLU 63 Ca -0.02 0.12 -0.20 0.00 -0.01 0.00 0.00 57.16 57.04 2va3 n GLU 63 Cb 0.55 -1.50 -0.13 0.00 -1.01 0.00 0.00 31.44 29.35 2va3 n GLU 63 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2va3 n ALA 64 N -1.37 1.13 0.26 0.62 0.00 -0.62 -4.08 120.51 116.44 2va3 n ALA 64 Ca 0.08 -0.82 0.13 0.00 0.00 0.00 0.00 53.44 52.83 2va3 n ALA 64 Cb 0.20 -0.42 0.67 0.00 0.00 0.00 0.00 19.45 19.90 2va3 n ALA 64 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2va3 h LYS 65 N 0.02 0.00 0.00 0.00 1.57 -1.08 -0.34 116.57 116.74 2va3 h LYS 65 Ca -0.49 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.20 2va3 h LYS 65 Cb 1.96 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.26 2va3 h LYS 65 CO 0.00 0.13 -0.42 0.87 -0.57 0.00 0.00 179.45 179.46 2va3 h LYS 66 N 0.00 0.00 0.02 3.15 1.57 -1.62 -0.94 116.57 118.75 2va3 h LYS 66 Ca -0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 2va3 h LYS 66 Cb 0.48 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2va3 h LYS 66 CO 0.02 0.42 -1.10 0.82 -0.57 0.00 0.00 179.45 179.04 2va3 h ILE 67 N 0.00 1.06 -2.15 1.86 2.04 -1.48 -3.42 117.51 115.42 2va3 h ILE 67 Ca -0.00 -2.24 -0.59 0.00 1.00 0.00 0.00 64.86 63.03 2va3 h ILE 67 Cb 0.76 2.48 -0.41 0.00 -0.74 0.00 0.00 36.82 38.91 2va3 h ILE 67 CO 0.05 0.43 -0.71 0.18 0.00 0.00 0.00 178.15 178.10 2va3 n LEU 68 N -4.37 3.00 -0.08 1.44 4.77 -0.22 -4.91 117.00 116.64 2va3 n LEU 68 Ca -0.28 -5.29 0.00 0.00 -0.03 0.00 0.00 56.01 50.41 2va3 n LEU 68 Cb 0.69 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2va3 n LEU 68 CO 0.25 2.08 0.03 -0.81 -1.33 0.00 0.00 177.39 177.61 2va3 n PRO 69 N 0.90 0.07 0.00 3.23 -0.04 -0.36 -1.31 135.00 137.49 2va3 n PRO 69 Ca 0.28 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2va3 n PRO 69 Cb 0.44 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 2va3 n PRO 69 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2va3 n ASN 70 N -0.35 0.64 -4.79 3.54 3.02 -1.26 -5.06 115.26 110.99 2va3 n ASN 70 Ca 0.00 -1.19 -0.36 0.00 -0.03 0.00 0.00 54.58 53.00 2va3 n ASN 70 Cb 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.13 2va3 n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2va3 s ALA 71 N -0.19 3.07 -0.14 5.41 0.00 -0.43 -4.95 121.76 124.52 2va3 s ALA 71 Ca 0.00 0.64 -0.29 0.00 0.00 0.00 0.00 51.96 52.30 2va3 s ALA 71 Cb 0.00 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 2va3 s ALA 71 CO 0.00 -0.15 1.37 0.08 0.00 0.00 0.00 175.76 177.06 2va3 s VAL 72 N -1.75 4.09 -0.38 0.00 1.01 -0.48 -4.92 120.40 117.97 2va3 s VAL 72 Ca 0.59 1.32 -0.12 0.00 0.00 0.00 0.00 61.98 63.76 2va3 s VAL 72 Cb -0.19 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.34 2va3 s VAL 72 CO 0.24 -0.13 0.24 -0.31 0.00 0.00 0.00 175.10 175.15 2va3 s TYR 73 N 3.67 3.23 0.01 5.22 1.51 -1.26 -1.55 117.35 128.19 2va3 s TYR 73 Ca 0.60 -0.72 0.03 0.00 -1.01 0.00 0.00 57.07 55.96 2va3 s TYR 73 Cb -0.25 -2.49 -0.04 0.00 -0.11 0.00 0.00 41.96 39.08 2va3 s TYR 73 CO 0.19 -0.58 -0.02 -0.51 -1.11 0.00 0.00 175.55 173.51 2va3 s LEU 74 N 1.62 3.39 0.38 -1.29 1.43 -0.55 -4.96 118.68 118.70 2va3 s LEU 74 Ca 0.04 -0.08 -0.24 0.00 -1.03 0.00 0.00 54.13 52.82 2va3 s LEU 74 Cb -0.19 -1.97 -0.10 0.00 0.03 0.00 0.00 46.19 43.96 2va3 s LEU 74 CO 0.08 0.27 0.97 -2.16 0.23 0.00 0.00 176.35 175.73 2va3 s PRO 75 N -1.61 4.36 -0.03 1.29 0.04 -1.26 -0.16 135.00 137.63 2va3 s PRO 75 Ca 0.19 1.29 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 2va3 s PRO 75 Cb -0.11 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 2va3 s PRO 75 CO 0.10 0.08 1.30 1.41 0.04 0.00 0.00 177.00 179.93 2va3 s MET 76 N -2.56 4.31 -0.78 4.56 1.75 -0.88 -4.78 119.30 120.91 2va3 s MET 76 Ca 0.56 1.82 0.03 0.00 -1.25 0.00 0.00 55.69 56.85 2va3 s MET 76 Cb -0.16 -3.57 0.29 0.00 2.84 0.00 0.00 34.83 34.23 2va3 s MET 76 CO 0.20 -0.52 1.07 0.54 -0.65 0.00 0.00 175.02 175.67 2va3 n ARG 77 N 5.31 3.42 -0.43 4.11 1.74 -1.26 -4.93 116.66 124.62 2va3 n ARG 77 Ca 0.12 -4.68 0.37 0.00 -0.77 0.00 0.00 57.85 52.89 2va3 n ARG 77 Cb 0.45 -2.34 0.69 0.00 -1.02 0.00 0.00 32.46 30.24 2va3 n ARG 77 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2va3 h LYS 78 N 4.32 0.10 -0.07 5.56 3.64 -2.00 -1.00 116.57 127.12 2va3 h LYS 78 Ca 0.22 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.48 2va3 h LYS 78 Cb 0.59 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 2va3 h LYS 78 CO 1.00 0.07 -0.48 0.93 -2.27 0.00 0.00 179.45 178.70 2va3 h GLU 79 N 0.10 0.18 -0.22 1.90 4.39 -1.99 -0.88 114.58 118.05 2va3 h GLU 79 Ca 0.71 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 60.26 2va3 h GLU 79 Cb 2.49 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 31.13 2va3 h GLU 79 CO -0.18 0.62 -0.08 0.28 -1.16 0.00 0.00 179.01 178.49 2va3 h VAL 80 N 0.14 1.30 -0.18 3.13 2.07 -1.61 -2.88 116.25 118.21 2va3 h VAL 80 Ca 0.01 -1.12 -0.09 0.00 0.82 0.00 0.00 66.70 66.32 2va3 h VAL 80 Cb 0.90 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 2va3 h VAL 80 CO 0.07 0.34 -0.27 1.88 0.02 0.00 0.00 177.57 179.62 2va3 h TYR 81 N 0.17 0.37 0.00 1.57 0.05 -1.49 -2.37 116.97 115.27 2va3 h TYR 81 Ca 0.05 -0.07 -0.05 0.00 0.05 0.00 0.00 58.73 58.71 2va3 h TYR 81 Cb 0.56 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 2va3 h TYR 81 CO 0.06 0.58 -0.25 0.37 -1.05 0.00 0.00 178.16 177.87 2va3 h GLN 82 N 0.30 0.00 0.00 4.88 5.75 -1.09 -1.45 115.11 123.49 2va3 h GLN 82 Ca 0.04 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.51 2va3 h GLN 82 Cb 0.64 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 2va3 h GLN 82 CO 0.05 0.25 -0.83 1.96 -2.65 0.00 0.00 178.83 177.61 2va3 h GLN 83 N 0.00 0.00 0.04 1.69 4.20 -1.22 -2.63 115.11 117.19 2va3 h GLN 83 Ca -0.00 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.47 2va3 h GLN 83 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2va3 h GLN 83 CO 0.03 0.09 -1.03 0.28 -0.67 0.00 0.00 178.83 177.54 2va3 h VAL 84 N 0.00 1.44 -0.21 -0.54 2.07 -1.08 -2.68 116.25 115.26 2va3 h VAL 84 Ca -0.03 -2.66 -0.02 0.00 0.82 0.00 0.00 66.70 64.81 2va3 h VAL 84 Cb 1.13 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 33.49 2va3 h VAL 84 CO 0.01 0.79 0.05 -1.28 0.02 0.00 0.00 177.57 177.16 2va3 h SER 85 N 0.16 0.32 -0.48 0.57 0.87 -1.32 -0.88 113.55 112.79 2va3 h SER 85 Ca -0.09 -0.22 0.03 0.00 -1.23 0.00 0.00 61.79 60.27 2va3 h SER 85 Cb 1.69 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 63.53 2va3 h SER 85 CO 0.17 0.46 0.27 0.28 -0.53 0.00 0.00 176.83 177.48 2va3 h SER 86 N 0.16 0.42 0.01 6.23 0.02 -1.50 0.38 113.55 119.28 2va3 h SER 86 Ca 0.07 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2va3 h SER 86 Cb 0.26 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 2va3 h SER 86 CO -0.00 0.29 -0.10 0.03 -1.14 0.00 0.00 176.83 175.92 2va3 h ARG 87 N 0.53 -0.17 0.00 3.45 3.08 -1.32 0.66 114.38 120.62 2va3 h ARG 87 Ca 0.20 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 2va3 h ARG 87 Cb 0.06 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 2va3 h ARG 87 CO -0.11 -0.11 -0.12 0.82 -1.07 0.00 0.00 179.97 179.38 2va3 h ILE 88 N -0.17 1.06 0.09 2.04 2.04 -0.39 -2.99 117.51 119.17 2va3 h ILE 88 Ca 0.03 -0.41 -0.14 0.00 1.00 0.00 0.00 64.86 65.35 2va3 h ILE 88 Cb 0.21 1.22 0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2va3 h ILE 88 CO -0.09 0.12 -0.60 0.24 0.00 0.00 0.00 178.15 177.82 2va3 h MET 89 N 0.00 0.25 -0.06 2.37 2.86 0.29 -3.16 114.93 117.49 2va3 h MET 89 Ca -0.00 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 2va3 h MET 89 Cb 0.21 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.01 2va3 h MET 89 CO 0.02 1.15 0.00 0.09 1.06 0.00 0.00 176.91 179.23 2va3 n ASN 90 N -4.25 0.06 -0.02 1.22 3.02 0.17 -0.49 115.26 114.97 2va3 n ASN 90 Ca -0.12 -0.58 -0.00 0.00 -0.03 0.00 0.00 54.58 53.85 2va3 n ASN 90 Cb 0.72 -0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.80 2va3 n ASN 90 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2va3 n LEU 91 N -0.31 0.00 0.09 3.41 0.00 -1.20 -4.54 117.00 114.45 2va3 n LEU 91 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 56.01 55.95 2va3 n LEU 91 Cb 0.02 0.10 -0.01 0.00 0.00 0.00 0.00 43.42 43.53 2va3 n LEU 91 CO 0.00 0.10 0.27 -0.07 0.00 0.00 0.00 177.39 177.69 2va3 h LEU 92 N 0.00 0.04 -2.25 -1.96 3.38 -0.79 -3.05 115.31 110.67 2va3 h LEU 92 Ca -0.11 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.85 2va3 h LEU 92 Cb 0.98 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2va3 h LEU 92 CO 0.01 0.88 0.25 0.03 0.09 0.00 0.00 178.44 179.70 2va3 h ARG 93 N 0.02 0.00 0.00 1.13 3.08 -1.76 0.34 114.38 117.19 2va3 h ARG 93 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2va3 h ARG 93 Cb 1.