#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vak h GLU 6 N 0.00 0.00 0.00 -1.46 4.11 -2.05 -3.21 114.58 111.97 2vak h GLU 6 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2vak h GLU 6 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2vak h GLU 6 CO 0.00 0.00 -1.84 1.19 0.07 0.00 0.00 179.01 178.43 2vak n PHE 7 N -2.32 0.04 -3.77 2.06 3.72 -1.26 -4.91 117.46 111.02 2vak n PHE 7 Ca 0.03 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 2vak n PHE 7 Cb 0.32 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.40 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 1.28 -1.24 3.28 1.37 0.00 -1.22 -4.61 105.19 104.06 2vak n GLY 8 Ca -0.03 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 2vak n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vak s SER 9 N -4.00 5.87 -0.01 1.61 0.01 -1.26 -4.89 113.70 111.04 2vak s SER 9 Ca 0.00 -1.67 0.20 0.00 1.31 0.00 0.00 55.95 55.79 2vak s SER 9 Cb 0.00 -2.08 -0.24 0.00 0.21 0.00 0.00 66.02 63.91 2vak s SER 9 CO 0.00 -0.68 0.74 0.35 0.41 0.00 0.00 173.24 174.06 2vak n THR 10 N 5.04 0.00 -2.85 1.44 -2.24 -1.26 -4.87 114.28 109.54 2vak n THR 10 Ca -0.11 -0.14 -0.41 0.00 -2.27 0.00 0.00 64.05 61.12 2vak n THR 10 Cb 0.42 0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 69.37 2vak n THR 10 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2vak s MET 11 N -3.00 4.41 0.58 -0.78 -1.94 -1.26 -4.81 119.30 112.50 2vak s MET 11 Ca 0.04 1.15 -0.19 0.00 -1.71 0.00 0.00 55.69 54.98 2vak s MET 11 Cb 0.14 -3.51 -0.07 0.00 2.01 0.00 0.00 34.83 33.40 2vak s MET 11 CO 0.82 -0.17 0.77 0.00 -0.01 0.00 0.00 175.02 176.43 2vak n ALA 12 N 4.55 -0.43 -2.08 3.03 0.00 -1.26 -1.10 120.51 123.22 2vak n ALA 12 Ca 0.04 0.01 -0.41 0.00 0.00 0.00 0.00 53.44 53.08 2vak n ALA 12 Cb 0.50 -1.98 -0.03 0.00 0.00 0.00 0.00 19.45 17.94 2vak n ALA 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2vak s ARG 13 N -2.41 4.44 0.00 0.00 6.06 -1.01 -4.06 118.95 121.97 2vak s ARG 13 Ca 0.72 1.94 0.00 0.00 -2.50 0.00 0.00 55.73 55.89 2vak s ARG 13 Cb -0.44 -3.24 0.00 0.00 0.06 0.00 0.00 34.95 31.33 2vak s ARG 13 CO 0.51 -0.18 0.00 0.00 -2.50 0.00 0.00 175.30 173.13 2vak n ALA 14 N 2.78 1.33 -3.22 6.12 0.00 -1.26 -4.93 120.51 121.34 2vak n ALA 14 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.15 2vak n ALA 14 Cb 0.44 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.76 2vak n ALA 14 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2vak s ILE 15 N -1.13 3.70 -0.68 0.00 1.01 -1.26 -5.06 121.20 117.77 2vak s ILE 15 Ca 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 60.65 60.29 2vak s ILE 15 Cb 0.00 -2.67 0.17 0.00 0.01 0.00 0.00 42.46 39.97 2vak s ILE 15 CO 0.00 0.43 0.47 -0.31 0.00 0.00 0.00 174.94 175.53 2vak s TYR 16 N 1.09 3.53 -0.09 3.97 2.02 -1.26 -5.05 117.35 121.55 2vak s TYR 16 Ca 0.02 -3.29 -0.05 0.00 -0.37 0.00 0.00 57.07 53.37 2vak s TYR 16 Cb -0.15 -2.76 -0.04 0.00 -0.40 0.00 0.00 41.96 38.61 2vak s TYR 16 CO 0.01 -0.59 0.12 -0.51 -1.57 0.00 0.00 175.55 173.01 2vak s ASP 17 N -1.17 6.16 -0.10 2.29 1.01 -1.26 -0.83 116.67 122.76 2vak s ASP 17 Ca 0.24 0.37 0.04 0.00 0.71 0.00 0.00 52.55 53.91 2vak s ASP 17 Cb -0.08 -1.93 0.00 0.00 1.01 0.00 0.00 42.92 41.91 2vak s ASP 17 CO -0.13 0.37 -0.23 0.12 0.21 0.00 0.00 175.17 175.50 2vak s PHE 18 N -1.07 2.49 -0.17 4.23 5.36 0.32 -4.87 117.98 124.27 2vak s PHE 18 Ca 0.17 -1.02 -0.03 0.00 -0.96 0.00 0.00 56.93 55.10 2vak s PHE 18 Cb -0.12 -1.67 -0.02 0.00 -0.34 0.00 0.00 43.02 40.87 2vak s PHE 18 CO 0.07 -0.41 -0.07 0.12 -1.46 0.00 0.00 175.22 173.47 2vak s PHE 19 N 0.36 2.93 0.38 10.12 5.36 -1.26 0.18 117.98 136.06 2vak s PHE 19 Ca -0.19 -0.60 -0.14 0.00 -0.96 0.00 0.00 56.93 55.04 2vak s PHE 19 Cb -0.18 -1.97 -0.08 0.00 -0.34 0.00 0.00 43.02 40.45 2vak s PHE 19 CO 0.09 -0.25 0.80 -1.54 -1.46 0.00 0.00 175.22 172.86 2vak s SER 20 N 0.70 6.68 0.14 6.13 1.04 -0.60 -4.08 113.70 123.71 2vak s SER 20 Ca -0.03 1.30 -0.34 0.00 0.48 0.00 0.00 55.95 57.36 2vak s SER 20 Cb -0.15 -2.39 -0.14 0.00 0.10 0.00 0.00 66.02 63.45 2vak s SER 20 CO 0.02 -0.33 1.60 0.41 0.98 0.00 0.00 173.24 175.92 2vak n THR 21 N -0.86 0.04 -2.27 2.02 -1.04 -1.26 -3.07 114.28 107.84 2vak n THR 21 Ca 0.04 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.63 2vak n THR 21 Cb 0.54 -1.57 -0.03 0.00 -1.82 0.00 0.00 70.33 67.44 2vak n THR 21 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2vak s PRO 22 N 1.14 4.45 0.08 -2.82 0.02 -1.26 -2.70 135.00 133.91 2vak s PRO 22 Ca 0.80 2.01 -0.03 0.00 0.02 0.00 0.00 61.00 63.80 2vak s PRO 22 Cb -0.68 -3.17 -0.03 0.00 0.02 0.00 0.00 34.50 30.64 2vak s PRO 22 CO 0.39 -0.11 0.03 -0.59 -0.33 0.00 0.00 177.00 176.39 2vak s PHE 23 N -0.46 0.52 0.00 6.54 -0.71 -1.26 -4.89 117.98 117.71 2vak s PHE 23 Ca 0.52 -1.01 0.00 0.00 -1.04 0.00 0.00 56.93 55.40 2vak s PHE 23 Cb -0.36 -0.34 0.00 0.00 -1.21 0.00 0.00 43.02 41.11 2vak s PHE 23 CO 0.42 -0.45 0.00 0.41 -1.34 0.00 0.00 175.22 174.26 2vak n GLY 24 N 0.03 1.54 0.31 1.99 0.00 -1.26 -4.89 105.19 102.91 2vak n GLY 24 Ca -0.12 -1.66 0.07 0.00 0.00 0.00 0.00 46.02 44.31 2vak n GLY 24 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2vak n ASN 25 N 0.00 0.91 -0.93 1.61 0.23 -1.26 -3.17 115.26 112.64 2vak n ASN 25 Ca 0.00 -1.76 0.03 0.00 -0.53 0.00 0.00 54.58 52.32 2vak n ASN 25 Cb 0.00 -0.08 0.16 0.00 -2.08 0.00 0.00 39.78 37.77 2vak n ASN 25 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2vak n ARG 26 N -0.11 1.53 0.00 -3.83 5.12 -1.26 -5.12 116.66 112.98 2vak n ARG 26 Ca 0.11 -3.18 0.00 0.00 -1.93 0.00 0.00 57.85 52.85 2vak n ARG 26 Cb 0.18 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 2vak n ARG 26 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2vak n GLY 27 N -0.80 -2.27 3.71 -0.13 0.00 -1.19 -4.84 105.19 99.67 2vak n GLY 27 Ca 0.19 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 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 4.38 -0.63 0.99 2.96 -1.26 -4.27 118.68 120.84 2vak s LEU 28 Ca 0.00 2.78 -0.07 0.00 -0.22 0.00 0.00 54.13 56.62 2vak s LEU 28 Cb 0.00 -3.59 -0.18 0.00 0.50 0.00 0.00 46.19 42.92 2vak s LEU 28 CO 0.00 -0.96 3.33 0.00 -1.32 0.00 0.00 176.35 177.40 2vak n ALA 29 N 4.53 6.83 -2.26 5.97 0.00 -1.26 -4.80 120.51 129.51 2vak n ALA 29 Ca 0.16 -2.55 -0.17 0.00 0.00 0.00 0.00 53.44 50.88 2vak n ALA 29 Cb 0.37 -2.70 -0.09 0.00 0.00 0.00 0.00 19.45 17.03 2vak n ALA 29 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2vak s THR 30 N 1.22 0.03 0.29 0.00 -1.32 -1.25 -1.54 115.64 113.06 2vak s THR 30 Ca 0.67 -2.00 -0.12 0.00 -1.21 0.00 0.00 61.69 59.03 2vak s THR 30 Cb 0.27 -2.50 0.01 0.00 -1.51 0.00 0.00 72.50 68.77 2vak s THR 30 CO -0.03 0.00 0.55 0.54 -2.21 0.00 0.00 174.62 173.47 2vak s ASN 31 N -3.31 0.09 0.52 8.08 2.20 -1.26 -4.66 114.94 116.60 2vak s ASN 31 Ca 0.40 -1.02 0.22 0.00 -0.94 0.00 0.00 52.86 51.51 2vak s ASN 31 Cb 0.04 0.66 1.41 0.00 -2.00 0.00 0.00 41.25 41.35 2vak s ASN 31 CO 0.22 -1.28 2.13 -0.09 -2.94 0.00 0.00 177.10 175.14 2vak h ARG 32 N 2.16 0.00 0.25 3.55 2.43 -1.94 -0.93 114.38 119.91 2vak h ARG 32 Ca -0.26 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 2vak h ARG 32 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2vak h ARG 32 CO 0.35 0.07 -0.12 1.15 -1.51 0.00 0.00 179.97 179.90 2vak h THR 33 N 0.00 0.70 -0.59 0.20 2.02 -1.96 -2.55 112.91 110.73 2vak h THR 33 Ca -0.00 -0.84 -0.05 0.00 0.77 0.00 0.00 66.41 66.29 2vak h THR 33 Cb 0.14 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 2vak h THR 33 CO 0.01 0.15 0.16 -0.61 0.37 0.00 0.00 175.52 175.60 2vak h GLN 34 N -0.85 0.90 -0.55 6.66 4.15 -1.89 -2.61 115.11 120.93 2vak h GLN 34 Ca -0.03 -0.18 -0.03 0.00 0.77 0.00 0.00 58.65 59.17 2vak h GLN 34 Cb 0.51 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.04 2vak h GLN 34 CO 0.06 0.80 0.22 -0.07 -1.93 0.00 0.00 178.83 177.90 2vak h LEU 35 N 0.87 0.72 -1.25 -2.39 3.38 -1.25 -2.88 115.31 112.50 2vak h LEU 35 Ca 0.19 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2vak h LEU 35 Cb 0.29 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2vak h LEU 35 CO -0.00 0.65 0.00 0.28 0.09 0.00 0.00 178.44 179.46 2vak h SER 36 N 0.79 0.00 0.23 -0.43 0.02 -1.06 -3.10 113.55 110.01 2vak h SER 36 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2vak h SER 36 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2vak h SER 36 CO -0.02 0.00 -0.11 -1.54 -1.14 0.00 0.00 176.83 174.02 2vak n SER 37 N -3.05 0.73 0.00 3.07 3.41 -1.09 -3.24 113.62 113.46 2vak n SER 37 Ca 0.01 -0.85 0.08 0.00 -0.26 0.00 0.00 58.87 57.86 2vak n SER 37 Cb 0.33 -0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 64.14 2vak n SER 37 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2vak n LEU 38 N -0.69 0.19 -4.75 1.04 4.77 -1.17 -4.95 117.00 111.43 2vak n LEU 38 Ca 0.16 0.07 -0.40 0.00 -0.03 0.00 0.00 56.01 55.81 2vak n LEU 38 Cb 0.29 0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.37 2vak n LEU 38 CO 0.22 0.03 0.69 -0.76 -1.33 0.00 0.00 177.39 176.24 2vak s LEU 39 N -4.83 4.60 1.07 2.23 1.43 -1.20 -4.87 118.68 117.11 2vak s LEU 39 Ca -0.07 2.04 -0.14 0.00 -1.03 0.00 0.00 54.13 54.94 2vak s LEU 39 Cb 0.12 -3.64 0.22 0.00 0.03 0.00 0.00 46.19 42.92 2vak s LEU 39 CO 0.88 0.05 1.09 -0.94 0.23 0.00 0.00 176.35 177.66 2vak s SER 40 N -1.11 2.03 0.27 2.29 1.04 -0.98 -4.80 113.70 112.45 2vak s SER 40 Ca 0.43 1.06 -0.08 0.00 0.48 0.00 0.00 55.95 57.84 2vak s SER 40 Cb -0.27 -1.64 0.44 0.00 0.10 0.00 0.00 66.02 64.65 2vak s SER 40 CO 0.34 -3.48 1.49 -1.20 0.98 0.00 0.00 173.24 171.37 2vak n SER 41 N -4.39 -0.34 -0.17 7.02 7.64 -1.26 -0.23 113.62 121.88 2vak n SER 41 Ca 0.07 1.64 0.10 0.00 1.01 0.00 0.00 58.87 61.69 2vak n SER 41 Cb 0.58 -0.50 0.52 0.00 -1.01 0.00 0.00 64.21 63.80 2vak n SER 41 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2vak n SER 42 N -5.56 0.53 0.00 6.43 3.41 -1.26 -4.89 113.62 112.27 2vak n SER 42 Ca 0.15 -1.48 0.00 0.00 -0.26 0.00 0.00 58.87 57.28 2vak n SER 42 Cb 0.48 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2vak n SER 42 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2vak n ASN 43 N -0.45 -1.20 -4.67 4.04 5.03 0.68 -4.77 115.26 113.91 2vak n ASN 43 Ca 0.15 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.22 2vak n ASN 43 Cb 0.15 -0.36 -0.07 0.00 -1.02 0.00 0.00 39.78 38.48 2vak n ASN 43 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2vak s SER 44 N -2.73 6.52 0.18 6.41 0.15 -1.25 0.13 113.70 123.11 2vak s SER 44 Ca 0.00 0.62 0.26 0.00 0.70 0.00 0.00 55.95 57.53 2vak s SER 44 Cb 0.00 -2.27 0.75 0.00 -1.71 0.00 0.00 66.02 62.80 2vak s SER 44 CO 0.00 -0.12 1.70 -2.65 1.20 0.00 0.00 173.24 173.37 2vak n PRO 45 N 4.53 0.24 -0.01 5.44 -0.02 -1.26 -2.31 135.00 141.61 2vak n PRO 45 Ca -0.06 0.17 -0.02 0.00 -2.02 0.00 0.00 63.50 61.57 2vak n PRO 45 Cb 0.51 -1.76 -0.12 0.00 -0.02 0.00 0.00 33.50 32.11 2vak n PRO 45 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2vak n TRP 46 N -2.17 0.58 -3.09 6.00 7.02 -1.26 -5.01 117.44 119.51 2vak n TRP 46 Ca 0.05 0.20 -0.44 0.00 -1.02 0.00 0.00 57.50 56.29 2vak n TRP 46 Cb 0.42 -0.99 0.00 0.00 -2.42 0.00 0.00 31.31 28.33 2vak n TRP 46 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 2vak n GLN 47 N -2.77 3.68 0.00 -0.99 0.00 -1.26 -5.10 117.38 110.94 2vak n GLN 47 Ca -0.16 -4.24 0.00 0.00 -0.00 0.00 0.00 57.00 52.60 2vak n GLN 47 Cb 0.90 -2.70 0.00 0.00 0.00 0.00 0.00 30.24 28.44 2vak n GLN 47 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 2vak n ILE 61 N 2.96 0.00 0.04 1.69 5.41 -1.26 -5.01 119.36 123.19 2vak n ILE 61 Ca 0.29 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.04 2vak n ILE 61 Cb 0.39 -0.05 0.00 0.00 -0.71 0.00 0.00 39.64 39.27 2vak n ILE 61 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 2vak n VAL 62 N 0.05 0.80 -0.50 1.39 3.14 -1.26 -4.88 118.33 117.07 2vak n VAL 62 Ca 0.00 -0.15 -0.28 0.00 -2.96 0.00 0.00 64.34 60.95 2vak n VAL 62 Cb 0.00 -1.05 0.26 0.00 -1.06 0.00 0.00 33.84 31.99 2vak n VAL 62 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2vak s SER 63 N 1.61 0.70 0.04 6.55 0.01 -1.26 -5.06 113.70 116.27 2vak s SER 63 Ca 0.00 1.49 -0.01 0.00 1.31 0.00 0.00 55.95 58.75 2vak s SER 63 Cb 0.00 -2.31 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 2vak s SER 63 CO 0.00 -4.37 -0.03 0.28 0.41 0.00 0.00 173.24 169.53 2vak s THR 64 N -2.42 0.17 0.31 1.44 -1.32 -0.87 -4.99 115.64 107.96 2vak s THR 64 Ca 0.69 -1.37 -0.01 0.00 -1.21 0.00 0.00 61.69 59.80 2vak s THR 64 Cb -0.26 -0.90 0.27 0.00 -1.51 0.00 0.00 72.50 70.10 2vak s THR 64 CO 0.65 -0.75 1.97 -0.65 -2.21 0.00 0.00 174.62 173.63 2vak h PRO 65 N 3.88 1.02 0.00 7.08 0.11 -1.97 -1.81 132.00 140.32 2vak h PRO 65 Ca -0.33 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2vak h PRO 65 Cb 1.17 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2vak h PRO 65 CO 0.54 0.67 0.00 1.05 -0.21 0.00 0.00 178.00 180.05 2vak h GLU 66 N 1.05 0.00 -2.34 1.05 9.09 -1.99 -3.34 114.58 118.10 2vak h GLU 66 Ca 0.30 0.00 -0.59 0.00 0.05 0.00 0.00 59.36 59.13 2vak h GLU 66 Cb -0.07 0.00 -0.39 0.00 -1.65 0.00 0.00 28.75 26.65 2vak h GLU 66 CO -0.07 0.00 -0.95 0.00 0.05 0.00 0.00 179.01 178.03 2vak n ALA 67 N -2.09 2.87 1.18 1.06 0.00 -1.10 -4.69 120.51 117.74 2vak n ALA 67 Ca 0.02 -3.40 0.12 0.00 0.00 0.00 0.00 53.44 50.18 2vak n ALA 67 Cb 0.38 -0.80 0.62 0.00 0.00 0.00 0.00 19.45 19.65 2vak n ALA 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2vak n PRO 68 N 2.32 0.39 -3.94 0.00 -0.04 -0.70 -2.05 135.00 130.97 2vak n PRO 68 Ca 0.27 0.05 -0.10 0.00 -0.04 0.00 0.00 63.50 63.69 2vak n PRO 68 Cb 0.48 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 2vak n PRO 68 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2vak s TYR 69 N -2.51 0.20 0.18 0.54 1.51 -1.26 -4.68 117.35 111.33 2vak s TYR 69 Ca 0.24 -0.44 -0.16 0.00 -1.01 0.00 0.00 57.07 55.71 2vak s TYR 69 Cb 0.16 -0.15 0.14 0.00 -0.11 0.00 