#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vak s SER 5 N 0.00 6.49 0.55 7.28 0.15 -1.26 -4.90 113.70 122.00 2vak s SER 5 Ca 0.00 2.77 0.37 0.00 0.70 0.00 0.00 55.95 59.78 2vak s SER 5 Cb 0.00 -2.65 1.92 0.00 -1.71 0.00 0.00 66.02 63.58 2vak s SER 5 CO 0.00 -0.74 2.12 1.05 1.20 0.00 0.00 173.24 176.87 2vak h GLU 6 N 3.02 0.00 0.00 5.44 4.11 -2.04 -2.79 114.58 122.31 2vak h GLU 6 Ca -0.50 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.75 2vak h GLU 6 Cb 1.24 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 2vak h GLU 6 CO 0.64 0.00 -2.15 1.19 0.07 0.00 0.00 179.01 178.76 2vak n PHE 7 N -2.84 0.06 -2.06 2.06 3.72 -1.26 -4.89 117.46 112.25 2vak n PHE 7 Ca -0.02 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2vak n PHE 7 Cb 0.10 -0.78 0.00 0.00 -0.94 0.00 0.00 39.48 37.87 2vak n PHE 7 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2vak n GLY 8 N 1.50 0.48 3.07 1.37 0.00 -1.06 -4.62 105.19 105.94 2vak n GLY 8 Ca -0.18 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 2vak n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vak s SER 9 N -4.00 5.44 0.12 1.61 0.01 -1.26 -4.83 113.70 110.78 2vak s SER 9 Ca 0.00 -3.33 0.24 0.00 1.31 0.00 0.00 55.95 54.17 2vak s SER 9 Cb 0.00 -1.84 0.32 0.00 0.21 0.00 0.00 66.02 64.71 2vak s SER 9 CO 0.00 -0.25 1.30 0.35 0.41 0.00 0.00 173.24 175.04 2vak n THR 10 N 2.83 0.35 -2.40 1.44 -2.24 -1.26 -4.82 114.28 108.18 2vak n THR 10 Ca 0.15 -0.28 -0.43 0.00 -2.27 0.00 0.00 64.05 61.22 2vak n THR 10 Cb 0.37 -0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.46 2vak n THR 10 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 2vak s MET 11 N -3.17 4.28 0.73 -0.78 1.75 -1.26 -4.75 119.30 116.10 2vak s MET 11 Ca 0.06 1.72 -0.16 0.00 -1.25 0.00 0.00 55.69 56.06 2vak s MET 11 Cb 0.13 -3.67 0.01 0.00 2.84 0.00 0.00 34.83 34.14 2vak s MET 11 CO 0.73 -0.60 1.03 0.00 -0.65 0.00 0.00 175.02 175.53 2vak n ALA 12 N 5.95 -0.09 -2.09 4.11 0.00 -1.26 -1.14 120.51 125.99 2vak n ALA 12 Ca 0.13 -0.19 -0.41 0.00 0.00 0.00 0.00 53.44 52.97 2vak n ALA 12 Cb 0.45 -2.15 -0.04 0.00 0.00 0.00 0.00 19.45 17.71 2vak n ALA 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2vak s ARG 13 N -3.43 4.53 0.00 0.00 6.06 -1.12 -4.10 118.95 120.89 2vak s ARG 13 Ca 0.74 1.79 0.00 0.00 -2.50 0.00 0.00 55.73 55.76 2vak s ARG 13 Cb -0.34 -3.27 0.00 0.00 0.06 0.00 0.00 34.95 31.40 2vak s ARG 13 CO 0.49 -0.03 0.00 0.00 -2.50 0.00 0.00 175.30 173.27 2vak n ALA 14 N 2.56 1.23 -3.03 6.12 0.00 -1.26 -4.96 120.51 121.18 2vak n ALA 14 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.13 2vak n ALA 14 Cb 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.78 2vak n ALA 14 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2vak s ILE 15 N -1.04 4.06 -0.70 0.00 1.01 -1.26 -5.04 121.20 118.22 2vak s ILE 15 Ca 0.00 -0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.42 2vak s ILE 15 Cb 0.00 -2.83 0.20 0.00 0.01 0.00 0.00 42.46 39.84 2vak s ILE 15 CO 0.00 0.44 0.60 -1.22 0.00 0.00 0.00 174.94 174.76 2vak n TYR 16 N 4.04 3.44 -3.48 3.97 4.01 -1.26 -5.07 117.16 122.80 2vak n TYR 16 Ca -0.17 -4.24 -0.32 0.00 -0.16 0.00 0.00 57.90 53.00 2vak n TYR 16 Cb 0.52 -0.64 -0.05 0.00 -0.31 0.00 0.00 39.34 38.85 2vak n TYR 16 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2vak s ASP 17 N -1.71 6.61 -0.01 7.72 1.01 -1.26 -1.19 116.67 127.84 2vak s ASP 17 Ca 0.30 0.85 0.04 0.00 0.71 0.00 0.00 52.55 54.44 2vak s ASP 17 Cb 0.02 -2.20 -0.01 0.00 1.01 0.00 0.00 42.92 41.74 2vak s ASP 17 CO -0.12 -0.01 -0.13 0.12 0.21 0.00 0.00 175.17 175.25 2vak s PHE 18 N -1.72 1.13 -0.18 4.23 5.36 0.30 -4.86 117.98 122.24 2vak s PHE 18 Ca 0.44 -0.22 0.01 0.00 -0.96 0.00 0.00 56.93 56.20 2vak s PHE 18 Cb -0.12 -0.73 0.02 0.00 -0.34 0.00 0.00 43.02 41.85 2vak s PHE 18 CO 0.21 -0.02 -0.19 0.12 -1.46 0.00 0.00 175.22 173.88 2vak s PHE 19 N -0.28 2.80 0.61 10.12 5.36 -1.26 -0.07 117.98 135.25 2vak s PHE 19 Ca 0.05 -1.62 -0.14 0.00 -0.96 0.00 0.00 56.93 54.26 2vak s PHE 19 Cb -0.05 -1.93 -0.03 0.00 -0.34 0.00 0.00 43.02 40.67 2vak s PHE 19 CO -0.00 -0.80 1.04 -1.54 -1.46 0.00 0.00 175.22 172.46 2vak s SER 20 N 1.30 5.86 0.15 6.13 1.04 0.50 -4.22 113.70 124.46 2vak s SER 20 Ca 0.05 1.69 -0.31 0.00 0.48 0.00 0.00 55.95 57.85 2vak s SER 20 Cb -0.13 -2.51 -0.10 0.00 0.10 0.00 0.00 66.02 63.38 2vak s SER 20 CO -0.12 -1.12 1.54 -0.89 0.98 0.00 0.00 173.24 173.63 2vak s THR 21 N -2.71 2.75 0.28 2.02 2.01 -1.26 -3.06 115.64 115.66 2vak s THR 21 Ca 0.61 0.53 -0.30 0.00 0.31 0.00 0.00 61.69 62.83 2vak s THR 21 Cb -0.14 -3.34 -0.12 0.00 0.01 0.00 0.00 72.50 68.91 2vak s THR 21 CO 0.42 0.04 1.58 -2.65 -0.69 0.00 0.00 174.62 173.32 2vak n PRO 22 N 4.04 2.60 -4.47 4.92 -0.02 -1.26 -2.61 135.00 138.19 2vak n PRO 22 Ca 0.14 0.92 -0.23 0.00 -2.02 0.00 0.00 63.50 62.31 2vak n PRO 22 Cb 0.39 -2.69 -0.09 0.00 -0.02 0.00 0.00 33.50 31.09 2vak n PRO 22 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2vak s PHE 23 N 0.08 1.81 0.00 6.00 -0.71 -1.26 -4.86 117.98 119.05 2vak s PHE 23 Ca 0.66 -1.16 0.00 0.00 -1.04 0.00 0.00 56.93 55.38 2vak s PHE 23 Cb -0.52 -1.16 0.00 0.00 -1.21 0.00 0.00 43.02 40.12 2vak s PHE 23 CO 0.47 -0.20 0.00 0.41 -1.34 0.00 0.00 175.22 174.56 2vak n GLY 24 N -0.78 3.04 0.25 1.99 0.00 -1.26 -4.95 105.19 103.48 2vak n GLY 24 Ca -0.04 -1.80 0.08 0.00 0.00 0.00 0.00 46.02 44.26 2vak n GLY 24 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2vak h ASN 25 N 0.00 0.00 -0.46 1.61 2.35 -2.01 -2.97 115.58 114.10 2vak h ASN 25 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2vak h ASN 25 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2vak h ASN 25 CO 0.00 0.09 0.00 0.54 -1.65 0.00 0.00 177.43 176.41 2vak n ARG 26 N -4.33 3.73 0.00 0.81 5.12 -1.26 -5.08 116.66 115.64 2vak n ARG 26 Ca -0.03 -2.88 0.00 0.00 -1.93 0.00 0.00 57.85 53.01 2vak n ARG 26 Cb 0.17 -1.93 0.00 0.00 -1.16 0.00 0.00 32.46 29.54 2vak n ARG 26 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2vak n GLY 27 N 0.31 -1.92 3.68 -0.13 0.00 -1.12 -4.85 105.19 101.15 2vak n GLY 27 Ca 0.23 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 2vak n GLY 27 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2vak s LEU 28 N 0.00 4.40 0.00 0.99 2.96 -1.26 -4.09 118.68 121.68 2vak s LEU 28 Ca 0.00 2.64 -0.03 0.00 -0.22 0.00 0.00 54.13 56.52 2vak s LEU 28 Cb 0.00 -3.55 -0.13 0.00 0.50 0.00 0.00 46.19 43.01 2vak s LEU 28 CO 0.00 -1.00 2.13 0.00 -1.32 0.00 0.00 176.35 176.17 2vak n ALA 29 N 6.46 3.96 -2.19 5.97 0.00 -1.26 -4.77 120.51 128.69 2vak n ALA 29 Ca 0.18 -0.88 -0.11 0.00 0.00 0.00 0.00 53.44 52.64 2vak n ALA 29 Cb 0.40 -2.12 -0.10 0.00 0.00 0.00 0.00 19.45 17.63 2vak n ALA 29 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2vak s THR 30 N 1.62 0.06 0.08 0.00 -1.32 -1.24 -0.98 115.64 113.85 2vak s THR 30 Ca 0.32 -1.93 0.01 0.00 -1.21 0.00 0.00 61.69 58.88 2vak s THR 30 Cb 0.15 -2.21 -0.00 0.00 -1.51 0.00 0.00 72.50 68.93 2vak s THR 30 CO 0.00 -0.29 0.08 -0.46 -2.21 0.00 0.00 174.62 171.74 2vak n ASN 31 N -0.16 -0.21 0.17 8.08 0.23 -1.26 -4.76 115.26 117.35 2vak n ASN 31 Ca -0.03 -1.47 0.05 0.00 -0.53 0.00 0.00 54.58 52.61 2vak n ASN 31 Cb 0.64 0.44 0.14 0.00 -2.08 0.00 0.00 39.78 38.92 2vak n ASN 31 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 2vak h ARG 32 N 0.00 0.00 -0.25 -3.83 2.43 -1.93 -2.12 114.38 108.68 2vak h ARG 32 Ca -0.05 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.92 2vak h ARG 32 Cb 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2vak h ARG 32 CO 0.08 0.37 -0.60 1.15 -1.51 0.00 0.00 179.97 179.46 2vak h THR 33 N 0.00 1.28 0.14 0.20 2.02 -1.97 -0.46 112.91 114.12 2vak h THR 33 Ca -0.00 -1.79 -0.01 0.00 0.77 0.00 0.00 66.41 65.38 2vak h THR 33 Cb 1.19 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 2vak h THR 33 CO 0.05 0.58 -0.07 -0.61 0.37 0.00 0.00 175.52 175.84 2vak h GLN 34 N 0.63 -0.18 -0.55 6.66 4.15 -1.95 -2.59 115.11 121.27 2vak h GLN 34 Ca -0.00 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.51 2vak h GLN 34 Cb 1.21 0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.88 2vak h GLN 34 CO 0.13 0.26 0.19 -0.07 -1.93 0.00 0.00 178.83 177.42 2vak h LEU 35 N -0.75 0.18 -0.95 -2.39 3.38 -1.46 -1.37 115.31 111.96 2vak h LEU 35 Ca -0.02 0.07 0.20 0.00 0.09 0.00 0.00 57.88 58.22 2vak h LEU 35 Cb 0.53 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.23 2vak h LEU 35 CO 0.03 0.12 0.52 0.28 0.09 0.00 0.00 178.44 179.49 2vak h SER 36 N 0.37 0.61 0.48 -0.43 0.02 -1.12 -1.75 113.55 111.74 2vak h SER 36 Ca 0.27 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.33 2vak h SER 36 Cb 0.32 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 2vak h SER 36 CO -0.28 0.17 -0.06 0.77 -1.14 0.00 0.00 176.83 176.29 2vak h SER 37 N 0.62 0.00 1.18 3.07 4.64 -0.83 -2.75 113.55 119.48 2vak h SER 37 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 2vak h SER 37 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2vak h SER 37 CO -0.43 0.06 -0.27 0.18 -0.87 0.00 0.00 176.83 175.50 2vak n LEU 38 N -3.33 0.72 -4.80 5.97 4.77 -0.66 -4.95 117.00 114.73 2vak n LEU 38 Ca -0.01 0.41 -0.30 0.00 -0.03 0.00 0.00 56.01 56.08 2vak n LEU 38 Cb 0.22 -0.27 0.09 0.00 -2.33 0.00 0.00 43.42 41.13 2vak n LEU 38 CO 0.27 -0.11 0.71 -0.76 -1.33 0.00 0.00 177.39 176.16 2vak s LEU 39 N -4.29 2.63 0.45 2.23 1.43 -1.04 -4.90 118.68 115.19 2vak s LEU 39 Ca 0.09 1.36 -0.02 0.00 -1.03 0.00 0.00 54.13 54.54 2vak s LEU 39 Cb 0.13 -3.99 -0.02 0.00 0.03 0.00 0.00 46.19 42.35 2vak s LEU 39 CO 0.65 -1.97 0.70 -0.94 0.23 0.00 0.00 176.35 175.01 2vak s SER 40 N -3.84 6.02 0.41 2.29 1.04 -0.91 -4.88 113.70 113.83 2vak s SER 40 Ca 0.61 0.54 0.31 0.00 0.48 0.00 0.00 55.95 57.88 2vak s SER 40 Cb -0.15 -1.86 1.40 0.00 0.10 0.00 0.00 66.02 65.52 2vak s SER 40 CO 0.55 -0.61 1.46 -1.54 0.98 0.00 0.00 173.24 174.07 2vak n SER 41 N -2.11 0.19 -1.09 7.02 3.41 -1.26 0.94 113.62 120.72 2vak n SER 41 Ca -0.00 1.28 0.07 0.00 -0.26 0.00 0.00 58.87 59.95 2vak n SER 41 Cb 0.57 -0.63 0.23 0.00 -0.26 0.00 0.00 64.21 64.12 2vak n SER 41 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2vak n SER 42 N -4.55 3.15 -0.29 4.04 3.41 -1.26 -4.93 113.62 113.20 2vak n SER 42 Ca 0.38 -2.23 -0.04 0.00 -0.26 0.00 0.00 58.87 56.72 2vak n SER 42 Cb 1.48 -0.44 -0.02 0.00 -0.26 0.00 0.00 64.21 64.98 2vak n SER 42 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2vak n ASN 43 N 0.72 -3.60 -4.69 4.04 3.02 0.27 -4.80 115.26 110.21 2vak n ASN 43 Ca 0.17 0.09 -0.38 0.00 -0.03 0.00 0.00 54.58 54.43 2vak n ASN 43 Cb 0.58 -1.44 -0.06 0.00 -0.61 0.00 0.00 39.78 38.25 2vak n ASN 43 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2vak s SER 44 N -2.75 6.62 0.00 6.41 0.15 -1.25 0.04 113.70 122.91 2vak s SER 44 Ca 0.00 0.75 0.28 0.00 0.70 0.00 0.00 55.95 57.68 2vak s SER 44 Cb 0.00 -2.29 1.13 0.00 -1.71 0.00 0.00 66.02 63.16 2vak s SER 44 CO 0.00 -0.08 1.80 -0.81 1.20 0.00 0.00 173.24 175.35 2vak n PRO 45 N 4.20 0.79 -0.00 5.44 -0.04 -1.26 -2.13 135.00 141.99 2vak n PRO 45 Ca -0.06 -0.33 0.08 0.00 -0.04 0.00 0.00 63.50 63.16 2vak n PRO 45 Cb 0.51 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 2vak n PRO 45 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2vak n TRP 46 N -0.82 0.00 0.00 0.54 7.02 -1.26 -5.03 117.44 117.89 2vak n TRP 46 Ca 0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.63 2vak n TRP 46 Cb 0.29 -0.13 0.00 0.00 -2.42 0.00 0.00 31.31 29.05 2vak n TRP 46 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 2vak n GLN 47 N -1.63 0.00 -2.22 -0.99 6.02 -1.26 -5.06 117.38 112.24 2vak n GLN 47 Ca 0.01 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.68 2vak n GLN 47 Cb 0.33 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.54 2vak n GLN 47 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2vak s ILE 61 N 0.00 3.65 -1.03 5.09 1.09 -1.26 -4.97 121.20 123.78 2vak s ILE 61 Ca 0.00 -0.80 -0.07 0.00 -1.10 0.00 0.00 60.65 58.67 2vak s ILE 61 Cb 0.00 -4.52 -0.08 0.00 -1.06 0.00 0.00 42.46 36.80 2vak s ILE 61 CO 0.00 -1.29 3.01 0.55 -0.10 0.00 0.00 174.94 177.12 2vak n VAL 62 N 7.48 4.05 -1.57 2.92 3.14 -1.26 -4.94 118.33 128.15 2vak n VAL 62 Ca 0.41 -2.67 -0.37 0.00 -2.96 0.00 0.00 64.34 58.76 2vak n VAL 62 Cb 0.47 -2.25 0.07 0.00 -1.06 0.00 0.00 33.84 31.07 2vak n VAL 62 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2vak n SER 63 N 2.68 0.90 -4.09 6.55 2.88 -1.26 -5.00 113.62 116.27 2vak n SER 63 Ca 0.63 0.77 -0.07 0.00 -1.33 0.00 0.00 58.87 58.87 2vak n SER 63 Cb 0.45 -1.42 -0.10 0.00 -0.75 0.00 0.00 64.21 62.38 2vak n SER 63 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2vak s THR 64 N -1.58 0.20 0.22 2.46 -1.32 -0.96 -4.99 115.64 109.68 2vak s THR 64 Ca 0.77 -1.81 -0.08 0.00 -1.21 0.00 0.00 61.69 59.36 2vak s THR 64 Cb -0.39 -1.59 0.19 0.00 -1.51 0.00 0.00 72.50 69.20 2vak s THR 64 CO 0.46 -0.92 1.84 -0.65 -2.21 0.00 0.00 174.62 173.14 2vak h PRO 65 N 3.10 1.19 -0.44 7.08 0.11 -1.98 -1.32 132.00 139.75 2vak h PRO 65 Ca -0.34 -0.15 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 2vak h PRO 65 Cb 1.15 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 2vak h PRO 65 CO 0.65 0.89 -0.13 1.05 -0.21 0.00 0.00 178.00 180.24 2vak h GLU 66 N 1.19 0.82 -2.70 1.05 9.09 -2.00 -3.35 114.58 118.68 2vak h GLU 66 Ca 0.30 -0.29 -0.61 0.00 0.05 0.00 0.00 59.36 58.81 2vak h GLU 66 Cb 0.05 -0.06 -0.41 0.00 -1.65 0.00 0.00 28.75 26.69 2vak h GLU 66 CO -0.05 0.91 -0.73 0.00 0.05 0.00 0.00 179.01 179.19 2vak n ALA 67 N -2.49 3.27 -0.34 1.06 0.00 -1.17 -4.78 120.51 116.05 2vak n ALA 67 Ca 0.01 -4.07 0.15 0.00 0.00 0.00 0.00 53.44 49.54 2vak n ALA 67 Cb 0.39 -0.92 0.37 0.00 0.00 0.00 0.00 19.45 19.28 2vak n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2vak h PRO 68 N 5.23 0.65 -6.01 0.00 0.13 -1.38 -2.55 132.00 128.06 2vak h PRO 68 Ca 0.19 -0.04 -0.57 0.00 -0.87 0.00 0.00 66.00 64.71 2vak h PRO 68 Cb 0.80 -0.15 -0.14 0.00 0.13 0.00 0.00 31.00 31.64 2vak h PRO 68 CO 0.61 0.43 -0.74 0.71 -0.23 0.00 0.00 178.00 178.78 2vak s TYR 69 N -5.77 2.16 0.27 1.56 1.51 -1.26 -4.31 117.35 111.51 2vak s TYR 69 Ca -0.11 -0.42 -0.01 0.00 -1.01 0.00 0.00 57.07 55.53 