#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vak h GLU 6 N 0.00 0.00 0.00 -1.46 4.11 -2.04 -3.25 114.58 111.93 2vak h GLU 6 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2vak h GLU 6 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2vak h GLU 6 CO 0.00 0.00 -1.07 1.19 0.07 0.00 0.00 179.01 179.20 2vak n PHE 7 N -2.65 0.60 -2.61 2.06 3.72 -1.26 -4.86 117.46 112.46 2vak n PHE 7 Ca 0.02 0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 2vak n PHE 7 Cb 0.51 -0.72 0.00 0.00 -0.94 0.00 0.00 39.48 38.33 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 1.26 -0.80 3.22 1.37 0.00 -1.23 -4.64 105.19 104.37 2vak n GLY 8 Ca 0.01 -1.44 -0.42 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 5.88 -0.00 1.61 0.01 -1.26 -4.90 113.70 111.03 2vak s SER 9 Ca 0.00 -2.33 0.22 0.00 1.31 0.00 0.00 55.95 55.14 2vak s SER 9 Cb 0.00 -2.03 -0.19 0.00 0.21 0.00 0.00 66.02 64.01 2vak s SER 9 CO 0.00 -0.59 0.86 0.35 0.41 0.00 0.00 173.24 174.27 2vak n THR 10 N 4.34 0.01 -2.67 1.44 -2.24 -1.26 -4.84 114.28 109.07 2vak n THR 10 Ca 0.01 -0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 2vak n THR 10 Cb 0.41 0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 69.31 2vak n THR 10 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2vak s MET 11 N -3.11 4.74 0.62 -0.78 -1.94 -1.26 -4.81 119.30 112.77 2vak s MET 11 Ca 0.05 1.56 -0.16 0.00 -1.71 0.00 0.00 55.69 55.43 2vak s MET 11 Cb 0.16 -3.30 -0.02 0.00 2.01 0.00 0.00 34.83 33.68 2vak s MET 11 CO 0.86 0.31 1.09 0.00 -0.01 0.00 0.00 175.02 177.27 2vak s ALA 12 N -0.66 2.61 0.32 3.03 0.00 -1.26 -0.50 121.76 125.30 2vak s ALA 12 Ca 0.45 0.48 -0.29 0.00 0.00 0.00 0.00 51.96 52.60 2vak s ALA 12 Cb -0.27 -3.28 -0.10 0.00 0.00 0.00 0.00 23.12 19.48 2vak s ALA 12 CO 0.33 -1.02 1.24 0.50 0.00 0.00 0.00 175.76 176.80 2vak s ARG 13 N -4.05 4.44 0.00 0.00 3.52 -0.88 -3.97 118.95 118.01 2vak s ARG 13 Ca 0.66 2.08 0.00 0.00 -0.13 0.00 0.00 55.73 58.33 2vak s ARG 13 Cb -0.18 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 2vak s ARG 13 CO 0.39 -0.06 0.00 0.00 -0.81 0.00 0.00 175.30 174.81 2vak n ALA 14 N 0.90 1.17 -3.76 6.12 0.00 -1.26 -4.96 120.51 118.72 2vak n ALA 14 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 2vak n ALA 14 Cb 0.43 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.03 2.81 -0.79 0.00 1.01 -1.26 -5.05 121.20 116.89 2vak s ILE 15 Ca 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.85 2vak s ILE 15 Cb 0.00 -2.31 0.19 0.00 0.01 0.00 0.00 42.46 40.35 2vak s ILE 15 CO 0.00 0.38 0.63 -0.31 0.00 0.00 0.00 174.94 175.64 2vak s TYR 16 N 1.37 3.71 0.16 3.97 2.02 -1.26 -5.07 117.35 122.26 2vak s TYR 16 Ca 0.04 -3.12 -0.19 0.00 -0.37 0.00 0.00 57.07 53.43 2vak s TYR 16 Cb -0.15 -3.04 -0.07 0.00 -0.40 0.00 0.00 41.96 38.30 2vak s TYR 16 CO -0.07 -0.68 0.65 -0.51 -1.57 0.00 0.00 175.55 173.37 2vak s ASP 17 N -0.52 7.03 -0.05 2.29 1.01 -1.26 -0.84 116.67 124.34 2vak s ASP 17 Ca 0.25 1.31 0.06 0.00 0.71 0.00 0.00 52.55 54.88 2vak s ASP 17 Cb -0.08 -2.38 -0.01 0.00 1.01 0.00 0.00 42.92 41.46 2vak s ASP 17 CO -0.12 0.13 -0.22 0.12 0.21 0.00 0.00 175.17 175.28 2vak s PHE 18 N -1.37 2.16 -0.15 4.23 5.36 0.57 -4.85 117.98 123.94 2vak s PHE 18 Ca 0.37 -0.61 0.00 0.00 -0.96 0.00 0.00 56.93 55.73 2vak s PHE 18 Cb -0.18 -1.43 -0.00 0.00 -0.34 0.00 0.00 43.02 41.07 2vak s PHE 18 CO 0.21 -0.18 -0.15 0.12 -1.46 0.00 0.00 175.22 173.76 2vak s PHE 19 N -0.14 2.78 0.38 10.12 5.36 -1.26 0.05 117.98 135.28 2vak s PHE 19 Ca -0.02 -0.95 -0.14 0.00 -0.96 0.00 0.00 56.93 54.86 2vak s PHE 19 Cb -0.13 -1.88 -0.08 0.00 -0.34 0.00 0.00 43.02 40.60 2vak s PHE 19 CO 0.03 -0.41 0.79 -1.54 -1.46 0.00 0.00 175.22 172.63 2vak s SER 20 N 0.71 6.69 0.15 6.13 1.04 -0.12 -4.10 113.70 124.20 2vak s SER 20 Ca -0.07 1.29 -0.34 0.00 0.48 0.00 0.00 55.95 57.31 2vak s SER 20 Cb -0.16 -2.38 -0.15 0.00 0.10 0.00 0.00 66.02 63.43 2vak s SER 20 CO 0.02 -0.32 1.38 0.41 0.98 0.00 0.00 173.24 175.71 2vak n THR 21 N -0.83 0.35 -2.38 2.02 -1.04 -1.26 -2.70 114.28 108.43 2vak n THR 21 Ca 0.04 -0.09 -0.36 0.00 -2.04 0.00 0.00 64.05 61.60 2vak n THR 21 Cb 0.54 -1.15 -0.02 0.00 -1.82 0.00 0.00 70.33 67.88 2vak n THR 21 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2vak s PRO 22 N 0.27 3.79 0.24 -2.82 0.02 -1.26 -2.29 135.00 132.95 2vak s PRO 22 Ca 0.78 1.61 -0.00 0.00 0.02 0.00 0.00 61.00 63.40 2vak s PRO 22 Cb -0.80 -2.31 -0.03 0.00 0.02 0.00 0.00 34.50 31.37 2vak s PRO 22 CO 0.46 -0.48 0.21 -0.59 -0.33 0.00 0.00 177.00 176.27 2vak s PHE 23 N -1.69 1.21 0.00 6.54 -0.71 -1.26 -4.89 117.98 117.17 2vak s PHE 23 Ca 0.64 -1.37 0.00 0.00 -1.04 0.00 0.00 56.93 55.16 2vak s PHE 23 Cb -0.24 -0.50 0.00 0.00 -1.21 0.00 0.00 43.02 41.07 2vak s PHE 23 CO 0.29 -0.75 0.00 0.41 -1.34 0.00 0.00 175.22 173.83 2vak n GLY 24 N -0.37 2.10 0.24 1.99 0.00 -1.26 -4.97 105.19 102.92 2vak n GLY 24 Ca 0.03 -1.20 -0.02 0.00 0.00 0.00 0.00 46.02 44.83 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 0.44 -0.49 1.61 2.35 -1.99 -3.25 115.58 114.24 2vak h ASN 25 Ca 0.00 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.56 2vak h ASN 25 Cb 0.00 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 2vak h ASN 25 CO 0.00 0.64 0.06 0.54 -1.65 0.00 0.00 177.43 177.02 2vak n ARG 26 N -4.17 3.69 0.00 0.81 5.12 -1.26 -5.04 116.66 115.80 2vak n ARG 26 Ca 0.00 -3.04 0.00 0.00 -1.93 0.00 0.00 57.85 52.88 2vak n ARG 26 Cb 0.35 -2.08 0.00 0.00 -1.16 0.00 0.00 32.46 29.58 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 -0.11 -1.56 3.74 -0.13 0.00 -1.23 -4.83 105.19 101.08 2vak n GLY 27 Ca 0.29 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 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 4.48 -0.23 0.99 2.96 -1.26 -4.23 118.68 121.38 2vak s LEU 28 Ca 0.00 2.19 -0.05 0.00 -0.22 0.00 0.00 54.13 56.05 2vak s LEU 28 Cb 0.00 -3.61 -0.10 0.00 0.50 0.00 0.00 46.19 42.98 2vak s LEU 28 CO 0.00 -0.29 3.20 0.00 -1.32 0.00 0.00 176.35 177.94 2vak n ALA 29 N 2.27 6.41 -4.07 5.97 0.00 -1.26 -4.79 120.51 125.05 2vak n ALA 29 Ca 0.03 -2.44 -0.19 0.00 0.00 0.00 0.00 53.44 50.84 2vak n ALA 29 Cb 0.45 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.62 2vak n ALA 29 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2vak n THR 30 N 1.69 0.00 -3.67 0.00 5.66 -1.24 -0.82 114.28 115.90 2vak n THR 30 Ca 0.46 -1.81 -0.09 0.00 -3.05 0.00 0.00 64.05 59.56 2vak n THR 30 Cb 0.74 0.79 -0.02 0.00 -1.55 0.00 0.00 70.33 70.29 2vak n THR 30 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2vak s ASN 31 N -2.81 -0.38 0.54 1.09 2.20 -1.26 -4.62 114.94 109.70 2vak s ASN 31 Ca 0.24 -0.33 0.34 0.00 -0.94 0.00 0.00 52.86 52.16 2vak s ASN 31 Cb 0.01 0.65 1.52 0.00 -2.00 0.00 0.00 41.25 41.43 2vak s ASN 31 CO 0.17 -1.15 1.85 -0.09 -2.94 0.00 0.00 177.10 174.94 2vak h ARG 32 N 2.00 0.00 -0.05 3.55 2.43 -1.94 -2.29 114.38 118.09 2vak h ARG 32 Ca -0.25 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.85 2vak h ARG 32 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2vak h ARG 32 CO 0.29 0.00 -0.22 1.15 -1.51 0.00 0.00 179.97 179.69 2vak h THR 33 N 0.00 1.46 -0.53 0.20 2.02 -1.97 -2.09 112.91 112.01 2vak h THR 33 Ca 0.49 -1.68 -0.03 0.00 0.77 0.00 0.00 66.41 65.97 2vak h THR 33 Cb 1.99 2.42 -0.02 0.00 -1.74 0.00 0.00 68.15 70.79 2vak h THR 33 CO -0.01 0.47 0.23 -0.61 0.37 0.00 0.00 175.52 175.97 2vak h GLN 34 N -0.32 0.78 0.00 6.66 4.15 -1.86 -2.38 115.11 122.13 2vak h GLN 34 Ca -0.01 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.28 2vak h GLN 34 Cb 0.87 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.43 2vak h GLN 34 CO 0.04 0.67 0.00 -0.07 -1.93 0.00 0.00 178.83 177.54 2vak h LEU 35 N 0.71 0.00 0.17 -2.39 3.38 -1.44 -2.39 115.31 113.35 2vak h LEU 35 Ca 0.18 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.81 2vak h LEU 35 Cb 0.16 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.92 2vak h LEU 35 CO -0.02 0.00 -1.65 0.28 0.09 0.00 0.00 178.44 177.14 2vak h SER 36 N 0.00 0.55 0.02 -0.43 0.02 -1.23 -3.32 113.55 109.16 2vak h SER 36 Ca 0.00 -0.78 0.00 0.00 -0.84 0.00 0.00 61.79 60.17 2vak h SER 36 Cb 0.47 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2vak h SER 36 CO 0.00 1.65 0.00 -1.54 -1.14 0.00 0.00 176.83 175.80 2vak n SER 37 N -3.55 0.00 -0.10 3.07 3.41 -0.90 -2.34 113.62 113.20 2vak n SER 37 Ca -0.21 -0.08 -0.13 0.00 -0.26 0.00 0.00 58.87 58.19 2vak n SER 37 Cb 1.07 -0.05 -0.13 0.00 -0.26 0.00 0.00 64.21 64.84 2vak n SER 37 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2vak n LEU 38 N -1.05 1.51 -4.78 1.04 4.77 -1.21 -5.00 117.00 112.28 2vak n LEU 38 Ca 0.03 -0.06 -0.41 0.00 -0.03 0.00 0.00 56.01 55.54 2vak n LEU 38 Cb 0.02 -0.19 -0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2vak n LEU 38 CO 0.03 0.68 1.13 -0.76 -1.33 0.00 0.00 177.39 177.13 2vak s LEU 39 N -5.87 4.30 1.26 2.23 1.43 -0.99 -4.89 118.68 116.16 2vak s LEU 39 Ca -0.20 3.03 -0.21 0.00 -1.03 0.00 0.00 54.13 55.71 2vak s LEU 39 Cb 0.07 -3.70 0.31 0.00 0.03 0.00 0.00 46.19 42.90 2vak s LEU 39 CO 0.65 -0.90 1.10 -0.94 0.23 0.00 0.00 176.35 176.49 2vak s SER 40 N -0.20 0.42 0.59 2.29 1.04 -0.48 -4.83 113.70 112.54 2vak s SER 40 Ca 0.53 0.53 0.29 0.00 0.48 0.00 0.00 55.95 57.79 2vak s SER 40 Cb -0.46 -0.69 1.45 0.00 0.10 0.00 0.00 66.02 66.42 2vak s SER 40 CO 0.62 -4.42 1.87 0.77 0.98 0.00 0.00 173.24 173.06 2vak h SER 41 N -2.79 0.00 -0.24 7.02 4.64 -1.96 -1.81 113.55 118.42 2vak h SER 41 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2vak h SER 41 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2vak h SER 41 CO 0.29 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.71 2vak n SER 42 N -3.68 3.56 0.00 4.97 3.41 -1.26 -4.96 113.62 115.67 2vak n SER 42 Ca 0.09 -2.86 0.00 0.00 -0.26 0.00 0.00 58.87 55.84 2vak n SER 42 Cb 0.71 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 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 -0.46 -2.94 -4.65 4.04 5.03 -0.68 -4.84 115.26 110.77 2vak n ASN 43 Ca 0.19 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.22 2vak n ASN 43 Cb 0.79 -0.49 -0.04 0.00 -1.02 0.00 0.00 39.78 39.02 2vak n ASN 43 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2vak s SER 44 N -2.42 6.86 0.12 6.41 0.15 -1.26 0.50 113.70 124.07 2vak s SER 44 Ca 0.00 1.07 0.25 0.00 0.70 0.00 0.00 55.95 57.97 2vak s SER 44 Cb 0.00 -2.44 0.95 0.00 -1.71 0.00 0.00 66.02 62.82 2vak s SER 44 CO 0.00 -0.51 1.77 -0.81 1.20 0.00 0.00 173.24 174.90 2vak n PRO 45 N 5.91 0.13 -0.01 5.44 -0.04 -1.26 -1.38 135.00 143.80 2vak n PRO 45 Ca 0.06 0.19 -0.17 0.00 -0.04 0.00 0.00 63.50 63.53 2vak n PRO 45 Cb 0.48 -1.68 -0.14 0.00 -0.04 0.00 0.00 33.50 32.12 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 -1.91 1.15 -2.91 0.54 7.02 -1.26 -4.97 117.44 115.10 2vak n TRP 46 Ca 0.05 0.29 -0.34 0.00 -1.02 0.00 0.00 57.50 56.48 2vak n TRP 46 Cb 0.33 -1.17 -0.07 0.00 -2.42 0.00 0.00 31.31 27.99 2vak n TRP 46 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 2vak s GLN 47 N -2.57 4.26 -0.49 -0.99 2.00 -1.26 -5.10 119.66 115.51 2vak s GLN 47 Ca -0.17 1.04 -0.27 0.00 -2.00 0.00 0.00 55.36 53.96 2vak s GLN 47 Cb 0.07 -2.43 -0.03 0.00 0.80 0.00 0.00 33.01 31.42 2vak s GLN 47 CO 0.78 0.11 2.00 0.42 -0.50 0.00 0.00 175.29 178.11 2vak s ILE 61 N -1.96 3.28 0.00 -2.34 -1.09 -1.26 -4.99 121.20 112.84 2vak s ILE 61 Ca 0.56 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 59.19 2vak s ILE 61 Cb -0.12 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.18 2vak s ILE 61 CO 0.17 -0.51 0.57 1.33 -1.23 0.00 0.00 174.94 175.27 2vak n VAL 62 N 7.49 0.57 -0.88 2.92 0.24 -1.26 -4.85 118.33 122.55 2vak n VAL 62 Ca 0.26 -0.06 -0.32 0.00 -2.04 0.00 0.00 64.34 62.18 2vak n VAL 62 Cb 0.51 -0.86 0.15 0.00 -1.47 0.00 0.00 33.84 32.17 2vak n VAL 62 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2vak s SER 63 N 1.27 3.21 0.16 -1.34 0.01 -1.26 -5.08 113.70 110.66 2vak s SER 63 Ca 0.00 2.27 0.02 0.00 1.31 0.00 0.00 55.95 59.55 2vak s SER 63 Cb 0.00 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 2vak s SER 63 CO 0.00 -2.92 -0.02 0.28 0.41 0.00 0.00 173.24 171.00 2vak s THR 64 N -2.43 0.71 0.38 1.44 -1.32 -0.96 -4.97 115.64 108.49 2vak s THR 64 Ca 0.70 -1.98 0.16 0.00 -1.21 0.00 0.00 61.69 59.36 2vak s THR 64 Cb -0.25 -2.03 0.14 0.00 -1.51 0.00 0.00 72.50 68.85 2vak s THR 64 CO 0.55 -0.56 1.89 -0.65 -2.21 0.00 0.00 174.62 173.64 2vak h PRO 65 N 2.74 0.00 -0.22 7.08 0.11 -1.98 -0.91 132.00 138.83 2vak h PRO 65 Ca -0.36 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.59 2vak h PRO 65 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2vak h PRO 65 CO 0.63 0.30 -0.50 1.05 -0.21 0.00 0.00 178.00 179.27 2vak h GLU 66 N 0.00 0.61 -2.49 1.05 9.09 -1.99 -3.37 114.58 117.48 2vak h GLU 66 Ca -0.00 -0.36 -0.60 0.00 0.05 0.00 0.00 59.36 58.45 2vak h GLU 66 Cb 0.56 0.03 -0.41 0.00 -1.65 0.00 0.00 28.75 27.29 2vak h GLU 66 CO 0.04 0.97 -0.75 0.00 0.05 0.00 0.00 179.01 179.32 2vak n ALA 67 N -2.52 3.34 0.44 1.06 0.00 -1.15 -4.62 120.51 117.06 2vak n ALA 67 Ca -0.03 -4.13 0.13 0.00 0.00 0.00 0.00 53.44 49.41 2vak n ALA 67 Cb 0.58 -0.90 0.48 0.00 0.00 0.00 0.00 19.45 19.61 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 4.83 0.00 -5.79 0.00 0.13 -1.34 -2.55 132.00 127.29 2vak h PRO 68 Ca 0.17 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.82 2vak h PRO 68 Cb 0.78 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.71 2vak h PRO 68 CO 0.64 0.00 -0.79 0.71 -0.23 0.00 0.00 178.00 178.33 2vak s TYR 69 N -3.29 1.62 0.29 1.56 1.51 -1.26 -4.70 117.35 113.09 2vak s TYR 69 Ca 0.06 -0.48 0.04 0.00 -1.01 0.00 0.00 57.07 55.68 2vak s TYR 69 Cb 0.10 -0.85 0.73 0.00 -0.11 0.00 0.00 41.96 41.83 2vak s TYR 69 CO 0.46 0.21 1.71 -1.35 -1.11 0.00 0.00 175.55 175.47 2vak h PRO 70 N 3.68 0.44 0.00 -1.71 0.11 -1.83 -1.13 132.00 131.55 2vak h PRO 70 