0.00 41.96 42.00 2vak s TYR 69 CO 0.36 -0.27 1.66 -1.35 -1.11 0.00 0.00 175.55 174.84 2vak h PRO 70 N 4.21 0.02 -0.98 -1.71 0.11 -1.79 0.72 132.00 132.60 2vak h PRO 70 Ca -0.32 -0.00 0.28 0.00 0.11 0.00 0.00 66.00 66.07 2vak h PRO 70 Cb 1.19 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 2vak h PRO 70 CO 0.45 0.02 1.04 0.78 -0.21 0.00 0.00 178.00 180.07 2vak h GLY 71 N 0.02 0.00 1.00 -0.55 0.00 -1.10 -2.79 103.07 99.66 2vak h GLY 71 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 2vak h GLY 71 CO -0.45 0.00 0.15 1.76 0.00 0.00 0.00 176.54 178.00 2vak h SER 72 N 0.00 0.26 0.56 0.19 0.02 -1.05 -3.05 113.55 110.49 2vak h SER 72 Ca 0.46 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.33 2vak h SER 72 Cb 2.54 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 65.01 2vak h SER 72 CO -0.00 0.19 -0.33 -0.07 -1.14 0.00 0.00 176.83 175.47 2vak h LEU 73 N 0.30 0.00 -0.12 5.07 3.38 -1.63 -1.12 115.31 121.19 2vak h LEU 73 Ca 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2vak h LEU 73 Cb -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2vak h LEU 73 CO -0.02 0.33 -0.09 -0.03 0.09 0.00 0.00 178.44 178.73 2vak h MET 74 N 0.00 0.27 -0.11 1.13 4.05 -1.70 -1.59 114.93 116.98 2vak h MET 74 Ca -0.00 -0.13 -0.01 0.00 -0.28 0.00 0.00 59.70 59.27 2vak h MET 74 Cb 0.71 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.50 2vak h MET 74 CO 0.04 0.65 0.02 -0.92 0.23 0.00 0.00 176.91 176.94 2vak h TYR 75 N -0.11 0.19 -0.54 1.39 3.20 -1.39 -1.94 116.97 117.77 2vak h TYR 75 Ca 0.02 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2vak h TYR 75 Cb 0.59 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 2vak h TYR 75 CO 0.08 0.36 0.19 1.96 -1.64 0.00 0.00 178.16 179.11 2vak h GLN 76 N -0.04 0.81 -0.23 1.82 4.20 -1.28 -2.30 115.11 118.09 2vak h GLN 76 Ca 0.03 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.53 2vak h GLN 76 Cb 0.27 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2vak h GLN 76 CO 0.00 0.73 -0.11 0.93 -0.67 0.00 0.00 178.83 179.71 2vak h GLU 77 N 0.73 0.37 -0.92 1.46 5.08 -1.29 0.30 114.58 120.32 2vak h GLU 77 Ca 0.18 -0.09 0.10 0.00 -1.00 0.00 0.00 59.36 58.55 2vak h GLU 77 Cb 0.23 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.37 2vak h GLU 77 CO -0.01 0.49 0.59 0.66 -1.00 0.00 0.00 179.01 179.74 2vak h SER 78 N 0.35 0.82 0.34 1.42 4.64 -0.90 -0.75 113.55 119.48 2vak h SER 78 Ca 0.07 0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 61.24 2vak h SER 78 Cb 0.41 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2vak h SER 78 CO 0.02 0.47 -0.74 0.24 -0.87 0.00 0.00 176.83 175.95 2vak h MET 79 N 0.90 0.33 -0.35 4.77 2.86 -0.69 -1.39 114.93 121.37 2vak h MET 79 Ca 0.43 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 2vak h MET 79 Cb 0.43 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 2vak h MET 79 CO -0.19 0.93 0.17 1.25 1.06 0.00 0.00 176.91 180.13 2vak h LEU 80 N 0.22 0.45 -0.68 1.22 5.85 -0.47 -1.73 115.31 120.18 2vak h LEU 80 Ca -0.03 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 2vak h LEU 80 Cb 1.32 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 2vak h LEU 80 CO 0.12 0.45 0.35 0.45 -0.34 0.00 0.00 178.44 179.47 2vak h HIS 81 N 0.42 0.95 0.00 1.25 3.86 -1.10 -2.31 115.15 118.22 2vak h HIS 81 Ca 0.12 -0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.21 2vak h HIS 81 Cb 0.11 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 2vak h HIS 81 CO -0.02 0.69 -0.40 0.77 0.86 0.00 0.00 177.93 179.83 2vak h SER 82 N 0.93 0.00 0.44 2.45 0.02 -1.12 -2.29 113.55 113.98 2vak h SER 82 Ca 0.24 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.88 2vak h SER 82 Cb 0.08 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.64 2vak h SER 82 CO -0.03 0.40 -1.38 0.00 -1.14 0.00 0.00 176.83 174.68 2vak h ALA 83 N 1.60 -0.03 0.00 3.77 0.00 -1.17 -3.41 119.26 120.01 2vak h ALA 83 Ca -0.00 -0.88 -0.12 0.00 0.00 0.00 0.00 54.91 53.91 2vak h ALA 83 Cb 0.88 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2vak h ALA 83 CO 0.05 0.84 -1.75 0.25 0.00 0.00 0.00 179.25 178.64 2vak n THR 84 N -3.62 0.44 -0.10 0.00 -2.24 -0.88 -4.68 114.28 103.20 2vak n THR 84 Ca -0.13 -0.43 -0.20 0.00 -2.27 0.00 0.00 64.05 61.02 2vak n THR 84 Cb 1.07 -0.24 -0.10 0.00 -2.10 0.00 0.00 70.33 68.95 2vak n THR 84 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2vak n VAL 85 N -2.23 1.52 0.24 2.28 0.31 -0.87 -4.34 118.33 115.24 2vak n VAL 85 Ca -0.12 -0.02 0.07 0.00 -0.01 0.00 0.00 64.34 64.27 2vak n VAL 85 Cb 0.64 -2.08 0.59 0.00 -0.91 0.00 0.00 33.84 32.08 2vak n VAL 85 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2vak h PRO 86 N -1.00 0.00 0.00 5.55 0.11 -1.80 -2.66 132.00 132.20 2vak h PRO 86 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2vak h PRO 86 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2vak h PRO 86 CO -0.20 0.12 0.00 0.41 -0.21 0.00 0.00 178.00 178.12 2vak n GLY 87 N -1.14 -1.62 1.04 -0.55 0.00 -1.26 -3.09 105.19 98.56 2vak n GLY 87 Ca -0.03 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.11 0.22 0.38 1.61 3.14 -1.00 -4.60 118.33 115.97 2vak n VAL 88 Ca 0.05 -0.61 0.12 0.00 -2.96 0.00 0.00 64.34 60.95 2vak n VAL 88 Cb 0.39 1.27 0.25 0.00 -1.06 0.00 0.00 33.84 34.70 2vak n VAL 88 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2vak h LEU 89 N 4.58 0.00 -1.97 6.55 3.38 -1.61 -3.33 115.31 122.91 2vak h LEU 89 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2vak h LEU 89 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2vak h LEU 89 CO 0.00 0.00 0.04 1.23 0.09 0.00 0.00 178.44 179.80 2vak h GLY 90 N 4.21 0.00 -2.91 0.83 0.00 -1.82 -3.35 103.07 100.03 2vak h GLY 90 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 47.33 47.64 2vak h GLY 90 CO 0.00 0.00 0.82 -0.45 0.00 0.00 0.00 176.54 176.91 2vak s SER 91 N -4.39 -0.07 0.51 0.19 0.15 -1.25 -4.98 113.70 103.85 2vak s SER 91 Ca -0.03 -0.12 0.28 0.00 0.70 0.00 0.00 55.95 56.77 2vak s SER 91 Cb 0.09 0.17 1.37 0.00 -1.71 0.00 0.00 66.02 65.93 2vak s SER 91 CO 0.27 -0.30 2.03 0.03 1.20 0.00 0.00 173.24 176.46 2vak h ARG 92 N 2.00 0.00 -0.10 5.44 3.08 -1.90 -3.12 114.38 119.78 2vak h ARG 92 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2vak h ARG 92 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2vak h ARG 92 CO 0.28 0.13 0.00 -0.25 -1.07 0.00 0.00 179.97 179.06 2vak n ASP 93 N -3.54 2.79 -0.04 7.04 8.00 -1.26 -4.61 116.55 124.93 2vak n ASP 93 Ca -0.01 -2.84 -0.06 0.00 0.71 0.00 0.00 54.79 52.59 2vak n ASP 93 Cb 0.28 -0.39 0.13 0.00 -0.02 0.00 0.00 41.12 41.12 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 0.67 0.96 0.00 2.24 0.00 -1.82 -3.03 119.26 118.27 2vak h ALA 94 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2vak h ALA 94 Cb 1.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2vak h ALA 94 CO 0.06 0.60 0.00 0.11 0.00 0.00 0.00 179.25 180.03 2vak h TRP 95 N 0.55 0.00 0.64 0.00 5.08 -1.81 -2.53 115.95 117.87 2vak h TRP 95 Ca 0.08 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.01 2vak h TRP 95 Cb 0.73 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.89 2vak h TRP 95 CO 0.03 0.00 -0.31 0.00 -1.28 0.00 0.00 178.44 176.89 2vak h ARG 96 N 0.00 -0.82 -0.18 0.12 3.08 -1.88 -3.26 114.38 111.44 2vak h ARG 96 Ca 0.00 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2vak h ARG 96 Cb 0.12 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2vak h ARG 96 CO 0.00 -0.55 0.00 0.25 -1.07 0.00 0.00 179.97 178.60 2vak n THR 97 N -4.87 0.23 -2.16 2.04 -2.24 -1.24 -4.97 114.28 101.07 2vak n THR 97 Ca -0.11 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 60.83 2vak n THR 97 Cb 0.34 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 69.11 2vak n THR 97 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2vak s PHE 98 N -1.77 3.22 -0.03 4.78 5.36 -0.95 -3.83 117.98 124.76 2vak s PHE 98 Ca 0.34 0.94 -0.05 0.00 -0.96 0.00 0.00 56.93 57.20 2vak s PHE 98 Cb 0.19 -3.69 0.01 0.00 -0.34 0.00 0.00 43.02 39.19 2vak s PHE 98 CO 0.28 -2.42 0.12 0.54 -1.46 0.00 0.00 175.22 172.28 2vak s ASN 99 N 1.14 -0.06 -0.15 6.13 2.20 -1.26 -4.43 114.94 118.51 2vak s ASN 99 Ca 0.65 0.06 -0.10 0.00 -0.94 0.00 0.00 52.86 52.53 2vak s ASN 99 Cb -0.37 0.23 0.05 0.00 -2.00 0.00 0.00 41.25 39.16 2vak s ASN 99 CO 0.30 -0.16 0.37 0.54 -2.94 0.00 0.00 177.10 175.22 2vak s VAL 100 N -0.47 -0.02 -1.32 3.54 0.11 -0.28 0.20 120.40 122.16 2vak s VAL 100 Ca -0.06 0.07 -0.12 0.00 -2.93 0.00 0.00 61.98 58.95 2vak s VAL 100 Cb -0.04 -0.55 0.10 0.00 -1.53 0.00 0.00 36.38 34.36 2vak s VAL 100 CO 0.00 0.03 0.52 0.49 -3.33 0.00 0.00 175.10 172.81 2vak n PHE 101 N 3.77 -1.75 -1.90 1.54 3.72 -1.26 -0.22 117.46 121.36 2vak n PHE 101 Ca -0.20 0.51 -0.14 0.00 -0.05 0.00 0.00 57.45 57.58 2vak n PHE 101 Cb 0.56 -2.74 -0.03 0.00 -0.94 0.00 0.00 39.48 36.33 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 -1.16 0.49 3.43 1.37 0.00 -1.26 -4.26 105.19 103.80 2vak n GLY 102 Ca 0.01 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 2vak n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vak s LEU 103 N -3.63 2.49 0.07 0.99 1.43 0.70 -1.18 118.68 119.55 2vak s LEU 103 Ca 0.00 -0.93 -0.11 0.00 -1.03 0.00 0.00 54.13 52.06 2vak s LEU 103 Cb 0.00 -1.09 0.01 0.00 0.03 0.00 0.00 46.19 45.14 2vak s LEU 103 CO 0.00 0.06 0.23 -0.44 0.23 0.00 0.00 176.35 176.44 2vak s SER 104 N -3.00 0.01 0.24 2.29 0.01 0.77 -1.13 113.70 112.89 2vak s SER 104 Ca 0.24 -0.44 -0.18 0.00 1.31 0.00 0.00 55.95 56.88 2vak s SER 104 Cb -0.06 0.34 -0.08 0.00 0.21 0.00 0.00 66.02 66.42 2vak s SER 104 CO 0.11 -0.67 0.71 0.26 0.41 0.00 0.00 173.24 174.07 2vak s TRP 105 N -3.20 3.58 0.02 2.43 0.52 -1.26 -0.36 118.94 120.67 2vak s TRP 105 Ca -0.00 1.31 -0.21 0.00 0.02 0.00 0.00 56.10 57.22 2vak s TRP 105 Cb 0.02 -2.57 -0.18 0.00 -1.15 0.00 0.00 33.47 29.59 2vak s TRP 105 CO -0.07 0.29 1.23 1.79 0.02 0.00 0.00 176.95 180.20 2vak h THR 106 N 2.55 1.40 -3.81 2.01 1.35 -1.64 -3.47 112.91 111.30 2vak h THR 106 Ca -0.48 -1.61 -0.30 0.00 -0.55 0.00 0.00 66.41 63.47 2vak h THR 106 Cb 1.19 2.19 -0.08 0.00 -1.73 0.00 0.00 68.15 69.72 2vak h THR 106 CO 0.65 0.47 -0.29 -0.90 -0.25 0.00 0.00 175.52 175.20 2vak n ASP 107 N -4.45 -0.46 0.16 5.36 5.68 -1.26 -5.03 116.55 116.54 2vak n ASP 107 Ca -0.08 -2.39 0.04 0.00 -0.50 0.00 0.00 54.79 51.87 2vak n ASP 107 Cb 0.47 1.08 0.11 0.00 -1.14 0.00 0.00 41.12 41.64 2vak n ASP 107 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2vak h GLU 108 N 0.00 0.00 -0.01 0.11 4.81 -1.93 -3.01 114.58 114.55 2vak h GLU 108 Ca -0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2vak h GLU 108 Cb 0.76 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.14 2vak h GLU 108 CO 0.22 0.41 0.00 0.41 -0.73 0.00 0.00 179.01 179.32 2vak n GLY 109 N 1.03 -0.94 3.86 1.92 0.00 -1.26 -4.92 105.19 104.88 2vak n GLY 109 Ca 0.02 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.50 -2.58 -0.00 0.99 4.77 -1.14 -4.91 117.00 113.62 2vak n LEU 110 Ca 0.03 -0.92 -0.18 0.00 -0.03 0.00 0.00 56.01 54.91 2vak n LEU 110 Cb 0.02 -2.41 -0.09 0.00 -2.33 0.00 0.00 43.42 38.60 2vak n LEU 110 CO 0.02 0.42 0.25 0.28 -1.33 0.00 0.00 177.39 177.03 2vak h SER 111 N -1.85 0.73 -5.23 -1.43 0.02 -1.91 -3.47 113.55 100.40 2vak h SER 111 Ca -0.62 -0.69 -0.11 0.00 -0.84 0.00 0.00 61.79 59.53 2vak h SER 111 Cb 1.37 -0.22 -0.14 0.00 0.14 0.00 0.00 62.40 63.55 2vak h SER 111 CO 0.61 1.31 -0.49 -0.83 -1.14 0.00 0.00 176.83 176.30 2vak s GLY 112 N -4.08 0.38 -0.08 -3.77 0.00 -1.26 -4.50 107.32 94.01 2vak s GLY 112 Ca -0.12 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.67 2vak s GLY 112 CO 0.86 -1.03 -0.12 1.08 0.00 0.00 0.00 173.10 173.89 2vak s LEU 113 N -2.92 2.86 0.24 0.66 1.43 0.35 -1.57 118.68 119.73 2vak s LEU 113 Ca 0.10 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2vak s LEU 113 Cb 0.06 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 2vak s LEU 113 CO -0.07 0.30 0.16 0.68 0.23 0.00 0.00 176.35 177.65 2vak s VAL 114 N -0.43 0.06 0.43 -1.59 -7.23 0.51 -4.55 120.40 107.60 2vak s VAL 114 Ca 0.06 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 57.97 2vak s VAL 114 Cb -0.12 -2.51 -0.08 0.00 0.56 0.00 0.00 36.38 34.23 2vak s VAL 114 CO 0.02 0.00 1.31 0.00 -0.31 0.00 0.00 175.10 176.12 2vak s ALA 115 N -3.93 3.19 0.76 1.32 0.00 -1.26 -0.17 121.76 121.67 2vak s ALA 115 Ca 0.39 1.25 -0.04 0.00 0.00 0.00 0.00 51.96 53.56 2vak s ALA 115 Cb 0.06 -3.50 0.09 0.00 0.00 0.00 0.00 23.12 19.76 2vak s ALA 115 CO 0.16 -0.91 0.54 0.00 0.00 0.00 0.00 175.76 175.55 2vak n ALA 116 N -0.09 -0.29 -1.91 0.00 0.00 -0.33 -4.53 120.51 113.36 2vak n ALA 116 Ca 0.05 -0.86 -0.28 0.00 0.00 0.00 0.00 53.44 52.35 2vak n ALA 116 Cb 0.44 0.06 0.08 0.00 0.00 0.00 0.00 19.45 20.03 2vak n ALA 116 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2vak s GLN 117 N -3.98 2.05 -0.30 0.00 -1.52 -1.26 -4.98 119.66 109.67 2vak s GLN 117 Ca 0.33 -0.06 0.01 0.00 -1.95 0.00 0.00 55.36 53.69 2vak s GLN 117 Cb -0.01 -2.05 0.19 0.00 -0.22 0.00 0.00 33.01 30.92 2vak s GLN 117 CO 0.22 -1.45 0.64 0.16 -0.25 0.00 0.00 175.29 174.61 2vak s ASP 118 N -4.56 -1.42 0.36 5.90 1.47 -1.26 -2.54 116.67 114.62 2vak s ASP 118 Ca 0.61 0.51 -0.28 0.00 1.18 0.00 0.00 52.55 54.57 2vak s ASP 118 Cb -0.11 2.04 -0.11 0.00 -0.34 0.00 0.00 42.92 44.40 2vak s ASP 118 CO 0.47 -0.26 1.49 -0.81 0.68 0.00 0.00 175.17 176.74 2vak n PRO 119 N 5.41 2.63 -0.68 2.11 -0.04 -1.26 -5.14 135.00 138.04 2vak n PRO 119 Ca 0.02 0.92 -0.32 0.00 -0.04 0.00 0.00 63.50 64.09 2vak n PRO 119 Cb 0.53 -2.65 0.17 0.00 -0.04 0.00 0.00 33.50 31.51 2vak n PRO 119 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2vak n PRO 120 N 0.82 -1.10 -0.11 0.54 -0.04 -1.05 -4.94 135.00 129.12 2vak n PRO 120 Ca 0.03 -0.28 -0.09 0.00 -0.04 0.00 0.00 63.50 63.12 2vak n PRO 120 Cb 0.38 -1.98 -0.01 0.00 -0.04 0.00 0.00 33.50 31.85 2vak n PRO 120 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2vak