#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vak n GLU 6 N 0.00 0.00 -0.02 -1.46 2.13 -1.26 -4.82 120.64 115.20 2vak n GLU 6 Ca 0.00 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.82 2vak n GLU 6 Cb 0.00 -0.17 -0.13 0.00 0.27 0.00 0.00 31.44 31.41 2vak n GLU 6 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2vak n PHE 7 N -2.06 0.36 -2.33 4.31 3.72 -1.26 -4.81 117.46 115.39 2vak n PHE 7 Ca 0.00 0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 2vak n PHE 7 Cb 0.00 -0.88 0.00 0.00 -0.94 0.00 0.00 39.48 37.66 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 1.47 -1.84 3.56 1.37 0.00 -1.26 -4.74 105.19 103.76 2vak n GLY 8 Ca -0.16 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 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 6.30 -0.01 1.61 0.01 -1.26 -4.83 113.70 111.52 2vak s SER 9 Ca 0.00 -0.22 0.09 0.00 1.31 0.00 0.00 55.95 57.13 2vak s SER 9 Cb 0.00 -2.55 -0.12 0.00 0.21 0.00 0.00 66.02 63.57 2vak s SER 9 CO 0.00 -1.65 0.29 0.35 0.41 0.00 0.00 173.24 172.65 2vak n THR 10 N 6.49 0.00 -2.41 1.44 -2.24 -1.26 -4.81 114.28 111.48 2vak n THR 10 Ca 0.05 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 2vak n THR 10 Cb 0.49 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 69.36 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 -2.20 4.44 0.94 -0.78 -1.94 -1.26 -4.78 119.30 113.73 2vak s MET 11 Ca 0.00 1.79 -0.11 0.00 -1.71 0.00 0.00 55.69 55.66 2vak s MET 11 Cb 0.06 -3.33 0.16 0.00 2.01 0.00 0.00 34.83 33.73 2vak s MET 11 CO 0.37 -0.23 1.11 0.00 -0.01 0.00 0.00 175.02 176.26 2vak s ALA 12 N 0.88 1.20 0.42 3.03 0.00 -1.26 -1.20 121.76 124.83 2vak s ALA 12 Ca 0.58 0.36 -0.23 0.00 0.00 0.00 0.00 51.96 52.67 2vak s ALA 12 Cb -0.30 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.36 2vak s ALA 12 CO 0.30 -2.81 1.01 0.50 0.00 0.00 0.00 175.76 174.76 2vak s ARG 13 N -4.67 4.13 0.00 0.00 6.06 -0.11 -3.98 118.95 120.38 2vak s ARG 13 Ca 0.66 1.37 0.00 0.00 -2.50 0.00 0.00 55.73 55.26 2vak s ARG 13 Cb -0.22 -2.39 0.00 0.00 0.06 0.00 0.00 34.95 32.40 2vak s ARG 13 CO 0.59 -0.14 0.00 0.00 -2.50 0.00 0.00 175.30 173.24 2vak n ALA 14 N -0.34 0.00 -3.49 6.12 0.00 -1.26 -4.97 120.51 116.58 2vak n ALA 14 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.14 2vak n ALA 14 Cb 0.51 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.83 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 0.00 3.29 -0.95 0.00 1.01 -1.26 -5.05 121.20 118.24 2vak s ILE 15 Ca 0.00 -1.27 -0.09 0.00 0.00 0.00 0.00 60.65 59.29 2vak s ILE 15 Cb 0.00 -2.87 0.24 0.00 0.01 0.00 0.00 42.46 39.84 2vak s ILE 15 CO 0.00 -0.12 0.90 -0.31 0.00 0.00 0.00 174.94 175.40 2vak s TYR 16 N 1.31 3.99 0.20 3.97 2.02 -1.26 -5.05 117.35 122.53 2vak s TYR 16 Ca -0.04 -2.55 -0.05 0.00 -0.37 0.00 0.00 57.07 54.06 2vak s TYR 16 Cb -0.20 -3.68 -0.06 0.00 -0.40 0.00 0.00 41.96 37.63 2vak s TYR 16 CO 0.00 -0.92 0.45 -0.51 -1.57 0.00 0.00 175.55 173.01 2vak s ASP 17 N 1.26 6.49 -0.04 2.29 1.01 -1.26 -0.26 116.67 126.16 2vak s ASP 17 Ca 0.25 0.65 0.05 0.00 0.71 0.00 0.00 52.55 54.22 2vak s ASP 17 Cb -0.10 -2.12 -0.01 0.00 1.01 0.00 0.00 42.92 41.70 2vak s ASP 17 CO -0.09 -0.04 -0.20 0.12 0.21 0.00 0.00 175.17 175.18 2vak s PHE 18 N -1.81 1.95 -0.16 4.23 5.36 0.20 -4.84 117.98 122.92 2vak s PHE 18 Ca 0.43 -0.55 -0.01 0.00 -0.96 0.00 0.00 56.93 55.84 2vak s PHE 18 Cb -0.11 -1.30 -0.01 0.00 -0.34 0.00 0.00 43.02 41.26 2vak s PHE 18 CO 0.26 -0.17 -0.13 0.12 -1.46 0.00 0.00 175.22 173.84 2vak s PHE 19 N -0.08 2.82 0.17 10.12 5.36 -1.26 -0.88 117.98 134.24 2vak s PHE 19 Ca -0.03 -0.89 -0.16 0.00 -0.96 0.00 0.00 56.93 54.90 2vak s PHE 19 Cb -0.12 -1.91 -0.07 0.00 -0.34 0.00 0.00 43.02 40.58 2vak s PHE 19 CO 0.02 -0.39 0.61 -1.54 -1.46 0.00 0.00 175.22 172.46 2vak s SER 20 N 0.76 6.90 0.14 6.13 1.04 -0.02 -4.17 113.70 124.49 2vak s SER 20 Ca -0.05 1.19 -0.34 0.00 0.48 0.00 0.00 55.95 57.23 2vak s SER 20 Cb -0.15 -2.33 -0.16 0.00 0.10 0.00 0.00 66.02 63.48 2vak s SER 20 CO 0.01 0.08 1.25 0.41 0.98 0.00 0.00 173.24 175.97 2vak n THR 21 N 0.77 0.52 -2.35 2.02 -1.04 -1.26 -2.22 114.28 110.72 2vak n THR 21 Ca -0.04 -0.13 -0.34 0.00 -2.04 0.00 0.00 64.05 61.50 2vak n THR 21 Cb 0.52 -0.88 -0.01 0.00 -1.82 0.00 0.00 70.33 68.13 2vak n THR 21 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2vak s PRO 22 N -0.01 3.57 0.24 -2.82 0.05 -1.26 -2.42 135.00 132.36 2vak s PRO 22 Ca 0.77 1.38 -0.16 0.00 0.05 0.00 0.00 61.00 63.04 2vak s PRO 22 Cb -0.88 -2.06 0.01 0.00 0.05 0.00 0.00 34.50 31.62 2vak s PRO 22 CO 0.50 -0.62 0.55 -0.59 0.05 0.00 0.00 177.00 176.88 2vak s PHE 23 N -2.06 0.12 0.00 0.56 -0.71 -1.26 -4.89 117.98 109.75 2vak s PHE 23 Ca 0.67 -0.51 0.00 0.00 -1.04 0.00 0.00 56.93 56.06 2vak s PHE 23 Cb -0.18 0.36 0.00 0.00 -1.21 0.00 0.00 43.02 41.99 2vak s PHE 23 CO 0.26 -1.04 0.00 0.41 -1.34 0.00 0.00 175.22 173.51 2vak n GLY 24 N -0.39 1.85 0.00 1.99 0.00 -1.26 -4.95 105.19 102.43 2vak n GLY 24 Ca -0.04 -1.89 0.06 0.00 0.00 0.00 0.00 46.02 44.15 2vak n GLY 24 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2vak n ASN 25 N 0.00 0.00 -0.39 1.61 3.02 -1.26 -3.23 115.26 115.01 2vak n ASN 25 Ca 0.00 0.31 0.07 0.00 -0.03 0.00 0.00 54.58 54.94 2vak n ASN 25 Cb 0.00 -0.40 0.16 0.00 -0.61 0.00 0.00 39.78 38.93 2vak n ASN 25 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2vak n ARG 26 N -1.40 1.27 0.00 3.52 5.12 -1.26 -5.11 116.66 118.80 2vak n ARG 26 Ca 0.04 -2.77 0.00 0.00 -1.93 0.00 0.00 57.85 53.20 2vak n ARG 26 Cb 0.12 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.00 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 -1.13 -2.37 3.69 -0.13 0.00 -1.20 -4.80 105.19 99.25 2vak n GLY 27 Ca 0.16 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 2vak n GLY 27 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2vak s LEU 28 N 0.00 4.39 -1.54 0.99 2.96 -1.26 -4.23 118.68 119.99 2vak s LEU 28 Ca 0.00 2.72 -0.11 0.00 -0.22 0.00 0.00 54.13 56.52 2vak s LEU 28 Cb 0.00 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.10 2vak s LEU 28 CO 0.00 -0.98 2.66 0.00 -1.32 0.00 0.00 176.35 176.71 2vak n ALA 29 N 5.43 6.82 -3.63 5.97 0.00 -1.26 -4.75 120.51 129.10 2vak n ALA 29 Ca 0.17 -3.71 -0.11 0.00 0.00 0.00 0.00 53.44 49.80 2vak n ALA 29 Cb 0.38 -3.37 -0.03 0.00 0.00 0.00 0.00 19.45 16.43 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 3.89 0.00 -3.81 0.00 5.66 -1.24 -1.02 114.28 117.75 2vak n THR 30 Ca 0.68 -1.17 -0.05 0.00 -3.05 0.00 0.00 64.05 60.45 2vak n THR 30 Cb 0.29 0.63 -0.01 0.00 -1.55 0.00 0.00 70.33 69.69 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 -2.21 -0.16 0.26 1.09 2.20 -1.26 -4.58 114.94 110.27 2vak s ASN 31 Ca 0.19 -0.62 -0.02 0.00 -0.94 0.00 0.00 52.86 51.48 2vak s ASN 31 Cb 0.00 0.62 0.49 0.00 -2.00 0.00 0.00 41.25 40.37 2vak s ASN 31 CO 0.14 -1.18 1.78 -0.09 -2.94 0.00 0.00 177.10 174.81 2vak h ARG 32 N 2.00 0.69 -0.10 3.55 2.43 -1.94 -0.67 114.38 120.34 2vak h ARG 32 Ca -0.24 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2vak h ARG 32 Cb 1.24 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2vak h ARG 32 CO 0.28 0.46 0.06 1.15 -1.51 0.00 0.00 179.97 180.40 2vak h THR 33 N 0.71 1.07 -0.49 0.20 2.02 -1.97 -0.57 112.91 113.89 2vak h THR 33 Ca 0.44 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.41 2vak h THR 33 Cb 0.54 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 2vak h THR 33 CO -0.31 0.07 0.26 -0.61 0.37 0.00 0.00 175.52 175.30 2vak h GLN 34 N 0.08 0.68 -0.35 6.66 4.15 -1.82 -2.49 115.11 122.02 2vak h GLN 34 Ca 0.03 -0.08 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 2vak h GLN 34 Cb 0.06 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 2vak h GLN 34 CO -0.01 0.54 0.09 -0.07 -1.93 0.00 0.00 178.83 177.45 2vak h LEU 35 N 0.64 0.53 -0.78 -2.39 3.38 -1.07 -2.90 115.31 112.72 2vak h LEU 35 Ca 0.17 -0.23 0.12 0.00 0.09 0.00 0.00 57.88 58.03 2vak h LEU 35 Cb 0.06 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.59 2vak h LEU 35 CO -0.03 0.62 0.40 0.28 0.09 0.00 0.00 178.44 179.81 2vak h SER 36 N 0.42 0.51 0.01 -0.43 0.02 -1.07 -1.57 113.55 111.44 2vak h SER 36 Ca 0.11 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2vak h SER 36 Cb 0.30 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 2vak h SER 36 CO 0.00 0.26 -0.00 0.77 -1.14 0.00 0.00 176.83 176.72 2vak h SER 37 N 0.64 0.00 1.52 3.07 4.64 -1.23 -2.65 113.55 119.53 2vak h SER 37 Ca 0.40 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.66 2vak h SER 37 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2vak h SER 37 CO -0.31 0.00 -0.49 -0.07 -0.87 0.00 0.00 176.83 175.09 2vak h LEU 38 N 0.00 0.00 -9.55 5.97 3.38 -1.29 -3.47 115.31 110.35 2vak h LEU 38 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 2vak h LEU 38 Cb 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2vak h LEU 38 CO 0.00 0.28 0.34 -0.76 0.09 0.00 0.00 178.44 178.39 2vak s LEU 39 N -6.16 4.48 1.14 1.67 1.43 -1.00 -4.93 118.68 115.30 2vak s LEU 39 Ca 0.04 1.75 -0.15 0.00 -1.03 0.00 0.00 54.13 54.73 2vak s LEU 39 Cb 0.07 -3.55 0.21 0.00 0.03 0.00 0.00 46.19 42.95 2vak s LEU 39 CO 0.73 -0.07 0.63 -1.54 0.23 0.00 0.00 176.35 176.33 2vak n SER 40 N 2.89 -1.91 -0.21 2.29 3.41 -1.20 -4.70 113.62 114.19 2vak n SER 40 Ca 0.02 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2vak n SER 40 Cb 0.49 -1.16 0.08 0.00 -0.26 0.00 0.00 64.21 63.36 2vak n SER 40 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2vak h SER 41 N -2.40 -0.50 -0.48 4.04 0.02 -1.96 0.63 113.55 112.90 2vak h SER 41 Ca -0.57 0.18 -0.26 0.00 -0.84 0.00 0.00 61.79 60.30 2vak h SER 41 Cb 1.34 0.36 -0.15 0.00 0.14 0.00 0.00 62.40 64.09 2vak h SER 41 CO 0.44 -0.19 0.33 -1.54 -1.14 0.00 0.00 176.83 174.73 2vak n SER 42 N -5.39 3.60 -4.50 3.07 3.41 -1.26 -4.94 113.62 107.61 2vak n SER 42 Ca 0.08 -2.80 -0.42 0.00 -0.26 0.00 0.00 58.87 55.47 2vak n SER 42 Cb 0.34 -0.69 -0.07 0.00 -0.26 0.00 0.00 64.21 63.52 2vak n SER 42 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2vak n ASN 43 N -0.25 -1.89 -4.70 4.04 0.23 0.22 -4.84 115.26 108.07 2vak n ASN 43 Ca 0.29 -1.22 -0.38 0.00 -0.53 0.00 0.00 54.58 52.74 2vak n ASN 43 Cb 1.03 -1.74 -0.06 0.00 -2.08 0.00 0.00 39.78 36.93 2vak n ASN 43 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2vak s SER 44 N -3.30 6.60 0.04 0.53 0.15 -1.26 -0.44 113.70 116.02 2vak s SER 44 Ca 0.79 0.72 0.21 0.00 0.70 0.00 0.00 55.95 58.38 2vak s SER 44 Cb -0.46 -2.28 0.89 0.00 -1.71 0.00 0.00 66.02 62.47 2vak s SER 44 CO 1.02 -0.07 1.68 -0.81 1.20 0.00 0.00 173.24 176.26 2vak n PRO 45 N 4.15 0.03 0.05 5.44 -0.04 -1.26 -3.20 135.00 140.17 2vak n PRO 45 Ca -0.07 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 2vak n PRO 45 Cb 0.51 -1.55 0.16 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.62 0.50 0.00 0.54 7.02 -1.26 -5.02 117.44 117.61 2vak n TRP 46 Ca 0.05 0.15 0.00 0.00 -1.02 0.00 0.00 57.50 56.67 2vak n TRP 46 Cb 0.26 -0.62 0.00 0.00 -2.42 0.00 0.00 31.31 28.53 2vak n TRP 46 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 2vak n GLN 47 N -2.07 0.00 -3.56 -0.99 6.02 -1.24 -5.08 117.38 110.46 2vak n GLN 47 Ca 0.03 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.65 2vak n GLN 47 Cb 0.44 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.63 2vak n GLN 47 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2vak s ILE 61 N 0.00 5.25 -0.56 5.09 -1.09 -1.26 -5.13 121.20 123.50 2vak s ILE 61 Ca 0.00 0.60 -0.05 0.00 -2.23 0.00 0.00 60.65 58.97 2vak s ILE 61 Cb 0.00 -3.63 -0.10 0.00 -1.58 0.00 0.00 42.46 37.15 2vak s ILE 61 CO 0.00 0.47 2.23 1.33 -1.23 0.00 0.00 174.94 177.75 2vak n VAL 62 N 2.86 2.22 -1.66 2.92 0.24 -1.26 -4.86 118.33 118.79 2vak n VAL 62 Ca -0.13 -1.25 -0.30 0.00 -2.04 0.00 0.00 64.34 60.62 2vak n VAL 62 Cb 0.52 -2.01 0.19 0.00 -1.47 0.00 0.00 33.84 31.07 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 2.95 2.70 -0.04 -1.34 0.01 -1.26 -5.10 113.70 111.63 2vak s SER 63 Ca 0.40 0.48 -0.17 0.00 1.31 0.00 0.00 55.95 57.98 2vak s SER 63 Cb 0.14 -0.67 0.03 0.00 0.21 0.00 0.00 66.02 65.73 2vak s SER 63 CO -0.02 -3.01 0.37 -0.89 0.41 0.00 0.00 173.24 170.10 2vak s THR 64 N -3.57 0.04 0.55 1.44 2.01 -0.87 -4.98 115.64 110.25 2vak s THR 64 Ca 0.71 -0.34 0.22 0.00 0.31 0.00 0.00 61.69 62.59 2vak s THR 64 Cb -0.07 -0.65 0.31 0.00 0.01 0.00 0.00 72.50 72.09 2vak s THR 64 CO 0.53 -0.19 2.18 -0.65 -0.69 0.00 0.00 174.62 175.81 2vak h PRO 65 N 4.00 0.00 0.00 4.92 0.11 -1.99 -0.49 132.00 138.55 2vak h PRO 65 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2vak h PRO 65 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2vak h PRO 65 CO 0.38 0.00 -0.78 1.05 -0.21 0.00 0.00 178.00 178.44 2vak h GLU 66 N 0.00 0.00 -2.29 1.05 9.09 -1.99 -3.38 114.58 117.06 2vak h GLU 66 Ca 0.01 0.00 -0.59 0.00 0.05 0.00 0.00 59.36 58.84 2vak h GLU 66 Cb 0.06 0.00 -0.40 0.00 -1.65 0.00 0.00 28.75 26.76 2vak h GLU 66 CO -0.00 0.00 -0.85 0.00 0.05 0.00 0.00 179.01 178.21 2vak n ALA 67 N -2.10 3.15 0.30 1.06 0.00 -0.67 -4.73 120.51 117.53 2vak n ALA 67 Ca 0.01 -3.93 0.19 0.00 0.00 0.00 0.00 53.44 49.72 2vak n ALA 67 Cb 0.52 -0.86 0.89 0.00 0.00 0.00 0.00 19.45 20.01 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 4.57 0.00 -5.30 0.00 0.13 -1.32 -2.32 132.00 127.76 2vak h PRO 68 Ca 0.16 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.90 2vak h PRO 68 Cb 0.80 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.79 2vak h PRO 68 CO 0.60 0.01 -0.71 0.71 -0.23 0.00 0.00 178.00 178.37 2vak s TYR 69 N -3.87 1.51 0.23 1.56 1.51 -1.26 -4.57 117.35 112.45 2vak s TYR 69 Ca -0.01 -0.69 -0.07 0.00 -1.01 0.00 0.00 57.07 55.29 2vak s TYR 69 Cb 0.11 -0.76 0.38 0.00 -0.11 0.00 0.00 41.96 41.58 2vak s TYR 69 CO 0.49 0.20 1.72 -1.35 -1.11 0.00 0.00 175.55 175.50 2vak h PRO 70 N 2.63 0.37 0.00 -1.71 0.11 -1.84 -2.29 132.00 129.27 