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.56 2va3 h ARG 93 CO 0.12 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.41 2va3 n GLU 94 N -3.22 0.71 0.00 0.04 4.71 -1.15 -2.36 120.64 119.37 2va3 n GLU 94 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2va3 n GLU 94 Cb 0.33 -1.33 0.00 0.00 -1.01 0.00 0.00 31.44 29.43 2va3 n GLU 94 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2va3 n TYR 95 N -0.83 0.00 0.00 -0.32 4.02 0.12 -5.05 117.16 115.10 2va3 n TYR 95 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 2va3 n TYR 95 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 2va3 n TYR 95 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2va3 n SER 96 N -0.12 0.00 0.05 7.72 2.88 -0.99 -4.87 113.62 118.28 2va3 n SER 96 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 2va3 n SER 96 Cb 0.04 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 63.97 2va3 n SER 96 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2va3 n GLU 97 N 0.00 0.10 -2.98 -1.46 -0.58 -1.26 -4.11 120.64 110.35 2va3 n GLU 97 Ca 0.00 0.18 -0.44 0.00 -0.42 0.00 0.00 57.16 56.48 2va3 n GLU 97 Cb 0.00 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.24 2va3 n GLU 97 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2va3 n LYS 98 N -1.81 3.60 -4.64 3.49 5.02 -1.26 -4.98 118.16 117.57 2va3 n LYS 98 Ca 0.05 -4.07 -0.25 0.00 -2.02 0.00 0.00 58.31 52.02 2va3 n LYS 98 Cb 0.31 -2.81 -0.14 0.00 -0.02 0.00 0.00 35.03 32.37 2va3 n LYS 98 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2va3 s ILE 99 N -0.01 1.61 -0.22 -0.18 2.07 -1.26 0.20 121.20 123.41 2va3 s ILE 99 Ca 0.37 -1.16 -0.01 0.00 -1.41 0.00 0.00 60.65 58.44 2va3 s ILE 99 Cb -0.02 -1.40 0.06 0.00 0.13 0.00 0.00 42.46 41.23 2va3 s ILE 99 CO -0.01 0.20 0.01 -0.70 -1.91 0.00 0.00 174.94 172.54 2va3 s GLU 100 N -1.13 0.96 -1.06 3.50 2.12 0.34 -4.11 118.70 119.32 2va3 s GLU 100 Ca 0.07 -0.67 -0.22 0.00 0.36 0.00 0.00 54.97 54.51 2va3 s GLU 100 Cb -0.09 -2.26 0.06 0.00 0.26 0.00 0.00 34.13 32.10 2va3 s GLU 100 CO 0.02 -0.66 1.48 0.42 -0.54 0.00 0.00 175.26 175.98 2va3 s ILE 101 N 1.69 3.99 0.03 -3.70 1.09 -1.26 -1.29 121.20 121.74 2va3 s ILE 101 Ca -0.01 -0.99 -0.26 0.00 -1.10 0.00 0.00 60.65 58.28 2va3 s ILE 101 Cb -0.18 -5.07 -0.17 0.00 -1.06 0.00 0.00 42.46 35.99 2va3 s ILE 101 CO -0.09 -1.93 1.34 0.00 -0.10 0.00 0.00 174.94 174.16 2va3 h ALA 102 N 9.39 -0.50 -3.75 9.38 0.00 -1.72 -3.45 119.26 128.61 2va3 h ALA 102 Ca 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2va3 h ALA 102 Cb 0.99 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2va3 h ALA 102 CO 1.42 -0.65 0.00 0.45 0.00 0.00 0.00 179.25 180.47 2va3 n SER 103 N -5.20 1.82 -0.01 0.00 2.88 -0.70 -4.97 113.62 107.45 2va3 n SER 103 Ca -0.10 -0.82 0.14 0.00 -1.33 0.00 0.00 58.87 56.76 2va3 n SER 103 Cb 0.27 0.00 0.60 0.00 -0.75 0.00 0.00 64.21 64.33 2va3 n SER 103 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2va3 n ILE 104 N 0.00 0.00 -0.79 2.46 3.06 -1.26 -3.75 119.36 119.07 2va3 n ILE 104 Ca 0.00 -0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 2va3 n ILE 104 Cb 0.00 -0.40 0.00 0.00 0.54 0.00 0.00 39.64 39.78 2va3 n ILE 104 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 2va3 n ASP 105 N -1.44 0.21 -4.23 9.51 5.75 -1.26 -4.79 116.55 120.30 2va3 n ASP 105 Ca 0.08 -1.00 -0.32 0.00 -0.01 0.00 0.00 54.79 53.54 2va3 n ASP 105 Cb 0.32 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.24 2va3 n ASP 105 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2va3 s GLU 106 N -0.00 2.85 -0.00 0.11 2.02 -1.25 -1.83 118.70 120.61 2va3 s GLU 106 Ca 0.00 -0.87 -0.05 0.00 0.02 0.00 0.00 54.97 54.07 2va3 s GLU 106 Cb 0.00 -2.22 -0.00 0.00 0.10 0.00 0.00 34.13 32.01 2va3 s GLU 106 CO 0.00 0.23 0.10 0.00 0.02 0.00 0.00 175.26 175.61 2va3 s ALA 107 N 0.21 -0.24 -0.10 5.21 0.00 -0.67 -1.72 121.76 124.46 2va3 s ALA 107 Ca -0.15 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.71 2va3 s ALA 107 Cb -0.17 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 2va3 s ALA 107 CO 0.07 -0.17 -0.17 0.71 0.00 0.00 0.00 175.76 176.20 2va3 s TYR 108 N -1.10 2.69 -0.15 0.00 1.51 -0.41 -0.71 117.35 119.18 2va3 s TYR 108 Ca -0.12 -0.66 0.02 0.00 -1.01 0.00 0.00 57.07 55.30 2va3 s TYR 108 Cb -0.07 -1.75 0.02 0.00 -0.11 0.00 0.00 41.96 40.05 2va3 s TYR 108 CO 0.01 -0.19 -0.20 -0.51 -1.11 0.00 0.00 175.55 173.55 2va3 s LEU 109 N 0.11 2.04 -0.45 -1.29 1.02 0.65 -0.51 118.68 120.25 2va3 s LEU 109 Ca -0.08 -0.59 -0.25 0.00 0.02 0.00 0.00 54.13 53.23 2va3 s LEU 109 Cb -0.15 -1.40 0.03 0.00 0.02 0.00 0.00 46.19 44.69 2va3 s LEU 109 CO 0.05 0.03 0.87 -0.62 0.02 0.00 0.00 176.35 176.70 2va3 s ASP 110 N 1.10 6.47 -0.42 2.29 -1.08 0.13 -0.80 116.67 124.35 2va3 s ASP 110 Ca -0.01 0.05 0.07 0.00 -0.52 0.00 0.00 52.55 52.14 2va3 s ASP 110 Cb -0.14 -2.43 0.42 0.00 -1.46 0.00 0.00 42.92 39.32 2va3 s ASP 110 CO -0.07 -0.99 1.07 2.30 0.52 0.00 0.00 175.17 178.00 2va3 n ILE 111 N 6.30 2.14 1.39 4.11 -6.64 -0.72 -4.59 119.36 121.35 2va3 n ILE 111 Ca 0.05 -4.64 0.15 0.00 -1.77 0.00 0.00 62.75 56.53 2va3 n ILE 111 Cb 0.48 -0.94 0.73 0.00 -1.44 0.00 0.00 39.64 38.47 2va3 n ILE 111 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 2va3 n SER 112 N -0.40 0.05 -0.00 7.28 7.64 -1.24 -3.59 113.62 123.37 2va3 n SER 112 Ca 0.34 -0.15 -0.01 0.00 1.01 0.00 0.00 58.87 60.06 2va3 n SER 112 Cb 0.68 -0.27 -0.00 0.00 -1.01 0.00 0.00 64.21 63.61 2va3 n SER 112 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2va3 n ASP 113 N -1.27 0.19 -0.04 6.43 10.43 -1.26 -4.49 116.55 126.54 2va3 n ASP 113 Ca 0.14 0.03 0.07 0.00 2.57 0.00 0.00 54.79 57.60 2va3 n ASP 113 Cb 0.25 -0.25 0.11 0.00 1.84 0.00 0.00 41.12 43.07 2va3 n ASP 113 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2va3 n LYS 114 N -2.68 0.00 -4.10 -1.24 4.76 -1.26 -4.15 118.16 109.49 2va3 n LYS 114 Ca -0.01 0.29 -0.10 0.00 -2.87 0.00 0.00 58.31 55.63 2va3 n LYS 114 Cb 0.03 -0.73 -0.10 0.00 -1.84 0.00 0.00 35.03 32.38 2va3 n LYS 114 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2va3 s VAL 115 N -2.61 0.43 0.00 -0.18 1.01 -1.24 -5.05 120.40 112.77 2va3 s VAL 115 Ca -0.01 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 60.36 2va3 s VAL 115 Cb 0.03 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.16 2va3 s VAL 115 CO 0.12 -0.78 0.69 0.54 0.00 0.00 0.00 175.10 175.66 2va3 n ARG 116 N 0.49 0.00 -3.80 2.72 5.12 -1.26 -4.68 116.66 115.24 2va3 n ARG 116 Ca -0.16 0.39 0.03 0.00 -1.93 0.00 0.00 57.85 56.18 2va3 n ARG 116 Cb 0.59 -1.19 0.01 0.00 -1.16 0.00 0.00 32.46 30.71 2va3 n ARG 116 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 2va3 s ASP 117 N -2.40 -0.01 0.00 0.55 1.47 -1.26 -5.05 116.67 109.97 2va3 s ASP 117 Ca 0.00 -0.08 0.00 0.00 1.18 0.00 0.00 52.55 53.65 2va3 s ASP 117 Cb 0.00 0.07 0.00 0.00 -0.34 0.00 0.00 42.92 42.65 2va3 s ASP 117 CO 0.00 -0.13 0.73 -1.22 0.68 0.00 0.00 175.17 175.23 2va3 n TYR 118 N -0.73 0.00 -0.63 2.11 0.53 -1.26 0.22 117.16 117.40 2va3 n TYR 118 Ca -0.02 0.00 0.48 0.00 -1.02 0.00 0.00 57.90 57.34 2va3 n TYR 118 Cb 0.61 -0.36 0.75 0.00 -1.03 0.00 0.00 39.34 39.31 2va3 n TYR 118 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2va3 n ARG 119 N -2.68 -0.01 -0.06 -0.72 3.00 -1.26 0.84 116.66 115.77 2va3 n ARG 119 Ca 0.00 1.07 -0.22 0.00 -0.01 0.00 0.00 57.85 58.69 2va3 n ARG 119 Cb 0.00 -2.37 -0.12 0.00 0.00 0.00 0.00 32.46 29.96 2va3 n ARG 119 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2va3 n GLU 120 N -4.01 0.65 -0.25 5.56 4.07 0.13 -3.05 120.64 123.76 2va3 n GLU 120 Ca 0.42 0.43 0.09 0.00 -0.06 0.00 0.00 57.16 58.03 2va3 n GLU 120 Cb 1.82 -1.72 0.35 0.00 -0.06 0.00 0.00 31.44 31.84 2va3 n GLU 120 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2va3 h ALA 121 N -0.28 1.74 -0.06 4.31 0.00 0.23 0.37 119.26 125.58 2va3 h ALA 121 Ca -0.40 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2va3 h ALA 121 Cb 1.63 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 2va3 h ALA 121 CO -0.10 0.08 0.03 -0.92 0.00 0.00 0.00 179.25 178.34 2va3 h TYR 122 N 0.77 0.09 0.00 0.00 3.20 0.29 0.25 116.97 121.56 2va3 h TYR 122 Ca 0.39 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.26 2va3 h TYR 122 Cb 0.49 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.73 2va3 h TYR 122 CO -0.00 0.14 0.00 -0.91 -1.64 0.00 0.00 178.16 175.75 2va3 h ASN 123 N 0.01 0.00 1.27 -2.11 2.35 -0.50 0.47 115.58 117.06 2va3 h ASN 123 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2va3 h ASN 123 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 2va3 h ASN 123 CO -0.00 0.00 -0.69 0.25 -1.65 0.00 0.00 177.43 175.33 2va3 h LEU 124 N 0.00 0.00 -0.41 1.61 5.85 0.69 -2.93 115.31 120.12 2va3 h LEU 124 Ca 0.00 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.54 2va3 h LEU 124 Cb 0.23 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2va3 h LEU 124 CO 0.00 0.01 -0.79 1.23 -0.34 0.00 0.00 178.44 178.55 2va3 h GLY 125 N 4.04 0.00 1.73 3.75 0.00 0.33 -2.82 103.07 110.10 2va3 h GLY 125 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 2va3 h GLY 125 CO 0.00 0.00 -1.18 1.41 0.00 0.00 0.00 176.54 176.77 2va3 h LEU 126 N 0.00 0.14 -0.42 3.11 3.38 -1.30 -2.65 115.31 117.57 2va3 h LEU 126 Ca -0.01 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 2va3 h LEU 126 Cb 1.40 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 2va3 h LEU 126 CO 0.10 1.13 0.07 -0.33 0.09 0.00 0.00 178.44 179.50 2va3 h GLU 127 N 0.02 0.69 0.10 1.13 5.08 -1.53 -2.05 114.58 118.02 2va3 h GLU 127 Ca -0.09 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2va3 h GLU 127 Cb 1.87 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.04 2va3 h GLU 127 CO 0.15 0.72 -0.05 0.82 -1.00 0.00 0.00 179.01 179.65 2va3 h ILE 128 N 0.54 1.06 -0.30 3.13 2.04 -1.58 -0.42 117.51 121.99 2va3 h ILE 128 Ca 0.13 -0.62 0.07 0.00 1.00 0.00 0.00 64.86 65.44 2va3 h ILE 128 Cb 0.37 1.46 -0.08 0.00 -0.74 0.00 0.00 36.82 37.83 2va3 h ILE 128 CO 0.01 0.15 -0.23 0.11 0.00 0.00 0.00 178.15 178.19 2va3 h LYS 129 N -0.41 -0.20 -0.26 2.37 1.57 -1.48 -0.40 116.57 117.76 2va3 h LYS 129 Ca -0.01 0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 2va3 h LYS 129 Cb 0.35 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2va3 h LYS 129 CO 0.02 -0.13 -0.36 -0.97 -0.57 0.00 0.00 179.45 177.43 2va3 h ASN 130 N -0.21 0.60 -0.46 0.86 -0.73 -1.37 -1.30 115.58 112.97 2va3 h ASN 130 Ca 0.16 -0.25 -0.07 0.00 1.87 0.00 0.00 56.30 58.00 2va3 h ASN 130 Cb 0.45 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.85 2va3 h ASN 130 CO -0.42 0.91 0.03 0.50 -0.37 0.00 0.00 177.43 178.09 2va3 h LYS 131 N 0.48 0.86 -0.29 6.67 1.63 -0.67 -0.15 116.57 125.10 2va3 h LYS 131 Ca 0.05 -0.23 -0.15 0.00 -0.85 0.00 0.00 60.65 59.47 2va3 h LYS 131 Cb 0.85 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.37 2va3 h LYS 131 CO 0.07 0.84 -0.42 0.82 -3.45 0.00 0.00 179.45 177.31 2va3 h ILE 132 N 0.81 1.29 -0.33 2.00 2.04 -0.80 -0.50 117.51 122.01 2va3 h ILE 132 Ca 0.16 -1.60 -0.16 0.00 1.00 0.00 0.00 64.86 64.26 2va3 h ILE 132 Cb 0.43 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2va3 h ILE 132 CO 0.02 0.52 -0.43 0.25 0.00 0.00 0.00 178.15 178.50 2va3 h LEU 133 