#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vax h ARG 8 N 0.00 0.00 -0.02 1.20 0.11 -1.96 -1.02 114.38 112.69 2vax h ARG 8 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 2vax h ARG 8 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2vax h ARG 8 CO 0.00 0.19 -0.06 0.74 0.10 0.00 0.00 179.97 180.94 2vax h PHE 9 N 0.00 0.10 -0.74 4.08 -1.00 -1.95 -2.65 116.94 114.78 2vax h PHE 9 Ca -0.00 -0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.70 2vax h PHE 9 Cb 0.63 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 40.14 2vax h PHE 9 CO 0.00 0.66 0.29 1.49 -1.61 0.00 0.00 178.31 179.14 2vax h GLU 10 N -0.49 1.10 -0.61 1.51 4.81 -1.56 -2.92 114.58 116.42 2vax h GLU 10 Ca -0.00 -0.20 0.16 0.00 -0.13 0.00 0.00 59.36 59.19 2vax h GLU 10 Cb 0.66 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 2vax h GLU 10 CO 0.01 0.91 0.43 0.00 -0.73 0.00 0.00 179.01 179.63 2vax h ALA 11 N 1.14 2.45 0.00 2.92 0.00 -1.17 -2.60 119.26 122.00 2vax h ALA 11 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2vax h ALA 11 Cb 0.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2vax h ALA 11 CO -0.02 -0.62 0.00 -1.13 0.00 0.00 0.00 179.25 177.48 2vax n SER 12 N -4.39 0.00 -4.92 0.00 3.41 -1.00 -4.88 113.62 101.83 2vax n SER 12 Ca 0.12 -0.47 -0.26 0.00 -0.26 0.00 0.00 58.87 58.00 2vax n SER 12 Cb 0.62 -0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 64.41 2vax n SER 12 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2vax s LEU 13 N -2.30 3.80 1.33 1.04 1.43 -0.98 -5.09 118.68 117.90 2vax s LEU 13 Ca 0.33 0.73 -0.21 0.00 -1.03 0.00 0.00 54.13 53.95 2vax s LEU 13 Cb 0.19 -3.64 0.33 0.00 0.03 0.00 0.00 46.19 43.10 2vax s LEU 13 CO 0.37 -0.45 0.99 -1.81 0.23 0.00 0.00 176.35 175.69 2vax s ASP 14 N -4.05 -0.29 0.41 2.29 1.01 -1.26 -4.97 116.67 109.81 2vax s ASP 14 Ca 0.44 0.83 -0.26 0.00 0.71 0.00 0.00 52.55 54.28 2vax s ASP 14 Cb -0.10 -1.18 -0.09 0.00 1.01 0.00 0.00 42.92 42.56 2vax s ASP 14 CO 0.41 -4.89 1.30 0.00 0.21 0.00 0.00 175.17 172.20 2vax s ALA 15 N -2.53 3.24 0.18 5.23 0.00 -1.26 -5.02 121.76 121.60 2vax s ALA 15 Ca 0.69 1.23 -0.20 0.00 0.00 0.00 0.00 51.96 53.69 2vax s ALA 15 Cb -0.13 -3.49 0.04 0.00 0.00 0.00 0.00 23.12 19.55 2vax s ALA 15 CO 0.58 -0.84 0.55 1.14 0.00 0.00 0.00 175.76 177.19 2vax s GLN 16 N -2.28 1.32 0.30 0.00 -2.07 -1.26 -5.00 119.66 110.67 2vax s GLN 16 Ca 0.57 -0.70 -0.01 0.00 -1.82 0.00 0.00 55.36 53.41 2vax s GLN 16 Cb -0.38 0.55 -0.04 0.00 -1.09 0.00 0.00 33.01 32.05 2vax s GLN 16 CO 0.48 -0.57 0.51 -0.51 -1.32 0.00 0.00 175.29 173.89 2vax s ASP 17 N -2.82 6.34 -0.11 12.60 1.01 -0.87 -4.93 116.67 127.90 2vax s ASP 17 Ca 0.05 0.48 -0.00 0.00 0.71 0.00 0.00 52.55 53.79 2vax s ASP 17 Cb -0.01 -2.04 0.02 0.00 1.01 0.00 0.00 42.92 41.90 2vax s ASP 17 CO -0.08 -0.22 -0.09 -0.63 0.21 0.00 0.00 175.17 174.37 2vax s ILE 18 N -2.17 1.08 0.08 0.77 -1.09 -1.26 -1.35 121.20 117.27 2vax s ILE 18 Ca 0.40 -0.34 -0.08 0.00 -2.23 0.00 0.00 60.65 58.40 2vax s ILE 18 Cb -0.10 -1.08 -0.06 0.00 -1.58 0.00 0.00 42.46 39.65 2vax s ILE 18 CO 0.33 0.37 0.38 0.00 -1.23 0.00 0.00 174.94 174.79 2vax s ALA 19 N 1.57 3.76 -0.11 9.38 0.00 -0.31 -4.91 121.76 131.14 2vax s ALA 19 Ca 0.03 -0.45 0.04 0.00 0.00 0.00 0.00 51.96 51.57 2vax s ALA 19 Cb -0.13 -2.21 -0.00 0.00 0.00 0.00 0.00 23.12 20.78 2vax s ALA 19 CO -0.07 0.60 -0.23 1.03 0.00 0.00 0.00 175.76 177.09 2vax s ARG 20 N -2.06 3.07 -0.24 0.00 0.52 -1.26 -0.57 118.95 118.41 2vax s ARG 20 Ca 0.34 -0.86 -0.07 0.00 -0.52 0.00 0.00 55.73 54.62 2vax s ARG 20 Cb -0.13 -2.34 -0.03 0.00 0.52 0.00 0.00 34.95 32.97 2vax s ARG 20 CO 0.19 0.17 0.06 0.42 0.02 0.00 0.00 175.30 176.15 2vax s ILE 21 N 0.38 4.22 0.26 1.52 -1.09 -0.41 -4.86 121.20 121.21 2vax s ILE 21 Ca -0.17 -0.20 0.05 0.00 -2.23 0.00 0.00 60.65 58.09 2vax s ILE 21 Cb -0.18 -2.96 -0.00 0.00 -1.58 0.00 0.00 42.46 37.74 2vax s ILE 21 CO 0.08 0.36 1.63 0.77 -1.23 0.00 0.00 174.94 176.54 2vax h SER 22 N 8.14 0.30 -3.48 3.58 4.64 -1.92 0.41 113.55 125.21 2vax h SER 22 Ca -0.38 -0.14 -0.29 0.00 -0.47 0.00 0.00 61.79 60.50 2vax h SER 22 Cb 1.17 -0.08 -0.34 0.00 -0.31 0.00 0.00 62.40 62.84 2vax h SER 22 CO 0.59 0.75 -0.69 -0.76 -0.87 0.00 0.00 176.83 175.84 2vax s LEU 23 N -8.13 0.92 -0.03 5.97 1.43 -1.26 -0.44 118.68 117.14 2vax s LEU 23 Ca -0.05 0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.17 2vax s LEU 23 Cb 0.13 0.06 0.03 0.00 0.03 0.00 0.00 46.19 46.43 2vax s LEU 23 CO 0.79 -0.14 0.04 0.12 0.23 0.00 0.00 176.35 177.39 