h PRO 121 N -1.98 0.47 -5.16 0.54 0.11 -1.85 -3.45 132.00 120.67 2vak h PRO 121 Ca -0.50 -0.05 -0.55 0.00 0.11 0.00 0.00 66.00 65.01 2vak h PRO 121 Cb 1.31 -0.09 -0.13 0.00 0.11 0.00 0.00 31.00 32.19 2vak h PRO 121 CO 0.39 0.39 -0.55 0.00 -0.21 0.00 0.00 178.00 178.02 2vak s ALA 122 N -5.88 2.94 0.28 -0.75 0.00 -1.25 -5.08 121.76 112.02 2vak s ALA 122 Ca -0.13 -1.44 -0.30 0.00 0.00 0.00 0.00 51.96 50.09 2vak s ALA 122 Cb 0.10 0.57 -0.13 0.00 0.00 0.00 0.00 23.12 23.66 2vak s ALA 122 CO 0.72 -0.26 1.41 0.00 0.00 0.00 0.00 175.76 177.63 2vak n ALA 123 N -0.89 1.45 -1.68 0.00 0.00 -1.26 -4.86 120.51 113.27 2vak n ALA 123 Ca -0.07 0.39 -0.39 0.00 0.00 0.00 0.00 53.44 53.37 2vak n ALA 123 Cb 0.66 -2.31 0.04 0.00 0.00 0.00 0.00 19.45 17.84 2vak n ALA 123 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2vak n PRO 124 N 1.57 1.43 -2.01 0.00 -0.02 -1.26 -4.74 135.00 129.98 2vak n PRO 124 Ca 0.09 0.53 -0.39 0.00 -2.02 0.00 0.00 63.50 61.70 2vak n PRO 124 Cb 0.34 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2vak n PRO 124 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2vak s TYR 125 N -1.34 2.72 -0.38 6.00 5.04 0.13 -5.00 117.35 124.52 2vak s TYR 125 Ca 0.70 1.39 -0.05 0.00 -2.44 0.00 0.00 57.07 56.67 2vak s TYR 125 Cb -0.45 -3.69 0.08 0.00 0.35 0.00 0.00 41.96 38.25 2vak s TYR 125 CO 0.51 -2.24 0.18 -0.65 -1.34 0.00 0.00 175.55 172.01 2vak s GLN 126 N -2.37 2.36 0.89 4.97 -1.52 -1.26 -4.77 119.66 117.96 2vak s GLN 126 Ca 0.59 -1.52 -0.12 0.00 -1.95 0.00 0.00 55.36 52.36 2vak s GLN 126 Cb -0.38 -3.57 0.08 0.00 -0.22 0.00 0.00 33.01 28.92 2vak s GLN 126 CO 0.49 -0.91 0.83 -2.30 -0.25 0.00 0.00 175.29 173.15 2vak n PRO 127 N 4.74 -0.19 -4.90 2.91 -0.02 -1.26 -5.01 135.00 131.26 2vak n PRO 127 Ca -0.08 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.10 2vak n PRO 127 Cb 0.43 -2.15 -0.15 0.00 -0.02 0.00 0.00 33.50 31.61 2vak n PRO 127 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vak s ALA 128 N -2.37 2.29 -0.06 3.55 0.00 -1.26 -4.92 121.76 118.99 2vak s ALA 128 Ca 0.64 -1.25 -0.28 0.00 0.00 0.00 0.00 51.96 51.08 2vak s ALA 128 Cb -0.25 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 2vak s ALA 128 CO 0.60 0.54 0.89 0.45 0.00 0.00 0.00 175.76 178.24 2vak s SER 129 N -1.23 7.19 -1.23 0.00 0.15 -1.26 -4.45 113.70 112.87 2vak s SER 129 Ca 0.12 1.45 -0.18 0.00 0.70 0.00 0.00 55.95 58.04 2vak s SER 129 Cb -0.10 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2vak s SER 129 CO 0.02 -0.28 0.66 0.00 1.20 0.00 0.00 173.24 174.84 2vak n ALA 130 N 4.26 -2.42 -2.43 5.45 0.00 -1.10 -4.90 120.51 119.37 2vak n ALA 130 Ca 0.04 -0.32 -0.27 0.00 0.00 0.00 0.00 53.44 52.89 2vak n ALA 130 Cb 0.50 -3.09 -0.15 0.00 0.00 0.00 0.00 19.45 16.71 2vak n ALA 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2vak s GLN 131 N -6.45 1.58 0.11 0.00 2.00 -1.26 -4.84 119.66 110.80 2vak s GLN 131 Ca 0.35 -0.92 -0.22 0.00 -2.00 0.00 0.00 55.36 52.58 2vak s GLN 131 Cb -0.14 -1.65 -0.07 0.00 0.80 0.00 0.00 33.01 31.95 2vak s GLN 131 CO 0.89 0.43 0.65 -1.58 -0.50 0.00 0.00 175.29 175.19 2vak s TRP 132 N -0.70 3.84 0.04 1.67 0.52 -1.26 -1.56 118.94 121.49 2vak s TRP 132 Ca 0.08 1.42 0.07 0.00 0.02 0.00 0.00 56.10 57.69 2vak s TRP 132 Cb -0.09 -2.61 -0.02 0.00 -1.15 0.00 0.00 33.47 29.60 2vak s TRP 132 CO 0.01 0.55 -0.20 -1.12 0.02 0.00 0.00 176.95 176.21 2vak s SER 133 N -1.08 2.37 -0.29 2.95 0.01 0.13 -4.96 113.70 112.82 2vak s SER 133 Ca 0.32 -0.50 -0.13 0.00 1.31 0.00 0.00 55.95 56.94 2vak s SER 133 Cb -0.21 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.79 2vak s SER 133 CO 0.22 0.15 0.30 -0.62 0.41 0.00 0.00 173.24 173.69 2vak s ASP 134 N -1.13 6.14 0.21 2.44 -1.08 -1.26 -0.52 116.67 121.47 2vak s ASP 134 Ca 0.07 0.04 0.25 0.00 -0.52 0.00 0.00 52.55 52.38 2vak s ASP 134 Cb -0.09 -2.17 0.58 0.00 -1.46 0.00 0.00 42.92 39.78 2vak s ASP 134 CO 0.02 -0.17 1.58 -0.07 0.52 0.00 0.00 175.17 177.05 2vak h LEU 135 N 8.54 0.00 0.00 -1.34 3.38 -1.36 -2.74 115.31 121.79 2vak h LEU 135 Ca -0.32 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2vak h LEU 135 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2vak h LEU 135 CO 0.62 0.03 0.00 0.18 0.09 0.00 0.00 178.44 179.36 2vak n LEU 136 N -2.33 0.00 0.29 1.67 4.77 -1.26 -2.37 117.00 117.77 2vak n LEU 136 Ca 0.04 0.37 0.16 0.00 -0.03 0.00 0.00 56.01 56.56 2vak n LEU 136 Cb 0.45 -0.37 0.87 0.00 -2.33 0.00 0.00 43.42 42.04 2vak n LEU 136 CO 0.33 -0.14 1.05 0.78 -1.33 0.00 0.00 177.39 178.08 2vak h ASN 137 N 0.00 0.00 -3.52 -1.43 2.35 -1.83 -3.40 115.58 107.76 2vak h ASN 137 Ca 0.00 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.16 2vak h ASN 137 Cb 0.23 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.51 2vak h ASN 137 CO 0.00 0.06 0.64 -0.47 -1.65 0.00 0.00 177.43 176.01 2vak s TYR 138 N -4.15 3.04 0.35 1.19 5.04 -1.00 -4.82 117.35 117.00 2vak s TYR 138 Ca -0.03 0.75 0.07 0.00 -2.44 0.00 0.00 57.07 55.43 2vak s TYR 138 Cb 0.13 -3.75 0.76 0.00 0.35 0.00 0.00 41.96 39.44 2vak s TYR 138 CO 0.53 -0.89 1.89 -1.35 -1.34 0.00 0.00 175.55 174.38 2vak h PRO 139 N 8.58 0.73 -0.37 4.97 0.11 -1.84 0.22 132.00 144.41 2vak h PRO 139 Ca -0.23 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 2vak h PRO 139 Cb 1.08 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 2vak h PRO 139 CO 1.00 0.48 0.01 -0.09 -0.21 0.00 0.00 178.00 179.20 2vak h ARG 140 N 0.75 0.57 0.05 1.05 2.43 -1.92 -1.87 114.38 115.43 2vak h ARG 140 Ca 0.42 -0.12 -0.25 0.00 -0.81 0.00 0.00 59.98 59.22 2vak h ARG 140 Cb 0.58 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2vak h ARG 140 CO -0.19 0.58 -1.24 -1.49 -1.51 0.00 0.00 179.97 176.12 2vak h TRP 141 N 0.54 0.19 -0.24 2.20 6.55 -0.87 0.19 115.95 124.52 2vak h TRP 141 Ca 0.12 -0.14 0.04 0.00 0.95 0.00 0.00 58.89 59.86 2vak h TRP 141 Cb 0.33 -0.01 -0.04 0.00 -0.86 0.00 0.00 29.16 28.58 2vak h TRP 141 CO 0.01 1.13 -0.01 0.00 -1.05 0.00 0.00 178.44 178.53 2vak h ALA 142 N 0.81 0.20 0.05 1.49 0.00 -1.05 -3.10 119.26 117.66 2vak h ALA 142 Ca -0.12 0.07 -0.26 0.00 0.00 0.00 0.00 54.91 54.60 2vak h ALA 142 Cb 1.89 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 2vak h ALA 142 CO 0.15 -0.43 -1.32 -0.91 0.00 0.00 0.00 179.25 176.74 2vak h ASN 143 N 0.07 0.15 -2.80 0.00 2.35 -1.33 -3.39 115.58 110.63 2vak h ASN 143 Ca 0.11 -0.20 -0.65 0.00 -0.55 0.00 0.00 56.30 55.02 2vak h ASN 143 Cb 0.15 -0.05 -0.40 0.00 0.05 0.00 0.00 38.32 38.07 2vak h ASN 143 CO -0.20 1.16 -0.37 0.54 -1.65 0.00 0.00 177.43 176.92 2vak n ARG 144 N -3.33 2.47 0.03 0.81 1.74 0.68 -4.94 116.66 114.12 2vak n ARG 144 Ca -0.09 -4.56 -0.00 0.00 -0.77 0.00 0.00 57.85 52.42 2vak n ARG 144 Cb 1.00 -2.32 0.30 0.00 -1.02 0.00 0.00 32.46 30.42 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 5.08 0.44 -0.81 5.56 2.43 -1.75 -2.56 114.38 122.77 2vak h ARG 145 Ca 0.17 -0.11 0.10 0.00 -0.81 0.00 0.00 59.98 59.33 2vak h ARG 145 Cb 0.72 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.16 2vak h ARG 145 CO 0.84 0.54 0.53 0.00 -1.51 0.00 0.00 179.97 180.37 2vak h ARG 146 N 0.42 0.72 -0.43 0.20 3.08 -1.92 -0.86 114.38 115.59 2vak h ARG 146 Ca 0.08 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.13 2vak h ARG 146 Cb 0.41 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 2vak h ARG 146 CO 0.02 0.47 0.20 0.93 -1.07 0.00 0.00 179.97 180.53 2vak h GLU 147 N 0.74 0.40 -0.47 0.04 5.08 -1.83 -2.69 114.58 115.84 2vak h GLU 147 Ca 0.38 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.61 2vak h GLU 147 Cb 0.47 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2vak h GLU 147 CO -0.15 0.26 -0.11 1.25 -1.00 0.00 0.00 179.01 179.27 2vak h LEU 148 N 0.41 0.91 -1.44 1.33 5.85 -1.38 -3.18 115.31 117.82 2vak h LEU 148 Ca 0.18 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 2vak h LEU 148 Cb 0.10 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2vak h LEU 148 CO -0.14 1.06 -0.06 1.56 -0.34 0.00 0.00 178.44 180.52 2vak h GLN 149 N 0.76 0.30 -0.03 1.25 4.20 -1.11 0.38 115.11 120.86 2vak h GLN 149 Ca 0.12 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.62 2vak h GLN 149 Cb 0.65 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2vak h GLN 149 CO 0.05 0.38 -0.67 0.66 -0.67 0.00 0.00 178.83 178.57 2vak h SER 150 N 0.29 0.16 1.10 1.46 4.64 -1.50 -3.26 113.55 116.44 2vak h SER 150 Ca 0.06 -0.10 -0.11 0.00 -0.47 0.00 0.00 61.79 61.18 2vak h SER 150 Cb 0.29 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 2vak h SER 150 CO 0.01 0.78 -0.95 0.11 -0.87 0.00 0.00 176.83 175.92 2vak h LYS 151 N 0.09 0.00 -0.45 4.77 1.57 -1.38 -3.40 116.57 117.77 2vak h LYS 151 Ca -0.01 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2vak h LYS 151 Cb 1.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 2vak h LYS 151 CO 0.10 0.28 0.09 -0.92 -0.57 0.00 0.00 179.45 178.43 2vak h TYR 152 N 0.00 0.69 -0.39 -1.35 3.20 -0.99 -2.79 116.97 115.34 2vak h TYR 152 Ca -0.07 -0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.78 2vak h TYR 152 Cb 1.37 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.42 2vak h TYR 152 CO 0.00 0.60 0.26 -1.35 -1.64 0.00 0.00 178.16 176.04 2vak h PRO 153 N 0.66 0.35 -0.12 1.82 0.11 -1.78 0.49 132.00 133.53 2vak h PRO 153 Ca 0.15 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.14 2vak h PRO 153 Cb 0.27 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.30 2vak h PRO 153 CO -0.00 0.23 -0.28 -0.07 -0.21 0.00 0.00 178.00 177.67 2vak h LEU 154 N 0.36 0.46 -1.16 2.35 3.38 -1.81 -0.43 115.31 118.47 2vak h LEU 154 Ca 0.16 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2vak h LEU 154 Cb 0.20 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2vak h LEU 154 CO -0.04 0.95 0.52 -0.07 0.09 0.00 0.00 178.44 179.89 2vak h LEU 155 N -0.01 0.95 -0.13 1.67 3.38 -1.37 -1.50 115.31 118.31 2vak h LEU 155 Ca -0.00 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 2vak h LEU 155 Cb 0.89 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2vak h LEU 155 CO 0.06 0.71 -0.27 0.25 0.09 0.00 0.00 178.44 179.28 2vak h LEU 156 N 1.11 0.47 -0.66 1.67 5.85 -0.04 -1.54 115.31 122.18 2vak h LEU 156 Ca 0.30 -0.56 0.14 0.00 0.84 0.00 0.00 57.88 58.59 2vak h LEU 156 Cb -0.09 -0.14 -0.10 0.00 0.37 0.00 0.00 40.66 40.70 2vak h LEU 156 CO -0.06 0.94 0.09 -0.09 -0.34 0.00 0.00 178.44 178.99 2vak h ARG 157 N 0.01 0.20 -0.16 1.25 2.43 -0.87 0.32 114.38 117.56 2vak h ARG 157 Ca 0.00 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 2vak h ARG 157 Cb 0.87 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 2vak h ARG 157 CO 0.06 0.13 0.00 0.77 -1.51 0.00 0.00 179.97 179.43 2vak h SER 158 N 0.20 -0.05 -0.66 -3.80 0.02 -1.26 -2.17 113.55 105.82 2vak h SER 158 Ca 0.35 0.03 0.11 0.00 -0.84 0.00 0.00 61.79 61.45 2vak h SER 158 Cb 0.58 0.06 -0.08 0.00 0.14 0.00 0.00 62.40 63.10 2vak h SER 158 CO -0.49 -0.00 0.25 0.74 -1.14 0.00 0.00 176.83 176.19 2vak h THR 159 N 0.06 0.73 -0.05 -2.27 2.02 -0.56 -0.59 112.91 112.25 2vak h THR 159 Ca 0.08 -0.15 -0.18 0.00 0.77 0.00 0.00 66.41 66.93 2vak h THR 159 Cb 0.09 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 2vak h THR 159 CO -0.12 0.08 -0.74 -0.07 0.37 0.00 0.00 175.52 175.03 2vak h LEU 160 N 0.42 0.34 -0.21 2.58 3.38 -0.96 -0.39 115.31 120.47 2vak h LEU 160 Ca 0.34 -0.23 -0.17 0.00 0.09 0.00 0.00 57.88 57.91 2vak h LEU 160 Cb 0.46 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2vak h LEU 160 CO -0.34 0.97 -0.55 0.25 0.09 0.00 0.00 178.44 178.85 2vak h LEU 161 N 0.19 0.84 -0.92 1.67 5.85 -0.93 -2.29 115.31 119.72 2vak h LEU 161 Ca -0.03 -0.57 -0.07 0.00 0.84 0.00 0.00 57.88 58.05 2vak h LEU 161 Cb 1.31 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 2vak h LEU 161 CO 0.12 1.26 0.03 0.28 -0.34 0.00 0.00 178.44 179.79 2vak h SER 162 N 0.45 0.79 0.73 1.25 0.02 -1.06 -2.99 113.55 112.74 2vak h SER 162 Ca -0.01 -0.18 -0.11 0.00 -0.84 0.00 0.00 61.79 60.65 2vak h SER 162 Cb 1.16 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 2vak h SER 162 CO 0.12 0.84 -0.51 0.00 -1.14 0.00 0.00 176.83 176.13 2vak h ALA 163 N 1.25 0.98 -2.56 3.77 0.00 -1.09 -3.45 119.26 118.17 2vak h ALA 163 Ca 0.15 -0.47 -0.49 0.00 0.00 0.00 0.00 54.91 54.10 2vak h ALA 163 Cb 0.43 -0.08 0.05 0.00 0.00 0.00 0.00 17.79 18.19 2vak h ALA 163 CO 0.02 0.64 0.44 -1.64 0.00 0.00 0.00 179.25 178.70 2vak s MET 164 N -3.60 3.74 0.04 0.00 1.00 -0.86 0.17 119.30 119.78 2vak s MET 164 Ca -0.01 1.60 -0.03 0.00 0.00 0.00 0.00 55.69 57.25 2vak s MET 164 Cb 0.12 -2.27 -0.28 0.00 0.00 0.00 0.00 34.83 32.40 2vak s MET 164 CO 0.73 -0.53 1.01 -0.09 0.00 0.00 0.00 175.02 176.15 2vak h ARG 165 N 1.82 0.25 0.00 2.03 2.43 -1.85 -3.43 114.38 115.63 2vak h ARG 165 Ca -0.49 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.25 2vak h ARG 165 Cb 1.24 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 2vak h ARG 165 CO 0.59 1.15 0.00 0.00 -1.51 0.00 0.00 179.97 180.21 2vak n ALA 166 N -2.58 0.00 -1.96 2.80 0.00 -1.26 -4.97 120.51 112.53 2vak n ALA 166 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.05 2vak n ALA 166 Cb 1.03 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.64 2vak n ALA 166 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2vak s GLY 167 N 0.00 1.78 0.56 0.00 0.00 0.30 -5.02 107.32 104.94 2vak s GLY 167 Ca 0.00 -1.50 -0.21 0.00 0.00 0.00 0.00 44.72 43.01 2vak s GLY 167 CO 0.00 -0.80 1.29 -4.14 0.00 0.00 0.00 173.10 169.45 2vak s PRO 168 N -5.57 3.09 0.18 2.90 0.02 -1.26 -4.11 135.00 130.25 2vak s PRO 168 Ca 0.71 2.07 -0.12 0.00 0.02 0.00 0.00 61.00 63.68 2vak s PRO 168 Cb -0.04 -2.14 -0.07 0.00 0.02 0.00 0.00 34.50 32.27 2vak s PRO 168 CO 0.49 -1.18 0.54 0.54 -0.33 0.00 0.00 177.00 177.07 2vak s VAL 169 N -1.40 4.90 -0.05 3.83 0.11 -1.26 -2.70 120.40 123.82 2vak s VAL 169 Ca 0.74 0.67 0.01 0.00 -2.93 0.00 0.00 61.98 60.47 2vak s VAL 169 Cb -0.36 -3.68 -0.03 0.00 -1.53 0.00 0.00 36.38 30.77 2vak s VAL 169 CO 0.42 