N 0.59 0.96 0.53 1.44 5.85 -0.97 -0.98 115.31 122.72 2va3 h LEU 133 Ca 0.04 -0.49 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 2va3 h LEU 133 Cb 0.97 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.73 2va3 h LEU 133 CO 0.09 1.26 -0.25 -0.08 -0.34 0.00 0.00 178.44 179.12 2va3 h GLU 134 N 0.68 -0.68 -0.52 1.25 4.22 -0.97 0.18 114.58 118.75 2va3 h GLU 134 Ca 0.04 0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.50 2va3 h GLU 134 Cb 1.03 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2va3 h GLU 134 CO 0.10 -0.42 0.20 0.87 -2.18 0.00 0.00 179.01 177.58 2va3 h LYS 135 N -1.15 0.78 -0.00 1.92 1.79 -1.18 -3.36 116.57 115.37 2va3 h LYS 135 Ca -0.07 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 2va3 h LYS 135 Cb 0.58 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 2va3 h LYS 135 CO 0.12 0.69 -0.01 0.39 -1.08 0.00 0.00 179.45 179.56 2va3 n GLU 136 N -4.53 -0.06 -1.26 3.15 -0.58 -0.40 -5.02 120.64 111.94 2va3 n GLU 136 Ca 0.02 -0.53 -0.09 0.00 -0.42 0.00 0.00 57.16 56.14 2va3 n GLU 136 Cb 0.16 -0.98 -0.04 0.00 -0.57 0.00 0.00 31.44 30.01 2va3 n GLU 136 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2va3 n LYS 137 N -0.02 -0.90 -4.08 3.49 4.76 0.05 -4.97 118.16 116.49 2va3 n LYS 137 Ca 0.01 0.76 -0.35 0.00 -2.87 0.00 0.00 58.31 55.86 2va3 n LYS 137 Cb 0.04 -4.73 -0.09 0.00 -1.84 0.00 0.00 35.03 28.40 2va3 n LYS 137 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2va3 s ILE 138 N -2.19 4.73 -0.11 -0.18 -1.09 -1.21 -4.92 121.20 116.22 2va3 s ILE 138 Ca 0.00 -0.06 -0.13 0.00 -2.23 0.00 0.00 60.65 58.22 2va3 s ILE 138 Cb 0.00 -3.10 -0.05 0.00 -1.58 0.00 0.00 42.46 37.73 2va3 s ILE 138 CO 0.00 0.50 0.31 0.42 -1.23 0.00 0.00 174.94 174.94 2va3 s THR 139 N 0.03 5.26 0.09 2.92 -4.23 -1.26 -3.43 115.64 115.02 2va3 s THR 139 Ca 0.05 0.60 0.02 0.00 -1.18 0.00 0.00 61.69 61.18 2va3 s THR 139 Cb -0.12 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.05 2va3 s THR 139 CO 0.01 0.46 -0.08 0.68 -0.54 0.00 0.00 174.62 175.15 2va3 s VAL 140 N -0.11 0.75 0.10 2.29 -7.23 -1.26 -2.08 120.40 112.86 2va3 s VAL 140 Ca 0.19 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 2va3 s VAL 140 Cb -0.14 -1.39 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 2va3 s VAL 140 CO 0.07 -0.68 0.25 -0.89 -0.31 0.00 0.00 175.10 173.53 2va3 s THR 141 N -2.84 5.35 -0.03 5.32 2.01 -0.77 -3.99 115.64 120.67 2va3 s THR 141 Ca 0.06 -0.43 0.05 0.00 0.31 0.00 0.00 61.69 61.68 2va3 s THR 141 Cb -0.00 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 2va3 s THR 141 CO -0.02 0.06 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.11 2va3 s VAL 142 N -1.60 1.40 -0.03 3.82 1.01 -0.25 -2.32 120.40 122.44 2va3 s VAL 142 Ca 0.36 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.69 2va3 s VAL 142 Cb -0.12 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 2va3 s VAL 142 CO 0.28 0.40 -0.25 -0.83 0.00 0.00 0.00 175.10 174.70 2va3 s GLY 143 N -0.11 1.24 -0.04 4.51 0.00 0.13 -1.70 107.32 111.35 2va3 s GLY 143 Ca -0.00 -1.06 -0.00 0.00 0.00 0.00 0.00 44.72 43.66 2va3 s GLY 143 CO 0.01 -0.80 0.00 -0.42 0.00 0.00 0.00 173.10 171.89 2va3 s ILE 144 N -0.43 0.22 0.22 0.90 1.01 -1.01 0.63 121.20 122.75 2va3 s ILE 144 Ca 0.05 0.11 -0.15 0.00 0.00 0.00 0.00 60.65 60.66 2va3 s ILE 144 Cb -0.11 -0.34 0.06 0.00 0.01 0.00 0.00 42.46 42.07 2va3 s ILE 144 CO 0.01 0.18 0.74 -0.24 0.00 0.00 0.00 174.94 175.63 2va3 n SER 145 N 4.44 -1.58 -0.24 3.58 2.88 -0.84 -1.12 113.62 120.75 2va3 n SER 145 Ca -0.20 -1.96 0.12 0.00 -1.33 0.00 0.00 58.87 55.50 2va3 n SER 145 Cb 0.50 2.60 0.40 0.00 -0.75 0.00 0.00 64.21 66.96 2va3 n SER 145 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2va3 h LYS 146 N 0.00 0.62 0.00 -1.46 1.63 -1.77 -0.69 116.57 114.90 2va3 h LYS 146 Ca -0.24 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 2va3 h LYS 146 Cb 0.97 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.46 2va3 h LYS 146 CO 0.31 0.41 0.00 0.27 -3.45 0.00 0.00 179.45 176.99 2va3 n ASN 147 N -4.53 0.06 -0.04 4.20 0.23 -1.26 -4.43 115.26 109.49 2va3 n ASN 147 Ca 0.16 -0.47 -0.11 0.00 -0.53 0.00 0.00 54.58 53.63 2va3 n ASN 147 Cb 0.45 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.05 2va3 n ASN 147 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2va3 h LYS 148 N 0.00 -0.03 -0.77 -3.83 1.57 -1.88 -2.28 116.57 109.36 2va3 h LYS 148 Ca 0.00 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.96 2va3 h LYS 148 Cb 0.00 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.19 2va3 h LYS 148 CO 0.00 0.67 0.13 0.28 -0.57 0.00 0.00 179.45 179.96 2va3 h VAL 149 N -0.94 0.41 0.04 0.50 2.07 -1.97 0.68 116.25 117.04 2va3 h VAL 149 Ca -0.00 -0.07 -0.24 0.00 0.82 0.00 0.00 66.70 67.21 2va3 h VAL 149 Cb 0.71 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2va3 h VAL 149 CO 0.01 0.04 -1.02 -0.26 0.02 0.00 0.00 177.57 176.35 2va3 h PHE 150 N 0.20 0.52 -0.43 1.57 -1.00 -1.97 -0.85 116.94 114.98 2va3 h PHE 150 Ca 0.44 -0.31 0.00 0.00 2.81 0.00 0.00 57.97 60.91 2va3 h PHE 150 Cb 0.79 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 40.29 2va3 h PHE 150 CO -0.32 1.16 0.27 0.00 -1.61 0.00 0.00 178.31 177.82 2va3 h ALA 151 N 0.73 0.55 -0.32 2.45 0.00 -0.37 0.47 119.26 122.77 2va3 h ALA 151 Ca -0.09 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2va3 h ALA 151 Cb 1.68 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 2va3 h ALA 151 CO 0.17 0.02 -0.16 -0.22 0.00 0.00 0.00 179.25 179.06 2va3 h LYS 152 N 0.57 0.57 -0.30 0.00 3.64 0.28 -2.19 116.57 119.14 2va3 h LYS 152 Ca 0.16 -0.18 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 2va3 h LYS 152 Cb -0.04 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2va3 h LYS 152 CO -0.03 0.71 -0.15 0.82 -2.27 0.00 0.00 179.45 178.53 2va3 h ILE 153 N 0.51 1.29 -0.66 2.00 2.04 -0.20 -2.99 117.51 119.51 2va3 h ILE 153 Ca 0.09 -1.25 0.09 0.00 1.00 0.00 0.00 64.86 64.79 2va3 h ILE 153 Cb 0.57 1.47 -0.07 0.00 -0.74 0.00 0.00 36.82 38.05 2va3 h ILE 153 CO 0.04 0.40 0.30 0.00 0.00 0.00 0.00 178.15 178.88 2va3 h ALA 154 N 0.75 0.88 -0.86 1.87 0.00 0.13 1.10 119.26 123.13 2va3 h ALA 154 Ca 0.07 0.07 0.25 0.00 0.00 0.00 0.00 54.91 55.29 2va3 h ALA 154 Cb 0.67 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2va3 h ALA 154 CO 0.04 -0.11 0.67 0.00 0.00 0.00 0.00 179.25 179.85 2va3 h ALA 155 N 1.42 2.77 -1.40 0.00 0.00 -1.25 -3.33 119.26 117.46 2va3 h ALA 155 Ca 0.33 -0.03 -0.48 0.00 0.00 0.00 0.00 54.91 54.73 2va3 h ALA 155 Cb 0.36 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2va3 h ALA 155 CO -0.28 -1.12 1.28 -0.51 0.00 0.00 0.00 179.25 178.63 2va3 s ASP 156 N -5.39 5.28 0.00 0.00 1.01 0.38 -2.63 116.67 115.33 2va3 s ASP 156 Ca -0.05 0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.41 2va3 s ASP 156 Cb 0.20 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.60 2va3 s ASP 156 CO 0.72 -2.40 0.00 0.23 0.21 0.00 0.00 175.17 173.93 2va3 n MET 157 N 9.16 0.00 0.00 8.23 2.81 -1.25 -4.86 117.12 131.21 2va3 n MET 157 Ca 0.22 0.43 0.00 0.00 -1.81 0.00 0.00 57.70 56.54 2va3 n MET 157 Cb 0.51 -1.29 0.00 0.00 -0.71 0.00 0.00 33.22 31.73 2va3 n MET 157 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2va3 n ALA 158 N -0.70 0.00 -2.66 3.04 0.00 -1.08 -4.95 120.51 114.16 2va3 n ALA 158 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 2va3 n ALA 158 Cb 0.27 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.66 2va3 n ALA 158 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2va3 s LYS 159 N 0.00 4.27 0.80 0.00 2.20 -1.20 0.16 119.74 125.98 2va3 s LYS 159 Ca 0.00 0.47 -0.09 0.00 -0.36 0.00 0.00 55.97 55.99 2va3 s LYS 159 Cb 0.00 -3.39 0.12 0.00 -1.51 0.00 0.00 37.83 33.04 2va3 s LYS 159 CO 0.00 0.27 1.13 -1.25 -0.36 0.00 0.00 175.35 175.13 2va3 s PRO 160 N 0.26 1.62 -0.81 4.03 0.04 -1.26 -4.93 135.00 133.95 2va3 s PRO 160 Ca 0.26 -0.39 -0.05 0.00 0.04 0.00 0.00 61.00 60.86 2va3 s PRO 160 Cb -0.16 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.32 2va3 s PRO 160 CO 0.11 -1.67 0.10 -1.71 0.04 0.00 0.00 177.00 173.87 2va3 n ASN 161 N -3.21 -0.17 -2.46 6.66 5.15 -1.26 -4.90 115.26 115.07 2va3 n ASN 161 Ca 0.11 -0.72 -0.10 0.00 -0.60 0.00 0.00 54.58 53.27 2va3 n ASN 161 Cb 0.60 -0.88 -0.03 0.00 -0.53 0.00 0.00 39.78 38.94 2va3 n ASN 161 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2va3 n GLY 162 N -1.81 3.75 3.45 8.20 0.00 0.43 -4.93 105.19 114.28 2va3 n GLY 162 Ca -0.15 -2.00 -0.14 0.00 0.00 0.00 0.00 46.02 43.73 2va3 n GLY 162 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2va3 s ILE 163 N -2.17 0.00 -0.23 -0.61 2.07 -1.25 -1.09 121.20 117.94 2va3 s ILE 163 Ca 0.08 -0.03 -0.19 0.00 -1.41 0.00 0.00 60.65 59.11 2va3 s ILE 163 Cb 0.00 -0.79 0.06 0.00 0.13 0.00 0.00 42.46 41.87 2va3 s ILE 163 CO 0.06 -0.02 0.59 -0.75 -1.91 0.00 0.00 174.94 172.92 2va3 s LYS 164 N 0.05 0.67 -0.07 3.50 2.20 -0.69 -4.93 119.74 120.47 2va3 s LYS 164 Ca -0.02 0.90 -0.01 0.00 -0.36 0.00 0.00 55.97 56.48 2va3 s LYS 164 Cb -0.04 0.27 -0.03 0.00 -1.51 0.00 0.00 37.83 36.52 2va3 s LYS 164 CO 0.02 -0.10 -0.01 0.08 -0.36 0.00 0.00 175.35 174.98 2va3 s VAL 165 N 0.67 4.21 -0.39 4.02 1.01 -1.26 -2.40 120.40 126.26 2va3 s VAL 165 Ca -0.03 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.64 2va3 s VAL 165 Cb -0.05 -2.78 0.11 0.00 0.00 0.00 0.00 36.38 33.67 2va3 s VAL 165 CO -0.04 0.57 0.13 -0.63 0.00 0.00 0.00 175.10 175.13 2va3 s ILE 166 N -0.90 2.65 0.49 2.22 1.01 -0.27 -4.97 121.20 121.43 2va3 s ILE 166 Ca 0.14 -2.41 -0.21 0.00 0.00 0.00 0.00 60.65 58.18 2va3 s ILE 166 Cb -0.11 -2.89 -0.08 0.00 0.01 0.00 0.00 42.46 39.39 2va3 s ILE 166 CO 0.03 -0.66 1.08 1.51 0.00 0.00 0.00 174.94 176.91 2va3 s ASP 167 N 1.01 6.16 0.26 3.58 -4.77 -1.26 -4.43 116.67 117.22 2va3 s ASP 167 Ca 0.11 2.06 0.07 0.00 -3.30 0.00 0.00 52.55 51.49 2va3 s ASP 167 Cb -0.21 -2.57 0.76 0.00 -1.09 0.00 0.00 42.92 39.81 2va3 s ASP 167 CO -0.06 -0.91 1.24 0.47 0.70 