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2vak h PRO 70 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2vak h PRO 70 CO 0.46 0.29 0.00 0.41 -0.21 0.00 0.00 178.00 178.95 2vak n GLY 71 N -1.33 -1.26 0.20 -0.55 0.00 -0.56 -3.38 105.19 98.30 2vak n GLY 71 Ca 0.22 0.09 -0.05 0.00 0.00 0.00 0.00 46.02 46.28 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 0.36 -0.35 1.61 0.02 -1.42 -2.91 113.55 110.87 2vak h SER 72 Ca 0.00 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 2vak h SER 72 Cb 0.35 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2vak h SER 72 CO 0.00 0.25 0.03 -0.07 -1.14 0.00 0.00 176.83 175.90 2vak h LEU 73 N 0.49 0.58 -0.69 5.07 3.38 -1.70 0.04 115.31 122.48 2vak h LEU 73 Ca 0.21 -0.28 0.14 0.00 0.09 0.00 0.00 57.88 58.04 2vak h LEU 73 Cb 0.11 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 40.61 2vak h LEU 73 CO -0.14 0.72 0.19 -0.03 0.09 0.00 0.00 178.44 179.26 2vak h MET 74 N 0.42 0.30 -0.13 1.13 4.05 -1.73 0.18 114.93 119.16 2vak h MET 74 Ca 0.10 -0.02 -0.12 0.00 -0.28 0.00 0.00 59.70 59.38 2vak h MET 74 Cb 0.40 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.14 2vak h MET 74 CO 0.01 0.20 -0.41 -0.92 0.23 0.00 0.00 176.91 176.02 2vak h TYR 75 N 0.31 0.65 -0.16 1.39 3.20 -1.26 -2.58 116.97 118.53 2vak h TYR 75 Ca 0.38 -0.27 -0.12 0.00 3.14 0.00 0.00 58.73 61.86 2vak h TYR 75 Cb 0.60 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 2vak h TYR 75 CO -0.23 1.02 -0.44 1.96 -1.64 0.00 0.00 178.16 178.83 2vak h GLN 76 N 0.11 0.38 -0.38 1.82 4.20 -0.67 -2.42 115.11 118.15 2vak h GLN 76 Ca -0.02 -0.20 -0.08 0.00 0.06 0.00 0.00 58.65 58.42 2vak h GLN 76 Cb 1.03 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 2vak h GLN 76 CO 0.09 0.75 -0.10 0.93 -0.67 0.00 0.00 178.83 179.83 2vak h GLU 77 N 0.31 0.66 -0.81 1.46 5.08 -0.71 -0.68 114.58 119.89 2vak h GLU 77 Ca 0.02 -0.20 0.08 0.00 -1.00 0.00 0.00 59.36 58.27 2vak h GLU 77 Cb 0.90 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.03 2vak h GLU 77 CO 0.08 0.74 0.53 0.66 -1.00 0.00 0.00 179.01 180.02 2vak h SER 78 N 0.60 0.72 -0.07 1.42 4.64 -1.05 -0.08 113.55 119.73 2vak h SER 78 Ca 0.11 0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.23 2vak h SER 78 Cb 0.53 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2vak h SER 78 CO 0.03 0.45 -0.76 0.24 -0.87 0.00 0.00 176.83 175.92 2vak h MET 79 N 0.81 0.72 -0.10 4.77 2.86 -0.81 -2.05 114.93 121.13 2vak h MET 79 Ca 0.36 -0.59 0.02 0.00 -2.06 0.00 0.00 59.70 57.44 2vak h MET 79 Cb 0.34 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 2vak h MET 79 CO -0.13 1.20 -0.04 1.25 1.06 0.00 0.00 176.91 180.25 2vak h LEU 80 N 0.50 -0.13 -0.74 1.22 5.85 -0.75 -1.73 115.31 119.53 2vak h LEU 80 Ca -0.05 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.75 2vak h LEU 80 Cb 1.38 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.44 2vak h LEU 80 CO 0.15 -0.05 0.46 0.45 -0.34 0.00 0.00 178.44 179.11 2vak h HIS 81 N -0.02 0.86 0.00 1.25 3.86 -0.98 -1.33 115.15 118.78 2vak h HIS 81 Ca 0.05 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.20 2vak h HIS 81 Cb 0.10 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 2vak h HIS 81 CO -0.16 0.48 -0.41 0.77 0.86 0.00 0.00 177.93 179.47 2vak h SER 82 N 0.88 0.00 0.34 2.45 0.02 -1.05 -2.54 113.55 113.65 2vak h SER 82 Ca 0.30 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.93 2vak h SER 82 Cb 0.05 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.61 2vak h SER 82 CO -0.12 0.41 -1.49 0.00 -1.14 0.00 0.00 176.83 174.49 2vak h ALA 83 N 1.59 -0.03 0.00 3.77 0.00 -1.03 -3.41 119.26 120.16 2vak h ALA 83 Ca -0.00 -0.93 -0.35 0.00 0.00 0.00 0.00 54.91 53.62 2vak h ALA 83 Cb 0.72 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 2vak h ALA 83 CO 0.05 0.84 -2.20 0.25 0.00 0.00 0.00 179.25 178.19 2vak n THR 84 N -3.64 1.47 -0.07 0.00 -2.24 -0.53 -4.73 114.28 104.54 2vak n THR 84 Ca -0.16 -0.82 -0.08 0.00 -2.27 0.00 0.00 64.05 60.72 2vak n THR 84 Cb 1.08 -0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 68.56 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 0.25 -0.34 2.28 2.07 -1.68 -3.39 116.25 115.44 2vak h VAL 85 Ca -0.48 -1.29 0.10 0.00 0.82 0.00 0.00 66.70 65.85 2vak h VAL 85 Cb 2.16 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 2vak h VAL 85 CO 0.04 0.08 0.26 -0.65 0.02 0.00 0.00 177.57 177.32 2vak h PRO 86 N -1.00 0.00 -0.01 1.57 0.11 -1.78 -1.66 132.00 129.23 2vak h PRO 86 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2vak h PRO 86 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 2vak h PRO 86 CO -0.04 0.00 -0.10 0.41 -0.21 0.00 0.00 178.00 178.06 2vak n GLY 87 N -1.57 -0.31 0.79 -0.55 0.00 -1.26 -3.33 105.19 98.95 2vak n GLY 87 Ca 0.05 -0.41 0.11 0.00 0.00 0.00 0.00 46.02 45.77 2vak n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2vak n VAL 88 N -0.23 0.00 1.65 1.61 0.31 -0.63 -4.59 118.33 116.45 2vak n VAL 88 Ca 0.16 -0.43 0.15 0.00 -0.01 0.00 0.00 64.34 64.21 2vak n VAL 88 Cb 0.34 1.41 0.71 0.00 -0.91 0.00 0.00 33.84 35.39 2vak n VAL 88 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2vak n LEU 89 N 0.90 0.64 0.07 7.52 4.77 -1.21 -3.83 117.00 125.86 2vak n LEU 89 Ca 0.12 -0.16 0.12 0.00 -0.03 0.00 0.00 56.01 56.06 2vak n LEU 89 Cb 0.54 -0.06 0.46 0.00 -2.33 0.00 0.00 43.42 42.03 2vak n LEU 89 CO 0.18 0.11 0.87 0.61 -1.33 0.00 0.00 177.39 177.83 2vak n GLY 90 N 1.14 -1.45 0.00 -0.72 0.00 -1.26 -4.02 105.19 98.88 2vak n GLY 90 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2vak n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2vak n SER 91 N -1.98 0.00 0.23 1.61 3.41 -1.25 -4.98 113.62 110.65 2vak n SER 91 Ca 0.05 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.73 2vak n SER 91 Cb 0.32 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 64.80 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 -0.14 4.33 3.08 -1.94 -3.12 114.38 116.59 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 0.22 0.00 -0.25 -1.07 0.00 0.00 179.97 178.87 2vak n ASP 93 N -3.99 2.22 -0.00 7.04 8.00 -1.26 -4.56 116.55 124.00 2vak n ASP 93 Ca -0.02 -1.74 0.04 0.00 0.71 0.00 0.00 54.79 53.78 2vak n ASP 93 Cb 0.30 -0.09 0.42 0.00 -0.02 0.00 0.00 41.12 41.72 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 1.34 1.70 -0.04 2.24 0.00 -1.84 -2.70 119.26 119.96 2vak h ALA 94 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2vak h ALA 94 Cb 0.52 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2vak h ALA 94 CO 0.00 0.28 0.07 0.11 0.00 0.00 0.00 179.25 179.71 2vak h TRP 95 N 0.56 0.00 0.66 0.00 5.08 -1.80 -0.27 115.95 120.18 2vak h TRP 95 Ca 0.15 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.09 2vak h TRP 95 Cb -0.05 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.11 2vak h TRP 95 CO 0.00 0.00 -0.32 0.00 -1.28 0.00 0.00 178.44 176.84 2vak h ARG 96 N 0.00 -0.86 0.01 0.12 3.08 -1.82 -3.35 114.38 111.55 2vak h ARG 96 Ca 0.02 0.06 -0.26 0.00 0.07 0.00 0.00 59.98 59.87 2vak h ARG 96 Cb 0.16 0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 2vak h ARG 96 CO -0.00 -0.56 -1.42 1.79 -1.07 0.00 0.00 179.97 178.72 2vak h THR 97 N -1.20 1.21 -1.12 2.04 1.35 -1.71 -3.48 112.91 110.00 2vak h THR 97 Ca -0.09 -3.00 -0.85 0.00 -0.55 0.00 0.00 66.41 61.93 2vak h THR 97 Cb 0.70 2.61 0.01 0.00 -1.73 0.00 0.00 68.15 69.75 2vak h THR 97 CO 0.15 0.71 0.71 0.33 -0.25 0.00 0.00 175.52 177.17 2vak n PHE 98 N -3.20 1.79 -3.89 4.73 7.35 -0.12 -4.18 117.46 119.94 2vak n PHE 98 Ca -0.10 1.01 -0.11 0.00 -0.76 0.00 0.00 57.45 57.49 2vak n PHE 98 Cb 1.01 -2.28 -0.12 0.00 0.35 0.00 0.00 39.48 38.44 2vak n PHE 98 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2vak s ASN 99 N 3.01 0.03 -0.12 -2.13 2.20 -1.26 -4.44 114.94 112.23 2vak s ASN 99 Ca 1.03 -0.12 -0.09 0.00 -0.94 0.00 0.00 52.86 52.74 2vak s ASN 99 Cb -1.40 0.16 0.04 0.00 -2.00 0.00 0.00 41.25 38.06 2vak s ASN 99 CO 0.78 -0.20 0.32 0.54 -2.94 0.00 0.00 177.10 175.59 2vak s VAL 100 N -0.78 -0.01 -1.75 3.54 0.11 -0.16 0.31 120.40 121.66 2vak s VAL 100 Ca -0.09 0.05 -0.17 0.00 -2.93 0.00 0.00 61.98 58.84 2vak s VAL 100 Cb -0.05 -0.46 0.17 0.00 -1.53 0.00 0.00 36.38 34.50 2vak s VAL 100 CO 0.00 0.02 0.55 0.49 -3.33 0.00 0.00 175.10 172.84 2vak n PHE 101 N 3.46 -1.38 -2.26 1.54 3.72 -1.26 -0.42 117.46 120.87 2vak n PHE 101 Ca -0.18 0.71 -0.14 0.00 -0.05 0.00 0.00 57.45 57.80 2vak n PHE 101 Cb 0.56 -2.44 -0.01 0.00 -0.94 0.00 0.00 39.48 36.66 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 -1.45 -0.20 3.12 1.37 0.00 -1.26 -4.29 105.19 102.48 2vak n GLY 102 Ca 0.01 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.99 2.10 0.10 0.99 1.43 0.44 -1.97 118.68 117.79 2vak s LEU 103 Ca 0.00 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 2vak s LEU 103 Cb 0.00 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.53 2vak s LEU 103 CO 0.00 0.10 -0.05 -0.44 0.23 0.00 0.00 176.35 176.19 2vak s SER 104 N -0.72 1.07 0.12 2.29 0.01 -0.34 -0.98 113.70 115.14 2vak s SER 104 Ca 0.03 -1.03 -0.20 0.00 1.31 0.00 0.00 55.95 56.06 2vak s SER 104 Cb -0.06 0.11 -0.07 0.00 0.21 0.00 0.00 66.02 66.21 2vak s SER 104 CO 0.00 -0.50 0.62 0.26 0.41 0.00 0.00 173.24 174.04 2vak s TRP 105 N -3.67 3.78 0.34 2.43 0.52 -1.26 -0.17 118.94 120.92 2vak s TRP 105 Ca 0.13 1.32 0.07 0.00 0.02 0.00 0.00 56.10 57.65 2vak s TRP 105 Cb 0.06 -2.54 0.63 0.00 -1.15 0.00 0.00 33.47 30.46 2vak s TRP 105 CO -0.04 0.52 1.83 1.79 0.02 0.00 0.00 176.95 181.08 2vak h THR 106 N 3.30 1.22 -1.91 2.01 1.35 -0.83 -3.47 112.91 114.57 2vak h THR 106 Ca -0.49 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.36 2vak h THR 106 Cb 1.21 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 2vak h THR 106 CO 0.64 0.32 0.00 -0.90 -0.25 0.00 0.00 175.52 175.33 2vak n ASP 107 N -4.20 0.00 0.10 5.36 3.85 -1.26 -5.00 116.55 115.40 2vak n ASP 107 Ca -0.00 -0.91 -0.04 0.00 -0.71 0.00 0.00 54.79 53.12 2vak n ASP 107 Cb 0.33 0.00 0.04 0.00 -1.35 0.00 0.00 41.12 40.14 2vak n ASP 107 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 2vak h GLU 108 N 0.00 0.00 0.00 0.11 4.81 -1.92 -3.19 114.58 114.39 2vak h GLU 108 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2vak h GLU 108 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2vak h GLU 108 CO 0.00 0.78 0.00 0.41 -0.73 0.00 0.00 179.01 179.47 2vak n GLY 109 N 0.74 -0.43 3.86 1.92 0.00 -1.26 -4.85 105.19 105.16 2vak n GLY 109 Ca -0.01 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.85 -2.62 -0.01 0.99 4.77 -1.21 -4.91 117.00 113.16 2vak n LEU 110 Ca 0.07 -0.90 -0.13 0.00 -0.03 0.00 0.00 56.01 55.03 2vak n LEU 110 Cb 0.03 -2.45 -0.10 0.00 -2.33 0.00 0.00 43.42 38.57 2vak n LEU 110 CO 0.05 0.42 0.60 -1.28 -1.33 0.00 0.00 177.39 175.86 2vak h SER 111 N -1.86 -0.02 -5.09 -1.43 0.87 -1.89 -3.47 113.55 100.66 2vak h SER 111 Ca -0.61 -0.52 -0.09 0.00 -1.23 0.00 0.00 61.79 59.34 2vak h SER 111 Cb 1.37 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 63.18 2vak h SER 111 CO 0.61 0.51 -0.29 -0.83 -0.53 0.00 0.00 176.83 176.31 2vak s GLY 112 N -3.26 -0.05 -0.25 5.77 0.00 -1.26 -4.35 107.32 103.92 2vak s GLY 112 Ca -0.16 -0.23 -0.06 0.00 0.00 0.00 0.00 44.72 44.27 2vak s GLY 112 CO 0.66 -0.43 0.03 1.08 0.00 0.00 0.00 173.10 174.44 2vak s LEU 113 N -2.38 3.35 0.00 0.66 1.43 0.18 -0.06 118.68 121.86 2vak s LEU 113 Ca -0.01 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 2vak s LEU 113 Cb 0.01 -1.84 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 2vak s LEU 113 CO -0.07 -0.07 0.01 1.33 0.23 0.00 0.00 176.35 177.78 2vak n VAL 114 N 4.86 0.00 -2.22 -1.59 0.24 0.77 -4.76 118.33 115.62 2vak n VAL 114 Ca -0.16 -1.97 -0.41 0.00 -2.04 0.00 0.00 64.34 59.75 2vak n VAL 114 Cb 0.50 0.42 -0.03 0.00 -1.47 0.00 0.00 33.84 33.26 2vak n VAL 114 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2vak s ALA 115 N -2.74 3.53 0.37 2.33 0.00 -1.26 -1.20 121.76 122.79 2vak s ALA 115 Ca 0.01 1.10 -0.26 0.00 0.00 0.00 0.00 51.96 52.81 2vak s ALA 115 Cb 0.00 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 2vak s ALA 115 CO 0.01 -0.54 1.14 0.00 0.00 0.00 0.00 175.76 176.37 2vak s ALA 116 N 0.25 3.22 -0.24 0.00 0.00 -0.83 -4.64 121.76 119.52 2vak s ALA 116 Ca 0.58 0.92 -0.29 0.00 0.00 0.00 0.00 51.96 53.17 2vak s ALA 116 Cb -0.36 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 2vak s ALA 116 CO 0.37 -0.39 1.57 -0.65 0.00 0.00 0.00 175.76 176.66 2vak s GLN 117 N -2.10 3.78 -0.11 0.00 -1.52 -1.26 -4.93 119.66 113.52 2vak s GLN 117 Ca 0.54 1.57 -0.03 0.00 -1.95 0.00 0.00 55.36 55.49 2vak s GLN 117 Cb -0.30 -4.02 -0.03 0.00 -0.22 0.00 0.00 33.01 28.44 2vak s GLN 117 CO 0.38 -1.30 0.01 0.16 -0.25 0.00 0.00 175.29 174.28 2vak s ASP 118 N 4.10 5.25 0.43 5.90 -4.77 -1.26 -2.48 116.67 123.84 2vak s ASP 118 Ca 0.69 0.11 -0.26 0.00 -3.30 0.00 0.00 52.55 49.79 2vak s ASP 118 Cb -0.23 -1.59 -0.09 0.00 -1.09 0.00 0.00 42.92 39.92 2vak s ASP 118 CO 0.29 0.33 1.41 -2.84 0.70 0.00 0.00 175.17 175.05 2vak s PRO 119 N -0.57 3.78 0.00 2.11 0.02 -1.26 -5.08 135.00 134.00 2vak s PRO 119 Ca 0.10 2.38 -0.32 0.00 0.02 0.00 0.00 61.00 63.17 2vak s PRO 119 Cb -0.12 -2.71 -0.16 0.00 0.02 0.00 0.00 34.50 31.53 2vak s PRO 119 CO 0.02 -0.73 0.86 -2.30 -0.33 0.00 0.00 177.00 174.53 2vak n PRO 120 N -0.07 0.00 0.01 5.54 -0.01 -1.04 -4.91 135.00 134.52 2vak n PRO 120 Ca 0.04 0.00 -0.05 0.00 -0.01 0.00 0.00 63.50 63.48 2vak n PRO 120 Cb 0.42 -1.21 -0.03 0.00 -0.01 0.00 0.00 33.50 32.66 2vak n PRO 120 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 175.50 174.14 2vak h PRO 121 N 2.42 -0.19 0.00 0.52 0.11 -1.79 -3.42 132.00 129.65 2vak h PRO 121 Ca -0.41 0.01 -0.42 0.00 0.11 0.00 0.00 66.00 65.29 2vak h PRO 121 Cb 1.16 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2vak h PRO 121 CO 0.53 -0.13 -0.11 0.00 -0.21 0.00 0.00 178.00 178.08 2vak n ALA 122 N -2.69 