2vax s PHE 24 N 1.16 0.05 -0.42 0.29 2.19 -0.10 -5.00 117.98 116.16 2vax s PHE 24 Ca -0.08 0.17 -0.16 0.00 0.33 0.00 0.00 56.93 57.19 2vax s PHE 24 Cb -0.13 -0.32 0.02 0.00 -1.31 0.00 0.00 43.02 41.29 2vax s PHE 24 CO -0.04 -0.12 0.35 0.99 1.83 0.00 0.00 175.22 178.22 2vax s THR 25 N 1.41 5.21 0.84 0.12 2.01 -1.26 -0.45 115.64 123.52 2vax s THR 25 Ca -0.05 -0.59 -0.11 0.00 0.31 0.00 0.00 61.69 61.25 2vax s THR 25 Cb -0.13 -3.97 0.10 0.00 0.01 0.00 0.00 72.50 68.51 2vax s THR 25 CO -0.03 -0.36 1.13 -0.76 -0.69 0.00 0.00 174.62 173.91 2vax s LEU 26 N 1.81 2.96 0.16 4.42 1.43 0.81 -4.87 118.68 125.40 2vax s LEU 26 Ca 0.07 2.07 0.22 0.00 -1.03 0.00 0.00 54.13 55.45 2vax s LEU 26 Cb -0.19 -4.55 0.87 0.00 0.03 0.00 0.00 46.19 42.35 2vax s LEU 26 CO 0.11 -2.63 1.66 -1.84 0.23 0.00 0.00 176.35 173.88 2vax n GLU 27 N -3.83 0.13 0.29 1.70 0.28 -1.26 -0.44 120.64 117.51 2vax n GLU 27 Ca 0.11 0.32 0.17 0.00 -0.16 0.00 0.00 57.16 57.59 2vax n GLU 27 Cb 0.52 -1.73 0.82 0.00 1.43 0.00 0.00 31.44 32.49 2vax n GLU 27 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2vax h SER 28 N 0.00 0.00 0.00 -1.84 4.64 -1.91 -3.46 113.55 110.98 2vax h SER 28 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2vax h SER 28 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2vax h SER 28 CO 0.00 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 2vax n GLY 29 N -0.48 0.36 3.76 -0.77 0.00 0.42 -5.08 105.19 103.41 2vax n GLY 29 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2vax n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vax s VAL 30 N -2.05 3.54 -0.23 1.61 1.01 -1.26 -4.78 120.40 118.25 2vax s VAL 30 Ca 0.00 1.50 -0.07 0.00 0.00 0.00 0.00 61.98 63.41 2vax s VAL 30 Cb 0.00 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 2vax s VAL 30 CO 0.00 0.32 0.06 -0.63 0.00 0.00 0.00 175.10 174.86 2vax s ILE 31 N -1.22 4.40 0.04 2.22 1.01 -1.26 -0.14 121.20 126.25 2vax s ILE 31 Ca 0.46 -0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.84 2vax s ILE 31 Cb -0.31 -3.03 -0.06 0.00 0.01 0.00 0.00 42.46 39.08 2vax s ILE 31 CO 0.39 0.38 0.39 -0.76 0.00 0.00 0.00 174.94 175.34 2vax s LEU 32 N 1.21 4.40 -0.05 2.97 1.43 0.40 -4.95 118.68 124.10 2vax s LEU 32 Ca 0.04 0.83 0.02 0.00 -1.03 0.00 0.00 54.13 54.00 2vax s LEU 32 Cb -0.14 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 2vax s LEU 32 CO 0.03 0.24 -0.10 -0.13 0.23 0.00 0.00 176.35 176.62 2vax s ARG 33 N -1.56 2.62 -1.16 1.70 0.52 -1.26 -0.92 118.95 118.89 2vax s ARG 33 Ca 0.29 -0.63 -0.05 0.00 -0.52 0.00 0.00 55.73 54.82 2vax s ARG 33 Cb -0.15 -2.49 -0.03 0.00 0.52 0.00 0.00 34.95 32.81 2vax s ARG 33 CO 0.16 0.64 0.88 -3.47 0.02 0.00 0.00 175.30 173.53 2vax n ASP 34 N 2.18 -4.04 -4.57 0.23 2.03 0.42 -4.79 116.55 108.02 2vax n ASP 34 Ca -0.17 -0.74 -0.42 0.00 0.52 0.00 0.00 54.79 53.98 2vax n ASP 34 Cb 0.53 -4.73 -0.07 0.00 -0.72 0.00 0.00 41.12 36.12 2vax n ASP 34 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2vax s VAL 35 N -3.45 4.92 0.27 5.18 1.01 0.14 -4.80 120.40 123.67 2vax s VAL 35 Ca 0.24 0.53 -0.29 0.00 0.00 0.00 0.00 61.98 62.46 2vax s VAL 35 Cb -0.04 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 2vax s VAL 35 CO 0.77 -0.29 1.04 -2.16 0.00 0.00 0.00 175.10 174.46 2vax s PRO 36 N 2.64 4.69 -0.19 2.72 0.04 -1.26 -1.29 135.00 142.34 2vax s PRO 36 Ca 0.23 1.68 0.01 0.00 0.04 0.00 0.00 61.00 62.96 2vax s PRO 36 Cb -0.15 -3.18 0.04 0.00 0.04 0.00 0.00 34.50 31.26 2vax s PRO 36 CO 0.14 0.29 -0.09 0.08 0.04 0.00 0.00 177.00 177.47 2vax s VAL 37 N -1.20 1.53 0.26 -0.36 1.01 0.27 -1.15 120.40 120.76 2vax s VAL 37 Ca 0.44 -0.93 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 2vax s VAL 37 Cb -0.29 -1.63 -0.09 0.00 0.00 0.00 0.00 36.38 34.37 2vax s VAL 37 CO 0.37 0.16 0.73 0.00 0.00 0.00 0.00 175.10 176.36 2vax s ALA 38 N 1.45 3.38 0.25 5.51 0.00 -1.26 -1.16 121.76 129.93 2vax s ALA 38 Ca -0.01 0.11 -0.18 0.00 0.00 0.00 0.00 51.96 51.89 2vax s ALA 38 Cb -0.16 -2.80 0.01 0.00 0.00 0.00 0.00 23.12 20.18 2vax s ALA 38 CO -0.08 0.33 0.60 1.52 0.00 0.00 0.00 175.76 178.13 2vax s TYR 39 N -1.71 -0.00 -0.08 0.00 1.13 -0.45 -0.69 117.35 115.54 2vax s TYR 39 Ca 0.48 -0.39 -0.05 0.00 -1.41 0.00 0.00 57.07 55.69 2vax s TYR 39 Cb -0.14 0.47 0.03 0.00 -1.10 0.00 0.00 41.96 41.22 2vax s TYR 39 CO 0.19 -1.08 0.20 0.21 -2.51 0.00 0.00 175.55 172.56 2vax s LYS 40 N -3.94 0.18 0.19 -3.49 2.47 -0.23 -2.05 119.74 112.88 2vax s LYS 40 Ca 0.14 0.37 0.04 0.00 -1.56 0.00 0.00 55.97 54.96 2vax s LYS 40 Cb -0.03 -0.04 -0.05 0.00 -1.46 0.00 0.00 37.83 36.25 2vax s LYS 40 CO 0.05 -0.10 -0.04 -1.54 0.16 0.00 0.00 175.35 173.88 2vax s SER 41 N 0.73 1.77 -0.03 1.43 1.04 -1.26 -1.22 113.70 116.17 2vax s SER 41 Ca -0.05 -1.13 -0.02 0.00 0.48 0.00 0.00 55.95 55.22 2vax s SER 41 Cb -0.07 0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.07 2vax s SER 41 CO -0.04 -0.44 0.06 0.26 0.98 0.00 0.00 173.24 174.06 2vax s TRP 42 N -3.40 -0.06 0.00 5.02 0.51 -0.26 -4.99 118.94 115.76 2vax s TRP 42 Ca 0.23 0.18 0.00 0.00 -2.12 0.00 0.00 56.10 54.40 2vax s TRP 42 Cb 0.04 -0.01 0.00 0.00 -0.81 0.00 0.00 33.47 32.70 2vax s TRP 42 CO 0.05 -0.05 0.00 0.41 -0.51 0.00 0.00 176.95 176.86 2vax n GLY 43 N 3.23 -2.07 3.03 0.98 0.00 -1.26 -0.40 105.19 108.70 2vax n GLY 43 Ca -0.15 -1.70 -0.17 0.00 0.00 0.00 0.00 46.02 44.01 2vax n GLY 43 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2vax s ARG 44 N -0.11 0.62 0.27 1.61 3.52 -1.24 -4.79 118.95 118.82 2vax s ARG 44 Ca 0.00 -0.45 -0.29 0.00 -0.13 0.00 0.00 55.73 54.85 2vax s ARG 44 Cb 0.00 -0.56 -0.10 0.00 -1.56 0.00 0.00 34.95 32.73 2vax s ARG 44 CO 0.00 0.14 1.27 -1.64 -0.81 0.00 0.00 175.30 174.26 2vax s MET 45 N -0.65 4.42 1.08 5.12 -1.94 -1.26 -3.84 119.30 122.23 2vax s MET 45 Ca -0.00 2.08 -0.17 0.00 -1.71 0.00 0.00 55.69 55.89 2vax s MET 45 Cb -0.05 -3.14 0.23 0.00 2.01 0.00 0.00 34.83 33.88 2vax s MET 45 CO 0.00 -0.14 1.17 0.54 -0.01 0.00 0.00 175.02 176.58 2vax s ASN 46 N -0.22 2.03 0.26 3.03 2.20 -1.26 -4.89 114.94 116.10 2vax s ASN 46 Ca 0.51 0.63 -0.01 0.00 -0.94 0.00 0.00 52.86 53.05 2vax s ASN 46 Cb -0.37 -0.90 0.34 0.00 -2.00 0.00 0.00 41.25 38.32 2vax s ASN 46 CO 0.45 -3.44 1.73 0.58 -2.94 0.00 0.00 177.10 173.49 2vax h VAL 47 N -2.11 1.25 0.00 3.54 2.07 -2.04 -0.97 116.25 117.99 2vax h VAL 47 Ca -0.46 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 65.96 2vax h VAL 47 Cb 1.29 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2vax h VAL 47 CO 0.41 0.37 0.00 -1.28 0.02 0.00 0.00 177.57 177.10 2vax h SER 48 N 0.66 0.00 -4.98 0.57 0.87 -2.01 -3.47 113.55 105.18 2vax h SER 48 Ca 0.12 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.32 2vax h SER 48 Cb 0.54 0.00 0.11 0.00 -0.44 0.00 0.00 62.40 62.60 2vax h SER 48 CO 0.03 0.00 -0.59 0.54 -0.53 0.00 0.00 176.83 176.29 2vax n ARG 49 N -2.60 -6.43 -0.22 2.24 1.74 -0.37 -4.74 116.66 106.28 2vax n ARG 49 Ca 0.03 0.75 0.01 0.00 -0.77 0.00 0.00 57.85 57.87 2vax n ARG 49 Cb 0.33 -5.49 0.02 0.00 -1.02 0.00 0.00 32.46 26.30 2vax n ARG 49 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2vax n ASP 50 N -2.38 0.48 -1.50 0.55 5.75 -1.26 -0.90 116.55 117.28 2vax n ASP 50 Ca -0.02 -1.77 -0.08 0.00 -0.01 0.00 0.00 54.79 52.91 2vax n ASP 50 Cb 0.57 -0.14 0.21 0.00 -1.03 0.00 0.00 41.12 40.74 2vax n ASP 50 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2vax n ASN 51 N -0.22 3.25 -4.69 -1.12 6.94 -1.26 -4.03 115.26 114.12 2vax n ASN 51 Ca 0.02 -3.58 -0.42 0.00 -0.02 0.00 0.00 54.58 50.58 2vax n ASN 51 Cb 0.58 -0.69 -0.03 0.00 -2.36 0.00 0.00 39.78 37.27 2vax n ASN 51 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2vax s VAL 53 N 1.68 3.22 -0.23 0.00 1.01 0.87 -0.01 120.40 126.94 2vax s VAL 53 Ca 0.45 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 2vax s VAL 53 Cb -0.18 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 2vax s VAL 53 CO 0.19 0.46 0.21 -0.63 0.00 0.00 0.00 175.10 175.32 2vax s ILE 54 N 1.12 5.33 -0.23 2.22 1.01 0.07 -0.97 121.20 129.76 2vax s ILE 54 Ca 0.01 0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.86 2vax s ILE 54 Cb -0.14 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 2vax s ILE 54 CO -0.02 0.33 0.10 -0.69 0.00 0.00 0.00 174.94 174.66 2vax s VAL 55 N 1.08 4.77 -0.26 2.92 1.01 -0.10 -0.61 120.40 129.21 2vax s VAL 55 Ca 0.10 -0.02 -0.14 0.00 0.00 0.00 0.00 61.98 61.92 2vax s VAL 55 Cb -0.14 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2vax s VAL 55 CO 0.05 0.36 0.31 0.00 0.00 0.00 0.00 175.10 175.82 2vax s HIS 57 N 1.76 2.48 0.75 0.00 -3.43 -1.26 -3.94 115.29 111.63 2vax s HIS 57 Ca 0.13 0.71 -0.08 0.00 -0.80 0.00 0.00 55.06 55.01 2vax s HIS 57 Cb -0.15 -3.56 0.07 0.00 -1.43 0.00 0.00 32.58 27.51 2vax s HIS 57 CO 0.09 -2.22 1.08 0.95 -2.00 0.00 0.00 174.74 172.64 2vax s THR 58 N -3.50 2.18 0.31 -5.38 -4.23 -1.26 -2.49 115.64 101.26 2vax s THR 58 Ca 0.65 -0.18 0.04 0.00 -1.18 0.00 0.00 61.69 61.02 2vax s THR 58 Cb -0.11 -2.99 0.36 0.00 1.34 0.00 0.00 72.50 71.10 2vax s THR 58 CO 0.51 0.00 1.60 0.25 -0.54 