0.00 0.00 175.17 176.61 2va3 n ASP 168 N -0.94 0.03 0.24 2.11 9.92 -1.26 0.21 116.55 126.86 2va3 n ASP 168 Ca 0.09 1.33 0.12 0.00 -0.53 0.00 0.00 54.79 55.80 2va3 n ASP 168 Cb 0.51 -0.54 0.54 0.00 -0.64 0.00 0.00 41.12 40.99 2va3 n ASP 168 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 2va3 h GLU 169 N 0.00 0.00 -0.02 -1.24 4.11 -1.98 -1.78 114.58 113.67 2va3 h GLU 169 Ca 0.54 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.80 2va3 h GLU 169 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2va3 h GLU 169 CO -0.70 0.16 -0.78 1.49 0.07 0.00 0.00 179.01 179.25 2va3 h GLU 170 N 0.00 0.20 -0.01 1.06 4.57 0.21 -3.18 114.58 117.43 2va3 h GLU 170 Ca -0.00 -0.19 0.02 0.00 -1.18 0.00 0.00 59.36 58.01 2va3 h GLU 170 Cb 0.65 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.27 2va3 h GLU 170 CO 0.02 0.88 -0.08 0.28 -1.18 0.00 0.00 179.01 178.93 2va3 h VAL 171 N 0.12 0.78 0.00 0.32 2.07 -0.59 -0.52 116.25 118.43 2va3 h VAL 171 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2va3 h VAL 171 Cb 1.37 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2va3 h VAL 171 CO 0.12 0.00 0.00 0.29 0.02 0.00 0.00 177.57 178.00 2va3 n LYS 172 N -5.21 0.66 -0.08 1.57 5.02 -1.05 -1.43 118.16 117.63 2va3 n LYS 172 Ca -0.06 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.11 2va3 n LYS 172 Cb 0.13 -1.06 -0.07 0.00 -0.02 0.00 0.00 35.03 34.01 2va3 n LYS 172 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2va3 n ARG 173 N -0.37 0.39 0.03 1.97 0.63 -0.28 -4.51 116.66 114.52 2va3 n ARG 173 Ca 0.00 0.11 -0.10 0.00 -0.92 0.00 0.00 57.85 56.94 2va3 n ARG 173 Cb 0.03 -1.27 0.04 0.00 0.45 0.00 0.00 32.46 31.71 2va3 n ARG 173 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2va3 h LEU 174 N -0.15 0.54 -0.12 6.15 3.38 -0.81 0.16 115.31 124.47 2va3 h LEU 174 Ca -0.38 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.26 2va3 h LEU 174 Cb 1.51 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2va3 h LEU 174 CO -0.11 1.06 0.12 -0.38 0.09 0.00 0.00 178.44 179.22 2va3 n ILE 175 N -3.89 1.45 0.00 1.22 5.41 -0.51 -1.19 119.36 121.85 2va3 n ILE 175 Ca -0.04 0.53 0.00 0.00 1.00 0.00 0.00 62.75 64.24 2va3 n ILE 175 Cb 0.67 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 38.07 2va3 n ILE 175 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2va3 n ARG 176 N -1.46 2.08 -0.08 0.38 0.63 -1.00 -1.79 116.66 115.43 2va3 n ARG 176 Ca -0.00 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 2va3 n ARG 176 Cb 0.13 -0.85 -0.03 0.00 0.45 0.00 0.00 32.46 32.15 2va3 n ARG 176 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2va3 n GLU 177 N -1.22 0.46 -1.44 -0.14 1.02 0.54 -4.84 120.64 115.03 2va3 n GLU 177 Ca 0.00 0.18 -0.47 0.00 -0.02 0.00 0.00 57.16 56.85 2va3 n GLU 177 Cb 0.11 -1.30 -0.03 0.00 -0.02 0.00 0.00 31.44 30.20 2va3 n GLU 177 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2va3 n LEU 178 N -4.30 -0.66 -4.73 -4.62 7.94 -0.36 -4.87 117.00 105.40 2va3 n LEU 178 Ca -0.15 1.14 -0.41 0.00 -1.11 0.00 0.00 56.01 55.47 2va3 n LEU 178 Cb 0.48 -1.01 -0.04 0.00 0.53 0.00 0.00 43.42 43.38 2va3 n LEU 178 CO 0.17 -2.68 0.79 -0.62 -1.11 0.00 0.00 177.39 173.94 2va3 s ASP 179 N -0.91 7.26 0.62 1.96 2.15 -1.26 -4.35 116.67 122.15 2va3 s ASP 179 Ca 0.63 2.01 0.30 0.00 0.43 0.00 0.00 52.55 55.92 2va3 s ASP 179 Cb -0.89 -2.59 1.65 0.00 -0.30 0.00 0.00 42.92 40.78 2va3 s ASP 179 CO 0.57 -0.26 1.99 -0.29 -0.17 0.00 0.00 175.17 177.01 2va3 h ILE 180 N 4.01 0.22 0.00 4.11 6.09 -1.87 0.13 117.51 130.21 2va3 h ILE 180 Ca -0.43 0.00 -0.05 0.00 -1.37 0.00 0.00 64.86 63.00 2va3 h ILE 180 Cb 1.21 0.72 -0.01 0.00 0.47 0.00 0.00 36.82 39.21 2va3 h ILE 180 CO 0.74 0.00 -0.25 0.00 -3.07 0.00 0.00 178.15 175.57 2va3 h ALA 181 N 1.52 0.88 -0.58 0.18 0.00 -1.89 -3.15 119.26 116.22 2va3 h ALA 181 Ca 0.08 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 2va3 h ALA 181 Cb 0.73 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.38 2va3 h ALA 181 CO -0.00 0.31 0.21 -0.25 0.00 0.00 0.00 179.25 179.53 2va3 n ASP 182 N -3.22 4.19 -4.49 0.00 9.92 0.46 -4.83 116.55 118.59 2va3 n ASP 182 Ca 0.02 -2.93 -0.36 0.00 -0.53 0.00 0.00 54.79 50.99 2va3 n ASP 182 Cb 0.57 -0.69 -0.12 0.00 -0.64 0.00 0.00 41.12 40.24 2va3 n ASP 182 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2va3 s VAL 183 N -2.43 4.37 -0.35 2.53 1.01 -1.19 -4.96 120.40 119.37 2va3 s VAL 183 Ca 0.43 -0.16 -0.44 0.00 0.00 0.00 0.00 61.98 61.80 2va3 s VAL 183 Cb 0.34 -3.01 -0.19 0.00 0.00 0.00 0.00 36.38 33.51 2va3 s VAL 183 CO 0.11 0.38 1.51 -2.65 0.00 0.00 0.00 175.10 174.44 2va3 n PRO 184 N 4.49 0.19 0.00 2.72 -0.02 -1.26 -1.79 135.00 139.33 2va3 n PRO 184 Ca -0.16 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 2va3 n PRO 184 Cb 0.52 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 2va3 n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2va3 n GLY 185 N 3.49 0.64 3.08 -1.23 0.00 -1.26 -5.04 105.19 104.87 2va3 n GLY 185 Ca 0.28 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.94 2va3 n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2va3 s ILE 186 N -2.00 3.51 0.85 -0.61 -1.09 -0.74 -5.00 121.20 116.11 2va3 s ILE 186 Ca 0.00 -2.90 -0.12 0.00 -2.23 0.00 0.00 60.65 55.40 2va3 s ILE 186 Cb 0.00 -3.32 0.12 0.00 -1.58 0.00 0.00 42.46 37.68 2va3 s ILE 186 CO 0.00 -0.84 1.20 -0.83 -1.23 0.00 0.00 174.94 173.24 2va3 s GLY 187 N 0.70 1.67 0.24 6.18 0.00 -1.26 -4.59 107.32 110.26 2va3 s GLY 187 Ca 0.16 -0.92 -0.06 0.00 0.00 0.00 0.00 44.72 43.90 2va3 s GLY 187 CO -0.03 -0.33 1.69 3.43 0.00 0.00 0.00 173.10 177.86 2va3 h ASN 188 N -1.19 0.04 0.01 1.64 2.35 -1.97 0.27 115.58 116.73 2va3 h ASN 188 Ca -0.45 0.14 0.03 0.00 -0.55 0.00 0.00 56.30 55.47 2va3 h ASN 188 Cb 1.29 0.18 -0.05 0.00 0.05 0.00 0.00 38.32 39.79 2va3 h ASN 188 CO 0.55 -0.01 -0.35 0.40 -1.65 0.00 0.00 177.43 176.37 2va3 h ILE 189 N 0.29 0.26 0.07 2.81 2.04 -1.99 0.42 117.51 121.41 2va3 h ILE 189 Ca 0.39 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.25 2va3 h ILE 189 Cb 0.65 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2va3 h ILE 189 CO -0.48 0.00 -0.03 0.74 0.00 0.00 0.00 178.15 178.38 2va3 h THR 190 N -0.51 1.15 -0.90 -0.27 2.02 -1.79 -1.69 112.91 110.92 2va3 h THR 190 Ca 0.06 -0.80 0.19 0.00 0.77 0.00 0.00 66.41 66.63 2va3 h THR 190 Cb 0.59 1.67 -0.07 0.00 -1.74 0.00 0.00 68.15 68.60 2va3 h THR 190 CO -0.27 0.20 0.59 0.00 0.37 0.00 0.00 175.52 176.40 2va3 h ALA 191 N 0.43 2.13 0.12 6.16 0.00 -0.31 -1.81 119.26 125.99 2va3 h ALA 191 Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2va3 h ALA 191 Cb 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2va3 h ALA 191 CO 0.02 -0.42 -0.06 1.49 0.00 0.00 0.00 179.25 180.28 2va3 h GLU 192 N 0.45 -0.16 0.00 0.00 4.22 -0.04 -2.88 114.58 116.18 2va3 h GLU 192 Ca 0.47 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.92 2va3 h GLU 192 Cb 1.10 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2va3 h GLU 192 CO -0.19 0.31 0.25 0.87 -2.18 0.00 0.00 179.01 178.07 2va3 h LYS 193 N -0.75 0.00 0.14 1.92 1.57 -0.50 0.17 116.57 119.13 2va3 h LYS 193 Ca -0.02 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.45 2va3 h LYS 193 Cb 0.54 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 2va3 h LYS 193 CO 0.03 0.00 -1.60 -0.07 -0.57 0.00 0.00 179.45 177.24 2va3 h LEU 194 N 0.00 0.47 -1.72 2.94 3.38 -1.25 -3.29 115.31 115.83 2va3 h LEU 194 Ca 0.00 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.08 2va3 h LEU 194 Cb 0.49 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2va3 h LEU 194 CO 0.00 1.71 0.00 0.11 0.09 0.00 0.00 178.44 180.35 2va3 h LYS 195 N -0.13 0.00 0.00 1.13 1.57 -0.77 0.33 116.57 118.71 2va3 h LYS 195 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2va3 h LYS 195 Cb 1.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.22 2va3 h LYS 195 CO 0.10 0.00 -0.05 1.17 -0.57 0.00 0.00 179.45 180.10 2va3 n LYS 196 N -2.80 0.02 0.00 3.15 4.81 -0.87 -3.21 118.16 119.25 2va3 n LYS 196 Ca -0.00 0.01 0.05 0.00 -0.87 0.00 0.00 58.31 57.50 2va3 n LYS 196 Cb 0.19 -1.52 -0.01 0.00 0.02 0.00 0.00 35.03 33.71 2va3 n LYS 196 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2va3 n LEU 197 N -1.55 1.21 0.00 3.14 4.77 0.07 -4.99 117.00 119.65 2va3 n LEU 197 Ca 0.07 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 2va3 n LEU 197 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2va3 n LEU 197 CO 0.28 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2va3 n GLY 198 N 0.96 1.00 3.57 -0.72 0.00 -0.98 -5.00 105.19 104.02 2va3 n GLY 198 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2va3 n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2va3 s ILE 199 N -2.25 3.91 -1.42 -0.61 1.01 -1.04 -4.71 121.20 116.09 2va3 s ILE 199 Ca 0.00 -0.99 0.24 0.00 0.00 0.00 0.00 60.65 59.90 2va3 s ILE 199 Cb 0.00 -4.98 0.03 0.00 0.01 0.00 0.00 42.46 37.52 2va3 s ILE 199 CO 0.00 -1.84 1.29 -3.20 0.00 0.00 0.00 174.94 171.19 2va3 n ASN 200 N 9.42 1.05 -3.57 3.58 5.15 -1.26 -4.12 115.26 125.51 2va3 n ASN 200 Ca 0.38 -0.84 -0.17 0.00 -0.60 0.00 0.00 54.58 53.34 2va3 n ASN 200 Cb 0.49 0.42 -0.09 0.00 -0.53 0.00 0.00 39.78 40.08 2va3 n ASN 200 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2va3 s LYS 201 N -2.75 1.61 0.21 1.20 -0.14 -1.26 -3.44 119.74 115.17 2va3 s LYS 201 Ca 0.16 -1.92 0.06 0.00 -1.36 0.00 0.00 55.97 52.91 2va3 s LYS 201 Cb 0.18 0.31 0.15 0.00 -1.68 0.00 0.00 37.83 36.79 2va3 s LYS 201 CO 0.66 -0.58 1.49 -0.07 -0.76 0.00 0.00 175.35 176.08 2va3 h LEU 202 N 2.26 0.14 -0.87 3.17 3.38 -1.76 -3.15 115.31 118.47 2va3 h LEU 202 Ca -0.28 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2va3 h LEU 202 Cb 1.24 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2va3 h LEU 202 CO 0.41 0.83 0.00 1.62 0.09 0.00 0.00 178.44 181.38 2va3 h VAL 203 N 0.07 0.00 0.00 1.22 3.04 -1.69 -2.81 116.25 116.08 2va3 h VAL 203 Ca -0.02 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 