0.92 -1.45 -0.75 0.00 -1.26 -5.09 120.51 110.19 2vak n ALA 122 Ca -0.02 -1.77 -0.39 0.00 0.00 0.00 0.00 53.44 51.26 2vak n ALA 122 Cb 0.12 0.56 0.03 0.00 0.00 0.00 0.00 19.45 20.17 2vak n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vak n ALA 123 N -2.32 -1.37 -1.78 0.00 0.00 -1.26 -4.89 120.51 108.88 2vak n ALA 123 Ca -0.12 0.02 -0.36 0.00 0.00 0.00 0.00 53.44 52.98 2vak n ALA 123 Cb 0.50 -1.78 -0.05 0.00 0.00 0.00 0.00 19.45 18.13 2vak n ALA 123 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2vak s PRO 124 N -1.86 4.24 0.31 0.00 0.04 -1.26 -4.57 135.00 131.90 2vak s PRO 124 Ca 0.66 1.45 -0.29 0.00 0.04 0.00 0.00 61.00 62.86 2vak s PRO 124 Cb -0.49 -2.56 -0.10 0.00 0.04 0.00 0.00 34.50 31.39 2vak s PRO 124 CO 0.56 -0.06 1.37 -0.47 0.04 0.00 0.00 177.00 178.44 2vak s TYR 125 N -1.69 3.00 -0.56 0.56 5.04 0.15 -4.98 117.35 118.86 2vak s TYR 125 Ca 0.57 1.27 -0.15 0.00 -2.44 0.00 0.00 57.07 56.31 2vak s TYR 125 Cb -0.20 -3.75 0.14 0.00 0.35 0.00 0.00 41.96 38.49 2vak s TYR 125 CO 0.26 -2.22 0.51 -0.65 -1.34 0.00 0.00 175.55 172.11 2vak s GLN 126 N -1.33 2.99 0.24 4.97 -1.52 -1.26 -4.77 119.66 118.98 2vak s GLN 126 Ca 0.53 -1.81 -0.27 0.00 -1.95 0.00 0.00 55.36 51.86 2vak s GLN 126 Cb -0.41 -4.27 -0.16 0.00 -0.22 0.00 0.00 33.01 27.95 2vak s GLN 126 CO 0.51 -1.31 0.51 -2.30 -0.25 0.00 0.00 175.29 172.45 2vak n PRO 127 N 5.06 0.13 -4.03 2.91 -0.02 -1.26 -4.99 135.00 132.81 2vak n PRO 127 Ca -0.10 0.05 -0.29 0.00 -2.02 0.00 0.00 63.50 61.14 2vak n PRO 127 Cb 0.41 -1.09 -0.05 0.00 -0.02 0.00 0.00 33.50 32.75 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 -1.10 3.68 -0.26 3.55 0.00 -1.26 -4.93 121.76 121.44 2vak s ALA 128 Ca 0.63 -1.04 -0.13 0.00 0.00 0.00 0.00 51.96 51.41 2vak s ALA 128 Cb -0.87 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 2vak s ALA 128 CO 0.57 0.67 0.30 0.45 0.00 0.00 0.00 175.76 177.76 2vak s SER 129 N -2.70 6.20 -1.00 0.00 0.15 -1.26 -4.53 113.70 110.56 2vak s SER 129 Ca 0.31 0.22 -0.03 0.00 0.70 0.00 0.00 55.95 57.15 2vak s SER 129 Cb -0.12 -2.18 -0.04 0.00 -1.71 0.00 0.00 66.02 61.98 2vak s SER 129 CO 0.24 -0.10 0.86 0.00 1.20 0.00 0.00 173.24 175.44 2vak n ALA 130 N 5.01 -2.13 -2.84 5.45 0.00 -0.97 -4.86 120.51 120.16 2vak n ALA 130 Ca -0.11 0.06 -0.31 0.00 0.00 0.00 0.00 53.44 53.09 2vak n ALA 130 Cb 0.51 -4.20 -0.16 0.00 0.00 0.00 0.00 19.45 15.60 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 -4.61 2.47 -0.01 0.00 2.00 -1.25 -4.81 119.66 113.44 2vak s GLN 131 Ca 0.27 -0.85 -0.30 0.00 -2.00 0.00 0.00 55.36 52.48 2vak s GLN 131 Cb -0.03 -2.07 -0.03 0.00 0.80 0.00 0.00 33.01 31.68 2vak s GLN 131 CO 0.67 0.33 1.02 -1.58 -0.50 0.00 0.00 175.29 175.22 2vak s TRP 132 N -0.05 3.60 0.03 1.67 0.52 -1.26 -0.94 118.94 122.50 2vak s TRP 132 Ca -0.06 1.62 0.08 0.00 0.02 0.00 0.00 56.10 57.76 2vak s TRP 132 Cb -0.14 -3.17 -0.03 0.00 -1.15 0.00 0.00 33.47 28.98 2vak s TRP 132 CO 0.04 -0.23 -0.21 -1.12 0.02 0.00 0.00 176.95 175.45 2vak s SER 133 N 1.04 3.52 -0.42 2.95 0.01 0.11 -4.97 113.70 115.95 2vak s SER 133 Ca 0.52 -0.46 -0.19 0.00 1.31 0.00 0.00 55.95 57.13 2vak s SER 133 Cb -0.22 -0.49 0.02 0.00 0.21 0.00 0.00 66.02 65.54 2vak s SER 133 CO 0.26 0.27 0.56 -0.62 0.41 0.00 0.00 173.24 174.12 2vak s ASP 134 N -1.21 6.28 0.55 2.44 -1.08 -1.26 -0.31 116.67 122.08 2vak s ASP 134 Ca 0.13 -0.41 0.33 0.00 -0.52 0.00 0.00 52.55 52.08 2vak s ASP 134 Cb -0.10 -2.28 1.33 0.00 -1.46 0.00 0.00 42.92 40.40 2vak s ASP 134 CO 0.03 -0.68 1.97 -0.07 0.52 0.00 0.00 175.17 176.94 2vak h LEU 135 N 9.41 0.00 0.00 -1.34 3.38 -1.34 -2.70 115.31 122.71 2vak h LEU 135 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2vak h LEU 135 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2vak h LEU 135 CO 0.85 0.00 0.00 0.18 0.09 0.00 0.00 178.44 179.56 2vak n LEU 136 N -3.09 0.00 0.30 1.67 4.77 -1.26 -2.63 117.00 116.76 2vak n LEU 136 Ca 0.01 0.38 0.16 0.00 -0.03 0.00 0.00 56.01 56.53 2vak n LEU 136 Cb 0.31 -0.38 0.92 0.00 -2.33 0.00 0.00 43.42 41.94 2vak n LEU 136 CO 0.27 -0.08 1.08 0.78 -1.33 0.00 0.00 177.39 178.12 2vak h ASN 137 N 0.00 0.00 -3.26 -1.43 2.35 -1.80 -3.35 115.58 108.10 2vak h ASN 137 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 2vak h ASN 137 Cb 0.30 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.61 2vak h ASN 137 CO 0.00 0.04 0.99 -0.47 -1.65 0.00 0.00 177.43 176.34 2vak s TYR 138 N -4.30 2.64 0.41 1.19 5.04 -1.08 -4.80 117.35 116.45 2vak s TYR 138 Ca -0.04 0.81 0.09 0.00 -2.44 0.00 0.00 57.07 55.49 2vak s TYR 138 Cb 0.14 -4.08 0.86 0.00 0.35 0.00 0.00 41.96 39.23 2vak s TYR 138 CO 0.53 -1.69 1.99 -1.35 -1.34 0.00 0.00 175.55 173.69 2vak h PRO 139 N 9.65 0.33 -0.49 4.97 0.11 -1.89 0.13 132.00 144.81 2vak h PRO 139 Ca -0.26 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2vak h PRO 139 Cb 1.09 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 2vak h PRO 139 CO 1.06 0.33 0.31 -0.09 -0.21 0.00 0.00 178.00 179.40 2vak h ARG 140 N 0.33 0.65 0.19 1.05 2.43 -1.94 -0.52 114.38 116.57 2vak h ARG 140 Ca 0.08 -0.04 -0.25 0.00 -0.81 0.00 0.00 59.98 58.95 2vak h ARG 140 Cb 0.17 -0.14 0.03 0.00 -0.42 0.00 0.00 29.97 29.60 2vak h ARG 140 CO -0.00 0.44 -1.11 -1.49 -1.51 0.00 0.00 179.97 176.30 2vak h TRP 141 N 0.67 0.75 -0.91 2.20 6.55 -1.07 0.26 115.95 124.40 2vak h TRP 141 Ca 0.18 -0.54 0.12 0.00 0.95 0.00 0.00 58.89 59.59 2vak h TRP 141 Cb -0.06 -0.03 -0.08 0.00 -0.86 0.00 0.00 29.16 28.13 2vak h TRP 141 CO 0.00 1.42 0.54 0.00 -1.05 0.00 0.00 178.44 179.35 2vak h ALA 142 N 0.12 1.36 0.00 1.49 0.00 -0.87 -3.30 119.26 118.06 2vak h ALA 142 Ca -0.19 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2vak h ALA 142 Cb 1.87 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 2vak h ALA 142 CO 0.21 0.11 -0.17 -0.91 0.00 0.00 0.00 179.25 178.49 2vak h ASN 143 N 0.84 0.00 -3.57 0.00 -0.26 -1.12 -3.42 115.58 108.05 2vak h ASN 143 Ca 0.46 -0.91 -0.76 0.00 -0.56 0.00 0.00 56.30 54.53 2vak h ASN 143 Cb 0.49 0.00 -0.27 0.00 -1.06 0.00 0.00 38.32 37.48 2vak h ASN 143 CO -0.28 1.05 -0.12 -0.13 -1.06 0.00 0.00 177.43 176.89 2vak s ARG 144 N -2.23 3.14 0.16 0.81 0.52 0.91 -4.93 118.95 117.34 2vak s ARG 144 Ca -0.20 -2.15 0.05 0.00 -0.52 0.00 0.00 55.73 52.91 2vak s ARG 144 Cb -0.02 -4.24 -0.03 0.00 0.52 0.00 0.00 34.95 31.19 2vak s ARG 144 CO 0.66 -1.27 1.37 -0.09 0.02 0.00 0.00 175.30 175.99 2vak h ARG 145 N 8.11 0.08 0.00 3.54 9.65 -1.81 -3.17 114.38 130.79 2vak h ARG 145 Ca -0.07 -0.10 -0.07 0.00 -1.10 0.00 0.00 59.98 58.63 2vak h ARG 145 Cb 1.05 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.65 2vak h ARG 145 CO 0.85 0.92 -0.35 0.00 2.80 0.00 0.00 179.97 184.18 2vak h ARG 146 N 0.04 0.00 -0.38 0.20 3.08 -1.91 -1.78 114.38 113.63 2vak h ARG 146 Ca -0.03 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 2vak h ARG 146 Cb 1.55 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.58 2vak h ARG 146 CO 0.13 0.35 0.08 0.93 -1.07 0.00 0.00 179.97 180.39 2vak h GLU 147 N 0.00 0.56 0.13 0.04 5.08 -1.93 -0.64 114.58 117.82 2vak h GLU 147 Ca -0.00 -0.09 -0.24 0.00 -1.00 0.00 0.00 59.36 58.02 2vak h GLU 147 Cb 0.68 -0.09 0.03 0.00 0.50 0.00 0.00 28.75 29.86 2vak h GLU 147 CO 0.05 0.52 -1.01 1.25 -1.00 0.00 0.00 179.01 178.81 2vak h LEU 148 N 0.54 0.66 -1.34 1.33 5.85 -1.58 -3.29 115.31 117.49 2vak h LEU 148 Ca 0.13 -0.88 0.01 0.00 0.84 0.00 0.00 57.88 57.98 2vak h LEU 148 Cb 0.22 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2vak h LEU 148 CO -0.00 1.48 0.45 1.56 -0.34 0.00 0.00 178.44 181.59 2vak h GLN 149 N -0.06 0.88 -0.15 1.25 4.20 -1.24 0.43 115.11 120.42 2vak h GLN 149 Ca -0.16 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.54 2vak h GLN 149 Cb 1.76 -0.20 -0.06 0.00 0.30 0.00 0.00 27.48 29.28 2vak h GLN 149 CO 0.19 0.58 -0.26 1.03 -0.67 0.00 0.00 178.83 179.71 2vak h SER 150 N 0.91 -0.81 1.52 1.46 0.87 -1.26 -3.23 113.55 113.01 2vak h SER 150 Ca 0.26 0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.87 2vak h SER 150 Cb -0.07 0.36 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2vak h SER 150 CO -0.06 -0.31 -0.49 0.11 -0.53 0.00 0.00 176.83 175.55 2vak h LYS 151 N -0.32 0.00 -0.97 2.24 1.57 -1.23 -3.40 116.57 114.46 2vak h LYS 151 Ca 0.11 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2vak h LYS 151 Cb 0.48 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 2vak h LYS 151 CO -0.33 0.30 0.64 -0.92 -0.57 0.00 0.00 179.45 178.57 2vak h TYR 152 N 0.00 1.22 -0.97 -1.35 3.20 -0.22 -2.54 116.97 116.31 2vak h TYR 152 Ca -0.02 0.03 0.16 0.00 3.14 0.00 0.00 58.73 62.04 2vak h TYR 152 Cb 1.27 -0.41 -0.10 0.00 1.54 0.00 0.00 36.73 39.02 2vak h TYR 152 CO 0.00 0.77 0.58 -1.35 -1.64 0.00 0.00 178.16 176.52 2vak h PRO 153 N 1.31 0.78 -0.23 1.82 0.11 -1.78 0.38 132.00 134.39 2vak h PRO 153 Ca 0.36 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.37 2vak h PRO 153 Cb -0.15 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 30.77 2vak h PRO 153 CO -0.08 0.52 -0.04 1.25 -0.21 0.00 0.00 178.00 179.44 2vak h LEU 154 N 0.81 0.44 -0.64 2.35 5.85 -1.77 0.89 115.31 123.24 2vak h LEU 154 Ca 0.53 -0.35 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 2vak h LEU 154 Cb 0.73 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 2vak h LEU 154 CO -0.34 0.69 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.31 2vak h LEU 155 N 0.19 0.99 -0.54 2.25 3.38 -1.30 -2.74 115.31 117.53 2vak h LEU 155 Ca 0.06 -0.30 -0.14 0.00 0.09 0.00 0.00 57.88 57.59 2vak h LEU 155 Cb 0.49 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2vak h LEU 155 CO 0.02 1.07 -0.32 0.25 0.09 0.00 0.00 178.44 179.56 2vak h LEU 156 N 0.90 0.88 -0.80 1.67 5.85 -0.23 -1.08 115.31 122.50 2vak h LEU 156 Ca 0.15 -0.37 0.14 0.00 0.84 0.00 0.00 57.88 58.65 2vak h LEU 156 Cb 0.61 -0.24 -0.09 0.00 0.37 0.00 0.00 40.66 41.30 2vak h LEU 156 CO 0.04 1.12 0.37 -0.09 -0.34 0.00 0.00 178.44 179.54 2vak h ARG 157 N 0.71 0.51 -0.17 1.25 2.43 -0.62 -0.16 114.38 118.33 2vak h ARG 157 Ca 0.08 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 2vak h ARG 157 Cb 0.87 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2vak h ARG 157 CO 0.08 0.34 -0.10 0.77 -1.51 0.00 0.00 179.97 179.54 2vak h SER 158 N 0.53 0.39 -0.36 -3.80 0.02 -1.31 -2.35 113.55 106.66 2vak h SER 158 Ca 0.44 -0.43 0.08 0.00 -0.84 0.00 0.00 61.79 61.04 2vak h SER 158 Cb 0.64 -0.11 -0.08 0.00 0.14 0.00 0.00 62.40 63.00 2vak h SER 158 CO -0.38 0.73 -0.18 0.74 -1.14 0.00 0.00 176.83 176.60 2vak h THR 159 N 0.04 0.47 -0.40 -2.27 2.02 -0.69 -1.27 112.91 110.81 2vak h THR 159 Ca 0.04 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.11 2vak h THR 159 Cb 0.60 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 2vak h THR 159 CO 0.03 0.00 -0.19 -0.07 0.37 0.00 0.00 175.52 175.66 2vak h LEU 160 N -0.11 0.78 -0.44 2.58 3.38 -1.03 -0.86 115.31 119.61 2vak h LEU 160 Ca 0.18 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 2vak h LEU 160 Cb 0.39 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2vak h LEU 160 CO -0.44 0.96 -0.13 0.25 0.09 0.00 0.00 178.44 179.17 2vak h LEU 161 N 0.68 0.87 -1.01 1.67 5.85 -1.16 -1.29 115.31 120.92 2vak h LEU 161 Ca 0.10 -0.37 -0.07 0.00 0.84 0.00 0.00 57.88 58.38 2vak h LEU 161 Cb 0.69 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2vak h LEU 161 CO 0.05 1.04 -0.07 0.28 -0.34 0.00 0.00 178.44 179.40 2vak h SER 162 N 0.69 0.61 0.30 1.25 0.02 -1.16 -3.01 113.55 112.25 2vak h SER 162 Ca 0.11 -0.15 -0.14 0.00 -0.84 0.00 0.00 61.79 60.76 2vak h SER 162 Cb 0.68 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 2vak h SER 162 CO 0.05 0.73 -0.56 0.00 -1.14 0.00 0.00 176.83 175.90 2vak h ALA 163 N 1.34 0.87 -2.80 3.77 0.00 -1.10 -3.45 119.26 117.89 2vak h ALA 163 Ca 0.11 -0.52 -0.52 0.00 0.00 0.00 0.00 54.91 53.99 2vak h ALA 163 Cb 0.48 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 18.23 2vak h ALA 163 CO 0.03 0.70 0.60 -1.64 0.00 0.00 0.00 179.25 178.94 2vak s MET 164 N -3.85 4.43 0.28 0.00 1.00 -0.49 -0.55 119.30 120.12 2vak s MET 164 Ca -0.04 2.07 0.05 0.00 0.00 0.00 0.00 55.69 57.77 2vak s MET 164 Cb 0.12 -3.14 0.40 0.00 0.00 0.00 0.00 34.83 32.22 2vak s MET 164 CO 0.80 -0.11 1.67 -0.09 0.00 0.00 0.00 175.02 177.29 2vak h ARG 165 N 4.10 0.28 0.00 2.03 2.43 -1.85 -3.44 114.38 117.92 2vak h ARG 165 Ca -0.47 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 2vak h ARG 165 Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2vak h ARG 165 CO 0.69 0.66 0.00 0.00 -1.51 0.00 0.00 179.97 179.82 2vak n ALA 166 N -2.48 0.00 -1.93 2.80 0.00 -1.26 -4.99 120.51 112.65 2vak n ALA 166 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 2vak n ALA 166 Cb 0.50 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.13 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 1.78 0.51 0.00 0.00 -0.09 -5.02 107.32 104.50 2vak s GLY 167 Ca 0.00 -1.19 -0.21 0.00 0.00 0.00 0.00 44.72 43.32 2vak s GLY 167 CO 0.00 -0.43 1.15 2.56 0.00 0.00 0.00 173.10 176.38 2vak s PRO 168 N -5.87 3.51 0.11 2.90 0.04 -1.26 -4.05 135.00 130.37 2vak s PRO 168 Ca 0.74 1.71 -0.14 0.00 0.04 0.00 0.00 61.00 63.35 2vak s PRO 168 Cb -0.04 -2.18 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 2vak s PRO 168 CO 0.53 -0.75 0.50 0.54 0.04 0.00 0.00 177.00 177.87 2vak s VAL 169 N -1.65 4.92 -0.07 -0.36 0.11 -1.26 -2.85 120.40 119.23 2vak s VAL 169 Ca 0.69 0.78 -0.01 0.00 -2.93 0.00 0.00 61.98 60.51 2vak s VAL 169 Cb -0.27 -3.73 -0.03 0.00 -1.53 0.00 0.00 36.38 30.83 2vak s VAL 169 CO 0.31 0.31 -0.02 -0.76 -3.33 0.00 0.00 175.10 171.61 2vak s LEU 170 N -1.79 3.45 -0.39 2.54 1.43 0.76 -4.63 118.68 120.05 2vak s LEU 170 Ca 0.35 0.08 -0.21 0.00 -1.03 0.00 0.00 54.13 53.32 2vak s LEU 170 Cb -0.15 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.28 2vak s LEU 170 CO 0.18 0.36 0.65 -0.47 0.23 0.00 0.00 176.35 177.31 2vak s TYR 171 N -0.88 3.11 -0.28 0.29 5.04 -1.26 -1.60 117.35 121.77 2vak s TYR 171 Ca 0.14 0.22 0.02 0.00 -2.44 0.00 0.00 57.07 55.01 2vak s TYR 171 Cb -0.11 -3.25 0.06 0.00 0.35 0.00 0.00 41.96 39.01 2vak s TYR 171 CO 0.03 -0.73 -0.06 0.08 -1.34 0.00 0.00 175.55 173.53 2vak s VAL 172 N 2.80 2.39 -0.04 3.14 1.01 0.19 -4.79 120.40 125.10 2vak s VAL 172 Ca 0.24 -1.67 0.02 0.00 0.00 0.00 0.00 61.98 60.57 2vak s VAL 172 Cb -0.14 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.80 2vak s VAL 172 CO 0.17 -0.13 -0.07 -0.70 0.00 0.00 0.00 175.10 174.37 2vak s GLU 173 N 1.11 0.96 -0.01 2.72 2.12 -1.26 0.65 118.70 124.99 2vak s GLU 173 Ca -0.05 -0.21 0.06 0.00 0.36 0.00 0.00 54.97 55.12 2vak s GLU 173 Cb -0.20 -0.90 -0.02 0.00 0.26 0.00 0.00 34.13 33.27 2vak s GLU 173 CO -0.04 0.01 -0.20 0.95 -0.54 0.00 0.00 175.26 175.43 2vak s THR 174 N 0.58 1.58 0.09 -1.70 -4.23 -0.53 -4.70 115.64 106.74 2vak s THR 174 Ca -0.09 -0.86 0.04 0.00 -1.18 0.00 0.00 61.69 59.60 2vak s THR 174 Cb -0.12 -1.32 -0.03 0.00 1.34 0.00 0.00 72.50 72.37 2vak s THR 174 CO 0.01 0.44 -0.11 -1.66 -0.54 0.00 0.00 174.62 172.77 2vak s TRP 175 N -0.48 1.08 0.16 3.99 -2.14 -1.26 0.24 118.94 120.53 2vak s TRP 175 Ca 0.08 -0.62 0.00 0.00 2.66 0.00 0.00 56.10 58.22 2vak s TRP 175 Cb -0.08 -0.59 0.36 0.00 -3.10 0.00 0.00 33.47 30.07 2vak s TRP 175 CO -0.01 0.01 0.81 -2.30 -2.66 0.00 0.00 176.95 172.80 2vak n PRO 176 N 0.67 -0.04 -3.41 3.25 -0.02 -1.26 -2.33 135.00 131.87 2vak n PRO 176 Ca -0.17 0.78 -0.27 0.00 -2.02 0.00 0.00 63.50 61.82 2vak n PRO 176 Cb 0.57 -1.22 -0.11 0.00 -0.02 0.00 0.00 33.50 32.73 2vak n PRO 176 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2vak s ASN 177 N -5.03 1.93 0.04 2.55 4.22 -1.26 -3.98 114.94 113.41 2vak s ASN 177 Ca -0.07 -2.68 -0.30 0.00 -2.14 0.00 0.00 52.86 47.67 2vak s ASN 177 Cb 0.15 -0.36 -0.17 0.00 1.28 0.00 0.00 41.25 42.15 2vak s ASN 177 CO 0.40 -0.22 1.36 0.00 -2.04 0.00 0.00 177.10 176.60 2vak h MET 178 N 6.18 -0.84 -4.77 3.55 -0.00 -1.87 -3.35 114.93 113.82 2vak h MET 178 Ca 0.18 0.06 -0.71 0.00 -0.00 0.00 0.00 59.70 59.23 2vak h MET 178 Cb 0.94 0.19 -0.19 0.00 -0.00 0.00 0.00 31.60 32.54 2vak h MET 178 CO 0.32 -0.52 0.57 0.42 -0.00 0.00 0.00 176.91 177.70 2vak s ILE 179 N -5.29 4.89 0.33 -0.10 1.01 -1.26 -4.82 121.20 115.96 2vak s ILE 179 Ca -0.16 -1.59 -0.17 0.00 0.00 0.00 0.00 60.65 58.73 2vak s ILE 179 Cb 0.02 -4.67 0.04 0.00 0.01 0.00 0.00 42.46 37.86 2vak s ILE 179 CO 0.54 -1.36 0.73 -0.94 0.00 0.00 0.00 174.94 173.91 2vak s SER 180 N 3.34 -0.08 0.78 3.58 1.04 -1.26 -4.69 113.70 116.41 2vak s SER 180 Ca 0.26 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.77 2vak s SER 180 Cb -0.09 0.78 0.00 0.00 0.10 0.00 0.00 66.02 66.81 2vak s SER 180 CO -0.06 -1.51 0.00 0.61 0.98 0.00 0.00 173.24 173.27 2vak n GLY 181 N -0.49 2.56 0.24 7.32 0.00 -1.26 -2.83 105.19 110.73 2vak n GLY 181 Ca -0.06 -0.27 0.14 0.00 0.00 0.00 0.00 46.02 45.82 2vak n GLY 181 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2vak h ARG 182 N 0.00 0.00 0.49 1.61 2.43 -1.99 -2.93 114.38 113.98 2vak h ARG 182 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2vak h ARG 182 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2vak h ARG 182 CO 0.00 0.07 -0.23 1.25 -1.51 0.00 0.00 179.97 179.55 2vak h LEU 183 N 0.00 -0.55 -0.97 3.80 5.85 -1.88 -2.37 115.31 119.19 2vak h LEU 183 Ca -0.00 -0.02 0.31 0.00 0.84 0.00 0.00 57.88 59.01 2vak h LEU 183 Cb 0.73 0.14 -0.16 0.00 0.37 0.00 0.00 40.66 41.75 2vak h LEU 183 CO 0.01 -0.34 0.42 0.00 -0.34 0.00 0.00 178.44 178.20 2vak h ALA 184 N -0.26 1.74 0.00 1.25 0.00 -1.46 0.62 119.26 121.16 2vak h ALA 184 Ca -0.07 0.23 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2vak h ALA 184 Cb 0.54 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2vak h ALA 184 CO 0.11 -0.62 -0.34 -0.44 0.00 0.00 0.00 179.25 177.96 2vak h ASP 185 N 0.20 0.00 0.20 0.00 3.32 -1.47 0.13 116.42 118.79 2vak h ASP 185 Ca 0.70 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.74 2vak h ASP 185 Cb 1.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.15 2vak h ASP 185 CO -0.68 0.34 -0.09 -0.25 -1.72 0.00 0.00 179.24 176.84 2vak h TRP 186 N 0.00 -0.24 -0.96 4.55 7.01 -0.38 -2.78 115.95 123.14 2vak h TRP 186 Ca -0.00 -0.01 0.20 0.00 2.11 0.00 0.00 58.89 61.19 2vak h TRP 186 Cb 0.93 0.08 -0.08 0.00 -2.10 0.00 0.00 29.16 27.99 2vak h TRP 186 CO 0.00 0.16 0.61 0.74 -2.79 0.00 0.00 178.44 177.16 2vak h PHE 187 N -0.86 0.78 -0.64 2.65 0.04 -1.16 -1.78 116.94 115.95 2vak h PHE 187 Ca -0.03 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 2vak h PHE 187 Cb 0.51 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.40 2vak h PHE 187 CO 0.07 0.19 0.34 1.98 -0.60 0.00 0.00 178.31 180.29 2vak h MET 188 N 0.57 0.90 0.00 1.51 4.05 -0.76 -2.19 114.93 119.01 2vak h MET 188 Ca 0.52 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.83 2vak h MET 188 Cb 1.06 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.69 2vak h MET 188 CO -0.27 0.69 0.00 -1.13 0.23 0.00 0.00 176.91 176.44 2vak n SER 189 N -4.53 0.59 -0.54 1.39 3.41 -0.72 -2.38 113.62 110.84 2vak n SER 189 Ca 0.05 0.66 0.13 0.00 -0.26 0.00 0.00 58.87 59.45 2vak n SER 189 Cb 0.10 -0.78 0.33 0.00 -0.26 0.00 0.00 64.21 63.59 2vak n SER 189 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vak n GLN 190 N -2.17 1.58 -1.64 4.33 1.13 -0.84 -4.98 117.38 114.80 2vak n GLN 190 Ca 0.02 -1.09 -0.61 0.00 -1.94 0.00 0.00 57.00 53.38 2vak n GLN 190 Cb 0.19 -1.48 -0.08 0.00 0.11 0.00 0.00 30.24 28.98 2vak n GLN 190 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 2vak n TYR 191 N 0.24 1.40 -0.95 1.08 9.36 -1.00 -0.97 117.16 126.32 2vak n TYR 191 Ca 0.15 0.94 0.00 0.00 3.32 0.00 0.00 57.90 62.31 2vak n TYR 191 Cb 0.42 -2.24 0.00 0.00 -0.63 0.00 0.00 39.34 36.90 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 2.98 1.10 3.81 2.98 0.00 0.26 -5.00 105.19 111.31 2vak n GLY 192 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.05 6.41 0.20 1.61 0.01 -0.14 -4.71 114.94 115.27 2vak s ASN 193 Ca 0.00 1.80 -0.19 0.00 -0.71 0.00 0.00 52.86 53.76 2vak s ASN 193 Cb 0.00 -2.54 -0.08 0.00 0.41 0.00 0.00 41.25 39.04 2vak s ASN 193 CO 0.00 -0.73 0.69 0.21 -1.51 0.00 0.00 177.10 175.75 2vak s ASN 194 N -2.34 7.03 0.17 -1.22 3.84 -1.26 -0.61 114.94 120.55 2vak s ASN 194 Ca 0.64 1.36 -0.24 0.00 0.21 0.00 0.00 52.86 54.83 2vak s ASN 194 Cb -0.14 -2.40 0.06 0.00 -0.55 0.00 0.00 41.25 38.22 2vak s ASN 194 CO 0.23 0.07 1.58 0.15 -2.79 0.00 0.00 177.10 176.34 2vak h PHE 195 N 3.55 -1.07 -0.95 0.43 3.57 -0.74 -1.51 116.94 120.23 2vak h PHE 195 Ca -0.48 0.07 0.20 0.00 3.53 0.00 0.00 57.97 61.29 2vak h PHE 195 Cb 1.19 0.54 -0.11 0.00 2.79 0.00 0.00 35.95 40.36 2vak h PHE 195 CO 0.64 -0.41 0.52 0.28 -2.23 0.00 0.00 178.31 177.12 2vak h VAL 196 N -0.24 0.62 0.00 1.41 2.07 -1.92 -0.95 116.25 117.24 2vak h VAL 196 Ca 0.18 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.39 2vak h VAL 196 Cb 0.56 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2vak h VAL 196 CO -0.62 0.11 -0.50 0.44 0.02 0.00 0.00 177.57 177.03 2vak h ASP 197 N 0.61 0.00 0.20 0.57 3.32 -1.70 -1.43 116.42 117.99 2vak h ASP 197 Ca 0.56 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.40 2vak h ASP 197 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 2vak h ASP 197 CO -0.43 0.50 -0.84 0.24 -1.72 0.00 0.00 179.24 176.98 2vak h MET 198 N 0.00 0.50 -0.45 3.56 2.86 -0.76 -2.65 114.93 117.99 2vak h MET 198 Ca -0.00 -0.46 -0.02 0.00 -2.06 0.00 0.00 59.70 57.15 2vak h MET 198 Cb 1.15 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.90 2vak h MET 198 CO 0.06 1.10 0.19 0.00 1.06 0.00 0.00 176.91 179.32 2vak h ALA 200 N 1.03 0.89 -0.48 0.00 0.00 -1.28 -1.33 119.26 118.09 2vak h ALA 200 Ca 0.15 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2vak h ALA 200 Cb 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2vak h ALA 200 CO -0.01 0.46 0.12 -0.09 0.00 0.00 0.00 179.25 179.73 2vak h ARG 201 N 0.96 0.77 -0.72 0.00 2.43 -1.43 -1.23 114.38 115.16 2vak h ARG 201 Ca 0.24 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 2vak h ARG 201 Cb 0.13 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 2vak h ARG 201 CO -0.03 0.75 0.19 -0.07 -1.51 0.00 0.00 179.97 179.30 2vak h LEU 202 N 0.66 1.08 -0.56 3.80 3.38 -1.29 0.48 115.31 122.86 2vak h LEU 202 Ca 0.15 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.91 2vak h LEU 202 Cb 0.32 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2vak h LEU 202 CO 0.00 1.02 0.36 0.74 0.09 0.00 0.00 178.44 180.65 2vak h THR 203 N 1.08 1.11 -0.06 0.22 2.02 -1.11 -1.36 112.91 114.81 2vak h THR 203 Ca 0.23 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 2vak h THR 203 Cb 0.36 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 2vak h THR 203 CO -0.00 0.13 -0.03 -0.61 0.37 0.00 0.00 175.52 175.38 2vak h GLN 204 N 0.72 0.13 0.00 6.66 5.75 -0.92 -2.97 115.11 124.48 2vak h GLN 204 Ca 0.21 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 2vak h GLN 204 Cb -0.04 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.50 2vak h GLN 204 CO -0.07 0.51 0.00 -1.13 -2.65 0.00 0.00 178.83 175.49 2vak n SER 205 N -4.79 0.00 -0.81 -0.69 3.41 0.13 -2.13 113.62 108.75 2vak n SER 205 Ca -0.07 -1.57 0.09 0.00 -0.26 0.00 0.00 58.87 57.05 2vak n SER 205 Cb 0.25 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.34 2vak n SER 205 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vak h SER 207 N 3.28 0.00 0.12 0.00 4.64 -1.34 -2.64 113.55 117.60 2vak h SER 207 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2vak h SER 207 Cb 0.77 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2vak h SER 207 CO 0.00 0.00 -0.08 -0.55 -0.87 0.00 0.00 176.83 175.33 2vak h ASN 208 N 0.00 -0.21 -0.22 4.97 -1.07 -1.82 -3.49 115.58 113.75 2vak h ASN 208 Ca 0.00 0.02 -0.05 0.00 0.07 0.00 0.00 56.30 56.34 2vak h ASN 208 Cb 0.75 0.07 -0.01 0.00 -2.07 0.00 0.00 38.32 37.05 2vak h ASN 208 CO 0.00 -0.13 -0.05 0.80 0.07 0.00 0.00 177.43 178.12 2vak n MET 209 N -5.19 -0.18 -2.40 4.14 1.56 -1.00 -4.92 117.12 109.13 2vak n MET 209 Ca -0.08 0.35 -0.38 0.00 -0.27 0.00 0.00 57.70 57.32 2vak n MET 209 Cb 0.12 -3.96 -0.03 0.00 2.15 0.00 0.00 33.22 31.49 2vak n MET 209 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 2vak s PRO 210 N -3.16 3.20 -0.32 2.12 0.02 -1.26 -4.92 135.00 130.68 2vak s PRO 210 Ca 0.00 -0.60 0.02 0.00 0.02 0.00 0.00 61.00 60.44 2vak s PRO 210 Cb 0.00 -4.96 0.10 0.00 0.02 0.00 0.00 34.50 29.66 2vak s PRO 210 CO 0.00 -2.49 0.05 0.08 -0.33 0.00 0.00 177.00 174.31 2vak s VAL 211 N 6.58 1.84 0.19 3.83 1.01 -1.26 -5.02 120.40 127.57 2vak s VAL 211 Ca 0.51 -1.99 -0.15 0.00 0.00 0.00 0.00 61.98 60.35 2vak s VAL 211 Cb -0.04 -2.34 -0.07 0.00 0.00 0.00 0.00 36.38 33.93 2vak s VAL 211 CO 0.00 -0.58 0.60 -1.61 0.00 0.00 0.00 175.10 173.52 2vak s GLU 212 N 1.14 4.01 0.00 2.72 0.41 -1.26 -4.82 118.70 120.89 2vak s GLU 212 Ca 0.09 0.55 0.00 0.00 -0.41 0.00 0.00 54.97 55.20 2vak s GLU 212 Cb -0.19 -2.82 0.00 0.00 -1.78 0.00 0.00 34.13 29.34 2vak s GLU 212 CO -0.13 0.40 0.12 -2.30 -0.49 0.00 0.00 175.26 172.87 2vak n PRO 213 N 0.51 0.08 -0.06 0.39 -0.02 -1.26 -2.11 135.00 132.53 2vak n PRO 213 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2vak n PRO 213 Cb 0.52 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 2vak n PRO 213 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2vak n ASP 214 N 1.44 0.00 -2.90 2.55 10.43 -1.26 -4.67 116.55 122.13 2vak n ASP 214 Ca 0.00 -0.13 -0.12 0.00 2.57 0.00 0.00 54.79 57.11 2vak n ASP 214 Cb 0.04 0.00 0.10 0.00 1.84 0.00 0.00 41.12 43.10 2vak n ASP 214 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2vak n GLY 215 N 0.00 -2.34 0.17 0.44 0.00 -0.90 -4.75 105.19 97.81 2vak n GLY 215 Ca 0.00 -1.51 -0.08 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.52 0.39 -0.11 1.61 -0.26 -1.99 -2.23 115.58 111.47 2vak h ASN 216 Ca -0.17 -0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.56 2vak h ASN 216 Cb 0.51 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 37.68 2vak h ASN 216 CO 0.11 0.28 0.03 1.88 -1.06 0.00 0.00 177.43 178.67 2vak h TYR 217 N 0.47 0.17 -0.98 1.19 0.05 -1.93 -0.94 116.97 115.01 2vak h TYR 217 Ca 0.14 -0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.95 2vak h TYR 217 Cb -0.02 -0.05 -0.06 0.00 1.01 0.00 0.00 36.73 37.61 2vak h TYR 217 CO -0.06 0.32 0.63 0.22 -1.05 0.00 0.00 178.16 178.22 2vak h ASP 218 N -0.02 1.04 -0.34 3.88 3.58 -1.80 0.04 116.42 122.80 2vak h ASP 218 Ca 0.03 -0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.32 2vak h ASP 218 Cb 0.23 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 2vak h ASP 218 CO -0.00 0.69 -0.41 1.56 -2.88 0.00 0.00 179.24 178.20 2vak h GLN 219 N 1.20 0.88 -0.17 0.28 4.20 -1.29 -1.94 115.11 118.26 2vak h GLN 219 Ca 0.40 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2vak h GLN 219 Cb 0.07 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2vak h GLN 219 CO -0.14 1.13 0.11 1.96 -0.67 0.00 0.00 178.83 181.22 2vak h GLN 220 N 0.67 0.22 -0.18 1.46 4.20 -0.78 -1.55 115.11 119.15 2vak h GLN 220 Ca 0.05 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 2vak h GLN 220 Cb 1.01 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 2vak h GLN 220 CO 0.10 0.15 0.08 0.52 -0.67 0.00 0.00 178.83 179.01 2vak h MET 221 N 0.23 0.27 -0.74 1.46 2.86 -0.96 0.17 114.93 118.22 2vak h MET 221 Ca 0.06 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 2vak h MET 221 Cb -0.03 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 2vak h MET 221 CO -0.01 0.31 0.30 0.00 1.06 0.00 0.00 176.91 178.57 2vak h ARG 222 N 0.16 1.10 -0.02 1.72 3.08 -1.28 -0.38 114.38 118.76 2vak h ARG 222 Ca 0.06 -0.20 -0.22 0.00 0.07 0.00 0.00 59.98 59.70 2vak h ARG 222 Cb 0.13 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2vak h ARG 