2vak h PRO 70 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2vak h PRO 70 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2vak h PRO 70 CO 0.63 0.25 0.00 0.41 -0.21 0.00 0.00 178.00 179.08 2vak n GLY 71 N -1.32 -0.98 0.08 -0.55 0.00 0.00 -3.38 105.19 99.04 2vak n GLY 71 Ca 0.12 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 0.11 -0.36 1.61 0.02 -1.63 -3.15 113.55 110.16 2vak h SER 72 Ca 0.00 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2vak h SER 72 Cb 0.20 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 2vak h SER 72 CO 0.00 0.31 0.21 -0.07 -1.14 0.00 0.00 176.83 176.14 2vak h LEU 73 N -0.08 0.43 -0.56 5.07 3.38 -1.68 -1.36 115.31 120.51 2vak h LEU 73 Ca 0.02 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.03 2vak h LEU 73 Cb 0.24 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 40.77 2vak h LEU 73 CO -0.00 0.37 -0.36 0.24 0.09 0.00 0.00 178.44 178.78 2vak h MET 74 N 0.46 -0.18 -0.10 1.13 2.86 -1.71 0.16 114.93 117.54 2vak h MET 74 Ca 0.13 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2vak h MET 74 Cb 0.02 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 2vak h MET 74 CO -0.02 -0.12 0.02 -0.92 1.06 0.00 0.00 176.91 176.93 2vak h TYR 75 N -0.19 0.18 -0.14 -0.22 3.20 -1.44 -2.36 116.97 116.00 2vak h TYR 75 Ca 0.21 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.99 2vak h TYR 75 Cb 0.55 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 2vak h TYR 75 CO -0.64 0.35 -0.22 1.96 -1.64 0.00 0.00 178.16 177.97 2vak h GLN 76 N -0.04 0.24 -0.33 1.82 4.20 -1.09 -2.14 115.11 117.77 2vak h GLN 76 Ca 0.03 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.55 2vak h GLN 76 Cb 0.26 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2vak h GLN 76 CO 0.00 0.46 -0.28 0.93 -0.67 0.00 0.00 178.83 179.27 2vak h GLU 77 N 0.22 0.68 -0.78 1.46 5.08 -0.93 -0.96 114.58 119.36 2vak h GLU 77 Ca 0.04 -0.30 0.13 0.00 -1.00 0.00 0.00 59.36 58.23 2vak h GLU 77 Cb 0.53 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 2vak h GLU 77 CO 0.04 0.89 0.51 0.66 -1.00 0.00 0.00 179.01 180.11 2vak h SER 78 N 0.59 0.52 0.32 1.42 4.64 -0.84 -0.30 113.55 119.90 2vak h SER 78 Ca 0.07 0.02 -0.30 0.00 -0.47 0.00 0.00 61.79 61.12 2vak h SER 78 Cb 0.78 -0.08 0.02 0.00 -0.31 0.00 0.00 62.40 62.81 2vak h SER 78 CO 0.06 0.29 -1.28 0.24 -0.87 0.00 0.00 176.83 175.27 2vak h MET 79 N 0.56 0.49 0.16 4.77 2.86 -0.96 -2.35 114.93 120.46 2vak h MET 79 Ca 0.38 -0.72 0.01 0.00 -2.06 0.00 0.00 59.70 57.30 2vak h MET 79 Cb 0.68 0.25 -0.04 0.00 0.06 0.00 0.00 31.60 32.55 2vak h MET 79 CO -0.14 1.33 -0.52 1.25 1.06 0.00 0.00 176.91 179.89 2vak h LEU 80 N 0.18 -1.55 -0.76 1.22 5.85 -0.35 -0.56 115.31 119.34 2vak h LEU 80 Ca -0.18 0.16 0.16 0.00 0.84 0.00 0.00 57.88 58.86 2vak h LEU 80 Cb 1.97 0.57 -0.11 0.00 0.37 0.00 0.00 40.66 43.46 2vak h LEU 80 CO 0.23 -0.56 0.24 0.45 -0.34 0.00 0.00 178.44 178.46 2vak h HIS 81 N -0.77 0.40 0.00 1.25 3.86 -1.14 -0.13 115.15 118.61 2vak h HIS 81 Ca -0.01 0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 2vak h HIS 81 Cb 0.76 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 2vak h HIS 81 CO -0.43 -0.03 -0.34 0.77 0.86 0.00 0.00 177.93 178.75 2vak h SER 82 N 0.34 0.00 0.11 2.45 0.02 -1.13 -1.01 113.55 114.32 2vak h SER 82 Ca 0.43 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 61.13 2vak h SER 82 Cb 0.73 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.29 2vak h SER 82 CO -0.48 0.34 -1.04 0.00 -1.14 0.00 0.00 176.83 174.51 2vak h ALA 83 N 1.66 -0.02 0.00 3.77 0.00 -0.07 -3.41 119.26 121.19 2vak h ALA 83 Ca -0.00 -0.72 -0.37 0.00 0.00 0.00 0.00 54.91 53.81 2vak h ALA 83 Cb 0.65 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 2vak h ALA 83 CO 0.04 0.55 -2.39 0.25 0.00 0.00 0.00 179.25 177.70 2vak n THR 84 N -3.94 1.42 -0.09 0.00 -2.24 -0.16 -4.67 114.28 104.59 2vak n THR 84 Ca -0.13 -0.78 -0.18 0.00 -2.27 0.00 0.00 64.05 60.68 2vak n THR 84 Cb 0.90 -0.73 -0.11 0.00 -2.10 0.00 0.00 70.33 68.29 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 1.12 0.00 2.28 2.07 -1.41 -3.39 116.25 116.91 2vak h VAL 85 Ca -0.55 -2.15 -0.02 0.00 0.82 0.00 0.00 66.70 64.80 2vak h VAL 85 Cb 2.15 2.42 -0.00 0.00 -1.52 0.00 0.00 31.29 34.34 2vak h VAL 85 CO 0.00 0.38 -0.08 -0.65 0.02 0.00 0.00 177.57 177.24 2vak h PRO 86 N -1.00 0.00 -0.00 1.57 0.11 -1.80 -2.91 132.00 127.97 2vak h PRO 86 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2vak h PRO 86 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2vak h PRO 86 CO -0.13 0.08 -0.05 0.41 -0.21 0.00 0.00 178.00 178.10 2vak n GLY 87 N -0.93 -1.41 0.29 -0.55 0.00 -1.26 -3.55 105.19 97.78 2vak n GLY 87 Ca -0.02 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 45.91 2vak n GLY 87 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2vak n VAL 88 N -1.44 0.00 0.70 1.61 3.14 -1.10 -4.60 118.33 116.64 2vak n VAL 88 Ca 0.09 -0.43 0.11 0.00 -2.96 0.00 0.00 64.34 61.15 2vak n VAL 88 Cb 0.32 1.15 0.47 0.00 -1.06 0.00 0.00 33.84 34.72 2vak n VAL 88 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2vak n LEU 89 N 0.01 0.24 0.00 6.55 4.77 -1.23 -4.02 117.00 123.32 2vak n LEU 89 Ca 0.05 0.54 0.07 0.00 -0.03 0.00 0.00 56.01 56.63 2vak n LEU 89 Cb 0.23 -0.48 0.36 0.00 -2.33 0.00 0.00 43.42 41.20 2vak n LEU 89 CO 0.11 -0.18 0.66 0.61 -1.33 0.00 0.00 177.39 177.25 2vak n GLY 90 N 0.82 -0.63 0.00 -0.72 0.00 -1.26 -4.24 105.19 99.16 2vak n GLY 90 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2vak n GLY 90 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2vak n SER 91 N -1.19 0.00 -0.30 1.61 2.88 -1.26 -5.02 113.62 110.34 2vak n SER 91 Ca 0.08 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.76 2vak n SER 91 Cb 0.09 0.00 0.58 0.00 -0.75 0.00 0.00 64.21 64.13 2vak n SER 91 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2vak n ARG 92 N -0.29 1.25 -0.12 -1.46 1.85 -1.26 -3.68 116.66 112.94 2vak n ARG 92 Ca 0.00 -0.60 0.06 0.00 -1.00 0.00 0.00 57.85 56.31 2vak n ARG 92 Cb 0.00 -1.49 0.12 0.00 -1.05 0.00 0.00 32.46 30.04 2vak n ARG 92 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2vak n ASP 93 N -0.35 2.60 0.19 2.89 8.00 -1.26 -4.70 116.55 123.92 2vak n ASP 93 Ca 0.18 -1.81 0.04 0.00 0.71 0.00 0.00 54.79 53.91 2vak n ASP 93 Cb 0.30 -0.15 0.38 0.00 -0.02 0.00 0.00 41.12 41.63 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 2.17 1.25 -0.79 2.24 0.00 -1.83 -2.98 119.26 119.33 2vak h ALA 94 Ca 0.00 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.64 2vak h ALA 94 Cb 0.65 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 2vak h ALA 94 CO 0.00 0.46 0.52 0.11 0.00 0.00 0.00 179.25 180.34 2vak h TRP 95 N 0.00 0.87 -0.27 0.00 5.08 -1.84 -2.35 115.95 117.44 2vak h TRP 95 Ca -0.00 0.02 0.03 0.00 1.08 0.00 0.00 58.89 60.02 2vak h TRP 95 Cb 0.71 -0.29 -0.04 0.00 -3.00 0.00 0.00 29.16 26.55 2vak h TRP 95 CO 0.00 0.46 -0.24 0.00 -1.28 0.00 0.00 178.44 177.38 2vak h ARG 96 N 0.86 -0.10 -0.01 0.12 3.08 -1.87 -3.07 114.38 113.40 2vak h ARG 96 Ca 0.34 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.40 2vak h ARG 96 Cb 0.23 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2vak h ARG 96 CO -0.12 -0.06 -0.60 0.25 -1.07 0.00 0.00 179.97 178.37 2vak n THR 97 N -3.87 0.00 -1.68 2.04 -2.24 -1.24 -4.95 114.28 102.34 2vak n THR 97 Ca -0.01 -0.17 -0.45 0.00 -2.27 0.00 0.00 64.05 61.16 2vak n THR 97 Cb 0.13 1.08 -0.04 0.00 -2.10 0.00 0.00 70.33 69.40 2vak n THR 97 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2vak n PHE 98 N -0.53 2.44 -3.97 4.78 7.35 -0.89 -4.41 117.46 122.23 2vak n PHE 98 Ca 0.08 0.01 -0.09 0.00 -0.76 0.00 0.00 57.45 56.69 2vak n PHE 98 Cb 0.42 -2.66 -0.10 0.00 0.35 0.00 0.00 39.48 37.48 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 2.55 0.24 -0.24 -2.13 2.20 -1.26 -4.40 114.94 111.90 2vak s ASN 99 Ca 0.84 -0.54 -0.12 0.00 -0.94 0.00 0.00 52.86 52.10 2vak s ASN 99 Cb -0.60 0.15 0.08 0.00 -2.00 0.00 0.00 41.25 38.88 2vak s ASN 99 CO 0.41 -0.38 0.57 0.54 -2.94 0.00 0.00 177.10 175.31 2vak s VAL 100 N -1.96 -0.25 -1.58 3.54 0.11 -0.89 0.14 120.40 119.51 2vak s VAL 100 Ca -0.11 0.05 -0.12 0.00 -2.93 0.00 0.00 61.98 58.86 2vak s VAL 100 Cb -0.06 -0.85 0.10 0.00 -1.53 0.00 0.00 36.38 34.04 2vak s VAL 100 CO -0.02 0.02 0.76 0.49 -3.33 0.00 0.00 175.10 173.01 2vak n PHE 101 N 4.62 -1.89 -2.96 1.54 3.72 -1.26 -1.65 117.46 119.59 2vak n PHE 101 Ca -0.18 0.82 -0.22 0.00 -0.05 0.00 0.00 57.45 57.82 2vak n PHE 101 Cb 0.55 -3.47 0.02 0.00 -0.94 0.00 0.00 39.48 35.64 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 -1.62 -0.52 3.18 1.37 0.00 -1.26 -4.27 105.19 102.08 2vak n GLY 102 Ca -0.04 0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 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 -6.54 2.32 0.06 0.99 1.43 -0.66 -1.65 118.68 114.62 2vak s LEU 103 Ca 0.26 -0.68 -0.07 0.00 -1.03 0.00 0.00 54.13 52.62 2vak s LEU 103 Cb -0.12 -0.49 -0.01 0.00 0.03 0.00 0.00 46.19 45.60 2vak s LEU 103 CO 0.33 -0.12 0.13 -0.44 0.23 0.00 0.00 176.35 176.48 2vak s SER 104 N -1.96 0.17 0.30 2.29 0.01 -0.17 -2.09 113.70 112.25 2vak s SER 104 Ca 0.01 -0.60 -0.20 0.00 1.31 0.00 0.00 55.95 56.47 2vak s SER 104 Cb -0.08 0.27 -0.09 0.00 0.21 0.00 0.00 66.02 66.33 2vak s SER 104 CO 0.02 -0.60 0.81 0.26 0.41 0.00 0.00 173.24 174.15 2vak s TRP 105 N -3.17 3.53 -0.06 2.43 0.52 -1.26 -1.35 118.94 119.58 2vak s TRP 105 Ca -0.00 1.47 -0.25 0.00 0.02 0.00 0.00 56.10 57.34 2vak s TRP 105 Cb 0.02 -2.70 -0.24 0.00 -1.15 0.00 0.00 33.47 29.40 2vak s TRP 105 CO -0.07 0.17 0.99 1.79 0.02 0.00 0.00 176.95 179.85 2vak h THR 106 N 2.37 1.57 -3.63 2.01 1.35 -1.52 -3.47 112.91 111.60 2vak h THR 106 Ca -0.48 -2.00 -0.36 0.00 -0.55 0.00 0.00 66.41 63.02 2vak h THR 106 Cb 1.19 2.86 -0.14 0.00 -1.73 0.00 0.00 68.15 70.32 2vak h THR 106 CO 0.64 0.54 -0.62 1.51 -0.25 0.00 0.00 175.52 177.35 2vak s ASP 107 N -6.30 1.38 0.35 5.36 1.47 -1.26 -5.01 116.67 112.65 2vak s ASP 107 Ca -0.16 -1.35 0.10 0.00 1.18 0.00 0.00 52.55 52.32 2vak s ASP 107 Cb 0.00 0.12 0.86 0.00 -0.34 0.00 0.00 42.92 43.56 2vak s ASP 107 CO 0.74 -0.68 1.81 -0.08 0.68 0.00 0.00 175.17 177.63 2vak h GLU 108 N 2.39 0.63 0.00 2.11 4.81 -1.92 -0.11 114.58 122.49 2vak h GLU 108 Ca -0.38 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2vak h GLU 108 Cb 1.24 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2vak h GLU 108 CO 0.62 0.42 0.00 0.41 -0.73 0.00 0.00 179.01 179.73 2vak n GLY 109 N -1.40 -0.40 3.74 1.92 0.00 -1.26 -4.88 105.19 102.92 2vak n GLY 109 Ca 0.21 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.60 -2.33 -0.04 0.99 4.77 -0.05 -4.92 117.00 114.81 2vak n LEU 110 Ca 0.02 -0.95 0.01 0.00 -0.03 0.00 0.00 56.01 55.07 2vak n LEU 110 Cb 0.01 -2.02 -0.14 0.00 -2.33 0.00 0.00 43.42 38.95 2vak n LEU 110 CO 0.01 0.32 -0.86 -0.24 -1.33 0.00 0.00 177.39 175.29 2vak n SER 111 N -2.42 0.85 -3.67 -1.43 2.88 -1.26 -4.96 113.62 103.61 2vak n SER 111 Ca -0.18 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.22 2vak n SER 111 Cb 0.61 1.43 -0.07 0.00 -0.75 0.00 0.00 64.21 65.43 2vak n SER 111 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2vak s GLY 112 N -4.52 -0.29 -0.13 0.46 0.00 -1.26 -4.50 107.32 97.07 2vak s GLY 112 Ca -0.07 0.54 -0.03 0.00 0.00 0.00 0.00 44.72 45.15 2vak s GLY 112 CO 0.73 0.28 -0.04 1.08 0.00 0.00 0.00 173.10 175.15 2vak s LEU 113 N -1.57 3.29 0.39 0.66 1.43 0.42 -1.17 118.68 122.13 2vak s LEU 113 Ca -0.10 -0.08 0.05 0.00 -1.03 0.00 0.00 54.13 52.98 2vak s LEU 113 Cb -0.02 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 2vak s LEU 113 CO 0.03 0.22 0.19 0.68 0.23 0.00 0.00 176.35 177.70 2vak s VAL 114 N 0.03 0.35 0.35 -1.59 -7.23 -0.46 -4.75 120.40 107.11 2vak s VAL 114 Ca 0.00 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 57.89 2vak s VAL 114 Cb -0.13 -2.37 -0.11 0.00 0.56 0.00 0.00 36.38 34.33 2vak s VAL 114 CO 0.03 0.00 1.38 0.00 -0.31 0.00 0.00 175.10 176.19 2vak s ALA 115 N -3.28 3.53 0.38 1.32 0.00 -1.26 -1.00 121.76 121.44 2vak s ALA 115 Ca 0.29 1.38 -0.24 0.00 0.00 0.00 0.00 51.96 53.39 2vak s ALA 115 Cb 0.02 -3.53 -0.10 0.00 0.00 0.00 0.00 23.12 19.51 2vak s ALA 115 CO 0.19 -0.80 0.97 0.00 0.00 0.00 0.00 175.76 176.12 2vak s ALA 116 N -1.12 3.12 0.17 0.00 0.00 -0.66 -4.50 121.76 118.77 2vak s ALA 116 Ca 0.50 0.54 -0.33 0.00 0.00 0.00 0.00 51.96 52.67 2vak s ALA 116 Cb -0.42 -3.20 -0.13 0.00 0.00 0.00 0.00 23.12 19.36 2vak s ALA 116 CO 0.57 0.05 1.61 0.94 0.00 0.00 0.00 175.76 178.93 2vak n GLN 117 N 0.04 2.29 -4.51 0.00 7.27 -1.26 -4.89 117.38 116.31 2vak n GLN 117 Ca 0.04 0.83 -0.23 0.00 0.07 0.00 0.00 57.00 57.71 2vak n GLN 117 Cb 0.51 -2.61 -0.16 0.00 2.41 0.00 0.00 30.24 30.39 2vak n GLN 117 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2vak s ASP 118 N 1.03 1.57 0.74 1.69 3.68 -1.26 -2.45 116.67 121.66 2vak s ASP 118 Ca 0.78 -0.26 -0.16 0.00 2.13 0.00 0.00 52.55 55.05 2vak s ASP 118 Cb -0.64 -0.65 -0.01 0.00 -1.45 0.00 0.00 42.92 40.17 2vak s ASP 118 CO 0.37 0.04 0.77 -0.81 0.13 0.00 0.00 175.17 175.67 2vak n PRO 119 N 3.69 0.36 -2.55 4.34 -0.04 -1.26 -5.08 135.00 134.46 2vak n PRO 119 Ca -0.22 0.17 -0.41 0.00 -0.04 0.00 0.00 63.50 63.00 2vak n PRO 119 Cb 0.52 -2.05 -0.04 0.00 -0.04 0.00 0.00 33.50 31.89 2vak n PRO 119 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2vak s PRO 120 N -3.15 4.55 0.14 0.54 0.04 -1.02 -4.98 135.00 131.12 2vak s PRO 120 Ca 0.69 1.65 -0.29 0.00 0.04 0.00 0.00 61.00 63.09 2vak s PRO 120 Cb -0.34 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 2vak s PRO 120 CO 0.54 -0.03 1.57 -1.35 0.04 0.00 0.00 177.00 177.77 2vak h PRO 121 N 5.99 -0.41 -6.13 0.56 0.11 -1.91 -3.43 132.00 126.78 2vak h PRO 121 Ca -0.43 0.03 -0.59 0.00 0.11 0.00 0.00 66.00 65.12 2vak h PRO 121 Cb 1.21 0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.38 2vak h PRO 121 CO 0.75 -0.28 -0.25 