2vak s TYR 69 Cb 0.25 -0.99 0.50 0.00 -0.11 0.00 0.00 41.96 41.61 2vak s TYR 69 CO 0.80 0.61 1.82 -1.35 -1.11 0.00 0.00 175.55 176.32 2vak h PRO 70 N 2.31 0.86 0.00 -1.71 0.11 -1.84 -1.84 132.00 129.90 2vak h PRO 70 Ca -0.40 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2vak h PRO 70 Cb 1.25 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2vak h PRO 70 CO 0.62 0.57 0.00 0.41 -0.21 0.00 0.00 178.00 179.39 2vak n GLY 71 N -1.34 -0.72 0.15 -0.55 0.00 -0.31 -3.19 105.19 99.24 2vak n GLY 71 Ca 0.17 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 2vak n GLY 71 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2vak h SER 72 N 0.00 0.49 -0.28 1.61 0.02 -1.57 -3.10 113.55 110.73 2vak h SER 72 Ca 0.00 -0.54 -0.04 0.00 -0.84 0.00 0.00 61.79 60.36 2vak h SER 72 Cb 0.10 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2vak h SER 72 CO 0.00 0.94 0.05 -0.07 -1.14 0.00 0.00 176.83 176.61 2vak h LEU 73 N 0.06 0.53 0.23 5.07 3.38 -1.70 0.48 115.31 123.35 2vak h LEU 73 Ca 0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2vak h LEU 73 Cb 0.85 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2vak h LEU 73 CO 0.06 0.56 -0.15 -0.03 0.09 0.00 0.00 178.44 178.98 2vak h MET 74 N 0.55 -0.36 -0.12 1.13 4.05 -1.71 -0.04 114.93 118.43 2vak h MET 74 Ca 0.12 0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.56 2vak h MET 74 Cb 0.28 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 2vak h MET 74 CO 0.00 -0.24 0.07 -0.92 0.23 0.00 0.00 176.91 176.05 2vak h TYR 75 N -0.37 0.16 0.00 1.39 3.20 -1.42 -2.56 116.97 117.37 2vak h TYR 75 Ca -0.02 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 2vak h TYR 75 Cb 0.31 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 2vak h TYR 75 CO -0.10 0.18 -0.21 1.96 -1.64 0.00 0.00 178.16 178.36 2vak h GLN 76 N 0.10 0.00 0.00 1.82 4.20 -0.79 -1.78 115.11 118.66 2vak h GLN 76 Ca 0.04 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.62 2vak h GLN 76 Cb 0.07 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 2vak h GLN 76 CO -0.01 0.21 -0.63 0.93 -0.67 0.00 0.00 178.83 178.67 2vak h GLU 77 N 0.00 0.00 -0.34 1.46 5.08 -0.93 -1.93 114.58 117.92 2vak h GLU 77 Ca -0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 2vak h GLU 77 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2vak h GLU 77 CO 0.03 0.63 -0.33 0.66 -1.00 0.00 0.00 179.01 179.00 2vak h SER 78 N 0.00 0.77 -0.40 1.42 4.64 -0.91 -1.36 113.55 117.72 2vak h SER 78 Ca -0.01 -0.32 -0.09 0.00 -0.47 0.00 0.00 61.79 60.91 2vak h SER 78 Cb 1.32 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 2vak h SER 78 CO 0.08 1.04 -0.06 0.24 -0.87 0.00 0.00 176.83 177.25 2vak h MET 79 N 0.62 0.83 -0.51 4.77 2.86 -1.35 -2.12 114.93 120.03 2vak h MET 79 Ca 0.07 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 2vak h MET 79 Cb 0.85 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.41 2vak h MET 79 CO 0.07 0.87 0.25 1.25 1.06 0.00 0.00 176.91 180.42 2vak h LEU 80 N 0.76 0.65 -0.27 1.22 5.85 -1.04 -0.30 115.31 122.18 2vak h LEU 80 Ca 0.13 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2vak h LEU 80 Cb 0.55 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2vak h LEU 80 CO 0.03 0.59 0.13 0.45 -0.34 0.00 0.00 178.44 179.30 2vak h HIS 81 N 0.67 0.39 -0.37 1.25 3.86 -1.27 -2.33 115.15 117.35 2vak h HIS 81 Ca 0.18 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 2vak h HIS 81 Cb 0.10 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 2vak h HIS 81 CO -0.01 0.37 0.09 0.77 0.86 0.00 0.00 177.93 180.00 2vak h SER 82 N 0.30 0.50 -0.21 2.45 0.02 -1.20 -1.07 113.55 114.33 2vak h SER 82 Ca 0.09 -0.07 -0.15 0.00 -0.84 0.00 0.00 61.79 60.82 2vak h SER 82 Cb 0.12 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2vak h SER 82 CO -0.01 0.51 -0.47 0.00 -1.14 0.00 0.00 176.83 175.72 2vak h ALA 83 N 1.57 0.35 0.00 3.77 0.00 -1.00 -3.41 119.26 120.53 2vak h ALA 83 Ca 0.12 -0.48 -0.35 0.00 0.00 0.00 0.00 54.91 54.21 2vak h ALA 83 Cb 0.21 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 2vak h ALA 83 CO -0.00 0.50 -2.30 0.25 0.00 0.00 0.00 179.25 177.69 2vak n THR 84 N -4.16 1.31 -0.08 0.00 -2.24 -0.88 -4.65 114.28 103.57 2vak n THR 84 Ca -0.06 -0.66 -0.13 0.00 -2.27 0.00 0.00 64.05 60.93 2vak n THR 84 Cb 0.58 -0.88 -0.08 0.00 -2.10 0.00 0.00 70.33 67.84 2vak n THR 84 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2vak h VAL 85 N 0.00 0.81 -0.02 2.28 2.07 -1.42 -3.38 116.25 116.59 2vak h VAL 85 Ca -0.51 -1.79 0.01 0.00 0.82 0.00 0.00 66.70 65.22 2vak h VAL 85 Cb 1.99 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 33.48 2vak h VAL 85 CO -0.02 0.28 0.05 -0.65 0.02 0.00 0.00 177.57 177.25 2vak h PRO 86 N -1.00 0.00 0.00 1.57 0.11 -1.79 -2.17 132.00 128.72 2vak h PRO 86 Ca -0.13 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 2vak h PRO 86 Cb 0.85 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 2vak h PRO 86 CO -0.08 0.00 -0.23 0.78 -0.21 0.00 0.00 178.00 178.27 2vak h GLY 87 N 0.00 0.00 -0.69 -0.55 0.00 -1.83 -3.32 103.07 96.68 2vak h GLY 87 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2vak h GLY 87 CO -0.00 0.00 -0.30 3.33 0.00 0.00 0.00 176.54 179.57 2vak n VAL 88 N -3.01 0.00 0.28 4.60 0.24 -0.82 -4.42 118.33 115.21 2vak n VAL 88 Ca 0.03 -0.25 0.08 0.00 -2.04 0.00 0.00 64.34 62.16 2vak n VAL 88 Cb 0.54 0.95 0.38 0.00 -1.47 0.00 0.00 33.84 34.24 2vak n VAL 88 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2vak n LEU 89 N -0.01 0.36 -0.17 1.34 4.77 -1.23 -3.11 117.00 118.94 2vak n LEU 89 Ca 0.12 0.62 0.01 0.00 -0.03 0.00 0.00 56.01 56.73 2vak n LEU 89 Cb 0.44 -0.61 0.27 0.00 -2.33 0.00 0.00 43.42 41.19 2vak n LEU 89 CO 0.25 -0.58 1.20 1.23 -1.33 0.00 0.00 177.39 178.16 2vak h GLY 90 N 1.30 0.95 0.00 -0.72 0.00 -1.85 -3.36 103.07 99.39 2vak h GLY 90 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2vak h GLY 90 CO 0.00 0.36 0.00 -1.14 0.00 0.00 0.00 176.54 175.76 2vak n SER 91 N -4.42 0.00 0.28 0.19 3.41 -1.18 -4.99 113.62 106.92 2vak n SER 91 Ca 0.07 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.81 2vak n SER 91 Cb 0.06 0.00 0.82 0.00 -0.26 0.00 0.00 64.21 64.83 2vak n SER 91 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2vak h ARG 92 N 0.00 0.00 -0.01 4.33 3.08 -1.91 -2.98 114.38 116.89 2vak h ARG 92 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2vak h ARG 92 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2vak h ARG 92 CO 0.00 0.01 -0.11 -0.25 -1.07 0.00 0.00 179.97 178.56 2vak n ASP 93 N -4.02 1.53 -0.37 7.04 8.00 -1.26 -4.64 116.55 122.84 2vak n ASP 93 Ca -0.03 -1.27 0.30 0.00 0.71 0.00 0.00 54.79 54.50 2vak n ASP 93 Cb 0.10 0.24 0.56 0.00 -0.02 0.00 0.00 41.12 42.00 2vak n ASP 93 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vak h ALA 94 N 1.90 2.28 0.00 2.24 0.00 -1.81 -1.33 119.26 122.54 2vak h ALA 94 Ca 0.00 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2vak h ALA 94 Cb 0.39 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2vak h ALA 94 CO 0.00 -0.92 -0.31 0.11 0.00 0.00 0.00 179.25 178.13 2vak h TRP 95 N 0.19 0.00 0.08 0.00 5.08 -1.82 -1.70 115.95 117.77 2vak h TRP 95 Ca 0.78 0.00 0.02 0.00 1.08 0.00 0.00 58.89 60.77 2vak h TRP 95 Cb 2.08 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 28.20 2vak h TRP 95 CO -0.01 0.31 -0.22 0.00 -1.28 0.00 0.00 178.44 177.24 2vak h ARG 96 N 0.00 -0.38 -0.02 0.12 3.08 -1.57 -3.24 114.38 112.37 2vak h ARG 96 Ca -0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2vak h ARG 96 Cb 0.64 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2vak h ARG 96 CO 0.04 -0.25 -0.25 0.25 -1.07 0.00 0.00 179.97 178.69 2vak n THR 97 N -5.34 0.00 -2.06 2.04 -2.24 -1.23 -5.00 114.28 100.45 2vak n THR 97 Ca -0.06 -0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 60.93 2vak n THR 97 Cb 0.26 1.30 -0.02 0.00 -2.10 0.00 0.00 70.33 69.77 2vak n THR 97 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2vak s PHE 98 N -2.01 3.06 -0.07 4.78 5.36 -0.64 -3.73 117.98 124.74 2vak s PHE 98 Ca 0.19 1.14 -0.14 0.00 -0.96 0.00 0.00 56.93 57.16 2vak s PHE 98 Cb 0.16 -3.76 0.03 0.00 -0.34 0.00 0.00 43.02 39.11 2vak s PHE 98 CO 0.40 -2.37 0.33 0.54 -1.46 0.00 0.00 175.22 172.66 2vak s ASN 99 N 0.18 -0.27 -0.11 6.13 2.20 -1.26 -4.40 114.94 117.40 2vak s ASN 99 Ca 0.57 0.37 -0.09 0.00 -0.94 0.00 0.00 52.86 52.76 2vak s ASN 99 Cb -0.41 0.49 0.03 0.00 -2.00 0.00 0.00 41.25 39.37 2vak s ASN 99 CO 0.45 -0.31 0.28 0.54 -2.94 0.00 0.00 177.10 175.12 2vak s VAL 100 N -0.66 -0.00 -0.64 3.54 0.11 -0.12 0.32 120.40 122.95 2vak s VAL 100 Ca -0.08 0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 58.95 2vak s VAL 100 Cb -0.04 -0.40 0.03 0.00 -1.53 0.00 0.00 36.38 34.44 2vak s VAL 100 CO 0.03 0.01 0.13 0.49 -3.33 0.00 0.00 175.10 172.43 2vak n PHE 101 N 3.10 -1.74 -1.12 1.54 3.72 -1.26 0.36 117.46 122.05 2vak n PHE 101 Ca -0.14 0.14 -0.01 0.00 -0.05 0.00 0.00 57.45 57.39 2vak n PHE 101 Cb 0.57 -1.80 -0.00 0.00 -0.94 0.00 0.00 39.48 37.31 2vak n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2vak n GLY 102 N -0.73 0.42 3.29 1.37 0.00 -1.26 -4.33 105.19 103.95 2vak n GLY 102 Ca -0.03 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.73 2vak n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vak s LEU 103 N -0.14 2.36 0.03 0.99 1.43 0.16 -0.82 118.68 122.69 2vak s LEU 103 Ca 0.00 -0.76 -0.00 0.00 -1.03 0.00 0.00 54.13 52.34 2vak s LEU 103 Cb 0.00 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.39 2vak s LEU 103 CO 0.00 -0.01 -0.03 -0.44 0.23 0.00 0.00 176.35 176.10 2vak s SER 104 N -2.23 0.36 0.43 2.29 0.01 -0.36 -0.95 113.70 113.25 2vak s SER 104 Ca 0.09 -0.74 -0.16 0.00 1.31 0.00 0.00 55.95 56.46 2vak s SER 104 Cb -0.08 0.15 -0.09 0.00 0.21 0.00 0.00 66.02 66.21 2vak s SER 104 CO 0.05 -0.44 0.87 0.26 0.41 0.00 0.00 173.24 174.39 2vak s TRP 105 N -2.63 3.40 -0.09 2.43 0.52 -1.26 -1.43 118.94 119.89 2vak s TRP 105 Ca -0.05 1.35 0.14 0.00 0.02 0.00 0.00 56.10 57.56 2vak s TRP 105 Cb -0.01 -2.67 -0.12 0.00 -1.15 0.00 0.00 33.47 29.52 2vak s TRP 105 CO -0.05 -0.14 1.00 1.79 0.02 0.00 0.00 176.95 179.56 2vak h THR 106 N 1.43 0.80 -2.99 2.01 1.35 -1.74 -3.46 112.91 110.30 2vak h THR 106 Ca -0.48 -2.35 0.02 0.00 -0.55 0.00 0.00 66.41 63.06 2vak h THR 106 Cb 1.18 2.29 -0.09 0.00 -1.73 0.00 0.00 68.15 69.80 2vak h THR 106 CO 0.63 0.45 0.22 1.51 -0.25 0.00 0.00 175.52 178.09 2vak s ASP 107 N -6.11 -0.42 0.58 5.36 1.47 -1.26 -5.02 116.67 111.27 2vak s ASP 107 Ca -0.01 -0.28 0.28 0.00 1.18 0.00 0.00 52.55 53.72 2vak s ASP 107 Cb 0.08 0.66 1.62 0.00 -0.34 0.00 0.00 42.92 44.94 2vak s ASP 107 CO 0.80 -1.14 2.11 -0.08 0.68 0.00 0.00 175.17 177.54 2vak h GLU 108 N 2.00 0.00 -0.00 2.11 4.81 -1.94 0.11 114.58 121.67 2vak h GLU 108 Ca -0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2vak h GLU 108 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2vak h GLU 108 CO 0.31 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.00 2vak n GLY 109 N -1.43 -0.98 3.63 1.92 0.00 -1.26 -4.93 105.19 102.14 2vak n GLY 109 Ca 0.02 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 2vak n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2vak n LEU 110 N -0.98 -3.37 -0.01 0.99 4.77 0.39 -4.91 117.00 113.89 2vak n LEU 110 Ca 0.24 -0.79 -0.18 0.00 -0.03 0.00 0.00 56.01 55.25 2vak n LEU 110 Cb 0.11 -2.75 -0.08 0.00 -2.33 0.00 0.00 43.42 38.37 2vak n LEU 110 CO 0.18 0.39 0.23 0.28 -1.33 0.00 0.00 177.39 177.14 2vak h SER 111 N -1.84 0.89 -5.14 -1.43 0.02 -1.92 -3.47 113.55 100.66 2vak h SER 111 Ca -0.61 -0.66 -0.08 0.00 -0.84 0.00 0.00 61.79 59.60 2vak h SER 111 Cb 1.35 -0.27 -0.14 0.00 0.14 0.00 0.00 62.40 63.49 2vak h SER 111 CO 0.54 1.42 -0.28 -0.83 -1.14 0.00 0.00 176.83 176.54 2vak s GLY 112 N -4.13 0.02 -0.19 -3.77 0.00 -1.26 -4.32 107.32 93.66 2vak s GLY 112 Ca -0.11 -0.48 -0.00 0.00 0.00 0.00 0.00 44.72 44.13 2vak s GLY 112 CO 0.90 -0.66 -0.15 1.08 0.00 0.00 0.00 173.10 174.26 2vak s LEU 113 N -2.85 2.39 0.41 0.66 1.43 0.11 -2.00 118.68 118.82 2vak s LEU 113 Ca 0.05 -0.56 0.05 0.00 -1.03 0.00 0.00 54.13 52.64 2vak s LEU 113 Cb 0.04 -1.56 -0.06 0.00 0.03 0.00 0.00 46.19 44.64 2vak s LEU 113 CO -0.10 0.00 0.03 0.68 0.23 0.00 0.00 176.35 177.19 2vak s VAL 114 N 1.29 1.45 0.28 -1.59 -7.23 -0.51 -4.78 120.40 109.32 2vak s VAL 114 Ca 0.04 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.91 2vak s VAL 114 Cb -0.14 -2.70 -0.13 0.00 0.56 0.00 0.00 36.38 33.98 2vak s VAL 114 CO -0.09 0.00 1.37 0.00 -0.31 0.00 0.00 175.10 176.08 2vak n ALA 115 N -0.95 1.27 -1.75 1.32 0.00 -1.26 -1.22 120.51 117.92 2vak n ALA 115 Ca -0.07 0.39 -0.29 0.00 0.00 0.00 0.00 53.44 53.46 2vak n ALA 115 Cb 0.67 -2.28 0.13 0.00 0.00 0.00 0.00 19.45 17.97 2vak n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vak s ALA 116 N -0.45 2.20 0.43 0.00 0.00 -0.00 -4.54 121.76 119.40 2vak s ALA 116 Ca 0.63 -0.73 -0.23 0.00 0.00 0.00 0.00 51.96 51.63 2vak s ALA 116 Cb -0.61 -2.94 -0.08 0.00 0.00 0.00 0.00 23.12 19.49 2vak s ALA 116 CO 0.54 -2.10 1.09 -0.65 0.00 0.00 0.00 175.76 174.64 2vak s GLN 117 N -5.54 3.96 -0.04 0.00 -1.52 -1.26 -4.95 119.66 110.32 2vak s GLN 117 Ca 0.65 1.60 0.01 0.00 -1.95 0.00 0.00 55.36 55.67 2vak s GLN 117 Cb -0.11 -2.44 0.02 0.00 -0.22 0.00 0.00 33.01 30.27 2vak s GLN 117 CO 0.51 -0.34 -0.02 0.16 -0.25 0.00 0.00 175.29 175.36 2vak s ASP 118 N -1.53 0.63 0.61 5.90 -4.77 -1.26 -2.20 116.67 114.05 2vak s ASP 118 Ca 0.61 -0.06 -0.19 0.00 -3.30 0.00 0.00 52.55 49.60 2vak s ASP 118 Cb -0.24 -0.31 -0.02 0.00 -1.09 0.00 0.00 42.92 41.26 2vak s ASP 118 CO 0.29 -0.08 1.31 -2.16 0.70 0.00 0.00 175.17 175.23 2vak s PRO 119 N 0.99 2.76 1.08 2.11 0.04 -1.26 -5.14 135.00 135.57 2vak s PRO 119 Ca -0.10 2.11 -0.15 0.00 0.04 0.00 0.00 61.00 62.90 2vak s PRO 119 Cb -0.14 -1.98 0.23 0.00 0.04 0.00 0.00 34.50 32.65 2vak s PRO 119 CO -0.01 -1.45 1.11 -1.25 0.04 0.00 0.00 177.00 175.44 2vak s PRO 120 N -3.23 -0.24 -0.01 0.56 0.04 -0.94 -5.00 135.00 126.18 2vak s PRO 120 Ca 0.79 0.20 -0.23 0.00 0.04 0.00 0.00 61.00 61.80 2vak s PRO 120 Cb -0.38 -1.69 -0.16 0.00 0.04 0.00 0.00 34.50 32.31 2vak s PRO 120 CO 0.42 -3.11 1.08 -1.35 0.04 0.00 0.00 177.00 174.08 