222 CO -0.01 0.90 -0.90 0.00 -1.07 0.00 0.00 179.97 178.89 2vak h ALA 223 N 1.15 0.40 -0.58 0.04 0.00 -1.14 -2.70 119.26 116.42 2vak h ALA 223 Ca 0.25 -0.69 0.02 0.00 0.00 0.00 0.00 54.91 54.49 2vak h ALA 223 Cb 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2vak h ALA 223 CO -0.02 0.80 0.36 1.25 0.00 0.00 0.00 179.25 181.64 2vak h LEU 224 N 0.26 0.60 0.16 0.00 5.85 -0.39 -0.66 115.31 121.12 2vak h LEU 224 Ca -0.07 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2vak h LEU 224 Cb 1.52 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.42 2vak h LEU 224 CO 0.16 0.42 -0.07 0.40 -0.34 0.00 0.00 178.44 179.01 2vak h ILE 225 N 0.72 0.89 0.01 4.05 2.04 -1.03 -2.48 117.51 121.71 2vak h ILE 225 Ca 0.23 -0.16 -0.20 0.00 1.00 0.00 0.00 64.86 65.73 2vak h ILE 225 Cb -0.01 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2vak h ILE 225 CO -0.09 0.04 -0.92 0.77 0.00 0.00 0.00 178.15 177.96 2vak h SER 226 N -0.29 0.08 0.52 1.72 4.64 -1.44 0.73 113.55 119.52 2vak h SER 226 Ca -0.02 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 2vak h SER 226 Cb 0.22 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 2vak h SER 226 CO 0.04 0.95 -0.46 0.25 -0.87 0.00 0.00 176.83 176.74 2vak h LEU 227 N 0.03 -1.23 0.06 5.97 5.85 -1.18 -1.49 115.31 123.32 2vak h LEU 227 Ca -0.02 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.81 2vak h LEU 227 Cb 1.60 0.40 -0.03 0.00 0.37 0.00 0.00 40.66 43.00 2vak h LEU 227 CO 0.13 -0.64 -0.17 -0.25 -0.34 0.00 0.00 178.44 177.17 2vak h TRP 228 N -0.97 -0.44 -0.46 1.25 7.01 -1.33 -1.10 115.95 119.91 2vak h TRP 228 Ca -0.06 0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.04 2vak h TRP 228 Cb 0.83 0.19 -0.07 0.00 -2.10 0.00 0.00 29.16 28.01 2vak h TRP 228 CO -0.21 -0.25 0.01 1.25 -2.79 0.00 0.00 178.44 176.45 2vak h LEU 229 N -0.31 -0.18 -1.13 0.65 5.85 -0.86 0.25 115.31 119.57 2vak h LEU 229 Ca 0.03 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 2vak h LEU 229 Cb 0.35 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2vak h LEU 229 CO -0.12 -0.06 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.77 2vak h LEU 230 N 0.12 0.48 -0.61 2.25 3.38 -1.03 -0.98 115.31 118.92 2vak h LEU 230 Ca 0.23 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.12 2vak h LEU 230 Cb 0.33 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2vak h LEU 230 CO -0.37 0.62 0.36 0.28 0.09 0.00 0.00 178.44 179.41 2vak h SER 231 N 0.47 0.58 -0.21 -0.43 0.02 -0.04 -1.67 113.55 112.27 2vak h SER 231 Ca 0.09 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 2vak h SER 231 Cb 0.45 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 2vak h SER 231 CO 0.02 0.39 0.05 0.22 -1.14 0.00 0.00 176.83 176.38 2vak h TYR 232 N 0.70 0.42 -0.02 3.45 3.20 0.69 -1.76 116.97 123.67 2vak h TYR 232 Ca 0.25 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.10 2vak h TYR 232 Cb 0.07 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.21 2vak h TYR 232 CO -0.06 0.39 -0.04 0.44 -1.64 0.00 0.00 178.16 177.25 2vak n ILE 233 N -4.35 0.00 -0.36 1.81 -5.35 -0.56 -4.65 119.36 105.89 2vak n ILE 233 Ca 0.01 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 2vak n ILE 233 Cb 0.18 0.80 0.00 0.00 -1.74 0.00 0.00 39.64 38.88 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 1.90 0.26 3.28 0.00 -0.66 -3.61 105.19 107.61 2vak n GLY 234 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 1.28 -3.58 1.61 -1.51 -1.70 -3.39 116.25 108.96 2vak h VAL 235 Ca 0.00 -1.57 -0.63 0.00 -1.23 0.00 0.00 66.70 63.27 2vak h VAL 235 Cb 0.00 1.41 -0.14 0.00 -2.13 0.00 0.00 31.29 30.43 2vak h VAL 235 CO 0.00 0.52 0.07 -0.69 -1.23 0.00 0.00 177.57 176.24 2vak s VAL 236 N -4.37 4.95 0.36 7.19 1.01 -0.67 -4.79 120.40 124.08 2vak s VAL 236 Ca -0.10 0.56 -0.04 0.00 0.00 0.00 0.00 61.98 62.39 2vak s VAL 236 Cb 0.11 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.49 2vak s VAL 236 CO 0.87 -0.24 0.55 -0.46 0.00 0.00 0.00 175.10 175.82 2vak n ASN 237 N 5.90 -1.54 0.32 3.32 0.23 -0.87 -3.63 115.26 118.99 2vak n ASN 237 Ca -0.02 -2.88 0.17 0.00 -0.53 0.00 0.00 54.58 51.32 2vak n ASN 237 Cb 0.49 2.80 0.89 0.00 -2.08 0.00 0.00 39.78 41.88 2vak n ASN 237 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2vak h GLN 238 N 0.00 0.00 -0.02 -3.83 4.15 -1.95 0.45 115.11 113.91 2vak h GLN 238 Ca -0.29 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.13 2vak h GLN 238 Cb 1.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.91 2vak h GLN 238 CO 0.38 0.00 -0.32 0.25 -1.93 0.00 0.00 178.83 177.22 2vak n THR 239 N -3.00 0.00 -2.97 2.39 -2.24 -1.26 -4.65 114.28 102.55 2vak n THR 239 Ca -0.02 -0.28 -0.10 0.00 -2.27 0.00 0.00 64.05 61.38 2vak n THR 239 Cb 0.34 1.11 -0.02 0.00 -2.10 0.00 0.00 70.33 69.66 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 -2.36 -0.62 0.54 3.42 2.47 0.16 -3.60 114.94 114.95 2vak s ASN 240 Ca 0.23 -2.03 -0.01 0.00 0.42 0.00 0.00 52.86 51.46 2vak s ASN 240 Cb 0.19 1.25 0.02 0.00 -1.45 0.00 0.00 41.25 41.26 2vak s ASN 240 CO 0.50 -0.09 0.78 0.42 -3.72 0.00 0.00 177.10 174.98 2vak s THR 241 N 0.73 3.23 -0.36 -5.21 -4.23 -0.38 -2.04 115.64 107.38 2vak s THR 241 Ca 0.30 -0.47 -0.08 0.00 -1.18 0.00 0.00 61.69 60.26 2vak s THR 241 Cb 0.00 -3.23 0.04 0.00 1.34 0.00 0.00 72.50 70.65 2vak s THR 241 CO -0.09 -0.18 0.15 -0.63 -0.54 0.00 0.00 174.62 173.33 2vak s ILE 242 N -2.77 4.03 -1.38 2.99 1.01 -0.72 -1.14 121.20 123.21 2vak s ILE 242 Ca 0.54 -1.11 -0.03 0.00 0.00 0.00 0.00 60.65 60.05 2vak s ILE 242 Cb -0.10 -3.30 0.02 0.00 0.01 0.00 0.00 42.46 39.09 2vak s ILE 242 CO 0.40 -0.24 0.28 -1.20 0.00 0.00 0.00 174.94 174.18 2vak n SER 243 N 4.87 -4.85 0.00 3.58 7.64 -1.26 -1.61 113.62 121.99 2vak n SER 243 Ca -0.12 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.65 2vak n SER 243 Cb 0.45 -4.01 0.00 0.00 -1.01 0.00 0.00 64.21 59.64 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 -1.12 2.29 3.88 0.23 0.00 -1.26 -4.98 105.19 104.23 2vak n GLY 244 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.28 3.44 -0.07 1.61 0.08 -0.63 -0.78 117.98 119.35 2vak s PHE 245 Ca 0.00 0.79 -0.29 0.00 0.12 0.00 0.00 56.93 57.55 2vak s PHE 245 Cb 0.00 -2.20 0.10 0.00 -0.57 0.00 0.00 43.02 40.36 2vak s PHE 245 CO 0.00 0.29 0.88 1.52 -0.10 0.00 0.00 175.22 177.81 2vak s TYR 246 N -1.81 -0.42 0.06 0.36 1.13 -0.89 -1.76 117.35 114.02 2vak s TYR 246 Ca 0.46 0.56 -0.09 0.00 -1.41 0.00 0.00 57.07 56.59 2vak s TYR 246 Cb -0.11 0.48 -0.05 0.00 -1.10 0.00 0.00 41.96 41.17 2vak s TYR 246 CO 0.23 -0.49 0.36 -0.06 -2.51 0.00 0.00 175.55 173.08 2vak s PHE 247 N -1.99 3.58 -0.01 -3.49 0.40 -1.26 -1.04 117.98 114.17 2vak s PHE 247 Ca -0.01 0.71 0.04 0.00 -0.60 0.00 0.00 56.93 57.08 2vak s PHE 247 Cb -0.01 -2.10 -0.01 0.00 0.51 0.00 0.00 43.02 41.41 2vak s PHE 247 CO -0.02 0.54 -0.15 0.45 0.70 0.00 0.00 175.22 176.75 2vak s SER 248 N -1.77 1.73 -0.07 1.36 0.15 0.78 -4.88 113.70 111.00 2vak s SER 248 Ca 0.32 -0.27 0.02 0.00 0.70 0.00 0.00 55.95 56.72 2vak s SER 248 Cb -0.14 -0.21 0.01 0.00 -1.71 0.00 0.00 66.02 63.97 2vak s SER 248 CO 0.18 0.18 -0.11 -0.55 1.20 0.00 0.00 173.24 174.13 2vak s SER 249 N -0.31 1.80 0.20 5.45 0.15 -1.25 -0.85 113.70 118.89 2vak s SER 249 Ca 0.05 -0.29 -0.10 0.00 0.70 0.00 0.00 55.95 56.30 2vak s SER 249 Cb -0.06 -0.82 0.19 0.00 -1.71 0.00 0.00 66.02 63.63 2vak s SER 249 CO -0.00 0.01 1.83 0.11 1.20 0.00 0.00 173.24 176.39 2vak h LYS 250 N 7.13 0.76 -6.20 5.44 1.57 -1.90 -3.43 116.57 119.94 2vak h LYS 250 Ca -0.31 -0.05 -0.53 0.00 -1.87 0.00 0.00 60.65 57.90 2vak h LYS 250 Cb 1.18 -0.17 -0.07 0.00 0.08 0.00 0.00 32.23 33.25 2vak h LYS 250 CO 0.47 0.50 -0.58 0.95 -0.57 0.00 0.00 179.45 180.22 2vak s THR 251 N -6.11 3.99 -0.06 -0.16 -4.23 -1.26 -5.12 115.64 102.67 2vak s THR 251 Ca -0.13 -1.63 -0.02 0.00 -1.18 0.00 0.00 61.69 58.73 2vak s THR 251 Cb 0.15 -3.15 0.03 0.00 1.34 0.00 0.00 72.50 70.87 2vak s THR 251 CO 0.76 -0.36 0.04 -0.60 -0.54 0.00 0.00 174.62 173.93 2vak s ARG 252 N -3.77 0.15 0.00 3.99 6.06 -1.26 -4.66 118.95 119.46 2vak s ARG 252 Ca 0.32 0.24 0.00 0.00 -2.50 0.00 0.00 55.73 53.79 2vak s ARG 252 Cb -0.07 -0.80 0.00 0.00 0.06 0.00 0.00 34.95 34.14 2vak s ARG 252 CO 0.23 -0.36 0.00 0.41 -2.50 0.00 0.00 175.30 173.08 2vak n GLY 253 N 5.25 1.00 1.43 8.12 0.00 -1.26 -4.55 105.19 115.18 2vak n GLY 253 Ca -0.05 -0.49 -0.06 0.00 0.00 0.00 0.00 46.02 45.43 2vak n GLY 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vak n GLN 254 N -1.53 0.32 0.19 1.61 10.64 -1.26 -4.43 117.38 122.92 2vak n GLN 254 Ca 0.00 -1.14 0.04 0.00 -1.83 0.00 0.00 57.00 54.07 2vak n GLN 254 Cb 0.16 1.13 0.43 0.00 -0.86 0.00 0.00 30.24 31.10 2vak n GLN 254 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2vak h ALA 255 N 1.72 1.54 -0.48 2.61 0.00 -1.97 -2.46 119.26 120.23 2vak h ALA 255 Ca -0.12 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2vak h ALA 255 Cb 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2vak h ALA 255 CO 0.16 0.34 0.00 1.28 0.00 0.00 0.00 179.25 181.03 2vak n LEU 256 N -4.22 3.92 -4.69 0.00 4.77 -1.26 -4.93 117.00 110.59 2vak n LEU 256 Ca -0.02 -1.98 -0.42 0.00 -0.03 0.00 0.00 56.01 53.56 2vak n LEU 256 Cb 0.32 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 2vak n LEU 256 CO 0.38 0.61 1.36 -1.81 -1.33 0.00 0.00 177.39 176.60 2vak s ASP 257 N -0.74 6.55 -0.11 -1.43 -0.00 -0.93 -4.54 116.67 115.48 2vak s ASP 257 Ca 0.39 2.57 -0.09 0.00 -0.00 0.00 0.00 52.55 55.42 2vak s ASP 257 Cb 0.26 -2.57 0.03 0.00 -0.00 0.00 0.00 42.92 40.65 2vak s ASP 257 CO 0.17 -0.91 0.28 -0.55 -0.00 0.00 0.00 175.17 174.15 2vak s SER 258 N 2.39 -0.30 -0.25 0.27 0.15 -1.26 -5.04 113.70 109.65 2vak s SER 258 Ca 0.75 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.97 2vak s SER 258 Cb -0.42 0.55 0.04 0.00 -1.71 0.00 0.00 66.02 64.48 2vak s SER 258 CO 0.33 -0.11 -0.08 0.26 1.20 0.00 0.00 173.24 174.84 2vak s TRP 259 N 0.40 3.13 -0.07 3.44 0.52 -1.26 -3.87 118.94 121.23 2vak s TRP 259 Ca -0.02 -1.87 0.02 0.00 0.02 0.00 0.00 56.10 54.25 2vak s TRP 259 Cb -0.04 -2.01 -0.03 0.00 -1.15 0.00 0.00 33.47 30.25 2vak s TRP 259 CO -0.02 -0.80 -0.11 0.99 0.02 0.00 0.00 176.95 177.04 2vak s THR 260 N 1.24 3.37 -0.30 2.01 2.01 -0.03 0.06 115.64 124.00 2vak s THR 260 Ca -0.03 -0.60 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 2vak s THR 260 Cb -0.18 -2.36 0.02 0.00 0.01 0.00 0.00 72.50 69.99 2vak s THR 260 CO -0.05 0.59 1.07 -0.22 -0.69 0.00 0.00 174.62 175.32 2vak s LEU 261 N -0.67 3.97 0.48 4.42 2.96 0.22 -0.15 118.68 129.91 2vak s LEU 261 Ca 0.10 1.12 0.04 0.00 -0.22 0.00 0.00 54.13 55.17 2vak s LEU 261 Cb -0.11 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 2vak s LEU 261 CO 0.01 -0.84 0.07 -0.36 -1.32 0.00 0.00 176.35 173.91 2vak s PHE 262 N 3.56 2.07 -0.13 5.38 0.08 -0.20 0.89 117.98 129.62 2vak s PHE 262 Ca 0.45 -0.84 -0.06 0.00 0.12 0.00 0.00 56.93 56.60 2vak s PHE 262 Cb -0.13 -1.72 0.06 0.00 -0.57 0.00 0.00 43.02 40.66 2vak s PHE 262 CO 0.13 0.20 0.30 -0.47 -0.10 0.00 0.00 175.22 175.28 2vak s TYR 263 N -2.80 -0.46 0.24 0.36 5.04 -1.26 -2.10 117.35 116.38 2vak s TYR 263 Ca 0.19 1.02 0.08 0.00 -2.44 0.00 0.00 57.07 55.92 2vak s TYR 263 Cb 0.03 0.10 -0.04 0.00 0.35 0.00 0.00 41.96 42.40 2vak s TYR 263 CO 0.11 -0.31 0.10 0.95 -1.34 0.00 0.00 175.55 175.05 2vak s THR 264 N 1.73 4.02 -0.22 4.34 -4.23 0.04 -5.01 115.64 116.31 2vak s THR 264 Ca -0.06 -1.57 -0.03 0.00 -1.18 0.00 0.00 61.69 58.85 2vak s THR 264 Cb -0.11 -3.15 -0.13 0.00 1.34 0.00 0.00 72.50 70.46 2vak s THR 264 CO -0.10 -0.32 -0.23 0.41 -0.54 0.00 0.00 174.62 173.84 2vak n THR 265 N -0.93 1.26 0.14 3.99 -1.04 -1.26 -4.56 114.28 111.87 2vak n THR 265 Ca -0.07 -0.42 0.02 0.00 -2.04 0.00 0.00 64.05 61.53 2vak n THR 265 Cb 0.58 -1.46 0.07 0.00 -1.82 0.00 0.00 70.33 67.70 2vak n THR 265 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2vak h ASN 266 N -0.29 0.00 -3.05 8.00 -1.07 -1.98 -3.48 115.58 113.71 2vak h ASN 266 Ca -0.52 0.00 -0.50 0.00 0.07 0.00 0.00 56.30 55.35 2vak h ASN 266 Cb 1.67 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.92 2vak h ASN 266 CO -0.17 0.54 -0.14 0.42 0.07 0.00 0.00 177.43 178.14 2vak s THR 267 N -3.07 5.06 0.54 6.14 -4.23 -1.26 -5.03 115.64 113.79 2vak s THR 267 Ca 0.03 -0.18 -0.19 0.00 -1.18 0.00 0.00 61.69 60.17 2vak s THR 267 Cb 0.09 -3.81 -0.09 0.00 1.34 0.00 0.00 72.50 70.03 2vak s THR 267 CO 0.74 -0.48 0.63 -3.20 -0.54 0.00 0.00 174.62 171.77 2vak n ASN 268 N -1.45 -0.56 -4.01 3.99 5.15 -1.24 -4.80 115.26 112.34 2vak n ASN 268 Ca -0.03 0.80 -0.24 0.00 -0.60 0.00 0.00 54.58 54.51 2vak n ASN 268 Cb 0.55 -1.21 -0.16 0.00 -0.53 0.00 0.00 39.78 38.43 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 -2.09 1.57 0.68 1.20 0.52 -1.26 -1.25 118.95 118.32 2vak s ARG 269 Ca 0.68 -0.38 -0.13 0.00 -0.52 0.00 0.00 55.73 55.38 2vak s ARG 269 Cb -0.47 -1.32 0.01 0.00 0.52 0.00 0.00 34.95 33.68 2vak s ARG 269 CO 0.54 0.03 1.08 0.14 0.02 0.00 0.00 175.30 177.12 2vak s VAL 270 N 0.63 3.54 -0.44 3.52 -7.23 -0.29 -4.95 120.40 115.17 2vak s VAL 270 Ca -0.13 0.61 0.02 0.00 -1.81 0.00 0.00 61.98 60.68 2vak s VAL 270 Cb -0.15 -3.17 0.13 0.00 0.56 0.00 0.00 36.38 33.75 2vak s VAL 270 CO 0.03 -0.54 0.22 -1.10 -0.31 0.00 0.00 175.10 173.41 2vak s GLN 271 N -4.49 1.39 0.16 4.82 -0.21 -1.24 -4.72 119.66 115.37 2vak s GLN 271 Ca 0.63 -2.06 -0.30 0.00 0.02 0.00 0.00 55.36 53.65 2vak s GLN 271 Cb -0.17 -2.55 -0.08 0.00 1.00 0.00 0.00 33.01 31.21 2vak s GLN 271 CO 0.47 -1.13 1.23 0.42 -2.12 0.00 0.00 175.29 174.16 2vak s ILE 272 N 0.34 3.55 0.00 1.08 1.01 -1.25 -4.42 121.20 121.51 2vak s ILE 272 Ca 0.17 1.25 0.00 0.00 0.00 0.00 0.00 60.65 62.07 2vak s ILE 272 Cb -0.24 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.43 2vak s ILE 272 CO -0.02 0.17 0.00 0.41 0.00 0.00 0.00 174.94 175.51 2vak n THR 273 N 2.85 0.00 -3.99 2.92 -1.04 -0.30 -4.31 