0.00 0.00 174.62 176.45 2vax h LEU 59 N -0.77 -0.19 -2.88 4.79 5.85 -1.95 -2.92 115.31 117.24 2vax h LEU 59 Ca -0.45 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2vax h LEU 59 Cb 1.32 0.37 0.00 0.00 0.37 0.00 0.00 40.66 42.72 2vax h LEU 59 CO 0.61 -0.28 0.00 0.35 -0.34 0.00 0.00 178.44 178.78 2vax n THR 60 N -5.35 0.95 -2.47 1.05 -2.24 -1.26 -5.00 114.28 99.96 2vax n THR 60 Ca 0.24 -0.98 -0.23 0.00 -2.27 0.00 0.00 64.05 60.81 2vax n THR 60 Cb 0.79 0.53 0.07 0.00 -2.10 0.00 0.00 70.33 69.61 2vax n THR 60 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2vax s SER 61 N -0.97 4.86 0.62 3.42 1.04 -1.10 -5.07 113.70 116.50 2vax s SER 61 Ca 0.08 0.06 -0.00 0.00 0.48 0.00 0.00 55.95 56.57 2vax s SER 61 Cb 0.04 -0.74 0.10 0.00 0.10 0.00 0.00 66.02 65.52 2vax s SER 61 CO 0.05 -1.49 0.67 -1.54 0.98 0.00 0.00 173.24 171.92 2vax n SER 62 N -2.67 0.92 0.00 7.02 3.41 -1.26 -4.87 113.62 116.17 2vax n SER 62 Ca 0.10 -1.77 0.04 0.00 -0.26 0.00 0.00 58.87 56.97 2vax n SER 62 Cb 0.60 -0.43 0.17 0.00 -0.26 0.00 0.00 64.21 64.28 2vax n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vax n ALA 63 N -2.93 1.39 -2.60 7.33 0.00 -1.26 -4.45 120.51 117.99 2vax n ALA 63 Ca -0.11 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 2vax n ALA 63 Cb 0.40 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2vax n ALA 63 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2vax n HIS 64 N -1.45 4.60 0.21 0.00 8.25 -1.26 -4.69 115.22 120.89 2vax n HIS 64 Ca 0.02 -2.98 0.06 0.00 -0.26 0.00 0.00 57.72 54.56 2vax n HIS 64 Cb 0.08 -2.50 0.47 0.00 1.12 0.00 0.00 29.99 29.17 2vax n HIS 64 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2vax h VAL 65 N 5.15 1.02 -0.26 1.59 2.07 -1.97 -1.43 116.25 122.43 2vax h VAL 65 Ca 0.42 -0.99 0.08 0.00 0.82 0.00 0.00 66.70 67.03 2vax h VAL 65 Cb 0.84 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2vax h VAL 65 CO 1.45 0.27 0.31 0.71 0.02 0.00 0.00 177.57 180.33 2vax h THR 66 N 0.00 0.38 0.00 2.57 1.35 -1.85 0.27 112.91 115.64 2vax h THR 66 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 2vax h THR 66 Cb 0.54 0.74 -0.00 0.00 -1.73 0.00 0.00 68.15 67.70 2vax h THR 66 CO 0.04 0.00 -0.05 0.77 -0.25 0.00 0.00 175.52 176.03 2vax h SER 67 N 0.00 0.00 0.00 5.36 4.64 -1.66 -2.70 113.55 119.19 2vax h SER 67 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2vax h SER 67 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2vax h SER 67 CO -0.00 0.05 -0.87 -2.67 -0.87 0.00 0.00 176.83 172.47 2vax n TRP 68 N -3.11 0.00 -2.15 4.77 4.27 -0.78 -4.73 117.44 115.71 2vax n TRP 68 Ca 0.04 0.00 -0.26 0.00 -3.89 0.00 0.00 57.50 53.39 2vax n TRP 68 Cb 0.54 -0.00 0.02 0.00 -1.36 0.00 0.00 31.31 30.50 2vax n TRP 68 CO 0.00 0.00 0.00 0.91 -2.29 0.00 0.00 177.69 176.31 2vax n TRP 69 N -1.43 3.01 -0.08 -2.67 8.01 0.90 -4.92 117.44 120.26 2vax n TRP 69 Ca -0.00 -2.57 0.03 0.00 -1.31 0.00 0.00 57.50 53.65 2vax n TRP 69 Cb 0.00 -0.32 0.36 0.00 -2.01 0.00 0.00 31.31 29.35 2vax n TRP 69 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 2vax h PRO 70 N 2.33 0.70 0.00 -0.99 0.13 -1.64 -1.50 132.00 131.03 2vax h PRO 70 Ca 0.36 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.45 2vax h PRO 70 Cb 1.25 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2vax h PRO 70 CO 0.84 0.46 0.00 0.25 -0.23 0.00 0.00 178.00 179.33 2vax n THR 71 N -4.46 0.02 0.90 1.56 -2.24 -1.26 -2.67 114.28 106.13 2vax n THR 71 Ca 0.05 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.96 2vax n THR 71 Cb 0.05 -0.56 0.33 0.00 -2.10 0.00 0.00 70.33 68.06 2vax n THR 71 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2vax n LEU 72 N -1.05 0.43 -4.87 3.22 4.32 -0.56 -4.81 117.00 113.68 2vax n LEU 72 Ca 0.20 0.19 -0.36 0.00 -0.02 0.00 0.00 56.01 56.02 2vax n LEU 72 Cb 0.12 -0.30 -0.06 0.00 -1.62 0.00 0.00 43.42 41.56 2vax n LEU 72 CO 0.17 0.05 -0.04 -0.36 -1.22 0.00 0.00 177.39 175.99 2vax s PHE 73 N -3.04 3.61 0.00 -1.77 0.40 -1.09 -0.07 117.98 116.03 2vax s PHE 73 Ca 0.11 0.65 0.00 0.00 -0.60 0.00 0.00 56.93 57.09 2vax s PHE 73 Cb 0.17 -2.05 0.00 0.00 0.51 0.00 0.00 43.02 41.65 2vax s PHE 73 CO 0.66 0.64 0.00 0.41 0.70 0.00 0.00 175.22 177.62 2vax n GLY 74 N 1.39 1.94 3.76 4.36 0.00 -0.98 -4.84 105.19 110.81 2vax n GLY 74 Ca -0.13 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.36 2vax n GLY 74 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2vax s GLN 75 N -1.57 4.57 0.00 1.61 0.74 -1.26 -1.68 119.66 122.07 2vax s GLN 75 Ca 0.00 1.88 0.00 0.00 0.05 