2vak h PRO 121 N -2.16 -0.38 -6.19 0.56 0.11 -1.83 -3.46 132.00 118.65 2vak h PRO 121 Ca -0.50 0.03 -0.49 0.00 0.11 0.00 0.00 66.00 65.15 2vak h PRO 121 Cb 1.31 0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.48 2vak h PRO 121 CO 0.48 -0.04 -0.38 0.00 -0.21 0.00 0.00 178.00 177.85 2vak s ALA 122 N -4.44 4.07 0.33 -0.75 0.00 -1.24 -5.09 121.76 114.63 2vak s ALA 122 Ca -0.13 -1.84 -0.29 0.00 0.00 0.00 0.00 51.96 49.69 2vak s ALA 122 Cb 0.02 -1.08 -0.11 0.00 0.00 0.00 0.00 23.12 21.95 2vak s ALA 122 CO 0.50 -0.20 1.55 0.00 0.00 0.00 0.00 175.76 177.61 2vak n ALA 123 N -1.55 2.47 -1.70 0.00 0.00 -1.26 -4.88 120.51 113.59 2vak n ALA 123 Ca 0.03 0.36 -0.40 0.00 0.00 0.00 0.00 53.44 53.44 2vak n ALA 123 Cb 0.61 -2.44 0.03 0.00 0.00 0.00 0.00 19.45 17.65 2vak n ALA 123 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2vak n PRO 124 N 1.49 1.69 -2.03 0.00 -0.02 -1.26 -4.79 135.00 130.08 2vak n PRO 124 Ca 0.06 0.61 -0.39 0.00 -2.02 0.00 0.00 63.50 61.76 2vak n PRO 124 Cb 0.37 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 2vak n PRO 124 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2vak s TYR 125 N -1.28 2.75 -0.42 6.00 5.04 0.15 -4.99 117.35 124.60 2vak s TYR 125 Ca 0.67 1.41 -0.10 0.00 -2.44 0.00 0.00 57.07 56.61 2vak s TYR 125 Cb -0.46 -3.67 0.08 0.00 0.35 0.00 0.00 41.96 38.26 2vak s TYR 125 CO 0.53 -2.16 0.27 -0.65 -1.34 0.00 0.00 175.55 172.20 2vak s GLN 126 N -2.37 2.65 0.38 4.97 -1.52 -1.26 -4.72 119.66 117.79 2vak s GLN 126 Ca 0.59 -1.43 -0.24 0.00 -1.95 0.00 0.00 55.36 52.33 2vak s GLN 126 Cb -0.38 -3.81 -0.13 0.00 -0.22 0.00 0.00 33.01 28.47 2vak s GLN 126 CO 0.48 -0.95 0.57 -2.30 -0.25 0.00 0.00 175.29 172.84 2vak n PRO 127 N 4.95 0.57 -4.21 2.91 -0.02 -1.26 -5.00 135.00 132.94 2vak n PRO 127 Ca -0.10 0.21 -0.33 0.00 -2.02 0.00 0.00 63.50 61.25 2vak n PRO 127 Cb 0.43 -1.46 -0.08 0.00 -0.02 0.00 0.00 33.50 32.37 2vak n PRO 127 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vak s ALA 128 N -1.38 3.44 -0.05 3.55 0.00 -1.26 -4.92 121.76 121.14 2vak s ALA 128 Ca 0.62 -0.88 -0.28 0.00 0.00 0.00 0.00 51.96 51.43 2vak s ALA 128 Cb -0.66 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 2vak s ALA 128 CO 0.58 0.65 0.91 0.45 0.00 0.00 0.00 175.76 178.35 2vak s SER 129 N -1.48 7.22 -1.00 0.00 0.15 -1.26 -4.41 113.70 112.92 2vak s SER 129 Ca 0.20 1.48 -0.15 0.00 0.70 0.00 0.00 55.95 58.18 2vak s SER 129 Cb -0.12 -2.52 0.01 0.00 -1.71 0.00 0.00 66.02 61.68 2vak s SER 129 CO 0.10 -0.27 0.68 0.00 1.20 0.00 0.00 173.24 174.95 2vak n ALA 130 N 4.17 -2.67 -2.74 5.45 0.00 -1.07 -4.87 120.51 118.79 2vak n ALA 130 Ca 0.05 -0.32 -0.17 0.00 0.00 0.00 0.00 53.44 52.99 2vak n ALA 130 Cb 0.50 -2.12 -0.13 0.00 0.00 0.00 0.00 19.45 17.71 2vak n ALA 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2vak s GLN 131 N -5.67 0.70 0.05 0.00 2.00 -1.25 -4.85 119.66 110.65 2vak s GLN 131 Ca 0.25 -0.63 -0.09 0.00 -2.00 0.00 0.00 55.36 52.89 2vak s GLN 131 Cb -0.12 -0.63 -0.05 0.00 0.80 0.00 0.00 33.01 33.01 2vak s GLN 131 CO 0.89 0.15 0.36 -1.58 -0.50 0.00 0.00 175.29 174.61 2vak s TRP 132 N -0.85 3.59 -0.02 1.67 0.52 -1.26 -0.37 118.94 122.22 2vak s TRP 132 Ca -0.02 0.72 0.03 0.00 0.02 0.00 0.00 56.10 56.85 2vak s TRP 132 Cb -0.07 -2.11 -0.00 0.00 -1.15 0.00 0.00 33.47 30.14 2vak s TRP 132 CO 0.01 0.55 -0.09 -1.12 0.02 0.00 0.00 176.95 176.33 2vak s SER 133 N -1.72 1.08 -0.44 2.95 0.01 0.90 -4.96 113.70 111.53 2vak s SER 133 Ca 0.31 -0.17 -0.20 0.00 1.31 0.00 0.00 55.95 57.20 2vak s SER 133 Cb -0.14 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 65.91 2vak s SER 133 CO 0.17 0.08 0.62 -0.62 0.41 0.00 0.00 173.24 173.91 2vak s ASP 134 N 0.00 6.31 0.14 2.44 -1.08 -1.26 -0.54 116.67 122.69 2vak s ASP 134 Ca 0.00 -0.37 0.25 0.00 -0.52 0.00 0.00 52.55 51.91 2vak s ASP 134 Cb -0.06 -2.31 0.93 0.00 -1.46 0.00 0.00 42.92 40.02 2vak s ASP 134 CO -0.00 -0.76 1.76 0.18 0.52 0.00 0.00 175.17 176.87 2vak n LEU 135 N 6.20 0.48 0.00 -1.34 4.77 -0.33 -1.53 117.00 125.24 2vak n LEU 135 Ca -0.02 0.57 0.14 0.00 -0.03 0.00 0.00 56.01 56.66 2vak n LEU 135 Cb 0.48 -0.44 0.69 0.00 -2.33 0.00 0.00 43.42 41.81 2vak n LEU 135 CO 0.53 -0.23 0.97 0.18 -1.33 0.00 0.00 177.39 177.51 2vak n LEU 136 N -1.97 0.00 0.06 2.23 4.77 -1.26 -2.70 117.00 118.14 2vak n LEU 136 Ca 0.05 0.30 0.09 0.00 -0.03 0.00 0.00 56.01 56.42 2vak n LEU 136 Cb 0.33 -0.30 0.37 0.00 -2.33 0.00 0.00 43.42 41.49 2vak n LEU 136 CO 0.25 -0.02 0.77 0.59 -1.33 0.00 0.00 177.39 177.64 2vak n ASN 137 N -1.30 0.30 -4.61 -1.43 3.02 -0.58 -4.40 115.26 106.26 2vak n ASN 137 Ca 0.13 0.58 -0.43 0.00 -0.03 0.00 0.00 54.58 54.83 2vak n ASN 137 Cb 0.23 -0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 38.73 2vak n ASN 137 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2vak s TYR 138 N -3.17 3.04 0.22 3.10 5.04 -1.10 -4.76 117.35 119.73 2vak s TYR 138 Ca 0.05 0.88 -0.07 0.00 -2.44 0.00 0.00 57.07 55.48 2vak s TYR 138 Cb 0.08 -3.84 0.30 0.00 0.35 0.00 0.00 41.96 38.86 2vak s TYR 138 CO 0.29 -0.91 1.81 -1.35 -1.34 0.00 0.00 175.55 174.05 2vak h PRO 139 N 8.53 0.72 -0.71 4.97 0.11 -1.85 -0.30 132.00 143.47 2vak h PRO 139 Ca -0.22 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.91 2vak h PRO 139 Cb 1.07 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 31.96 2vak h PRO 139 CO 1.03 0.48 0.40 -0.09 -0.21 0.00 0.00 178.00 179.61 2vak h ARG 140 N 0.74 0.70 0.00 1.05 2.43 -1.93 -1.88 114.38 115.50 2vak h ARG 140 Ca 0.34 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.37 2vak h ARG 140 Cb 0.25 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2vak h ARG 140 CO -0.21 0.46 -0.45 -1.49 -1.51 0.00 0.00 179.97 176.78 2vak h TRP 141 N 0.72 0.00 -0.41 2.20 6.55 -1.36 0.34 115.95 123.99 2vak h TRP 141 Ca 0.32 0.00 -0.09 0.00 0.95 0.00 0.00 58.89 60.08 2vak h TRP 141 Cb 0.22 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.51 2vak h TRP 141 CO -0.07 0.45 -0.11 0.00 -1.05 0.00 0.00 178.44 177.66 2vak h ALA 142 N 1.55 1.04 0.04 1.49 0.00 -0.72 -3.28 119.26 119.39 2vak h ALA 142 Ca -0.00 -0.31 -0.32 0.00 0.00 0.00 0.00 54.91 54.28 2vak h ALA 142 Cb 0.92 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2vak h ALA 142 CO 0.06 0.59 -1.77 0.09 0.00 0.00 0.00 179.25 178.21 2vak n ASN 143 N -4.17 1.97 -4.29 0.00 5.03 -0.75 -4.52 115.26 108.53 2vak n ASN 143 Ca 0.01 0.30 -0.44 0.00 0.87 0.00 0.00 54.58 55.32 2vak n ASN 143 Cb 0.36 -0.87 0.00 0.00 -1.02 0.00 0.00 39.78 38.25 2vak n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2vak n ARG 144 N -4.00 3.67 0.04 3.52 1.74 0.12 -4.89 116.66 116.86 2vak n ARG 144 Ca -0.36 -4.32 0.05 0.00 -0.77 0.00 0.00 57.85 52.45 2vak n ARG 144 Cb 0.85 -2.65 0.46 0.00 -1.02 0.00 0.00 32.46 30.11 2vak n ARG 144 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2vak h ARG 145 N 6.49 0.44 0.00 5.56 9.65 -1.79 -2.63 114.38 132.10 2vak h ARG 145 Ca 0.22 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.07 2vak h ARG 145 Cb 0.82 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.30 2vak h ARG 145 CO 1.14 0.29 -0.03 0.00 2.80 0.00 0.00 179.97 184.18 2vak h ARG 146 N 0.46 0.00 0.00 0.20 3.08 -1.90 -2.07 114.38 114.15 2vak h ARG 146 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2vak h ARG 146 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2vak h ARG 146 CO -0.03 0.03 -0.67 1.05 -1.07 0.00 0.00 179.97 179.29 2vak h GLU 147 N 0.00 0.00 0.00 0.04 4.11 -1.84 -2.88 114.58 114.01 2vak h GLU 147 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 2vak h GLU 147 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2vak h GLU 147 CO 0.00 0.00 -0.02 1.25 0.07 0.00 0.00 179.01 180.31 2vak h LEU 148 N 0.00 0.01 -1.97 3.06 5.85 -1.49 -3.34 115.31 117.44 2vak h LEU 148 Ca 0.00 -0.91 0.19 0.00 0.84 0.00 0.00 57.88 58.00 2vak h LEU 148 Cb 0.79 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 2vak h LEU 148 CO 0.00 0.92 0.53 1.56 -0.34 0.00 0.00 178.44 181.11 2vak h GLN 149 N -0.89 0.00 0.00 1.25 4.20 -1.49 0.30 115.11 118.48 2vak h GLN 149 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 2vak h GLN 149 Cb 0.92 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.70 2vak h GLN 149 CO 0.00 0.00 -0.62 0.66 -0.67 0.00 0.00 178.83 178.21 2vak h SER 150 N 0.00 0.00 0.48 1.46 4.64 -1.65 -3.27 113.55 115.22 2vak h SER 150 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2vak h SER 150 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2vak h SER 150 CO -0.00 0.09 -1.42 0.29 -0.87 0.00 0.00 176.83 174.92 2vak n LYS 151 N -2.90 0.57 -0.25 4.77 5.02 -0.11 -4.62 118.16 120.64 2vak n LYS 151 Ca 0.01 -0.03 -0.06 0.00 -2.02 0.00 0.00 58.31 56.21 2vak n LYS 151 Cb 0.58 -1.66 0.09 0.00 -0.02 0.00 0.00 35.03 34.02 2vak n LYS 151 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 2vak h TYR 152 N 0.00 1.14 -0.92 2.13 3.20 -1.08 -2.63 116.97 118.81 2vak h TYR 152 Ca 0.00 -0.11 0.16 0.00 3.14 0.00 0.00 58.73 61.92 2vak h TYR 152 Cb 0.95 -0.33 -0.10 0.00 1.54 0.00 0.00 36.73 38.79 2vak h TYR 152 CO 0.00 0.90 0.51 -1.35 -1.64 0.00 0.00 178.16 176.58 2vak h PRO 153 N 1.06 0.68 -0.14 1.82 0.11 -1.82 1.51 132.00 135.23 2vak h PRO 153 Ca 0.23 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2vak h PRO 153 Cb 0.29 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 2vak h PRO 153 CO -0.01 0.45 0.09 -0.07 -0.21 0.00 0.00 178.00 178.25 2vak h LEU 154 N 0.70 0.16 -0.48 2.35 3.38 -1.80 -0.88 115.31 118.75 2vak h LEU 154 Ca 0.51 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.32 2vak h LEU 154 Cb 0.73 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2vak h LEU 154 CO -0.36 0.14 -0.22 -0.07 0.09 0.00 0.00 178.44 178.01 2vak h LEU 155 N 0.17 1.02 -0.63 1.67 3.38 -1.08 -2.55 115.31 117.28 2vak h LEU 155 Ca 0.05 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 2vak h LEU 155 Cb 0.00 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2vak h LEU 155 CO -0.01 1.19 0.33 0.25 0.09 0.00 0.00 178.44 180.29 2vak h LEU 156 N 0.84 0.80 -0.50 1.67 5.85 0.21 -1.40 115.31 122.79 2vak h LEU 156 Ca 0.11 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.80 2vak h LEU 156 Cb 0.80 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 2vak h LEU 156 CO 0.07 0.68 0.10 -0.09 -0.34 0.00 0.00 178.44 178.86 2vak h ARG 157 N 0.86 0.23 -0.20 1.25 2.43 -0.95 0.18 114.38 118.18 2vak h ARG 157 Ca 0.22 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 2vak h ARG 157 Cb 0.07 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 2vak h ARG 157 CO -0.03 0.15 0.01 0.77 -1.51 0.00 0.00 179.97 179.36 2vak h SER 158 N 0.24 -0.06 -0.54 -3.80 0.02 -1.38 -1.93 113.55 106.09 2vak h SER 158 Ca 0.25 0.04 0.08 0.00 -0.84 0.00 0.00 61.79 61.32 2vak h SER 158 Cb 0.33 0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.88 2vak h SER 158 CO -0.32 -0.00 0.19 0.74 -1.14 0.00 0.00 176.83 176.29 2vak h THR 159 N 0.08 0.80 -0.16 -2.27 2.02 -0.33 -0.67 112.91 112.37 2vak h THR 159 Ca 0.09 -0.12 -0.16 0.00 0.77 0.00 0.00 66.41 66.99 2vak h THR 159 Cb 0.11 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 2vak h THR 159 CO -0.15 0.07 -0.55 -0.07 0.37 0.00 0.00 175.52 175.19 2vak h LEU 160 N 0.36 0.54 -0.33 2.58 3.38 -0.65 -1.37 115.31 119.83 2vak h LEU 160 Ca 0.27 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2vak h LEU 160 Cb 0.31 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2vak h LEU 160 CO -0.28 0.98 -0.08 0.25 0.09 0.00 0.00 178.44 179.41 2vak h LEU 161 N 0.38 0.64 -0.92 1.67 5.85 -1.09 -2.26 115.31 119.58 2vak h LEU 161 Ca 0.01 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 2vak h LEU 161 Cb 1.08 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 2vak h LEU 161 CO 0.10 0.85 0.38 0.28 -0.34 0.00 0.00 178.44 179.71 2vak h SER 162 N 0.41 1.05 1.41 1.25 0.02 -1.05 -2.91 113.55 113.74 2vak h SER 162 Ca 0.08 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2vak h SER 162 Cb 0.57 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 2vak h SER 162 CO 0.03 0.89 -0.02 0.00 -1.14 0.00 0.00 176.83 176.60 2vak h ALA 163 N 1.27 1.00 -2.72 3.77 0.00 -1.23 -3.45 119.26 117.90 2vak h ALA 163 Ca 0.27 -0.01 -0.52 0.00 0.00 0.00 0.00 54.91 54.65 2vak h ALA 163 Cb 0.13 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2vak h ALA 163 CO -0.03 0.02 0.24 -1.64 0.00 0.00 0.00 179.25 177.84 2vak s MET 164 N -3.48 4.66 0.15 0.00 1.00 -0.85 -0.43 119.30 120.35 2vak s MET 164 Ca 0.03 1.27 -0.12 0.00 0.00 0.00 0.00 55.69 56.88 2vak s MET 164 Cb 0.07 -3.28 0.02 0.00 0.00 0.00 0.00 34.83 31.64 2vak s MET 164 CO 0.60 0.51 1.60 -0.09 0.00 0.00 0.00 175.02 177.64 2vak h ARG 165 N 4.48 0.91 0.00 2.03 2.43 -1.85 -3.44 114.38 118.94 2vak h ARG 165 Ca -0.46 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.41 2vak h ARG 165 Cb 1.20 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2vak h ARG 165 CO 0.67 0.95 0.00 0.00 -1.51 0.00 0.00 179.97 180.08 2vak n ALA 166 N -2.45 0.00 -1.96 2.80 0.00 -1.26 -5.00 120.51 112.64 2vak n ALA 166 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.17 2vak n ALA 166 Cb 0.33 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.96 2vak n ALA 166 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2vak s GLY 167 N 0.00 1.80 0.36 0.00 0.00 0.11 -5.01 107.32 104.57 2vak s GLY 167 Ca 0.00 -1.48 -0.28 0.00 0.00 0.00 0.00 44.72 42.96 2vak s GLY 167 CO 0.00 -0.72 1.27 -4.14 0.00 0.00 0.00 173.10 169.52 2vak s PRO 168 N -5.73 4.23 0.31 2.90 0.02 -1.26 -4.05 135.00 131.42 2vak s PRO 168 Ca 0.74 2.12 -0.16 0.00 0.02 0.00 0.00 61.00 63.72 2vak s PRO 168 Cb -0.03 -2.94 -0.09 0.00 0.02 0.00 0.00 34.50 31.47 2vak s PRO 168 CO 0.51 -0.26 0.73 0.54 -0.33 0.00 0.00 177.00 178.19 2vak s VAL 169 N -1.21 4.67 -0.01 3.83 0.11 -1.26 -3.02 120.40 123.51 2vak s VAL 169 Ca 0.52 0.99 0.03 0.00 -2.93 0.00 0.00 61.98 60.59 2vak s VAL 169 Cb -0.37 -3.64 -0.03 0.00 -1.53 0.00 0.00 36.38 30.80 2vak s VAL 169 CO 0.49 -0.14 -0.09 -0.76 -3.33 0.00 0.00 175.10 171.27 2vak s LEU 170 N -2.85 3.03 -0.45 2.54 1.43 0.25 -4.71 118.68 117.91 2vak s LEU 170 Ca 0.53 -0.17 -0.21 0.00 -1.03 0.00 0.00 54.13 53.24 2vak s LEU 170 Cb -0.11 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.42 