0.11 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.49 2vak s LEU 170 N -2.31 3.26 -0.54 2.54 1.43 0.45 -4.67 118.68 118.84 2vak s LEU 170 Ca 0.42 -0.02 -0.21 0.00 -1.03 0.00 0.00 54.13 53.28 2vak s LEU 170 Cb -0.13 -1.76 0.05 0.00 0.03 0.00 0.00 46.19 44.38 2vak s LEU 170 CO 0.20 0.34 0.78 -0.47 0.23 0.00 0.00 176.35 177.43 2vak s TYR 171 N -0.89 2.91 -0.29 0.29 5.04 -1.26 -1.76 117.35 121.39 2vak s TYR 171 Ca 0.14 -0.34 -0.04 0.00 -2.44 0.00 0.00 57.07 54.39 2vak s TYR 171 Cb -0.11 -3.83 0.03 0.00 0.35 0.00 0.00 41.96 38.40 2vak s TYR 171 CO 0.04 -1.22 0.02 0.08 -1.34 0.00 0.00 175.55 173.13 2vak s VAL 172 N 3.28 3.33 -0.03 3.14 1.01 -0.02 -4.79 120.40 126.31 2vak s VAL 172 Ca 0.22 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 61.15 2vak s VAL 172 Cb -0.16 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.42 2vak s VAL 172 CO 0.15 0.01 -0.10 -0.70 0.00 0.00 0.00 175.10 174.46 2vak s GLU 173 N 1.36 1.12 0.12 2.72 2.12 -1.26 -0.04 118.70 124.84 2vak s GLU 173 Ca -0.01 -0.35 0.08 0.00 0.36 0.00 0.00 54.97 55.05 2vak s GLU 173 Cb -0.18 -1.02 -0.04 0.00 0.26 0.00 0.00 34.13 33.15 2vak s GLU 173 CO -0.01 0.12 -0.20 0.95 -0.54 0.00 0.00 175.26 175.59 2vak s THR 174 N 0.23 1.71 0.07 -1.70 -4.23 -0.15 -4.70 115.64 106.86 2vak s THR 174 Ca -0.04 -1.64 -0.08 0.00 -1.18 0.00 0.00 61.69 58.75 2vak s THR 174 Cb -0.10 -1.62 -0.00 0.00 1.34 0.00 0.00 72.50 72.12 2vak s THR 174 CO 0.01 -0.14 0.17 -1.66 -0.54 0.00 0.00 174.62 172.46 2vak s TRP 175 N -1.42 0.15 0.36 3.99 -2.14 -1.26 -0.51 118.94 118.12 2vak s TRP 175 Ca 0.09 -0.52 -0.27 0.00 2.66 0.00 0.00 56.10 58.05 2vak s TRP 175 Cb -0.09 -0.08 -0.12 0.00 -3.10 0.00 0.00 33.47 30.08 2vak s TRP 175 CO 0.05 -0.49 1.23 -2.30 -2.66 0.00 0.00 176.95 172.78 2vak n PRO 176 N 0.23 1.94 -1.91 3.25 -0.02 -1.25 -3.09 135.00 134.15 2vak n PRO 176 Ca -0.16 0.68 -0.14 0.00 -2.02 0.00 0.00 63.50 61.86 2vak n PRO 176 Cb 0.61 -2.27 0.01 0.00 -0.02 0.00 0.00 33.50 31.84 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 0.67 -1.94 -0.03 2.55 2.85 -1.25 -4.91 115.26 113.20 2vak n ASN 177 Ca 0.06 -0.06 -0.14 0.00 -0.11 0.00 0.00 54.58 54.33 2vak n ASN 177 Cb 0.37 -0.56 -0.14 0.00 1.24 0.00 0.00 39.78 40.68 2vak n ASN 177 CO 0.00 0.00 0.00 1.15 -2.11 0.00 0.00 177.26 176.30 2vak n MET 178 N -0.08 0.68 -3.37 1.20 0.00 -1.18 -4.51 117.12 109.87 2vak n MET 178 Ca -0.03 0.24 -0.45 0.00 0.00 0.00 0.00 57.70 57.45 2vak n MET 178 Cb 0.25 -1.71 -0.04 0.00 0.00 0.00 0.00 33.22 31.71 2vak n MET 178 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2vak s ILE 179 N -2.57 5.22 0.18 3.17 1.01 -1.26 -4.89 121.20 122.07 2vak s ILE 179 Ca -0.14 -2.14 -0.12 0.00 0.00 0.00 0.00 60.65 58.25 2vak s ILE 179 Cb 0.07 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.26 2vak s ILE 179 CO 0.79 -0.95 0.38 -0.94 0.00 0.00 0.00 174.94 174.22 2vak s SER 180 N 2.55 -0.06 0.85 3.58 1.04 -1.26 -4.61 113.70 115.77 2vak s SER 180 Ca 0.12 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.79 2vak s SER 180 Cb -0.19 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2vak s SER 180 CO -0.04 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.82 2vak n GLY 181 N -0.27 1.86 0.30 7.32 0.00 -1.26 -2.60 105.19 110.54 2vak n GLY 181 Ca -0.07 -0.55 0.02 0.00 0.00 0.00 0.00 46.02 45.42 2vak n GLY 181 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2vak h ARG 182 N 0.00 0.59 -0.42 1.61 3.08 -1.99 -2.73 114.38 114.51 2vak h ARG 182 Ca 0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 2vak h ARG 182 Cb 0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2vak h ARG 182 CO 0.00 0.45 0.18 1.25 -1.07 0.00 0.00 179.97 180.78 2vak h LEU 183 N 0.60 0.57 -1.41 3.04 5.85 -1.88 0.23 115.31 122.31 2vak h LEU 183 Ca 0.15 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2vak h LEU 183 Cb 0.04 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2vak h LEU 183 CO -0.02 0.57 0.30 0.00 -0.34 0.00 0.00 178.44 178.94 2vak h ALA 184 N 1.03 1.55 -0.05 1.25 0.00 -1.42 -0.29 119.26 121.33 2vak h ALA 184 Ca 0.14 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 2vak h ALA 184 Cb 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2vak h ALA 184 CO -0.01 0.38 -0.75 -0.44 0.00 0.00 0.00 179.25 178.43 2vak h ASP 185 N 0.71 0.36 0.17 0.00 3.32 -1.15 -1.37 116.42 118.46 2vak h ASP 185 Ca 0.19 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 2vak h ASP 185 Cb -0.01 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.44 2vak h ASP 185 CO -0.03 0.98 -0.08 -0.25 -1.72 0.00 0.00 179.24 178.14 2vak h TRP 186 N 0.20 -0.21 -0.40 4.55 7.01 0.02 -1.03 115.95 126.09 2vak h TRP 186 Ca -0.03 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.04 2vak h TRP 186 Cb 1.32 0.07 -0.07 0.00 -2.10 0.00 0.00 29.16 28.38 2vak h TRP 186 CO 0.03 0.08 -0.02 0.74 -2.79 0.00 0.00 178.44 176.48 2vak h PHE 187 N -0.49 -0.07 -0.86 2.65 0.04 -1.08 -1.74 116.94 115.39 2vak h PHE 187 Ca -0.02 0.03 0.11 0.00 2.80 0.00 0.00 57.97 60.88 2vak h PHE 187 Cb 0.38 0.09 -0.06 0.00 2.20 0.00 0.00 35.95 38.56 2vak h PHE 187 CO 0.01 -0.10 0.56 1.98 -0.60 0.00 0.00 178.31 180.16 2vak h MET 188 N 0.08 0.78 0.00 1.51 4.05 -1.20 -1.27 114.93 118.88 2vak h MET 188 Ca 0.19 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 2vak h MET 188 Cb 0.28 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 30.91 2vak h MET 188 CO -0.35 0.51 0.12 -1.13 0.23 0.00 0.00 176.91 176.30 2vak n SER 189 N -4.53 0.33 -0.09 1.39 3.41 -0.40 -2.16 113.62 111.58 2vak n SER 189 Ca 0.15 0.59 0.03 0.00 -0.26 0.00 0.00 58.87 59.39 2vak n SER 189 Cb 0.35 -0.60 0.04 0.00 -0.26 0.00 0.00 64.21 63.74 2vak n SER 189 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vak n GLN 190 N -1.95 1.55 -1.50 4.33 6.02 -0.48 -5.06 117.38 120.28 2vak n GLN 190 Ca -0.01 -1.61 -0.57 0.00 -0.01 0.00 0.00 57.00 54.80 2vak n GLN 190 Cb 0.14 -1.01 -0.07 0.00 1.02 0.00 0.00 30.24 30.32 2vak n GLN 190 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2vak n TYR 191 N -0.65 0.63 -0.97 1.08 9.36 -0.92 -0.94 117.16 124.75 2vak n TYR 191 Ca 0.05 1.02 0.00 0.00 3.32 0.00 0.00 57.90 62.29 2vak n TYR 191 Cb 0.48 -2.10 0.00 0.00 -0.63 0.00 0.00 39.34 37.09 2vak n TYR 191 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2vak n GLY 192 N 1.62 0.50 3.90 2.98 0.00 0.37 -4.99 105.19 109.58 2vak n GLY 192 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.21 6.30 -0.00 1.61 -0.87 -0.12 -4.69 114.94 114.96 2vak s ASN 193 Ca 0.00 0.96 -0.24 0.00 -1.57 0.00 0.00 52.86 52.00 2vak s ASN 193 Cb 0.00 -2.26 -0.05 0.00 -0.02 0.00 0.00 41.25 38.93 2vak s ASN 193 CO 0.00 -0.55 0.74 0.21 -2.57 0.00 0.00 177.10 174.93 2vak s ASN 194 N -3.97 7.12 0.25 -1.22 3.84 -1.26 -0.20 114.94 119.51 2vak s ASN 194 Ca 0.48 1.34 -0.07 0.00 0.21 0.00 0.00 52.86 54.82 2vak s ASN 194 Cb -0.10 -2.45 0.44 0.00 -0.55 0.00 0.00 41.25 38.59 2vak s ASN 194 CO 0.43 -0.04 1.61 0.15 -2.79 0.00 0.00 177.10 176.46 2vak h PHE 195 N 6.12 -0.19 -0.36 0.43 3.57 -1.07 -0.23 116.94 125.20 2vak h PHE 195 Ca -0.43 0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.04 2vak h PHE 195 Cb 1.20 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 40.14 2vak h PHE 195 CO 0.65 -0.30 -0.18 0.28 -2.23 0.00 0.00 178.31 176.53 2vak h VAL 196 N 0.05 1.26 -0.31 1.41 2.07 -1.93 -0.66 116.25 118.14 2vak h VAL 196 Ca 0.42 -1.23 -0.14 0.00 0.82 0.00 0.00 66.70 66.57 2vak h VAL 196 Cb 0.73 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2vak h VAL 196 CO -0.76 0.41 -0.37 0.44 0.02 0.00 0.00 177.57 177.31 2vak h ASP 197 N 0.60 0.87 -0.32 0.57 3.45 -1.84 -2.05 116.42 117.71 2vak h ASP 197 Ca 0.09 -0.49 0.06 0.00 0.43 0.00 0.00 57.03 57.13 2vak h ASP 197 Cb 0.64 -0.25 -0.05 0.00 -0.56 0.00 0.00 39.33 39.11 2vak h ASP 197 CO 0.05 1.18 -0.00 0.24 -1.57 0.00 0.00 179.24 179.13 2vak h MET 198 N 0.57 0.09 -0.25 3.56 2.86 -0.56 -0.57 114.93 120.63 2vak h MET 198 Ca 0.04 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2vak h MET 198 Cb 0.96 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 2vak h MET 198 CO 0.09 0.06 0.16 0.00 1.06 0.00 0.00 176.91 178.28 2vak h ALA 200 N 1.08 1.52 -0.35 0.00 0.00 -1.20 -0.36 119.26 119.96 2vak h ALA 200 Ca 0.09 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2vak h ALA 200 Cb -0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2vak h ALA 200 CO -0.02 0.33 -0.05 -0.09 0.00 0.00 0.00 179.25 179.42 2vak h ARG 201 N 1.02 0.56 0.07 0.00 2.43 -0.86 -0.61 114.38 116.99 2vak h ARG 201 Ca 0.39 -0.14 -0.25 0.00 -0.81 0.00 0.00 59.98 59.17 2vak h ARG 201 Cb 0.22 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2vak h ARG 201 CO -0.15 0.63 -1.10 -0.07 -1.51 0.00 0.00 179.97 177.77 2vak h LEU 202 N 0.53 0.55 -0.79 3.80 3.38 -1.12 -2.29 115.31 119.36 2vak h LEU 202 Ca 0.11 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 2vak h LEU 202 Cb 0.42 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2vak h LEU 202 CO 0.02 1.33 0.43 0.74 0.09 0.00 0.00 178.44 181.05 2vak h THR 203 N 0.18 1.24 0.15 0.22 2.02 -0.91 -2.79 112.91 113.02 2vak h THR 203 Ca -0.12 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 2vak h THR 203 Cb 1.77 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 2vak h THR 203 CO 0.19 0.27 -0.25 -0.61 0.37 0.00 0.00 175.52 175.49 2vak h GLN 204 N 1.10 -0.41 0.00 6.66 5.75 -1.14 -3.11 115.11 123.96 2vak h GLN 204 Ca 0.28 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.81 2vak h GLN 204 Cb 0.05 0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.69 2vak h GLN 204 CO -0.04 -0.27 0.00 -1.13 -2.65 0.00 0.00 178.83 174.74 2vak n SER 205 N -3.85 0.00 -0.85 -0.69 3.41 -0.86 -1.12 113.62 109.66 2vak n SER 205 Ca -0.05 -1.02 0.12 0.00 -0.26 0.00 0.00 58.87 57.65 2vak n SER 205 Cb 0.21 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.44 2vak n SER 205 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vak h SER 207 N 3.50 -1.00 -1.15 0.00 0.02 -1.22 -3.20 113.55 110.50 2vak h SER 207 Ca 0.00 0.04 -0.34 0.00 -0.84 0.00 0.00 61.79 60.65 2vak h SER 207 Cb 0.76 0.27 -0.04 0.00 0.14 0.00 0.00 62.40 63.54 2vak h SER 207 CO 0.00 -0.66 0.92 0.21 -1.14 0.00 0.00 176.83 176.16 2vak s ASN 208 N -3.71 5.00 -0.45 3.07 2.47 -1.26 -4.96 114.94 115.10 2vak s ASN 208 Ca -0.16 -0.16 -0.06 0.00 0.42 0.00 0.00 52.86 52.90 2vak s ASN 208 Cb 0.02 -2.54 0.12 0.00 -1.45 0.00 0.00 41.25 37.39 2vak s ASN 208 CO 0.50 -2.75 0.29 0.00 -3.72 0.00 0.00 177.10 171.41 2vak s MET 209 N 7.30 2.27 -1.21 0.43 0.23 -1.21 -4.86 119.30 122.25 2vak s MET 209 Ca 0.73 -1.82 -0.08 0.00 -1.03 0.00 0.00 55.69 53.49 2vak s MET 209 Cb -0.10 -3.77 0.21 0.00 -1.53 0.00 0.00 34.83 29.65 2vak s MET 209 CO 0.09 -1.14 1.67 -0.35 -2.03 0.00 0.00 175.02 173.26 2vak n PRO 210 N 4.71 3.84 -2.82 3.16 -0.04 -1.26 -4.93 135.00 137.65 2vak n PRO 210 Ca -0.05 -3.91 -0.43 0.00 -0.04 0.00 0.00 63.50 59.07 2vak n PRO 210 Cb 0.41 -2.80 -0.02 0.00 -0.04 0.00 0.00 33.50 31.05 2vak n PRO 210 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2vak s VAL 211 N -0.49 4.55 0.05 0.52 1.01 -1.26 -4.88 120.40 119.90 2vak s VAL 211 Ca 0.37 -1.57 -0.17 0.00 0.00 0.00 0.00 61.98 60.61 2vak s VAL 211 Cb 0.06 -4.89 -0.06 0.00 0.00 0.00 0.00 36.38 31.48 2vak s VAL 211 CO 0.03 -1.66 0.50 -1.61 0.00 0.00 0.00 175.10 172.37 2vak s GLU 212 N 3.14 4.07 0.17 2.72 2.02 -1.26 -4.79 118.70 124.76 2vak s GLU 212 Ca 0.39 0.59 -0.34 0.00 0.02 0.00 0.00 54.97 55.63 2vak s GLU 212 Cb -0.03 -3.21 -0.14 0.00 0.10 0.00 0.00 34.13 30.85 2vak s GLU 212 CO -0.07 0.65 1.51 -2.30 0.02 0.00 0.00 175.26 175.07 2vak n PRO 213 N 1.68 1.98 -0.97 0.39 -0.02 -1.26 -1.70 135.00 135.10 2vak n PRO 213 Ca -0.11 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2vak n PRO 213 Cb 0.51 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 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 3.05 -3.69 -3.86 2.55 9.92 -1.26 -5.02 116.55 118.24 2vak n ASP 214 Ca 0.16 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 54.12 2vak n ASP 214 Cb 0.28 -1.73 0.23 0.00 -0.64 0.00 0.00 41.12 39.26 2vak n ASP 214 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2vak s GLY 215 N -2.00 1.65 0.10 0.44 0.00 -0.69 -4.81 107.32 102.01 2vak s GLY 215 Ca 0.00 -1.06 -0.25 0.00 0.00 0.00 0.00 44.72 43.41 2vak s GLY 215 CO 0.00 -0.19 1.67 3.43 0.00 0.00 0.00 173.10 178.01 2vak h ASN 216 N -2.33 -0.45 -0.62 1.64 2.35 -1.92 -2.05 115.58 112.20 2vak h ASN 216 Ca -0.44 0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.39 2vak h ASN 216 Cb 1.27 0.17 -0.04 0.00 0.05 0.00 0.00 38.32 39.77 2vak h ASN 216 CO 0.34 -0.24 0.38 1.88 -1.65 0.00 0.00 177.43 178.15 2vak h TYR 217 N -0.32 0.72 -0.63 1.19 0.05 -1.91 -1.41 116.97 114.66 2vak h TYR 217 Ca 0.02 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 2vak h TYR 217 Cb 0.34 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.81 2vak h TYR 217 CO -0.17 0.41 0.33 0.22 -1.05 0.00 0.00 178.16 177.90 2vak h ASP 218 N 0.75 0.80 -0.40 3.88 3.58 -1.79 -1.28 116.42 121.96 2vak h ASP 218 Ca 0.25 -0.11 -0.14 0.00 0.42 0.00 0.00 57.03 57.45 2vak h ASP 218 Cb 0.02 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 2vak h ASP 218 CO -0.10 0.68 -0.32 1.56 -2.88 0.00 0.00 179.24 178.18 2vak h GLN 219 N 0.86 0.92 -0.25 0.28 4.20 -1.12 -1.75 115.11 118.25 2vak h GLN 219 Ca 0.22 -0.45 0.03 0.00 0.06 0.00 0.00 58.65 58.51 2vak h GLN 219 Cb 0.07 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2vak h GLN 219 CO -0.03 1.11 0.05 1.96 -0.67 0.00 0.00 178.83 181.25 2vak h GLN 220 N 0.73 0.14 0.30 1.46 4.20 -1.03 -0.84 115.11 120.08 2vak h GLN 220 Ca 0.07 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 2vak h GLN 220 Cb 0.90 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.66 2vak h GLN 220 CO 0.08 0.10 -0.15 0.52 -0.67 0.00 0.00 178.83 178.71 2vak h MET 221 N 0.15 -0.39 -0.37 1.46 2.86 -1.14 0.09 114.93 117.58 2vak h MET 221 Ca 0.11 