2va3 h VAL 203 Cb 1.31 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 31.79 2va3 h VAL 203 CO 0.11 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.14 2va3 n ASP 204 N -2.54 0.00 0.09 3.17 9.92 -1.19 -3.16 116.55 122.84 2va3 n ASP 204 Ca 0.02 -0.17 -0.09 0.00 -0.53 0.00 0.00 54.79 54.03 2va3 n ASP 204 Cb 0.28 -0.27 -0.02 0.00 -0.64 0.00 0.00 41.12 40.47 2va3 n ASP 204 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 2va3 h THR 205 N 0.00 1.51 0.00 -3.53 1.35 -1.68 -3.03 112.91 107.52 2va3 h THR 205 Ca 0.00 -2.68 0.00 0.00 -0.55 0.00 0.00 66.41 63.18 2va3 h THR 205 Cb 0.25 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 2va3 h THR 205 CO 0.00 0.78 0.00 0.18 -0.25 0.00 0.00 175.52 176.23 2va3 n LEU 206 N -3.64 0.00 0.02 3.87 4.32 -1.19 -2.89 117.00 117.50 2va3 n LEU 206 Ca -0.03 0.39 0.12 0.00 -0.02 0.00 0.00 56.01 56.46 2va3 n LEU 206 Cb 0.82 -0.39 0.15 0.00 -1.62 0.00 0.00 43.42 42.37 2va3 n LEU 206 CO 0.48 -0.07 0.27 -1.54 -1.22 0.00 0.00 177.39 175.31 2va3 n SER 207 N -1.39 0.61 -4.57 -1.43 3.41 -1.14 -4.91 113.62 104.20 2va3 n SER 207 Ca 0.09 -0.17 -0.30 0.00 -0.26 0.00 0.00 58.87 58.23 2va3 n SER 207 Cb 0.24 0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 64.51 2va3 n SER 207 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2va3 s ILE 208 N -3.10 3.36 0.45 -1.33 1.01 -1.14 -5.10 121.20 115.35 2va3 s ILE 208 Ca 0.07 -1.17 -0.25 0.00 0.00 0.00 0.00 60.65 59.30 2va3 s ILE 208 Cb 0.15 -2.54 -0.08 0.00 0.01 0.00 0.00 42.46 40.01 2va3 s ILE 208 CO 0.74 0.18 1.32 -1.61 0.00 0.00 0.00 174.94 175.58 2va3 s GLU 209 N -2.00 3.73 0.47 2.79 2.02 -1.26 -4.93 118.70 119.52 2va3 s GLU 209 Ca 0.20 2.18 0.15 0.00 0.02 0.00 0.00 54.97 57.52 2va3 s GLU 209 Cb -0.11 -2.60 1.08 0.00 0.10 0.00 0.00 34.13 32.60 2va3 s GLU 209 CO 0.12 -0.70 2.03 0.35 0.02 0.00 0.00 175.26 177.08 2va3 h PHE 210 N 2.31 0.00 0.00 1.61 3.57 -1.99 -2.63 116.94 119.80 2va3 h PHE 210 Ca -0.50 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.00 2va3 h PHE 210 Cb 1.26 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.00 2va3 h PHE 210 CO 0.51 0.14 0.00 -0.44 -2.23 0.00 0.00 178.31 176.29 2va3 h ASP 211 N 0.00 0.00 0.37 0.41 3.45 -1.99 -1.21 116.42 117.45 2va3 h ASP 211 Ca -0.00 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.32 2va3 h ASP 211 Cb 0.25 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.99 2va3 h ASP 211 CO 0.02 0.00 -1.76 0.29 -1.57 0.00 0.00 179.24 176.22 2va3 n LYS 212 N -2.45 0.65 -0.01 3.56 4.76 -1.00 -2.99 118.16 120.68 2va3 n LYS 212 Ca 0.01 0.03 -0.16 0.00 -2.87 0.00 0.00 58.31 55.32 2va3 n LYS 212 Cb 0.21 -1.66 -0.12 0.00 -1.84 0.00 0.00 35.03 31.62 2va3 n LYS 212 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2va3 h LEU 213 N 0.00 0.28 -1.91 -0.35 3.38 -1.50 -2.51 115.31 112.70 2va3 h LEU 213 Ca -0.18 -0.85 -0.01 0.00 0.09 0.00 0.00 57.88 56.93 2va3 h LEU 213 Cb 1.49 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 2va3 h LEU 213 CO 0.02 1.10 -0.05 0.11 0.09 0.00 0.00 178.44 179.71 2va3 h LYS 214 N -0.50 0.00 0.00 1.13 1.57 -1.40 -0.64 116.57 116.74 2va3 h LYS 214 Ca -0.06 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 2va3 h LYS 214 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 2va3 h LYS 214 CO 0.07 0.05 -0.27 0.78 -0.57 0.00 0.00 179.45 179.51 2va3 h GLY 215 N 0.16 0.00 0.00 3.86 0.00 -1.52 -2.85 103.07 102.71 2va3 h GLY 215 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2va3 h GLY 215 CO 0.01 0.00 -0.10 1.03 0.00 0.00 0.00 176.54 177.48 2va3 n MET 216 N -3.18 0.06 0.00 4.80 2.81 -0.73 -4.70 117.12 116.18 2va3 n MET 216 Ca 0.03 0.10 0.13 0.00 -1.81 0.00 0.00 57.70 56.15 2va3 n MET 216 Cb 0.63 -0.69 0.43 0.00 -0.71 0.00 0.00 33.22 32.88 2va3 n MET 216 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 2va3 n ILE 217 N -2.67 0.00 0.00 2.02 -5.35 -0.32 -5.05 119.36 107.98 2va3 n ILE 217 Ca -0.01 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 2va3 n ILE 217 Cb 0.05 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.26 2va3 n ILE 217 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2va3 n GLY 218 N 1.32 0.39 0.01 3.28 0.00 -1.03 -4.32 105.19 104.84 2va3 n GLY 218 Ca 0.13 -1.75 -0.00 0.00 0.00 0.00 0.00 46.02 44.39 2va3 n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2va3 h GLU 219 N 0.00 -0.03 -0.88 1.61 4.81 -1.84 -1.19 114.58 117.07 2va3 h GLU 219 Ca 0.00 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.47 2va3 h GLU 219 Cb 0.00 0.01 -0.15 0.00 0.63 0.00 0.00 28.75 29.24 2va3 h GLU 219 CO 0.00 -0.02 0.16 0.00 -0.73 0.00 0.00 179.01 178.42 2va3 h ALA 220 N -1.90 1.19 -0.10 2.92 0.00 -1.96 0.80 119.26 120.21 2va3 h ALA 220 Ca -0.00 0.25 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 2va3 h ALA 220 Cb 0.02 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2va3 h ALA 220 CO 0.00 -0.49 -0.33 -0.22 0.00 0.00 0.00 179.25 178.21 2va3 h LYS 221 N 0.15 0.19 -0.01 0.00 1.63 -1.74 -1.73 116.57 115.04 2va3 h LYS 221 Ca 0.54 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 60.23 2va3 h LYS 221 Cb 1.09 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 2va3 h LYS 221 CO -0.71 0.50 -0.15 0.00 -3.45 0.00 0.00 179.45 175.64 2va3 h ALA 222 N 1.50 0.04 -0.26 5.00 0.00 0.17 -2.73 119.26 122.97 2va3 h ALA 222 Ca 0.02 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 54.56 2va3 h ALA 222 Cb 0.67 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2va3 h ALA 222 CO 0.05 -0.00 0.05 0.87 0.00 0.00 0.00 179.25 180.22 2va3 h LYS 223 N -0.52 0.15 -0.31 0.00 1.57 -0.53 -1.20 116.57 115.72 2va3 h LYS 223 Ca -0.01 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 2va3 h LYS 223 Cb 0.86 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.05 2va3 h LYS 223 CO 0.03 0.10 -0.28 -0.92 -0.57 0.00 0.00 179.45 177.81 2va3 h TYR 224 N 0.15 -0.75 -0.25 -1.35 3.20 -1.38 0.13 116.97 116.73 2va3 h TYR 224 Ca 0.12 0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.05 2va3 h TYR 224 Cb 0.12 0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 2va3 h TYR 224 CO -0.16 -0.35 0.12 -0.07 -1.64 0.00 0.00 178.16 176.06 2va3 h LEU 225 N -0.25 0.17 0.52 2.82 3.38 -1.19 -2.18 115.31 118.58 2va3 h LEU 225 Ca 0.16 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2va3 h LEU 225 Cb 0.50 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2va3 h LEU 225 CO -0.46 0.13 -0.30 0.40 0.09 0.00 0.00 178.44 178.30 2va3 h ILE 226 N 0.25 0.37 -0.58 1.22 2.04 -0.49 -0.98 117.51 119.35 2va3 h ILE 226 Ca 0.10 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.08 2va3 h ILE 226 Cb 0.04 0.37 -0.10 0.00 -0.74 0.00 0.00 36.82 36.39 2va3 h ILE 226 CO -0.08 0.00 -0.03 0.77 0.00 0.00 0.00 178.15 178.81 2va3 h SER 227 N -0.78 -0.32 -0.43 1.72 4.64 -0.71 0.18 113.55 117.85 2va3 h SER 227 Ca -0.06 0.15 0.04 0.00 -0.47 0.00 0.00 61.79 61.45 2va3 h SER 227 Cb 0.63 0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.95 2va3 h SER 227 CO 0.07 -0.12 0.20 -0.07 -0.87 0.00 0.00 176.83 176.04 2va3 h LEU 228 N 0.09 0.27 -1.87 5.97 3.38 -1.23 -0.09 115.31 121.84 2va3 h LEU 228 Ca 0.30 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 2va3 h LEU 228 Cb 0.47 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2va3 h LEU 228 CO -0.52 0.19 -0.09 0.00 0.09 0.00 0.00 178.44 178.12 2va3 h ALA 229 N 1.25 1.14 0.00 1.53 0.00 0.35 -2.43 119.26 121.09 2va3 h ALA 229 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2va3 h ALA 229 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2va3 h ALA 229 CO -0.15 0.11 -0.84 0.00 0.00 0.00 0.00 179.25 178.36 2va3 h ARG 230 N 0.00 0.00 0.00 0.00 3.08 0.51 -3.47 114.38 114.50 2va3 h ARG 230 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2va3 h ARG 230 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2va3 h ARG 230 CO 0.01 0.00 0.00 -3.47 -1.07 0.00 0.00 179.97 175.44 2va3 n ASP 231 N -2.67 -1.42 -0.55 7.04 2.03 -0.17 -4.92 116.55 115.90 2va3 n ASP 231 Ca 0.01 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.45 2va3 n ASP 231 Cb 0.54 -0.24 0.30 0.00 -0.72 0.00 0.00 41.12 41.00 2va3 n ASP 231 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2va3 n GLU 232 N -2.47 1.56 -1.85 -0.67 1.02 -0.55 -4.86 120.64 112.83 2va3 n GLU 232 Ca 0.00 -1.10 -0.32 0.00 -0.02 0.00 0.00 57.16 55.72 2va3 n GLU 232 Cb 0.00 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 29.90 2va3 n GLU 232 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2va3 s TYR 233 N -2.19 1.45 -0.03 -0.32 5.04 -1.06 -4.93 117.35 115.31 2va3 s TYR 233 Ca 0.29 1.14 -0.01 0.00 -2.44 0.00 0.00 57.07 56.05 2va3 s TYR 233 Cb 0.20 -3.85 0.02 0.00 0.35 0.00 0.00 41.96 38.68 2va3 s TYR 233 CO 0.41 -2.16 0.06 1.21 -1.34 0.00 0.00 175.55 173.73 2va3 s ASN 234 N 9.60 -0.02 0.12 4.32 2.47 -1.26 -4.87 114.94 125.31 2va3 s ASN 234 Ca 0.79 0.12 0.04 0.00 0.42 0.00 0.00 52.86 54.24 2va3 s ASN 234 Cb -0.13 0.05 -0.04 0.00 -1.45 0.00 0.00 41.25 39.69 2va3 s ASN 234 CO 0.16 -0.09 0.13 -1.61 -3.72 0.00 0.00 177.10 171.97 2va3 s GLU 235 N 0.73 2.97 0.60 0.43 0.41 -1.26 -5.10 118.70 117.48 2va3 s GLU 235 Ca -0.06 -0.74 -0.08 0.00 -0.41 0.00 0.00 54.97 53.68 2va3 s GLU 235 Cb -0.08 -2.73 -0.01 0.00 -1.78 0.00 0.00 34.13 29.53 2va3 s GLU 235 CO -0.03 0.53 0.96 -1.25 -0.49 0.00 0.00 175.26 174.98 2va3 s PRO 236 N -2.76 3.18 -0.71 0.39 0.04 -1.26 -4.75 135.00 129.13 2va3 s PRO 236 Ca 0.31 0.32 -0.23 0.00 0.04 0.00 0.00 61.00 61.44 2va3 s PRO 236 Cb -0.11 -2.19 0.07 0.00 0.04 0.00 0.00 34.50 32.31 2va3 s PRO 236 CO 0.23 -0.66 1.04 0.42 0.04 0.00 0.00 177.00 178.08 2va3 s ILE 237 N -3.08 4.25 -0.09 0.56 1.09 -1.26 -5.01 121.20 117.66 2va3 s ILE 237 Ca 0.54 -0.36 0.00 0.00 -1.10 0.00 0.00 60.65 59.73 2va3 s ILE 237 Cb -0.11 -4.74 -0.03 0.00 -1.06 0.00 0.00 42.46 36.52 2va3 s ILE 237 CO 0.49 -1.54 -0.07 -0.13 -0.10 0.00 0.00 174.94 173.58 2va3 s ARG 238 N 4.24 2.97 0.33 2.79 1.81 -1.26 -4.67 118.95 125.17 2va3 s ARG 238 Ca 