2vak s LEU 170 CO 0.18 0.30 0.69 -0.47 0.23 0.00 0.00 176.35 177.28 2vak s TYR 171 N -0.92 3.03 -0.28 0.29 5.04 -1.26 -1.79 117.35 121.46 2vak s TYR 171 Ca 0.15 -0.02 0.02 0.00 -2.44 0.00 0.00 57.07 54.78 2vak s TYR 171 Cb -0.11 -3.47 0.06 0.00 0.35 0.00 0.00 41.96 38.79 2vak s TYR 171 CO 0.05 -0.93 -0.06 0.08 -1.34 0.00 0.00 175.55 173.35 2vak s VAL 172 N 2.98 2.39 -0.04 3.14 1.01 -0.47 -4.77 120.40 124.64 2vak s VAL 172 Ca 0.25 -1.67 0.01 0.00 0.00 0.00 0.00 61.98 60.57 2vak s VAL 172 Cb -0.14 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.82 2vak s VAL 172 CO 0.20 -0.12 -0.04 -0.70 0.00 0.00 0.00 175.10 174.44 2vak s GLU 173 N 1.11 0.73 0.16 2.72 2.12 -1.26 -0.95 118.70 123.33 2vak s GLU 173 Ca -0.06 -0.07 0.10 0.00 0.36 0.00 0.00 54.97 55.30 2vak s GLU 173 Cb -0.20 -0.76 -0.04 0.00 0.26 0.00 0.00 34.13 33.39 2vak s GLU 173 CO -0.04 -0.09 -0.22 0.95 -0.54 0.00 0.00 175.26 175.32 2vak s THR 174 N 0.91 2.02 0.06 -1.70 -4.23 -0.61 -4.69 115.64 107.39 2vak s THR 174 Ca -0.11 -1.86 -0.08 0.00 -1.18 0.00 0.00 61.69 58.46 2vak s THR 174 Cb -0.14 -1.90 -0.00 0.00 1.34 0.00 0.00 72.50 71.80 2vak s THR 174 CO -0.00 -0.15 0.16 -1.66 -0.54 0.00 0.00 174.62 172.42 2vak s TRP 175 N -1.64 0.15 0.39 3.99 -2.14 -1.26 -1.01 118.94 117.41 2vak s TRP 175 Ca 0.15 -0.48 -0.24 0.00 2.66 0.00 0.00 56.10 58.19 2vak s TRP 175 Cb -0.08 -0.09 -0.12 0.00 -3.10 0.00 0.00 33.47 30.09 2vak s TRP 175 CO 0.07 -0.45 0.83 -2.30 -2.66 0.00 0.00 176.95 172.44 2vak n PRO 176 N 0.41 1.02 -2.53 3.25 -0.02 -1.25 -2.10 135.00 133.78 2vak n PRO 176 Ca -0.17 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 2vak n PRO 176 Cb 0.60 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 2vak n PRO 176 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2vak n ASN 177 N 0.96 0.00 -0.09 2.55 0.23 -1.26 -4.85 115.26 112.79 2vak n ASN 177 Ca 0.11 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 54.14 2vak n ASN 177 Cb 0.37 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.31 2vak n ASN 177 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2vak h MET 178 N 2.12 0.74 -3.84 -3.83 -0.00 -1.81 -3.34 114.93 104.96 2vak h MET 178 Ca 0.00 -0.14 -0.79 0.00 -0.00 0.00 0.00 59.70 58.77 2vak h MET 178 Cb 0.00 -0.12 -0.26 0.00 -0.00 0.00 0.00 31.60 31.22 2vak h MET 178 CO 0.00 0.67 0.08 0.42 -0.00 0.00 0.00 176.91 178.08 2vak s ILE 179 N -5.19 5.59 0.33 -0.10 1.01 -1.26 -4.91 121.20 116.67 2vak s ILE 179 Ca -0.09 -2.43 -0.00 0.00 0.00 0.00 0.00 60.65 58.13 2vak s ILE 179 Cb 0.16 -4.46 0.00 0.00 0.01 0.00 0.00 42.46 38.17 2vak s ILE 179 CO 0.79 -1.02 0.44 -1.54 0.00 0.00 0.00 174.94 173.60 2vak n SER 180 N 4.03 -1.21 0.00 3.58 3.41 -1.26 -4.61 113.62 117.56 2vak n SER 180 Ca 0.12 -2.86 0.00 0.00 -0.26 0.00 0.00 58.87 55.87 2vak n SER 180 Cb 0.47 2.31 0.00 0.00 -0.26 0.00 0.00 64.21 66.73 2vak n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2vak n GLY 181 N -0.56 3.07 0.20 5.00 0.00 -1.26 -1.61 105.19 110.03 2vak n GLY 181 Ca 0.02 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 45.85 2vak n GLY 181 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2vak h ARG 182 N 0.00 0.00 -0.41 1.61 3.08 -1.99 -2.95 114.38 113.72 2vak h ARG 182 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2vak h ARG 182 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2vak h ARG 182 CO 0.00 0.33 0.20 1.25 -1.07 0.00 0.00 179.97 180.69 2vak h LEU 183 N 0.00 0.53 -0.18 3.04 5.85 -1.68 -0.92 115.31 121.95 2vak h LEU 183 Ca -0.00 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.65 2vak h LEU 183 Cb 0.78 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 2vak h LEU 183 CO 0.04 0.49 -0.23 0.00 -0.34 0.00 0.00 178.44 178.41 2vak h ALA 184 N 1.05 -0.15 -0.57 1.25 0.00 -1.15 -0.98 119.26 118.71 2vak h ALA 184 Ca 0.14 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2vak h ALA 184 Cb 0.10 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2vak h ALA 184 CO -0.02 -0.67 0.38 -0.44 0.00 0.00 0.00 179.25 178.50 2vak h ASP 185 N -0.26 0.52 0.14 0.00 3.32 -1.39 -0.16 116.42 118.58 2vak h ASP 185 Ca 0.12 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2vak h ASP 185 Cb 0.44 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2vak h ASP 185 CO -0.33 0.35 -0.07 -0.25 -1.72 0.00 0.00 179.24 177.22 2vak h TRP 186 N 0.60 -0.17 -0.71 4.55 7.01 -0.45 0.06 115.95 126.83 2vak h TRP 186 Ca 0.24 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.31 2vak h TRP 186 Cb 0.19 0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 27.24 2vak h TRP 186 CO -0.00 0.18 0.38 0.74 -2.79 0.00 0.00 178.44 176.95 2vak h PHE 187 N -0.55 0.70 -0.61 2.65 0.04 -0.92 -1.95 116.94 116.30 2vak h PHE 187 Ca -0.02 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.78 2vak h PHE 187 Cb 0.43 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 2vak h PHE 187 CO 0.04 0.29 0.40 1.98 -0.60 0.00 0.00 178.31 180.42 2vak h MET 188 N 0.68 0.81 -0.01 1.51 4.05 -0.95 -0.37 114.93 120.64 2vak h MET 188 Ca 0.34 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.71 2vak h MET 188 Cb 0.28 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 30.90 2vak h MET 188 CO -0.23 0.54 0.05 0.66 0.23 0.00 0.00 176.91 178.16 2vak h SER 189 N 0.83 0.00 -0.44 1.39 4.64 -0.18 -2.55 113.55 117.25 2vak h SER 189 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2vak h SER 189 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2vak h SER 189 CO -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.91 2vak n GLN 190 N -3.23 3.54 -1.59 4.77 6.02 -0.16 -5.02 117.38 121.70 2vak n GLN 190 Ca -0.03 -2.80 -0.49 0.00 -0.01 0.00 0.00 57.00 53.67 2vak n GLN 190 Cb 0.12 -1.86 -0.04 0.00 1.02 0.00 0.00 30.24 29.48 2vak n GLN 190 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2vak n TYR 191 N 0.29 1.46 -0.89 1.08 9.36 -0.96 -1.25 117.16 126.25 2vak n TYR 191 Ca 0.22 0.63 0.00 0.00 3.32 0.00 0.00 57.90 62.08 2vak n TYR 191 Cb 0.89 -2.32 0.00 0.00 -0.63 0.00 0.00 39.34 37.28 2vak n TYR 191 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2vak n GLY 192 N 2.16 0.64 3.85 2.98 0.00 0.12 -4.99 105.19 109.95 2vak n GLY 192 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2vak n GLY 192 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2vak s ASN 193 N -2.56 6.62 0.16 1.61 0.01 -0.38 -4.64 114.94 115.76 2vak s ASN 193 Ca 0.00 1.49 -0.30 0.00 -0.71 0.00 0.00 52.86 53.34 2vak s ASN 193 Cb 0.00 -2.47 -0.07 0.00 0.41 0.00 0.00 41.25 39.12 2vak s ASN 193 CO 0.00 -0.54 1.03 0.21 -1.51 0.00 0.00 177.10 176.29 2vak s ASN 194 N -3.04 7.40 0.23 -1.22 3.84 -1.26 -1.19 114.94 119.69 2vak s ASN 194 Ca 0.57 1.96 -0.13 0.00 0.21 0.00 0.00 52.86 55.48 2vak s ASN 194 Cb -0.10 -2.60 0.29 0.00 -0.55 0.00 0.00 41.25 38.29 2vak s ASN 194 CO 0.30 -0.12 1.60 0.15 -2.79 0.00 0.00 177.10 176.25 2vak h PHE 195 N 5.17 -0.46 -0.29 0.43 3.57 -0.89 -1.12 116.94 123.34 2vak h PHE 195 Ca -0.44 0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.06 2vak h PHE 195 Cb 1.21 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 40.25 2vak h PHE 195 CO 0.63 -0.33 -0.13 0.28 -2.23 0.00 0.00 178.31 176.53 2vak h VAL 196 N -0.02 1.23 -0.42 1.41 2.07 -1.93 -1.71 116.25 116.89 2vak h VAL 196 Ca 0.35 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 2vak h VAL 196 Cb 0.55 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2vak h VAL 196 CO -0.77 0.33 0.11 0.44 0.02 0.00 0.00 177.57 177.71 2vak h ASP 197 N 0.45 0.64 -0.66 0.57 3.45 -1.79 -1.69 116.42 117.39 2vak h ASP 197 Ca 0.08 -0.23 0.04 0.00 0.43 0.00 0.00 57.03 57.36 2vak h ASP 197 Cb 0.49 -0.17 -0.05 0.00 -0.56 0.00 0.00 39.33 39.05 2vak h ASP 197 CO 0.03 0.70 0.39 0.24 -1.57 0.00 0.00 179.24 179.03 2vak h MET 198 N 0.55 0.73 -0.52 3.56 2.86 -0.85 -1.48 114.93 119.77 2vak h MET 198 Ca 0.13 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.62 2vak h MET 198 Cb 0.30 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 2vak h MET 198 CO 0.00 0.48 -0.10 0.00 1.06 0.00 0.00 176.91 178.35 2vak h ALA 200 N 1.01 0.92 -0.38 0.00 0.00 -0.99 -1.74 119.26 118.08 2vak h ALA 200 Ca 0.14 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 2vak h ALA 200 Cb 0.64 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2vak h ALA 200 CO 0.04 0.63 -0.40 -0.09 0.00 0.00 0.00 179.25 179.44 2vak h ARG 201 N 0.41 0.94 -0.54 0.00 2.43 -1.07 -0.25 114.38 116.29 2vak h ARG 201 Ca 0.04 -0.50 -0.10 0.00 -0.81 0.00 0.00 59.98 58.61 2vak h ARG 201 Cb 0.87 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 2vak h ARG 201 CO 0.07 1.16 -0.04 -0.07 -1.51 0.00 0.00 179.97 179.59 2vak h LEU 202 N 0.76 0.97 0.15 3.80 3.38 -1.31 0.32 115.31 123.39 2vak h LEU 202 Ca 0.06 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.72 2vak h LEU 202 Cb 1.00 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2vak h LEU 202 CO 0.10 1.06 -0.26 0.74 0.09 0.00 0.00 178.44 180.17 2vak h THR 203 N 0.86 0.43 -0.93 0.22 2.02 -1.23 -2.50 112.91 111.79 2vak h THR 203 Ca 0.15 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.56 2vak h THR 203 Cb 0.59 0.43 -0.17 0.00 -1.74 0.00 0.00 68.15 67.26 2vak h THR 203 CO 0.04 0.00 -0.03 -0.61 0.37 0.00 0.00 175.52 175.29 2vak h GLN 204 N -0.48 0.03 0.00 6.66 5.75 -0.88 -1.73 115.11 124.46 2vak h GLN 204 Ca 0.02 -0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.49 2vak h GLN 204 Cb 0.50 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.03 2vak h GLN 204 CO -0.13 0.02 -0.13 0.77 -2.65 0.00 0.00 178.83 176.71 2vak h SER 205 N 0.04 0.00 0.33 -0.69 0.02 -0.53 -3.20 113.55 109.52 2vak h SER 205 Ca 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 2vak h SER 205 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.54 2vak h SER 205 CO -0.87 0.13 -0.36 0.00 -1.14 0.00 0.00 176.83 174.60 2vak h SER 207 N 0.74 -1.56 -2.44 0.00 0.02 -1.54 -3.11 113.55 105.66 2vak h SER 207 Ca 0.00 0.21 -0.54 0.00 -0.84 0.00 0.00 61.79 60.63 2vak h SER 207 Cb 0.50 0.65 -0.04 0.00 0.14 0.00 0.00 62.40 63.65 2vak h SER 207 CO 0.00 -0.41 1.26 0.54 -1.14 0.00 0.00 176.83 177.08 2vak s ASN 208 N -4.99 5.70 0.09 3.07 2.20 -1.26 -4.95 114.94 114.79 2vak s ASN 208 Ca -0.15 0.66 -0.33 0.00 -0.94 0.00 0.00 52.86 52.10 2vak s ASN 208 Cb 0.10 -2.53 -0.16 0.00 -2.00 0.00 0.00 41.25 36.66 2vak s ASN 208 CO 0.64 -1.98 1.60 0.24 -2.94 0.00 0.00 177.10 174.65 2vak h MET 209 N 13.29 -0.86 0.00 3.55 2.86 -1.90 -3.45 114.93 128.43 2vak h MET 209 Ca -0.29 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 2vak h MET 209 Cb 1.15 0.19 0.00 0.00 0.06 0.00 0.00 31.60 33.00 2vak h MET 209 CO 1.14 -0.57 0.00 -2.30 1.06 0.00 0.00 176.91 176.24 2vak n PRO 210 N -5.51 0.00 -3.75 -0.22 -0.02 -1.26 -4.83 135.00 119.40 2vak n PRO 210 Ca -0.11 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 60.99 2vak n PRO 210 Cb 0.41 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.77 2vak n PRO 210 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2vak s VAL 211 N 0.00 3.63 -0.00 -1.45 1.01 -1.26 -5.01 120.40 117.31 2vak s VAL 211 Ca 0.00 -1.42 -0.18 0.00 0.00 0.00 0.00 61.98 60.39 2vak s VAL 211 Cb 0.00 -3.18 -0.06 0.00 0.00 0.00 0.00 36.38 33.15 2vak s VAL 211 CO 0.00 -0.33 0.49 -1.61 0.00 0.00 0.00 175.10 173.65 2vak s GLU 212 N 1.33 4.15 0.14 2.72 8.01 -1.26 -4.83 118.70 128.96 2vak s GLU 212 Ca 0.01 0.56 -0.34 0.00 0.01 0.00 0.00 54.97 55.20 2vak s GLU 212 Cb -0.21 -3.29 -0.16 0.00 -4.31 0.00 0.00 34.13 26.17 2vak s GLU 212 CO 0.01 0.52 1.32 -0.35 0.01 0.00 0.00 175.26 176.77 2vak n PRO 213 N 2.31 1.40 -0.90 0.39 -0.04 -1.26 -0.93 135.00 135.96 2vak n PRO 213 Ca -0.10 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 2vak n PRO 213 Cb 0.52 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 2vak n PRO 213 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2vak n ASP 214 N 2.44 -1.62 -2.97 3.54 8.00 -1.26 -5.02 116.55 119.67 2vak n ASP 214 Ca 0.16 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.52 2vak n ASP 214 Cb 0.24 -1.10 0.11 0.00 -0.02 0.00 0.00 41.12 40.35 2vak n ASP 214 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vak n GLY 215 N -1.87 -2.04 0.11 0.44 0.00 -0.11 -4.75 105.19 96.96 2vak n GLY 215 Ca 0.00 -1.57 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 2vak n GLY 215 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2vak h ASN 216 N -1.40 0.23 -0.52 1.61 2.35 -1.95 -1.67 115.58 114.22 2vak h ASN 216 Ca -0.20 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.24 2vak h ASN 216 Cb 0.59 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 2vak h ASN 216 CO 0.14 0.46 0.23 1.88 -1.65 0.00 0.00 177.43 178.49 2vak h TYR 217 N -0.00 0.77 0.15 1.19 0.05 -1.94 -1.60 116.97 115.58 2vak h TYR 217 Ca 0.04 -0.05 0.01 0.00 0.05 0.00 0.00 58.73 58.79 2vak h TYR 217 Cb 0.33 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.81 2vak h TYR 217 CO 0.02 0.61 -0.25 0.22 -1.05 0.00 0.00 178.16 177.72 2vak h ASP 218 N 0.70 -0.68 -0.11 3.88 3.58 -1.79 -1.42 116.42 120.58 2vak h ASP 218 Ca 0.18 0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.66 2vak h ASP 218 Cb 0.15 0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 2vak h ASP 218 CO -0.02 -0.34 -0.05 1.56 -2.88 0.00 0.00 179.24 177.51 2vak h GLN 219 N -0.47 0.37 -0.37 0.28 4.20 -1.16 -1.00 115.11 116.97 2vak h GLN 219 Ca 0.02 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 2vak h GLN 219 Cb 0.48 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2vak h GLN 219 CO -0.12 0.44 0.15 1.96 -0.67 0.00 0.00 178.83 180.60 2vak h GLN 220 N 0.36 0.55 -0.19 1.46 4.20 -1.02 -2.23 115.11 118.24 2vak h GLN 220 Ca 0.08 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 2vak h GLN 220 Cb 0.32 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2vak h GLN 220 CO 0.01 0.53 -0.16 0.52 -0.67 0.00 0.00 178.83 179.06 2vak h MET 221 N 0.45 0.45 -0.68 1.46 2.86 -0.43 0.13 114.93 119.17 2vak h MET 221 Ca 0.12 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 2vak h MET 221 Cb 0.18 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 2vak h MET 221 CO -0.01 0.78 0.30 0.00 1.06 0.00 0.00 176.91 179.04 2vak h ARG 222 N 0.12 1.00 -0.10 1.72 3.08 -1.27 -1.73 114.38 