0.00 0.00 55.36 57.29 2vax s GLN 75 Cb 0.00 -3.18 0.00 0.00 1.10 0.00 0.00 33.01 30.93 2vax s GLN 75 CO 0.00 0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.24 2vax n GLY 76 N 1.36 1.23 3.97 2.59 0.00 -1.26 -5.00 105.19 108.08 2vax n GLY 76 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2vax n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vax s ARG 77 N -0.19 1.53 0.13 1.61 1.81 -0.68 -5.01 118.95 118.15 2vax s ARG 77 Ca 0.00 -0.78 -0.15 0.00 -1.72 0.00 0.00 55.73 53.08 2vax s ARG 77 Cb 0.00 -2.19 -0.01 0.00 -0.45 0.00 0.00 34.95 32.30 2vax s ARG 77 CO 0.00 -1.63 1.63 0.00 -0.68 0.00 0.00 175.30 174.62 2vax h ALA 78 N -0.80 0.54 -2.15 2.13 0.00 -1.73 -3.18 119.26 114.07 2vax h ALA 78 Ca -0.40 -0.20 -0.80 0.00 0.00 0.00 0.00 54.91 53.52 2vax h ALA 78 Cb 1.27 -0.16 -0.27 0.00 0.00 0.00 0.00 17.79 18.64 2vax h ALA 78 CO 0.43 0.22 0.74 1.19 0.00 0.00 0.00 179.25 181.84 2vax n PHE 79 N -4.55 3.94 -2.47 0.00 3.72 0.91 -4.80 117.46 114.21 2vax n PHE 79 Ca -0.00 -3.29 -0.41 0.00 -0.05 0.00 0.00 57.45 53.69 2vax n PHE 79 Cb 0.21 -1.58 -0.03 0.00 -0.94 0.00 0.00 39.48 37.14 2vax n PHE 79 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2vax s ASP 80 N 0.17 6.16 0.00 4.37 -1.08 -1.20 -2.33 116.67 122.76 2vax s ASP 80 Ca 0.32 0.00 0.13 0.00 -0.52 0.00 0.00 52.55 52.49 2vax s ASP 80 Cb -0.03 -2.55 0.70 0.00 -1.46 0.00 0.00 42.92 39.58 2vax s ASP 80 CO 0.00 -1.74 1.33 0.35 0.52 0.00 0.00 175.17 175.64 2vax n THR 81 N 6.68 0.55 0.05 1.71 -2.24 -1.26 -1.47 114.28 118.30 2vax n THR 81 Ca 0.09 0.14 -0.03 0.00 -2.27 0.00 0.00 64.05 61.98 2vax n THR 81 Cb 0.49 -0.92 -0.08 0.00 -2.10 0.00 0.00 70.33 67.73 2vax n THR 81 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2vax h SER 82 N 0.00 0.00 0.00 3.42 0.02 -1.90 -3.39 113.55 111.70 2vax h SER 82 Ca 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 2vax h SER 82 Cb 0.11 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 2vax h SER 82 CO 0.00 0.74 -1.87 0.54 -1.14 0.00 0.00 176.83 175.11 2vax n ARG 83 N -3.10 0.95 -4.15 3.45 1.74 -0.73 -5.00 116.66 109.82 2vax n ARG 83 Ca -0.06 -0.09 -0.13 0.00 -0.77 0.00 0.00 57.85 56.80 2vax n ARG 83 Cb 0.88 -1.39 -0.11 0.00 -1.02 0.00 0.00 32.46 30.83 2vax n ARG 83 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2vax s TYR 84 N -2.80 0.94 -0.42 -1.55 1.51 -0.54 -4.90 117.35 109.58 2vax s TYR 84 Ca -0.07 -0.71 -0.14 0.00 -1.01 0.00 0.00 57.07 55.14 2vax s TYR 84 Cb 0.08 -0.53 0.04 0.00 -0.11 0.00 0.00 41.96 41.44 2vax s TYR 84 CO 0.65 -0.06 0.31 0.12 -1.11 0.00 0.00 175.55 175.46 2vax s PHE 85 N -2.64 3.25 -0.21 2.71 5.36 -0.36 -3.72 117.98 122.36 2vax s PHE 85 Ca 0.05 -0.80 -0.13 0.00 -0.96 0.00 0.00 56.93 55.09 2vax s PHE 85 Cb -0.01 -2.75 -0.04 0.00 -0.34 0.00 0.00 43.02 39.87 2vax s PHE 85 CO -0.01 -0.67 0.28 0.42 -1.46 0.00 0.00 175.22 173.77 2vax s ILE 86 N 1.63 5.29 -0.00 3.12 -1.09 0.47 -0.09 121.20 130.52 2vax s ILE 86 Ca 0.04 0.45 0.02 0.00 -2.23 0.00 0.00 60.65 58.93 2vax s ILE 86 Cb -0.21 -3.61 -0.01 0.00 -1.58 0.00 0.00 42.46 37.05 2vax s ILE 86 CO 0.08 0.31 -0.07 -0.51 -1.23 0.00 0.00 174.94 173.52 2vax s ILE 87 N 1.07 0.54 -0.10 2.92 2.07 -0.14 -1.10 121.20 126.46 2vax s ILE 87 Ca 0.14 -0.32 0.02 0.00 -1.41 0.00 0.00 60.65 59.07 2vax s ILE 87 Cb -0.14 -0.46 0.02 0.00 0.13 0.00 0.00 42.46 42.01 2vax s ILE 87 CO 0.06 0.14 -0.14 0.00 -1.91 0.00 0.00 174.94 173.09 2vax s LEU 89 N 1.01 3.47 0.13 0.00 1.02 -1.26 -1.07 118.68 121.97 2vax s LEU 89 Ca -0.07 0.06 -0.30 0.00 0.02 0.00 0.00 54.13 53.85 2vax s LEU 89 Cb -0.15 -1.80 -0.07 0.00 0.02 0.00 0.00 46.19 44.20 2vax s LEU 89 CO -0.01 0.33 1.14 0.21 0.02 0.00 0.00 176.35 178.04 2vax s ASN 90 N -0.58 7.18 0.64 2.29 3.04 0.14 -4.75 114.94 122.90 2vax s ASN 90 Ca 0.09 2.06 -0.17 0.00 0.04 0.00 0.00 52.86 54.89 2vax s ASN 90 Cb -0.12 -2.59 -0.01 0.00 -1.54 0.00 0.00 41.25 36.99 2vax s ASN 90 CO 0.02 -0.33 1.18 -0.31 -3.04 0.00 0.00 177.10 174.62 2vax s TYR 91 N 0.30 2.37 0.43 0.43 4.12 -1.26 -4.59 117.35 119.14 2vax s TYR 91 Ca 0.53 1.55 -0.25 0.00 0.02 0.00 0.00 57.07 58.92 2vax s TYR 91 Cb -0.29 -3.39 -0.08 0.00 -1.52 0.00 0.00 41.96 36.67 2vax s TYR 91 CO 0.33 -2.16 1.26 -0.51 0.02 0.00 0.00 175.55 174.49 2vax s LEU 92 N -4.53 4.13 0.00 -1.29 1.43 -1.26 -2.73 118.68 114.43 2vax s LEU 92 Ca 0.74 2.54 0.00 0.00 -1.03 0.00 0.00 54.13 56.38 2vax s LEU 92 Cb -0.27 -4.04 0.00 0.00 0.03 0.00 0.00 46.19 41.91 2vax s LEU 92 CO 0.38 -0.92 0.00 0.61 0.23 0.00 0.00 176.35 176.65 2vax n GLY 93 N 0.63 