0.26 -0.56 -0.29 0.00 -1.72 0.00 0.00 55.73 53.42 2va3 s ARG 238 Cb -0.14 -2.65 -0.11 0.00 -0.45 0.00 0.00 34.95 31.60 2va3 s ARG 238 CO 0.09 0.54 1.54 0.99 -0.68 0.00 0.00 175.30 177.77 2va3 s THR 239 N -0.47 2.07 0.12 0.02 2.01 -1.26 -4.68 115.64 113.45 2va3 s THR 239 Ca 0.07 0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.17 2va3 s THR 239 Cb -0.12 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 2va3 s THR 239 CO 0.02 0.01 0.15 -0.13 -0.69 0.00 0.00 174.62 173.98 2va3 s ARG 240 N -1.30 3.02 0.03 4.92 1.81 -1.26 -5.06 118.95 121.12 2va3 s ARG 240 Ca 0.58 -0.73 0.06 0.00 -1.72 0.00 0.00 55.73 53.92 2va3 s ARG 240 Cb -0.47 -2.76 -0.03 0.00 -0.45 0.00 0.00 34.95 31.24 2va3 s ARG 240 CO 0.55 0.53 -0.14 0.08 -0.68 0.00 0.00 175.30 175.64 2va3 s VAL 241 N -1.60 3.10 -0.01 3.52 1.01 -1.26 -4.99 120.40 120.16 2va3 s VAL 241 Ca 0.31 -1.06 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 2va3 s VAL 241 Cb -0.11 -2.33 -0.06 0.00 0.00 0.00 0.00 36.38 33.88 2va3 s VAL 241 CO 0.24 0.34 1.58 -0.13 0.00 0.00 0.00 175.10 177.13 2va3 s ARG 242 N -1.48 4.21 0.00 2.72 0.52 -1.26 -4.88 118.95 118.79 2va3 s ARG 242 Ca 0.16 2.16 0.15 0.00 -0.52 0.00 0.00 55.73 57.67 2va3 s ARG 242 Cb -0.11 -3.77 0.10 0.00 0.52 0.00 0.00 34.95 31.69 2va3 s ARG 242 CO 0.07 -0.75 0.95 1.63 0.02 0.00 0.00 175.30 177.22 2va3 n LYS 243 N 6.27 1.18 -3.63 3.54 5.02 -1.26 -4.99 118.16 124.28 2va3 n LYS 243 Ca 0.16 -1.32 -0.07 0.00 -2.02 0.00 0.00 58.31 55.06 2va3 n LYS 243 Cb 0.42 -1.28 -0.07 0.00 -0.02 0.00 0.00 35.03 34.09 2va3 n LYS 243 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2va3 s SER 244 N -1.31 -0.29 0.09 4.39 1.04 -1.26 -4.11 113.70 112.24 2va3 s SER 244 Ca 0.17 0.52 0.07 0.00 0.48 0.00 0.00 55.95 57.18 2va3 s SER 244 Cb 0.12 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.72 2va3 s SER 244 CO 0.21 -0.13 -0.17 -0.63 0.98 0.00 0.00 173.24 173.49 2va3 s ILE 245 N -0.11 1.42 0.02 -1.02 -1.09 -0.06 -4.98 121.20 115.37 2va3 s ILE 245 Ca 0.04 -1.47 -0.29 0.00 -2.23 0.00 0.00 60.65 56.70 2va3 s ILE 245 Cb -0.04 -1.35 0.11 0.00 -1.58 0.00 0.00 42.46 39.59 2va3 s ILE 245 CO -0.08 -0.17 1.22 -0.83 -1.23 0.00 0.00 174.94 173.85 2va3 s GLY 246 N -1.91 -0.34 -0.18 6.18 0.00 -1.26 -0.21 107.32 109.60 2va3 s GLY 246 Ca 0.03 0.51 -0.08 0.00 0.00 0.00 0.00 44.72 45.18 2va3 s GLY 246 CO 0.03 0.58 0.40 -1.60 0.00 0.00 0.00 173.10 172.51 2va3 s ARG 247 N -2.54 0.35 -0.15 2.90 6.06 -1.09 -4.94 118.95 119.54 2va3 s ARG 247 Ca 0.15 0.87 0.01 0.00 -2.50 0.00 0.00 55.73 54.27 2va3 s ARG 247 Cb 0.03 0.10 0.01 0.00 0.06 0.00 0.00 34.95 35.15 2va3 s ARG 247 CO -0.02 -0.20 -0.19 -1.50 -2.50 0.00 0.00 175.30 170.89 2va3 s ILE 248 N 1.90 2.28 0.27 4.11 2.07 -1.26 -2.76 121.20 127.80 2va3 s ILE 248 Ca -0.06 -0.90 0.06 0.00 -1.41 0.00 0.00 60.65 58.35 2va3 s ILE 248 Cb -0.10 -1.94 -0.03 0.00 0.13 0.00 0.00 42.46 40.52 2va3 s ILE 248 CO -0.12 0.53 0.30 0.68 -1.91 0.00 0.00 174.94 174.42 2va3 s VAL 249 N 0.93 4.58 -0.24 4.00 -7.23 0.03 -4.91 120.40 117.56 2va3 s VAL 249 Ca -0.04 -1.21 -0.07 0.00 -1.81 0.00 0.00 61.98 58.85 2va3 s VAL 249 Cb -0.15 -3.54 -0.03 0.00 0.56 0.00 0.00 36.38 33.22 2va3 s VAL 249 CO -0.04 -0.30 0.07 -0.89 -0.31 0.00 0.00 175.10 173.64 2va3 s THR 250 N -2.11 4.41 0.47 5.32 2.01 -1.26 -1.70 115.64 122.78 2va3 s THR 250 Ca 0.36 -0.14 -0.22 0.00 0.31 0.00 0.00 61.69 62.00 2va3 s THR 250 Cb -0.08 -3.06 -0.08 0.00 0.01 0.00 0.00 72.50 69.29 2va3 s THR 250 CO 0.27 0.35 1.08 -0.04 -0.69 0.00 0.00 174.62 175.59 2va3 s MET 251 N 1.49 3.82 0.23 4.92 -1.94 -1.13 -4.93 119.30 121.76 2va3 s MET 251 Ca 0.06 1.51 -0.07 0.00 -1.71 0.00 0.00 55.69 55.49 2va3 s MET 251 Cb -0.15 -2.26 0.34 0.00 2.01 0.00 0.00 34.83 34.78 2va3 s MET 251 CO 0.04 -0.44 1.78 0.87 -0.01 0.00 0.00 175.02 177.26 2va3 h LYS 252 N 1.84 0.61 -4.40 2.03 1.57 -1.91 -3.44 116.57 112.88 2va3 h LYS 252 Ca -0.49 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.06 2va3 h LYS 252 Cb 1.23 -0.14 -0.17 0.00 0.08 0.00 0.00 32.23 33.24 2va3 h LYS 252 CO 0.60 0.40 -0.70 1.03 -0.57 0.00 0.00 179.45 180.21 2va3 s ARG 253 N -6.06 0.64 0.69 3.15 0.52 -1.26 -4.57 118.95 112.06 2va3 s ARG 253 Ca -0.13 -1.11 -0.17 0.00 -0.52 0.00 0.00 55.73 53.81 2va3 s ARG 253 Cb 0.18 -0.03 0.01 0.00 0.52 0.00 0.00 34.95 35.64 2va3 s ARG 253 CO 0.76 -0.04 1.26 -0.80 0.02 0.00 0.00 175.30 176.50 2va3 s ASN 254 N -2.56 4.38 0.30 0.23 -0.87 -1.26 -4.94 114.94 110.22 2va3 s ASN 254 Ca 0.03 2.52 -0.13 0.00 -1.57 0.00 0.00 52.86 53.71 2va3 s ASN 254 Cb 0.02 -2.61 0.01 0.00 -0.02 0.00 0.00 41.25 38.66 2va3 s ASN 254 CO -0.05 -2.15 0.59 -0.55 -2.57 0.00 0.00 177.10 172.38 2va3 s SER 255 N -1.64 0.08 0.00 -1.22 0.15 -0.98 -4.94 113.70 105.15 2va3 s SER 255 Ca 0.79 -1.01 0.00 0.00 0.70 0.00 0.00 55.95 56.43 2va3 s SER 255 Cb -0.34 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2va3 s SER 255 CO 0.42 -1.33 0.10 -1.14 1.20 0.00 0.00 173.24 172.49 2va3 n ARG 256 N -0.46 0.00 -3.45 5.44 0.63 -1.26 -0.58 116.66 116.97 2va3 n ARG 256 Ca -0.03 -0.10 -0.37 0.00 -0.92 0.00 0.00 57.85 56.43 2va3 n ARG 256 Cb 0.61 -0.13 -0.07 0.00 0.45 0.00 0.00 32.46 33.32 2va3 n ARG 256 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2va3 s ASN 257 N 0.00 6.55 0.07 6.15 3.84 -1.26 -5.01 114.94 125.29 2va3 s ASN 257 Ca 0.00 0.65 -0.32 0.00 0.21 0.00 0.00 52.86 53.40 2va3 s ASN 257 Cb 0.00 -2.23 -0.18 0.00 -0.55 0.00 0.00 41.25 38.29 2va3 s ASN 257 CO 0.00 0.07 1.64 0.25 -2.79 0.00 0.00 177.10 176.27 2va3 h LEU 258 N 6.58 -0.71 -1.78 3.21 6.46 -1.99 -2.71 115.31 124.37 2va3 h LEU 258 Ca -0.42 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 57.40 2va3 h LEU 258 Cb 1.17 0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 41.29 2va3 h LEU 258 CO 0.75 -0.50 0.44 -0.33 -0.62 0.00 0.00 178.44 178.18 2va3 h GLU 259 N -0.82 0.00 0.00 1.25 4.39 -2.01 0.11 114.58 117.51 2va3 h GLU 259 Ca -0.08 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.49 2va3 h GLU 259 Cb 0.63 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 2va3 h GLU 259 CO 0.13 0.00 -1.23 1.49 -1.16 0.00 0.00 179.01 178.24 2va3 h GLU 260 N 0.00 0.00 0.00 2.33 4.81 -1.91 -3.34 114.58 116.47 2va3 h GLU 260 Ca 0.05 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 2va3 h GLU 260 Cb 0.93 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 2va3 h GLU 260 CO -0.00 0.26 -1.20 -0.89 -0.73 0.00 0.00 179.01 176.45 2va3 n ILE 261 N -2.89 0.73 -0.04 2.32 5.41 0.25 -4.46 119.36 120.67 2va3 n ILE 261 Ca -0.07 -0.59 -0.13 0.00 1.00 0.00 0.00 62.75 62.96 2va3 n ILE 261 Cb 0.78 -0.42 -0.09 0.00 -0.71 0.00 0.00 39.64 39.20 2va3 n ILE 261 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2va3 h LYS 262 N 0.00 -0.46 -0.50 0.38 1.57 -1.30 -2.42 116.57 113.83 2va3 h LYS 262 Ca -0.05 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 2va3 h LYS 262 Cb 1.16 0.11 -0.10 0.00 0.08 0.00 0.00 32.23 33.48 2va3 h LYS 262 CO 0.01 -0.31 -0.48 -1.00 -0.57 0.00 0.00 179.45 177.11 2va3 h PRO 263 N -0.48 -0.28 -0.09 3.15 0.13 -1.80 0.57 132.00 133.21 2va3 h PRO 263 Ca 0.04 0.02 0.04 0.00 -0.87 0.00 0.00 66.00 65.23 2va3 h PRO 263 Cb 0.60 0.06 -0.06 0.00 0.13 0.00 0.00 31.00 31.73 2va3 h PRO 263 CO -0.44 -0.19 -0.32 1.88 -0.23 0.00 0.00 178.00 178.70 2va3 h TYR 264 N -0.29 -0.88 -0.96 1.56 0.05 -1.81 -2.08 116.97 112.56 2va3 h TYR 264 Ca 0.14 0.03 0.13 0.00 0.05 0.00 0.00 58.73 59.08 2va3 h TYR 264 Cb 0.57 0.40 -0.09 0.00 1.01 0.00 0.00 36.73 38.62 2va3 h TYR 264 CO -0.71 -0.40 0.58 1.25 -1.05 0.00 0.00 178.16 177.83 2va3 h LEU 265 N -0.42 0.82 -1.49 3.88 5.85 -0.87 -1.53 115.31 121.54 2va3 h LEU 265 Ca 0.08 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 2va3 h LEU 265 Cb 0.55 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2va3 h LEU 265 CO -0.32 0.41 -0.23 -0.26 -0.34 0.00 0.00 178.44 177.69 2va3 h PHE 266 N 0.88 0.00 -0.15 1.25 0.04 -0.24 -2.05 116.94 116.68 2va3 h PHE 266 Ca 0.49 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 61.05 2va3 h PHE 266 Cb 0.56 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.71 2va3 h PHE 266 CO -0.02 0.23 -0.74 -0.09 -0.60 0.00 0.00 178.31 177.09 2va3 h ARG 267 N 0.00 0.69 -0.34 1.51 2.43 -0.78 -1.19 114.38 116.69 2va3 h ARG 267 Ca -0.00 -0.55 0.01 0.00 -0.81 0.00 0.00 59.98 58.63 2va3 h ARG 267 Cb 0.55 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 2va3 h ARG 267 CO 0.03 1.17 0.21 0.00 -1.51 0.00 0.00 179.97 179.87 2va3 h ALA 268 N 0.68 0.43 -0.05 2.80 0.00 -1.09 0.16 119.26 122.19 2va3 h ALA 268 Ca -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2va3 h ALA 268 Cb 1.35 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2va3 h ALA 268 CO 0.15 -0.14 0.02 0.82 0.00 0.00 0.00 179.25 180.10 2va3 h ILE 269 N 0.43 1.13 0.17 0.00 2.04 -1.34 -0.02 117.51 119.91 2va3 h ILE 269 Ca 0.13 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 2va3 h ILE 269 Cb -0.01 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2va3 h ILE 269 CO -0.05 0.11 -0.20 -0.33 0.00 0.00 0.00 178.15 177.67 2va3 h GLU 270 N -0.06 -0.37 -0.29 2.37 4.39 -0.83 -0.15 114.58 119.65 2va3 h GLU 270 Ca 0.02 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.83 2va3 h GLU 270 Cb 0.15 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2va3 h GLU 270 CO -0.00 -0.24 0.29 0.93 -1.16 0.00 0.00 179.01 178.82 2va3 h GLU 271 N -0.38 0.00 -0.02 2.33 5.08 -0.74 -0.18 114.58 120.67 2va3 h GLU 271 Ca -0.02 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.13 2va3 h GLU 271 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2va3 h GLU 271 CO -0.04 0.00 -0.88 0.77 -1.00 0.00 0.00 179.01 177.85 2va3 h SER 272 N 0.00 0.46 0.75 1.42 0.02 -0.49 -2.67 113.55 113.04 2va3 h SER 272 Ca 0.14 -0.35 -0.08 0.00 -0.84 0.00 0.00 61.79 60.66 2va3 h SER 272 Cb 0.71 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2va3 h SER 272 CO -0.00 1.14 -0.36 1.88 -1.14 0.00 0.00 176.83 178.35 2va3 h TYR 273 N 0.21 0.00 -0.16 