117.19 2vak h ARG 222 Ca 0.04 -0.17 -0.17 0.00 0.07 0.00 0.00 59.98 59.74 2vak h ARG 222 Cb 0.68 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2vak h ARG 222 CO 0.04 0.82 -0.68 0.00 -1.07 0.00 0.00 179.97 179.08 2vak h ALA 223 N 1.14 0.64 -0.76 0.04 0.00 -1.32 -2.71 119.26 116.29 2vak h ALA 223 Ca 0.23 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 2vak h ALA 223 Cb 0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2vak h ALA 223 CO -0.02 0.74 0.26 1.25 0.00 0.00 0.00 179.25 181.47 2vak h LEU 224 N 0.30 1.08 -0.04 0.00 5.85 -0.85 -0.89 115.31 120.76 2vak h LEU 224 Ca -0.02 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 2vak h LEU 224 Cb 1.24 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 2vak h LEU 224 CO 0.12 0.99 -0.03 0.40 -0.34 0.00 0.00 178.44 179.58 2vak h ILE 225 N 1.12 1.34 0.02 4.05 2.04 -1.22 -2.39 117.51 122.46 2vak h ILE 225 Ca 0.25 -1.07 -0.21 0.00 1.00 0.00 0.00 64.86 64.83 2vak h ILE 225 Cb 0.28 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 2vak h ILE 225 CO -0.01 0.29 -0.96 0.77 0.00 0.00 0.00 178.15 178.23 2vak h SER 226 N -0.32 0.11 0.40 1.72 4.64 -1.54 0.12 113.55 118.68 2vak h SER 226 Ca 0.01 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 2vak h SER 226 Cb 0.48 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 2vak h SER 226 CO 0.01 1.01 -0.33 0.25 -0.87 0.00 0.00 176.83 176.89 2vak h LEU 227 N 0.03 -0.87 0.08 5.97 5.85 -1.25 -1.66 115.31 123.46 2vak h LEU 227 Ca -0.03 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.77 2vak h LEU 227 Cb 1.67 0.28 -0.05 0.00 0.37 0.00 0.00 40.66 42.93 2vak h LEU 227 CO 0.14 -0.48 -0.51 -0.25 -0.34 0.00 0.00 178.44 176.99 2vak h TRP 228 N -0.73 -1.49 -0.49 1.25 7.01 -1.38 -2.45 115.95 117.66 2vak h TRP 228 Ca -0.03 0.04 0.10 0.00 2.11 0.00 0.00 58.89 61.11 2vak h TRP 228 Cb 0.64 0.64 -0.09 0.00 -2.10 0.00 0.00 29.16 28.25 2vak h TRP 228 CO -0.16 -0.57 -0.05 1.25 -2.79 0.00 0.00 178.44 176.11 2vak h LEU 229 N -0.71 -0.32 -2.53 0.65 5.85 -0.73 0.12 115.31 117.64 2vak h LEU 229 Ca -0.00 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2vak h LEU 229 Cb 0.72 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 2vak h LEU 229 CO -0.30 -0.11 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.61 2vak h LEU 230 N 0.06 0.00 0.11 2.25 3.38 -1.23 0.57 115.31 120.45 2vak h LEU 230 Ca 0.24 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.92 2vak h LEU 230 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2vak h LEU 230 CO -0.45 0.01 -1.41 0.28 0.09 0.00 0.00 178.44 176.96 2vak h SER 231 N 0.00 0.37 -0.89 -0.43 0.02 -0.38 0.13 113.55 112.37 2vak h SER 231 Ca -0.00 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.47 2vak h SER 231 Cb 0.14 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 2vak h SER 231 CO 0.00 1.38 0.52 0.22 -1.14 0.00 0.00 176.83 177.81 2vak h TYR 232 N 0.06 1.19 -0.01 3.45 3.20 0.12 -2.38 116.97 122.61 2vak h TYR 232 Ca -0.20 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.66 2vak h TYR 232 Cb 1.99 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 39.87 2vak h TYR 232 CO 0.06 0.80 -0.12 0.44 -1.64 0.00 0.00 178.16 177.70 2vak n ILE 233 N -4.38 0.00 -0.23 1.81 -5.35 -0.28 -4.64 119.36 106.29 2vak n ILE 233 Ca 0.09 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 2vak n ILE 233 Cb 0.07 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 2vak n ILE 233 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2vak n GLY 234 N 1.25 1.35 0.12 3.28 0.00 -0.90 -3.89 105.19 106.40 2vak n GLY 234 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 2vak n GLY 234 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2vak h VAL 235 N 0.00 1.51 -3.53 1.61 -1.51 -1.67 -3.40 116.25 109.26 2vak h VAL 235 Ca 0.00 -2.70 -0.61 0.00 -1.23 0.00 0.00 66.70 62.16 2vak h VAL 235 Cb 0.00 2.52 -0.13 0.00 -2.13 0.00 0.00 31.29 31.55 2vak h VAL 235 CO 0.00 0.79 -0.32 -0.69 -1.23 0.00 0.00 177.57 176.11 2vak s VAL 236 N -3.14 5.26 0.04 7.19 1.01 0.39 -4.78 120.40 126.38 2vak s VAL 236 Ca -0.03 0.49 -0.01 0.00 0.00 0.00 0.00 61.98 62.43 2vak s VAL 236 Cb 0.10 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.85 2vak s VAL 236 CO 0.83 0.28 0.08 -0.46 0.00 0.00 0.00 175.10 175.84 2vak n ASN 237 N 4.44 -0.23 0.23 3.32 0.23 -0.32 -3.86 115.26 119.06 2vak n ASN 237 Ca -0.11 -1.18 0.16 0.00 -0.53 0.00 0.00 54.58 52.92 2vak n ASN 237 Cb 0.51 0.39 0.65 0.00 -2.08 0.00 0.00 39.78 39.26 2vak n ASN 237 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 2vak h GLN 238 N 0.00 0.00 0.00 -3.83 3.07 -1.96 -1.43 115.11 110.96 2vak h GLN 238 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.70 2vak h GLN 238 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.69 2vak h GLN 238 CO 0.04 0.00 -0.54 0.25 0.09 0.00 0.00 178.83 178.67 2vak n THR 239 N -2.77 0.15 -3.42 1.86 -2.24 -1.26 -4.71 114.28 101.88 2vak n THR 239 Ca 0.01 -0.12 -0.21 0.00 -2.27 0.00 0.00 64.05 61.46 2vak n THR 239 Cb 0.26 0.05 -0.10 0.00 -2.10 0.00 0.00 70.33 68.43 2vak n THR 239 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2vak s ASN 240 N -3.53 2.08 0.31 3.42 2.47 -0.54 -3.14 114.94 116.01 2vak s ASN 240 Ca 0.09 -1.31 0.09 0.00 0.42 0.00 0.00 52.86 52.14 2vak s ASN 240 Cb 0.16 0.22 -0.04 0.00 -1.45 0.00 0.00 41.25 40.14 2vak s ASN 240 CO 0.70 -0.35 0.08 0.42 -3.72 0.00 0.00 177.10 174.23 2vak s THR 241 N 1.85 3.22 -0.38 -5.21 -4.23 -0.33 -1.17 115.64 109.37 2vak s THR 241 Ca 0.13 -1.78 -0.09 0.00 -1.18 0.00 0.00 61.69 58.76 2vak s THR 241 Cb -0.16 -2.94 0.05 0.00 1.34 0.00 0.00 72.50 70.79 2vak s THR 241 CO -0.20 -0.26 0.21 -0.63 -0.54 0.00 0.00 174.62 173.20 2vak s ILE 242 N -2.38 4.30 -1.34 2.99 1.01 -0.26 -1.68 121.20 123.84 2vak s ILE 242 Ca 0.35 -1.12 -0.10 0.00 0.00 0.00 0.00 60.65 59.79 2vak s ILE 242 Cb -0.04 -3.49 0.07 0.00 0.01 0.00 0.00 42.46 39.01 2vak s ILE 242 CO 0.21 -0.33 0.54 -1.20 0.00 0.00 0.00 174.94 174.17 2vak n SER 243 N 4.93 -3.96 0.00 3.58 7.64 -1.26 -0.93 113.62 123.62 2vak n SER 243 Ca -0.11 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.33 2vak n SER 243 Cb 0.45 -3.26 0.00 0.00 -1.01 0.00 0.00 64.21 60.39 2vak n SER 243 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vak n GLY 244 N -1.24 3.34 3.87 0.23 0.00 -1.26 -4.95 105.19 105.17 2vak n GLY 244 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2vak n GLY 244 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2vak s PHE 245 N -2.94 3.54 0.10 1.61 0.08 -0.11 0.79 117.98 121.05 2vak s PHE 245 Ca 0.00 0.86 -0.25 0.00 0.12 0.00 0.00 56.93 57.66 2vak s PHE 245 Cb 0.00 -2.23 0.07 0.00 -0.57 0.00 0.00 43.02 40.29 2vak s PHE 245 CO 0.00 0.42 0.62 1.52 -0.10 0.00 0.00 175.22 177.68 2vak s TYR 246 N -1.55 -0.57 0.03 0.36 1.13 -0.69 -1.10 117.35 114.95 2vak s TYR 246 Ca 0.39 0.54 -0.04 0.00 -1.41 0.00 0.00 57.07 56.56 2vak s TYR 246 Cb -0.13 0.51 -0.04 0.00 -1.10 0.00 0.00 41.96 41.20 2vak s TYR 246 CO 0.20 -0.78 0.24 -0.06 -2.51 0.00 0.00 175.55 172.63 2vak s PHE 247 N -3.04 3.54 0.09 -3.49 0.40 -1.26 0.15 117.98 114.36 2vak s PHE 247 Ca -0.02 0.42 0.05 0.00 -0.60 0.00 0.00 56.93 56.78 2vak s PHE 247 Cb -0.01 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.61 2vak s PHE 247 CO -0.07 0.60 -0.13 0.45 0.70 0.00 0.00 175.22 176.77 2vak s SER 248 N -2.05 1.70 -0.02 1.36 0.15 0.07 -4.86 113.70 110.06 2vak s SER 248 Ca 0.31 -0.69 0.03 0.00 0.70 0.00 0.00 55.95 56.29 2vak s SER 248 Cb -0.13 -0.04 -0.00 0.00 -1.71 0.00 0.00 66.02 64.14 2vak s SER 248 CO 0.21 -0.13 -0.09 -0.55 1.20 0.00 0.00 173.24 173.88 2vak s SER 249 N -2.02 1.09 0.13 5.45 0.15 -1.26 -0.91 113.70 116.34 2vak s SER 249 Ca 0.02 -0.17 -0.15 0.00 0.70 0.00 0.00 55.95 56.35 2vak s SER 249 Cb -0.08 -0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 64.02 2vak s SER 249 CO 0.02 0.09 1.60 0.11 1.20 0.00 0.00 173.24 176.26 2vak h LYS 250 N 6.15 0.70 -6.15 5.44 1.57 -1.93 -3.44 116.57 118.91 2vak h LYS 250 Ca -0.32 -0.20 -0.49 0.00 -1.87 0.00 0.00 60.65 57.77 2vak h LYS 250 Cb 1.18 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 2vak h LYS 250 CO 0.49 0.75 -0.45 0.95 -0.57 0.00 0.00 179.45 180.63 2vak s THR 251 N -5.13 5.19 -0.11 -0.16 -4.23 -1.26 -5.12 115.64 104.81 2vak s THR 251 Ca -0.13 -0.95 -0.04 0.00 -1.18 0.00 0.00 61.69 59.40 2vak s THR 251 Cb 0.10 -3.77 0.05 0.00 1.34 0.00 0.00 72.50 70.22 2vak s THR 251 CO 0.79 -0.26 0.09 -0.60 -0.54 0.00 0.00 174.62 174.10 2vak s ARG 252 N -3.75 0.01 0.00 3.99 6.06 -1.26 -4.64 118.95 119.37 2vak s ARG 252 Ca 0.34 0.19 0.00 0.00 -2.50 0.00 0.00 55.73 53.75 2vak s ARG 252 Cb -0.09 -1.11 0.00 0.00 0.06 0.00 0.00 34.95 33.80 2vak s ARG 252 CO 0.28 -0.50 0.00 0.41 -2.50 0.00 0.00 175.30 172.99 2vak n GLY 253 N 5.30 0.91 3.33 8.12 0.00 -1.26 -4.32 105.19 117.27 2vak n GLY 253 Ca -0.05 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.37 2vak n GLY 253 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2vak s GLN 254 N -1.22 1.38 0.48 1.61 0.74 -1.26 -4.38 119.66 117.01 2vak s GLN 254 Ca 0.00 -1.73 0.18 0.00 0.05 0.00 0.00 55.36 53.86 2vak s GLN 254 Cb 0.00 -0.45 1.18 0.00 1.10 0.00 0.00 33.01 34.84 2vak s GLN 254 CO 0.00 -0.20 2.01 0.00 -0.55 0.00 0.00 175.29 176.55 2vak h ALA 255 N 2.41 2.18 -0.01 1.58 0.00 -1.96 -2.77 119.26 120.70 2vak h ALA 255 Ca -0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2vak h ALA 255 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2vak h ALA 255 CO 0.63 -0.30 -0.19 1.28 0.00 0.00 0.00 179.25 180.67 2vak n LEU 256 N -4.45 0.90 -4.62 0.00 4.77 -1.26 -4.96 117.00 107.38 2vak n LEU 256 Ca 0.08 -0.20 -0.54 0.00 -0.03 0.00 0.00 56.01 55.32 2vak n LEU 256 Cb 0.42 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.32 2vak n LEU 256 CO 0.35 0.17 1.01 0.47 -1.33 0.00 0.00 177.39 178.05 2vak n ASP 257 N -0.67 1.76 -3.40 -1.43 9.92 -1.05 -4.82 116.55 116.87 2vak n ASP 257 Ca 0.13 1.11 -0.06 0.00 -0.53 0.00 0.00 54.79 55.45 2vak n ASP 257 Cb 0.33 -1.16 -0.07 0.00 -0.64 0.00 0.00 41.12 39.58 2vak n ASP 257 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2vak s SER 258 N 1.36 -0.30 -0.29 -2.24 0.15 -1.26 -5.06 113.70 106.07 2vak s SER 258 Ca 0.89 0.62 -0.17 0.00 0.70 0.00 0.00 55.95 57.99 2vak s SER 258 Cb -1.01 1.46 -0.02 0.00 -1.71 0.00 0.00 66.02 64.74 2vak s SER 258 CO 0.53 -0.27 0.49 0.26 1.20 0.00 0.00 173.24 175.45 2vak s TRP 259 N 2.65 3.24 -0.10 3.44 0.52 -1.26 -4.13 118.94 123.30 2vak s TRP 259 Ca 0.10 0.48 -0.00 0.00 0.02 0.00 0.00 56.10 56.70 2vak s TRP 259 Cb -0.14 -2.75 -0.03 0.00 -1.15 0.00 0.00 33.47 29.40 2vak s TRP 259 CO -0.16 -0.34 -0.07 0.99 0.02 0.00 0.00 176.95 177.39 2vak s THR 260 N 2.30 3.67 -0.18 2.01 2.01 -0.08 -0.12 115.64 125.24 2vak s THR 260 Ca 0.20 -0.47 -0.29 0.00 0.31 0.00 0.00 61.69 61.43 2vak s THR 260 Cb -0.16 -2.53 -0.02 0.00 0.01 0.00 0.00 72.50 69.81 2vak s THR 260 CO 0.10 0.56 1.33 -0.22 -0.69 0.00 0.00 174.62 175.71 2vak s LEU 261 N -0.37 4.13 0.37 4.42 2.96 -0.34 -0.75 118.68 129.10 2vak s LEU 261 Ca 0.05 1.66 0.08 0.00 -0.22 0.00 0.00 54.13 55.71 2vak s LEU 261 Cb -0.12 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.96 2vak s LEU 261 CO 0.02 -0.86 -0.02 -0.36 -1.32 0.00 0.00 176.35 173.81 2vak s PHE 262 N 3.81 2.49 -0.02 5.38 0.08 0.12 0.12 117.98 129.96 2vak s PHE 262 Ca 0.58 -0.55 0.02 0.00 0.12 0.00 0.00 56.93 57.10 2vak s PHE 262 Cb -0.22 -1.58 0.00 0.00 -0.57 0.00 0.00 43.02 40.65 2vak s PHE 262 CO 0.18 0.49 -0.07 -0.47 -0.10 0.00 0.00 175.22 175.25 2vak s TYR 263 N -2.62 0.72 -0.12 0.36 5.04 -1.26 -1.70 117.35 117.77 2vak s TYR 263 Ca 0.35 -0.16 0.03 0.00 -2.44 0.00 0.00 57.07 54.84 2vak s TYR 263 Cb 0.04 -0.53 0.01 0.00 0.35 0.00 0.00 41.96 41.83 2vak s TYR 263 CO 0.18 -0.08 -0.20 0.99 -1.34 0.00 0.00 175.55 175.10 2vak s THR 264 N 0.24 1.85 0.10 4.34 2.01 0.24 -4.98 115.64 119.43 2vak s THR 264 Ca -0.03 -0.87 -0.19 0.00 0.31 0.00 0.00 61.69 60.91 2vak s THR 264 Cb -0.08 -1.64 -0.07 0.00 0.01 0.00 0.00 72.50 70.72 2vak s THR 264 CO 0.00 0.51 1.61 0.74 -0.69 0.00 0.00 174.62 176.79 2vak h THR 265 N 5.84 1.20 -0.13 -0.82 2.02 -1.98 -3.39 112.91 115.65 2vak h THR 265 Ca -0.29 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.25 2vak h THR 265 Cb 1.20 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 2vak h THR 265 CO 0.51 0.21 0.00 -0.46 0.37 0.00 0.00 175.52 176.15 2vak n ASN 266 N -4.74 2.20 -4.84 4.18 6.94 -1.26 -5.00 115.26 112.74 2vak n ASN 266 Ca -0.03 -1.64 -0.21 0.00 -0.02 0.00 0.00 54.58 52.68 2vak n ASN 266 Cb 0.16 -0.08 -0.04 0.00 -2.36 0.00 0.00 39.78 37.47 2vak n ASN 266 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2vak s THR 267 N -0.88 3.52 0.22 5.53 -4.23 -1.26 -5.05 115.64 113.48 2vak s THR 267 Ca 0.15 -1.39 -0.31 0.00 -1.18 0.00 0.00 61.69 58.96 2vak s THR 267 Cb 0.09 -3.18 -0.15 0.00 1.34 0.00 0.00 72.50 70.61 2vak s THR 267 CO 0.13 -0.18 1.18 -3.20 -0.54 0.00 0.00 174.62 172.01 2vak n ASN 268 N -1.36 1.71 -4.25 3.99 5.15 -1.19 -4.83 115.26 114.48 2vak n ASN 268 Ca -0.02 1.15 -0.33 0.00 -0.60 0.00 0.00 54.58 54.79 2vak n ASN 268 Cb 0.60 -1.29 -0.16 0.00 -0.53 0.00 0.00 39.78 38.39 2vak n ASN 268 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2vak s ARG 269 N -0.73 3.15 0.77 1.20 0.52 -1.26 -1.19 118.95 121.41 2vak s ARG 269 Ca 0.68 -0.81 -0.13 0.00 -0.52 0.00 0.00 55.73 54.95 2vak s ARG 269 Cb -0.76 -2.46 0.06 0.00 0.52 0.00 0.00 34.95 32.32 2vak s ARG 269 CO 0.54 0.12 1.16 0.14 0.02 0.00 0.00 175.30 177.27 2vak s VAL 270 N 0.53 2.55 -0.62 3.52 -7.23 -0.68 -4.95 120.40 113.54 2vak s VAL 270 Ca -0.12 0.23 0.03 0.00 -1.81 0.00 0.00 61.98 60.31 2vak s VAL 270 Cb -0.17 -2.64 0.15 0.00 0.56 0.00 0.00 36.38 34.29 2vak s VAL 270 CO 0.04 -0.19 0.39 -1.10 -0.31 0.00 0.00 175.10 173.94 2vak s GLN 271 N -4.29 2.29 0.00 4.82 -0.21 -1.25 -4.79 119.66 116.23 2vak s GLN 271 Ca 0.69 -2.90 -0.30 0.00 0.02 0.00 0.00 55.36 52.87 2vak s GLN 271 Cb -0.24 -3.44 -0.07 0.00 1.00 0.00 0.00 33.01 30.25 2vak s GLN 271 CO 0.50 -1.19 1.76 0.42 -2.12 0.00 0.00 175.29 174.66 2vak s ILE 272 N -0.73 3.28 -0.16 1.08 1.01 -1.24 -4.52 121.20 119.92 2vak s ILE 272 Ca 0.20 0.43 0.17 0.00 0.00 0.00 0.00 60.65 61.45 2vak s ILE 272 Cb -0.17 -3.28 -0.25 0.00 0.01 0.00 0.00 42.46 38.78 2vak s ILE 272 CO -0.07 -0.03 0.21 0.41 0.00 0.00 0.00 174.94 175.46 2vak n THR 273 N 5.35 1.39 -4.25 2.92 -1.04 -0.75 -4.14 114.28 113.75 2vak n THR 273 Ca 0.18 -0.83 -0.17 0.00 -2.04 0.00 0.00 64.05 61.18 2vak n THR 273 Cb 0.42 -0.56 -0.09 0.00 -1.82 0.00 0.00 70.33 68.28 2vak n THR 273 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2vak s GLN 274 N -2.55 1.61 0.28 -2.82 -2.07 -1.22 -4.84 119.66 108.05 2vak s GLN 274 Ca -0.09 -1.90 -0.26 0.00 -1.82 0.00 0.00 55.36 51.29 2vak s GLN 274 Cb 0.07 0.31 -0.09 0.00 -1.09 0.00 0.00 33.01 32.21 2vak s GLN 274 CO 0.83 -0.58 0.90 0.50 -1.32 0.00 0.00 175.29 175.62 2vak s ARG 275 N -3.63 4.59 -0.03 9.60 3.52 -1.26 -3.74 118.95 128.00 2vak s ARG 275 Ca 0.40 1.29 0.01 0.00 -0.13 0.00 0.00 55.73 57.30 2vak s ARG 275 Cb 0.04 -2.93 0.01 0.00 -1.56 0.00 0.00 34.95 30.50 2vak s ARG 275 CO 0.23 0.36 -0.05 -1.01 -0.81 0.00 0.00 175.30 174.02 2vak s HIS 276 N -1.49 0.66 0.02 5.12 3.76 -0.18 -4.90 115.29 118.27 2vak s HIS 276 Ca 0.47 -0.15 0.02 0.00 -0.15 0.00 0.00 55.06 55.24 2vak s HIS 276 Cb -0.20 -0.54 -0.01 0.00 1.11 0.00 0.00 32.58 32.94 2vak s HIS 276 CO 0.25 -0.11 -0.06 0.12 -0.85 0.00 0.00 174.74 174.08 2vak s PHE 277 N 0.50 0.57 -0.11 1.40 5.36 -1.26 -1.58 117.98 122.86 2vak s PHE 277 Ca -0.06 -0.29 -0.17 0.00 -0.96 0.00 0.00 56.93 55.45 2vak s PHE 277 Cb -0.10 -0.35 0.04 0.00 -0.34 0.00 0.00 43.02 42.27 2vak s PHE 277 CO -0.00 -0.05 0.42 0.00 -1.46 0.00 0.00 175.22 174.14 2vak s ALA 278 N -0.74 -1.06 -0.08 11.12 0.00 -0.13 -5.01 121.76 125.85 2vak s ALA 278 Ca -0.04 0.96 -0.20 0.00 0.00 0.00 0.00 51.96 52.68 2vak s ALA 278 Cb -0.06 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 2vak s ALA 278 CO 0.00 -0.24 0.57 0.71 0.00 0.00 0.00 175.76 176.80 2vak s TYR 279 N -0.41 3.56 -0.15 0.00 2.02 -1.25 -1.37 117.35 119.75 2vak s TYR 279 Ca -0.05 1.05 -0.00 0.00 -0.37 0.00 0.00 57.07 57.70 2vak s TYR 279 Cb -0.03 -2.64 0.03 0.00 -0.40 0.00 0.00 41.96 38.92 2vak s TYR 279 CO 0.03 0.17 -0.07 0.08 -1.57 0.00 0.00 175.55 174.19 2vak s VAL 280 N 0.55 1.17 0.28 0.71 1.01 -0.74 -0.83 120.40 122.55 2vak s VAL 280 Ca 0.31 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.80 2vak s VAL 280 Cb -0.16 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 2vak s VAL 280 CO 0.14 0.24 0.25 0.00 0.00 0.00 0.00 175.10 175.73 2vak s ALA 282 N -2.17 3.59 -0.07 0.00 0.00 -1.17 -0.44 121.76 121.51 2vak s ALA 282 Ca 0.36 -0.54 -0.25 0.00 0.00 0.00 0.00 51.96 51.53 2vak s ALA 282 Cb -0.07 -2.91 -0.25 0.00 0.00 0.00 0.00 23.12 19.89 2vak s ALA 282 CO 0.26 -0.72 0.97 -0.09 0.00 0.00 0.00 175.76 176.19 2vak h ARG 283 N 7.91 0.13 -6.64 0.00 2.43 -1.05 0.31 114.38 117.48 2vak h ARG 283 Ca -0.29 -0.16 -0.51 0.00 -0.81 0.00 0.00 59.98 58.21 2vak h ARG 283 Cb 1.14 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 2vak h ARG 283 CO 0.73 0.94 0.08 -1.54 -1.51 0.00 0.00 179.97 178.67 2vak s SER 284 N -6.31 6.86 0.25 -3.80 1.04 -1.24 -4.42 113.70 106.08 2vak s SER 284 Ca -0.16 1.30 0.22 0.00 0.48 0.00 0.00 55.95 57.78 2vak s SER 284 Cb 0.00 -2.38 0.98 0.00 0.10 0.00 0.00 66.02 64.72 2vak s SER 284 CO 0.73 -0.10 1.66 -2.65 0.98 0.00 0.00 173.24 173.86 2vak n PRO 285 N 0.07 0.16 0.00 4.02 -0.02 -1.26 -2.00 135.00 135.97 2vak n PRO 285 Ca 0.01 0.47 0.03 0.00 -2.02 0.00 0.00 63.50 61.99 2vak n PRO 285 Cb 0.52 -1.86 0.14 0.00 -0.02 0.00 0.00 33.50 32.28 2vak n PRO 285 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2vak n ASP 286 N -2.17 0.00 -0.20 2.55 5.68 -1.26 -0.95 116.55 120.20 2vak n ASP 286 Ca 0.01 0.21 0.25 0.00 -0.50 0.00 0.00 54.79 54.75 2vak n ASP 286 Cb 0.17 -0.28 0.64 0.00 -1.14 0.00 0.00 41.12 40.50 2vak n ASP 286 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 2vak h TRP 287 N 0.00 0.22 0.00 2.11 5.08 -1.78 -1.57 115.95 120.01 2vak h TRP 287 Ca 0.00 0.01 -0.02 0.00 1.08 0.00 0.00 58.89 59.96 2vak h TRP 287 Cb 0.05 -0.07 -0.00 0.00 -3.00 0.00 0.00 29.16 26.14 2vak h TRP 287 CO 0.00 0.05 -0.07 -0.91 -1.28 0.00 0.00 178.44 176.23 2vak h ASN 288 N 0.16 0.00 0.01 0.11 2.35 -1.31 -1.72 115.58 115.18 2vak h ASN 288 Ca 0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 2vak h ASN 288 Cb 1.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.85 2vak h ASN 288 CO -0.08 0.07 -0.82 0.55 -1.65 0.00 0.00 177.43 175.51 2vak n VAL 289 N -4.17 0.00 -2.92 2.81 3.14 -0.60 -1.17 118.33 115.42 2vak n VAL 289 Ca -0.03 -0.08 -0.43 0.00 -2.96 0.00 0.00 64.34 60.84 2vak n VAL 289 Cb 0.16 1.05 -0.04 0.00 -1.06 0.00 0.00 33.84 33.95 2vak n VAL 289 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2vak s ASP 290 N -2.83 6.18 0.42 6.55 -1.08 -0.65 -4.90 116.67 120.36 2vak s ASP 290 Ca 0.11 -1.07 0.17 0.00 -0.52 0.00 0.00 52.55 51.24 2vak s ASP 290 Cb 0.17 -2.39 0.92 0.00 -1.46 0.00 0.00 42.92 40.15 2vak s ASP 290 CO 0.77 -1.35 1.89 0.11 0.52 0.00 0.00 175.17 177.11 2vak h LYS 291 N 9.46 0.00 0.17 4.34 1.57 -1.90 -2.39 116.57 127.83 2vak h LYS 291 Ca -0.29 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.22 2vak h LYS 291 Cb 1.07 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.42 2vak h LYS 291 CO 1.16 0.29 -1.18 0.77 -0.57 0.00 0.00 179.45 179.91 2vak h SER 292 N 0.00 0.74 -0.95 0.86 0.02 -1.96 -1.59 113.55 110.67 2vak h SER 292 Ca -0.00 -0.89 0.02 0.00 -0.84 0.00 0.00 61.79 60.07 2vak h SER 292 Cb 0.57 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 2vak h SER 292 CO 0.04 1.57 0.63 -0.25 -1.14 0.00 0.00 176.83 177.67 2vak h TRP 293 N 0.02 1.18 -0.23 3.45 2.91 -1.91 -0.90 115.95 120.47 2vak h TRP 293 Ca -0.20 0.03 -0.17 0.00 1.13 0.00 0.00 58.89 59.68 2vak h TRP 293 Cb 1.91 -0.40 0.00 0.00 -0.51 0.00 0.00 29.16 30.16 2vak h TRP 293 CO 0.15 0.73 -0.53 0.82 -1.03 0.00 0.00 178.44 178.57 2vak h ILE 294 N 1.26 1.29 -0.81 2.65 2.04 -1.44 -0.62 117.51 121.89 2vak h ILE 294 Ca 0.35 -1.74 -0.02 0.00 1.00 0.00 0.00 64.86 64.46 2vak h ILE 294 Cb -0.12 1.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 2vak h ILE 294 CO -0.09 0.55 0.44 0.00 0.00 0.00 0.00 178.15 179.06 2vak h ALA 295 N 0.62 1.04 0.00 1.87 0.00 -1.23 -0.55 119.26 121.01 2vak h ALA 295 Ca -0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2vak h ALA 295 Cb 1.14 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2vak h ALA 295 CO 0.12 0.55 -0.23 0.00 0.00 0.00 0.00 179.25 179.69 2vak h ALA 296 N 1.23 1.47 0.00 0.00 0.00 -1.02 -2.53 119.26 118.42 2vak h ALA 296 Ca 0.28 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 2vak h ALA 296 Cb 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2vak h ALA 296 CO -0.04 0.29 -0.65 0.00 0.00 0.00 0.00 179.25 178.85 2vak h ALA 297 N 1.77 0.69 -0.02 0.00 0.00 -0.28 -2.10 119.26 119.32 2vak h ALA 297 Ca -0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 2vak h ALA 297 Cb 0.45 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2vak h ALA 297 CO 0.03 0.81 -0.14 -0.91 0.00 0.00 0.00 179.25 179.04 2vak h ASN 298 N 0.00 0.15 -0.69 0.00 2.35 -0.85 -2.96 115.58 113.57 2vak h ASN 298 Ca -0.01 -0.71 0.10 0.00 -0.55 0.00 0.00 56.30 55.14 2vak h ASN 298 Cb 1.35 -0.04 -0.08 0.00 0.05 0.00 0.00 38.32 39.60 2vak h ASN 298 CO 0.08 0.83 0.31 -0.07 -1.65 0.00 0.00 177.43 176.93 2vak h LEU 299 N -0.53 0.35 -0.77 1.61 3.38 -1.53 -2.23 115.31 115.58 2vak h LEU 299 Ca -0.01 0.08 0.17 0.00 0.09 0.00 0.00 57.88 58.21 2vak h LEU 299 Cb 0.84 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.50 2vak h LEU 299 CO 0.03 0.19 0.20 0.74 0.09 0.00 0.00 178.44 179.69 2vak h THR 300 N 0.51 0.48 -0.41 0.22 2.02 -1.41 0.16 112.91 114.48 2vak h THR 300 Ca 0.35 -0.09 -0.10 0.00 0.77 0.00 0.00 66.41 67.34 2vak h THR 300 Cb 0.43 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2vak h THR 300 CO -0.31 0.05 -0.14 0.00 0.37 0.00 0.00 175.52 175.49 2vak h ALA 301 N 1.65 0.57 -0.09 6.16 0.00 -1.24 -0.31 119.26 126.00 2vak h ALA 301 Ca 0.45 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2vak h ALA 301 Cb 0.79 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2vak h ALA 301 CO -0.54 0.47 0.06 0.82 0.00 0.00 0.00 179.25 180.07 2vak h ILE 302 N 0.63 1.02 -0.82 0.00 2.04 -0.90 -0.37 117.51 119.12 2vak h ILE 302 Ca 0.10 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 66.00 2vak h ILE 302 Cb 0.68 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 2vak h ILE 302 CO 0.05 0.02 0.47 0.58 0.00 0.00 0.00 178.15 179.27 2vak h VAL 303 N 0.12 0.92 0.06 1.67 2.07 -0.67 -2.98 116.25 117.43 2vak h VAL 303 Ca 0.03 -0.27 -0.24 0.00 0.82 0.00 0.00 66.70 67.04 2vak h VAL 303 Cb -0.01 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.81 2vak h VAL 303 CO -0.01 0.14 -1.07 0.24 0.02 0.00 0.00 177.57 176.90 2vak h MET 304 N 0.79 0.28 -0.97 1.57 2.86 -0.96 -3.28 114.93 115.23 2vak h MET 304 Ca 0.39 -0.38 0.11 0.00 -2.06 0.00 0.00 59.70 57.76 2vak h MET 304 Cb 0.34 0.13 -0.08 0.00 0.06 0.00 0.00 31.60 32.05 2vak h MET 304 CO -0.24 1.12 0.62 0.00 1.06 0.00 0.00 176.91 179.47 2vak h ALA 305 N 0.73 1.58 -0.00 6.32 0.00 -0.91 -2.98 119.26 123.99 2vak h ALA 305 Ca -0.09 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2vak h ALA 305 Cb 1.75 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2vak h ALA 305 CO 0.17 0.20 -0.08 0.00 0.00 0.00 0.00 179.25 179.54 2vak s ARG 307 N -2.65 1.66 -0.47 0.00 1.70 -1.13 -2.78 118.95 115.28 2vak s ARG 307 Ca 0.25 -1.96 -0.20 0.00 -0.47 0.00 0.00 55.73 53.35 2vak s ARG 307 Cb 0.20 -0.11 0.04 0.00 -0.57 0.00 0.00 34.95 34.51 2vak s ARG 307 CO 0.50 -0.48 0.61 -0.65 -1.08 0.00 0.00 175.30 174.20 2vak s GLN 308 N -3.75 3.17 0.72 3.89 -1.52 -0.29 -4.15 119.66 117.73 2vak s GLN 308 Ca 0.35 -0.68 -0.07 0.00 -1.95 0.00 0.00 55.36 53.01 2vak s GLN 308 Cb 0.04 -4.03 0.08 0.00 -0.22 0.00 0.00 33.01 28.88 2vak s GLN 308 CO 0.18 -1.10 1.03 -1.25 -0.25 0.00 0.00 175.29 173.90 2vak s PRO 309 N 2.66 2.06 0.25 2.91 0.04 -1.26 -4.70 135.00 136.95 2vak s PRO 309 Ca 0.18 -0.35 -0.29 0.00 0.04 0.00 0.00 61.00 60.58 2vak s PRO 309 Cb -0.17 -2.17 -0.15 0.00 0.04 0.00 0.00 34.50 32.05 2vak s PRO 309 CO 0.15 -1.32 0.89 -2.30 0.04 0.00 0.00 177.00 174.45 2vak n PRO 310 N -2.95 0.94 -2.58 0.56 -0.02 -1.26 -4.94 135.00 124.74 2vak n PRO 310 Ca 0.09 0.33 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 2vak n PRO 310 Cb 0.60 -1.61 -0.03 0.00 -0.02 0.00 0.00 33.50 32.44 2vak n PRO 310 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2vak s VAL 311 N -0.94 4.39 0.38 -1.45 1.01 -1.26 -4.92 120.40 117.60 2vak s VAL 311 Ca 0.62 1.78 -0.27 0.00 0.00 0.00 0.00 61.98 64.11 2vak s VAL 311 Cb -0.79 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 31.36 2vak s VAL 311 CO 0.58 0.17 1.28 -0.36 0.00 0.00 0.00 175.10 176.77 2vak s PHE 312 N 0.77 2.95 0.39 5.22 0.08 0.57 0.87 117.98 128.83 2vak s PHE 312 Ca 0.54 1.44 -0.27 0.00 0.12 0.00 0.00 56.93 58.75 2vak s PHE 312 Cb -0.25 -3.62 -0.10 0.00 -0.57 0.00 0.00 43.02 38.47 2vak s PHE 312 CO 0.29 -1.86 1.42 0.00 -0.10 0.00 0.00 175.22 174.97 2vak s ALA 313 N -1.24 3.45 0.28 5.36 0.00 0.94 -1.17 121.76 129.39 2vak s ALA 313 Ca 0.54 1.46 0.01 0.00 0.00 0.00 0.00 51.96 53.96 2vak s ALA 313 Cb -0.37 -3.57 0.52 0.00 0.00 0.00 0.00 23.12 19.70 2vak s ALA 313 CO 0.49 -0.98 1.86 -0.91 0.00 0.00 0.00 175.76 176.21 2vak h ASN 314 N 2.89 0.95 0.48 0.00 2.35 -1.53 -1.39 115.58 119.33 2vak h ASN 314 Ca -0.50 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 2vak h ASN 314 Cb 1.24 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.45 2vak h ASN 314 CO 0.64 0.55 0.00 1.67 -1.65 0.00 0.00 177.43 178.63 2vak n GLN 315 N -4.56 0.08 0.14 0.81 7.27 -1.26 -2.19 117.38 117.67 2vak n GLN 315 Ca 0.17 0.38 0.12 0.00 0.07 0.00 0.00 57.00 57.74 2vak n GLN 315 Cb 0.29 -1.68 0.12 0.00 2.41 0.00 0.00 30.24 31.38 2vak n GLN 315 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 2vak h GLY 316 N 1.88 0.00 -2.81 1.69 0.00 -1.61 -3.47 103.07 98.75 2vak h GLY 316 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 2vak h GLY 316 CO 0.00 0.00 -0.73 -1.34 0.00 0.00 0.00 176.54 174.47 2vak s VAL 317 N -3.26 2.88 0.92 4.60 -7.23 -0.93 -4.47 120.40 112.91 2vak s VAL 317 Ca 0.04 -2.01 -0.12 0.00 -1.81 0.00 0.00 61.98 58.08 2vak s VAL 317 Cb 0.09 -2.47 0.08 0.00 0.56 0.00 0.00 36.38 34.63 2vak s VAL 317 CO 0.72 -0.26 0.76 2.30 -0.31 0.00 0.00 175.10 178.30 2vak n ILE 318 N -0.34 0.23 -0.30 -0.62 -5.35 0.43 -4.83 119.36 108.57 2vak n ILE 318 Ca -0.08 -0.13 0.09 0.00 -0.27 0.00 0.00 62.75 62.36 2vak n ILE 318 Cb 0.58 -0.81 0.26 0.00 -1.74 0.00 0.00 39.64 37.92 2vak n ILE 318 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 2vak h ASN 319 N -1.59 0.50 0.59 7.28 2.35 -1.92 -1.58 115.58 121.21 2vak h ASN 319 Ca -0.44 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 2vak h ASN 319 Cb 1.28 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.69 2vak h ASN 319 CO 0.38 0.17 0.00 0.00 -1.65 0.00 0.00 177.43 176.33 2vak n GLN 320 N -4.91 0.08 -0.05 0.81 3.00 -1.26 -2.50 117.38 112.55 2vak n GLN 320 Ca 0.19 0.33 0.11 0.00 -0.01 0.00 0.00 57.00 57.62 2vak n GLN 320 Cb 0.51 -1.65 0.12 0.00 0.00 0.00 0.00 30.24 29.22 2vak n GLN 320 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2vak n ALA 321 N -1.61 2.45 -1.96 -1.58 0.00 -0.60 -4.91 120.51 112.30 2vak n ALA 321 Ca 0.03 -0.77 -0.32 0.00 0.00 0.00 0.00 53.44 52.39 2vak n ALA 321 Cb 0.19 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 2vak n ALA 321 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2vak s GLN 322 N -1.70 3.93 -1.59 0.00 -0.21 -1.04 -4.06 119.66 114.98 2vak s GLN 322 Ca 0.29 0.81 -0.02 0.00 0.02 0.00 0.00 55.36 56.45 2vak s GLN 322 Cb 0.19 -2.24 0.00 0.00 1.00 0.00 0.00 33.01 31.97 2vak s GLN 322 CO 0.28 -0.14 0.30 0.09 -2.12 0.00 0.00 175.29 173.70 2vak n ASN 323 N -1.30 -5.83 -4.49 5.90 3.02 -1.25 -4.97 115.26 106.34 2vak n ASN 323 Ca 0.05 -0.15 -0.43 0.00 -0.03 0.00 0.00 54.58 54.02 2vak n ASN 323 Cb 0.54 -4.75 -0.08 0.00 -0.61 0.00 0.00 39.78 34.88 2vak n ASN 323 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2vak s ARG 324 N -5.33 3.16 -0.29 3.52 6.06 -1.20 -4.96 118.95 119.90 2vak s ARG 324 Ca 0.15 -0.64 -0.41 0.00 -2.50 0.00 0.00 55.73 52.33 2vak s ARG 324 Cb -0.07 -3.97 -0.17 