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.79 2vak h MET 221 Cb 0.11 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2vak h MET 221 CO -0.14 -0.17 0.23 0.00 1.06 0.00 0.00 176.91 177.88 2vak h ARG 222 N -0.54 0.45 -0.68 1.72 3.08 -1.33 -1.50 114.38 115.57 2vak h ARG 222 Ca -0.04 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 2vak h ARG 222 Cb 0.40 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 2vak h ARG 222 CO 0.07 0.29 0.29 0.00 -1.07 0.00 0.00 179.97 179.55 2vak h ALA 223 N 1.16 0.88 -0.54 0.04 0.00 -1.12 -2.75 119.26 116.94 2vak h ALA 223 Ca 0.15 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2vak h ALA 223 Cb -0.01 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.45 2vak h ALA 223 CO -0.06 0.49 0.20 1.25 0.00 0.00 0.00 179.25 181.13 2vak h LEU 224 N 0.96 0.20 -0.26 0.00 5.85 -0.72 -0.84 115.31 120.51 2vak h LEU 224 Ca 0.23 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 2vak h LEU 224 Cb 0.19 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2vak h LEU 224 CO -0.02 0.14 0.07 0.40 -0.34 0.00 0.00 178.44 178.68 2vak h ILE 225 N 0.38 1.21 0.04 4.05 2.04 -1.12 -2.05 117.51 122.05 2vak h ILE 225 Ca 0.26 -0.67 -0.23 0.00 1.00 0.00 0.00 64.86 65.22 2vak h ILE 225 Cb 0.29 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 2vak h ILE 225 CO -0.26 0.22 -1.05 0.77 0.00 0.00 0.00 178.15 177.82 2vak h SER 226 N 0.25 0.16 -0.93 1.72 4.64 -1.47 -0.30 113.55 117.62 2vak h SER 226 Ca 0.08 -0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2vak h SER 226 Cb 0.27 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.26 2vak h SER 226 CO -0.00 1.10 0.57 0.25 -0.87 0.00 0.00 176.83 177.88 2vak h LEU 227 N 0.04 1.12 -0.02 5.97 5.85 -1.17 -1.41 115.31 125.68 2vak h LEU 227 Ca -0.05 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 2vak h LEU 227 Cb 1.79 -0.28 0.01 0.00 0.37 0.00 0.00 40.66 42.54 2vak h LEU 227 CO 0.15 0.85 -0.37 -0.25 -0.34 0.00 0.00 178.44 178.48 2vak h TRP 228 N 1.28 0.41 -0.28 1.25 7.01 -1.27 -2.47 115.95 121.88 2vak h TRP 228 Ca 0.33 -0.21 -0.03 0.00 2.11 0.00 0.00 58.89 61.10 2vak h TRP 228 Cb -0.06 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 26.93 2vak h TRP 228 CO 0.00 1.00 0.06 1.25 -2.79 0.00 0.00 178.44 177.96 2vak h LEU 229 N -0.30 0.37 -0.44 0.65 5.85 -1.04 0.22 115.31 120.61 2vak h LEU 229 Ca -0.04 -0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.46 2vak h LEU 229 Cb 1.09 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 2vak h LEU 229 CO 0.07 0.39 -0.59 -0.07 -0.34 0.00 0.00 178.44 177.90 2vak h LEU 230 N 0.40 0.69 0.17 2.25 3.38 -1.30 -1.91 115.31 118.99 2vak h LEU 230 Ca 0.10 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 2vak h LEU 230 Cb 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2vak h LEU 230 CO -0.00 1.12 -0.13 0.28 0.09 0.00 0.00 178.44 179.81 2vak h SER 231 N 0.46 -0.33 -0.99 -0.43 0.02 -0.81 -1.85 113.55 109.62 2vak h SER 231 Ca -0.00 0.03 0.20 0.00 -0.84 0.00 0.00 61.79 61.18 2vak h SER 231 Cb 1.16 0.11 -0.10 0.00 0.14 0.00 0.00 62.40 63.70 2vak h SER 231 CO 0.11 -0.20 0.62 0.22 -1.14 0.00 0.00 176.83 176.44 2vak h TYR 232 N -0.30 0.95 -0.01 3.45 3.20 -0.42 -0.30 116.97 123.54 2vak h TYR 232 Ca -0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2vak h TYR 232 Cb 0.27 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.26 2vak h TYR 232 CO -0.10 0.19 -0.34 0.44 -1.64 0.00 0.00 178.16 176.71 2vak n ILE 233 N -4.72 0.00 0.00 1.81 -5.35 -0.74 -4.64 119.36 105.72 2vak n ILE 233 Ca 0.23 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.60 2vak n ILE 233 Cb 0.64 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 39.00 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 1.38 2.62 0.23 3.28 0.00 -0.12 -3.64 105.19 108.93 2vak n GLY 234 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 2vak n GLY 234 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2vak h VAL 235 N 0.00 1.29 -3.35 1.61 -1.51 -1.66 -3.39 116.25 109.25 2vak h VAL 235 Ca 0.00 -1.51 -0.61 0.00 -1.23 0.00 0.00 66.70 63.35 2vak h VAL 235 Cb 0.00 1.51 -0.15 0.00 -2.13 0.00 0.00 31.29 30.52 2vak h VAL 235 CO 0.00 0.48 -0.53 -0.69 -1.23 0.00 0.00 177.57 175.59 2vak s VAL 236 N -4.30 5.04 0.16 7.19 1.01 -0.74 -4.79 120.40 123.98 2vak s VAL 236 Ca -0.07 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 2vak s VAL 236 Cb 0.13 -3.30 0.03 0.00 0.00 0.00 0.00 36.38 33.24 2vak s VAL 236 CO 0.82 0.43 0.41 -0.46 0.00 0.00 0.00 175.10 176.30 2vak n ASN 237 N 3.71 -1.04 0.17 3.32 0.23 -0.44 -3.74 115.26 117.48 2vak n ASN 237 Ca -0.16 -1.68 0.13 0.00 -0.53 0.00 0.00 54.58 52.33 2vak n ASN 237 Cb 0.52 1.72 0.67 0.00 -2.08 0.00 0.00 39.78 40.61 2vak n ASN 237 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2vak h GLN 238 N 0.00 0.00 -0.01 -3.83 4.15 -1.95 -1.18 115.11 112.28 2vak h GLN 238 Ca -0.15 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.27 2vak h GLN 238 Cb 0.59 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.28 2vak h GLN 238 CO 0.20 0.00 -0.37 0.25 -1.93 0.00 0.00 178.83 176.98 2vak n THR 239 N -4.45 0.00 -3.50 2.39 -2.24 -1.26 -4.71 114.28 100.52 2vak n THR 239 Ca 0.02 -0.21 -0.28 0.00 -2.27 0.00 0.00 64.05 61.31 2vak n THR 239 Cb 0.28 0.91 -0.13 0.00 -2.10 0.00 0.00 70.33 69.28 2vak n THR 239 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2vak s ASN 240 N -2.46 3.12 0.35 3.42 2.47 -0.45 -3.42 114.94 117.97 2vak s ASN 240 Ca 0.21 -1.51 0.08 0.00 0.42 0.00 0.00 52.86 52.07 2vak s ASN 240 Cb 0.19 -0.25 -0.05 0.00 -1.45 0.00 0.00 41.25 39.69 2vak s ASN 240 CO 0.54 -0.39 0.10 0.42 -3.72 0.00 0.00 177.10 174.05 2vak s THR 241 N 1.80 2.81 -0.42 -5.21 -4.23 -0.13 -1.33 115.64 108.94 2vak s THR 241 Ca 0.12 -1.78 -0.08 0.00 -1.18 0.00 0.00 61.69 58.77 2vak s THR 241 Cb -0.18 -2.92 0.09 0.00 1.34 0.00 0.00 72.50 70.83 2vak s THR 241 CO -0.24 -0.17 0.25 -0.63 -0.54 0.00 0.00 174.62 173.29 2vak s ILE 242 N -2.48 4.00 -1.48 2.99 1.01 -0.91 -0.19 121.20 124.15 2vak s ILE 242 Ca 0.37 -1.59 -0.04 0.00 0.00 0.00 0.00 60.65 59.39 2vak s ILE 242 Cb -0.01 -3.53 0.02 0.00 0.01 0.00 0.00 42.46 38.95 2vak s ILE 242 CO 0.22 -0.57 0.37 -1.20 0.00 0.00 0.00 174.94 173.76 2vak n SER 243 N 4.85 -5.29 0.00 3.58 7.64 -1.26 -1.80 113.62 121.33 2vak n SER 243 Ca -0.08 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.61 2vak n SER 243 Cb 0.42 -4.35 0.00 0.00 -1.01 0.00 0.00 64.21 59.28 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 -1.25 2.14 3.87 0.23 0.00 -1.26 -4.90 105.19 104.02 2vak n GLY 244 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.31 3.57 0.07 1.61 0.08 -0.75 0.25 117.98 120.50 2vak s PHE 245 Ca 0.00 0.80 -0.26 0.00 0.12 0.00 0.00 56.93 57.58 2vak s PHE 245 Cb 0.00 -2.17 0.09 0.00 -0.57 0.00 0.00 43.02 40.37 2vak s PHE 245 CO 0.00 0.49 0.81 1.52 -0.10 0.00 0.00 175.22 177.94 2vak s TYR 246 N -1.45 -0.37 -0.12 0.36 1.13 -0.97 -2.13 117.35 113.80 2vak s TYR 246 Ca 0.35 0.18 -0.06 0.00 -1.41 0.00 0.00 57.07 56.13 2vak s TYR 246 Cb -0.14 0.56 -0.04 0.00 -1.10 0.00 0.00 41.96 41.25 2vak s TYR 246 CO 0.19 -0.69 0.10 -0.06 -2.51 0.00 0.00 175.55 172.58 2vak s PHE 247 N -3.35 3.46 0.13 -3.49 0.40 -1.26 -0.21 117.98 113.66 2vak s PHE 247 Ca 0.05 0.40 0.10 0.00 -0.60 0.00 0.00 56.93 56.88 2vak s PHE 247 Cb -0.01 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 2vak s PHE 247 CO -0.08 0.60 -0.24 0.45 0.70 0.00 0.00 175.22 176.65 2vak s SER 248 N -0.80 3.03 -0.02 1.36 0.15 -0.23 -4.85 113.70 112.35 2vak s SER 248 Ca 0.13 -0.75 0.01 0.00 0.70 0.00 0.00 55.95 56.03 2vak s SER 248 Cb -0.12 -0.19 0.02 0.00 -1.71 0.00 0.00 66.02 64.02 2vak s SER 248 CO 0.03 0.12 -0.01 -0.55 1.20 0.00 0.00 173.24 174.03 2vak s SER 249 N -2.14 0.40 0.17 5.45 0.15 -1.26 -0.09 113.70 116.39 2vak s SER 249 Ca 0.13 -0.04 -0.15 0.00 0.70 0.00 0.00 55.95 56.59 2vak s SER 249 Cb -0.09 -0.18 0.13 0.00 -1.71 0.00 0.00 66.02 64.16 2vak s SER 249 CO 0.06 -0.06 1.72 0.11 1.20 0.00 0.00 173.24 176.27 2vak h LYS 250 N 6.94 0.21 -6.23 5.44 1.79 -1.91 -3.44 116.57 119.37 2vak h LYS 250 Ca -0.39 -0.01 -0.48 0.00 -2.18 0.00 0.00 60.65 57.59 2vak h LYS 250 Cb 1.15 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.73 2vak h LYS 250 CO 0.49 0.14 -0.43 0.95 -1.08 0.00 0.00 179.45 179.51 2vak s THR 251 N -6.16 3.81 -0.11 -0.16 -4.23 -1.26 -5.13 115.64 102.40 2vak s THR 251 Ca -0.13 -1.27 -0.04 0.00 -1.18 0.00 0.00 61.69 59.07 2vak s THR 251 Cb 0.14 -3.28 0.05 0.00 1.34 0.00 0.00 72.50 70.74 2vak s THR 251 CO 0.72 -0.19 0.10 -0.60 -0.54 0.00 0.00 174.62 174.10 2vak s ARG 252 N -4.02 0.02 0.00 3.99 6.06 -1.26 -4.70 118.95 119.04 2vak s ARG 252 Ca 0.41 0.20 0.00 0.00 -2.50 0.00 0.00 55.73 53.84 2vak s ARG 252 Cb -0.07 -1.07 0.00 0.00 0.06 0.00 0.00 34.95 33.87 2vak s ARG 252 CO 0.28 -0.49 0.00 0.41 -2.50 0.00 0.00 175.30 172.99 2vak n GLY 253 N 5.30 1.02 3.45 8.12 0.00 -1.26 -4.44 105.19 117.38 2vak n GLY 253 Ca -0.05 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 2vak n GLY 253 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2vak s GLN 254 N -2.83 1.42 0.49 1.61 0.74 -1.26 -4.37 119.66 115.46 2vak s GLN 254 Ca 0.00 -1.38 0.24 0.00 0.05 0.00 0.00 55.36 54.27 2vak s GLN 254 Cb 0.00 0.40 1.30 0.00 1.10 0.00 0.00 33.01 35.81 2vak s GLN 254 CO 0.00 -0.55 2.03 0.00 -0.55 0.00 0.00 175.29 176.22 2vak h ALA 255 N 2.38 1.34 -0.48 1.58 0.00 -1.97 -2.87 119.26 119.25 2vak h ALA 255 Ca -0.29 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2vak h ALA 255 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2vak h ALA 255 CO 0.42 0.19 0.00 1.28 0.00 0.00 0.00 179.25 181.14 2vak n LEU 256 N -3.77 2.90 -4.75 0.00 4.77 -1.26 -4.98 117.00 109.90 2vak n LEU 256 Ca -0.02 -1.39 -0.41 0.00 -0.03 0.00 0.00 56.01 54.16 2vak n LEU 256 Cb 0.26 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 2vak n LEU 256 CO 0.32 0.69 1.16 -1.81 -1.33 0.00 0.00 177.39 176.42 2vak s ASP 257 N -1.16 6.51 -0.28 -1.43 -0.00 -1.09 -4.72 116.67 114.51 2vak s ASP 257 Ca 0.37 2.82 -0.11 0.00 -0.00 0.00 0.00 52.55 55.63 2vak s ASP 257 Cb 0.20 -2.63 0.11 0.00 -0.00 0.00 0.00 42.92 40.59 2vak s ASP 257 CO 0.27 -0.79 0.63 -0.55 -0.00 0.00 0.00 175.17 174.73 2vak s SER 258 N 0.31 -1.00 -0.26 0.27 0.15 -1.26 -5.06 113.70 106.85 2vak s SER 258 Ca 0.60 1.49 -0.09 0.00 0.70 0.00 0.00 55.95 58.64 2vak s SER 258 Cb -0.45 1.93 -0.04 0.00 -1.71 0.00 0.00 66.02 65.75 2vak s SER 258 CO 0.48 -0.23 0.14 0.26 1.20 0.00 0.00 173.24 175.09 2vak s TRP 259 N 2.48 3.17 -0.07 3.44 0.52 -1.26 -3.98 118.94 123.24 2vak s TRP 259 Ca -0.07 -0.10 0.03 0.00 0.02 0.00 0.00 56.10 55.98 2vak s TRP 259 Cb -0.10 -2.31 -0.02 0.00 -1.15 0.00 0.00 33.47 29.89 2vak s TRP 259 CO -0.19 -0.22 -0.14 0.99 0.02 0.00 0.00 176.95 177.41 2vak s THR 260 N 1.63 3.03 -0.25 2.01 2.01 0.87 -0.36 115.64 124.59 2vak s THR 260 Ca 0.07 -0.72 -0.29 0.00 0.31 0.00 0.00 61.69 61.06 2vak s THR 260 Cb -0.15 -2.21 0.00 0.00 0.01 0.00 0.00 72.50 70.15 2vak s THR 260 CO 0.07 0.57 1.14 -0.22 -0.69 0.00 0.00 174.62 175.50 2vak s LEU 261 N -0.44 4.04 0.43 4.42 2.96 0.73 -1.06 118.68 129.76 2vak s LEU 261 Ca 0.05 1.34 0.07 0.00 -0.22 0.00 0.00 54.13 55.36 2vak s LEU 261 Cb -0.12 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 2vak s LEU 261 CO 0.02 -0.81 0.15 -0.36 -1.32 0.00 0.00 176.35 174.03 2vak s PHE 262 N 3.57 2.44 -0.01 5.38 0.08 0.71 0.14 117.98 130.29 2vak s PHE 262 Ca 0.49 -0.66 0.01 0.00 0.12 0.00 0.00 56.93 56.89 2vak s PHE 262 Cb -0.16 -1.89 0.01 0.00 -0.57 0.00 0.00 43.02 40.40 2vak s PHE 262 CO 0.13 0.18 -0.03 -0.47 -0.10 0.00 0.00 175.22 174.94 2vak s TYR 263 N -2.66 0.38 -0.16 0.36 5.04 -1.26 -2.28 117.35 116.77 2vak s TYR 263 Ca 0.36 -0.06 0.01 0.00 -2.44 0.00 0.00 57.07 54.94 2vak s TYR 263 Cb 0.04 -0.32 0.01 0.00 0.35 0.00 0.00 41.96 42.04 2vak s TYR 263 CO 0.20 -0.06 -0.18 0.99 -1.34 0.00 0.00 175.55 175.16 2vak s THR 264 N 0.32 2.37 0.12 4.34 2.01 0.71 -4.97 115.64 120.54 2vak s THR 264 Ca -0.03 -0.86 -0.12 0.00 0.31 0.00 0.00 61.69 60.98 2vak s THR 264 Cb -0.06 -1.99 -0.08 0.00 0.01 0.00 0.00 72.50 70.38 2vak s THR 264 CO -0.01 0.53 1.41 0.74 -0.69 0.00 0.00 174.62 176.61 2vak h THR 265 N 5.77 1.28 -0.00 -0.82 2.02 -1.97 -3.38 112.91 115.80 2vak h THR 265 Ca -0.35 -1.67 0.00 0.00 0.77 0.00 0.00 66.41 65.16 2vak h THR 265 Cb 1.18 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 2vak h THR 265 CO 0.57 0.55 -0.49 -0.46 0.37 0.00 0.00 175.52 176.06 2vak n ASN 266 N -4.05 0.75 -4.99 4.18 6.94 -1.26 -5.03 115.26 111.80 2vak n ASN 266 Ca -0.04 -0.87 -0.19 0.00 -0.02 0.00 0.00 54.58 53.46 2vak n ASN 266 Cb 0.60 0.88 0.03 0.00 -2.36 0.00 0.00 39.78 38.93 2vak n ASN 266 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2vak s THR 267 N -2.00 2.71 0.39 5.53 -4.23 -1.26 -5.04 115.64 111.74 2vak s THR 267 Ca 0.06 -0.91 -0.27 0.00 -1.18 0.00 0.00 61.69 59.39 2vak s THR 267 Cb 0.09 -2.81 -0.10 0.00 1.34 0.00 0.00 72.50 71.02 2vak s THR 267 CO 0.45 0.00 1.43 -3.20 -0.54 0.00 0.00 174.62 172.76 2vak n ASN 268 N -2.09 3.46 -4.34 3.99 2.85 -1.22 -4.88 115.26 113.03 2vak n ASN 268 Ca 0.10 1.19 -0.33 0.00 -0.11 0.00 0.00 54.58 55.43 2vak n ASN 268 Cb 0.60 -1.59 -0.15 0.00 1.24 0.00 0.00 39.78 39.88 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 -2.17 3.20 0.63 1.20 0.52 -1.26 -0.95 118.95 120.12 2vak s ARG 269 Ca 0.56 -0.74 -0.15 0.00 -0.52 0.00 0.00 55.73 54.88 2vak s ARG 269 Cb -0.48 -2.52 -0.02 0.00 0.52 0.00 0.00 34.95 32.45 2vak s ARG 269 CO 0.62 0.25 1.09 0.14 0.02 0.00 0.00 175.30 177.42 2vak s VAL 270 N 0.23 3.43 -0.26 3.52 -7.23 0.73 -4.90 120.40 115.92 2vak s VAL 270 Ca -0.10 0.68 0.03 0.00 -1.81 0.00 0.00 61.98 60.77 2vak s VAL 270 Cb -0.16 -3.20 0.06 0.00 0.56 0.00 0.00 36.38 33.64 2vak s VAL 270 CO 0.06 -0.40 -0.11 -1.10 -0.31 0.00 0.00 175.10 173.24 2vak s GLN 271 N -4.05 2.24 -0.13 4.82 -0.21 -1.25 -4.72 119.66 116.36 2vak s GLN 271 Ca 0.66 -1.31 -0.21 0.00 0.02 0.00 0.00 55.36 54.52 2vak s GLN 271 Cb -0.19 -2.86 -0.03 0.00 1.00 0.00 0.00 33.01 30.92 2vak s GLN 271 CO 0.39 -0.56 0.61 0.42 -2.12 0.00 0.00 175.29 174.04 2vak s ILE 272 N 1.12 5.08 -0.12 1.08 1.01 -1.25 -4.32 121.20 123.80 2vak s ILE 272 Ca -0.08 1.21 0.12 0.00 0.00 0.00 0.00 60.65 61.90 2vak s ILE 272 Cb -0.20 -3.94 -0.17 0.00 0.01 0.00 0.00 42.46 38.17 2vak s ILE 272 CO -0.05 0.22 0.07 0.41 0.00 0.00 0.00 174.94 175.58 2vak n THR 273 N 4.10 0.82 -4.25 2.92 -1.04 -0.14 -3.82 114.28 112.87 2vak n THR 273 Ca -0.03 -0.54 -0.18 0.00 -2.04 0.00 0.00 64.05 61.27 2vak n THR 273 Cb 0.51 -0.58 -0.07 0.00 -1.82 0.00 0.00 70.33 68.37 2vak n THR 273 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2vak n GLN 274 N -2.44 0.39 -3.26 -2.82 10.64 -1.21 -4.84 117.38 113.84 2vak n GLN 274 Ca -0.20 -3.08 -0.38 0.00 -1.83 0.00 0.00 57.00 51.51 2vak n GLN 274 Cb 0.88 2.54 -0.06 0.00 -0.86 0.00 0.00 30.24 32.74 2vak n GLN 274 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 2vak s ARG 275 N -3.24 4.30 -0.03 2.61 3.52 -1.26 -3.84 118.95 121.01 2vak s ARG 275 Ca 0.37 0.61 0.07 0.00 -0.13 0.00 0.00 55.73 56.65 2vak s ARG 275 Cb 0.02 -3.38 -0.02 0.00 -1.56 0.00 0.00 34.95 30.01 2vak s ARG 275 CO 0.26 0.28 -0.25 -1.01 -0.81 0.00 0.00 175.30 173.77 2vak s HIS 276 N 0.16 2.30 -0.02 5.12 3.76 0.34 -4.97 115.29 121.98 2vak s HIS 276 Ca 0.29 -0.51 0.01 0.00 -0.15 0.00 0.00 55.06 54.70 2vak s HIS 276 Cb -0.17 -1.49 0.01 0.00 1.11 0.00 0.00 32.58 32.05 2vak s HIS 276 CO 0.14 -0.09 -0.03 0.12 -0.85 0.00 0.00 174.74 174.04 2vak s PHE 277 N -0.47 0.43 0.02 1.40 5.36 -1.26 -0.98 117.98 122.48 2vak s PHE 277 Ca 0.06 -0.07 0.01 0.00 -0.96 0.00 0.00 56.93 55.97 2vak s PHE 277 Cb -0.11 -0.40 -0.02 0.00 -0.34 0.00 0.00 43.02 42.16 2vak s PHE 277 CO 0.00 -0.09 -0.04 0.00 -1.46 0.00 0.00 175.22 173.62 2vak s ALA 278 N 0.57 0.29 -0.17 11.12 0.00 0.94 -5.01 121.76 129.50 2vak s ALA 278 Ca -0.06 -0.55 -0.19 0.00 0.00 0.00 0.00 51.96 51.16 2vak s ALA 278 Cb -0.09 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 2vak s ALA 278 CO -0.01 -0.07 0.53 0.71 0.00 0.00 0.00 175.76 176.92 2vak s TYR 279 N -1.15 3.43 -0.09 0.00 2.02 -1.26 -0.84 117.35 119.45 2vak s TYR 279 Ca -0.11 0.85 0.00 0.00 -0.37 0.00 0.00 57.07 57.44 2vak s TYR 279 Cb -0.08 -2.65 0.02 0.00 -0.40 0.00 0.00 41.96 38.85 2vak s TYR 279 CO -0.00 -0.02 -0.07 0.08 -1.57 0.00 0.00 175.55 173.97 2vak s VAL 280 N 1.31 0.93 0.25 0.71 1.01 -0.72 -0.52 120.40 123.36 2vak s VAL 280 Ca 0.26 -0.27 0.10 0.00 0.00 0.00 0.00 61.98 62.07 2vak s VAL 280 Cb -0.15 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 2vak s VAL 280 CO 0.10 0.34 -0.12 0.00 0.00 0.00 0.00 175.10 175.43 2vak s ALA 282 N -2.20 3.64 -0.01 0.00 0.00 -1.10 -0.12 121.76 121.96 2vak s ALA 282 Ca 0.29 -0.08 -0.22 0.00 0.00 0.00 0.00 51.96 51.95 2vak s ALA 282 Cb -0.07 -3.39 -0.22 0.00 0.00 0.00 0.00 23.12 19.45 2vak s ALA 282 CO 0.16 -1.04 1.11 -0.09 0.00 0.00 0.00 175.76 175.91 2vak h ARG 283 N 7.70 0.29 -6.63 0.00 2.43 -0.54 0.87 114.38 118.50 2vak h ARG 283 Ca -0.22 -0.27 -0.51 0.00 -0.81 0.00 0.00 59.98 58.17 2vak h ARG 283 Cb 1.08 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.67 2vak h ARG 283 CO 0.92 0.95 0.13 -1.54 -1.51 0.00 0.00 179.97 178.92 2vak s SER 284 N -6.43 7.04 0.13 -3.80 1.04 -1.24 -4.45 113.70 106.00 2vak s SER 284 Ca -0.15 1.44 0.14 0.00 0.48 0.00 0.00 55.95 57.86 2vak s SER 284 Cb 0.03 -2.43 0.64 0.00 0.10 0.00 0.00 66.02 64.36 2vak s SER 284 CO 0.77 -0.02 1.43 -2.65 0.98 0.00 0.00 173.24 173.75 2vak n PRO 285 N 0.52 0.07 0.00 4.02 -0.02 -1.26 -1.61 135.00 136.72 2vak n PRO 285 Ca -0.01 0.45 0.07 0.00 -2.02 0.00 0.00 63.50 61.99 2vak n PRO 285 Cb 0.51 -1.69 0.36 0.00 -0.02 0.00 0.00 33.50 32.66 2vak n PRO 285 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2vak n ASP 286 N -1.83 0.00 -0.30 2.55 5.68 -1.26 -2.24 116.55 119.14 2vak n ASP 286 Ca 0.01 0.21 0.32 0.00 -0.50 0.00 0.00 54.79 54.83 2vak n ASP 286 Cb 0.10 -0.35 0.71 0.00 -1.14 0.00 0.00 41.12 40.44 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 0.12 0.00 2.11 5.08 -1.69 -1.89 115.95 119.67 2vak h TRP 287 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.97 2vak h TRP 287 Cb 0.18 -0.03 -0.00 0.00 -3.00 0.00 0.00 29.16 26.30 2vak h TRP 287 CO 0.00 0.01 -0.00 -0.91 -1.28 0.00 0.00 178.44 176.25 2vak h ASN 288 N 0.07 0.00 0.00 0.11 2.35 -1.72 -2.09 115.58 114.30 2vak h ASN 288 Ca 0.55 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.30 2vak h ASN 288 Cb 2.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.43 2vak h ASN 288 CO -0.06 0.00 -0.97 0.52 -1.65 0.00 0.00 177.43 175.27 2vak n VAL 289 N -3.29 0.00 -3.16 2.81 0.31 -0.71 -0.56 118.33 113.72 2vak n VAL 289 Ca -0.03 -0.19 -0.45 0.00 -0.01 0.00 0.00 64.34 63.66 2vak n VAL 289 Cb 0.09 0.80 -0.03 0.00 -0.91 0.00 0.00 33.84 33.78 2vak n VAL 289 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2vak s ASP 290 N -2.80 6.53 0.60 4.52 -1.08 -0.79 -4.89 116.67 118.76 2vak s ASP 290 Ca 0.03 -2.12 0.36 0.00 -0.52 0.00 0.00 52.55 50.30 2vak s ASP 290 Cb 0.12 -2.29 1.92 0.00 -1.46 0.00 0.00 42.92 41.21 2vak s ASP 290 CO 0.65 -0.87 2.22 0.11 0.52 0.00 0.00 175.17 177.80 2vak h LYS 291 N 8.52 0.00 0.13 4.34 1.57 -1.89 -2.33 116.57 126.90 2vak h LYS 291 Ca -0.02 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.53 2vak h LYS 291 Cb 1.05 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.37 2vak h LYS 291 CO 0.96 0.03 -1.11 0.77 -0.57 0.00 0.00 179.45 179.53 2vak h SER 292 N 0.00 0.42 -0.88 0.86 0.02 -1.96 -1.39 113.55 110.62 2vak h SER 292 Ca -0.00 -0.89 0.18 0.00 -0.84 0.00 0.00 61.79 60.24 2vak h SER 292 Cb 0.15 -0.14 -0.11 0.00 0.14 0.00 0.00 62.40 62.45 2vak h SER 292 CO 0.00 1.50 0.43 -0.25 -1.14 0.00 0.00 176.83 177.38 2vak h TRP 293 N -0.35 0.73 -0.04 3.45 2.91 -1.88 0.13 115.95 120.90 2vak h TRP 293 Ca -0.23 0.04 -0.24 0.00 1.13 0.00 0.00 58.89 59.59 2vak h TRP 293 Cb 1.69 -0.19 0.01 0.00 -0.51 0.00 0.00 29.16 30.16 2vak h TRP 293 CO 0.16 0.08 -0.92 0.82 -1.03 0.00 0.00 178.44 177.55 2vak h ILE 294 N 0.53 1.32 -0.14 2.65 2.04 -1.46 -0.80 117.51 121.65 2vak h ILE 294 Ca 0.51 -2.22 -0.00 0.00 1.00 0.00 0.00 64.86 64.15 2vak h ILE 294 Cb 0.85 2.26 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 2vak h ILE 294 CO -0.44 0.68 0.07 0.00 0.00 0.00 0.00 178.15 178.47 2vak h ALA 295 N 0.58 0.18 -0.18 1.87 0.00 -0.82 -0.68 119.26 120.21 2vak h ALA 295 Ca -0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2vak h ALA 295 Cb 1.56 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 2vak h ALA 295 CO 0.18 -0.26 0.06 0.00 0.00 0.00 0.00 179.25 179.22 2vak h ALA 296 N 0.94 1.78 0.00 0.00 0.00 -0.65 -1.17 119.26 120.15 2vak h ALA 296 Ca 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2vak h ALA 296 Cb 0.11 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2vak h ALA 296 CO -0.01 0.18 -0.00 0.00 0.00 0.00 0.00 179.25 179.42 2vak h ALA 297 N 1.82 1.00 0.17 0.00 0.00 -0.86 -2.39 119.26 119.00 2vak h ALA 297 Ca 0.06 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.66 2vak h ALA 297 Cb 0.07 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.89 2vak h ALA 297 CO -0.01 0.00 -1.33 -0.91 0.00 0.00 0.00 179.25 177.01 2vak h ASN 298 N 0.00 0.81 -0.15 0.00 2.35 0.12 -3.09 115.58 115.62 2vak h ASN 298 Ca -0.00 -0.80 -0.03 0.00 -0.55 0.00 0.00 56.30 54.92 2vak h ASN 298 Cb 0.86 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 2vak h ASN 298 CO 0.00 1.61 -0.02 -0.07 -1.65 0.00 0.00 177.43 177.31 2vak h LEU 299 N 0.20 0.27 -0.87 1.61 3.38 -1.45 -2.82 115.31 115.63 2vak h LEU 299 Ca -0.21 -0.34 0.23 0.00 0.09 0.00 0.00 57.88 57.66 2vak h LEU 299 Cb 2.01 -0.07 -0.16 0.00 0.09 0.00 0.00 40.66 42.53 2vak h LEU 299 CO 0.25 0.55 -0.02 0.41 0.09 0.00 0.00 178.44 179.72 2vak n THR 300 N -4.73 -0.37 -0.19 0.22 -1.04 -0.90 -0.18 114.28 107.10 2vak n THR 300 Ca -0.05 1.93 -0.05 0.00 -2.04 0.00 0.00 64.05 63.83 2vak n THR 300 Cb 0.23 -2.79 0.13 0.00 -1.82 0.00 0.00 70.33 66.08 2vak n THR 300 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2vak h ALA 301 N 1.74 1.10 -0.29 2.41 0.00 -1.41 -0.17 119.26 122.63 2vak h ALA 301 Ca 0.51 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 2vak h ALA 301 Cb 1.02 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2vak h ALA 301 CO -0.83 0.60 -0.41 0.82 0.00 0.00 0.00 179.25 179.43 2vak h ILE 302 N 0.92 1.29 -0.21 0.00 2.04 -0.52 -2.02 117.51 119.03 2vak h ILE 302 Ca 0.20 -1.60 -0.00 0.00 1.00 0.00 0.00 64.86 64.45 2vak h ILE 302 Cb 0.33 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 2vak h ILE 302 CO 0.00 0.52 0.11 0.58 0.00 0.00 0.00 178.15 179.36 2vak h VAL 303 N 0.56 1.11 0.00 1.67 2.07 -0.36 -2.99 116.25 118.31 2vak h VAL 303 Ca 0.03 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2vak h VAL 303 Cb 1.01 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2vak h VAL 303 CO 0.10 0.11 -0.08 0.24 0.02 0.00 0.00 177.57 177.96 2vak h MET 304 N 0.22 0.00 -0.13 1.57 2.86 -1.10 -3.19 114.93 115.17 2vak h MET 304 Ca 0.07 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.58 2vak h MET 304 Cb 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2vak h MET 304 CO -0.01 0.08 -0.48 0.00 1.06 0.00 0.00 176.91 177.55 2vak h ALA 305 N 1.92 0.94 0.00 6.32 0.00 -1.21 -3.27 119.26 123.97 2vak h ALA 305 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2vak h ALA 305 Cb 0.81 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2vak h ALA 305 CO 0.01 0.65 -0.18 0.00 0.00 0.00 0.00 179.25 179.73 2vak s ARG 307 N -3.02 1.54 -0.52 0.00 1.70 -1.23 -2.39 118.95 115.03 2vak s ARG 307 Ca 0.12 -1.86 -0.22 0.00 -0.47 0.00 0.00 55.73 53.31 2vak s ARG 307 Cb 0.18 -0.37 0.05 0.00 -0.57 0.00 0.00 34.95 34.23 2vak s ARG 307 CO 0.60 -0.32 0.78 -0.65 -1.08 0.00 0.00 175.30 174.62 2vak s GLN 308 N -3.94 3.25 0.65 3.89 -1.52 -0.26 -4.16 119.66 117.56 2vak s GLN 308 Ca 0.36 -0.52 0.01 0.00 -1.95 0.00 0.00 55.36 53.26 2vak s GLN 308 Cb 0.07 -4.06 0.09 0.00 -0.22 0.00 0.00 33.01 28.89 2vak s GLN 308 CO 0.15 -1.32 0.90 -1.25 -0.25 0.00 0.00 175.29 173.52 2vak s PRO 309 N 3.27 2.04 0.51 2.91 0.04 -1.26 -4.63 135.00 137.88 2vak s PRO 309 Ca 0.23 -1.02 -0.20 0.00 0.04 0.00 0.00 61.00 60.05 2vak s PRO 309 Cb -0.15 -2.41 -0.10 0.00 0.04 0.00 0.00 34.50 31.88 2vak s PRO 309 CO 0.16 -1.14 0.67 -2.30 0.04 0.00 0.00 177.00 174.43 2vak n PRO 310 N -2.61 0.72 -3.07 0.56 -0.02 -1.26 -4.93 135.00 124.39 2vak n PRO 310 Ca 0.12 0.27 -0.40 0.00 -2.02 0.00 0.00 63.50 61.47 2vak n PRO 310 Cb 0.60 -1.76 -0.05 0.00 -0.02 0.00 0.00 33.50 32.27 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 -1.55 5.02 0.43 -1.45 1.01 -1.26 -4.95 120.40 117.64 2vak s VAL 311 Ca 0.67 1.34 -0.24 0.00 0.00 0.00 0.00 61.98 63.75 2vak s VAL 311 Cb -0.50 -4.00 -0.08 0.00 0.00 0.00 0.00 36.38 31.80 2vak s VAL 311 CO 0.55 0.16 1.22 -0.36 0.00 0.00 0.00 175.10 176.67 2vak s PHE 312 N 1.46 2.87 0.25 5.22 0.08 -0.01 -0.63 117.98 127.22 2vak s PHE 312 Ca 0.33 1.49 -0.30 0.00 0.12 0.00 0.00 56.93 58.58 2vak s PHE 312 Cb -0.17 -3.50 -0.10 0.00 -0.57 0.00 0.00 43.02 38.68 2vak s PHE 312 CO 0.13 -1.72 1.47 0.00 -0.10 0.00 0.00 175.22 175.00 2vak s ALA 313 N -1.40 3.66 0.43 5.36 0.00 -0.02 -0.12 121.76 129.66 2vak s ALA 313 Ca 0.60 1.37 0.19 0.00 0.00 0.00 0.00 51.96 54.12 2vak s ALA 313 Cb -0.33 -3.58 1.13 0.00 0.00 0.00 0.00 23.12 20.35 2vak s ALA 313 CO 0.41 -0.78 1.84 -0.91 0.00 0.00 0.00 175.76 176.32 2vak h ASN 314 N 5.15 0.37 0.54 0.00 2.35 -1.29 -0.28 115.58 122.43 2vak h ASN 314 Ca -0.46 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 2vak h ASN 314 Cb 1.22 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.56 2vak h ASN 314 CO 0.79 0.13 -0.10 0.00 -1.65 0.00 0.00 177.43 176.60 2vak n GLN 315 N -4.50 0.43 0.00 0.81 10.64 -1.26 -2.83 117.38 120.67 2vak n GLN 315 Ca 0.20 -0.11 0.14 0.00 -1.83 0.00 0.00 57.00 55.41 2vak n GLN 315 Cb 0.76 -1.50 0.63 0.00 -0.86 0.00 0.00 30.24 29.28 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 1.34 -0.29 3.27 2.61 0.00 -0.12 -4.91 105.19 107.10 2vak n GLY 316 Ca 0.12 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.02 1.00 0.71 1.61 -7.23 -1.13 -4.57 120.40 108.77 2vak s VAL 317 Ca 0.40 -2.03 -0.13 0.00 -1.81 0.00 0.00 61.98 58.41 2vak s VAL 317 Cb 0.21 -2.07 0.03 0.00 0.56 0.00 0.00 36.38 35.11 2vak s VAL 317 CO 0.35 -0.55 1.12 0.27 -0.31 0.00 0.00 175.10 175.98 2vak s ILE 318 N -3.44 3.10 0.26 -0.62 -4.36 0.13 -4.86 121.20 111.40 2vak s ILE 318 Ca 0.22 0.46 -0.11 0.00 -0.26 0.00 0.00 60.65 60.96 2vak s ILE 318 Cb 0.04 -2.95 0.37 0.00 1.25 0.00 0.00 42.46 41.18 2vak s ILE 318 CO 0.04 -0.37 1.57 0.78 0.24 0.00 0.00 174.94 177.20 2vak h ASN 319 N -0.43 -1.00 0.57 4.36 2.35 -1.91 -0.29 115.58 119.22 2vak h ASN 319 Ca -0.46 0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2vak h ASN 319 Cb 1.25 0.62 0.00 0.00 0.05 0.00 0.00 38.32 40.24 2vak h ASN 319 CO 0.52 -0.31 0.00 0.00 -1.65 0.00 0.00 177.43 176.00 2vak n GLN 320 N -5.56 0.13 -0.06 0.81 3.00 -1.26 -1.59 117.38 112.84 2vak n GLN 320 Ca 0.13 0.40 0.12 0.00 -0.01 0.00 0.00 57.00 57.64 2vak n GLN 320 Cb 0.45 -1.76 0.23 0.00 0.00 0.00 0.00 30.24 29.16 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 -1.69 2.48 -1.94 -1.58 0.00 -0.13 -4.89 120.51 112.75 2vak n ALA 321 Ca 0.02 -0.71 -0.32 0.00 0.00 0.00 0.00 53.44 52.43 2vak n ALA 321 Cb 0.19 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.85 4.00 -1.46 0.00 -0.21 -0.62 -4.15 119.66 115.37 2vak s GLN 322 Ca 0.33 0.87 -0.11 0.00 0.02 0.00 0.00 55.36 56.47 2vak s GLN 322 Cb 0.21 -2.24 0.06 0.00 1.00 0.00 0.00 33.01 32.03 2vak s GLN 322 CO 0.31 -0.10 1.03 0.09 -2.12 0.00 0.00 175.29 174.50 2vak n ASN 323 N -1.09 -4.98 -4.56 5.90 3.02 -1.25 -4.98 115.26 107.32 2vak n ASN 323 Ca 0.05 -0.71 -0.41 0.00 -0.03 0.00 0.00 54.58 53.49 2vak n ASN 323 Cb 0.54 -4.27 -0.09 0.00 -0.61 0.00 0.00 39.78 35.35 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 -6.46 3.65 -0.34 3.52 6.06 -1.21 -4.98 118.95 119.19 2vak s ARG 324 Ca 0.58 -0.24 -0.37 0.00 -2.50 0.00 0.00 55.73 53.20 2vak s ARG 324 Cb -0.28 -3.79 -0.13 0.00 0.06 0.00 0.00 34.95 30.81 2vak s ARG 324 CO 0.80 -0.54 2.10 -2.30 -2.50 0.00 0.00 175.30 172.85 2vak n PRO 325 N 5.53 1.01 -0.02 5.12 -0.02 -1.26 -0.79 135.00 144.58 2vak n PRO 325 Ca -0.07 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2vak n PRO 325 Cb 0.49 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 6.20 0.49 0.62 -1.23 0.00 -1.26 -4.86 105.19 105.14 2vak n GLY 326 Ca 0.40 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.87 1.61 7.35 0.03 -4.70 117.46 115.88 2vak n PHE 327 Ca 0.00 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.58 2vak n PHE 327 Cb 0.00 -0.35 -0.09 0.00 0.35 0.00 0.00 39.48 39.39 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 -5.74 0.05 0.15 -2.13 1.04 -0.43 -0.83 113.70 105.81 2vak s SER 328 Ca -0.13 -0.29 -0.22 0.00 0.48 0.00 0.00 55.95 55.79 2vak s SER 328 Cb 0.05 0.23 0.06 0.00 0.10 0.00 0.00 66.02 66.46 2vak s SER 328 CO 0.17 -0.43 0.57 0.00 0.98 0.00 0.00 173.24 174.53 2vak s MET 329 N -1.82 1.24 0.12 4.02 0.23 0.83 -3.29 119.30 120.65 2vak s MET 329 Ca -0.11 -0.50 -0.31 0.00 -1.03 0.00 0.00 55.69 53.73 2vak s MET 329 Cb -0.05 0.57 -0.08 0.00 -1.53 0.00 0.00 34.83 33.74 2vak s MET 329 CO -0.00 -0.53 1.40 -0.80 -2.03 0.00 0.00 175.02 173.05 2vak s ASN 330 N -2.75 6.81 -0.08 -1.18 0.01 -1.26 -0.74 114.94 115.74 2vak s ASN 330 Ca 0.01 2.35 0.00 0.00 -0.71 0.00 0.00 52.86 54.51 2vak s ASN 330 Cb -0.01 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.07 2vak s ASN 330 CO -0.13 -0.66 0.00 0.61 -1.51 0.00 0.00 177.10 175.41 2vak n GLY 331 N 3.46 0.35 0.00 0.66 0.00 -1.26 -4.96 105.19 103.44 2vak n GLY 331 Ca 0.11 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.32 -0.56 3.68 -0.02 0.00 -1.19 -4.94 105.19 100.85 2vak n GLY 332 Ca -0.01 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 2vak n GLY 332 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vak s THR 333 N -0.57 3.98 0.45 2.61 2.01 0.20 -4.25 115.64 120.07 2vak s THR 333 Ca 0.00 1.31 -0.25 0.00 0.31 0.00 0.00 61.69 63.07 2vak s THR 333 Cb 0.00 -3.85 -0.09 0.00 0.01 0.00 0.00 72.50 68.58 2vak s THR 333 CO 0.00 -0.02 1.29 -2.65 -0.69 0.00 0.00 174.62 172.55 2vak n PRO 334 N 5.53 1.90 -3.18 4.92 -0.02 -1.26 -0.84 135.00 142.06 2vak n PRO 334 Ca 0.13 0.68 -0.43 0.00 -2.02 0.00 0.00 63.50 61.86 2vak n PRO 334 Cb 0.45 -2.43 -0.07 0.00 -0.02 0.00 0.00 33.50 31.43 2vak n PRO 334 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2vak s VAL 335 N -1.22 4.91 0.50 -1.45 1.01 -1.26 -4.12 120.40 118.76 2vak s VAL 335 Ca 0.63 -0.10 -0.18 0.00 0.00 0.00 0.00 61.98 62.33 2vak s VAL 335 Cb -0.49 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 31.64 2vak s VAL 335 CO 0.56 -0.57 0.99 -1.00 0.00 0.00 0.00 175.10 175.08 2vak s HIS 336 N 2.60 3.33 -0.00 5.22 3.76 0.32 -4.90 115.29 125.62 2vak s HIS 336 Ca 0.19 1.51 0.05 0.00 -0.15 0.00 0.00 55.06 56.66 2vak s HIS 336 Cb -0.16 -2.85 -0.01 0.00 1.11 0.00 0.00 32.58 30.67 2vak s HIS 336 CO 0.17 -0.43 -0.16 -1.83 -0.85 0.00 0.00 174.74 171.64 2vak s GLU 337 N -3.80 1.26 -0.15 1.40 -1.05 -1.26 0.54 118.70 115.64 2vak s GLU 337 Ca 0.61 -0.61 0.01 0.00 -0.15 0.00 0.00 54.97 54.83 2vak s GLU 337 Cb -0.11 -1.23 0.01 0.00 -0.44 0.00 0.00 34.13 32.35 2vak s GLU 337 CO 0.27 0.33 -0.19 -0.51 0.95 0.00 0.00 175.26 176.11 2vak s LEU 338 N -0.51 2.27 -0.08 1.83 1.43 0.83 -3.68 118.68 120.77 2vak s LEU 338 Ca 0.06 -0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 52.31 2vak s LEU 338 Cb -0.06 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 2vak s LEU 338 CO -0.00 0.08 1.07 0.21 0.23 0.00 0.00 176.35 177.93 2vak s ASN 339 N 0.85 7.19 0.30 2.29 3.84 -1.26 0.25 114.94 128.39 2vak s ASN 339 Ca -0.06 1.64 0.13 0.00 0.21 0.00 0.00 52.86 54.79 2vak s ASN 339 Cb -0.15 -2.56 0.42 0.00 -0.55 0.00 0.00 41.25 38.41 2vak s ASN 339 CO -0.02 -0.48 1.62 -0.07 -2.79 0.00 0.00 177.10 175.37 2vak h LEU 340 N 7.96 0.00 -0.08 3.21 3.38 -1.95 -1.68 115.31 126.15 2vak h LEU 340 Ca -0.33 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.56 2vak h LEU 340 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2vak h LEU 340 CO 0.86 0.55 -0.27 0.25 0.09 0.00 0.00 178.44 179.92 2vak h LEU 341 N 0.00 0.38 -0.80 1.67 5.85 -1.97 -1.71 115.31 118.73 2vak h LEU 341 Ca -0.01 -0.62 0.14 0.00 0.84 0.00 0.00 57.88 58.23 2vak h LEU 341 Cb 1.09 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.92 2vak h LEU 341 CO 0.07 0.93 0.37 0.74 -0.34 0.00 0.00 178.44 180.21 2vak h THR 342 N -0.16 0.71 -0.24 1.05 2.02 -1.96 -0.55 112.91 113.79 2vak h THR 342 Ca -0.01 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 2vak h THR 342 Cb 0.90 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2vak h THR 342 CO 0.06 0.10 0.13 0.74 0.37 0.00 0.00 175.52 176.92 2vak h THR 343 N 0.55 1.11 -0.60 3.16 2.02 -1.29 -1.57 112.91 116.29 2vak h THR 343 Ca 0.43 -0.29 0.06 0.00 0.77 0.00 0.00 66.41 67.38 2vak h THR 343 Cb 0.61 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 2vak h THR 343 CO -0.37 0.11 0.31 0.00 0.37 0.00 0.00 175.52 175.94 2vak h ALA 344 N 1.02 0.80 -0.67 6.16 0.00 -1.00 0.16 119.26 125.73 2vak h ALA 344 Ca 0.09 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.09 2vak h ALA 344 Cb 0.06 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 2vak h ALA 344 CO -0.01 -0.03 0.36 1.96 0.00 0.00 0.00 179.25 181.52 2vak h GLN 345 N 0.58 0.64 -0.17 0.00 4.20 -0.84 -1.80 115.11 117.72 2vak h GLN 345 Ca 0.27 -0.04 -0.22 0.00 0.06 0.00 0.00 58.65 58.73 2vak h GLN 345 Cb 0.20 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 27.84 2vak h GLN 345 CO -0.19 0.42 -0.76 0.93 -0.67 0.00 0.00 178.83 178.56 2vak h GLU 346 N 0.66 0.81 -0.27 1.46 4.39 -0.93 -2.61 114.58 118.08 2vak h GLU 346 Ca 0.30 -0.64 0.02 0.00 0.34 0.00 0.00 59.36 59.38 2vak h GLU 346 Cb 0.22 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 2vak h GLU 346 CO -0.20 1.25 0.13 0.00 -1.16 0.00 0.00 179.01 179.03 2vak h ILE 348 N 0.27 1.16 -0.35 0.00 2.04 -1.33 -1.43 117.51 117.87 2vak h ILE 348 Ca 0.11 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.72 2vak h ILE 348 Cb 0.05 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.31 2vak h ILE 348 CO -0.09 0.16 0.13 -0.09 0.00 0.00 0.00 178.15 178.26 2vak h ARG 349 N 0.87 0.27 -0.61 2.37 2.43 -1.29 -1.22 114.38 117.20 2vak h ARG 349 Ca 0.23 -0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.49 2vak h ARG 349 Cb -0.10 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.31 2vak h ARG 349 CO -0.05 0.18 0.21 1.96 -1.51 0.00 0.00 179.97 180.76 2vak h GLN 350 N 0.28 0.37 -0.66 0.20 1.08 -0.63 -1.59 115.11 114.15 2vak h GLN 350 Ca 0.16 -0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.40 2vak h GLN 350 Cb 0.13 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.43 2vak h GLN 350 CO -0.16 0.25 0.44 -1.49 -0.95 0.00 0.00 178.83 176.92 2vak h TRP 351 N 0.38 0.65 0.25 2.96 6.55 -0.62 -1.64 115.95 124.48 2vak h TRP 351 Ca 0.31 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 60.15 2vak h TRP 351 Cb 0.40 -0.22 0.00 0.00 -0.86 0.00 0.00 29.16 28.48 2vak h TRP 351 CO -0.18 0.34 -0.12 0.28 -1.05 0.00 0.00 178.44 177.71 2vak h VAL 352 N 0.64 0.70 -0.39 1.49 2.07 -0.50 0.82 116.25 121.08 2vak h VAL 352 Ca 0.29 -0.85 0.11 0.00 0.82 0.00 0.00 66.70 67.07 2vak h VAL 352 Cb 0.31 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2vak h VAL 352 CO -0.09 0.15 0.33 0.24 0.02 0.00 0.00 177.57 178.22 2vak h MET 353 N -0.85 0.00 -0.00 1.57 2.86 -1.24 0.95 114.93 118.22 2vak h MET 353 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2vak h MET 353 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2vak h MET 353 CO 0.06 0.00 -0.15 0.00 1.06 0.00 0.00 176.91 177.87 2vak n ALA 354 N -2.49 2.85 -0.97 6.32 0.00 -0.63 -4.91 120.51 120.68 2vak n ALA 354 Ca 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2vak n ALA 354 Cb 0.51 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.68 2vak n ALA 354 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vak n GLY 355 N 1.31 0.87 0.19 0.00 0.00 0.33 -4.90 105.19 102.99 2vak n GLY 355 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.15 -8.51 0.99 3.38 -1.04 -3.44 115.31 106.83 2vak h LEU 356 Ca 0.00 -0.06 -0.30 0.00 0.09 0.00 0.00 57.88 57.61 2vak h LEU 356 Cb 0.00 -0.04 -0.16 0.00 0.09 0.00 0.00 40.66 40.55 2vak h LEU 356 CO 0.00 0.51 -0.72 0.68 0.09 0.00 0.00 178.44 179.01 2vak s VAL 357 N -4.20 0.97 0.97 1.22 -7.23 -1.04 -5.01 120.40 106.07 2vak s VAL 357 Ca -0.04 -1.83 -0.12 0.00 -1.81 0.00 0.00 61.98 58.18 2vak s VAL 357 Cb 0.14 -1.58 0.17 0.00 0.56 0.00 0.00 36.38 35.67 2vak s VAL 357 CO 0.75 -0.68 1.09 -0.94 -0.31 0.00 0.00 175.10 175.01 2vak s SER 358 N -2.80 2.77 0.52 4.85 1.04 -1.26 -4.45 113.70 114.38 2vak s SER 358 Ca 0.10 1.59 0.20 0.00 0.48 0.00 0.00 55.95 58.32 2vak s SER 358 Cb 0.00 -2.25 1.36 0.00 0.10 0.00 0.00 66.02 65.24 2vak s SER 358 CO -0.01 -3.09 2.14 0.00 0.98 0.00 0.00 173.24 173.26 2vak h ALA 359 N -1.86 1.79 0.04 5.32 0.00 -1.99 -0.77 119.26 121.79 2vak h ALA 359 Ca -0.51 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.05 2vak h ALA 359 Cb 1.29 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2vak h ALA 359 CO 0.52 0.06 -1.67 0.00 0.00 0.00 0.00 179.25 178.15 2vak n ALA 360 N -2.47 0.88 -0.09 0.00 0.00 -1.26 -2.69 120.51 114.87 2vak n ALA 360 Ca -0.03 -0.59 0.08 0.00 0.00 0.00 0.00 53.44 52.90 2vak n ALA 360 Cb 0.13 -0.53 0.44 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.59 0.53 -0.17 0.00 3.64 -1.93 0.13 116.57 118.18 2vak h LYS 361 Ca -0.41 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 58.95 2vak h LYS 361 Cb 1.61 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.29 2vak h LYS 361 CO -0.12 0.35 0.07 0.78 -2.27 0.00 0.00 179.45 178.26 2vak h GLY 362 N 0.55 0.21 1.01 5.01 0.00 -1.21 -0.89 103.07 107.75 2vak h GLY 362 Ca 0.26 -0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.55 2vak h GLY 362 CO -0.08 0.04 0.53 1.46 0.00 0.00 0.00 176.54 178.49 2vak h GLN 363 N 0.16 1.06 -0.83 4.80 4.20 -1.21 0.82 115.11 124.11 2vak h GLN 363 Ca 0.07 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2vak h GLN 363 Cb 0.02 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 27.53 2vak h GLN 363 CO -0.06 0.71 0.47 0.00 -0.67 0.00 0.00 178.83 179.28 2vak h ALA 364 N 1.29 1.26 -0.17 3.87 0.00 -0.83 -0.48 119.26 124.21 2vak h ALA 364 Ca 0.29 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2vak h ALA 364 Cb -0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 2vak h ALA 364 CO -0.06 0.61 -0.02 -0.07 0.00 0.00 0.00 179.25 179.70 2vak h LEU 365 N 1.16 0.31 -1.31 0.00 3.38 -0.86 -2.03 115.31 115.96 2vak h LEU 365 Ca 0.30 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.97 2vak h LEU 365 Cb -0.00 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 2vak h LEU 365 CO -0.05 0.58 0.50 0.74 0.09 0.00 0.00 178.44 180.30 2vak h THR 366 N 0.03 1.07 0.06 0.22 2.02 -0.64 -1.12 112.91 114.56 2vak h THR 366 Ca 0.04 -0.30 -0.24 0.00 0.77 0.00 0.00 66.41 66.69 2vak h THR 366 Cb 0.44 0.13 0.02 0.00 -1.74 0.00 0.00 68.15 67.00 2vak h THR 366 CO 0.01 0.16 -0.97 -0.61 0.37 0.00 0.00 175.52 174.48 2vak h GLN 367 N 0.86 0.55 -0.74 6.66 5.75 -1.10 -2.02 115.11 125.06 2vak h GLN 367 Ca 0.31 -0.67 0.10 0.00 -0.15 0.00 0.00 58.65 58.24 2vak h GLN 367 Cb 0.15 0.21 -0.05 0.00 1.07 0.00 0.00 27.48 28.86 2vak h GLN 367 CO -0.10 1.28 0.49 0.93 -2.65 0.00 0.00 178.83 178.77 2vak h GLU 368 N 0.12 0.62 -0.07 1.69 5.08 -1.17 0.22 114.58 121.06 2vak h GLU 368 Ca -0.14 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.03 2vak h GLU 368 Cb 1.67 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.79 2vak h GLU 368 CO 0.19 0.41 -0.55 0.00 -1.00 0.00 0.00 179.01 178.05 2vak h ALA 369 N 1.63 0.16 -0.35 3.43 0.00 -1.18 -2.65 119.26 120.30 2vak h ALA 369 Ca 0.34 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2vak h ALA 369 Cb 0.48 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2vak h ALA 369 CO -0.12 0.39 0.21 -0.91 0.00 0.00 0.00 179.25 178.82 2vak h ASN 370 N 0.08 0.41 -0.78 0.00 2.35 -0.92 -1.38 115.58 115.35 2vak h ASN 370 Ca -0.05 -0.05 0.05 0.00 -0.55 0.00 0.00 56.30 55.71 2vak h ASN 370 Cb 1.22 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 39.43 2vak h ASN 370 CO 0.11 0.34 0.47 0.44 -1.65 0.00 0.00 177.43 177.15 2vak h ASP 371 N 0.45 0.75 -0.12 5.81 3.45 -0.64 -1.41 116.42 124.71 2vak h ASP 371 Ca 0.12 0.01 -0.19 0.00 0.43 0.00 0.00 57.03 57.41 2vak h ASP 371 Cb -0.00 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.63 2vak h ASP 371 CO -0.02 0.49 -0.64 0.15 -1.57 0.00 0.00 179.24 177.65 2vak h PHE 372 N 0.88 0.95 -0.51 4.55 3.57 -1.31 -2.79 116.94 122.29 2vak h PHE 372 Ca 0.33 -0.37 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 2vak h PHE 372 Cb 0.13 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 2vak h PHE 372 CO -0.04 1.18 0.11 1.03 -2.23 0.00 0.00 178.31 178.35 2vak h SER 373 N 0.54 0.78 -0.57 0.41 0.87 -0.99 0.20 113.55 114.79 2vak h SER 373 Ca -0.01 -0.24 0.08 0.00 -1.23 0.00 0.00 61.79 60.38 2vak h SER 373 Cb 1.24 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 2vak h SER 373 CO 0.13 0.82 0.38 0.78 -0.53 0.00 0.00 176.83 178.41 2vak h ASN 374 N 0.71 0.41 0.06 6.23 2.35 -1.27 0.38 115.58 124.45 2vak h ASN 374 Ca 0.16 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2vak h ASN 374 Cb 0.35 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2vak h ASN 374 CO 0.00 0.26 -0.03 0.25 -1.65 0.00 0.00 177.43 176.27 2vak h LEU 375 N 0.46 -0.07 -1.04 1.61 6.46 -1.12 -2.95 115.31 118.66 2vak h LEU 375 Ca 0.25 -0.57 -0.09 0.00 -0.12 0.00 0.00 57.88 57.35 2vak h LEU 375 Cb 0.39 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 2vak h LEU 375 CO -0.07 0.61 -0.33 