114.28 110.42 2vak n THR 273 Ca 0.06 -0.14 -0.10 0.00 -2.04 0.00 0.00 64.05 61.82 2vak n THR 273 Cb 0.44 0.62 -0.04 0.00 -1.82 0.00 0.00 70.33 69.54 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 -1.51 1.75 0.31 -2.82 -2.07 -1.23 -4.89 119.66 109.20 2vak s GLN 274 Ca 0.00 -1.39 -0.28 0.00 -1.82 0.00 0.00 55.36 51.87 2vak s GLN 274 Cb 0.00 0.49 -0.09 0.00 -1.09 0.00 0.00 33.01 32.32 2vak s GLN 274 CO 0.00 -0.74 1.08 0.50 -1.32 0.00 0.00 175.29 174.80 2vak s ARG 275 N -3.54 4.50 -0.04 9.60 3.52 -1.26 -4.00 118.95 127.73 2vak s ARG 275 Ca 0.23 1.70 0.03 0.00 -0.13 0.00 0.00 55.73 57.56 2vak s ARG 275 Cb -0.01 -3.00 0.01 0.00 -1.56 0.00 0.00 34.95 30.38 2vak s ARG 275 CO 0.12 0.11 -0.12 -1.01 -0.81 0.00 0.00 175.30 173.60 2vak s HIS 276 N -1.31 1.26 -0.03 5.12 3.76 0.14 -4.98 115.29 119.25 2vak s HIS 276 Ca 0.48 -0.37 0.01 0.00 -0.15 0.00 0.00 55.06 55.03 2vak s HIS 276 Cb -0.29 -0.90 0.01 0.00 1.11 0.00 0.00 32.58 32.52 2vak s HIS 276 CO 0.37 -0.17 -0.05 0.12 -0.85 0.00 0.00 174.74 174.16 2vak s PHE 277 N 0.32 0.62 -0.02 1.40 5.36 -1.26 -1.45 117.98 122.95 2vak s PHE 277 Ca -0.07 -0.14 -0.03 0.00 -0.96 0.00 0.00 56.93 55.74 2vak s PHE 277 Cb -0.12 -0.50 0.00 0.00 -0.34 0.00 0.00 43.02 42.07 2vak s PHE 277 CO 0.02 -0.10 0.07 0.00 -1.46 0.00 0.00 175.22 173.75 2vak s ALA 278 N 0.47 -0.18 -0.24 11.12 0.00 0.21 -5.01 121.76 128.12 2vak s ALA 278 Ca -0.06 0.12 -0.19 0.00 0.00 0.00 0.00 51.96 51.84 2vak s ALA 278 Cb -0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 2vak s ALA 278 CO -0.00 -0.06 0.55 0.71 0.00 0.00 0.00 175.76 176.95 2vak s TYR 279 N -0.22 3.30 -0.18 0.00 2.02 -1.26 0.52 117.35 121.54 2vak s TYR 279 Ca -0.03 0.73 0.00 0.00 -0.37 0.00 0.00 57.07 57.41 2vak s TYR 279 Cb -0.02 -2.74 0.04 0.00 -0.40 0.00 0.00 41.96 38.84 2vak s TYR 279 CO 0.00 -0.24 -0.08 0.08 -1.57 0.00 0.00 175.55 173.74 2vak s VAL 280 N 2.15 1.40 0.27 0.71 1.01 -0.63 -0.36 120.40 124.95 2vak s VAL 280 Ca 0.24 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.46 2vak s VAL 280 Cb -0.16 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 2vak s VAL 280 CO 0.09 0.17 0.40 0.00 0.00 0.00 0.00 175.10 175.76 2vak s ALA 282 N -2.04 3.53 -0.04 0.00 0.00 -1.13 -1.00 121.76 121.08 2vak s ALA 282 Ca 0.37 0.07 -0.23 0.00 0.00 0.00 0.00 51.96 52.16 2vak s ALA 282 Cb -0.09 -3.28 -0.24 0.00 0.00 0.00 0.00 23.12 19.51 2vak s ALA 282 CO 0.30 -0.70 1.02 -0.09 0.00 0.00 0.00 175.76 176.29 2vak h ARG 283 N 7.34 0.23 -6.31 0.00 2.43 -0.76 -0.20 114.38 117.11 2vak h ARG 283 Ca -0.28 -0.26 -0.54 0.00 -0.81 0.00 0.00 59.98 58.09 2vak h ARG 283 Cb 1.12 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 2vak h ARG 283 CO 0.85 0.99 -0.26 -1.54 -1.51 0.00 0.00 179.97 178.51 2vak s SER 284 N -6.46 6.43 0.36 -3.80 1.04 -1.25 -4.36 113.70 105.66 2vak s SER 284 Ca -0.15 0.56 0.26 0.00 0.48 0.00 0.00 55.95 57.09 2vak s SER 284 Cb 0.01 -2.08 1.27 0.00 0.10 0.00 0.00 66.02 65.33 2vak s SER 284 CO 0.76 -0.08 1.78 -0.65 0.98 0.00 0.00 173.24 176.04 2vak h PRO 285 N 2.07 0.00 0.00 4.02 0.11 -1.93 -2.31 132.00 133.96 2vak h PRO 285 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2vak h PRO 285 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2vak h PRO 285 CO 0.68 0.00 0.01 -0.40 -0.21 0.00 0.00 178.00 178.08 2vak n ASP 286 N -2.41 0.24 -0.25 -2.05 5.68 -1.26 -1.55 116.55 114.96 2vak n ASP 286 Ca -0.00 0.61 0.20 0.00 -0.50 0.00 0.00 54.79 55.10 2vak n ASP 286 Cb 0.12 -0.64 0.53 0.00 -1.14 0.00 0.00 41.12 39.99 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 0.50 0.00 2.11 5.08 -1.80 -1.44 115.95 120.41 2vak h TRP 287 Ca 0.00 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.99 2vak h TRP 287 Cb 0.01 -0.15 0.00 0.00 -3.00 0.00 0.00 29.16 26.02 2vak h TRP 287 CO 0.00 0.12 0.05 -0.91 -1.28 0.00 0.00 178.44 176.42 2vak h ASN 288 N 0.37 0.00 0.00 0.11 2.35 -1.56 -2.25 115.58 114.60 2vak h ASN 288 Ca 0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.23 2vak h ASN 288 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 2vak h ASN 288 CO -0.17 0.00 -0.49 0.55 -1.65 0.00 0.00 177.43 175.67 2vak n VAL 289 N -2.75 0.00 -2.59 2.81 3.14 -0.56 -1.50 118.33 116.88 2vak n VAL 289 Ca -0.02 -0.32 -0.41 0.00 -2.96 0.00 0.00 64.34 60.63 2vak n VAL 289 Cb 0.10 0.86 -0.03 0.00 -1.06 0.00 0.00 33.84 33.71 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 -1.79 6.29 0.56 6.55 -1.08 -0.85 -4.88 116.67 121.47 2vak s ASP 290 Ca 0.01 -0.88 0.30 0.00 -0.52 0.00 0.00 52.55 51.46 2vak s ASP 290 Cb 0.04 -2.54 1.64 0.00 -1.46 0.00 0.00 42.92 40.60 2vak s ASP 290 CO 0.24 -1.67 2.15 0.11 0.52 0.00 0.00 175.17 176.52 2vak h LYS 291 N 9.87 0.00 0.01 4.34 1.57 -1.90 -2.53 116.57 127.93 2vak h LYS 291 Ca -0.11 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2vak h LYS 291 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2vak h LYS 291 CO 1.31 0.07 -0.01 0.77 -0.57 0.00 0.00 179.45 181.03 2vak h SER 292 N 0.00 -0.01 -0.95 0.86 0.02 -1.95 -1.36 113.55 110.15 2vak h SER 292 Ca -0.00 -0.78 0.21 0.00 -0.84 0.00 0.00 61.79 60.37 2vak h SER 292 Cb 0.21 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.64 2vak h SER 292 CO 0.01 0.84 0.53 -0.25 -1.14 0.00 0.00 176.83 176.82 2vak h TRP 293 N -0.94 0.90 -0.24 3.45 2.91 -1.92 -0.56 115.95 119.56 2vak h TRP 293 Ca -0.00 0.04 -0.16 0.00 1.13 0.00 0.00 58.89 59.89 2vak h TRP 293 Cb 0.80 -0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 29.19 2vak h TRP 293 CO 0.21 0.11 -0.52 0.82 -1.03 0.00 0.00 178.44 178.04 2vak h ILE 294 N 0.60 1.30 0.61 2.65 2.04 -1.47 -0.76 117.51 122.48 2vak h ILE 294 Ca 0.58 -1.73 -0.02 0.00 1.00 0.00 0.00 64.86 64.68 2vak h ILE 294 Cb 1.00 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 2vak h ILE 294 CO -0.44 0.55 -0.47 0.00 0.00 0.00 0.00 178.15 177.79 2vak h ALA 295 N 0.90 -1.19 -0.97 1.87 0.00 -0.27 -1.80 119.26 117.79 2vak h ALA 295 Ca 0.02 -0.21 0.20 0.00 0.00 0.00 0.00 54.91 54.92 2vak h ALA 295 Cb 1.08 0.64 -0.09 0.00 0.00 0.00 0.00 17.79 19.41 2vak h ALA 295 CO 0.10 -1.19 0.61 0.00 0.00 0.00 0.00 179.25 178.78 2vak h ALA 296 N -1.10 1.88 0.00 0.00 0.00 -1.10 -1.58 119.26 117.36 2vak h ALA 296 Ca -0.08 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2vak h ALA 296 Cb 0.86 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2vak h ALA 296 CO 0.02 -0.22 -0.33 0.00 0.00 0.00 0.00 179.25 178.72 2vak h ALA 297 N 1.62 1.02 -0.00 0.00 0.00 -0.92 -0.98 119.26 120.00 2vak h ALA 297 Ca 0.54 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 2vak h ALA 297 Cb 1.01 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.76 2vak h ALA 297 CO -0.30 0.41 -0.63 -0.91 0.00 0.00 0.00 179.25 177.83 2vak h ASN 298 N 0.00 0.56 -0.54 0.00 2.35 -0.42 -3.14 115.58 114.39 2vak h ASN 298 Ca -0.00 -0.76 -0.01 0.00 -0.55 0.00 0.00 56.30 54.98 2vak h ASN 298 Cb 0.84 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.01 2vak h ASN 298 CO 0.04 1.24 0.31 -0.07 -1.65 0.00 0.00 177.43 177.31 2vak h LEU 299 N -0.07 0.66 -0.97 1.61 3.38 -1.34 -2.36 115.31 116.22 2vak h LEU 299 Ca -0.08 -0.07 0.32 0.00 0.09 0.00 0.00 57.88 58.14 2vak h LEU 299 Cb 1.34 -0.17 -0.17 0.00 0.09 0.00 0.00 40.66 41.75 2vak h LEU 299 CO 0.12 0.55 0.31 0.74 0.09 0.00 0.00 178.44 180.25 2vak h THR 300 N 0.73 0.10 0.00 0.22 2.02 -1.27 0.32 112.91 115.03 2vak h THR 300 Ca 0.19 -0.03 -0.14 0.00 0.77 0.00 0.00 66.41 67.21 2vak h THR 300 Cb 0.02 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.42 2vak h THR 300 CO -0.03 0.01 -0.65 0.00 0.37 0.00 0.00 175.52 175.22 2vak h ALA 301 N 1.94 0.63 -0.03 6.16 0.00 -1.37 0.37 119.26 126.95 2vak h ALA 301 Ca 0.69 -0.59 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 2vak h ALA 301 Cb 1.62 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.31 2vak h ALA 301 CO -0.78 0.81 -0.61 0.82 0.00 0.00 0.00 179.25 179.49 2vak h ILE 302 N 0.00 1.40 -0.42 0.00 2.04 -1.10 -2.03 117.51 117.41 2vak h ILE 302 Ca -0.01 -2.03 0.05 0.00 1.00 0.00 0.00 64.86 63.88 2vak h ILE 302 Cb 1.43 2.47 -0.05 0.00 -0.74 0.00 0.00 36.82 39.94 2vak h ILE 302 CO 0.08 0.60 0.15 0.58 0.00 0.00 0.00 178.15 179.57 2vak h VAL 303 N -0.00 0.88 0.00 1.67 2.07 -0.12 -2.85 116.25 117.90 2vak h VAL 303 Ca -0.07 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 2vak h VAL 303 Cb 1.30 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2vak h VAL 303 CO 0.12 0.06 -0.25 0.24 0.02 0.00 0.00 177.57 177.77 2vak h MET 304 N 0.32 0.00 -0.10 1.57 2.86 -0.36 -3.25 114.93 115.97 2vak h MET 304 Ca 0.19 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.75 2vak h MET 304 Cb 0.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 2vak h MET 304 CO -0.19 0.25 -0.30 0.00 1.06 0.00 0.00 176.91 177.73 2vak h ALA 305 N 1.75 1.31 0.00 6.32 0.00 -1.11 -3.24 119.26 124.29 2vak h ALA 305 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2vak h ALA 305 Cb 0.95 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2vak h ALA 305 CO 0.03 0.48 -0.83 0.00 0.00 0.00 0.00 179.25 178.93 2vak s ARG 307 N -3.27 1.96 -0.47 0.00 1.70 -1.22 -2.08 118.95 115.57 2vak s ARG 307 Ca 0.03 -2.18 -0.21 0.00 -0.47 0.00 0.00 55.73 52.89 2vak s ARG 307 Cb 0.11 -1.21 0.03 0.00 -0.57 0.00 0.00 34.95 33.31 2vak s ARG 307 CO 0.76 -0.27 0.72 -0.65 -1.08 0.00 0.00 175.30 174.77 2vak s GLN 308 N -3.80 3.28 0.75 3.89 -1.52 0.35 -3.94 119.66 118.67 2vak s GLN 308 Ca 0.23 -0.41 -0.09 0.00 -1.95 0.00 0.00 55.36 53.15 2vak s GLN 308 Cb 0.05 -4.00 0.08 0.00 -0.22 0.00 0.00 33.01 28.93 2vak s GLN 308 CO 0.12 -1.15 1.08 -1.25 -0.25 0.00 0.00 175.29 173.84 2vak s PRO 309 N 3.06 2.02 0.41 2.91 0.04 -1.26 -4.64 135.00 137.54 2vak s PRO 309 Ca 0.24 -0.18 -0.26 0.00 0.04 0.00 0.00 61.00 60.83 2vak s PRO 309 Cb -0.14 -2.09 -0.10 0.00 0.04 0.00 0.00 34.50 32.20 2vak s PRO 309 CO 0.18 -1.42 1.29 -2.30 0.04 0.00 0.00 177.00 174.79 2vak n PRO 310 N -3.09 2.01 -2.44 0.56 -0.02 -1.26 -4.96 135.00 125.81 2vak n PRO 310 Ca 0.09 0.71 -0.43 0.00 -2.02 0.00 0.00 63.50 61.85 2vak n PRO 310 Cb 0.61 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 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 -1.18 4.28 0.34 -1.45 1.01 -1.26 -4.95 120.40 117.20 2vak s VAL 311 Ca 0.60 1.57 -0.28 0.00 0.00 0.00 0.00 61.98 63.86 2vak s VAL 311 Cb -0.51 -4.01 -0.12 0.00 0.00 0.00 0.00 36.38 31.74 2vak s VAL 311 CO 0.59 -0.08 1.43 0.49 0.00 0.00 0.00 175.10 177.52 2vak n PHE 312 N 6.05 2.66 -1.64 5.22 3.72 0.29 -0.60 117.46 133.17 2vak n PHE 312 Ca 0.13 0.46 -0.47 0.00 -0.05 0.00 0.00 57.45 57.52 2vak n PHE 312 Cb 0.45 -2.49 -0.04 0.00 -0.94 0.00 0.00 39.48 36.46 2vak n PHE 312 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2vak n ALA 313 N 0.73 0.59 -0.23 4.37 0.00 0.40 -1.58 120.51 124.79 2vak n ALA 313 Ca 0.04 0.45 0.25 0.00 0.00 0.00 0.00 53.44 54.18 2vak n ALA 313 Cb 0.37 -2.23 0.62 0.00 0.00 0.00 0.00 19.45 18.21 2vak n ALA 313 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2vak h ASN 314 N 4.71 0.20 0.58 0.00 2.35 -1.39 -0.55 115.58 121.49 2vak h ASN 314 Ca -0.45 0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.25 2vak h ASN 314 Cb 1.29 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.64 2vak h ASN 314 CO 0.80 0.07 -0.35 1.56 -1.65 0.00 0.00 177.43 177.86 2vak h GLN 315 N 0.19 0.00 -0.00 0.81 4.20 -1.91 -2.95 115.11 115.46 2vak h GLN 315 Ca 0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.18 2vak h GLN 315 Cb 1.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.29 2vak h GLN 315 CO -0.10 0.35 -0.02 0.41 -0.67 0.00 0.00 178.83 178.79 2vak n GLY 316 N -0.16 -1.27 3.40 3.46 0.00 -0.21 -4.83 105.19 105.58 2vak n GLY 316 Ca -0.01 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 2vak n GLY 316 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2vak s VAL 317 N -2.60 2.03 0.79 1.61 -7.23 -1.11 -4.53 120.40 109.35 2vak s VAL 317 Ca 0.27 -2.29 -0.11 0.00 -1.81 0.00 0.00 61.98 58.04 2vak s VAL 317 Cb 0.20 -2.17 0.07 0.00 0.56 0.00 0.00 36.38 35.04 2vak s VAL 317 CO 0.47 -0.50 1.12 0.27 -0.31 0.00 0.00 175.10 176.15 2vak s ILE 318 N -2.79 2.91 0.27 -0.62 -4.36 0.29 -4.85 121.20 112.05 2vak s ILE 318 Ca 0.26 0.32 -0.00 0.00 -0.26 0.00 0.00 60.65 60.97 2vak s ILE 318 Cb -0.02 -2.71 0.27 0.00 1.25 0.00 0.00 42.46 41.25 2vak s ILE 318 CO 0.10 -0.36 1.83 0.78 0.24 0.00 0.00 174.94 177.54 2vak h ASN 319 N -1.08 0.88 0.59 4.36 4.21 -1.91 -0.98 115.58 121.64 2vak h ASN 319 Ca -0.44 0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.11 2vak h ASN 319 Cb 1.25 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 38.32 2vak h ASN 319 CO 0.49 0.48 0.00 0.00 -1.29 0.00 0.00 177.43 177.11 2vak n GLN 320 N -4.64 0.05 0.00 0.81 3.00 -1.26 -2.18 117.38 113.16 2vak n GLN 320 Ca 0.18 0.27 0.09 0.00 -0.01 0.00 0.00 57.00 57.53 2vak n GLN 320 Cb 0.33 -1.59 0.07 0.00 0.00 0.00 0.00 30.24 29.05 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 -1.56 2.53 -1.80 -1.58 0.00 -0.38 -4.92 120.51 112.80 2vak n ALA 321 Ca 0.03 -0.63 -0.34 0.00 0.00 0.00 0.00 53.44 52.50 2vak n ALA 321 Cb 0.20 -0.59 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.49 3.95 -1.56 0.00 -0.21 -0.93 -4.03 119.66 115.40 2vak s GLN 322 Ca 0.20 1.35 0.00 0.00 0.02 0.00 0.00 55.36 56.93 2vak s GLN 322 Cb 0.14 -2.20 0.00 0.00 1.00 0.00 0.00 33.01 31.95 2vak s GLN 322 CO 0.23 -0.31 0.00 0.09 -2.12 0.00 0.00 175.29 173.19 2vak n ASN 323 N -0.72 -5.19 -4.65 5.90 3.02 -1.25 -4.98 115.26 107.39 2vak n ASN 323 Ca 0.08 0.08 -0.43 0.00 -0.03 0.00 0.00 54.58 54.28 2vak n ASN 323 Cb 0.52 -4.37 -0.02 0.00 -0.61 0.00 0.00 39.78 35.31 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 -4.95 4.11 0.00 3.52 6.06 -1.23 -4.93 118.95 121.53 2vak s ARG 324 Ca 0.00 1.29 -0.30 0.00 -2.50 0.00 0.00 55.73 54.22 2vak s ARG 324 Cb 0.00 -3.75 -0.08 0.00 0.06 0.00 0.00 34.95 31.18 2vak s ARG 324 CO 0.00 -0.85 1.88 -2.14 -2.50 0.00 0.00 175.30 