0.00 0.06 0.00 0.00 34.95 30.81 2vak s ARG 324 CO 0.19 -0.92 1.65 -2.30 -2.50 0.00 0.00 175.30 171.42 2vak n PRO 325 N 5.84 0.85 0.00 5.12 -0.02 -1.26 -0.57 135.00 144.95 2vak n PRO 325 Ca -0.05 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2vak n PRO 325 Cb 0.47 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 2vak n PRO 325 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vak n GLY 326 N 3.91 1.91 0.94 -1.23 0.00 -1.26 -4.83 105.19 104.63 2vak n GLY 326 Ca 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.27 2vak n GLY 326 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2vak n PHE 327 N -2.00 0.00 -4.08 1.61 7.35 -0.00 -4.67 117.46 115.67 2vak n PHE 327 Ca 0.00 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.58 2vak n PHE 327 Cb 0.00 -0.07 -0.11 0.00 0.35 0.00 0.00 39.48 39.66 2vak n PHE 327 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2vak s SER 328 N -5.61 0.76 0.01 -2.13 1.04 0.26 -0.32 113.70 107.71 2vak s SER 328 Ca -0.03 -0.74 -0.28 0.00 0.48 0.00 0.00 55.95 55.38 2vak s SER 328 Cb 0.01 0.09 0.09 0.00 0.10 0.00 0.00 66.02 66.31 2vak s SER 328 CO 0.04 -0.36 0.75 0.00 0.98 0.00 0.00 173.24 174.65 2vak s MET 329 N -2.56 1.00 -0.08 4.02 0.23 -0.32 -3.26 119.30 118.33 2vak s MET 329 Ca -0.02 -0.13 -0.30 0.00 -1.03 0.00 0.00 55.69 54.22 2vak s MET 329 Cb -0.03 0.47 -0.05 0.00 -1.53 0.00 0.00 34.83 33.69 2vak s MET 329 CO -0.03 -0.39 1.64 -0.80 -2.03 0.00 0.00 175.02 173.41 2vak s ASN 330 N -1.98 6.62 0.00 -1.18 0.01 -1.26 -1.28 114.94 115.87 2vak s ASN 330 Ca -0.02 2.13 0.00 0.00 -0.71 0.00 0.00 52.86 54.26 2vak s ASN 330 Cb -0.01 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.12 2vak s ASN 330 CO -0.03 -0.98 0.00 0.61 -1.51 0.00 0.00 177.10 175.19 2vak n GLY 331 N 4.20 0.97 1.00 0.66 0.00 -1.26 -4.99 105.19 105.78 2vak n GLY 331 Ca 0.17 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 2vak n GLY 331 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vak n GLY 332 N -2.05 -2.26 3.70 -0.02 0.00 -1.10 -4.89 105.19 98.56 2vak n GLY 332 Ca 0.00 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 2vak n GLY 332 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vak s THR 333 N -1.61 4.08 0.63 2.61 2.01 0.25 -4.01 115.64 119.60 2vak s THR 333 Ca 0.20 1.47 -0.17 0.00 0.31 0.00 0.00 61.69 63.50 2vak s THR 333 Cb -0.02 -3.94 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 2vak s THR 333 CO 0.15 0.08 1.16 -2.84 -0.69 0.00 0.00 174.62 172.47 2vak s PRO 334 N 1.45 2.85 -0.42 4.92 0.02 -1.26 -0.04 135.00 142.51 2vak s PRO 334 Ca 0.58 1.61 -0.13 0.00 0.02 0.00 0.00 61.00 63.08 2vak s PRO 334 Cb -0.28 -1.94 0.04 0.00 0.02 0.00 0.00 34.50 32.34 2vak s PRO 334 CO 0.27 -1.25 0.30 0.08 -0.33 0.00 0.00 177.00 176.06 2vak s VAL 335 N -1.97 4.97 0.46 3.83 1.01 -1.26 -3.97 120.40 123.47 2vak s VAL 335 Ca 0.72 -0.89 -0.21 0.00 0.00 0.00 0.00 61.98 61.60 2vak s VAL 335 Cb -0.25 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 2vak s VAL 335 CO 0.37 -0.38 1.04 -1.00 0.00 0.00 0.00 175.10 175.12 2vak s HIS 336 N 1.61 3.08 0.07 5.22 3.76 -0.01 -4.88 115.29 124.14 2vak s HIS 336 Ca 0.04 1.60 0.09 0.00 -0.15 0.00 0.00 55.06 56.63 2vak s HIS 336 Cb -0.21 -3.07 -0.03 0.00 1.11 0.00 0.00 32.58 30.38 2vak s HIS 336 CO 0.07 -0.74 -0.23 -1.83 -0.85 0.00 0.00 174.74 171.16 2vak s GLU 337 N -3.04 1.45 -0.14 1.40 -1.05 -1.26 0.47 118.70 116.52 2vak s GLU 337 Ca 0.65 -1.09 0.00 0.00 -0.15 0.00 0.00 54.97 54.38 2vak s GLU 337 Cb -0.17 -1.67 0.02 0.00 -0.44 0.00 0.00 34.13 31.87 2vak s GLU 337 CO 0.21 0.42 -0.13 -0.51 0.95 0.00 0.00 175.26 176.20 2vak s LEU 338 N -1.47 1.63 -0.06 1.83 1.43 0.41 -3.83 118.68 118.63 2vak s LEU 338 Ca 0.09 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.44 2vak s LEU 338 Cb -0.10 -1.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.95 2vak s LEU 338 CO 0.03 -0.06 1.49 0.21 0.23 0.00 0.00 176.35 178.25 2vak s ASN 339 N 1.47 6.78 0.24 2.29 3.84 -1.26 -0.38 114.94 127.92 2vak s ASN 339 Ca 0.04 2.09 -0.04 0.00 0.21 0.00 0.00 52.86 55.16 2vak s ASN 339 Cb -0.13 -2.54 0.27 0.00 -0.55 0.00 0.00 41.25 38.29 2vak s ASN 339 CO -0.10 -0.82 1.72 -0.07 -2.79 0.00 0.00 177.10 175.05 2vak h LEU 340 N 9.44 0.82 0.15 3.21 3.38 -1.95 -2.30 115.31 128.07 2vak h LEU 340 Ca -0.36 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 2vak h LEU 340 Cb 1.16 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2vak h LEU 340 CO 0.94 0.90 -0.07 0.25 0.09 0.00 0.00 178.44 180.55 2vak h LEU 341 N 0.78 -0.17 -0.98 1.67 5.85 -1.97 -1.19 115.31 119.29 2vak h LEU 341 Ca 0.15 -0.30 0.31 0.00 0.84 0.00 0.00 57.88 58.87 2vak h LEU 341 Cb 0.50 0.04 -0.15 0.00 0.37 0.00 0.00 40.66 41.43 2vak h LEU 341 CO 0.03 0.24 0.51 0.74 -0.34 0.00 0.00 178.44 179.62 2vak h THR 342 N -0.62 0.29 -0.10 1.05 2.02 -1.97 -0.38 112.91 113.20 2vak h THR 342 Ca -0.02 -0.10 -0.16 0.00 0.77 0.00 0.00 66.41 66.90 2vak h THR 342 Cb 0.47 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.85 2vak h THR 342 CO 0.03 0.05 -0.55 0.74 0.37 0.00 0.00 175.52 176.17 2vak h THR 343 N 0.29 1.36 -0.55 3.16 2.02 -1.23 -0.07 112.91 117.90 2vak h THR 343 Ca 0.71 -1.87 0.06 0.00 0.77 0.00 0.00 66.41 66.09 2vak h THR 343 Cb 1.60 2.21 -0.06 0.00 -1.74 0.00 0.00 68.15 70.16 2vak h THR 343 CO -0.62 0.56 0.24 0.00 0.37 0.00 0.00 175.52 176.07 2vak h ALA 344 N 0.47 0.70 -0.49 6.16 0.00 -0.42 0.44 119.26 126.11 2vak h ALA 344 Ca -0.04 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2vak h ALA 344 Cb 1.20 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2vak h ALA 344 CO 0.11 -0.13 0.30 1.96 0.00 0.00 0.00 179.25 181.49 2vak h GLN 345 N 0.46 0.67 -0.40 0.00 4.20 -0.98 -1.61 115.11 117.45 2vak h GLN 345 Ca 0.26 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.79 2vak h GLN 345 Cb 0.23 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2vak h GLN 345 CO -0.22 0.48 -0.21 0.93 -0.67 0.00 0.00 178.83 179.15 2vak h GLU 346 N 0.66 0.85 -0.21 1.46 4.39 -0.58 -1.43 114.58 119.72 2vak h GLU 346 Ca 0.18 -0.38 0.06 0.00 0.34 0.00 0.00 59.36 59.56 2vak h GLU 346 Cb -0.02 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.55 2vak h GLU 346 CO -0.03 1.02 -0.25 0.00 -1.16 0.00 0.00 179.01 178.58 2vak h ILE 348 N -0.28 1.08 -0.75 0.00 2.04 -1.10 -1.46 117.51 117.04 2vak h ILE 348 Ca 0.13 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 2vak h ILE 348 Cb 0.47 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 2vak h ILE 348 CO -0.37 0.19 0.28 -0.09 0.00 0.00 0.00 178.15 178.17 2vak h ARG 349 N 1.06 1.13 -0.65 2.37 2.43 -0.75 -1.55 114.38 118.42 2vak h ARG 349 Ca 0.39 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 2vak h ARG 349 Cb 0.18 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 2vak h ARG 349 CO -0.15 0.92 0.24 1.96 -1.51 0.00 0.00 179.97 181.43 2vak h GLN 350 N 1.09 0.97 -0.34 0.20 1.08 -0.21 -2.05 115.11 115.85 2vak h GLN 350 Ca 0.25 -0.17 -0.13 0.00 -1.45 0.00 0.00 58.65 57.14 2vak h GLN 350 Cb 0.23 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2vak h GLN 350 CO -0.02 0.81 -0.33 -1.49 -0.95 0.00 0.00 178.83 176.85 2vak h TRP 351 N 0.95 0.87 -0.13 2.96 6.55 -0.84 -0.75 115.95 125.55 2vak h TRP 351 Ca 0.22 -0.24 -0.02 0.00 0.95 0.00 0.00 58.89 59.80 2vak h TRP 351 Cb 0.22 -0.19 -0.00 0.00 -0.86 0.00 0.00 29.16 28.32 2vak h TRP 351 CO 0.02 0.98 0.01 0.28 -1.05 0.00 0.00 178.44 178.67 2vak h VAL 352 N 0.63 1.24 -0.47 1.49 2.07 -1.28 0.11 116.25 120.03 2vak h VAL 352 Ca 0.07 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 2vak h VAL 352 Cb 0.87 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 2vak h VAL 352 CO 0.08 0.22 0.23 0.24 0.02 0.00 0.00 177.57 178.36 2vak h MET 353 N -0.02 0.66 0.00 1.57 2.86 -1.29 -1.24 114.93 117.46 2vak h MET 353 Ca 0.04 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2vak h MET 353 Cb 0.34 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.86 2vak h MET 353 CO 0.00 0.51 0.00 0.00 1.06 0.00 0.00 176.91 178.49 2vak n ALA 354 N -2.46 2.22 -1.10 6.32 0.00 -0.30 -4.89 120.51 120.30 2vak n ALA 354 Ca 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.34 2vak n ALA 354 Cb 0.12 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.14 2vak n ALA 354 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vak n GLY 355 N 1.02 0.65 0.11 0.00 0.00 -0.47 -4.94 105.19 101.56 2vak n GLY 355 Ca 0.09 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 2vak n GLY 355 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2vak h LEU 356 N 0.00 0.23 -8.66 0.99 3.38 -0.98 -3.45 115.31 106.82 2vak h LEU 356 Ca -0.07 -0.21 -0.33 0.00 0.09 0.00 0.00 57.88 57.36 2vak h LEU 356 Cb 0.25 -0.07 -0.15 0.00 0.09 0.00 0.00 40.66 40.78 2vak h LEU 356 CO 0.10 1.07 -0.71 0.68 0.09 0.00 0.00 178.44 179.67 2vak s VAL 357 N -3.00 1.17 0.86 1.22 -7.23 -1.06 -5.01 120.40 107.35 2vak s VAL 357 Ca -0.02 -2.06 -0.11 0.00 -1.81 0.00 0.00 61.98 57.98 2vak s VAL 357 Cb 0.10 -1.86 0.11 0.00 0.56 0.00 0.00 36.38 35.28 2vak s VAL 357 CO 0.84 -0.73 1.10 -0.94 -0.31 0.00 0.00 175.10 175.05 2vak s SER 358 N -3.17 3.74 0.44 4.85 1.04 -1.26 -4.42 113.70 114.91 2vak s SER 358 Ca 0.17 1.72 0.15 0.00 0.48 0.00 0.00 55.95 58.47 2vak s SER 358 Cb 0.03 -2.37 1.00 0.00 0.10 0.00 0.00 66.02 64.78 2vak s SER 358 CO 0.01 -2.51 1.97 0.00 0.98 0.00 0.00 173.24 173.70 2vak h ALA 359 N -1.46 1.61 -0.12 5.32 0.00 -1.98 -1.18 119.26 121.45 2vak h ALA 359 Ca -0.47 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.04 2vak h ALA 359 Cb 1.26 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.03 2vak h ALA 359 CO 0.51 0.26 -0.81 0.00 0.00 0.00 0.00 179.25 179.21 2vak h ALA 360 N 1.80 0.35 0.00 0.00 0.00 -2.00 -2.84 119.26 116.56 2vak h ALA 360 Ca -0.00 -0.62 -0.08 0.00 0.00 0.00 0.00 54.91 54.22 2vak h ALA 360 Cb 0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2vak h ALA 360 CO 0.03 0.70 -0.36 -0.22 0.00 0.00 0.00 179.25 179.40 2vak h LYS 361 N 0.47 0.00 -0.98 0.00 3.64 -1.84 -2.36 116.57 115.50 2vak h LYS 361 Ca -0.06 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2vak h LYS 361 Cb 1.43 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.20 2vak h LYS 361 CO 0.16 0.36 0.65 0.78 -2.27 0.00 0.00 179.45 179.13 2vak h GLY 362 N 1.79 1.38 1.14 5.01 0.00 -1.17 -2.06 103.07 109.16 2vak h GLY 362 Ca -0.00 -0.52 -0.20 0.00 0.00 0.00 0.00 47.33 46.60 2vak h GLY 362 CO 0.05 0.51 -0.67 1.46 0.00 0.00 0.00 176.54 177.88 2vak h GLN 363 N 1.33 0.81 -0.25 4.80 4.20 -1.22 -0.47 115.11 124.31 2vak h GLN 363 Ca 0.36 -0.60 0.04 0.00 0.06 0.00 0.00 58.65 58.51 2vak h GLN 363 Cb -0.15 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.70 2vak h GLN 363 CO -0.08 1.22 0.02 0.00 -0.67 0.00 0.00 178.83 179.32 2vak h ALA 364 N 0.59 0.23 -0.42 3.87 0.00 -1.39 -1.05 119.26 121.10 2vak h ALA 364 Ca -0.03 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2vak h ALA 364 Cb 1.30 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 2vak h ALA 364 CO 0.14 -0.40 0.19 -0.07 0.00 0.00 0.00 179.25 179.11 2vak h LEU 365 N 0.10 0.56 -0.58 0.00 3.38 -1.23 -0.59 115.31 116.96 2vak h LEU 365 Ca 0.12 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2vak h LEU 365 Cb 0.14 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2vak h LEU 365 CO -0.18 0.55 0.31 0.74 0.09 0.00 0.00 178.44 179.95 2vak h THR 366 N 0.53 0.98 -0.73 0.22 2.02 -0.94 -0.57 112.91 114.42 2vak h THR 366 Ca 0.14 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 67.06 2vak h THR 366 Cb 0.15 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 2vak h THR 366 CO -0.02 0.11 0.23 -0.61 0.37 0.00 0.00 175.52 175.61 2vak h GLN 367 N 0.60 1.13 -0.11 6.66 5.75 -0.67 0.31 115.11 128.78 2vak h GLN 367 Ca 0.25 -0.24 -0.12 0.00 -0.15 0.00 0.00 58.65 58.40 2vak h GLN 367 Cb 0.13 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 2vak h GLN 367 CO -0.15 0.96 -0.45 0.93 -2.65 0.00 0.00 178.83 177.46 2vak h GLU 368 N 1.09 0.27 0.51 1.69 5.08 -0.85 0.14 114.58 122.50 2vak h GLU 368 Ca 0.24 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2vak h GLU 368 Cb 0.30 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.55 2vak h GLU 368 CO -0.01 0.67 -0.25 0.00 -1.00 0.00 0.00 179.01 178.43 2vak h ALA 369 N 1.31 -0.69 -0.94 3.43 0.00 -0.66 -1.33 119.26 120.39 2vak h ALA 369 Ca 0.02 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 54.91 2vak h ALA 369 Cb 0.89 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 2vak h ALA 369 CO 0.07 -0.76 0.52 -0.91 0.00 0.00 0.00 179.25 178.18 2vak h ASN 370 N -0.95 0.64 -0.22 0.00 2.35 -0.36 -0.11 115.58 116.93 2vak h ASN 370 Ca -0.07 0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.72 2vak h ASN 370 Cb 0.61 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 2vak h ASN 370 CO 0.12 0.23 -0.10 0.44 -1.65 0.00 0.00 177.43 176.46 2vak h ASP 371 N 0.67 0.46 -0.71 5.81 3.32 -0.74 -2.53 116.42 122.71 2vak h ASP 371 Ca 0.54 -0.41 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 2vak h ASP 371 Cb 0.83 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 2vak h ASP 371 CO -0.39 0.76 0.27 0.15 -1.72 0.00 0.00 179.24 178.31 2vak h PHE 372 N 0.15 1.12 0.00 4.55 3.57 -0.68 -2.65 116.94 123.00 2vak h PHE 372 Ca 0.05 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 2vak h PHE 372 Cb 0.59 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2vak h PHE 372 CO 0.06 0.86 -0.22 1.03 -2.23 0.00 0.00 178.31 177.82 2vak h SER 373 N 1.06 0.00 0.03 0.41 0.87 -1.00 -1.92 113.55 113.01 2vak h SER 373 Ca 0.24 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2vak h SER 373 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2vak h SER 373 CO -0.02 0.22 -0.01 -1.13 -0.53 0.00 0.00 176.83 175.36 2vak h ASN 374 N 0.00 -0.03 0.05 6.23 -1.24 -1.09 0.25 115.58 119.74 2vak h ASN 374 Ca -0.00 -0.29 -0.01 0.00 0.71 0.00 0.00 56.30 56.71 2vak h ASN 374 Cb 0.43 0.01 -0.00 0.00 0.73 0.00 0.00 38.32 39.49 2vak h ASN 374 CO 0.03 0.27 -0.05 -0.07 -1.29 0.00 0.00 177.43 176.32 2vak h LEU 375 N -0.33 0.00 0.22 0.34 3.38 -1.30 -2.59 115.31 115.03 2vak h LEU 375 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 2vak h LEU 375 Cb 0.32 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.09 