0.00 -0.21 0.00 0.00 178.00 178.02 2vak s ALA 122 N -5.84 3.73 0.21 -0.75 0.00 -1.26 -5.04 121.76 112.80 2vak s ALA 122 Ca -0.15 -0.41 -0.31 0.00 0.00 0.00 0.00 51.96 51.09 2vak s ALA 122 Cb 0.10 -2.25 -0.15 0.00 0.00 0.00 0.00 23.12 20.82 2vak s ALA 122 CO 0.64 0.58 1.08 0.00 0.00 0.00 0.00 175.76 178.07 2vak n ALA 123 N 0.71 -0.72 -1.78 0.00 0.00 -1.26 -4.83 120.51 112.63 2vak n ALA 123 Ca -0.07 0.44 -0.41 0.00 0.00 0.00 0.00 53.44 53.41 2vak n ALA 123 Cb 0.52 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.97 2vak n ALA 123 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2vak s PRO 124 N -0.77 4.02 0.35 0.00 0.02 -1.26 -4.69 135.00 132.66 2vak s PRO 124 Ca 0.68 2.55 -0.28 0.00 0.02 0.00 0.00 61.00 63.97 2vak s PRO 124 Cb -0.81 -2.90 -0.10 0.00 0.02 0.00 0.00 34.50 30.71 2vak s PRO 124 CO 0.55 -0.60 1.34 -0.47 -0.33 0.00 0.00 177.00 177.49 2vak s TYR 125 N -1.14 2.92 -0.39 6.54 5.04 0.12 -5.00 117.35 125.45 2vak s TYR 125 Ca 0.54 1.37 -0.09 0.00 -2.44 0.00 0.00 57.07 56.45 2vak s TYR 125 Cb -0.46 -3.74 0.05 0.00 0.35 0.00 0.00 41.96 38.16 2vak s TYR 125 CO 0.62 -2.11 0.21 -0.65 -1.34 0.00 0.00 175.55 172.28 2vak s GLN 126 N -1.93 2.69 0.77 4.97 -1.52 -1.26 -4.78 119.66 118.61 2vak s GLN 126 Ca 0.51 -1.26 -0.14 0.00 -1.95 0.00 0.00 55.36 52.52 2vak s GLN 126 Cb -0.41 -3.70 0.06 0.00 -0.22 0.00 0.00 33.01 28.74 2vak s GLN 126 CO 0.54 -0.80 1.23 -2.14 -0.25 0.00 0.00 175.29 173.87 2vak s PRO 127 N 1.47 1.82 0.03 2.91 0.02 -1.26 -5.01 135.00 134.97 2vak s PRO 127 Ca 0.02 1.84 0.04 0.00 0.02 0.00 0.00 61.00 62.91 2vak s PRO 127 Cb -0.21 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 2vak s PRO 127 CO 0.04 -2.10 -0.06 0.00 -0.33 0.00 0.00 177.00 174.55 2vak s ALA 128 N -1.97 3.05 -0.20 -1.55 0.00 -1.26 -4.90 121.76 114.94 2vak s ALA 128 Ca 0.75 -1.06 -0.19 0.00 0.00 0.00 0.00 51.96 51.47 2vak s ALA 128 Cb -0.31 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 2vak s ALA 128 CO 0.48 0.63 0.56 0.45 0.00 0.00 0.00 175.76 177.88 2vak s SER 129 N -1.62 6.60 -1.20 0.00 0.15 -1.26 -4.52 113.70 111.85 2vak s SER 129 Ca 0.19 0.73 -0.03 0.00 0.70 0.00 0.00 55.95 57.54 2vak s SER 129 Cb -0.11 -2.31 -0.01 0.00 -1.71 0.00 0.00 66.02 61.87 2vak s SER 129 CO 0.10 -0.22 0.88 0.00 1.20 0.00 0.00 173.24 175.19 2vak n ALA 130 N 4.92 -2.14 -2.53 5.45 0.00 -0.94 -4.90 120.51 120.37 2vak n ALA 130 Ca -0.03 -0.07 -0.24 0.00 0.00 0.00 0.00 53.44 53.10 2vak n ALA 130 Cb 0.50 -3.02 -0.14 0.00 0.00 0.00 0.00 19.45 16.80 2vak n ALA 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2vak s GLN 131 N -5.41 1.25 0.08 0.00 2.00 -1.25 -4.84 119.66 111.48 2vak s GLN 131 Ca 0.12 -0.94 -0.08 0.00 -2.00 0.00 0.00 55.36 52.45 2vak s GLN 131 Cb -0.02 -1.37 -0.06 0.00 0.80 0.00 0.00 33.01 32.37 2vak s GLN 131 CO 0.77 0.34 0.38 -1.58 -0.50 0.00 0.00 175.29 174.69 2vak s TRP 132 N -0.88 3.56 -0.01 1.67 0.52 -1.26 -0.84 118.94 121.70 2vak s TRP 132 Ca 0.06 0.71 0.02 0.00 0.02 0.00 0.00 56.10 56.91 2vak s TRP 132 Cb -0.09 -2.10 0.00 0.00 -1.15 0.00 0.00 33.47 30.13 2vak s TRP 132 CO 0.02 0.51 -0.06 -1.12 0.02 0.00 0.00 176.95 176.33 2vak s SER 133 N -1.89 0.77 -0.30 2.95 0.01 -0.06 -4.97 113.70 110.20 2vak s SER 133 Ca 0.34 -0.11 -0.23 0.00 1.31 0.00 0.00 55.95 57.26 2vak s SER 133 Cb -0.13 -0.17 -0.00 0.00 0.21 0.00 0.00 66.02 65.92 2vak s SER 133 CO 0.19 0.04 0.75 -0.62 0.41 0.00 0.00 173.24 174.02 2vak s ASP 134 N 0.13 6.63 0.34 2.44 2.15 -1.26 -0.62 116.67 126.48 2vak s ASP 134 Ca -0.01 0.63 0.26 0.00 0.43 0.00 0.00 52.55 53.86 2vak s ASP 134 Cb -0.06 -2.39 0.90 0.00 -0.30 0.00 0.00 42.92 41.07 2vak s ASP 134 CO -0.00 -0.58 1.77 -0.07 -0.17 0.00 0.00 175.17 176.12 2vak h LEU 135 N 9.37 0.00 0.00 -1.34 3.38 -0.97 -2.87 115.31 122.89 2vak h LEU 135 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 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 0.86 0.00 -0.19 0.18 0.09 0.00 0.00 178.44 179.38 2vak n LEU 136 N -2.59 0.24 0.06 1.67 4.77 -1.26 -2.31 117.00 117.57 2vak n LEU 136 Ca 0.03 0.33 0.20 0.00 -0.03 0.00 0.00 56.01 56.54 2vak n LEU 136 Cb 0.36 -0.40 0.74 0.00 -2.33 0.00 0.00 43.42 41.80 2vak n LEU 136 CO 0.27 0.03 1.18 0.78 -1.33 0.00 0.00 177.39 178.32 2vak h ASN 137 N 0.00 0.00 -2.84 -1.43 2.35 -1.85 -3.37 115.58 108.44 2vak h ASN 137 Ca 0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.20 2vak h ASN 137 Cb 0.52 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.84 2vak h ASN 137 CO 0.00 0.00 1.14 -0.47 -1.65 0.00 0.00 177.43 176.45 2vak s TYR 138 N -4.77 2.19 0.29 1.19 5.04 -0.98 -4.85 117.35 115.47 2vak s TYR 138 Ca -0.05 0.58 0.03 0.00 -2.44 0.00 0.00 57.07 55.19 2vak s TYR 138 Cb 0.17 -4.31 0.74 0.00 0.35 0.00 0.00 41.96 38.92 2vak s TYR 138 CO 0.62 -2.13 1.64 -1.35 -1.34 0.00 0.00 175.55 172.99 2vak h PRO 139 N 11.60 0.17 -0.08 4.97 0.11 -1.85 0.35 132.00 147.28 2vak h PRO 139 Ca -0.28 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.75 2vak h PRO 139 Cb 1.11 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2vak h PRO 139 CO 1.14 0.12 -0.26 -0.09 -0.21 0.00 0.00 178.00 178.69 2vak h ARG 140 N 0.18 0.14 0.08 1.05 2.43 -1.94 -1.52 114.38 114.80 2vak h ARG 140 Ca 0.57 -0.04 -0.27 0.00 -0.81 0.00 0.00 59.98 59.43 2vak h ARG 140 Cb 1.18 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 2vak h ARG 140 CO -0.69 0.40 -1.31 -1.49 -1.51 0.00 0.00 179.97 175.38 2vak h TRP 141 N 0.13 0.30 -0.78 2.20 6.55 -0.69 0.18 115.95 123.84 2vak h TRP 141 Ca 0.02 -0.22 0.01 0.00 0.95 0.00 0.00 58.89 59.65 2vak h TRP 141 Cb 0.54 -0.01 -0.04 0.00 -0.86 0.00 0.00 29.16 28.78 2vak h TRP 141 CO 0.01 1.21 0.52 0.00 -1.05 0.00 0.00 178.44 179.12 2vak h ALA 142 N 0.70 0.99 0.00 1.49 0.00 -0.49 -3.24 119.26 118.72 2vak h ALA 142 Ca -0.15 -0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.43 2vak h ALA 142 Cb 1.93 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.36 2vak h ALA 142 CO 0.16 0.40 -1.60 -0.91 0.00 0.00 0.00 179.25 177.30 2vak h ASN 143 N 1.05 0.01 -2.94 0.00 4.21 -1.30 -3.40 115.58 113.21 2vak h ASN 143 Ca 0.29 -0.02 -0.62 0.00 1.21 0.00 0.00 56.30 57.16 2vak h ASN 143 Cb -0.12 -0.00 -0.42 0.00 -1.12 0.00 0.00 38.32 36.66 2vak h ASN 143 CO -0.06 1.02 -0.59 0.54 -1.29 0.00 0.00 177.43 177.05 2vak n ARG 144 N -3.10 1.87 -0.05 0.81 1.74 0.64 -4.97 116.66 113.59 2vak n ARG 144 Ca -0.14 -4.47 -0.03 0.00 -0.77 0.00 0.00 57.85 52.44 2vak n ARG 144 Cb 1.03 -2.26 0.22 0.00 -1.02 0.00 0.00 32.46 30.43 2vak n ARG 144 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2vak h ARG 145 N 5.23 0.64 0.00 5.56 2.43 -1.78 -2.48 114.38 123.98 2vak h ARG 145 Ca 0.16 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2vak h ARG 145 Cb 0.75 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2vak h ARG 145 CO 0.72 0.69 0.00 0.07 -1.51 0.00 0.00 179.97 179.94 2vak h ARG 146 N 0.60 0.00 -0.11 0.20 0.11 -1.93 -0.86 114.38 112.38 2vak h ARG 146 Ca 0.12 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.08 2vak h ARG 146 Cb 0.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.53 2vak h ARG 146 CO 0.02 0.00 -0.37 0.93 0.10 0.00 0.00 179.97 180.65 2vak h GLU 147 N 0.00 0.45 0.07 0.08 5.08 -1.81 -1.45 114.58 117.01 2vak h GLU 147 Ca 0.00 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2vak h GLU 147 Cb 0.20 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2vak h GLU 147 CO 0.00 0.96 -0.04 1.25 -1.00 0.00 0.00 179.01 180.18 2vak h LEU 148 N 0.04 -0.09 -1.94 1.33 5.85 -1.53 -3.04 115.31 115.92 2vak h LEU 148 Ca -0.01 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.75 2vak h LEU 148 Cb 1.00 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 2vak h LEU 148 CO 0.08 -0.06 0.15 1.56 -0.34 0.00 0.00 178.44 179.82 2vak h GLN 149 N -0.10 0.07 -0.52 1.25 4.20 -1.20 0.25 115.11 119.07 2vak h GLN 149 Ca -0.01 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 2vak h GLN 149 Cb 0.08 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2vak h GLN 149 CO 0.02 0.05 0.22 1.03 -0.67 0.00 0.00 178.83 179.47 2vak h SER 150 N 0.07 0.71 0.92 1.46 0.87 -1.16 -3.27 113.55 113.15 2vak h SER 150 Ca 0.09 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2vak h SER 150 Cb 0.28 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2vak h SER 150 CO -0.01 0.67 -0.99 0.29 -0.53 0.00 0.00 176.83 176.27 2vak n LYS 151 N -4.55 0.55 -0.22 2.24 5.02 -0.17 -4.59 118.16 116.44 2vak n LYS 151 Ca 0.02 0.10 -0.08 0.00 -2.02 0.00 0.00 58.31 56.34 2vak n LYS 151 Cb 0.15 -1.79 0.05 0.00 -0.02 0.00 0.00 35.03 33.42 2vak n LYS 151 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 2vak h TYR 152 N 0.00 1.16 -0.65 2.13 3.20 -0.63 -2.50 116.97 119.68 2vak h TYR 152 Ca 0.00 -0.17 0.13 0.00 3.14 0.00 0.00 58.73 61.83 2vak h TYR 152 Cb 0.95 -0.31 -0.12 0.00 1.54 0.00 0.00 36.73 38.79 2vak h TYR 152 CO 0.00 0.98 -0.16 -1.35 -1.64 0.00 0.00 178.16 176.00 2vak h PRO 153 N 1.01 0.00 -0.22 1.82 0.11 -1.81 0.54 132.00 133.45 2vak h PRO 153 Ca 0.19 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.33 2vak h PRO 153 Cb 0.47 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.55 2vak h PRO 153 CO 0.02 0.00 0.04 -0.07 -0.21 0.00 0.00 178.00 177.78 2vak h LEU 154 N 0.00 -0.00 -0.88 2.35 3.38 -1.78 0.34 115.31 118.72 2vak h LEU 154 Ca 0.31 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.26 2vak h LEU 154 Cb 0.48 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 2vak h LEU 154 CO -0.67 0.03 0.13 -0.07 0.09 0.00 0.00 178.44 177.95 2vak h LEU 155 N 0.12 0.91 -0.35 1.67 3.38 -1.08 -2.72 115.31 117.24 2vak h LEU 155 Ca 0.10 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 2vak h LEU 155 Cb 0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2vak h LEU 155 CO -0.14 0.89 -0.32 0.25 0.09 0.00 0.00 178.44 179.21 2vak h LEU 156 N 0.91 0.88 -0.92 1.67 5.85 0.60 -1.66 115.31 122.65 2vak h LEU 156 Ca 0.19 -0.46 0.13 0.00 0.84 0.00 0.00 57.88 58.58 2vak h LEU 156 Cb 0.36 -0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.05 2vak h LEU 156 CO 0.00 1.16 0.54 -0.09 -0.34 0.00 0.00 178.44 179.72 2vak h ARG 157 N 0.62 0.81 -0.44 1.25 1.12 -0.25 0.54 114.38 118.03 2vak h ARG 157 Ca 0.06 -0.05 -0.08 0.00 -1.11 0.00 0.00 59.98 58.80 2vak h ARG 157 Cb 0.90 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 30.67 2vak h ARG 157 CO 0.08 0.54 -0.04 0.77 -3.11 0.00 0.00 179.97 178.20 2vak h SER 158 N 0.83 0.80 -0.10 -3.80 0.02 -1.35 -1.16 113.55 108.80 2vak h SER 158 Ca 0.47 -0.33 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 2vak h SER 158 Cb 0.54 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 2vak h SER 158 CO -0.29 0.94 -0.04 0.74 -1.14 0.00 0.00 176.83 177.04 2vak h THR 159 N 0.64 0.86 -0.24 -2.27 2.02 -0.32 -0.38 112.91 113.23 2vak h THR 159 Ca 0.12 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 2vak h THR 159 Cb 0.56 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2vak h THR 159 CO 0.03 0.00 0.11 -0.07 0.37 0.00 0.00 175.52 175.96 2vak h LEU 160 N -0.02 0.32 -1.24 2.58 3.38 0.07 -0.42 115.31 119.97 2vak h LEU 160 Ca 0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2vak h LEU 160 Cb 0.11 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2vak h LEU 160 CO -0.12 0.37 0.34 0.25 0.09 0.00 0.00 178.44 179.38 2vak h LEU 161 N 0.24 0.77 -0.22 1.67 5.85 -1.09 -1.19 115.31 121.34 2vak h LEU 161 Ca 0.08 -0.06 -0.21 0.00 0.84 0.00 0.00 57.88 58.53 2vak h LEU 161 Cb 0.15 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 2vak h LEU 161 CO -0.01 0.62 -0.91 0.28 -0.34 0.00 0.00 178.44 178.08 2vak h SER 162 N 0.87 0.43 0.02 1.25 0.02 -0.79 -3.28 113.55 112.08 2vak h SER 162 Ca 0.22 -0.34 -0.17 0.00 -0.84 0.00 0.00 61.79 60.66 2vak h SER 162 Cb 0.02 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 2vak h SER 162 CO -0.04 1.14 -0.59 0.00 -1.14 0.00 0.00 176.83 176.20 2vak h ALA 163 N 0.83 0.63 -2.96 3.77 0.00 -0.86 -3.45 119.26 117.23 2vak h ALA 163 Ca -0.06 -0.53 -0.54 0.00 0.00 0.00 0.00 54.91 53.77 2vak h ALA 163 Cb 1.54 -0.07 0.11 0.00 0.00 0.00 0.00 17.79 19.37 2vak h ALA 163 CO 0.15 0.70 0.71 -1.64 0.00 0.00 0.00 179.25 179.17 2vak s MET 164 N -3.94 3.80 0.11 0.00 1.00 -0.47 0.11 119.30 119.91 2vak s MET 164 Ca -0.08 2.42 0.02 0.00 0.00 0.00 0.00 55.69 58.06 2vak s MET 164 Cb 0.11 -2.73 -0.22 0.00 0.00 0.00 0.00 34.83 31.99 2vak s MET 164 CO 0.85 -0.73 1.24 -0.09 0.00 0.00 0.00 175.02 176.29 2vak h ARG 165 N 2.50 0.13 0.00 2.03 2.43 -1.87 -3.44 114.38 116.16 2vak h ARG 165 Ca -0.51 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.46 2vak h ARG 165 Cb 1.26 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 2vak h ARG 165 CO 0.62 1.08 0.00 0.00 -1.51 0.00 0.00 179.97 180.16 2vak n ALA 166 N -2.43 0.00 -1.91 2.80 0.00 -1.26 -4.98 120.51 112.73 2vak n ALA 166 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.12 2vak n ALA 166 Cb 0.96 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.49 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 1.61 0.64 0.00 0.00 -0.04 -5.02 107.32 104.51 2vak s GLY 167 Ca 0.00 -0.69 -0.17 0.00 0.00 0.00 0.00 44.72 43.86 2vak s GLY 167 CO 0.00 -0.23 1.15 2.56 0.00 0.00 0.00 173.10 176.58 2vak s PRO 168 N -5.49 2.81 0.16 2.90 0.04 -1.26 -4.13 135.00 130.03 2vak s PRO 168 Ca 0.61 1.59 -0.13 0.00 0.04 0.00 0.00 61.00 63.11 2vak s PRO 168 Cb -0.11 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 2vak s PRO 168 CO 0.48 -1.28 0.54 0.54 0.04 0.00 0.00 177.00 177.32 2vak s VAL 169 N -2.02 4.89 -0.10 -0.36 0.11 -1.26 -2.70 120.40 118.97 2vak s VAL 169 Ca 0.72 0.72 -0.02 0.00 -2.93 0.00 0.00 61.98 60.47 2vak s VAL 169 Cb -0.25 -3.70 -0.03 0.00 -1.53 0.00 0.00 36.38 30.87 2vak s VAL 169 CO 0.38 0.17 -0.01 -0.76 -3.33 0.00 0.00 175.10 171.55 2vak s LEU 170 N -2.16 3.48 -0.57 2.54 1.43 0.28 -4.64 118.68 119.04 2vak s LEU 170 Ca 0.40 0.08 -0.21 0.00 -1.03 0.00 0.00 54.13 53.36 2vak s LEU 170 Cb -0.14 -1.80 0.06 0.00 0.03 0.00 0.00 46.19 44.34 2vak s LEU 170 CO 0.19 0.34 0.82 -0.47 0.23 0.00 0.00 176.35 177.46 2vak s TYR 171 N -0.65 2.87 -0.31 0.29 5.04 -1.26 -1.64 117.35 121.69 2vak s TYR 171 Ca 0.10 -0.45 -0.06 0.00 -2.44 0.00 0.00 57.07 54.22 2vak s TYR 171 Cb -0.12 -3.96 0.02 0.00 0.35 0.00 0.00 41.96 38.26 2vak s TYR 171 CO 0.02 -1.32 0.08 0.08 -1.34 0.00 0.00 175.55 173.07 2vak s VAL 172 N 3.40 3.82 -0.13 3.14 1.01 0.76 -4.75 120.40 127.64 2vak s VAL 172 Ca 0.21 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.31 2vak s VAL 172 Cb -0.17 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.19 2vak s VAL 172 CO 0.13 -0.01 -0.11 -0.70 0.00 0.00 0.00 175.10 174.41 2vak s GLU 173 N 1.45 1.89 0.07 2.72 2.12 -1.26 0.70 118.70 126.39 2vak s GLU 173 Ca 0.01 -0.40 0.06 0.00 0.36 0.00 0.00 54.97 55.00 2vak s GLU 173 Cb -0.18 -1.81 -0.04 0.00 0.26 0.00 0.00 34.13 32.36 2vak s GLU 173 CO 0.02 -0.23 -0.10 0.95 -0.54 0.00 0.00 175.26 175.35 2vak s THR 174 N 1.54 3.34 0.05 -1.70 -4.23 -0.07 -4.72 115.64 109.85 2vak s THR 174 Ca 0.04 -1.13 -0.08 0.00 -1.18 0.00 0.00 61.69 59.34 2vak s THR 174 Cb -0.13 -2.51 -0.00 0.00 1.34 0.00 0.00 72.50 71.20 2vak s THR 174 CO -0.08 0.22 0.16 -1.66 -0.54 0.00 0.00 174.62 172.72 2vak s TRP 175 N -1.11 0.13 0.17 3.99 -2.14 -1.26 0.22 118.94 118.93 2vak s TRP 175 Ca 0.19 -0.42 -0.34 0.00 2.66 0.00 0.00 56.10 58.20 2vak s TRP 175 Cb -0.11 -0.08 -0.14 0.00 -3.10 0.00 0.00 33.47 30.04 2vak s TRP 175 CO 0.11 -0.43 1.47 -2.30 -2.66 0.00 0.00 176.95 173.14 2vak n PRO 176 N 0.54 1.90 -3.83 3.25 -0.02 -1.26 -2.56 135.00 133.03 2vak n PRO 176 Ca -0.18 0.68 -0.23 0.00 -2.02 0.00 0.00 63.50 61.75 2vak n PRO 176 Cb 0.60 -2.39 0.01 0.00 -0.02 0.00 0.00 33.50 31.69 2vak n PRO 176 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2vak n ASN 177 N 2.88 -0.71 -0.05 2.55 2.85 -1.26 -4.91 115.26 116.61 2vak n ASN 177 Ca 0.16 -0.91 -0.15 0.00 -0.11 0.00 0.00 54.58 53.56 2vak n ASN 177 Cb 0.28 -3.55 -0.07 0.00 1.24 0.00 0.00 39.78 37.67 2vak n ASN 177 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2vak h MET 178 N -1.85 0.55 -4.63 1.20 -0.00 -1.89 -3.37 114.93 104.94 2vak h MET 178 Ca -0.62 -0.39 -0.71 0.00 -0.00 0.00 0.00 59.70 57.97 2vak h MET 178 Cb 1.37 0.06 -0.20 0.00 -0.00 0.00 0.00 31.60 32.83 2vak h MET 178 CO 0.59 1.01 0.24 0.42 -0.00 0.00 0.00 176.91 179.18 2vak s ILE 179 N -3.89 4.91 -0.21 -0.10 1.01 -1.26 -4.96 121.20 116.71 2vak s ILE 179 Ca -0.13 -1.30 -0.23 0.00 0.00 0.00 0.00 60.65 58.99 2vak s ILE 179 Cb 0.06 -4.54 0.06 0.00 0.01 0.00 0.00 42.46 38.05 2vak s ILE 179 CO 0.82 -1.18 0.63 -0.94 0.00 0.00 0.00 174.94 174.26 2vak s SER 180 N 3.41 -0.64 1.45 3.58 1.04 -1.26 -4.57 113.70 116.70 2vak s SER 180 Ca 0.16 1.18 0.00 0.00 0.48 0.00 0.00 55.95 57.77 2vak s SER 180 Cb -0.19 1.18 0.00 0.00 0.10 0.00 0.00 66.02 67.11 2vak s SER 180 CO 0.01 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2vak n GLY 181 N 2.50 1.80 0.27 7.32 0.00 -1.26 -2.69 105.19 113.13 2vak n GLY 181 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2vak n GLY 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vak n ARG 182 N 2.24 0.62 0.00 1.61 1.74 -1.26 -2.87 116.66 118.74 2vak n ARG 182 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2vak n ARG 182 Cb 0.00 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 2vak n ARG 182 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2vak n LEU 183 N -0.13 0.00 -0.09 0.55 7.94 -1.10 -3.88 117.00 120.30 2vak n LEU 183 Ca 0.00 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.04 2vak n LEU 183 Cb 0.08 0.00 0.64 0.00 0.53 0.00 0.00 43.42 44.67 2vak n LEU 183 CO 0.00 0.00 0.90 0.00 -1.11 0.00 0.00 177.39 177.18 2vak n ALA 184 N -0.87 2.71 -0.04 1.96 0.00 -1.19 -2.98 120.51 120.10 2vak n ALA 184 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 53.44 53.22 2vak n ALA 184 Cb 0.05 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.00 2vak n ALA 184 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2vak n ASP 185 N -1.05 0.96 -0.02 0.00 9.92 -1.14 -3.37 116.55 121.86 2vak n ASP 185 Ca 0.14 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 54.19 2vak n ASP 185 Cb 0.27 1.43 -0.13 0.00 -0.64 0.00 0.00 41.12 42.05 2vak n ASP 185 CO 0.00 0.00 0.00 -0.25 0.13 0.00 0.00 177.20 177.08 2vak h TRP 186 N 0.00 0.36 -0.51 1.24 7.01 -1.68 -3.09 115.95 119.27 2vak h TRP 186 Ca -0.18 -0.26 -0.02 0.00 2.11 0.00 0.00 58.89 60.54 2vak h TRP 186 Cb 1.31 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 28.33 2vak h TRP 186 CO 0.00 1.68 0.25 0.74 -2.79 0.00 0.00 178.44 178.32 2vak h PHE 187 N -0.26 0.70 0.00 2.65 0.04 -1.76 -2.08 116.94 116.22 2vak h PHE 187 Ca -0.39 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.28 2vak h PHE 187 Cb 1.81 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 39.72 2vak h PHE 187 CO 0.09 0.52 -0.40 1.98 -0.60 0.00 0.00 178.31 179.90 2vak h MET 188 N 0.72 0.00 0.00 1.51 4.05 -1.71 -2.64 114.93 116.85 2vak h MET 188 Ca 0.18 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.60 2vak h MET 188 Cb 0.08 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 2vak h MET 188 CO -0.02 0.40 0.00 0.45 0.23 0.00 0.00 176.91 177.96 2vak n SER 189 N -3.48 0.00 -3.15 1.39 2.88 -0.80 -3.40 113.62 107.06 2vak n SER 189 Ca 0.00 -1.03 -0.20 0.00 -1.33 0.00 0.00 58.87 56.31 2vak n SER 189 Cb 0.54 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.97 2vak n SER 189 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2vak n GLN 190 N -0.91 1.36 -2.89 -1.46 6.02 -1.00 -5.06 117.38 113.44 2vak n GLN 190 Ca 0.17 -3.64 -0.37 0.00 -0.01 0.00 0.00 57.00 53.16 2vak n GLN 190 Cb 0.08 -1.79 -0.06 0.00 1.02 0.00 0.00 30.24 29.48 2vak n GLN 190 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2vak s TYR 191 N -2.59 3.70 0.00 1.08 5.04 -1.22 -3.81 117.35 119.56 2vak s TYR 191 Ca 0.41 1.65 0.00 0.00 -2.44 0.00 0.00 57.07 56.70 2vak s TYR 191 Cb 0.33 -2.82 0.00 0.00 0.35 0.00 0.00 41.96 39.83 2vak s TYR 191 CO -0.09 0.28 0.00 0.41 -1.34 0.00 0.00 175.55 174.81 2vak n GLY 192 N 0.71 0.38 3.82 8.97 0.00 0.86 -4.98 105.19 114.96 2vak n GLY 192 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2vak n GLY 192 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2vak s ASN 193 N -2.30 5.21 -0.02 1.61 0.02 -1.25 -4.51 114.94 113.70 2vak s ASN 193 Ca 0.00 1.55 -0.19 0.00 -1.02 0.00 0.00 52.86 53.20 2vak s ASN 193 Cb 0.00 -2.40 -0.05 0.00 0.02 0.00 0.00 41.25 38.81 2vak s ASN 193 CO 0.00 -1.54 0.55 0.21 0.02 0.00 0.00 177.10 176.34 2vak s ASN 194 N -3.82 6.91 0.17 -1.22 3.84 -1.26 0.87 114.94 120.42 2vak s ASN 194 Ca 0.59 1.09 -0.22 0.00 0.21 0.00 0.00 52.86 54.52 2vak s ASN 194 Cb -0.14 -2.34 0.07 0.00 -0.55 0.00 0.00 41.25 38.29 2vak s ASN 194 CO 0.55 0.12 1.61 0.15 -2.79 0.00 0.00 177.10 176.73 2vak h PHE 195 N 5.66 -0.80 -0.53 0.43 3.57 -1.06 -0.82 116.94 123.39 2vak h PHE 195 Ca -0.45 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.07 2vak h PHE 195 Cb 1.20 0.41 -0.03 0.00 2.79 0.00 0.00 35.95 40.33 2vak h PHE 195 CO 0.66 -0.36 0.22 0.28 -2.23 0.00 0.00 178.31 176.88 2vak h VAL 196 N -0.23 1.19 0.40 1.41 2.07 -1.93 -1.63 116.25 117.54 2vak h VAL 196 Ca 0.18 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2vak h VAL 196 Cb 0.52 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2vak h VAL 196 CO -0.53 0.23 -0.49 -0.78 0.02 0.00 0.00 177.57 176.02 2vak h ASP 197 N 0.75 -1.38 -0.91 0.57 -0.00 -1.75 -2.46 116.42 111.24 2vak h ASP 197 Ca 0.18 0.12 0.11 0.00 -0.00 0.00 0.00 57.03 57.44 2vak h ASP 197 Cb 0.13 0.47 -0.08 0.00 -0.00 0.00 0.00 39.33 39.85 2vak h ASP 197 CO -0.02 -0.63 0.55 0.24 -0.00 0.00 0.00 179.24 179.38 2vak h MET 198 N -0.92 0.86 -0.76 0.28 2.86 -0.91 -2.42 114.93 113.91 2vak h MET 198 Ca -0.04 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 2vak h MET 198 Cb 0.83 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.26 2vak h MET 198 CO -0.11 0.57 0.38 0.00 1.06 0.00 0.00 176.91 178.80 2vak h ALA 200 N 1.34 0.87 -0.97 0.00 0.00 -0.98 -0.65 119.26 118.87 2vak h ALA 200 Ca 0.26 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2vak h ALA 200 Cb 0.08 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2vak h ALA 200 CO -0.04 0.66 0.62 -0.09 0.00 0.00 0.00 179.25 180.41 2vak h ARG 201 N 0.32 1.30 0.00 0.00 2.43 -1.12 -1.97 114.38 115.34 2vak h ARG 201 Ca 0.01 -0.09 -0.13 0.00 -0.81 0.00 0.00 59.98 58.96 2vak h ARG 201 Cb 0.98 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 2vak h ARG 201 CO 0.09 0.88 -0.86 -0.07 -1.51 0.00 0.00 179.97 178.49 2vak h LEU 202 N 1.33 0.00 -0.49 3.80 3.38 -1.32 -0.85 115.31 121.15 2vak h LEU 202 Ca 0.35 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.20 2vak h LEU 202 Cb -0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2vak h LEU 202 CO -0.07 0.56 -0.16 0.74 0.09 0.00 0.00 178.44 179.59 2vak h THR 203 N 0.00 1.27 -0.18 0.22 2.02 -1.03 -3.03 112.91 112.19 2vak h THR 203 Ca -0.06 -1.32 -0.13 0.00 0.77 0.00 0.00 66.41 65.67 2vak h THR 203 Cb 1.48 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 2vak h THR 203 CO 0.06 0.46 -0.39 -0.61 0.37 0.00 0.00 175.52 175.41 2vak h GLN 204 N 0.83 0.58 -0.36 6.66 4.15 -1.38 -3.23 115.11 122.36 2vak h GLN 204 Ca 0.12 -0.39 0.08 0.00 0.77 0.00 0.00 58.65 59.23 2vak h GLN 204 Cb 0.74 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.46 2vak h GLN 204 CO 0.06 1.00 0.25 0.77 -1.93 0.00 0.00 178.83 178.98 2vak h SER 205 N 0.24 0.11 -0.77 -0.69 0.02 -1.21 -2.97 113.55 108.28 2vak h SER 205 Ca 0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.47 2vak h SER 205 Cb 1.00 -0.02 -0.23 0.00 0.14 0.00 0.00 62.40 63.29 2vak h SER 205 CO 0.09 0.07 0.63 0.00 -1.14 0.00 0.00 176.83 176.47 2vak h SER 207 N 1.46 0.20 -3.49 0.00 0.02 -1.68 -3.42 113.55 106.64 2vak h SER 207 Ca 0.48 -0.84 -0.53 0.00 -0.84 0.00 0.00 61.79 60.05 2vak h SER 207 Cb 1.35 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.80 2vak h SER 207 CO 1.12 1.02 0.18 0.54 -1.14 0.00 0.00 176.83 178.55 2vak s ASN 208 N -6.37 7.33 -0.26 3.07 4.22 -1.26 -4.90 114.94 116.77 2vak s ASN 208 Ca -0.16 1.59 0.02 0.00 -2.14 0.00 0.00 52.86 52.16 2vak s ASN 208 Cb 0.00 -2.49 0.36 0.00 1.28 0.00 0.00 41.25 40.39 2vak s ASN 208 CO 0.74 0.12 1.56 0.23 -2.04 0.00 0.00 177.10 177.71 2vak n MET 209 N 2.10 1.71 0.00 3.55 2.81 -1.26 -4.52 117.12 121.51 2vak n MET 209 Ca -0.04 -1.68 0.00 0.00 -1.81 0.00 0.00 57.70 54.17 2vak n MET 209 Cb 0.49 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 2vak n MET 209 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 2vak n PRO 210 N -0.35 0.00 -3.27 0.03 -0.02 -1.26 -4.44 135.00 125.69 2vak n PRO 210 Ca 0.33 0.00 -0.46 0.00 -2.02 0.00 0.00 63.50 61.35 2vak n PRO 210 Cb 1.10 -0.65 -0.03 0.00 -0.02 0.00 0.00 33.50 33.90 2vak n PRO 210 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2vak s VAL 211 N 0.14 5.35 0.06 -1.45 1.01 -1.26 -4.83 120.40 119.42 2vak s VAL 211 Ca 0.00 -1.98 0.02 0.00 0.00 0.00 0.00 61.98 60.02 2vak s VAL 211 Cb 0.00 -4.46 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 2vak s VAL 211 CO 0.00 -1.03 0.07 -1.61 0.00 0.00 0.00 175.10 172.53 2vak s GLU 212 N 1.02 2.90 -0.01 2.72 8.01 -1.26 -4.83 118.70 127.25 2vak s GLU 212 Ca 0.14 -0.65 -0.35 0.00 0.01 0.00 0.00 54.97 54.12 2vak s GLU 212 Cb -0.17 -2.74 -0.13 0.00 -4.31 0.00 0.00 34.13 26.77 2vak s GLU 212 CO -0.04 0.58 1.70 -2.30 0.01 0.00 0.00 175.26 175.22 2vak n PRO 213 N 0.63 1.92 -0.98 0.39 -0.02 -1.26 -1.57 135.00 134.11 2vak n PRO 213 Ca -0.10 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2vak n PRO 213 Cb 0.52 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 4.97 -0.40 -2.88 2.55 8.00 -1.26 -5.02 116.55 122.52 2vak n ASP 214 Ca 0.21 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.65 2vak n ASP 214 Cb 0.26 -0.20 0.05 0.00 -0.02 0.00 0.00 41.12 41.21 2vak n ASP 214 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vak n GLY 215 N -2.10 -3.18 0.26 0.44 0.00 -0.61 -4.63 105.19 95.37 2vak n GLY 215 Ca 0.00 -1.34 -0.15 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.84 -0.51 -0.30 1.61 2.35 -1.90 -2.19 115.58 112.80 2vak h ASN 216 Ca -0.07 -0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.67 2vak h ASN 216 Cb 0.23 0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 2vak h ASN 216 CO 0.04 -0.27 0.10 1.88 -1.65 0.00 0.00 177.43 177.53 2vak h TYR 217 N -0.73 0.18 -0.40 1.19 0.05 -1.91 -0.38 116.97 114.97 2vak h TYR 217 Ca -0.06 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.77 2vak h TYR 217 Cb 0.53 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 38.19 2vak h TYR 217 CO -0.02 0.08 0.17 0.22 -1.05 0.00 0.00 178.16 177.56 2vak h ASP 218 N 0.23 0.21 -0.39 3.88 3.58 -1.79 -1.30 116.42 120.84 2vak h ASP 218 Ca 0.13 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 2vak h ASP 218 Cb 0.10 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 2vak h ASP 218 CO -0.14 0.16 0.23 1.56 -2.88 0.00 0.00 179.24 178.17 2vak h GLN 219 N 0.34 0.53 -0.05 0.28 4.20 -1.26 -2.00 115.11 117.15 2vak h GLN 219 Ca 0.18 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.87 2vak h GLN 219 Cb 0.13 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 2vak h GLN 219 CO -0.16 0.40 -0.27 1.96 -0.67 0.00 0.00 178.83 180.10 2vak h GLN 220 N 0.50 -0.37 0.08 1.46 4.20 -0.32 -1.32 115.11 119.34 2vak h GLN 220 Ca 0.14 0.03 -0.26 0.00 0.06 0.00 0.00 58.65 58.62 2vak h GLN 220 Cb 0.02 0.08 0.01 0.00 0.30 0.00 0.00 27.48 27.89 2vak h GLN 220 CO -0.02 -0.25 -1.12 0.00 -0.67 0.00 0.00 178.83 176.77 2vak h MET 221 N -0.38 0.37 -0.59 1.46 -0.00 -1.30 -0.95 114.93 113.53 2vak h MET 221 Ca 0.08 -0.50 0.01 0.00 -0.00 0.00 0.00 59.70 59.29 2vak h MET 221 Cb 0.49 0.17 -0.03 0.00 -0.00 0.00 0.00 31.60 32.23 2vak h MET 221 CO -0.27 1.19 0.39 0.00 -0.00 0.00 0.00 176.91 