3.45 0.05 0.79 -0.37 116.97 120.94 2va3 h TYR 273 Ca -0.06 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.53 2va3 h TYR 273 Cb 1.50 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.24 2va3 h TYR 273 CO 0.05 0.36 -0.65 -0.92 -1.05 0.00 0.00 178.16 175.95 2va3 h TYR 274 N 0.00 0.80 -0.02 4.88 3.20 -1.32 -3.10 116.97 121.40 2va3 h TYR 274 Ca -0.00 -0.32 -0.16 0.00 3.14 0.00 0.00 58.73 61.39 2va3 h TYR 274 Cb 0.84 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 2va3 h TYR 274 CO 0.00 1.09 -0.71 -0.22 -1.64 0.00 0.00 178.16 176.68 2va3 h LYS 275 N 0.45 0.12 0.18 1.82 3.64 -1.09 -3.19 116.57 118.50 2va3 h LYS 275 Ca -0.01 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2va3 h LYS 275 Cb 1.23 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 2va3 h LYS 275 CO 0.12 0.78 -0.17 -0.07 -2.27 0.00 0.00 179.45 177.85 2va3 h LEU 276 N 0.08 -0.44 -2.52 5.20 3.38 -1.02 -3.48 115.31 116.51 2va3 h LEU 276 Ca -0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2va3 h LEU 276 Cb 1.25 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 42.11 2va3 h LEU 276 CO 0.10 -0.25 -1.01 -0.67 0.09 0.00 0.00 178.44 176.70 2va3 n ASP 277 N -5.29 -5.17 0.00 -0.43 2.03 -1.18 -3.47 116.55 103.05 2va3 n ASP 277 Ca -0.08 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.36 2va3 n ASP 277 Cb 0.21 -3.90 0.00 0.00 -0.72 0.00 0.00 41.12 36.70 2va3 n ASP 277 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2va3 n LYS 278 N 1.51 0.00 -2.64 -0.67 4.01 -1.26 -4.95 118.16 114.16 2va3 n LYS 278 Ca -0.14 0.00 -0.39 0.00 -0.51 0.00 0.00 58.31 57.27 2va3 n LYS 278 Cb 0.31 -2.99 -0.05 0.00 -0.51 0.00 0.00 35.03 31.79 2va3 n LYS 278 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2va3 s ARG 279 N 0.00 4.63 -0.38 1.97 0.52 -1.23 -5.01 118.95 119.45 2va3 s ARG 279 Ca 0.00 1.56 -0.01 0.00 -0.52 0.00 0.00 55.73 56.76 2va3 s ARG 279 Cb 0.00 -3.05 0.10 0.00 0.52 0.00 0.00 34.95 32.52 2va3 s ARG 279 CO 0.00 0.28 0.15 0.42 0.02 0.00 0.00 175.30 176.17 2va3 s ILE 280 N -1.33 3.00 0.33 1.52 -1.09 -1.26 -4.96 121.20 117.41 2va3 s ILE 280 Ca 0.46 -2.08 -0.27 0.00 -2.23 0.00 0.00 60.65 56.53 2va3 s ILE 280 Cb -0.26 -3.07 -0.09 0.00 -1.58 0.00 0.00 42.46 37.46 2va3 s ILE 280 CO 0.33 -0.62 1.10 -2.16 -1.23 0.00 0.00 174.94 172.35 2va3 s PRO 281 N 1.09 4.44 0.00 2.79 0.04 -1.26 -3.16 135.00 138.94 2va3 s PRO 281 Ca 0.08 1.74 0.10 0.00 0.04 0.00 0.00 61.00 62.96 2va3 s PRO 281 Cb -0.22 -2.96 -0.06 0.00 0.04 0.00 0.00 34.50 31.30 2va3 s PRO 281 CO -0.05 0.05 0.50 1.63 0.04 0.00 0.00 177.00 179.17 2va3 n LYS 282 N 0.72 3.12 -4.81 4.56 5.02 -1.00 0.44 118.16 126.20 2va3 n LYS 282 Ca 0.01 -0.25 -0.26 0.00 -2.02 0.00 0.00 58.31 55.80 2va3 n LYS 282 Cb 0.46 -1.01 -0.15 0.00 -0.02 0.00 0.00 35.03 34.32 2va3 n LYS 282 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2va3 s ALA 283 N -1.69 1.63 0.02 7.82 0.00 -1.04 0.26 121.76 128.77 2va3 s ALA 283 Ca 0.06 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.17 2va3 s ALA 283 Cb 0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 2va3 s ALA 283 CO 0.34 0.39 -0.16 -1.50 0.00 0.00 0.00 175.76 174.82 2va3 s ILE 284 N -0.58 1.29 -0.03 0.00 2.07 -0.52 -2.20 121.20 121.23 2va3 s ILE 284 Ca 0.07 -0.92 0.01 0.00 -1.41 0.00 0.00 60.65 58.40 2va3 s ILE 284 Cb -0.08 -1.12 0.02 0.00 0.13 0.00 0.00 42.46 41.42 2va3 s ILE 284 CO 0.00 0.19 -0.01 -1.00 -1.91 0.00 0.00 174.94 172.21 2va3 s HIS 285 N -0.65 0.41 -0.22 3.50 3.76 0.67 -1.03 115.29 121.74 2va3 s HIS 285 Ca 0.05 -0.05 -0.06 0.00 -0.15 0.00 0.00 55.06 54.85 2va3 s HIS 285 Cb -0.07 -0.45 -0.02 0.00 1.11 0.00 0.00 32.58 33.14 2va3 s HIS 285 CO 0.01 -0.13 0.02 0.08 -0.85 0.00 0.00 174.74 173.87 2va3 s VAL 286 N 0.92 4.06 -0.09 -0.90 1.01 0.62 0.15 120.40 126.17 2va3 s VAL 286 Ca -0.10 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2va3 s VAL 286 Cb -0.13 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 2va3 s VAL 286 CO -0.01 0.39 -0.10 -0.69 0.00 0.00 0.00 175.10 174.69 2va3 s VAL 287 N 1.26 3.36 0.11 2.92 1.01 -0.33 -1.57 120.40 127.17 2va3 s VAL 287 Ca 0.04 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.50 2va3 s VAL 287 Cb -0.15 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 2va3 s VAL 287 CO 0.02 0.57 -0.17 0.00 0.00 0.00 0.00 175.10 175.52 2va3 s ALA 288 N -0.39 1.61 -0.31 5.51 0.00 0.86 -0.38 121.76 128.66 2va3 s ALA 288 Ca 0.05 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 50.79 2va3 s ALA 288 Cb -0.12 -0.15 0.09 0.00 0.00 0.00 0.00 23.12 22.93 2va3 s ALA 288 CO 0.02 0.22 0.02 0.08 0.00 0.00 0.00 175.76 176.10 2va3 s VAL 289 N -1.62 2.06 0.92 0.00 1.01 -0.09 -0.58 120.40 122.10 2va3 s VAL 289 Ca 0.07 -2.03 -0.12 0.00 0.00 0.00 0.00 61.98 59.90 2va3 s VAL 289 Cb -0.08 -2.44 0.06 0.00 0.00 0.00 0.00 36.38 33.92 2va3 s VAL 289 CO 0.04 -0.46 0.62 0.35 0.00 0.00 0.00 175.10 175.65 2va3 n THR 290 N 4.38 0.26 -0.28 3.92 -2.24 0.14 0.05 114.28 120.51 2va3 n THR 290 Ca -0.01 -0.17 0.34 0.00 -2.27 0.00 0.00 64.05 61.94 2va3 n THR 290 Cb 0.42 -0.75 0.74 0.00 -2.10 0.00 0.00 70.33 68.65 2va3 n THR 290 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2va3 h GLU 291 N -1.50 0.00 -1.96 -0.78 4.11 -0.81 -1.08 114.58 112.55 2va3 h GLU 291 Ca -0.44 0.00 -0.75 0.00 0.07 0.00 0.00 59.36 58.24 2va3 h GLU 291 Cb 1.29 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.25 2va3 h GLU 291 CO 0.37 0.00 0.89 -0.40 0.07 0.00 0.00 179.01 179.94 2va3 n ASP 292 N -4.10 7.25 -4.40 3.06 3.85 -1.26 -4.90 116.55 116.04 2va3 n ASP 292 Ca 0.24 -3.82 -0.40 0.00 -0.71 0.00 0.00 54.79 50.10 2va3 n ASP 292 Cb 1.21 -1.01 -0.07 0.00 -1.35 0.00 0.00 41.12 39.90 2va3 n ASP 292 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 2va3 n LEU 293 N -0.52 -0.88 -4.64 -2.12 7.99 -0.41 -4.95 117.00 111.47 2va3 n LEU 293 Ca 0.52 -1.13 -0.32 0.00 -0.01 0.00 0.00 56.01 55.08 2va3 n LEU 293 Cb 0.27 -1.62 -0.09 0.00 -0.11 0.00 0.00 43.42 41.87 2va3 n LEU 293 CO 0.49 0.11 -0.36 -0.62 -1.51 0.00 0.00 177.39 175.51 2va3 s ASP 294 N -3.18 4.85 -0.22 -1.43 2.15 -1.24 -4.90 116.67 112.71 2va3 s ASP 294 Ca 0.78 -0.13 -0.08 0.00 0.43 0.00 0.00 52.55 53.56 2va3 s ASP 294 Cb -0.45 -1.17 -0.04 0.00 -0.30 0.00 0.00 42.92 40.96 2va3 s ASP 294 CO 0.96 0.25 0.08 -0.63 -0.17 0.00 0.00 175.17 175.66 2va3 s ILE 295 N -1.11 4.70 -0.07 4.11 1.01 -1.26 0.28 121.20 128.85 2va3 s ILE 295 Ca 0.20 -0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.82 2va3 s ILE 295 Cb -0.11 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.21 2va3 s ILE 295 CO 0.11 0.39 -0.15 0.54 0.00 0.00 0.00 174.94 175.84 2va3 s VAL 296 N 0.95 1.34 0.05 2.92 0.11 0.25 -4.98 120.40 121.04 2va3 s VAL 296 Ca 0.04 -0.60 0.02 0.00 -2.93 0.00 0.00 61.98 58.51 2va3 s VAL 296 Cb -0.14 -1.21 -0.03 0.00 -1.53 0.00 0.00 36.38 33.48 2va3 s VAL 296 CO 0.03 0.40 -0.07 -0.94 -3.33 0.00 0.00 175.10 171.19 2va3 s SER 297 N 0.59 0.90 -0.00 3.54 1.04 -1.26 -0.09 113.70 118.41 2va3 s SER 297 Ca -0.16 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.64 2va3 s SER 297 Cb -0.16 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.01 2va3 s SER 297 CO 0.05 -0.26 -0.01 -0.13 0.98 0.00 0.00 173.24 173.87 2va3 s ARG 298 N -2.02 0.13 0.29 4.02 1.81 -0.61 -4.99 118.95 117.58 2va3 s ARG 298 Ca -0.06 -0.03 -0.02 0.00 -1.72 0.00 0.00 55.73 53.90 2va3 s ARG 298 Cb -0.07 -0.16 -0.02 0.00 -0.45 0.00 0.00 34.95 34.25 2va3 s ARG 298 CO -0.01 0.01 0.35 0.20 -0.68 0.00 0.00 175.30 175.17 2va3 s GLY 299 N 0.13 1.49 -0.20 -3.53 0.00 -1.26 -0.28 107.32 103.68 2va3 s GLY 299 Ca -0.01 -1.57 -0.14 0.00 0.00 0.00 0.00 44.72 43.00 2va3 s GLY 299 CO -0.00 -1.13 0.49 -1.60 0.00 0.00 0.00 173.10 170.86 2va3 s ARG 300 N -3.56 0.52 -0.22 2.90 3.52 -0.19 -4.99 118.95 116.92 2va3 s ARG 300 Ca 0.33 0.83 -0.10 0.00 -0.13 0.00 0.00 55.73 56.66 2va3 s ARG 300 Cb 0.02 0.13 -0.05 0.00 -1.56 0.00 0.00 34.95 33.49 2va3 s ARG 300 CO 0.18 -0.12 0.13 0.99 -0.81 0.00 0.00 175.30 175.67 2va3 s THR 301 N 0.98 5.24 0.07 4.11 2.01 -1.26 -1.44 115.64 125.35 2va3 s THR 301 Ca -0.06 0.13 -0.02 0.00 0.31 0.00 0.00 61.69 62.06 2va3 s THR 301 Cb -0.06 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 2va3 s THR 301 CO -0.09 0.38 0.26 -0.36 -0.69 0.00 0.00 174.62 174.12 2va3 s PHE 302 N 0.84 3.52 -2.00 4.92 0.40 0.14 -4.95 117.98 120.84 2va3 s PHE 302 Ca 0.07 0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.79 2va3 s PHE 302 Cb -0.13 -1.85 0.11 0.00 0.51 0.00 0.00 43.02 41.66 2va3 s PHE 302 CO 0.02 0.56 0.65 -0.35 0.70 0.00 0.00 175.22 176.80 2va3 n PRO 303 N 0.38 0.55 -3.85 0.24 -0.04 -1.26 -4.72 135.00 126.30 2va3 n PRO 303 Ca -0.05 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.33 2va3 n PRO 303 Cb 0.51 -1.05 -0.01 0.00 -0.04 0.00 0.00 33.50 32.92 2va3 n PRO 303 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2va3 s HIS 304 N -2.00 -0.06 0.92 0.54 -3.43 -1.26 -5.17 115.29 104.82 2va3 s HIS 304 Ca 0.03 -0.47 -0.11 0.00 -0.80 0.00 0.00 55.06 53.71 2va3 s HIS 304 Cb 0.01 0.74 0.14 0.00 -1.43 0.00 0.00 32.58 32.04 2va3 s HIS 304 CO 0.02 -1.35 1.10 0.20 -2.00 0.00 0.00 174.74 172.72 2va3 s GLY 305 N -2.98 1.65 -0.15 -1.38 0.00 -1.26 -4.54 107.32 98.66 2va3 s GLY 305 Ca 0.13 0.27 -0.05 0.00 0.00 0.00 0.00 44.72 45.07 2va3 s GLY 305 CO 0.09 0.73 0.01 -0.42 0.00 0.00 0.00 173.10 173.51 2va3 s ILE 306 N -2.74 4.35 0.42 0.90 1.01 0.17 -4.91 121.20 120.40 2va3 s ILE 306 Ca 0.65 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 61.11 2va3 s ILE 306 Cb -0.21 -2.92 -0.01 0.00 0.01 0.00 0.00 42.46 39.33 2va3 s ILE 306 CO 0.58 0.50 0.62 -0.94 0.00 0.00 0.00 174.94 175.71 2va3 s SER 307 N 0.15 5.96 0.20 3.58 1.04 -1.26 -4.66 113.70 118.70 2va3 s SER 307 Ca 0.02 0.29 -0.10 0.00 0.48 0.00 0.00 55.95 56.63 2va3 s SER 307 Cb -0.13 -1.63 0.27 0.00 0.10 0.00 0.00 66.02 64.63 2va3 s SER 307 CO 0.02 -0.58 1.73 0.50 0.98 0.00 0.00 173.24 175.89 2va3 h LYS 308 N 0.52 0.33 -0.55 4.02 3.64 -1.99 -0.78 116.57 121.76 