2vak h LEU 375 CO 0.01 0.05 -1.45 0.40 0.09 0.00 0.00 178.44 177.53 2vak h ILE 376 N 0.00 1.21 -0.67 1.22 1.08 -1.27 -2.12 117.51 116.97 2vak h ILE 376 Ca -0.00 -2.61 0.10 0.00 -0.39 0.00 0.00 64.86 61.96 2vak h ILE 376 Cb 0.08 2.98 -0.08 0.00 -3.07 0.00 0.00 36.82 36.74 2vak h ILE 376 CO 0.01 0.80 0.28 1.56 -0.69 0.00 0.00 178.15 180.10 2vak h GLN 377 N 0.03 0.45 -0.27 2.37 4.20 -0.90 -0.03 115.11 120.97 2vak h GLN 377 Ca -0.27 -0.03 -0.18 0.00 0.06 0.00 0.00 58.65 58.23 2vak h GLN 377 Cb 2.05 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.73 2vak h GLN 377 CO 0.22 0.30 -0.54 0.00 -0.67 0.00 0.00 178.83 178.14 2vak h ALA 378 N 1.45 0.43 -0.19 3.87 0.00 -1.54 0.23 119.26 123.50 2vak h ALA 378 Ca 0.34 -0.51 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 2vak h ALA 378 Cb 0.42 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2vak h ALA 378 CO -0.32 0.64 -0.61 0.22 0.00 0.00 0.00 179.25 179.19 2vak h ASP 379 N 0.61 0.74 -0.03 0.00 1.82 -1.11 -2.04 116.42 116.42 2vak h ASP 379 Ca 0.01 -0.42 -0.25 0.00 -0.39 0.00 0.00 57.03 55.97 2vak h ASP 379 Cb 1.15 -0.22 0.02 0.00 0.68 0.00 0.00 39.33 40.96 2vak h ASP 379 CO 0.12 1.18 -0.96 -0.07 -1.61 0.00 0.00 179.24 177.90 2vak h LEU 380 N 0.49 0.91 -1.19 2.28 3.38 -1.05 -2.48 115.31 117.65 2vak h LEU 380 Ca -0.00 -0.68 0.13 0.00 0.09 0.00 0.00 57.88 57.42 2vak h LEU 380 Cb 1.19 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 2vak h LEU 380 CO 0.12 1.48 0.59 1.23 0.09 0.00 0.00 178.44 181.95 2vak h GLY 381 N 0.50 1.35 1.21 0.83 0.00 -0.49 0.32 103.07 106.79 2vak h GLY 381 Ca -0.10 -0.34 -0.30 0.00 0.00 0.00 0.00 47.33 46.58 2vak h GLY 381 CO 0.19 0.12 -1.26 -1.61 0.00 0.00 0.00 176.54 173.98 2vak h GLN 382 N 0.80 0.61 -0.27 4.80 4.15 -1.38 -1.78 115.11 122.04 2vak h GLN 382 Ca 0.46 -0.84 0.05 0.00 0.77 0.00 0.00 58.65 59.09 2vak h GLN 382 Cb 0.63 0.28 -0.04 0.00 0.21 0.00 0.00 27.48 28.56 2vak h GLN 382 CO -0.22 1.39 -0.01 0.82 -1.93 0.00 0.00 178.83 178.88 2vak h ILE 383 N 0.24 0.80 0.09 2.39 2.04 -1.15 -0.73 117.51 121.20 2vak h ILE 383 Ca -0.20 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.66 2vak h ILE 383 Cb 1.94 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 38.69 2vak h ILE 383 CO 0.24 0.01 -0.48 0.50 0.00 0.00 0.00 178.15 178.42 2vak h LYS 384 N 0.07 -0.67 -0.17 2.37 3.64 -0.38 -1.73 116.57 119.70 2vak h LYS 384 Ca 0.13 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.58 2vak h LYS 384 Cb 0.17 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 2vak h LYS 384 CO -0.22 -0.45 -0.01 0.00 -2.27 0.00 0.00 179.45 176.50 2vak h ALA 385 N -0.34 0.14 -0.81 5.00 0.00 -1.16 0.53 119.26 122.62 2vak h ALA 385 Ca 0.01 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.05 2vak h ALA 385 Cb 0.72 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 2vak h ALA 385 CO -0.29 -0.45 0.47 1.96 0.00 0.00 0.00 179.25 180.95 2vak h GLN 386 N 0.05 0.80 -0.11 0.00 4.20 -1.17 -2.07 115.11 116.81 2vak h GLN 386 Ca 0.08 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 2vak h GLN 386 Cb 0.10 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 2vak h GLN 386 CO -0.14 0.53 -0.09 -0.44 -0.67 0.00 0.00 178.83 178.02 2vak h ASP 387 N 0.82 0.27 -0.63 1.46 5.19 -0.62 0.12 116.42 123.03 2vak h ASP 387 Ca 0.38 -0.46 0.08 0.00 -0.62 0.00 0.00 57.03 56.41 2vak h ASP 387 Cb 0.29 -0.07 -0.07 0.00 0.18 0.00 0.00 39.33 39.66 2vak h ASP 387 CO -0.22 0.67 0.29 0.44 -3.12 0.00 0.00 179.24 177.29 2vak h ASP 388 N -0.13 0.36 0.59 6.45 5.19 -0.91 0.47 116.42 128.44 2vak h ASP 388 Ca 0.02 0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.46 2vak h ASP 388 Cb 0.58 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.10 2vak h ASP 388 CO 0.02 0.22 -0.28 0.00 -3.12 0.00 0.00 179.24 176.07 2vak h ALA 389 N 1.39 -0.80 -0.17 3.45 0.00 -1.33 -2.84 119.26 118.97 2vak h ALA 389 Ca 0.31 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2vak h ALA 389 Cb 0.32 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2vak h ALA 389 CO -0.26 -0.81 -0.02 -0.07 0.00 0.00 0.00 179.25 178.09 2vak h LEU 390 N -1.06 0.22 -0.68 0.00 3.38 -0.86 -2.46 115.31 113.84 2vak h LEU 390 Ca -0.08 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 2vak h LEU 390 Cb 0.67 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2vak h LEU 390 CO 0.13 0.29 -0.04 0.22 0.09 0.00 0.00 178.44 179.13 2vak h TYR 391 N 0.24 1.07 0.00 1.13 5.03 -0.10 0.20 116.97 124.54 2vak h TYR 391 Ca 0.06 -0.19 -0.01 0.00 2.58 0.00 0.00 58.73 61.17 2vak h TYR 391 Cb 0.20 -0.28 -0.00 0.00 1.55 0.00 0.00 36.73 38.20 2vak h TYR 391 CO 0.00 0.97 -0.05 -0.91 -1.32 0.00 0.00 178.16 176.86 2vak h ASN 392 N 0.89 0.00 0.00 -2.11 2.35 -1.20 -3.40 115.58 112.11 2vak h ASN 392 Ca 0.16 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.88 2vak h ASN 392 Cb 0.57 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 2vak h ASN 392 CO 0.03 0.05 -1.12 0.00 -1.65 0.00 0.00 177.43 174.74 2vak n GLN 393 N -3.13 0.37 -3.32 0.81 6.02 -0.97 -4.96 117.38 112.21 2vak n GLN 393 Ca 0.02 0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.60 2vak n GLN 393 Cb 0.46 -1.04 -0.09 0.00 1.02 0.00 0.00 30.24 30.59 2vak n GLN 393 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2vak s GLN 394 N -2.04 3.29 0.36 -1.09 0.74 0.70 -5.05 119.66 116.58 2vak s GLN 394 Ca -0.03 -0.57 -0.28 0.00 0.05 0.00 0.00 55.36 54.53 2vak s GLN 394 Cb 0.01 -3.90 -0.10 0.00 1.10 0.00 0.00 33.01 30.11 2vak s GLN 394 CO 0.05 -0.75 1.39 -2.14 -0.55 0.00 0.00 175.29 173.28 2vak s PRO 395 N 2.19 4.19 -1.02 1.67 0.02 -1.26 -2.66 135.00 138.12 2vak s PRO 395 Ca 0.14 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.52 2vak s PRO 395 Cb -0.16 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.38 2vak s PRO 395 CO 0.13 -0.39 0.00 0.41 -0.33 0.00 0.00 177.00 176.83 2vak n GLY 396 N 0.64 0.80 3.73 0.52 0.00 -1.26 -5.00 105.19 104.62 2vak n GLY 396 Ca 0.01 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 2vak n GLY 396 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2vak s TYR 397 N -2.42 3.37 -0.38 1.61 5.04 -1.09 -4.56 117.35 118.93 2vak s TYR 397 Ca 0.00 1.33 -0.15 0.00 -2.44 0.00 0.00 57.07 55.81 2vak s TYR 397 Cb 0.00 -3.49 0.00 0.00 0.35 0.00 0.00 41.96 38.82 2vak s TYR 397 CO 0.00 -1.46 0.34 0.00 -1.34 0.00 0.00 175.55 173.08 2vak s ALA 398 N 0.15 3.48 0.48 3.97 0.00 -1.26 -3.71 121.76 124.87 2vak s ALA 398 Ca 0.55 -1.45 -0.23 0.00 0.00 0.00 0.00 51.96 50.83 2vak s ALA 398 Cb -0.34 -2.86 -0.07 0.00 0.00 0.00 0.00 23.12 19.85 2vak s ALA 398 CO 0.36 -1.28 1.24 1.03 0.00 0.00 0.00 175.76 177.11 2vak s ARG 399 N 1.90 3.59 0.02 0.00 0.52 -0.15 -4.95 118.95 119.87 2vak s ARG 399 Ca 0.09 1.97 0.22 0.00 -0.52 0.00 0.00 55.73 57.49 2vak s ARG 399 Cb -0.17 -2.41 -0.20 0.00 0.52 0.00 0.00 34.95 32.69 2vak s ARG 399 CO 0.11 -0.74 0.74 0.54 0.02 0.00 0.00 175.30 175.97 2vak n ARG 400 N -0.57 0.44 -3.70 3.54 1.74 -1.26 -4.93 116.66 111.92 2vak n ARG 400 Ca 0.08 -0.08 -0.10 0.00 -0.77 0.00 0.00 57.85 56.97 2vak n ARG 400 Cb 0.46 -1.56 -0.06 0.00 -1.02 0.00 0.00 32.46 30.29 2vak n ARG 400 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2vak s ILE 401 N -3.33 0.08 0.38 0.55 -4.36 -1.26 -4.54 121.20 108.72 2vak s ILE 401 Ca -0.01 -0.70 -0.27 0.00 -0.26 0.00 0.00 60.65 59.41 2vak s ILE 401 Cb 0.14 -1.15 -0.11 0.00 1.25 0.00 0.00 42.46 42.59 2vak s ILE 401 CO 0.87 -0.39 1.33 1.17 0.24 0.00 0.00 174.94 178.16 2vak n LYS 402 N -0.01 2.18 -1.92 0.37 4.81 -1.26 -4.93 118.16 117.40 2vak n LYS 402 Ca -0.16 0.77 -0.39 0.00 -0.87 0.00 0.00 58.31 57.65 2vak n LYS 402 Cb 0.62 -2.42 0.01 0.00 0.02 0.00 0.00 35.03 33.26 2vak n LYS 402 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2vak s PRO 403 N -2.04 3.70 0.26 1.64 0.02 -1.26 -5.04 135.00 132.28 2vak s PRO 403 Ca 0.57 2.24 0.03 0.00 0.02 0.00 0.00 61.00 63.86 2vak s PRO 403 Cb -0.53 -2.61 -0.04 0.00 0.02 0.00 0.00 34.50 31.35 2vak s PRO 403 CO 0.61 -0.74 0.19 -0.59 -0.33 0.00 0.00 177.00 176.13 2vak s PHE 404 N -1.27 1.44 0.15 6.54 -0.71 -1.26 -5.00 117.98 117.88 2vak s PHE 404 Ca 0.61 -1.48 0.09 0.00 -1.04 0.00 0.00 56.93 55.12 2vak s PHE 404 Cb -0.40 -0.66 -0.04 0.00 -1.21 0.00 0.00 43.02 40.71 2vak s PHE 404 CO 0.50 -0.70 -0.16 0.14 -1.34 0.00 0.00 175.22 173.66 2vak s VAL 405 N -3.82 2.89 0.52 -2.49 -7.23 -1.26 -5.03 120.40 103.97 2vak s VAL 405 Ca 0.39 -1.66 0.25 0.00 -1.81 0.00 0.00 61.98 59.16 2vak s VAL 405 Cb 0.05 -2.38 0.31 0.00 0.56 0.00 0.00 36.38 34.92 2vak s VAL 405 CO 0.18 -0.02 2.17 0.78 -0.31 0.00 0.00 175.10 177.90 2vak h ASN 406 N 3.32 0.00 0.39 4.85 2.35 -2.03 -2.27 115.58 122.20 2vak h ASN 406 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 2vak h ASN 406 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 2vak h ASN 406 CO 0.49 0.05 0.00 0.61 -1.65 0.00 0.00 177.43 176.94 2vak n GLY 407 N -1.16 -0.90 0.16 2.83 0.00 -1.26 -2.63 105.19 102.23 2vak n GLY 407 Ca -0.03 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.09 2vak n GLY 407 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2vak h ASP 408 N 0.00 0.00 1.12 1.61 3.32 -1.72 -2.23 116.42 118.51 2vak h ASP 408 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2vak h ASP 408 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2vak h ASP 408 CO 0.00 0.00 0.00 0.79 -1.72 0.00 0.00 179.24 178.31 2vak n TRP 409 N -2.44 0.28 -1.42 4.55 7.02 -1.08 -3.68 117.44 120.67 2vak n TRP 409 Ca 0.02 0.08 -0.31 0.00 -1.02 0.00 0.00 57.50 56.28 2vak n TRP 409 Cb 0.29 -0.63 0.08 0.00 -2.42 0.00 0.00 31.31 28.62 2vak n TRP 409 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2vak s THR 410 N -3.03 3.57 0.36 -0.99 -4.23 -0.84 -4.94 115.64 105.53 2vak s THR 410 Ca 0.13 0.51 0.11 0.00 -1.18 0.00 0.00 61.69 61.26 2vak s THR 410 Cb 0.17 -3.13 0.34 0.00 1.34 0.00 0.00 72.50 71.21 2vak s THR 410 CO 0.54 -0.66 1.81 -0.65 -0.54 0.00 0.00 174.62 175.12 2vak h PRO 411 N -0.97 0.59 0.00 3.99 0.11 -1.89 -3.45 132.00 130.38 2vak h PRO 411 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2vak h PRO 411 Cb 1.23 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2vak h PRO 411 CO 0.55 0.39 0.00 0.41 -0.21 0.00 0.00 178.00 179.14 2vak n GLY 412 N -1.42 2.58 1.49 -0.55 0.00 -1.26 -2.54 105.19 103.50 2vak n GLY 412 Ca 0.22 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 2vak n GLY 412 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2vak n MET 413 N 14.00 2.31 -0.25 1.61 2.81 -1.26 -4.60 117.12 131.74 2vak n MET 413 Ca 0.00 -1.67 0.04 0.00 -1.81 0.00 0.00 57.70 54.26 2vak n MET 413 Cb 0.00 -1.76 0.15 0.00 -0.71 0.00 0.00 33.22 30.89 2vak n MET 413 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2vak h THR 414 N 1.25 0.37 -0.87 2.03 2.02 -1.59 -1.82 112.91 114.31 2vak h THR 414 Ca 0.20 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.36 2vak h THR 414 Cb 1.71 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 68.33 2vak h THR 414 CO 0.46 0.02 0.57 0.00 0.37 0.00 0.00 175.52 176.94 2vak h ALA 415 N 1.68 1.41 -0.69 6.16 0.00 -1.86 -0.59 119.26 125.36 2vak h ALA 415 Ca 0.39 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 2vak h ALA 415 Cb 0.68 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2vak h ALA 415 CO -0.64 0.53 0.32 1.96 0.00 0.00 0.00 179.25 181.42 2vak h GLN 416 N 1.14 1.00 -0.49 0.00 7.50 -1.70 -2.12 115.11 120.44 2vak h GLN 416 Ca 0.33 -0.16 -0.12 0.00 0.50 0.00 0.00 58.65 59.20 2vak h GLN 416 Cb -0.07 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.27 2vak h GLN 416 CO -0.08 0.80 -0.19 0.00 -1.50 0.00 0.00 178.83 177.86 2vak h ALA 417 N 1.15 0.75 -0.29 3.87 0.00 -1.06 -2.08 119.26 121.59 2vak h ALA 417 Ca 0.24 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 2vak h ALA 417 Cb 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2vak h ALA 417 CO -0.03 0.67 -0.10 -0.07 0.00 0.00 0.00 179.25 179.72 2vak h LEU 418 N 0.84 0.47 -0.23 0.00 3.38 -0.97 -0.69 115.31 118.12 2vak h LEU 418 Ca 0.12 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2vak h LEU 418 Cb 0.75 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2vak h LEU 418 CO 0.06 0.61 -0.49 0.00 0.09 0.00 0.00 178.44 178.71 2vak h ALA 419 N 1.44 0.36 0.06 1.53 0.00 -1.28 -2.11 119.26 119.26 2vak h ALA 419 Ca 0.09 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2vak h ALA 419 Cb 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2vak h ALA 419 CO 0.03 0.53 -0.03 0.28 0.00 0.00 0.00 179.25 180.06 2vak h VAL 420 N 0.46 1.06 0.00 0.00 2.07 -1.26 -3.13 116.25 115.44 2vak h VAL 420 Ca 0.00 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 2vak h VAL 420 Cb 1.10 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.19 2vak h VAL 420 CO 0.11 0.10 -0.04 -0.07 0.02 0.00 0.00 177.57 177.69 2vak h LEU 421 N -0.26 0.00 -1.45 2.57 3.38 -1.15 -2.00 115.31 116.40 2vak h LEU 421 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2vak h LEU 421 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2vak h LEU 421 CO 0.01 0.04 -0.20 0.00 0.09 0.00 0.00 178.44 178.39 2vak h ALA 422 N 1.96 1.13 0.00 1.53 0.00 -1.32 -2.31 119.26 120.25 2vak h ALA 422 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2vak h ALA 422 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2vak h ALA 422 CO 0.01 0.24 0.00 0.25 0.00 0.00 0.00 179.25 179.75 2vak n THR 423 N -3.51 0.02 1.36 0.00 -2.24 -0.75 -3.92 114.28 105.24 2vak n THR 423 Ca -0.01 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 2vak n THR 423 Cb 0.35 -0.56 0.59 0.00 -2.10 0.00 0.00 70.33 68.61 2vak n THR 423 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2vak n PHE 424 N -1.04 0.00 0.98 4.78 3.01 -0.87 -2.43 117.46 121.89 2vak n PHE 424 Ca 0.20 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.78 2vak n PHE 424 Cb 0.11 -0.20 0.16 0.00 -0.01 0.00 0.00 39.48 39.54 2vak n PHE 424 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 2vak n THR 425 N -1.00 0.05 0.36 4.37 -1.04 -1.25 -4.84 114.28 110.93 2vak n THR 425 Ca 0.14 -0.50 0.04 0.00 -2.04 0.00 0.00 64.05 61.69 2vak n THR 425 Cb 0.28 1.34 0.04 0.00 -1.82 0.00 0.00 70.33 70.17 2vak n THR 425 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43