178.22 2vak h ARG 222 N 0.16 0.74 0.05 -0.10 3.08 -1.36 -0.53 114.38 116.43 2vak h ARG 222 Ca -0.12 -0.04 -0.23 0.00 0.07 0.00 0.00 59.98 59.65 2vak h ARG 222 Cb 1.80 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.67 2vak h ARG 222 CO 0.19 0.49 -1.06 0.00 -1.07 0.00 0.00 179.97 178.53 2vak h ALA 223 N 1.64 0.30 0.22 0.04 0.00 -1.20 -3.14 119.26 117.12 2vak h ALA 223 Ca 0.22 -0.84 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 2vak h ALA 223 Cb -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2vak h ALA 223 CO -0.05 1.02 -0.10 1.25 0.00 0.00 0.00 179.25 181.37 2vak h LEU 224 N 0.07 -0.25 -0.30 0.00 5.85 -0.89 -1.89 115.31 117.91 2vak h LEU 224 Ca -0.07 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.47 2vak h LEU 224 Cb 1.76 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 42.78 2vak h LEU 224 CO 0.16 0.13 -0.46 0.40 -0.34 0.00 0.00 178.44 178.33 2vak h ILE 225 N -0.66 0.09 0.00 4.05 2.04 -1.23 -2.12 117.51 119.68 2vak h ILE 225 Ca -0.03 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 2vak h ILE 225 Cb 0.47 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2vak h ILE 225 CO 0.05 0.00 -0.21 0.77 0.00 0.00 0.00 178.15 178.76 2vak h SER 226 N -0.42 0.00 -0.04 1.72 4.64 -1.61 -0.71 113.55 117.13 2vak h SER 226 Ca 0.10 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.33 2vak h SER 226 Cb 0.61 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.71 2vak h SER 226 CO -0.51 0.21 -0.31 0.25 -0.87 0.00 0.00 176.83 175.59 2vak h LEU 227 N 0.00 0.34 0.04 5.97 5.85 -1.12 -2.71 115.31 123.68 2vak h LEU 227 Ca -0.00 -0.69 -0.00 0.00 0.84 0.00 0.00 57.88 58.02 2vak h LEU 227 Cb 0.81 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2vak h LEU 227 CO 0.03 0.98 -0.02 -0.25 -0.34 0.00 0.00 178.44 178.84 2vak h TRP 228 N -0.27 -0.05 -0.69 1.25 7.01 -1.29 -2.30 115.95 119.61 2vak h TRP 228 Ca -0.03 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 60.99 2vak h TRP 228 Cb 1.00 0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 28.04 2vak h TRP 228 CO 0.14 -0.01 0.46 1.25 -2.79 0.00 0.00 178.44 177.49 2vak h LEU 229 N -0.07 0.76 -0.54 0.65 5.85 -1.20 0.95 115.31 121.71 2vak h LEU 229 Ca -0.01 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.54 2vak h LEU 229 Cb 0.06 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 2vak h LEU 229 CO 0.01 0.54 -0.69 -0.07 -0.34 0.00 0.00 178.44 177.89 2vak h LEU 230 N 0.89 0.25 0.16 2.25 3.38 -1.49 -0.77 115.31 119.99 2vak h LEU 230 Ca 0.26 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2vak h LEU 230 Cb -0.04 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2vak h LEU 230 CO -0.06 0.86 -0.08 0.28 0.09 0.00 0.00 178.44 179.53 2vak h SER 231 N 0.15 -0.18 -0.91 -0.43 0.02 -0.57 -1.46 113.55 110.17 2vak h SER 231 Ca -0.02 -0.29 0.18 0.00 -0.84 0.00 0.00 61.79 60.82 2vak h SER 231 Cb 1.24 0.05 -0.17 0.00 0.14 0.00 0.00 62.40 63.65 2vak h SER 231 CO 0.11 0.22 -0.25 0.22 -1.14 0.00 0.00 176.83 175.99 2vak h TYR 232 N -0.63 -0.57 0.00 3.45 3.20 0.95 0.21 116.97 123.59 2vak h TYR 232 Ca -0.02 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2vak h TYR 232 Cb 0.47 0.39 0.00 0.00 1.54 0.00 0.00 36.73 39.13 2vak h TYR 232 CO 0.05 -0.39 0.00 0.44 -1.64 0.00 0.00 178.16 176.62 2vak n ILE 233 N -5.56 0.09 0.00 1.81 -5.35 -0.30 -4.67 119.36 105.38 2vak n ILE 233 Ca 0.13 0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.63 2vak n ILE 233 Cb 0.45 -0.57 0.00 0.00 -1.74 0.00 0.00 39.64 37.78 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 1.03 2.56 0.16 3.28 0.00 0.06 -3.86 105.19 108.42 2vak n GLY 234 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.18 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 1.09 -3.70 1.61 -1.51 -1.63 -3.39 116.25 108.72 2vak h VAL 235 Ca 0.00 -1.94 -0.67 0.00 -1.23 0.00 0.00 66.70 62.86 2vak h VAL 235 Cb 0.00 2.14 -0.20 0.00 -2.13 0.00 0.00 31.29 31.09 2vak h VAL 235 CO 0.00 0.50 -0.52 -0.69 -1.23 0.00 0.00 177.57 175.63 2vak s VAL 236 N -3.43 4.95 0.00 7.19 1.01 -0.60 -4.83 120.40 124.68 2vak s VAL 236 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2vak s VAL 236 Cb 0.11 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2vak s VAL 236 CO 0.73 0.06 0.00 -0.46 0.00 0.00 0.00 175.10 175.43 2vak n ASN 237 N 5.04 0.00 -0.19 3.32 0.23 -0.76 -3.92 115.26 118.98 2vak n ASN 237 Ca -0.13 -0.15 0.07 0.00 -0.53 0.00 0.00 54.58 53.84 2vak n ASN 237 Cb 0.50 0.00 0.35 0.00 -2.08 0.00 0.00 39.78 38.55 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 0.73 -0.12 -3.83 5.75 -1.95 -2.13 115.11 113.56 2vak h GLN 238 Ca 0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 2vak h GLN 238 Cb 0.00 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.39 2vak h GLN 238 CO 0.00 0.48 0.00 0.25 -2.65 0.00 0.00 178.83 176.91 2vak n THR 239 N -4.48 0.15 -3.15 2.39 -2.24 -1.26 -4.67 114.28 101.02 2vak n THR 239 Ca 0.11 -0.28 0.02 0.00 -2.27 0.00 0.00 64.05 61.63 2vak n THR 239 Cb 0.24 0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.75 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 -1.64 -1.37 0.46 3.42 2.47 -0.80 -4.12 114.94 113.36 2vak s ASN 240 Ca 0.33 -0.57 0.07 0.00 0.42 0.00 0.00 52.86 53.11 2vak s ASN 240 Cb 0.17 1.77 -0.01 0.00 -1.45 0.00 0.00 41.25 41.73 2vak s ASN 240 CO 0.27 -0.17 0.34 0.42 -3.72 0.00 0.00 177.10 174.24 2vak s THR 241 N 2.01 2.18 -0.30 -5.21 -4.23 -0.28 -1.83 115.64 107.97 2vak s THR 241 Ca 0.15 -1.49 0.01 0.00 -1.18 0.00 0.00 61.69 59.18 2vak s THR 241 Cb -0.04 -2.67 0.07 0.00 1.34 0.00 0.00 72.50 71.20 2vak s THR 241 CO -0.11 0.00 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.33 2vak s ILE 242 N -2.62 2.61 -1.45 2.99 1.01 -0.78 -0.29 121.20 122.67 2vak s ILE 242 Ca 0.41 -1.68 -0.06 0.00 0.00 0.00 0.00 60.65 59.32 2vak s ILE 242 Cb -0.01 -2.60 0.05 0.00 0.01 0.00 0.00 42.46 39.91 2vak s ILE 242 CO 0.24 -0.20 0.74 -1.20 0.00 0.00 0.00 174.94 174.51 2vak n SER 243 N 4.50 -2.36 0.00 3.58 7.64 -1.26 -1.38 113.62 124.33 2vak n SER 243 Ca -0.10 -0.87 0.00 0.00 1.01 0.00 0.00 58.87 58.91 2vak n SER 243 Cb 0.42 -3.63 0.00 0.00 -1.01 0.00 0.00 64.21 59.99 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 -1.69 2.97 3.78 0.23 0.00 -1.26 -5.00 105.19 104.22 2vak n GLY 244 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.25 3.61 0.30 1.61 0.08 -0.48 -2.07 117.98 118.78 2vak s PHE 245 Ca 0.00 0.91 -0.05 0.00 0.12 0.00 0.00 56.93 57.90 2vak s PHE 245 Cb 0.00 -2.40 -0.00 0.00 -0.57 0.00 0.00 43.02 40.05 2vak s PHE 245 CO 0.00 0.41 0.43 1.52 -0.10 0.00 0.00 175.22 177.48 2vak s TYR 246 N -0.24 0.87 -0.08 0.36 1.13 -1.15 -1.87 117.35 116.38 2vak s TYR 246 Ca 0.24 -1.14 0.05 0.00 -1.41 0.00 0.00 57.07 54.80 2vak s TYR 246 Cb -0.16 -0.07 -0.00 0.00 -1.10 0.00 0.00 41.96 40.63 2vak s TYR 246 CO 0.11 -1.03 -0.24 -0.06 -2.51 0.00 0.00 175.55 171.82 2vak s PHE 247 N -3.47 2.45 0.06 -3.49 0.40 -1.26 -1.68 117.98 110.99 2vak s PHE 247 Ca 0.29 -0.90 0.09 0.00 -0.60 0.00 0.00 56.93 55.81 2vak s PHE 247 Cb 0.00 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.87 2vak s PHE 247 CO 0.16 -0.34 -0.23 0.45 0.70 0.00 0.00 175.22 175.96 2vak s SER 248 N 0.16 3.44 -0.03 1.36 0.15 0.11 -4.84 113.70 114.05 2vak s SER 248 Ca -0.13 -0.55 0.07 0.00 0.70 0.00 0.00 55.95 56.04 2vak s SER 248 Cb -0.16 -0.40 -0.02 0.00 -1.71 0.00 0.00 66.02 63.73 2vak s SER 248 CO 0.07 0.24 -0.24 -0.55 1.20 0.00 0.00 173.24 173.96 2vak s SER 249 N -1.45 2.85 0.04 5.45 0.15 -1.26 -0.38 113.70 119.10 2vak s SER 249 Ca 0.13 -0.45 -0.28 0.00 0.70 0.00 0.00 55.95 56.05 2vak s SER 249 Cb -0.10 -0.48 -0.17 0.00 -1.71 0.00 0.00 66.02 63.56 2vak s SER 249 CO 0.04 0.27 1.44 0.11 1.20 0.00 0.00 173.24 176.31 2vak h LYS 250 N 5.73 -0.58 -6.31 5.44 6.56 -1.93 -3.44 116.57 122.04 2vak h LYS 250 Ca -0.38 0.04 -0.45 0.00 -1.06 0.00 0.00 60.65 58.80 2vak h LYS 250 Cb 1.14 0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.94 2vak h LYS 250 CO 0.47 -0.31 -0.35 0.95 -2.06 0.00 0.00 179.45 178.16 2vak s THR 251 N -5.40 4.56 -0.06 -0.16 -4.23 -1.26 -5.10 115.64 103.98 2vak s THR 251 Ca -0.15 -0.93 -0.03 0.00 -1.18 0.00 0.00 61.69 59.40 2vak s THR 251 Cb 0.03 -3.60 0.04 0.00 1.34 0.00 0.00 72.50 70.30 2vak s THR 251 CO 0.58 -0.25 0.07 -0.60 -0.54 0.00 0.00 174.62 173.88 2vak s ARG 252 N -4.13 -0.05 0.00 3.99 6.06 -1.26 -4.55 118.95 119.00 2vak s ARG 252 Ca 0.41 0.31 0.00 0.00 -2.50 0.00 0.00 55.73 53.95 2vak s ARG 252 Cb -0.09 -0.72 0.00 0.00 0.06 0.00 0.00 34.95 34.20 2vak s ARG 252 CO 0.31 -0.39 0.00 0.41 -2.50 0.00 0.00 175.30 173.13 2vak n GLY 253 N 5.30 0.79 2.36 8.12 0.00 -1.26 -4.52 105.19 115.97 2vak n GLY 253 Ca -0.04 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.33 0.38 0.07 1.61 10.64 -1.26 -4.36 117.38 122.13 2vak n GLN 254 Ca 0.00 -2.44 0.03 0.00 -1.83 0.00 0.00 57.00 52.75 2vak n GLN 254 Cb 0.01 1.86 0.40 0.00 -0.86 0.00 0.00 30.24 31.65 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 1.58 0.00 2.61 0.00 -1.95 -2.95 119.26 120.27 2vak h ALA 255 Ca -0.18 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2vak h ALA 255 Cb 0.88 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2vak h ALA 255 CO 0.27 0.31 0.00 -0.07 0.00 0.00 0.00 179.25 179.77 2vak h LEU 256 N 0.38 0.00 -8.02 0.00 3.38 -1.97 -3.47 115.31 105.61 2vak h LEU 256 Ca 0.09 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.37 2vak h LEU 256 Cb 0.19 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.99 2vak h LEU 256 CO -0.00 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.00 2vak n ASP 257 N -2.57 -0.12 -3.65 -0.43 10.43 -1.12 -4.80 116.55 114.29 2vak n ASP 257 Ca 0.04 1.03 -0.06 0.00 2.57 0.00 0.00 54.79 58.36 2vak n ASP 257 Cb 0.38 -0.82 -0.07 0.00 1.84 0.00 0.00 41.12 42.45 2vak n ASP 257 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 2vak s SER 258 N -0.09 -0.93 -0.25 -2.24 0.15 -1.26 -5.06 113.70 104.02 2vak s SER 258 Ca 0.79 1.46 -0.10 0.00 0.70 0.00 0.00 55.95 58.79 2vak s SER 258 Cb -1.10 1.48 -0.05 0.00 -1.71 0.00 0.00 66.02 64.64 2vak s SER 258 CO 0.51 -0.23 0.16 0.26 1.20 0.00 0.00 173.24 175.13 2vak s TRP 259 N 1.84 3.25 -0.10 3.44 0.52 -1.26 -4.09 118.94 122.55 2vak s TRP 259 Ca -0.09 0.12 -0.02 0.00 0.02 0.00 0.00 56.10 56.12 2vak s TRP 259 Cb -0.07 -2.30 -0.03 0.00 -1.15 0.00 0.00 33.47 29.92 2vak s TRP 259 CO -0.19 -0.06 0.01 0.99 0.02 0.00 0.00 176.95 177.72 2vak s THR 260 N 1.34 4.34 -0.60 2.01 2.01 0.49 -0.36 115.64 124.87 2vak s THR 260 Ca 0.07 -0.23 -0.27 0.00 0.31 0.00 0.00 61.69 61.56 2vak s THR 260 Cb -0.15 -2.84 0.03 0.00 0.01 0.00 0.00 72.50 69.56 2vak s THR 260 CO 0.07 0.59 1.17 -0.22 -0.69 0.00 0.00 174.62 175.54 2vak s LEU 261 N -0.75 3.52 0.00 4.42 2.96 0.25 -0.71 118.68 128.36 2vak s LEU 261 Ca 0.12 -0.06 0.06 0.00 -0.22 0.00 0.00 54.13 54.03 2vak s LEU 261 Cb -0.12 -3.02 0.06 0.00 0.50 0.00 0.00 46.19 43.62 2vak s LEU 261 CO 0.02 -1.50 0.52 0.49 -1.32 0.00 0.00 176.35 174.57 2vak n PHE 262 N 8.43 -1.51 -3.65 5.38 3.72 -0.68 -0.10 117.46 129.06 2vak n PHE 262 Ca 0.07 -1.94 -0.14 0.00 -0.05 0.00 0.00 57.45 55.38 2vak n PHE 262 Cb 0.49 -0.43 -0.08 0.00 -0.94 0.00 0.00 39.48 38.52 2vak n PHE 262 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2vak s TYR 263 N -2.26 -0.65 0.02 1.38 5.04 -1.26 -2.94 117.35 116.68 2vak s TYR 263 Ca 0.40 1.51 -0.01 0.00 -2.44 0.00 0.00 57.07 56.52 2vak s TYR 263 Cb -0.03 0.25 -0.02 0.00 0.35 0.00 0.00 41.96 42.51 2vak s TYR 263 CO 0.25 -0.37 -0.01 0.99 -1.34 0.00 0.00 175.55 175.07 2vak s THR 264 N 0.00 0.10 -0.23 4.34 2.01 -0.88 -5.04 115.64 115.95 2vak s THR 264 Ca -0.02 -0.84 -0.13 0.00 0.31 0.00 0.00 61.69 61.01 2vak s THR 264 Cb -0.04 -0.27 -0.10 0.00 0.01 0.00 0.00 72.50 72.11 2vak s THR 264 CO 0.02 -0.46 -0.31 0.41 -0.69 0.00 0.00 174.62 173.59 2vak n THR 265 N 1.67 1.36 0.31 -0.82 -1.04 -1.26 -4.46 114.28 110.03 2vak n THR 265 Ca -0.23 -0.28 0.10 0.00 -2.04 0.00 0.00 64.05 61.60 2vak n THR 265 Cb 0.55 -1.88 0.46 0.00 -1.82 0.00 0.00 70.33 67.64 2vak n THR 265 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2vak n ASN 266 N -4.13 0.51 -4.84 8.00 4.13 -1.26 -4.84 115.26 112.83 2vak n ASN 266 Ca -0.44 0.66 -0.33 0.00 1.68 0.00 0.00 54.58 56.15 2vak n ASN 266 Cb 0.80 -0.76 -0.06 0.00 -1.54 0.00 0.00 39.78 38.22 2vak n ASN 266 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2vak s THR 267 N -3.32 4.68 0.17 3.41 -1.32 -1.26 -5.02 115.64 112.97 2vak s THR 267 Ca 0.02 0.98 -0.33 0.00 -1.21 0.00 0.00 61.69 61.15 2vak s THR 267 Cb 0.08 -3.65 -0.15 0.00 -1.51 0.00 0.00 72.50 67.27 2vak s THR 267 CO 0.29 -0.12 1.38 -3.20 -2.21 0.00 0.00 174.62 170.77 2vak n ASN 268 N -0.18 2.30 -4.34 8.08 2.85 -1.26 -4.91 115.26 117.80 2vak n ASN 268 Ca 0.02 1.12 -0.33 0.00 -0.11 0.00 0.00 54.58 55.28 2vak n ASN 268 Cb 0.53 -1.33 -0.14 0.00 1.24 0.00 0.00 39.78 40.07 2vak n ASN 268 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2vak s ARG 269 N 0.11 3.37 0.15 1.20 0.52 -1.26 -1.13 118.95 121.91 2vak s ARG 269 Ca 0.75 -0.67 -0.12 0.00 -0.52 0.00 0.00 55.73 55.17 2vak s ARG 269 Cb -0.76 -2.74 -0.07 0.00 0.52 0.00 0.00 34.95 31.90 2vak s ARG 269 CO 0.47 0.08 0.52 0.54 0.02 0.00 0.00 175.30 176.93 2vak s VAL 270 N 0.71 4.91 0.05 3.52 0.11 0.60 -4.90 120.40 125.40 2vak s VAL 270 Ca -0.05 0.69 0.05 0.00 -2.93 0.00 0.00 61.98 59.74 2vak s VAL 270 Cb -0.15 -3.69 -0.02 0.00 -1.53 0.00 0.00 36.38 30.98 2vak s VAL 270 CO 0.02 0.18 -0.14 -1.58 -3.33 0.00 0.00 175.10 170.25 2vak s GLN 271 N -2.14 0.88 -0.19 1.54 2.00 -1.26 -4.48 119.66 116.02 2vak s GLN 271 Ca 0.39 -0.85 -0.07 0.00 -2.00 0.00 0.00 55.36 52.83 2vak s GLN 271 Cb -0.14 -0.89 -0.04 0.00 0.80 0.00 0.00 33.01 32.74 2vak s GLN 271 CO 0.19 0.21 0.07 0.42 -0.50 0.00 0.00 175.29 175.68 2vak s ILE 272 N -1.04 4.77 0.04 -2.34 1.09 -1.26 -4.73 121.20 117.74 2vak s ILE 272 Ca 0.00 -0.04 -0.32 0.00 -1.10 0.00 0.00 60.65 59.20 