171.69 2vak s PRO 325 N 3.63 4.12 0.00 5.12 0.02 -1.26 0.12 135.00 146.76 2vak s PRO 325 Ca 0.49 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.98 2vak s PRO 325 Cb -0.16 -4.12 0.00 0.00 0.02 0.00 0.00 34.50 30.25 2vak s PRO 325 CO 0.15 -0.96 0.00 0.41 -0.33 0.00 0.00 177.00 176.27 2vak n GLY 326 N 4.46 0.94 1.08 0.52 0.00 -1.26 -4.85 105.19 106.08 2vak n GLY 326 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.03 -3.93 1.61 7.35 -0.18 -4.70 117.46 115.58 2vak n PHE 327 Ca 0.00 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.60 2vak n PHE 327 Cb 0.00 0.04 -0.10 0.00 0.35 0.00 0.00 39.48 39.77 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 -5.13 0.15 0.07 -2.13 1.04 0.12 -0.54 113.70 107.28 2vak s SER 328 Ca 0.00 -0.41 -0.26 0.00 0.48 0.00 0.00 55.95 55.75 2vak s SER 328 Cb 0.00 0.17 0.08 0.00 0.10 0.00 0.00 66.02 66.37 2vak s SER 328 CO 0.00 -0.39 0.68 0.00 0.98 0.00 0.00 173.24 174.51 2vak s MET 329 N -1.80 1.13 0.21 4.02 0.23 -0.61 -3.54 119.30 118.94 2vak s MET 329 Ca -0.12 -0.25 -0.30 0.00 -1.03 0.00 0.00 55.69 53.99 2vak s MET 329 Cb -0.06 0.52 -0.09 0.00 -1.53 0.00 0.00 34.83 33.67 2vak s MET 329 CO -0.01 -0.46 1.31 -0.80 -2.03 0.00 0.00 175.02 173.03 2vak s ASN 330 N -2.27 6.89 -0.42 -1.18 0.01 -1.26 -0.95 114.94 115.75 2vak s ASN 330 Ca -0.01 2.42 -0.01 0.00 -0.71 0.00 0.00 52.86 54.55 2vak s ASN 330 Cb -0.01 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.04 2vak s ASN 330 CO -0.06 -0.53 0.19 0.61 -1.51 0.00 0.00 177.10 175.80 2vak n GLY 331 N 2.25 0.38 0.00 0.66 0.00 -1.26 -4.95 105.19 102.27 2vak n GLY 331 Ca 0.06 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.95 1.16 3.69 -0.02 0.00 -1.24 -4.93 105.19 102.90 2vak n GLY 332 Ca -0.03 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 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 1.06 4.34 0.62 2.61 2.01 0.23 -4.09 115.64 122.43 2vak s THR 333 Ca 0.00 1.65 -0.18 0.00 0.31 0.00 0.00 61.69 63.47 2vak s THR 333 Cb 0.00 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 2vak s THR 333 CO 0.00 -0.00 1.18 -2.65 -0.69 0.00 0.00 174.62 172.46 2vak n PRO 334 N 5.21 1.08 -3.65 4.92 -0.02 -1.26 -0.46 135.00 140.82 2vak n PRO 334 Ca 0.11 0.42 -0.39 0.00 -2.02 0.00 0.00 63.50 61.61 2vak n PRO 334 Cb 0.47 -2.40 -0.12 0.00 -0.02 0.00 0.00 33.50 31.42 2vak n PRO 334 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2vak s VAL 335 N -1.42 4.42 0.40 -1.45 1.01 -1.26 -4.20 120.40 117.90 2vak s VAL 335 Ca 0.79 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 61.86 2vak s VAL 335 Cb -0.40 -3.39 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 2vak s VAL 335 CO 0.43 -0.11 0.85 -1.00 0.00 0.00 0.00 175.10 175.27 2vak s HIS 336 N 1.55 3.39 -0.02 5.22 3.76 0.51 -4.87 115.29 124.82 2vak s HIS 336 Ca 0.02 1.35 0.08 0.00 -0.15 0.00 0.00 55.06 56.36 2vak s HIS 336 Cb -0.18 -2.66 -0.02 0.00 1.11 0.00 0.00 32.58 30.83 2vak s HIS 336 CO 0.06 -0.09 -0.25 -1.83 -0.85 0.00 0.00 174.74 171.78 2vak s GLU 337 N -3.40 2.00 -0.13 1.40 -1.05 -1.26 0.91 118.70 117.18 2vak s GLU 337 Ca 0.57 -0.89 0.03 0.00 -0.15 0.00 0.00 54.97 54.53 2vak s GLU 337 Cb -0.10 -1.94 0.01 0.00 -0.44 0.00 0.00 34.13 31.66 2vak s GLU 337 CO 0.21 0.53 -0.22 -0.51 0.95 0.00 0.00 175.26 176.22 2vak s LEU 338 N -0.60 2.09 -0.12 1.83 1.43 -0.17 -3.91 118.68 119.24 2vak s LEU 338 Ca 0.10 -0.59 -0.29 0.00 -1.03 0.00 0.00 54.13 52.32 2vak s LEU 338 Cb -0.10 -1.42 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 2vak s LEU 338 CO -0.01 0.10 1.01 0.21 0.23 0.00 0.00 176.35 177.90 2vak s ASN 339 N 0.66 7.22 0.35 2.29 3.84 -1.26 -0.00 114.94 128.04 2vak s ASN 339 Ca -0.11 1.51 0.11 0.00 0.21 0.00 0.00 52.86 54.58 2vak s ASN 339 Cb -0.16 -2.55 0.65 0.00 -0.55 0.00 0.00 41.25 38.63 2vak s ASN 339 CO 0.02 -0.48 1.79 -0.07 -2.79 0.00 0.00 177.10 175.57 2vak h LEU 340 N 8.23 0.07 0.11 3.21 3.38 -1.95 -1.30 115.31 127.06 2vak h LEU 340 Ca -0.29 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2vak h LEU 340 Cb 1.13 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2vak h LEU 340 CO 0.87 0.44 -0.05 0.25 0.09 0.00 0.00 178.44 180.04 2vak h LEU 341 N 0.06 -0.13 -0.92 1.67 5.85 -1.97 -1.92 115.31 117.95 2vak h LEU 341 Ca 0.00 -0.42 0.25 0.00 0.84 0.00 0.00 57.88 58.55 2vak h LEU 341 Cb 0.70 0.03 -0.14 0.00 0.37 0.00 0.00 40.66 41.62 2vak h LEU 341 CO 0.05 0.50 0.39 0.74 -0.34 0.00 0.00 178.44 179.77 2vak h THR 342 N -0.89 0.37 -0.20 1.05 2.02 -1.96 -1.06 112.91 112.23 2vak h THR 342 Ca -0.02 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 2vak h THR 342 Cb 0.54 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2vak h THR 342 CO 0.03 0.06 0.09 0.74 0.37 0.00 0.00 175.52 176.81 2vak h THR 343 N 0.32 1.14 0.00 3.16 2.02 -1.25 -2.36 112.91 115.94 2vak h THR 343 Ca 0.60 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 67.37 2vak h THR 343 Cb 1.24 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2vak h THR 343 CO -0.60 0.14 -0.07 0.00 0.37 0.00 0.00 175.52 175.36 2vak h ALA 344 N 0.96 1.70 -0.33 6.16 0.00 -0.52 -0.86 119.26 126.37 2vak h ALA 344 Ca 0.07 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2vak h ALA 344 Cb 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2vak h ALA 344 CO -0.01 0.08 -0.08 1.96 0.00 0.00 0.00 179.25 181.20 2vak h GLN 345 N 0.00 0.64 -0.38 0.00 4.20 -0.95 -2.45 115.11 116.16 2vak h GLN 345 Ca -0.00 -0.25 -0.16 0.00 0.06 0.00 0.00 58.65 58.30 2vak h GLN 345 Cb 0.13 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2vak h GLN 345 CO 0.01 0.82 -0.39 0.93 -0.67 0.00 0.00 178.83 179.52 2vak h GLU 346 N 0.43 0.94 0.08 1.46 4.39 -0.90 -2.02 114.58 118.95 2vak h GLU 346 Ca 0.08 -0.50 0.01 0.00 0.34 0.00 0.00 59.36 59.30 2vak h GLU 346 Cb 0.58 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 2vak h GLU 346 CO 0.03 1.15 -0.13 0.00 -1.16 0.00 0.00 179.01 178.90 2vak h ILE 348 N -0.26 1.00 -0.46 0.00 2.04 -1.49 0.11 117.51 118.46 2vak h ILE 348 Ca 0.02 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.53 2vak h ILE 348 Cb 0.28 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 2vak h ILE 348 CO -0.08 0.16 0.09 -0.09 0.00 0.00 0.00 178.15 178.23 2vak h ARG 349 N 0.88 0.70 -0.23 2.37 2.43 -0.87 -1.24 114.38 118.41 2vak h ARG 349 Ca 0.36 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 2vak h ARG 349 Cb 0.20 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2vak h ARG 349 CO -0.19 0.65 0.04 1.96 -1.51 0.00 0.00 179.97 180.92 2vak h GLN 350 N 0.67 0.38 -0.90 0.20 1.08 0.59 -0.26 115.11 116.87 2vak h GLN 350 Ca 0.15 -0.10 0.14 0.00 -1.45 0.00 0.00 58.65 57.38 2vak h GLN 350 Cb 0.29 -0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 27.58 2vak h GLN 350 CO 0.00 0.52 0.52 -1.49 -0.95 0.00 0.00 178.83 177.43 2vak h TRP 351 N 0.19 0.92 -0.08 2.96 6.55 -0.38 0.54 115.95 126.65 2vak h TRP 351 Ca 0.07 0.03 -0.07 0.00 0.95 0.00 0.00 58.89 59.88 2vak h TRP 351 Cb 0.32 -0.27 0.00 0.00 -0.86 0.00 0.00 29.16 28.35 2vak h TRP 351 CO 0.02 0.29 -0.22 0.28 -1.05 0.00 0.00 178.44 177.76 2vak h VAL 352 N 0.77 1.42 -0.19 1.49 2.07 -1.13 0.37 116.25 121.04 2vak h VAL 352 Ca 0.48 -1.57 0.06 0.00 0.82 0.00 0.00 66.70 66.48 2vak h VAL 352 Cb 0.59 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 2vak h VAL 352 CO -0.32 0.45 0.18 0.24 0.02 0.00 0.00 177.57 178.14 2vak h MET 353 N -0.20 0.00 0.00 1.57 2.86 -0.65 -1.46 114.93 117.05 2vak h MET 353 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2vak h MET 353 Cb 0.83 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.49 2vak h MET 353 CO 0.05 0.00 -0.63 0.00 1.06 0.00 0.00 176.91 177.39 2vak n ALA 354 N -2.40 3.22 -0.85 6.32 0.00 0.15 -4.96 120.51 121.99 2vak n ALA 354 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2vak n ALA 354 Cb 0.31 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 1.41 0.50 0.19 0.00 0.00 -0.55 -4.96 105.19 101.77 2vak n GLY 355 Ca 0.04 -0.65 0.08 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 -8.64 0.99 3.38 -0.50 -3.45 115.31 107.09 2vak h LEU 356 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 2vak h LEU 356 Cb 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.60 2vak h LEU 356 CO 0.00 0.24 -0.68 0.68 0.09 0.00 0.00 178.44 178.78 2vak s VAL 357 N -3.14 0.79 1.03 1.22 -7.23 -1.15 -4.99 120.40 106.94 2vak s VAL 357 Ca 0.05 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 58.12 2vak s VAL 357 Cb 0.07 -2.02 0.21 0.00 0.56 0.00 0.00 36.38 35.19 2vak s VAL 357 CO 0.70 -0.58 1.06 -1.20 -0.31 0.00 0.00 175.10 174.78 2vak n SER 358 N -0.21 -0.63 -0.01 4.85 7.64 -1.26 -4.54 113.62 119.46 2vak n SER 358 Ca -0.08 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2vak n SER 358 Cb 0.62 -1.38 0.30 0.00 -1.01 0.00 0.00 64.21 62.75 2vak n SER 358 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2vak h ALA 359 N -2.24 1.39 0.52 -0.43 0.00 -1.98 -2.04 119.26 114.47 2vak h ALA 359 Ca -0.51 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 2vak h ALA 359 Cb 1.30 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.94 2vak h ALA 359 CO 0.44 0.43 -0.25 0.00 0.00 0.00 0.00 179.25 179.88 2vak h ALA 360 N 1.51 -0.93 -0.12 0.00 0.00 -2.00 -2.40 119.26 115.32 2vak h ALA 360 Ca 0.12 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2vak h ALA 360 Cb 0.29 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2vak h ALA 360 CO 0.01 -0.88 0.29 -0.22 0.00 0.00 0.00 179.25 178.44 2vak h LYS 361 N -0.86 0.00 -0.01 0.00 3.64 -1.93 0.50 116.57 117.91 2vak h LYS 361 Ca -0.07 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.16 2vak h LYS 361 Cb 0.53 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 2vak h LYS 361 CO 0.12 0.00 -0.70 0.78 -2.27 0.00 0.00 179.45 177.37 2vak h GLY 362 N 0.00 0.04 0.79 5.01 0.00 -1.28 -1.76 103.07 105.87 2vak h GLY 362 Ca 0.05 -0.06 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 2vak h GLY 362 CO -0.00 0.05 -0.63 1.46 0.00 0.00 0.00 176.54 177.42 2vak h GLN 363 N 0.02 0.41 -0.54 4.80 4.20 0.50 -2.59 115.11 121.91 2vak h GLN 363 Ca -0.01 -0.46 -0.04 0.00 0.06 0.00 0.00 58.65 58.20 2vak h GLN 363 Cb 1.24 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 29.13 2vak h GLN 363 CO 0.09 1.12 0.17 0.00 -0.67 0.00 0.00 178.83 179.55 2vak h ALA 364 N 0.30 0.71 -0.66 3.87 0.00 -1.40 -0.95 119.26 121.13 2vak h ALA 364 Ca -0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2vak h ALA 364 Cb 1.35 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2vak h ALA 364 CO 0.12 0.37 0.38 -0.07 0.00 0.00 0.00 179.25 180.05 2vak h LEU 365 N 0.75 0.82 -1.28 0.00 3.38 -1.43 -0.37 115.31 117.19 2vak h LEU 365 Ca 0.18 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 2vak h LEU 365 Cb 0.27 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2vak h LEU 365 CO -0.01 0.66 -0.35 0.74 0.09 0.00 0.00 178.44 179.57 2vak h THR 366 N 0.91 1.14 0.31 0.22 2.02 -1.35 -2.47 112.91 113.69 2vak h THR 366 Ca 0.24 -1.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.15 2vak h THR 366 Cb 0.01 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 2vak h THR 366 CO -0.04 0.34 -0.15 -0.61 0.37 0.00 0.00 175.52 175.43 2vak h GLN 367 N 0.00 -0.41 -1.34 6.66 5.75 -0.82 -2.67 115.11 122.28 2vak h GLN 367 Ca -0.00 0.03 0.41 0.00 -0.15 0.00 0.00 58.65 58.94 2vak h GLN 367 Cb 0.66 0.09 -0.11 0.00 1.07 0.00 0.00 27.48 29.20 2vak h GLN 367 CO 0.05 -0.08 0.89 0.93 -2.65 0.00 0.00 178.83 177.97 2vak h GLU 368 N -0.92 0.11 0.01 1.69 5.08 -1.06 -2.21 114.58 117.28 2vak h GLU 368 Ca -0.04 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2vak h GLU 368 Cb 0.52 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.75 2vak h GLU 368 CO 0.07 0.07 -0.24 0.00 -1.00 0.00 0.00 179.01 177.91 2vak h ALA 369 N 1.51 0.01 -0.87 3.43 0.00 -1.34 -2.70 119.26 119.30 2vak h ALA 369 Ca 0.77 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 55.21 2vak h ALA 369 Cb 2.51 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 20.28 2vak h ALA 369 CO -0.30 0.08 0.57 -0.91 0.00 0.00 0.00 179.25 178.70 2vak h ASN 370 N -0.59 0.99 0.12 0.00 2.35 -1.17 -1.38 115.58 115.88 2vak h ASN 370 Ca -0.03 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 2vak h ASN 370 Cb 1.05 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 2vak h ASN 370 CO 0.05 0.71 -0.32 0.44 -1.65 0.00 0.00 177.43 176.66 2vak h ASP 371 N 1.16 0.31 0.20 5.81 3.45 -1.45 -0.09 116.42 125.81 2vak h ASP 371 Ca 0.33 -0.11 -0.27 0.00 0.43 0.00 0.00 57.03 57.40 2vak h ASP 371 Cb -0.11 -0.08 0.02 0.00 -0.56 0.00 0.00 39.33 38.60 2vak h ASP 371 CO -0.08 0.62 -1.14 0.15 -1.57 0.00 0.00 179.24 177.22 2vak h PHE 372 N 0.27 0.88 -0.70 4.55 3.57 -1.33 -2.56 116.94 121.62 2vak h PHE 372 Ca 0.04 -0.53 -0.03 0.00 3.53 0.00 0.00 57.97 60.97 2vak h PHE 372 Cb 0.70 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 2vak h PHE 372 CO 0.01 1.37 0.31 1.03 -2.23 0.00 0.00 178.31 178.80 2vak h SER 373 N 0.27 0.92 -0.62 0.41 0.87 -0.90 0.18 113.55 114.69 2vak h SER 373 Ca -0.15 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.29 2vak h SER 373 Cb 1.80 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 63.49 2vak h SER 373 CO 0.21 0.80 0.34 0.78 -0.53 0.00 0.00 176.83 178.43 2vak h ASN 374 N 1.00 0.77 -0.15 6.23 2.35 -1.06 0.85 115.58 125.57 2vak h ASN 374 Ca 0.24 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 2vak h ASN 374 Cb 0.15 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 2vak h ASN 374 CO -0.03 0.64 -0.01 0.25 -1.65 0.00 0.00 177.43 176.64 2vak h LEU 375 N 0.84 0.27 -0.40 1.61 6.46 -1.00 -2.08 115.31 121.01 2vak h LEU 375 Ca 0.22 -0.32 -0.06 0.00 -0.12 0.00 0.00 57.88 57.60 2vak h LEU 375 Cb 0.04 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.88 2vak h LEU 375 CO -0.04 0.53 0.01 0.40 -0.62 0.00 0.00 178.44 178.72 2vak h ILE 376 N 0.01 1.26 -0.78 4.05 1.08 -0.66 -2.27 117.51 120.20 