0.40 -0.62 0.00 0.00 178.44 178.43 2vak h ILE 376 N -0.82 1.28 -0.31 4.05 1.08 -0.82 -0.95 117.51 121.01 2vak h ILE 376 Ca -0.01 -1.33 -0.01 0.00 -0.39 0.00 0.00 64.86 63.12 2vak h ILE 376 Cb 0.63 1.54 -0.01 0.00 -3.07 0.00 0.00 36.82 35.91 2vak h ILE 376 CO 0.01 0.40 0.17 -0.61 -0.69 0.00 0.00 178.15 177.43 2vak h GLN 377 N 0.23 0.44 -0.54 2.37 4.15 -1.03 -1.06 115.11 119.67 2vak h GLN 377 Ca 0.03 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 2vak h GLN 377 Cb 0.70 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.28 2vak h GLN 377 CO 0.05 0.38 0.19 0.00 -1.93 0.00 0.00 178.83 177.52 2vak h ALA 378 N 1.03 0.70 -0.59 3.38 0.00 -1.29 -0.72 119.26 121.77 2vak h ALA 378 Ca 0.11 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2vak h ALA 378 Cb 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2vak h ALA 378 CO -0.02 0.34 0.09 -0.44 0.00 0.00 0.00 179.25 179.22 2vak h ASP 379 N 0.74 0.95 0.66 0.00 5.19 -1.03 -2.55 116.42 120.37 2vak h ASP 379 Ca 0.18 -0.27 -0.20 0.00 -0.62 0.00 0.00 57.03 56.12 2vak h ASP 379 Cb 0.24 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 2vak h ASP 379 CO -0.01 0.97 -0.89 -0.07 -3.12 0.00 0.00 179.24 176.12 2vak h LEU 380 N 0.89 0.20 -0.98 1.55 3.38 -1.18 -2.81 115.31 116.37 2vak h LEU 380 Ca 0.18 -0.17 0.15 0.00 0.09 0.00 0.00 57.88 58.13 2vak h LEU 380 Cb 0.44 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.03 2vak h LEU 380 CO 0.01 0.99 0.60 1.23 0.09 0.00 0.00 178.44 181.36 2vak h GLY 381 N 2.02 1.66 0.88 0.83 0.00 -1.01 0.14 103.07 107.58 2vak h GLY 381 Ca -0.04 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 2vak h GLY 381 CO 0.13 0.05 0.02 1.46 0.00 0.00 0.00 176.54 178.21 2vak h GLN 382 N 0.86 0.08 -0.31 4.80 1.08 -1.30 -0.16 115.11 120.15 2vak h GLN 382 Ca 0.52 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.69 2vak h GLN 382 Cb 0.65 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.06 2vak h GLN 382 CO -0.32 0.18 0.10 0.82 -0.95 0.00 0.00 178.83 178.66 2vak h ILE 383 N -0.05 1.20 -0.26 2.54 2.04 -1.19 -0.66 117.51 121.13 2vak h ILE 383 Ca 0.02 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 65.28 2vak h ILE 383 Cb 0.13 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2vak h ILE 383 CO -0.00 0.22 0.05 0.50 0.00 0.00 0.00 178.15 178.92 2vak h LYS 384 N 0.35 0.15 -0.67 2.37 3.64 -0.73 0.12 116.57 121.79 2vak h LYS 384 Ca 0.10 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2vak h LYS 384 Cb 0.23 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 2vak h LYS 384 CO -0.00 0.10 0.43 0.00 -2.27 0.00 0.00 179.45 177.71 2vak h ALA 385 N 1.19 0.85 -0.09 5.00 0.00 -0.66 0.12 119.26 125.67 2vak h ALA 385 Ca 0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2vak h ALA 385 Cb 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2vak h ALA 385 CO -0.16 0.29 -0.19 1.96 0.00 0.00 0.00 179.25 181.15 2vak h GLN 386 N 0.91 0.29 -0.21 0.00 4.20 -1.06 -2.38 115.11 116.86 2vak h GLN 386 Ca 0.24 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 2vak h GLN 386 Cb -0.09 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2vak h GLN 386 CO -0.05 0.78 0.09 -0.44 -0.67 0.00 0.00 178.83 178.54 2vak h ASP 387 N -0.17 0.28 -0.01 1.46 5.19 -0.84 -1.13 116.42 121.20 2vak h ASP 387 Ca 0.00 -0.15 0.03 0.00 -0.62 0.00 0.00 57.03 56.30 2vak h ASP 387 Cb 0.78 -0.07 -0.06 0.00 0.18 0.00 0.00 39.33 40.16 2vak h ASP 387 CO 0.04 0.35 -0.39 0.44 -3.12 0.00 0.00 179.24 176.56 2vak h ASP 388 N 0.19 -1.20 -0.27 6.45 3.45 -0.84 0.67 116.42 124.87 2vak h ASP 388 Ca 0.07 0.15 0.06 0.00 0.43 0.00 0.00 57.03 57.73 2vak h ASP 388 Cb 0.15 0.47 -0.05 0.00 -0.56 0.00 0.00 39.33 39.34 2vak h ASP 388 CO -0.01 -0.44 -0.08 0.00 -1.57 0.00 0.00 179.24 177.15 2vak h ALA 389 N 0.05 0.17 -0.21 3.45 0.00 -1.32 -2.45 119.26 118.95 2vak h ALA 389 Ca 0.05 0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.88 2vak h ALA 389 Cb 0.63 0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.65 2vak h ALA 389 CO -0.31 -0.48 -0.63 -0.07 0.00 0.00 0.00 179.25 177.76 2vak h LEU 390 N -0.02 0.92 -0.74 0.00 3.38 -1.08 -0.21 115.31 117.57 2vak h LEU 390 Ca 0.13 -0.58 0.04 0.00 0.09 0.00 0.00 57.88 57.56 2vak h LEU 390 Cb 0.22 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 2vak h LEU 390 CO -0.29 1.34 0.47 0.22 0.09 0.00 0.00 178.44 180.27 2vak h TYR 391 N 0.55 0.87 -0.17 1.13 5.03 -0.82 0.24 116.97 123.81 2vak h TYR 391 Ca -0.02 0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.24 2vak h TYR 391 Cb 1.25 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 39.23 2vak h TYR 391 CO 0.08 0.49 -0.24 -0.97 -1.32 0.00 0.00 178.16 176.20 2vak h ASN 392 N 0.90 0.30 0.00 -2.11 -1.24 -1.28 -3.38 115.58 108.77 2vak h ASN 392 Ca 0.30 -0.09 -0.04 0.00 0.71 0.00 0.00 56.30 57.18 2vak h ASN 392 Cb 0.04 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 2vak h ASN 392 CO -0.12 0.54 -1.49 0.00 -1.29 0.00 0.00 177.43 175.08 2vak n GLN 393 N -4.16 0.87 -4.05 6.67 6.02 -0.10 -4.97 117.38 117.66 2vak n GLN 393 Ca -0.01 -0.07 -0.31 0.00 -0.01 0.00 0.00 57.00 56.61 2vak n GLN 393 Cb 0.36 -1.23 -0.16 0.00 1.02 0.00 0.00 30.24 30.23 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 -2.55 2.48 0.24 -1.09 -0.44 0.81 -5.05 119.66 114.05 2vak s GLN 394 Ca -0.04 -0.63 -0.30 0.00 -2.50 0.00 0.00 55.36 51.90 2vak s GLN 394 Cb 0.05 -2.23 -0.09 0.00 -1.64 0.00 0.00 33.01 29.11 2vak s GLN 394 CO 0.39 -0.23 1.07 -2.14 0.50 0.00 0.00 175.29 174.89 2vak s PRO 395 N 1.43 4.66 0.00 1.67 0.02 -1.26 -3.27 135.00 138.25 2vak s PRO 395 Ca 0.05 1.72 0.00 0.00 0.02 0.00 0.00 61.00 62.79 2vak s PRO 395 Cb -0.13 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.16 2vak s PRO 395 CO -0.11 0.22 0.00 0.41 -0.33 0.00 0.00 177.00 177.19 2vak n GLY 396 N 1.52 0.70 3.70 0.52 0.00 -1.26 -5.04 105.19 105.33 2vak n GLY 396 Ca -0.00 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.00 3.53 -0.31 1.61 5.04 -1.20 -4.62 117.35 119.41 2vak s TYR 397 Ca 0.00 1.53 -0.16 0.00 -2.44 0.00 0.00 57.07 56.00 2vak s TYR 397 Cb 0.00 -3.24 -0.02 0.00 0.35 0.00 0.00 41.96 39.05 2vak s TYR 397 CO 0.00 -0.49 0.44 0.00 -1.34 0.00 0.00 175.55 174.16 2vak s ALA 398 N 1.30 3.53 0.53 3.97 0.00 -1.26 -3.89 121.76 125.94 2vak s ALA 398 Ca 0.53 -0.91 -0.22 0.00 0.00 0.00 0.00 51.96 51.37 2vak s ALA 398 Cb -0.23 -2.86 -0.05 0.00 0.00 0.00 0.00 23.12 19.98 2vak s ALA 398 CO 0.26 -0.92 1.33 1.03 0.00 0.00 0.00 175.76 177.46 2vak s ARG 399 N 2.21 3.26 -0.04 0.00 0.52 -0.59 -4.97 118.95 119.34 2vak s ARG 399 Ca 0.17 2.16 0.19 0.00 -0.52 0.00 0.00 55.73 57.72 2vak s ARG 399 Cb -0.16 -2.29 -0.22 0.00 0.52 0.00 0.00 34.95 32.80 2vak s ARG 399 CO 0.11 -1.07 0.51 0.54 0.02 0.00 0.00 175.30 175.41 2vak n ARG 400 N -0.91 0.65 -4.03 3.54 1.74 -1.26 -4.92 116.66 111.47 2vak n ARG 400 Ca 0.10 0.04 -0.10 0.00 -0.77 0.00 0.00 57.85 57.12 2vak n ARG 400 Cb 0.45 -1.65 -0.07 0.00 -1.02 0.00 0.00 32.46 30.17 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 -2.95 0.04 0.25 0.55 -4.36 -1.26 -4.37 121.20 109.10 2vak s ILE 401 Ca -0.06 -1.56 -0.30 0.00 -0.26 0.00 0.00 60.65 58.47 2vak s ILE 401 Cb 0.09 -2.06 -0.10 0.00 1.25 0.00 0.00 42.46 41.64 2vak s ILE 401 CO 0.84 -0.19 1.40 -0.75 0.24 0.00 0.00 174.94 176.48 2vak s LYS 402 N -4.02 4.30 0.33 0.37 2.20 -1.26 -4.95 119.74 116.70 2vak s LYS 402 Ca 0.23 2.25 -0.26 0.00 -0.36 0.00 0.00 55.97 57.83 2vak s LYS 402 Cb 0.04 -3.12 -0.13 0.00 -1.51 0.00 0.00 37.83 33.11 2vak s LYS 402 CO 0.04 -0.36 0.91 -2.30 -0.36 0.00 0.00 175.35 173.28 2vak n PRO 403 N 2.16 1.15 -4.21 4.03 -0.02 -1.26 -5.01 135.00 131.84 2vak n PRO 403 Ca 0.06 0.41 -0.12 0.00 -2.02 0.00 0.00 63.50 61.82 2vak n PRO 403 Cb 0.41 -1.78 -0.10 0.00 -0.02 0.00 0.00 33.50 32.01 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 -1.16 1.19 0.05 6.00 -0.71 -1.26 -5.00 117.98 117.09 2vak s PHE 404 Ca 0.60 -1.34 0.06 0.00 -1.04 0.00 0.00 56.93 55.21 2vak s PHE 404 Cb -0.67 -0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 40.50 2vak s PHE 404 CO 0.59 -0.58 -0.11 0.14 -1.34 0.00 0.00 175.22 173.91 2vak s VAL 405 N -4.09 3.30 0.45 -2.49 -7.23 -1.26 -5.03 120.40 104.04 2vak s VAL 405 Ca 0.37 -1.06 0.19 0.00 -1.81 0.00 0.00 61.98 59.67 2vak s VAL 405 Cb 0.07 -2.46 0.22 0.00 0.56 0.00 0.00 36.38 34.77 2vak s VAL 405 CO 0.11 0.28 2.03 0.78 -0.31 0.00 0.00 175.10 178.00 2vak h ASN 406 N 4.22 0.00 0.00 4.85 2.35 -2.03 -0.96 115.58 124.02 2vak h ASN 406 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 2vak h ASN 406 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.53 2vak h ASN 406 CO 0.51 0.15 0.19 0.61 -1.65 0.00 0.00 177.43 177.25 2vak n GLY 407 N -0.95 -0.62 0.00 2.83 0.00 -1.26 -2.26 105.19 102.93 2vak n GLY 407 Ca -0.02 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.22 2vak n GLY 407 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vak n ASP 408 N -1.94 0.00 0.01 1.61 8.00 -0.36 -2.72 116.55 121.15 2vak n ASP 408 Ca -0.01 -0.36 0.11 0.00 0.71 0.00 0.00 54.79 55.24 2vak n ASP 408 Cb 0.21 -0.15 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 2vak n ASP 408 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2vak n TRP 409 N -1.15 0.13 -0.83 1.24 7.02 -0.96 -3.59 117.44 119.31 2vak n TRP 409 Ca 0.14 0.04 -0.30 0.00 -1.02 0.00 0.00 57.50 56.36 2vak n TRP 409 Cb 0.13 -0.32 0.18 0.00 -2.42 0.00 0.00 31.31 28.89 2vak n TRP 409 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2vak s THR 410 N -3.20 2.28 0.38 -0.99 -4.23 -1.10 -4.95 115.64 103.82 2vak s THR 410 Ca 0.03 0.09 0.16 0.00 -1.18 0.00 0.00 61.69 60.79 2vak s THR 410 Cb 0.15 -2.29 0.15 0.00 1.34 0.00 0.00 72.50 71.85 2vak s THR 410 CO 0.84 -0.12 1.90 -0.65 -0.54 0.00 0.00 174.62 176.05 2vak h PRO 411 N -2.01 0.00 0.00 3.99 0.11 -1.91 -3.45 132.00 128.73 2vak h PRO 411 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2vak h PRO 411 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2vak h PRO 411 CO 0.49 0.29 0.00 0.41 -0.21 0.00 0.00 178.00 178.98 2vak n GLY 412 N -0.55 2.82 1.56 -0.55 0.00 -1.26 -2.25 105.19 104.95 2vak n GLY 412 Ca -0.02 0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 2vak n GLY 412 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2vak n MET 413 N 14.00 3.14 -0.22 1.61 1.56 -1.26 -4.58 117.12 131.38 2vak n MET 413 Ca 0.00 -2.11 0.01 0.00 -0.27 0.00 0.00 57.70 55.33 2vak n MET 413 Cb 0.00 -1.96 0.10 0.00 2.15 0.00 0.00 33.22 33.51 2vak n MET 413 CO 0.00 0.00 0.00 1.15 -0.73 0.00 0.00 175.97 176.39 2vak h THR 414 N 2.13 0.43 -0.74 1.12 2.02 -1.52 -2.45 112.91 113.89 2vak h THR 414 Ca 0.12 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.30 2vak h THR 414 Cb 1.73 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.44 2vak h THR 414 CO 0.46 0.01 0.48 0.00 0.37 0.00 0.00 175.52 176.84 2vak h ALA 415 N 1.61 0.96 -0.30 6.16 0.00 -1.87 0.83 119.26 126.63 2vak h ALA 415 Ca 0.33 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.24 2vak h ALA 415 Cb 0.54 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2vak h ALA 415 CO -0.59 0.30 0.11 1.96 0.00 0.00 0.00 179.25 181.03 2vak h GLN 416 N 0.95 0.24 -0.63 0.00 7.50 -1.87 -1.83 115.11 119.46 2vak h GLN 416 Ca 0.29 -0.01 -0.06 0.00 0.50 0.00 0.00 58.65 59.36 2vak h GLN 416 Cb -0.04 -0.05 -0.03 0.00 0.05 0.00 0.00 27.48 27.41 2vak h GLN 416 CO -0.09 0.16 0.14 0.00 -1.50 0.00 0.00 178.83 177.54 2vak h ALA 417 N 1.19 0.84 -0.09 3.87 0.00 -0.87 -2.45 119.26 121.74 2vak h ALA 417 Ca 0.14 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2vak h ALA 417 Cb 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2vak h ALA 417 CO -0.14 0.56 -0.39 -0.07 0.00 0.00 0.00 179.25 179.21 2vak h LEU 418 N 0.94 0.20 -0.05 0.00 3.38 -0.74 -2.29 115.31 116.76 2vak h LEU 418 Ca 0.20 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2vak h LEU 418 Cb 0.37 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2vak h LEU 418 CO 0.00 0.58 -0.09 0.00 0.09 0.00 0.00 178.44 179.03 2vak h ALA 419 N 1.43 0.08 -0.62 1.53 0.00 -1.14 -2.02 119.26 118.52 2vak h ALA 419 Ca 0.02 -0.32 0.13 0.00 0.00 0.00 0.00 54.91 54.74 2vak h ALA 419 Cb 0.77 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.44 2vak h ALA 419 CO 0.06 -0.08 -0.02 0.28 0.00 0.00 0.00 179.25 179.50 2vak h VAL 420 N -0.36 0.47 0.00 0.00 2.07 -1.47 -2.81 116.25 114.16 2vak h VAL 420 Ca 0.00 -0.03 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 2vak h VAL 420 Cb 0.65 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2vak h VAL 420 CO 0.02 0.02 -0.45 -0.07 0.02 0.00 0.00 177.57 177.11 2vak h LEU 421 N 0.10 0.00 -2.39 2.57 3.38 -1.37 -2.54 115.31 115.06 2vak h LEU 421 Ca 0.32 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.31 2vak h LEU 421 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2vak h LEU 421 CO -0.55 0.45 0.06 0.00 0.09 0.00 0.00 178.44 178.49 2vak h ALA 422 N 1.55 1.61 -0.01 1.53 0.00 -1.09 -2.37 119.26 120.48 2vak h ALA 422 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2vak h ALA 422 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2vak h ALA 422 CO 0.06 -0.09 -0.27 0.25 0.00 0.00 0.00 179.25 179.20 2vak n THR 423 N -3.83 0.00 0.98 0.00 -2.24 -0.96 -4.24 114.28 103.99 2vak n THR 423 Ca -0.02 -0.09 0.11 0.00 -2.27 0.00 0.00 64.05 61.79 2vak n THR 423 Cb 0.15 0.25 0.55 0.00 -2.10 0.00 0.00 70.33 69.18 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 -0.90 0.00 -0.13 4.78 3.01 -0.89 -1.80 117.46 121.53 2vak n PHE 424 Ca 0.11 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.69 2vak n PHE 424 Cb 0.33 -0.37 0.29 0.00 -0.01 0.00 0.00 39.48 39.73 2vak n PHE 424 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2vak n THR 425 N -1.37 0.84 0.67 4.37 -2.24 -1.26 -4.79 114.28 110.51 2vak n THR 425 Ca 0.09 -0.90 0.08 0.00 -2.27 0.00 0.00 64.05 61.05 2vak n THR 425 Cb 0.22 0.60 0.07 0.00 -2.10 0.00 0.00 70.33 69.11 2vak n THR 425 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50