2vak s ILE 272 Cb -0.09 -3.16 -0.18 0.00 -1.06 0.00 0.00 42.46 37.98 2vak s ILE 272 CO 0.02 0.45 1.38 0.74 -0.10 0.00 0.00 174.94 177.43 2vak h THR 273 N 4.92 0.14 -3.40 2.92 2.02 -1.24 -3.37 112.91 114.90 2vak h THR 273 Ca -0.37 -0.17 -0.44 0.00 0.77 0.00 0.00 66.41 66.21 2vak h THR 273 Cb 1.17 0.17 -0.14 0.00 -1.74 0.00 0.00 68.15 67.61 2vak h THR 273 CO 0.69 0.01 -0.57 0.00 0.37 0.00 0.00 175.52 176.02 2vak s GLN 274 N -5.39 1.63 0.07 6.66 -2.07 -1.26 -4.68 119.66 114.61 2vak s GLN 274 Ca -0.17 -1.93 -0.31 0.00 -1.82 0.00 0.00 55.36 51.14 2vak s GLN 274 Cb 0.02 -0.41 -0.07 0.00 -1.09 0.00 0.00 33.01 31.46 2vak s GLN 274 CO 0.53 -0.36 1.43 0.50 -1.32 0.00 0.00 175.29 176.08 2vak s ARG 275 N -3.87 4.29 -0.07 9.60 3.52 -1.26 -4.09 118.95 127.07 2vak s ARG 275 Ca 0.34 2.08 0.04 0.00 -0.13 0.00 0.00 55.73 58.06 2vak s ARG 275 Cb 0.06 -3.41 -0.02 0.00 -1.56 0.00 0.00 34.95 30.02 2vak s ARG 275 CO 0.15 -0.53 -0.19 -1.01 -0.81 0.00 0.00 175.30 172.92 2vak s HIS 276 N 1.77 2.60 -0.02 5.12 3.76 0.13 -4.83 115.29 123.83 2vak s HIS 276 Ca 0.66 -0.48 0.03 0.00 -0.15 0.00 0.00 55.06 55.12 2vak s HIS 276 Cb -0.35 -1.65 -0.00 0.00 1.11 0.00 0.00 32.58 31.68 2vak s HIS 276 CO 0.29 -0.06 -0.11 0.12 -0.85 0.00 0.00 174.74 174.14 2vak s PHE 277 N -0.30 1.05 0.01 1.40 5.36 -1.26 -0.89 117.98 123.35 2vak s PHE 277 Ca 0.01 -0.24 -0.01 0.00 -0.96 0.00 0.00 56.93 55.74 2vak s PHE 277 Cb -0.13 -0.71 -0.01 0.00 -0.34 0.00 0.00 43.02 41.83 2vak s PHE 277 CO 0.03 -0.07 -0.01 0.00 -1.46 0.00 0.00 175.22 173.71 2vak s ALA 278 N -0.02 0.05 -0.25 11.12 0.00 0.22 -5.01 121.76 127.88 2vak s ALA 278 Ca 0.00 -0.39 -0.15 0.00 0.00 0.00 0.00 51.96 51.42 2vak s ALA 278 Cb -0.07 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 2vak s ALA 278 CO 0.00 -0.12 0.39 0.71 0.00 0.00 0.00 175.76 176.74 2vak s TYR 279 N -1.05 3.29 -0.14 0.00 2.02 -1.26 -0.17 117.35 120.04 2vak s TYR 279 Ca -0.11 0.50 0.00 0.00 -0.37 0.00 0.00 57.07 57.09 2vak s TYR 279 Cb -0.07 -2.57 0.02 0.00 -0.40 0.00 0.00 41.96 38.95 2vak s TYR 279 CO -0.01 -0.16 -0.12 0.08 -1.57 0.00 0.00 175.55 173.78 2vak s VAL 280 N 1.82 1.41 0.26 0.71 1.01 -0.65 -0.35 120.40 124.61 2vak s VAL 280 Ca 0.17 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.70 2vak s VAL 280 Cb -0.15 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 2vak s VAL 280 CO 0.09 0.43 0.09 0.00 0.00 0.00 0.00 175.10 175.72 2vak s ALA 282 N -2.22 3.59 -0.05 0.00 0.00 -1.10 -0.87 121.76 121.11 2vak s ALA 282 Ca 0.32 -0.37 -0.27 0.00 0.00 0.00 0.00 51.96 51.65 2vak s ALA 282 Cb -0.07 -3.21 -0.21 0.00 0.00 0.00 0.00 23.12 19.63 2vak s ALA 282 CO 0.22 -1.01 1.16 -0.09 0.00 0.00 0.00 175.76 176.05 2vak h ARG 283 N 7.94 -0.00 -6.86 0.00 2.43 -0.91 -0.07 114.38 116.91 2vak h ARG 283 Ca -0.25 0.00 -0.47 0.00 -0.81 0.00 0.00 59.98 58.45 2vak h ARG 283 Cb 1.10 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 2vak h ARG 283 CO 0.84 0.59 0.20 -1.54 -1.51 0.00 0.00 179.97 178.56 2vak s SER 284 N -5.80 6.87 0.38 -3.80 1.04 -1.23 -4.34 113.70 106.82 2vak s SER 284 Ca -0.17 1.47 0.27 0.00 0.48 0.00 0.00 55.95 58.01 2vak s SER 284 Cb 0.01 -2.45 1.31 0.00 0.10 0.00 0.00 66.02 64.98 2vak s SER 284 CO 0.68 -0.26 1.83 -0.65 0.98 0.00 0.00 173.24 175.82 2vak h PRO 285 N 2.18 0.00 0.00 4.02 0.11 -1.92 -1.83 132.00 134.57 2vak h PRO 285 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 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 0.64 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 2vak n ASP 286 N -2.49 0.00 -0.05 -2.05 5.68 -1.26 -1.48 116.55 114.90 2vak n ASP 286 Ca -0.00 -0.04 0.19 0.00 -0.50 0.00 0.00 54.79 54.44 2vak n ASP 286 Cb 0.15 -0.17 0.64 0.00 -1.14 0.00 0.00 41.12 40.61 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 0.13 -0.07 2.11 5.08 -1.70 -2.60 115.95 118.91 2vak h TRP 287 Ca 0.00 0.00 0.02 0.00 1.08 0.00 0.00 58.89 59.99 2vak h TRP 287 Cb 0.05 -0.04 -0.00 0.00 -3.00 0.00 0.00 29.16 26.17 2vak h TRP 287 CO 0.00 0.05 0.07 -0.91 -1.28 0.00 0.00 178.44 176.37 2vak h ASN 288 N 0.11 0.00 -0.01 0.11 2.35 -1.53 -1.61 115.58 115.00 2vak h ASN 288 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2vak h ASN 288 Cb 0.98 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.35 2vak h ASN 288 CO -0.03 0.00 -0.18 0.55 -1.65 0.00 0.00 177.43 176.12 2vak n VAL 289 N -3.97 0.00 -3.10 2.81 3.14 -0.99 -0.82 118.33 115.41 2vak n VAL 289 Ca -0.01 -0.41 -0.44 0.00 -2.96 0.00 0.00 64.34 60.52 2vak n VAL 289 Cb 0.16 1.24 -0.06 0.00 -1.06 0.00 0.00 33.84 34.13 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 -1.58 6.23 0.22 6.55 -1.08 -0.61 -4.93 116.67 121.47 2vak s ASP 290 Ca 0.15 -0.92 0.12 0.00 -0.52 0.00 0.00 52.55 51.38 2vak s ASP 290 Cb 0.12 -2.32 0.01 0.00 -1.46 0.00 0.00 42.92 39.28 2vak s ASP 290 CO 0.30 -0.99 1.40 0.11 0.52 0.00 0.00 175.17 176.52 2vak h LYS 291 N 9.08 0.00 0.14 4.34 1.57 -1.92 -2.09 116.57 127.69 2vak h LYS 291 Ca -0.28 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.21 2vak h LYS 291 Cb 1.09 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.42 2vak h LYS 291 CO 1.01 0.72 -1.26 0.77 -0.57 0.00 0.00 179.45 180.11 2vak h SER 292 N 0.00 0.72 -0.91 0.86 0.02 -1.97 0.11 113.55 112.39 2vak h SER 292 Ca -0.01 -0.70 0.01 0.00 -0.84 0.00 0.00 61.79 60.26 2vak h SER 292 Cb 1.50 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 63.76 2vak h SER 292 CO 0.09 1.52 0.60 -0.25 -1.14 0.00 0.00 176.83 177.66 2vak h TRP 293 N 0.19 1.14 -0.09 3.45 2.91 -1.93 0.08 115.95 121.70 2vak h TRP 293 Ca -0.18 0.03 -0.22 0.00 1.13 0.00 0.00 58.89 59.65 2vak h TRP 293 Cb 1.94 -0.39 0.01 0.00 -0.51 0.00 0.00 29.16 30.21 2vak h TRP 293 CO 0.10 0.71 -0.83 0.82 -1.03 0.00 0.00 178.44 178.21 2vak h ILE 294 N 1.23 1.32 -0.29 2.65 2.04 -1.30 0.46 117.51 123.62 2vak h ILE 294 Ca 0.34 -2.11 0.04 0.00 1.00 0.00 0.00 64.86 64.12 2vak h ILE 294 Cb -0.13 2.13 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 2vak h ILE 294 CO -0.08 0.65 0.06 0.00 0.00 0.00 0.00 178.15 178.78 2vak h ALA 295 N 0.65 0.30 0.00 1.87 0.00 -0.68 -2.39 119.26 119.02 2vak h ALA 295 Ca -0.06 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2vak h ALA 295 Cb 1.45 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2vak h ALA 295 CO 0.16 -0.35 -0.31 0.00 0.00 0.00 0.00 179.25 178.74 2vak h ALA 296 N 1.21 1.46 0.00 0.00 0.00 -0.83 -2.45 119.26 118.66 2vak h ALA 296 Ca 0.13 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2vak h ALA 296 Cb 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2vak h ALA 296 CO -0.18 0.39 -0.19 0.00 0.00 0.00 0.00 179.25 179.28 2vak h ALA 297 N 1.69 1.00 0.07 0.00 0.00 -0.54 -2.06 119.26 119.42 2vak h ALA 297 Ca -0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2vak h ALA 297 Cb 0.56 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2vak h ALA 297 CO 0.04 0.24 -0.42 -0.91 0.00 0.00 0.00 179.25 178.20 2vak h ASN 298 N 0.00 0.24 -0.06 0.00 2.35 -0.99 -2.73 115.58 114.38 2vak h ASN 298 Ca -0.00 -0.98 0.04 0.00 -0.55 0.00 0.00 56.30 54.81 2vak h ASN 298 Cb 0.75 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 38.98 2vak h ASN 298 CO 0.02 1.20 -0.42 -0.07 -1.65 0.00 0.00 177.43 176.51 2vak h LEU 299 N -0.68 -1.31 -1.57 1.61 3.38 -1.51 -1.11 115.31 114.12 2vak h LEU 299 Ca -0.07 0.16 0.47 0.00 0.09 0.00 0.00 57.88 58.53 2vak h LEU 299 Cb 1.33 0.52 -0.12 0.00 0.09 0.00 0.00 40.66 42.48 2vak h LEU 299 CO 0.08 -0.44 0.99 0.74 0.09 0.00 0.00 178.44 179.89 2vak h THR 300 N -0.54 0.09 -0.26 0.22 2.02 -1.46 0.65 112.91 113.63 2vak h THR 300 Ca 0.06 -0.02 -0.11 0.00 0.77 0.00 0.00 66.41 67.11 2vak h THR 300 Cb 0.64 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2vak h THR 300 CO -0.36 0.01 -0.27 0.00 0.37 0.00 0.00 175.52 175.27 2vak h ALA 301 N 1.46 0.38 -0.38 6.16 0.00 -0.89 -1.78 119.26 124.21 2vak h ALA 301 Ca 0.85 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 55.25 2vak h ALA 301 Cb 2.89 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 20.59 2vak h ALA 301 CO -0.32 0.38 -0.22 0.82 0.00 0.00 0.00 179.25 179.91 2vak h ILE 302 N 0.36 1.28 -0.28 0.00 2.04 0.70 -2.89 117.51 118.73 2vak h ILE 302 Ca 0.04 -1.37 0.03 0.00 1.00 0.00 0.00 64.86 64.56 2vak h ILE 302 Cb 0.83 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 2vak h ILE 302 CO 0.07 0.45 0.11 0.58 0.00 0.00 0.00 178.15 179.36 2vak h VAL 303 N 0.62 0.94 0.00 1.67 2.07 -0.69 -3.03 116.25 117.83 2vak h VAL 303 Ca 0.08 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2vak h VAL 303 Cb 0.78 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2vak h VAL 303 CO 0.06 0.04 0.00 0.24 0.02 0.00 0.00 177.57 177.94 2vak h MET 304 N 0.24 0.00 0.16 1.57 2.86 -1.36 -3.34 114.93 115.07 2vak h MET 304 Ca 0.12 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.47 2vak h MET 304 Cb 0.08 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.75 2vak h MET 304 CO -0.11 0.00 -1.31 0.00 1.06 0.00 0.00 176.91 176.55 2vak h ALA 305 N 2.34 0.02 0.00 6.32 0.00 -1.38 -3.27 119.26 123.29 2vak h ALA 305 Ca 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 54.91 54.01 2vak h ALA 305 Cb 0.78 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2vak h ALA 305 CO 0.00 0.86 -0.18 0.00 0.00 0.00 0.00 179.25 179.93 2vak s ARG 307 N -3.74 2.02 -0.50 0.00 1.70 -1.24 -0.94 118.95 116.26 2vak s ARG 307 Ca 0.00 -2.21 -0.18 0.00 -0.47 0.00 0.00 55.73 52.87 2vak s ARG 307 Cb 0.10 -1.45 0.06 0.00 -0.57 0.00 0.00 34.95 33.09 2vak s ARG 307 CO 0.61 -0.21 0.57 -0.65 -1.08 0.00 0.00 175.30 174.54 2vak s GLN 308 N -3.79 3.09 0.67 3.89 -1.52 -0.34 -4.20 119.66 117.46 2vak s GLN 308 Ca 0.23 -0.98 -0.02 0.00 -1.95 0.00 0.00 55.36 52.65 2vak s GLN 308 Cb 0.06 -4.10 0.09 0.00 -0.22 0.00 0.00 33.01 28.84 2vak s GLN 308 CO 0.12 -1.17 0.94 -1.25 -0.25 0.00 0.00 175.29 173.67 2vak s PRO 309 N 2.42 1.99 0.47 2.91 0.04 -1.26 -4.73 135.00 136.84 2vak s PRO 309 Ca 0.13 -0.86 -0.22 0.00 0.04 0.00 0.00 61.00 60.09 2vak s PRO 309 Cb -0.20 -2.34 -0.09 0.00 0.04 0.00 0.00 34.50 31.90 2vak s PRO 309 CO 0.11 -1.22 0.91 -2.30 0.04 0.00 0.00 177.00 174.54 2vak n PRO 310 N -2.72 1.10 -2.71 0.56 -0.02 -1.26 -4.89 135.00 125.06 2vak n PRO 310 Ca 0.12 0.40 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 2vak n PRO 310 Cb 0.60 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 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 -1.39 4.77 0.38 -1.45 1.01 -1.26 -4.96 120.40 117.51 2vak s VAL 311 Ca 0.66 1.99 -0.26 0.00 0.00 0.00 0.00 61.98 64.37 2vak s VAL 311 Cb -0.52 -4.29 -0.11 0.00 0.00 0.00 0.00 36.38 31.45 2vak s VAL 311 CO 0.55 -0.03 1.19 0.49 0.00 0.00 0.00 175.10 177.29 2vak n PHE 312 N 5.31 1.87 -1.90 5.22 3.72 0.11 -1.34 117.46 130.46 2vak n PHE 312 Ca 0.09 0.56 -0.42 0.00 -0.05 0.00 0.00 57.45 57.62 2vak n PHE 312 Cb 0.48 -2.34 -0.03 0.00 -0.94 0.00 0.00 39.48 36.65 2vak n PHE 312 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2vak s ALA 313 N -1.16 3.80 0.42 4.37 0.00 0.40 -0.98 121.76 128.60 2vak s ALA 313 Ca 0.59 1.39 0.26 0.00 0.00 0.00 0.00 51.96 54.20 2vak s ALA 313 Cb -0.56 -3.64 1.33 0.00 0.00 0.00 0.00 23.12 20.24 2vak s ALA 313 CO 0.59 -0.84 1.65 -0.91 0.00 0.00 0.00 175.76 176.26 2vak h ASN 314 N 6.97 0.31 -0.01 0.00 2.35 -0.89 0.19 115.58 124.50 2vak h ASN 314 Ca -0.43 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 2vak h ASN 314 Cb 1.20 0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.68 2vak h ASN 314 CO 0.92 -0.14 -0.01 0.00 -1.65 0.00 0.00 177.43 176.56 2vak n GLN 315 N -4.74 1.58 0.00 0.81 10.64 -1.26 -2.85 117.38 121.57 2vak n GLN 315 Ca 0.34 -0.86 0.14 0.00 -1.83 0.00 0.00 57.00 54.79 2vak n GLN 315 Cb 1.27 -1.48 0.58 0.00 -0.86 0.00 0.00 30.24 29.75 2vak n GLN 315 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2vak n GLY 316 N 1.16 -1.07 3.24 2.61 0.00 0.67 -4.90 105.19 106.89 2vak n GLY 316 Ca 0.19 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.61 0.91 0.74 1.61 -7.23 -1.13 -4.50 120.40 108.20 2vak s VAL 317 Ca 0.25 -2.01 -0.13 0.00 -1.81 0.00 0.00 61.98 58.29 2vak s VAL 317 Cb 0.20 -1.92 0.05 0.00 0.56 0.00 0.00 36.38 35.26 2vak s VAL 317 CO 0.51 -0.67 1.12 0.27 -0.31 0.00 0.00 175.10 176.01 2vak s ILE 318 N -3.49 3.04 0.29 -0.62 -4.36 0.12 -4.84 121.20 111.33 2vak s ILE 318 Ca 0.18 0.40 0.03 0.00 -0.26 0.00 0.00 60.65 61.01 2vak s ILE 318 Cb 0.04 -2.86 0.30 0.00 1.25 0.00 0.00 42.46 41.20 2vak s ILE 318 CO 0.01 -0.37 1.66 0.78 0.24 0.00 0.00 174.94 177.26 2vak h ASN 319 N -0.72 0.15 0.64 4.36 2.35 -1.90 0.15 115.58 120.61 2vak h ASN 319 Ca -0.45 0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 2vak h ASN 319 Cb 1.25 0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.83 2vak h ASN 319 CO 0.51 -0.10 0.00 0.00 -1.65 0.00 0.00 177.43 176.19 2vak n GLN 320 N -5.15 0.18 -0.27 0.81 3.00 -1.26 -2.49 117.38 112.19 2vak n GLN 320 Ca 0.22 0.07 0.12 0.00 -0.01 0.00 0.00 57.00 57.40 2vak n GLN 320 Cb 0.69 -1.50 0.27 0.00 0.00 0.00 0.00 30.24 29.70 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 -1.39 2.40 -2.15 -1.58 0.00 0.53 -4.91 120.51 113.42 2vak n ALA 321 Ca 0.09 -1.13 -0.35 0.00 0.00 0.00 0.00 53.44 52.04 2vak n ALA 321 Cb 0.24 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.28 4.17 -0.88 0.00 -0.21 -1.04 -4.34 119.66 116.09 2vak s GLN 322 Ca 0.44 0.78 -0.04 0.00 0.02 0.00 0.00 55.36 56.56 2vak s GLN 322 Cb 0.24 -2.82 0.00 0.00 1.00 0.00 0.00 33.01 31.44 2vak s GLN 322 CO 0.33 0.37 0.76 0.09 -2.12 0.00 0.00 175.29 174.71 2vak n ASN 323 N 0.56 -3.94 -4.37 5.90 3.02 -1.26 -5.00 115.26 110.17 2vak n ASN 323 Ca -0.02 -0.38 -0.38 0.00 -0.03 0.00 0.00 54.58 53.77 2vak n ASN 323 Cb 0.51 -3.58 -0.12 0.00 -0.61 0.00 0.00 39.78 35.99 2vak n ASN 323 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2vak s ARG 324 N -5.55 3.07 -0.38 3.52 6.06 -1.21 -4.99 118.95 119.47 2vak s ARG 324 Ca 0.26 -0.89 -0.40 0.00 -2.50 0.00 0.00 55.73 52.20 2vak s ARG 324 Cb -0.11 -3.49 -0.15 0.00 0.06 0.00 0.00 34.95 31.25 2vak s ARG 324 CO 0.49 -0.50 1.97 -2.30 -2.50 0.00 0.00 175.30 172.46 2vak n PRO 325 N 4.92 0.75 0.00 5.12 -0.02 -1.26 -0.50 135.00 144.00 2vak n PRO 325 Ca -0.14 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2vak n PRO 325 Cb 0.48 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2vak n PRO 325 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vak n GLY 326 N 5.73 2.03 0.58 -1.23 0.00 -1.26 -4.87 105.19 106.17 2vak n GLY 326 Ca 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.36 2vak n GLY 326 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2vak n PHE 327 N -2.00 0.00 -4.28 1.61 7.35 0.34 -4.68 117.46 115.80 2vak n PHE 327 Ca 0.00 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.54 2vak n PHE 327 Cb 0.00 -0.25 -0.10 0.00 0.35 0.00 0.00 39.48 39.48 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 -5.95 1.73 -0.11 -2.13 1.04 -0.80 0.10 113.70 107.59 2vak s SER 328 Ca -0.14 -1.11 -0.30 0.00 0.48 0.00 0.00 55.95 54.88 2vak s SER 328 Cb 0.02 0.01 0.12 0.00 0.10 0.00 0.00 66.02 66.27 2vak s SER 328 CO 0.21 -0.43 0.94 0.00 0.98 0.00 0.00 173.24 174.95 2vak s MET 329 N -3.81 0.69 0.36 4.02 0.23 -0.15 -3.34 119.30 117.30 2vak s MET 329 Ca 0.22 0.03 -0.28 0.00 -1.03 0.00 0.00 55.69 54.62 2vak s MET 329 Cb 0.04 0.33 -0.11 0.00 -1.53 0.00 0.00 34.83 33.55 2vak s MET 329 CO 0.04 -0.25 1.51 -1.71 -2.03 0.00 0.00 175.02 172.59 2vak n ASN 330 N 0.47 3.83 0.00 -1.18 2.85 -1.26 -0.40 115.26 119.57 2vak n ASN 330 Ca -0.10 1.21 0.00 0.00 -0.11 0.00 0.00 54.58 55.58 2vak n ASN 330 Cb 0.59 -1.62 0.00 0.00 1.24 0.00 0.00 39.78 39.99 2vak n ASN 330 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2vak n GLY 331 N 0.75 0.98 0.00 8.20 0.00 -1.26 -4.92 105.19 108.94 2vak n GLY 331 Ca 0.02 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 -2.43 3.64 -0.02 0.00 -1.26 -4.14 105.19 100.97 2vak n GLY 332 Ca 0.00 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 2vak n GLY 332 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2vak n THR 333 N -1.68 0.61 -1.95 2.61 -1.04 -0.45 -4.05 114.28 108.33 2vak n THR 333 Ca 0.00 -0.26 -0.39 0.00 -2.04 0.00 0.00 64.05 61.36 2vak n THR 333 Cb 0.00 -2.39 0.01 0.00 -1.82 0.00 0.00 70.33 66.13 2vak n THR 333 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2vak s PRO 334 N 5.17 3.69 -0.44 -2.82 0.04 -1.26 -0.45 135.00 138.93 2vak s PRO 334 Ca 0.94 2.20 -0.19 0.00 0.04 0.00 0.00 61.00 63.99 2vak s PRO 334 Cb -0.41 -2.58 0.03 0.00 0.04 0.00 0.00 34.50 31.57 2vak s PRO 334 CO 0.40 -0.74 0.56 0.08 0.04 0.00 0.00 177.00 177.34 2vak s VAL 335 N -1.28 4.93 0.48 -0.36 1.01 -1.26 -4.33 120.40 119.59 2vak s VAL 335 Ca 0.62 -0.11 -0.19 0.00 0.00 0.00 0.00 61.98 62.30 2vak s VAL 335 Cb -0.39 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 31.75 2vak s VAL 335 CO 0.49 -0.54 0.98 -1.00 0.00 0.00 0.00 175.10 175.03 2vak s HIS 336 N 2.54 3.31 0.01 5.22 3.76 0.52 -4.90 115.29 125.75 2vak s HIS 336 Ca 0.18 1.54 0.06 0.00 -0.15 0.00 0.00 55.06 56.69 2vak s HIS 336 Cb -0.16 -2.86 -0.02 0.00 1.11 0.00 0.00 32.58 30.66 2vak s HIS 336 CO 0.16 -0.37 -0.18 -1.83 -0.85 0.00 0.00 174.74 171.68 2vak s GLU 337 N -3.62 1.35 -0.19 1.40 -1.05 -1.26 0.25 118.70 115.59 2vak s GLU 337 Ca 0.61 -0.72 0.01 0.00 -0.15 0.00 0.00 54.97 54.73 2vak s GLU 337 Cb -0.11 -1.35 0.02 0.00 -0.44 0.00 0.00 34.13 32.25 2vak s GLU 337 CO 0.23 0.36 -0.19 -0.51 0.95 0.00 0.00 175.26 176.10 2vak s LEU 338 N -0.68 2.22 -0.26 1.83 1.43 -0.05 -3.83 118.68 119.34 2vak s LEU 338 Ca 0.06 -0.68 -0.29 0.00 -1.03 0.00 0.00 54.13 52.19 2vak s LEU 338 Cb -0.07 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 2vak s LEU 338 CO 0.00 -0.01 1.45 0.21 0.23 0.00 0.00 176.35 178.23 2vak s ASN 339 N 1.29 6.54 0.53 2.29 3.84 -1.26 -0.19 114.94 127.97 2vak s ASN 339 Ca 0.04 1.42 0.31 0.00 0.21 0.00 0.00 52.86 54.84 2vak s ASN 339 Cb -0.13 -2.54 1.43 0.00 -0.55 0.00 0.00 41.25 39.46 2vak s ASN 339 CO -0.12 -1.16 2.02 -0.07 -2.79 0.00 0.00 177.10 174.98 2vak h LEU 340 N 11.24 0.00 0.12 3.21 3.38 -1.95 -0.54 115.31 130.76 2vak h LEU 340 Ca -0.30 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.45 2vak h LEU 340 Cb 1.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.88 2vak h LEU 340 CO 1.02 0.09 -1.07 0.25 0.09 0.00 0.00 178.44 178.82 2vak h LEU 341 N 0.00 0.40 -0.49 1.67 5.85 -1.96 -2.97 115.31 117.82 2vak h LEU 341 Ca -0.00 -0.90 0.09 0.00 0.84 0.00 0.00 57.88 57.91 2vak h LEU 341 Cb 0.45 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 2vak h LEU 341 CO 0.01 1.49 0.05 0.74 -0.34 0.00 0.00 178.44 180.39 2vak h THR 342 N -0.38 0.68 -0.44 1.05 2.02 -1.91 -0.51 112.91 113.42 2vak h THR 342 Ca -0.22 -0.06 0.13 0.00 0.77 0.00 0.00 66.41 67.03 2vak h THR 342 Cb 1.67 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 2vak h THR 342 CO 0.10 0.03 0.33 0.74 0.37 0.00 0.00 175.52 177.09 2vak h THR 343 N 0.18 0.71 0.00 3.16 2.02 -1.22 0.13 112.91 117.90 2vak h THR 343 Ca 0.24 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.40 2vak h THR 343 Cb 0.35 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2vak h THR 343 CO -0.36 0.00 -0.09 0.00 0.37 0.00 0.00 175.52 175.44 2vak h ALA 344 N 1.75 0.01 -0.79 6.16 0.00 -1.07 -0.85 119.26 124.46 2vak h ALA 344 Ca 0.21 -0.44 0.09 0.00 0.00 0.00 0.00 54.91 54.77 2vak h ALA 344 Cb 0.88 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 2vak h ALA 344 CO -0.00 -0.02 0.51 1.96 0.00 0.00 0.00 179.25 181.70 2vak h GLN 345 N -0.73 0.70 0.13 0.00 4.20 -0.77 -1.15 115.11 117.49 2vak h GLN 345 Ca -0.01 -0.04 -0.29 0.00 0.06 0.00 0.00 58.65 58.36 2vak h GLN 345 Cb 0.91 -0.16 0.02 0.00 0.30 0.00 0.00 27.48 28.55 2vak h GLN 345 CO 0.02 0.47 -1.25 0.93 -0.67 0.00 0.00 178.83 178.32 2vak h GLU 346 N 0.72 0.52 -0.40 1.46 4.39 -1.02 -2.74 114.58 117.51 2vak h GLU 346 Ca 0.36 -0.73 -0.10 0.00 0.34 0.00 0.00 59.36 59.23 2vak h GLU 346 Cb 0.44 0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2vak h GLU 346 CO -0.14 1.33 -0.14 0.00 -1.16 0.00 0.00 179.01 178.90 2vak h ILE 348 N 0.60 0.99 -0.77 0.00 2.04 -1.35 -2.59 117.51 116.44 2vak h ILE 348 Ca 0.10 -0.12 0.15 0.00 1.00 0.00 0.00 64.86 65.98 2vak h ILE 348 Cb 0.67 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 2vak h ILE 348 CO 0.05 0.06 0.51 -0.09 0.00 0.00 0.00 178.15 178.68 2vak h ARG 349 N 0.35 0.44 0.00 2.37 2.43 -1.28 0.24 114.38 118.93 2vak h ARG 349 Ca 0.14 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2vak h ARG 349 Cb 0.05 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2vak h ARG 349 CO -0.09 0.29 0.00 1.96 -1.51 0.00 0.00 179.97 180.62 2vak h GLN 350 N 0.45 0.00 0.08 0.20 1.08 -0.89 -2.12 115.11 113.91 2vak h GLN 350 Ca 0.38 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 57.30 2vak h GLN 350 Cb 0.82 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.23 2vak h GLN 350 CO -0.13 0.00 -1.41 -1.49 -0.95 0.00 0.00 178.83 174.85 2vak h TRP 351 N 0.00 0.29 0.23 2.96 6.55 -0.28 -2.71 115.95 122.99 2vak h TRP 351 Ca 0.00 -0.21 -0.01 0.00 0.95 0.00 0.00 58.89 59.62 2vak h TRP 351 Cb 0.58 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.87 2vak h TRP 351 CO 0.00 1.23 -0.11 0.28 -1.05 0.00 0.00 178.44 178.79 2vak h VAL 352 N 0.04 0.73 -0.98 1.49 2.07 -1.36 0.45 116.25 118.70 2vak h VAL 352 Ca -0.19 -0.90 0.21 0.00 0.82 0.00 0.00 66.70 66.65 2vak h VAL 352 Cb 1.96 1.16 -0.09 0.00 -1.52 0.00 0.00 31.29 32.80 2vak h VAL 352 CO 0.15 0.17 0.62 0.24 0.02 0.00 0.00 177.57 178.76 2vak h MET 353 N -0.85 0.54 -0.23 1.57 2.86 -1.54 0.53 114.93 117.81 2vak h MET 353 Ca -0.03 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.48 2vak h MET 353 Cb 0.51 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 2vak h MET 353 CO 0.05 0.36 -0.23 0.00 1.06 0.00 0.00 176.91 178.15 2vak h ALA 354 N 1.63 0.34 0.00 6.32 0.00 -1.52 -3.48 119.26 122.55 2vak h ALA 354 Ca 0.55 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2vak h ALA 354 Cb 1.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2vak h ALA 354 CO -0.29 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2vak n GLY 355 N 0.18 1.11 0.15 0.00 0.00 0.18 -5.00 105.19 101.81 2vak n GLY 355 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -8.09 0.99 4.07 -0.39 -3.45 115.31 108.45 2vak h LEU 356 Ca 0.00 -0.02 -0.21 0.00 0.08 0.00 0.00 57.88 57.73 2vak h LEU 356 Cb 0.00 0.00 -0.20 0.00 1.08 0.00 0.00 40.66 41.54 2vak h LEU 356 CO 0.00 0.01 -0.71 0.68 -1.08 0.00 0.00 178.44 177.34 2vak s VAL 357 N -3.19 0.30 0.55 1.22 -7.23 -1.02 -5.00 120.40 106.03 2vak s VAL 357 Ca 0.07 -1.08 -0.18 0.00 -1.81 0.00 0.00 61.98 58.98 2vak s VAL 357 Cb 0.09 -0.54 -0.10 0.00 0.56 0.00 0.00 36.38 36.39 2vak s VAL 357 CO 0.66 -0.51 0.43 -1.20 -0.31 0.00 0.00 175.10 174.17 2vak n SER 358 N 1.37 -1.42 0.33 4.85 7.64 -1.26 -4.41 113.62 120.72 2vak n SER 358 Ca -0.22 0.74 0.22 0.00 1.01 0.00 0.00 58.87 60.61 2vak n SER 358 Cb 0.56 -1.12 1.11 0.00 -1.01 0.00 0.00 64.21 63.75 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 0.26 1.01 0.00 -0.43 0.00 -1.97 -1.81 119.26 116.31 2vak h ALA 359 Ca -0.44 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 2vak h ALA 359 Cb 1.41 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 2vak h ALA 359 CO 0.47 0.00 -2.07 0.00 0.00 0.00 0.00 179.25 177.65 2vak n ALA 360 N -2.09 2.08 0.17 0.00 0.00 -1.26 -3.52 120.51 115.88 2vak n ALA 360 Ca -0.02 -0.85 0.01 0.00 0.00 0.00 0.00 53.44 52.57 2vak n ALA 360 Cb 0.12 -0.37 0.29 0.00 0.00 0.00 0.00 19.45 19.49 2vak n ALA 360 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2vak h LYS 361 N 0.00 0.01 0.00 0.00 3.64 -1.87 -1.74 116.57 116.61 2vak h LYS 361 Ca -0.27 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 2vak h LYS 361 Cb 1.55 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.37 2vak h LYS 361 CO 0.01 0.46 -0.05 0.78 -2.27 0.00 0.00 179.45 178.39 2vak h GLY 362 N 1.36 0.00 1.07 5.01 0.00 -1.46 0.58 103.07 109.64 2vak h GLY 362 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 2vak h GLY 362 CO 0.06 0.00 -1.65 1.46 0.00 0.00 0.00 176.54 176.41 2vak h GLN 363 N 0.00 0.08 -0.63 4.80 1.08 -1.56 -2.86 115.11 116.02 2vak h GLN 363 Ca -0.00 -0.13 -0.04 0.00 -1.45 0.00 0.00 58.65 57.02 2vak h GLN 363 Cb 0.74 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.19 2vak h GLN 363 CO 0.01 0.75 0.22 0.00 -0.95 0.00 0.00 178.83 178.86 2vak h ALA 364 N 0.78 0.83 -0.15 3.87 0.00 -1.24 -2.33 119.26 121.02 2vak h ALA 364 Ca -0.27 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2vak h ALA 364 Cb 1.99 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 2vak h ALA 364 CO 0.10 0.47 0.09 -0.07 0.00 0.00 0.00 179.25 179.84 2vak h LEU 365 N 0.90 0.18 -2.39 0.00 3.38 -0.95 -1.07 115.31 115.36 2vak h LEU 365 Ca 0.21 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2vak h LEU 365 Cb 0.25 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2vak h LEU 365 CO -0.01 0.20 -0.02 0.74 0.09 0.00 0.00 178.44 179.43 2vak h THR 366 N 0.16 0.16 0.01 0.22 2.02 -1.53 -1.52 112.91 112.43 2vak h THR 366 Ca 0.05 -0.22 -0.13 0.00 0.77 0.00 0.00 66.41 66.88 2vak h THR 366 Cb 0.05 1.18 0.01 0.00 -1.74 0.00 0.00 68.15 67.65 2vak h THR 366 CO -0.01 0.02 -0.53 -0.61 0.37 0.00 0.00 175.52 174.76 2vak h GLN 367 N 0.00 0.35 0.00 6.66 5.75 -0.66 -1.37 115.11 125.84 2vak h GLN 367 Ca -0.00 -0.38 -0.12 0.00 -0.15 0.00 0.00 58.65 58.00 2vak h GLN 367 Cb 0.18 0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 2vak h GLN 367 CO 0.00 1.07 -0.55 0.93 -2.65 0.00 0.00 178.83 177.63 2vak h GLU 368 N -0.22 0.00 0.28 1.69 5.08 -1.01 -1.66 114.58 118.74 2vak h GLU 368 Ca -0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2vak h GLU 368 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2vak h GLU 368 CO 0.10 0.55 -0.14 0.00 -1.00 0.00 0.00 179.01 178.53 2vak h ALA 369 N 1.45 -0.38 -0.55 3.43 0.00 -1.33 -1.63 119.26 120.26 2vak h ALA 369 Ca -0.01 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.79 2vak h ALA 369 Cb 0.99 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2vak h ALA 369 CO 0.07 -0.45 0.37 -0.91 0.00 0.00 0.00 179.25 178.33 2vak h ASN 370 N -0.92 0.38 -0.10 0.00 2.35 -1.25 -1.69 115.58 114.36 2vak h ASN 370 Ca -0.04 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.53 2vak h ASN 370 Cb 0.51 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.81 2vak h ASN 370 CO 0.06 0.24 -0.65 0.44 -1.65 0.00 0.00 177.43 175.88 2vak h ASP 371 N 0.44 0.74 0.21 5.81 3.45 -1.33 -2.93 116.42 122.80 2vak h ASP 371 Ca 0.25 -0.66 -0.09 0.00 0.43 0.00 0.00 57.03 56.96 2vak h ASP 371 Cb 0.40 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.94 2vak h ASP 371 CO -0.07 1.28 -0.33 0.15 -1.57 0.00 0.00 179.24 178.71 2vak h PHE 372 N 0.26 0.21 0.00 4.55 3.57 -0.88 -2.86 116.94 121.79 2vak h PHE 372 Ca -0.05 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.28 2vak h PHE 372 Cb 1.29 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 2vak h PHE 372 CO 0.11 0.50 -0.58 1.03 -2.23 0.00 0.00 178.31 177.14 2vak h SER 373 N 0.16 0.00 0.01 0.41 0.87 -1.33 -2.24 113.55 111.43 2vak h SER 373 Ca 0.02 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.48 2vak h SER 373 Cb 0.67 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 2vak h SER 373 CO 0.05 0.58 -0.30 0.78 -0.53 0.00 0.00 176.83 177.40 2vak h ASN 374 N 0.00 0.44 -0.26 6.23 2.35 -1.32 -0.71 115.58 122.32 2vak h ASN 374 Ca -0.01 -0.16 -0.10 0.00 -0.55 0.00 0.00 56.30 55.49 2vak h ASN 374 Cb 1.15 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 39.40 2vak h ASN 374 CO 0.07 0.73 -0.22 0.25 -1.65 0.00 0.00 177.43 176.62 2vak h LEU 375 N 0.38 0.64 -0.07 1.61 6.46 -1.38 -2.55 115.31 120.39 2vak h LEU 375 Ca 0.05 -0.46 -0.22 0.00 -0.12 0.00 0.00 57.88 57.13 2vak h LEU 375 Cb 0.72 -0.18 0.01 0.00 -0.73 0.00 0.00 40.66 40.49 2vak h LEU 375 CO 0.06 0.96 -0.81 0.40 -0.62 0.00 0.00 178.44 178.42 2vak h ILE 376 N 0.32 1.31 -0.43 4.05 1.08 -1.37 -2.52 117.51 119.95 2vak h ILE 376 Ca 0.05 -2.06 0.05 0.00 -0.39 0.00 0.00 64.86 62.50 2vak h ILE 376 Cb 0.76 2.24 -0.05 0.00 -3.07 0.00 0.00 36.82 36.71 2vak h ILE 376 CO 0.06 0.64 0.17 -0.61 -0.69 0.00 0.00 178.15 177.71 2vak h GLN 377 N 0.34 0.33 -0.60 2.37 4.15 -1.20 -1.63 115.11 118.88 2vak h GLN 377 Ca -0.08 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.27 2vak h GLN 377 Cb 1.46 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 29.05 2vak h GLN 377 CO 0.16 0.22 0.19 0.00 -1.93 0.00 0.00 178.83 177.48 2vak h ALA 378 N 1.27 0.78 0.42 3.38 0.00 -1.36 -0.27 119.26 123.48 2vak h ALA 378 Ca 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2vak h ALA 378 Cb 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2vak h ALA 378 CO -0.19 0.45 -0.20 -0.44 0.00 0.00 0.00 179.25 178.87 2vak h ASP 379 N 0.85 -0.47 -0.94 0.00 3.32 -1.33 -2.56 116.42 115.28 2vak h ASP 379 Ca 0.19 -0.10 0.20 0.00 0.02 0.00 0.00 57.03 57.34 2vak h ASP 379 Cb 0.28 0.12 -0.08 0.00 0.22 0.00 0.00 39.33 39.88 2vak h ASP 379 CO -0.01 -0.06 0.61 -0.07 -1.72 0.00 0.00 179.24 177.99 2vak h LEU 380 N -1.00 0.53 -1.06 1.55 3.38 -1.33 -0.85 115.31 116.52 2vak h LEU 380 Ca -0.06 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2vak h LEU 380 Cb 0.55 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2vak h LEU 380 CO 0.09 0.21 0.15 1.23 0.09 0.00 0.00 178.44 180.21 2vak h GLY 381 N 0.53 0.88 0.93 0.83 0.00 -1.02 -0.09 103.07 105.13 2vak h GLY 381 Ca 0.50 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2vak h GLY 381 CO -0.24 0.46 -0.12 1.46 0.00 0.00 0.00 176.54 178.11 2vak h GLN 382 N 0.80 -0.32 -0.77 4.80 1.08 -0.76 -1.04 115.11 118.90 2vak h GLN 382 Ca 0.18 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.50 2vak h GLN 382 Cb 0.26 0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 27.69 2vak h GLN 382 CO -0.01 -0.15 0.41 0.82 -0.95 0.00 0.00 178.83 178.95 2vak h ILE 383 N -0.40 0.86 0.03 2.54 2.04 -1.12 0.17 117.51 121.63 2vak h ILE 383 Ca -0.03 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 2vak h ILE 383 Cb 0.31 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 2vak h ILE 383 CO 0.06 0.13 -0.01 0.50 0.00 0.00 0.00 178.15 178.82 2vak h LYS 384 N 0.69 -0.03 -0.45 2.37 3.64 -0.99 0.21 116.57 122.00 2vak h LYS 384 Ca 0.38 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2vak h LYS 384 Cb 0.39 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2vak h LYS 384 CO -0.27 0.09 0.28 0.00 -2.27 0.00 0.00 179.45 177.28 2vak h ALA 385 N 0.82 0.57 0.13 5.00 0.00 -0.83 0.19 119.26 125.14 2vak h ALA 385 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2vak h ALA 385 Cb 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2vak h ALA 385 CO 0.01 0.05 -0.06 1.96 0.00 0.00 0.00 179.25 181.20 2vak h GLN 386 N 0.59 -0.16 -0.81 0.00 4.20 -0.96 -2.70 115.11 115.26 2vak h GLN 386 Ca 0.16 0.01 0.12 0.00 0.06 0.00 0.00 58.65 59.00 2vak h GLN 386 Cb -0.02 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.71 2vak h GLN 386 CO -0.03 0.27 0.43 -0.44 -0.67 0.00 0.00 178.83 178.40 2vak h ASP 387 N -0.69 0.57 -0.27 1.46 5.19 -0.53 -0.17 116.42 121.98 2vak h ASP 387 Ca -0.02 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.45 2vak h ASP 387 Cb 0.51 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 2vak h ASP 387 CO 0.03 0.29 0.13 0.44 -3.12 0.00 0.00 179.24 177.01 2vak h ASP 388 N 0.68 0.35 -0.16 6.45 3.45 -0.63 -1.12 116.42 125.44 2vak h ASP 388 Ca 0.42 -0.12 -0.06 0.00 0.43 0.00 0.00 57.03 57.70 2vak h ASP 388 Cb 0.50 -0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 39.17 2vak h ASP 388 CO -0.30 0.38 -0.12 0.00 -1.57 0.00 0.00 179.24 177.63 2vak h ALA 389 N 0.99 0.23 -0.39 3.45 0.00 -1.13 -2.42 119.26 119.99 2vak h ALA 389 Ca 0.09 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2vak h ALA 389 Cb 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2vak h ALA 389 CO -0.01 0.08 -0.10 -0.07 0.00 0.00 0.00 179.25 179.15 2vak h LEU 390 N 0.01 0.66 -0.16 0.00 3.38 -1.06 -0.73 115.31 117.41 2vak h LEU 390 Ca 0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2vak h LEU 390 Cb 0.62 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2vak h LEU 390 CO 0.03 0.79 0.05 0.22 0.09 0.00 0.00 178.44 179.63 2vak h TYR 391 N 0.62 0.25 -0.10 1.13 5.03 -1.23 0.48 116.97 123.16 2vak h TYR 391 Ca 0.11 -0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.35 2vak h TYR 391 Cb 0.53 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.73 2vak h TYR 391 CO 0.02 0.34 -0.18 -0.97 -1.32 0.00 0.00 178.16 176.05 2vak h ASN 392 N 0.08 0.15 0.00 -2.11 -1.24 -1.12 -3.37 115.58 107.97 2vak h ASN 392 Ca 0.05 -0.03 -0.21 0.00 0.71 0.00 0.00 56.30 56.82 2vak h ASN 392 Cb 0.20 -0.04 -0.04 0.00 0.73 0.00 0.00 38.32 39.18 2vak h ASN 392 CO -0.00 0.34 -1.78 0.00 -1.29 0.00 0.00 177.43 174.70 2vak n GLN 393 N -4.25 1.66 -3.58 6.67 6.02 -0.31 -4.94 117.38 118.64 2vak n GLN 393 Ca -0.01 0.02 -0.41 0.00 -0.01 0.00 0.00 57.00 56.59 2vak n GLN 393 Cb 0.29 -1.29 -0.09 0.00 1.02 0.00 0.00 30.24 30.17 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 -2.28 2.56 0.30 -1.09 2.00 0.17 -5.06 119.66 116.27 2vak s GLN 394 Ca -0.09 -1.57 -0.30 0.00 -2.00 0.00 0.00 55.36 51.40 2vak s GLN 394 Cb 0.04 -3.84 -0.13 0.00 0.80 0.00 0.00 33.01 29.88 2vak s GLN 394 CO 0.42 -1.05 1.38 -2.30 -0.50 0.00 0.00 175.29 173.25 2vak n PRO 395 N 4.92 2.18 -0.71 1.67 -0.02 -1.26 -1.83 135.00 139.95 2vak n PRO 395 Ca -0.09 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2vak n PRO 395 Cb 0.42 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 2vak n PRO 395 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vak n GLY 396 N 1.49 0.79 3.73 -1.23 0.00 -1.26 -5.02 105.19 103.68 2vak n GLY 396 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.97 2.95 -0.28 1.61 5.04 -0.76 -4.58 117.35 118.36 2vak s TYR 397 Ca 0.00 0.67 -0.11 0.00 -2.44 0.00 0.00 57.07 55.19 2vak s TYR 397 Cb 0.00 -3.99 -0.05 0.00 0.35 0.00 0.00 41.96 38.27 2vak s TYR 397 CO 0.00 -3.53 0.19 0.00 -1.34 0.00 0.00 175.55 170.87 2vak s ALA 398 N 0.67 3.53 0.28 3.97 0.00 -1.26 -3.71 121.76 125.24 2vak s ALA 398 Ca 0.68 -1.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.24 2vak s ALA 398 Cb -0.46 -2.49 -0.10 0.00 0.00 0.00 0.00 23.12 20.08 2vak s ALA 398 CO 0.37 -0.57 1.23 1.03 0.00 0.00 0.00 175.76 177.82 2vak s ARG 399 N 1.76 4.47 0.02 0.00 0.52 -0.19 -4.95 118.95 120.58 2vak s ARG 399 Ca 0.07 2.02 0.15 0.00 -0.52 0.00 0.00 55.73 57.45 2vak s ARG 399 Cb -0.16 -3.14 -0.18 0.00 0.52 0.00 0.00 34.95 31.99 2vak s ARG 399 CO 0.11 -0.05 0.75 0.54 0.02 0.00 0.00 175.30 176.68 2vak n ARG 400 N 1.35 0.62 -4.23 3.54 1.74 -1.26 -4.89 116.66 113.54 2vak n ARG 400 Ca 0.01 0.26 -0.13 0.00 -0.77 0.00 0.00 57.85 57.22 2vak n ARG 400 Cb 0.43 -1.80 -0.10 0.00 -1.02 0.00 0.00 32.46 29.97 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 -2.78 0.22 0.33 0.55 -4.36 -1.26 -4.45 121.20 109.44 2vak s ILE 401 Ca -0.04 -1.99 -0.29 0.00 -0.26 0.00 0.00 60.65 58.08 2vak s ILE 401 Cb 0.08 -2.44 -0.11 0.00 1.25 0.00 0.00 42.46 41.24 2vak s ILE 401 CO 0.82 -0.11 1.55 -0.75 0.24 0.00 0.00 174.94 176.69 2vak s LYS 402 N -4.09 4.12 0.60 0.37 2.20 -1.26 -4.98 119.74 116.69 2vak s LYS 402 Ca 0.35 2.58 -0.20 0.00 -0.36 0.00 0.00 55.97 58.34 2vak s LYS 402 Cb 0.07 -3.00 -0.03 0.00 -1.51 0.00 0.00 37.83 33.36 2vak s LYS 402 CO 0.10 -0.59 1.27 -2.30 -0.36 0.00 0.00 175.35 173.47 2vak n PRO 403 N 1.51 1.32 -4.14 4.03 -0.02 -1.26 -5.03 135.00 131.40 2vak n PRO 403 Ca 0.05 0.50 -0.13 0.00 -2.02 0.00 0.00 63.50 61.90 2vak n PRO 403 Cb 0.38 -2.49 -0.07 0.00 -0.02 0.00 0.00 33.50 31.29 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 -1.36 1.05 0.13 6.00 -0.71 -1.26 -5.00 117.98 116.82 2vak s PHE 404 Ca 0.77 -1.25 0.09 0.00 -1.04 0.00 0.00 56.93 55.50 2vak s PHE 404 Cb -0.40 -0.31 -0.04 0.00 -1.21 0.00 0.00 43.02 41.05 2vak s PHE 404 CO 0.45 -0.86 -0.16 0.14 -1.34 0.00 0.00 175.22 173.45 2vak s VAL 405 N -3.80 2.92 0.48 -2.49 -7.23 -1.26 -5.03 120.40 103.99 2vak s VAL 405 Ca 0.34 -1.54 0.14 0.00 -1.81 0.00 0.00 61.98 59.11 2vak s VAL 405 Cb 0.03 -2.36 0.29 0.00 0.56 0.00 0.00 36.38 34.90 2vak s VAL 405 CO 0.15 0.06 2.09 0.78 -0.31 0.00 0.00 175.10 177.87 2vak h ASN 406 N 3.57 0.18 -0.82 4.85 2.35 -2.03 -2.13 115.58 121.54 2vak h ASN 406 Ca -0.49 -0.00 0.17 0.00 -0.55 0.00 0.00 56.30 55.42 2vak h ASN 406 Cb 1.18 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 39.45 2vak h ASN 406 CO 0.48 0.12 0.55 1.23 -1.65 0.00 0.00 177.43 178.16 2vak h GLY 407 N 0.21 0.83 0.87 2.83 0.00 -1.99 -2.43 103.07 103.38 2vak h GLY 407 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2vak h GLY 407 CO -0.02 0.04 0.39 1.22 0.00 0.00 0.00 176.54 178.18 2vak n ASP 408 N -4.50 0.19 0.11 0.19 8.00 -0.80 -0.53 116.55 119.21 2vak n ASP 408 Ca 0.16 0.42 0.02 0.00 0.71 0.00 0.00 54.79 56.10 2vak n ASP 408 Cb 0.57 -0.33 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 2vak n ASP 408 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 2vak h TRP 409 N 0.00 0.00 -4.20 1.24 4.06 -1.65 -3.25 115.95 112.14 2vak h TRP 409 Ca 0.00 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.42 2vak h TRP 409 Cb 0.78 0.00 0.20 0.00 -1.00 0.00 0.00 29.16 29.14 2vak h TRP 409 CO 0.00 0.50 0.21 0.25 -3.56 0.00 0.00 178.44 175.84 2vak n THR 410 N -3.11 0.53 -0.04 1.49 -2.24 0.31 -4.94 114.28 106.27 2vak n THR 410 Ca -0.01 -0.06 0.11 0.00 -2.27 0.00 0.00 64.05 61.81 2vak n THR 410 Cb 0.76 -1.03 0.51 0.00 -2.10 0.00 0.00 70.33 68.47 2vak n THR 410 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2vak h PRO 411 N -1.63 0.36 0.00 -0.78 0.11 -1.89 -3.46 132.00 124.71 2vak h PRO 411 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2vak h PRO 411 Cb 1.28 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2vak h PRO 411 CO 0.42 0.24 0.00 0.41 -0.21 0.00 0.00 178.00 178.86 2vak n GLY 412 N -1.52 1.49 1.59 -0.55 0.00 -1.26 -2.56 105.19 102.38 2vak n GLY 412 Ca 0.08 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 1.45 -0.12 1.61 2.81 -1.26 -4.50 117.12 131.11 2vak n MET 413 Ca 0.00 -0.94 -0.06 0.00 -1.81 0.00 0.00 57.70 54.89 2vak n MET 413 Cb 0.00 -1.37 0.02 0.00 -0.71 0.00 0.00 33.22 31.16 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 0.72 0.94 -0.21 2.03 2.02 -1.60 -2.57 112.91 114.25 2vak h THR 414 Ca 0.18 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 2vak h THR 414 Cb 1.19 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 2vak h THR 414 CO 0.41 0.07 0.12 0.00 0.37 0.00 0.00 175.52 176.49 2vak h ALA 415 N 1.22 0.27 -0.45 6.16 0.00 -1.87 0.57 119.26 125.16 2vak h ALA 415 Ca 0.17 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.12 2vak h ALA 415 Cb 0.11 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.72 2vak h ALA 415 CO -0.14 -0.22 -0.32 1.96 0.00 0.00 0.00 179.25 180.53 2vak h GLN 416 N 0.24 -0.22 -0.83 0.00 7.50 -1.89 0.25 115.11 120.17 2vak h GLN 416 Ca 0.07 0.01 0.01 0.00 0.50 0.00 0.00 58.65 59.25 2vak h GLN 416 Cb 0.04 0.05 -0.04 0.00 0.05 0.00 0.00 27.48 27.58 2vak h GLN 416 CO -0.01 -0.14 0.55 0.00 -1.50 0.00 0.00 178.83 177.72 2vak h ALA 417 N 0.83 1.05 -0.57 3.87 0.00 -0.95 0.84 119.26 124.34 2vak h ALA 417 Ca 0.19 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2vak h ALA 417 Cb 0.54 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2vak h ALA 417 CO -0.57 0.45 -0.06 -0.07 0.00 0.00 0.00 179.25 178.99 2vak h LEU 418 N 1.11 1.05 -0.18 0.00 3.38 -0.27 -1.06 115.31 119.34 2vak h LEU 418 Ca 0.31 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2vak h LEU 418 Cb -0.12 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.34 2vak h LEU 418 CO -0.07 1.13 0.10 0.00 0.09 0.00 0.00 178.44 179.69 2vak h ALA 419 N 0.97 0.23 -0.02 1.53 0.00 0.39 -0.90 119.26 121.46 2vak h ALA 419 Ca 0.16 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2vak h ALA 419 Cb 0.63 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2vak h ALA 419 CO 0.04 -0.24 -0.04 0.28 0.00 0.00 0.00 179.25 179.29 2vak h VAL 420 N 0.19 0.90 0.00 0.00 2.07 -0.81 -2.83 116.25 115.77 2vak h VAL 420 Ca 0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 2vak h VAL 420 Cb 0.06 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2vak h VAL 420 CO -0.01 0.00 -0.08 -0.07 0.02 0.00 0.00 177.57 177.43 2vak h LEU 421 N -0.06 0.00 -1.16 2.57 3.38 -1.05 -1.96 115.31 117.04 2vak h LEU 421 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2vak h LEU 421 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2vak h LEU 421 CO -0.05 0.08 0.16 0.00 0.09 0.00 0.00 178.44 178.72 2vak h ALA 422 N 1.92 1.33 0.00 1.53 0.00 -0.90 -2.78 119.26 120.36 2vak h ALA 422 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2vak h ALA 422 Cb 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2vak h ALA 422 CO 0.01 0.49 0.00 0.25 0.00 0.00 0.00 179.25 180.00 2vak n THR 423 N -4.31 0.19 0.69 0.00 -2.24 -0.74 -3.58 114.28 104.29 2vak n THR 423 Ca 0.04 0.05 0.03 0.00 -2.27 0.00 0.00 64.05 61.89 2vak n THR 423 Cb 0.19 -0.60 0.15 0.00 -2.10 0.00 0.00 70.33 67.97 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 -1.42 0.00 0.10 4.78 3.01 -1.05 -0.68 117.46 122.21 2vak n PHE 424 Ca 0.09 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.57 2vak n PHE 424 Cb 0.27 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.70 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 -0.73 0.00 1.70 4.37 5.66 -1.23 -4.88 114.28 119.16 2vak n THR 425 Ca 0.04 -0.23 0.14 0.00 -3.05 0.00 0.00 64.05 60.95 2vak n THR 425 Cb 0.02 0.63 0.81 0.00 -1.55 0.00 0.00 70.33 70.24 2vak n THR 425 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02