2vak h ILE 376 Ca 0.04 -0.99 0.05 0.00 -0.39 0.00 0.00 64.86 63.57 2vak h ILE 376 Cb 0.39 1.11 -0.05 0.00 -3.07 0.00 0.00 36.82 35.21 2vak h ILE 376 CO 0.01 0.34 0.51 -0.61 -0.69 0.00 0.00 178.15 177.71 2vak h GLN 377 N 0.53 0.85 0.02 2.37 4.15 -0.84 -0.96 115.11 121.23 2vak h GLN 377 Ca 0.11 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 2vak h GLN 377 Cb 0.46 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.96 2vak h GLN 377 CO 0.02 0.56 -0.01 0.00 -1.93 0.00 0.00 178.83 177.47 2vak h ALA 378 N 1.57 -0.03 -0.12 3.38 0.00 -1.25 -2.23 119.26 120.58 2vak h ALA 378 Ca 0.33 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2vak h ALA 378 Cb 0.17 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2vak h ALA 378 CO -0.11 -0.30 -0.32 -0.44 0.00 0.00 0.00 179.25 178.08 2vak h ASP 379 N -0.45 0.24 0.73 0.00 3.32 -1.24 -1.73 116.42 117.29 2vak h ASP 379 Ca -0.00 -0.08 -0.20 0.00 0.02 0.00 0.00 57.03 56.76 2vak h ASP 379 Cb 0.43 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2vak h ASP 379 CO 0.00 0.56 -0.93 -0.07 -1.72 0.00 0.00 179.24 177.09 2vak h LEU 380 N 0.21 0.16 -1.05 1.55 3.38 -1.29 -2.84 115.31 115.43 2vak h LEU 380 Ca 0.03 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2vak h LEU 380 Cb 0.68 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 2vak h LEU 380 CO 0.05 1.00 0.54 1.23 0.09 0.00 0.00 178.44 181.34 2vak h GLY 381 N 2.19 1.27 0.92 0.83 0.00 -1.11 -0.26 103.07 106.91 2vak h GLY 381 Ca -0.04 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 46.74 2vak h GLY 381 CO 0.13 0.50 -0.37 1.46 0.00 0.00 0.00 176.54 178.27 2vak h GLN 382 N 1.21 -0.94 -0.54 4.80 1.08 -1.28 -1.96 115.11 117.49 2vak h GLN 382 Ca 0.32 0.06 0.04 0.00 -1.45 0.00 0.00 58.65 57.62 2vak h GLN 382 Cb -0.06 0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.54 2vak h GLN 382 CO -0.06 -0.63 0.30 0.82 -0.95 0.00 0.00 178.83 178.31 2vak h ILE 383 N -0.97 1.00 0.40 2.54 2.04 -1.38 -1.41 117.51 119.72 2vak h ILE 383 Ca -0.09 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2vak h ILE 383 Cb 0.77 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 2vak h ILE 383 CO 0.12 0.11 -0.45 0.50 0.00 0.00 0.00 178.15 178.42 2vak h LYS 384 N 0.58 -0.85 -0.59 2.37 3.64 -1.04 0.30 116.57 120.98 2vak h LYS 384 Ca 0.23 0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.69 2vak h LYS 384 Cb 0.09 0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 2vak h LYS 384 CO -0.13 -0.56 0.37 0.00 -2.27 0.00 0.00 179.45 176.85 2vak h ALA 385 N -0.59 0.76 0.05 5.00 0.00 -0.96 0.19 119.26 123.71 2vak h ALA 385 Ca -0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2vak h ALA 385 Cb 0.79 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2vak h ALA 385 CO -0.10 0.13 -0.02 1.96 0.00 0.00 0.00 179.25 181.22 2vak h GLN 386 N 0.75 -0.06 -0.38 0.00 4.20 -1.30 -2.37 115.11 115.96 2vak h GLN 386 Ca 0.23 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.99 2vak h GLN 386 Cb -0.02 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 2vak h GLN 386 CO -0.08 0.00 0.14 -0.44 -0.67 0.00 0.00 178.83 177.78 2vak h ASP 387 N -0.11 0.16 0.72 1.46 5.19 -0.17 -0.91 116.42 122.76 2vak h ASP 387 Ca -0.01 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.41 2vak h ASP 387 Cb 0.09 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 2vak h ASP 387 CO 0.01 0.13 -0.48 0.44 -3.12 0.00 0.00 179.24 176.22 2vak h ASP 388 N 0.30 -1.22 -0.34 6.45 3.32 -0.61 -0.01 116.42 124.31 2vak h ASP 388 Ca 0.17 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.35 2vak h ASP 388 Cb 0.14 0.37 -0.08 0.00 0.22 0.00 0.00 39.33 39.97 2vak h ASP 388 CO -0.17 -0.72 -0.50 0.00 -1.72 0.00 0.00 179.24 176.14 2vak h ALA 389 N -1.01 -0.65 -0.36 3.45 0.00 -1.42 -0.06 119.26 119.21 2vak h ALA 389 Ca -0.09 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2vak h ALA 389 Cb 0.92 0.99 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 2vak h ALA 389 CO 0.07 -0.98 0.09 -0.07 0.00 0.00 0.00 179.25 178.36 2vak h LEU 390 N -0.41 0.55 -1.18 0.00 3.38 -1.12 -0.96 115.31 115.56 2vak h LEU 390 Ca 0.09 -0.23 0.10 0.00 0.09 0.00 0.00 57.88 57.92 2vak h LEU 390 Cb 0.61 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 2vak h LEU 390 CO -0.54 0.64 0.58 0.22 0.09 0.00 0.00 178.44 179.43 2vak h TYR 391 N 0.43 0.98 0.00 1.13 5.03 -0.90 0.52 116.97 124.17 2vak h TYR 391 Ca 0.11 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.37 2vak h TYR 391 Cb 0.31 -0.32 -0.01 0.00 1.55 0.00 0.00 36.73 38.26 2vak h TYR 391 CO 0.02 0.45 -0.39 -0.97 -1.32 0.00 0.00 178.16 175.95 2vak h ASN 392 N 0.91 0.00 0.00 -2.11 -1.24 0.08 -3.39 115.58 109.83 2vak h ASN 392 Ca 0.42 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.39 2vak h ASN 392 Cb 0.39 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.43 2vak h ASN 392 CO -0.18 0.39 -1.15 0.00 -1.29 0.00 0.00 177.43 175.20 2vak n GLN 393 N -3.38 3.35 -3.69 6.67 6.02 -0.47 -4.97 117.38 120.92 2vak n GLN 393 Ca 0.01 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.61 2vak n GLN 393 Cb 0.58 -1.06 -0.11 0.00 1.02 0.00 0.00 30.24 30.67 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 -2.05 2.45 0.40 -1.09 2.00 0.18 -5.07 119.66 116.48 2vak s GLN 394 Ca -0.01 -1.50 -0.27 0.00 -2.00 0.00 0.00 55.36 51.59 2vak s GLN 394 Cb 0.01 -3.64 -0.09 0.00 0.80 0.00 0.00 33.01 30.09 2vak s GLN 394 CO 0.09 -0.92 1.36 -2.14 -0.50 0.00 0.00 175.29 173.18 2vak s PRO 395 N 1.34 3.99 0.00 1.67 0.02 -1.26 -2.53 135.00 138.22 2vak s PRO 395 Ca 0.03 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.33 2vak s PRO 395 Cb -0.22 -2.82 0.00 0.00 0.02 0.00 0.00 34.50 31.48 2vak s PRO 395 CO 0.00 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 176.56 2vak n GLY 396 N 0.64 0.75 3.73 0.52 0.00 -1.26 -5.02 105.19 104.55 2vak n GLY 396 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.70 3.27 -0.33 1.61 5.04 -1.05 -4.57 117.35 118.63 2vak s TYR 397 Ca 0.00 1.12 -0.14 0.00 -2.44 0.00 0.00 57.07 55.61 2vak s TYR 397 Cb 0.00 -3.62 -0.02 0.00 0.35 0.00 0.00 41.96 38.68 2vak s TYR 397 CO 0.00 -2.02 0.32 0.00 -1.34 0.00 0.00 175.55 172.51 2vak s ALA 398 N 0.59 3.51 0.49 3.97 0.00 -1.26 -3.70 121.76 125.36 2vak s ALA 398 Ca 0.60 -1.20 -0.21 0.00 0.00 0.00 0.00 51.96 51.14 2vak s ALA 398 Cb -0.36 -2.74 -0.07 0.00 0.00 0.00 0.00 23.12 19.95 2vak s ALA 398 CO 0.34 -0.95 1.13 1.03 0.00 0.00 0.00 175.76 177.31 2vak s ARG 399 N 1.92 3.61 -0.15 0.00 0.52 0.00 -4.97 118.95 119.88 2vak s ARG 399 Ca 0.10 1.66 0.18 0.00 -0.52 0.00 0.00 55.73 57.15 2vak s ARG 399 Cb -0.17 -2.22 -0.25 0.00 0.52 0.00 0.00 34.95 32.83 2vak s ARG 399 CO 0.11 -0.65 0.22 0.54 0.02 0.00 0.00 175.30 175.54 2vak n ARG 400 N -0.85 0.68 -4.10 3.54 1.74 -1.26 -4.93 116.66 111.47 2vak n ARG 400 Ca 0.09 0.02 -0.09 0.00 -0.77 0.00 0.00 57.85 57.10 2vak n ARG 400 Cb 0.50 -1.57 -0.10 0.00 -1.02 0.00 0.00 32.46 30.27 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 -2.63 0.14 0.25 0.55 -4.36 -1.26 -4.45 121.20 109.44 2vak s ILE 401 Ca -0.09 -1.81 -0.31 0.00 -0.26 0.00 0.00 60.65 58.18 2vak s ILE 401 Cb 0.07 -1.81 -0.13 0.00 1.25 0.00 0.00 42.46 41.84 2vak s ILE 401 CO 0.84 -0.65 1.48 1.17 0.24 0.00 0.00 174.94 178.02 2vak n LYS 402 N -0.03 2.27 -1.58 0.37 4.81 -1.26 -4.94 118.16 117.80 2vak n LYS 402 Ca -0.09 0.81 -0.43 0.00 -0.87 0.00 0.00 58.31 57.72 2vak n LYS 402 Cb 0.63 -2.52 -0.01 0.00 0.02 0.00 0.00 35.03 33.15 2vak n LYS 402 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2vak n PRO 403 N 2.19 1.28 -4.25 1.64 -0.02 -1.26 -5.03 135.00 129.56 2vak n PRO 403 Ca 0.11 0.45 -0.14 0.00 -2.02 0.00 0.00 63.50 61.90 2vak n PRO 403 Cb 0.33 -1.86 -0.10 0.00 -0.02 0.00 0.00 33.50 31.84 2vak n PRO 403 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2vak s PHE 404 N -1.15 1.31 0.17 6.00 -0.71 -1.26 -5.01 117.98 117.33 2vak s PHE 404 Ca 0.60 -1.26 0.10 0.00 -1.04 0.00 0.00 56.93 55.33 2vak s PHE 404 Cb -0.65 -0.71 -0.04 0.00 -1.21 0.00 0.00 43.02 40.40 2vak s PHE 404 CO 0.59 -0.47 -0.18 0.14 -1.34 0.00 0.00 175.22 173.95 2vak s VAL 405 N -3.95 2.72 0.12 -2.49 -7.23 -1.26 -5.05 120.40 103.27 2vak s VAL 405 Ca 0.37 -1.80 0.30 0.00 -1.81 0.00 0.00 61.98 59.04 2vak s VAL 405 Cb 0.07 -2.31 0.33 0.00 0.56 0.00 0.00 36.38 35.04 2vak s VAL 405 CO 0.12 -0.07 1.92 0.78 -0.31 0.00 0.00 175.10 177.55 2vak h ASN 406 N 3.23 0.00 0.53 4.85 2.35 -2.03 -2.45 115.58 122.06 2vak h ASN 406 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 2vak h ASN 406 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 2vak h ASN 406 CO 0.49 0.09 0.00 1.23 -1.65 0.00 0.00 177.43 177.59 2vak h GLY 407 N 2.03 0.00 2.00 2.83 0.00 -2.00 -2.91 103.07 105.02 2vak h GLY 407 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2vak h GLY 407 CO 0.01 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.77 2vak n ASP 408 N -2.38 0.26 0.04 0.19 8.00 -0.92 -2.13 116.55 119.61 2vak n ASP 408 Ca 0.01 0.59 0.12 0.00 0.71 0.00 0.00 54.79 56.22 2vak n ASP 408 Cb 0.18 -0.63 0.29 0.00 -0.02 0.00 0.00 41.12 40.93 2vak n ASP 408 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2vak n TRP 409 N -1.81 0.40 -1.40 1.24 7.02 -1.10 -3.82 117.44 117.96 2vak n TRP 409 Ca 0.01 0.11 -0.30 0.00 -1.02 0.00 0.00 57.50 56.30 2vak n TRP 409 Cb 0.10 -0.57 0.10 0.00 -2.42 0.00 0.00 31.31 28.51 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 -3.09 3.15 0.29 -0.99 -4.23 -0.90 -4.97 115.64 104.89 2vak s THR 410 Ca 0.09 0.37 -0.02 0.00 -1.18 0.00 0.00 61.69 60.96 2vak s THR 410 Cb 0.15 -3.00 0.24 0.00 1.34 0.00 0.00 72.50 71.23 2vak s THR 410 CO 0.67 -0.49 1.93 -0.65 -0.54 0.00 0.00 174.62 175.55 2vak h PRO 411 N -1.17 1.03 0.00 3.99 0.11 -1.90 -3.46 132.00 130.61 2vak h PRO 411 Ca -0.47 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.55 2vak h PRO 411 Cb 1.26 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2vak h PRO 411 CO 0.56 0.73 0.00 0.41 -0.21 0.00 0.00 178.00 179.49 2vak n GLY 412 N -1.28 3.38 1.90 -0.55 0.00 -1.26 -2.88 105.19 104.49 2vak n GLY 412 Ca 0.08 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 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 1.91 -0.18 1.61 2.81 -1.26 -4.61 117.12 131.40 2vak n MET 413 Ca 0.00 -2.19 -0.05 0.00 -1.81 0.00 0.00 57.70 53.64 2vak n MET 413 Cb 0.00 -1.86 0.04 0.00 -0.71 0.00 0.00 33.22 30.69 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 0.73 1.05 -0.41 2.03 2.02 -1.64 -2.61 112.91 114.08 2vak h THR 414 Ca 0.47 -0.22 0.06 0.00 0.77 0.00 0.00 66.41 67.48 2vak h THR 414 Cb 2.36 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 69.08 2vak h THR 414 CO 0.81 0.12 0.12 0.00 0.37 0.00 0.00 175.52 176.93 2vak h ALA 415 N 1.24 0.47 -0.59 6.16 0.00 -1.88 -0.36 119.26 124.30 2vak h ALA 415 Ca 0.22 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.30 2vak h ALA 415 Cb 0.03 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 2vak h ALA 415 CO -0.10 -0.28 0.13 1.96 0.00 0.00 0.00 179.25 180.96 2vak h GLN 416 N 0.27 0.26 -0.14 0.00 7.50 -1.88 -1.91 115.11 119.20 2vak h GLN 416 Ca 0.19 -0.02 -0.11 0.00 0.50 0.00 0.00 58.65 59.22 2vak h GLN 416 Cb 0.21 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.67 2vak h GLN 416 CO -0.22 0.17 -0.41 0.00 -1.50 0.00 0.00 178.83 176.87 2vak h ALA 417 N 1.46 1.05 -0.02 3.87 0.00 -0.86 -2.15 119.26 122.61 2vak h ALA 417 Ca 0.30 -0.42 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 2vak h ALA 417 Cb 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2vak h ALA 417 CO -0.38 0.60 -0.84 -0.07 0.00 0.00 0.00 179.25 178.56 2vak h LEU 418 N 0.26 0.39 -0.18 0.00 3.38 -0.94 -1.77 115.31 116.46 2vak h LEU 418 Ca 0.02 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 2vak h LEU 418 Cb 0.83 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 2vak h LEU 418 CO 0.07 1.07 -0.25 0.00 0.09 0.00 0.00 178.44 179.41 2vak h ALA 419 N 0.92 0.27 -0.45 1.53 0.00 -1.20 -1.11 119.26 119.22 2vak h ALA 419 Ca -0.05 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.54 2vak h ALA 419 Cb 1.45 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 2vak h ALA 419 CO 0.14 0.25 0.17 0.28 0.00 0.00 0.00 179.25 180.08 2vak h VAL 420 N 0.13 0.87 -0.18 0.00 2.07 -1.45 -2.84 116.25 114.84 2vak h VAL 420 Ca 0.02 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 2vak h VAL 420 Cb 0.82 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2vak h VAL 420 CO 0.06 0.06 -0.30 -0.07 0.02 0.00 0.00 177.57 177.34 2vak h LEU 421 N 0.34 0.36 -1.36 2.57 3.38 -1.23 -2.88 115.31 116.50 2vak h LEU 421 Ca 0.21 -0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.17 2vak h LEU 421 Cb 0.20 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 2vak h LEU 421 CO -0.21 0.65 0.53 0.00 0.09 0.00 0.00 178.44 179.51 2vak h ALA 422 N 1.37 1.82 0.00 1.53 0.00 -0.95 -1.74 119.26 121.30 2vak h ALA 422 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2vak h ALA 422 Cb 0.69 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2vak h ALA 422 CO 0.05 -0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.54 2vak n THR 423 N -4.52 0.73 1.70 0.00 -2.24 -1.08 -3.75 114.28 105.12 2vak n THR 423 Ca 0.15 0.18 0.04 0.00 -2.27 0.00 0.00 64.05 62.15 2vak n THR 423 Cb 0.39 -0.95 0.23 0.00 -2.10 0.00 0.00 70.33 67.90 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 -1.34 0.00 0.03 4.78 3.01 -0.65 -2.36 117.46 120.93 2vak n PHE 424 Ca 0.06 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.52 2vak n PHE 424 Cb 0.12 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.60 2vak n PHE 424 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 2vak n THR 425 N -0.64 0.31 0.93 4.37 5.66 -1.25 -4.81 114.28 118.85 2vak n THR 425 Ca 0.06 -0.66 0.11 0.00 -3.05 0.00 0.00 64.05 60.51 2vak n THR 425 Cb 0.03 0.86 0.09 0.00 -1.55 0.00 0.00 70.33 69.76 2vak n THR 425 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02