2va3 h LYS 308 Ca -0.47 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2va3 h LYS 308 Cb 1.24 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 2va3 h LYS 308 CO 0.58 0.22 0.33 0.93 -2.27 0.00 0.00 179.45 179.24 2va3 h GLU 309 N 0.35 0.76 -0.37 1.90 3.07 -2.00 -2.10 114.58 116.18 2va3 h GLU 309 Ca 0.30 -0.07 0.02 0.00 -0.50 0.00 0.00 59.36 59.11 2va3 h GLU 309 Cb 0.39 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 2va3 h GLU 309 CO -0.33 0.55 0.20 1.15 -1.40 0.00 0.00 179.01 179.18 2va3 h THR 310 N 0.75 1.00 -0.44 1.13 2.02 -1.62 -2.55 112.91 113.21 2va3 h THR 310 Ca 0.20 -0.14 0.06 0.00 0.77 0.00 0.00 66.41 67.29 2va3 h THR 310 Cb -0.01 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 66.91 2va3 h THR 310 CO -0.04 0.07 0.16 0.00 0.37 0.00 0.00 175.52 176.08 2va3 h ALA 311 N 1.18 0.53 0.18 6.16 0.00 -0.92 0.58 119.26 126.97 2va3 h ALA 311 Ca 0.15 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2va3 h ALA 311 Cb 0.04 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2va3 h ALA 311 CO -0.09 -0.23 -0.46 1.88 0.00 0.00 0.00 179.25 180.34 2va3 h TYR 312 N 0.33 -1.31 0.00 0.00 0.05 -1.02 0.24 116.97 115.25 2va3 h TYR 312 Ca 0.21 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.98 2va3 h TYR 312 Cb 0.20 0.55 -0.01 0.00 1.01 0.00 0.00 36.73 38.48 2va3 h TYR 312 CO -0.15 -0.57 -0.19 0.66 -1.05 0.00 0.00 178.16 176.86 2va3 h SER 313 N -0.74 0.00 0.17 3.88 4.64 -1.22 -2.60 113.55 117.67 2va3 h SER 313 Ca -0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 2va3 h SER 313 Cb 0.74 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.86 2va3 h SER 313 CO -0.23 0.19 -1.27 -0.33 -0.87 0.00 0.00 176.83 174.32 2va3 h GLU 314 N 0.00 0.57 -0.77 4.77 4.39 -0.34 -3.01 114.58 120.18 2va3 h GLU 314 Ca -0.00 -0.83 -0.01 0.00 0.34 0.00 0.00 59.36 58.85 2va3 h GLU 314 Cb 0.52 0.29 -0.04 0.00 -0.10 0.00 0.00 28.75 29.42 2va3 h GLU 314 CO 0.02 1.39 0.44 0.66 -1.16 0.00 0.00 179.01 180.36 2va3 h SER 315 N 0.17 0.94 -0.57 1.42 4.64 -0.40 -1.51 113.55 118.24 2va3 h SER 315 Ca -0.21 -0.08 0.07 0.00 -0.47 0.00 0.00 61.79 61.10 2va3 h SER 315 Cb 1.96 -0.24 -0.06 0.00 -0.31 0.00 0.00 62.40 63.75 2va3 h SER 315 CO 0.24 0.75 0.25 0.58 -0.87 0.00 0.00 176.83 177.78 2va3 h VAL 316 N 1.06 0.86 0.58 0.95 2.07 -1.51 0.49 116.25 120.75 2va3 h VAL 316 Ca 0.27 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.61 2va3 h VAL 316 Cb 0.00 0.36 0.01 0.00 -1.52 0.00 0.00 31.29 30.14 2va3 h VAL 316 CO -0.05 0.08 -0.28 0.11 0.02 0.00 0.00 177.57 177.46 2va3 h LYS 317 N 0.46 -0.75 -0.49 1.57 1.57 -1.24 -1.51 116.57 116.18 2va3 h LYS 317 Ca 0.27 0.05 0.14 0.00 -1.87 0.00 0.00 60.65 59.24 2va3 h LYS 317 Cb 0.26 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2va3 h LYS 317 CO -0.23 -0.47 0.36 -0.07 -0.57 0.00 0.00 179.45 178.47 2va3 h LEU 318 N -0.88 0.00 -0.12 2.94 3.38 -1.03 -0.21 115.31 119.40 2va3 h LEU 318 Ca -0.08 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 2va3 h LEU 318 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2va3 h LEU 318 CO 0.13 0.00 -0.31 0.25 0.09 0.00 0.00 178.44 178.61 2va3 h LEU 319 N 0.00 0.47 -1.01 1.67 5.85 -0.58 -1.23 115.31 120.47 2va3 h LEU 319 Ca 0.23 -0.59 0.01 0.00 0.84 0.00 0.00 57.88 58.38 2va3 h LEU 319 Cb 0.95 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 2va3 h LEU 319 CO -0.00 0.97 0.67 1.56 -0.34 0.00 0.00 178.44 181.30 2va3 h GLN 320 N -0.01 1.32 -0.21 1.25 4.20 -0.08 -0.01 115.11 121.57 2va3 h GLN 320 Ca -0.01 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 2va3 h GLN 320 Cb 0.92 -0.30 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 2va3 h GLN 320 CO 0.07 0.88 -0.09 -0.22 -0.67 0.00 0.00 178.83 178.79 2va3 h LYS 321 N 1.36 0.33 0.19 1.46 3.64 -1.02 -1.81 116.57 120.72 2va3 h LYS 321 Ca 0.37 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 2va3 h LYS 321 Cb -0.15 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 2va3 h LYS 321 CO -0.08 0.43 -0.09 0.82 -2.27 0.00 0.00 179.45 178.25 2va3 h ILE 322 N 0.31 0.64 -0.02 2.00 2.04 0.11 -2.17 117.51 120.43 2va3 h ILE 322 Ca 0.07 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 64.88 2va3 h ILE 322 Cb 0.35 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2va3 h ILE 322 CO 0.02 0.17 0.12 -0.07 0.00 0.00 0.00 178.15 178.39 2va3 h LEU 323 N -0.93 0.00 0.03 1.44 3.38 -1.01 0.44 115.31 118.66 2va3 h LEU 323 Ca -0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 2va3 h LEU 323 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2va3 h LEU 323 CO 0.04 0.00 -0.46 -0.08 0.09 0.00 0.00 178.44 178.03 2va3 h GLU 324 N 0.00 0.07 -0.32 1.13 4.81 -1.34 -3.36 114.58 115.56 2va3 h GLU 324 Ca 0.01 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.02 2va3 h GLU 324 Cb 0.24 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2va3 h GLU 324 CO -0.00 1.06 -0.20 0.93 -0.73 0.00 0.00 179.01 180.06 2va3 h GLU 325 N -0.84 0.61 -6.46 1.92 5.08 -0.61 -3.43 114.58 110.85 2va3 h GLU 325 Ca -0.11 -0.22 -0.66 0.00 -1.00 0.00 0.00 59.36 57.38 2va3 h GLU 325 Cb 1.22 -0.04 -0.14 0.00 0.50 0.00 0.00 28.75 30.29 2va3 h GLU 325 CO -0.00 0.77 -0.70 0.34 -1.00 0.00 0.00 179.01 178.42 2va3 s ASP 326 N -6.77 4.68 -0.11 1.42 -1.08 0.05 -5.03 116.67 109.82 2va3 s ASP 326 Ca -0.08 -0.30 0.19 0.00 -0.52 0.00 0.00 52.55 51.84 2va3 s ASP 326 Cb 0.14 -1.00 -0.28 0.00 -1.46 0.00 0.00 42.92 40.33 2va3 s ASP 326 CO 0.81 0.17 0.29 -0.62 0.52 0.00 0.00 175.17 176.34 2va3 n GLU 327 N 0.59 0.67 -0.71 4.34 -0.58 -1.26 -4.55 120.64 119.14 2va3 n GLU 327 Ca -0.12 -0.06 -0.31 0.00 -0.42 0.00 0.00 57.16 56.25 2va3 n GLU 327 Cb 0.52 -1.54 0.17 0.00 -0.57 0.00 0.00 31.44 30.02 2va3 n GLU 327 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2va3 s ARG 328 N -2.93 0.99 0.65 3.49 0.52 -1.26 -5.00 118.95 115.42 2va3 s ARG 328 Ca -0.09 1.52 -0.11 0.00 -0.52 0.00 0.00 55.73 56.53 2va3 s ARG 328 Cb 0.09 -1.73 -0.02 0.00 0.52 0.00 0.00 34.95 33.82 2va3 s ARG 328 CO 0.86 -2.64 1.05 0.15 0.02 0.00 0.00 175.30 174.74 2va3 s LYS 329 N -4.65 3.31 -0.16 3.54 1.02 -1.26 -4.87 119.74 116.67 2va3 s LYS 329 Ca 0.67 0.65 -0.07 0.00 0.02 0.00 0.00 55.97 57.24 2va3 s LYS 329 Cb -0.23 -2.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 2va3 s LYS 329 CO 0.58 -0.75 0.07 0.42 -0.92 0.00 0.00 175.35 174.75 2va3 s ILE 330 N -3.24 4.91 -0.24 2.17 1.01 0.25 -0.10 121.20 125.96 2va3 s ILE 330 Ca 0.56 -0.00 0.05 0.00 0.00 0.00 0.00 60.65 61.26 2va3 s ILE 330 Cb -0.11 -3.18 -0.18 0.00 0.01 0.00 0.00 42.46 39.00 2va3 s ILE 330 CO 0.53 0.51 -0.16 -1.14 0.00 0.00 0.00 174.94 174.68 2va3 n ARG 331 N 3.02 0.66 -4.19 2.79 0.63 0.11 -2.33 116.66 117.35 2va3 n ARG 331 Ca -0.17 0.11 -0.16 0.00 -0.92 0.00 0.00 57.85 56.71 2va3 n ARG 331 Cb 0.53 -1.50 -0.13 0.00 0.45 0.00 0.00 32.46 31.82 2va3 n ARG 331 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2va3 s ARG 332 N -2.49 0.66 -0.01 -0.14 0.52 -1.01 -2.81 118.95 113.67 2va3 s ARG 332 Ca -0.29 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.28 2va3 s ARG 332 Cb 0.08 -0.58 0.01 0.00 0.52 0.00 0.00 34.95 34.98 2va3 s ARG 332 CO 0.61 0.14 0.00 -1.50 0.02 0.00 0.00 175.30 174.57 2va3 s ILE 333 N -0.91 0.02 0.28 1.52 1.10 -0.69 -0.91 121.20 121.60 2va3 s ILE 333 Ca -0.03 0.04 -0.05 0.00 -0.51 0.00 0.00 60.65 60.11 2va3 s ILE 333 Cb -0.07 -0.06 0.02 0.00 0.15 0.00 0.00 42.46 42.49 2va3 s ILE 333 CO 0.01 0.04 0.44 0.61 -2.11 0.00 0.00 174.94 173.93 2va3 n GLY 334 N 3.41 1.97 3.17 1.50 0.00 0.48 -0.79 105.19 114.94 2va3 n GLY 334 Ca -0.17 -1.43 -0.11 0.00 0.00 0.00 0.00 46.02 44.30 2va3 n GLY 334 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2va3 s VAL 335 N -2.59 0.76 -0.17 1.61 -7.23 -1.11 -1.18 120.40 110.48 2va3 s VAL 335 Ca 0.18 -1.85 -0.04 0.00 -1.81 0.00 0.00 61.98 58.46 2va3 s VAL 335 Cb -0.02 -1.58 0.08 0.00 0.56 0.00 0.00 36.38 35.42 2va3 s VAL 335 CO 0.13 -0.79 0.23 -0.60 -0.31 0.00 0.00 175.10 173.77 2va3 s ARG 336 N -3.55 0.16 -0.19 4.82 3.52 0.40 -2.67 118.95 121.45 2va3 s ARG 336 Ca 0.10 0.43 -0.12 0.00 -0.13 0.00 0.00 55.73 56.02 2va3 s ARG 336 Cb 0.03 -0.69 -0.05 0.00 -1.56 0.00 0.00 34.95 32.68 2va3 s ARG 336 CO -0.03 -0.50 0.21 -0.06 -0.81 0.00 0.00 175.30 174.11 2va3 s PHE 337 N 2.36 3.42 0.00 5.12 0.08 0.71 -0.24 117.98 129.44 2va3 s PHE 337 Ca 0.05 0.44 0.00 0.00 0.12 0.00 0.00 56.93 57.54 2va3 s PHE 337 Cb -0.14 -2.25 0.00 0.00 -0.57 0.00 0.00 43.02 40.06 2va3 s PHE 337 CO -0.10 0.24 0.00 -1.13 -0.10 0.00 0.00 175.22 174.13 2va3 n SER 338 N 3.62 0.00 -3.76 1.36 3.41 -0.93 -0.89 113.62 116.43 2va3 n SER 338 Ca -0.14 -0.70 -0.23 0.00 -0.26 0.00 0.00 58.87 57.54 2va3 n SER 338 Cb 0.52 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.49 2va3 n SER 338 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2va3 n LYS 339 N 0.00 -4.82 0.00 4.33 4.01 -1.26 -2.38 118.16 118.04 2va3 n LYS 339 Ca 0.00 0.59 0.00 0.00 -0.51 0.00 0.00 58.31 58.39 2va3 n LYS 339 Cb 0.00 -5.15 0.00 0.00 -0.51 0.00 0.00 35.03 29.37 2va3 n LYS 339 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 2va3 n PHE 340 N -4.34 -1.44 -3.53 2.13 3.01 -1.26 -2.59 117.46 109.43 2va3 n PHE 340 Ca -0.25 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.20 2va3 n PHE 340 Cb 0.66 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.09 2va3 n PHE 340 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 2va3 s ILE 341 N -0.42 -0.68 0.00 4.37 -4.36 -1.19 -4.77 121.20 114.16 2va3 s ILE 341 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.39 2va3 s ILE 341 Cb 0.00 -1.00 0.00 0.00 1.25 0.00 0.00 42.46 42.71 2va3 s ILE 341 CO 0.00 0.00 0.00 1.21 0.24 0.00 0.00 174.94 176.39 2va3 n GLU 342 N 5.10 0.66 0.00 0.37 4.07 -1.26 -4.50 120.64 125.08 2va3 n GLU 342 Ca -0.11 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.99 2va3 n GLU 342 Cb 0.51 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.89 2va3 n GLU 342 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07