1.19 3.87 -3.19 0.00 0.21 -4.87 105.19 103.02 2vax n GLY 93 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 2vax n GLY 93 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2vax s SER 94 N -2.88 6.50 0.00 1.61 0.15 -1.10 -4.44 113.70 113.54 2vax s SER 94 Ca 0.00 1.27 0.31 0.00 0.70 0.00 0.00 55.95 58.23 2vax s SER 94 Cb 0.00 -2.39 1.67 0.00 -1.71 0.00 0.00 66.02 63.60 2vax s SER 94 CO 0.00 -0.52 2.10 -0.81 1.20 0.00 0.00 173.24 175.21 2vax n PRO 95 N -1.62 1.17 -1.23 5.44 -0.04 -1.26 -4.34 135.00 133.12 2vax n PRO 95 Ca 0.04 -0.26 -0.25 0.00 -0.04 0.00 0.00 63.50 62.99 2vax n PRO 95 Cb 0.54 -1.49 0.15 0.00 -0.04 0.00 0.00 33.50 32.66 2vax n PRO 95 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2vax n PHE 96 N -0.69 2.90 0.00 0.54 3.72 -1.26 -3.40 117.46 119.27 2vax n PHE 96 Ca 0.23 -2.11 0.00 0.00 -0.05 0.00 0.00 57.45 55.51 2vax n PHE 96 Cb 0.18 -1.01 0.00 0.00 -0.94 0.00 0.00 39.48 37.71 2vax n PHE 96 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2vax n GLY 97 N -1.08 3.65 3.72 1.37 0.00 -1.26 -4.82 105.19 106.77 2vax n GLY 97 Ca 0.58 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 2vax n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vax s SER 98 N 0.00 3.47 0.24 1.61 0.01 -1.26 -4.22 113.70 113.55 2vax s SER 98 Ca 0.00 1.43 -0.31 0.00 1.31 0.00 0.00 55.95 58.38 2vax s SER 98 Cb 0.00 -2.12 -0.12 0.00 0.21 0.00 0.00 66.02 63.99 2vax s SER 98 CO 0.00 -2.63 1.58 0.00 0.41 0.00 0.00 173.24 172.59 2vax n ALA 99 N -3.87 2.11 -3.08 1.44 0.00 -0.30 -4.66 120.51 112.14 2vax n ALA 99 Ca 0.07 0.40 0.01 0.00 0.00 0.00 0.00 53.44 53.91 2vax n ALA 99 Cb 0.56 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.59 2vax n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vax n GLY 100 N 2.73 1.22 0.45 0.00 0.00 -1.26 0.65 105.19 108.98 2vax n GLY 100 Ca 0.12 -0.94 0.27 0.00 0.00 0.00 0.00 46.02 45.47 2vax n GLY 100 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2vax h PRO 101 N 0.00 0.00 0.00 1.61 0.11 -1.80 -0.24 132.00 131.68 2vax h PRO 101 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2vax h PRO 101 Cb 0.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.22 2vax h PRO 101 CO 0.03 0.00 -0.33 0.00 -0.21 0.00 0.00 178.00 177.50 2vax s SER 103 N -3.52 6.37 0.26 0.00 1.04 -0.10 -4.75 113.70 113.00 2vax s SER 103 Ca 0.11 0.51 -0.31 0.00 0.48 0.00 0.00 55.95 56.74 2vax s SER 103 Cb 0.16 -2.06 -0.12 0.00 0.10 0.00 0.00 66.02 64.10 2vax s SER 103 CO 0.65 -0.18 1.53 -2.65 0.98 0.00 0.00 173.24 173.56 2vax n PRO 104 N -1.14 2.41 -2.77 4.02 -0.02 -1.26 -1.43 135.00 134.80 2vax n PRO 104 Ca -0.04 0.86 -0.43 0.00 -2.02 0.00 0.00 63.50 61.87 2vax n PRO 104 Cb 0.55 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 2vax n PRO 104 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2vax s ASP 105 N 0.47 6.66 0.00 2.55 -1.08 -0.31 -4.66 116.67 120.30 2vax s ASP 105 Ca 0.67 0.53 0.00 0.00 -0.52 0.00 0.00 52.55 53.23 2vax s ASP 105 Cb -0.57 -2.48 0.00 0.00 -1.46 0.00 0.00 42.92 38.41 2vax s ASP 105 CO 0.47 -0.93 0.82 -0.81 0.52 0.00 0.00 175.17 175.24 2vax n PRO 106 N 6.96 0.00 -3.20 4.34 -0.04 -1.26 -3.34 135.00 138.46 2vax n PRO 106 Ca 0.08 0.33 -0.44 0.00 -0.04 0.00 0.00 63.50 63.43 2vax n PRO 106 Cb 0.48 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 2vax n PRO 106 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2vax n ASP 107 N -1.32 5.90 0.00 3.54 8.00 -1.26 -5.04 116.55 126.37 2vax n ASP 107 Ca 0.00 -3.20 0.00 0.00 0.71 0.00 0.00 54.79 52.30 2vax n ASP 107 Cb 0.10 -1.33 0.00 0.00 -0.02 0.00 0.00 41.12 39.87 2vax n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vax n ALA 108 N 2.07 0.00 0.00 2.24 0.00 -1.21 -5.12 120.51 118.49 2vax n ALA 108 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2vax n ALA 108 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 2vax n ALA 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2vax n ARG 112 N 0.00 0.00 -1.53 0.00 1.74 -1.25 -5.04 116.66 110.58 2vax n ARG 112 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 2vax n ARG 112 Cb 0.00 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.52 2vax n ARG 112 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2vax s PRO 113 N -4.31 2.29 0.29 5.56 0.04 -1.26 -1.16 135.00 136.45 2vax s PRO 113 Ca 0.00 1.75 0.03 0.00 0.04 0.00 0.00 61.00 62.82 2vax s PRO 113 Cb 0.00 -1.85 0.62 0.00 0.04 0.00 0.00 34.50 33.31 2vax s PRO 113 CO 0.00 -1.72 1.81 1.88 0.04 0.00 0.00 177.00 179.02 2vax h TYR 114 N -0.11 1.12 0.00 0.56 -1.99 -1.25 -3.41 116.97 111.89 2vax h TYR 114 Ca -0.48 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.28 2vax h TYR 114 Cb 1.29 -0.35 0.00 0.00 2.00 0.00 0.00 36.73 39.67 2vax h TYR 114 CO 0.47 0.37 0.00 0.41 -0.00 0.00 0.00 178.16 179.42 2vax n GLY 115 N -1.34 3.22 0.05 3.88 0.00 0.43 -1.48 105.19 109.94 2vax n GLY 115 Ca 0.21 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.17 2vax n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vax n ALA 116 N 10.30 1.67 0.30 4.61 0.00 -1.25 -3.05 120.51 133.09 2vax n ALA 116 Ca 0.00 -0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2vax n ALA 116 Cb 0.00 -1.29 0.23 0.00 0.00 0.00 0.00 19.45 18.39 2vax n ALA 116 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2vax n LYS 117 N -1.77 2.36 -2.11 0.00 4.76 -0.55 -4.91 118.16 115.93 2vax n LYS 117 Ca 0.03 -1.87 -0.42 0.00 -2.87 0.00 0.00 58.31 53.18 2vax n LYS 117 Cb 0.19 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.89 2vax n LYS 117 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 2vax s PHE 118 N -1.43 2.67 0.77 2.13 2.19 -1.17 -4.95 117.98 118.19 2vax s PHE 118 Ca 0.34 0.62 -0.14 0.00 0.33 0.00 0.00 56.93 58.08 2vax s PHE 118 Cb 0.19 -3.78 0.05 0.00 -1.31 0.00 0.00 43.02 38.17 2vax s PHE 118 CO 0.22 -2.99 1.13 -2.30 1.83 0.00 0.00 175.22 173.11 2vax n PRO 119 N 5.54 0.36 -2.06 10.12 -0.02 -1.26 -4.94 135.00 142.74 2vax n PRO 119 Ca 0.14 0.19 -0.41 0.00 -2.02 0.00 0.00 63.50 61.40 2vax n PRO 119 Cb 0.42 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 2vax n PRO 119 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2vax s ARG 120 N -3.82 4.30 0.17 -0.52 0.52 -1.26 -5.00 118.95 113.33 2vax s ARG 120 Ca 0.74 2.24 0.08 0.00 -0.52 0.00 0.00 55.73 58.27 2vax s ARG 120 Cb -0.31 -3.13 -0.04 0.00 0.52 0.00 0.00 34.95 31.98 2vax s ARG 120 CO 0.50 -0.38 -0.18 0.95 0.02 0.00 0.00 175.30 176.21 2vax s THR 121 N 0.04 1.80 0.38 0.02 -4.23 -1.26 -4.83 115.64 107.55 2vax s THR 121 Ca 0.59 -1.93 0.08 0.00 -1.18 0.00 0.00 61.69 59.24 2vax s THR 121 Cb -0.41 -1.85 -0.04 0.00 1.34 0.00 0.00 72.50 71.55 2vax s THR 121 CO 0.42 -0.34 0.23 0.42 -0.54 0.00 0.00 174.62 174.81 2vax s THR 122 N -2.12 2.80 0.18 3.99 -4.23 -1.26 -4.42 115.64 110.59 2vax s THR 122 Ca 0.16 -1.57 -0.12 0.00 -1.18 0.00 0.00 61.69 58.97 2vax s THR 122 Cb -0.05 -3.01 0.09 0.00 1.34 0.00 0.00 72.50 70.86 2vax s THR 122 CO 0.06 -0.09 1.79 0.40 -0.54 0.00 0.00 174.62 176.25 2vax h ILE 123 N 1.35 0.96 -0.45 2.99 1.08 -1.88 -2.26 117.51 119.30 2vax h ILE 123 Ca -0.43 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 63.86 2vax h ILE 123 Cb 1.26 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 35.37 2vax h ILE 123 CO 0.63 0.10 0.29 0.03 -0.69 0.00 0.00 178.15 178.51 2vax h ARG 124 N 0.53 0.59 -0.44 2.37 3.08 -1.95 -1.26 114.38 117.30 2vax h ARG 124 Ca 0.23 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 2vax h ARG 124 Cb 0.13 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2vax h ARG 124 CO -0.16 0.39 0.24 -0.44 -1.07 0.00 0.00 179.97 178.93 2vax h ASP 125 N 0.61 0.56 -0.36 7.04 3.32 -1.81 -1.31 116.42 124.47 2vax h ASP 125 Ca 0.16 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2vax h ASP 125 Cb -0.06 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 2vax h ASP 125 CO -0.03 0.49 0.20 0.44 -1.72 0.00 0.00 179.24 178.62 2vax h ASP 126 N 0.58 0.44 -0.82 6.45 3.32 -0.92 -1.37 116.42 124.10 2vax h ASP 126 Ca 0.15 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2vax h ASP 126 Cb 0.06 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 2vax h ASP 126 CO -0.02 0.39 0.48 0.58 -1.72 0.00 0.00 179.24 178.95 2vax h VAL 127 N 0.46 1.23 -0.21 -1.35 2.07 -1.17 -0.90 116.25 116.38 2vax h VAL 127 Ca 0.13 -0.52 -0.14 0.00 0.82 0.00 0.00 66.70 66.99 2vax h VAL 127 Cb 0.04 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 2vax h VAL 127 CO -0.02 0.25 -0.41 0.08 0.02 0.00 0.00 177.57 177.48 2vax h ARG 128 N 1.12 0.65 -0.19 1.57 -0.00 -0.89 -1.20 114.38 115.44 2vax h ARG 128 Ca 0.29 -0.42 -0.12 0.00 -0.00 0.00 0.00 59.98 59.74 2vax h ARG 128 Cb -0.03 0.05 -0.01 0.00 -0.00 0.00 0.00 29.97 29.98 2vax h ARG 128 CO -0.05 1.04 -0.38 0.97 -0.00 0.00 0.00 179.97 181.55 2vax h ILE 129 N 0.35 1.30 -0.54 0.08 2.10 -1.23 -2.47 117.51 117.09 2vax h ILE 129 Ca 0.01 -1.49 0.00 0.00 1.08 0.00 0.00 64.86 64.45 2vax h ILE 129 Cb 1.01 1.57 -0.03 0.00 -1.09 0.00 0.00 36.82 38.28 2vax h ILE 129 CO 0.09 0.46 0.34 0.45 -1.08 0.00 0.00 178.15 178.41 2vax h HIS 130 N 0.35 0.69 -0.73 2.19 3.86 -1.12 -2.38 115.15 118.01 2vax h HIS 130 Ca 0.04 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.34 2vax h HIS 130 Cb 0.82 -0.23 -0.07 0.00 1.06 0.00 0.00 27.41 29.00 2vax h HIS 130 CO 0.02 0.46 0.39 -0.09 0.86 0.00 0.00 177.93 179.58 2vax h ARG 131 N 0.72 0.66 -0.81 2.45 9.65 -0.96 -0.89 114.38 125.21 2vax h ARG 131 Ca 0.19 -0.04 0.06 0.00 -1.10 0.00 0.00 59.98 59.09 2vax h ARG 131 Cb -0.05 -0.15 -0.06 0.00 -1.39 0.00 0.00 29.97 28.33 2vax h ARG 131 CO -0.04 0.44 0.50 1.96 2.80 0.00 0.00 179.97 185.62 2vax h GLN 132 N 0.68 0.89 -0.04 0.20 4.20 -0.98 0.12 115.11 120.17 2vax h GLN 132 Ca 0.35 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 2vax h GLN 132 Cb 0.31 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 2vax h GLN 132 CO -0.24 0.59 0.01 0.28 -0.67 0.00 0.00 178.83 178.80 2vax h VAL 133 N 0.91 1.20 -0.96 -0.54 2.07 -0.97 -1.53 116.25 116.44 2vax h VAL 133 Ca 0.35 -0.62 0.17 0.00 0.82 0.00 0.00 66.70 67.42 2vax h VAL 133 Cb 0.15 1.54 -0.09 0.00 -1.52 0.00 0.00 31.29 31.37 2vax h VAL 133 CO -0.17 0.17 0.61 -0.07 0.02 0.00 0.00 177.57 178.13 2vax h LEU 134 N -0.16 0.69 -0.45 2.57 4.07 -0.55 -0.92 115.31 120.56 2vax h LEU 134 Ca 0.01 0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.01 2vax h LEU 134 Cb 0.26 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.91 2vax h LEU 134 CO 0.00 0.30 0.19 0.44 -1.08 0.00 0.00 178.44 178.29 2vax h ASP 135 N 0.70 0.62 -0.15 -0.43 3.32 -0.25 -1.85 116.42 118.39 2vax h ASP 135 Ca 0.51 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 2vax h ASP 135 Cb 0.86 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 2vax h ASP 135 CO -0.27 0.61 0.05 0.03 -1.72 0.00 0.00 179.24 177.94 2vax h ARG 136 N 0.59 0.29 0.00 3.56 3.08 -0.22 -1.13 114.38 120.55 2vax h ARG 136 Ca 0.15 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2vax h ARG 136 Cb 0.18 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2vax h ARG 136 CO -0.01 0.27 0.00 1.28 -1.07 0.00 0.00 179.97 180.44 2vax n LEU 137 N -4.42 0.06 0.00 3.04 4.77 -0.50 -4.91 117.00 115.04 2vax n LEU 137 Ca 0.00 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2vax n LEU 137 Cb 0.14 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 2vax n LEU 137 CO 0.36 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 2vax n GLY 138 N 0.84 0.61 3.74 -0.72 0.00 -0.43 -5.03 105.19 104.21 2vax n GLY 138 Ca 0.05 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 2vax n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vax s VAL 139 N -2.00 2.97 -0.06 1.61 1.01 -0.74 -4.89 120.40 118.30 2vax s VAL 139 Ca 0.00 0.82 0.09 0.00 0.00 0.00 0.00 61.98 62.89 2vax s VAL 139 Cb 0.00 -3.52 -0.13 0.00 0.00 0.00 0.00 36.38 32.73 2vax s VAL 139 CO 0.00 0.13 0.10 0.54 0.00 0.00 0.00 175.10 175.87 2vax n ARG 140 N 2.33 1.71 -3.69 2.72 1.74 -0.08 -4.68 116.66 116.70 2vax n ARG 140 Ca 0.06 -0.04 -0.14 0.00 -0.77 0.00 0.00 57.85 56.96 2vax n ARG 140 Cb 0.42 -1.24 -0.08 0.00 -1.02 0.00 0.00 32.46 30.54 2vax n ARG 140 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2vax s GLN 141 N -2.39 0.73 -0.28 5.56 0.74 -1.06 -4.86 119.66 118.10 2vax s GLN 141 Ca -0.04 0.11 -0.08 0.00 0.05 0.00 0.00 55.36 55.40 2vax s GLN 141 Cb 0.04 0.34 -0.01 0.00 1.10 0.00 0.00 33.01 34.47 2vax s GLN 141 CO 0.39 -0.19 0.09 0.42 -0.55 0.00 0.00 175.29 175.45 2vax s ILE 142 N -0.92 4.28 0.18 -2.34 1.01 0.82 -3.75 121.20 120.48 2vax s ILE 142 Ca -0.10 -0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.07 2vax s ILE 142 Cb -0.04 -3.10 0.07 0.00 0.01 0.00 0.00 42.46 39.41 2vax s ILE 142 CO 0.05 0.20 1.67 0.00 0.00 0.00 0.00 174.94 176.86 2vax h ALA 143 N 8.26 0.81 -2.02 9.38 0.00 -0.57 0.47 119.26 135.59 2vax h ALA 143 Ca -0.35 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.25 2vax h ALA 143 Cb 1.15 -0.23 -0.19 0.00 0.00 0.00 0.00 17.79 18.52 2vax h ALA 143 CO 0.59 0.55 0.16 0.00 0.00 0.00 0.00 179.25 180.55 2vax s ALA 144 N -5.24 -1.74 -0.14 0.00 0.00 -1.23 -2.97 121.76 110.45 2vax s ALA 144 Ca -0.12 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.26 2vax s ALA 144 Cb 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 2vax s ALA 144 CO 0.83 -0.36 -0.15 0.08 0.00 0.00 0.00 175.76 176.16 2vax s VAL 145 N -0.90 2.81 -0.07 0.00 1.01 -0.59 -0.75 120.40 121.91 2vax s VAL 145 Ca -0.09 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.17 2vax s VAL 145 Cb -0.01 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.21 2vax s VAL 145 CO 0.08 0.52 -0.12 -0.69 0.00 0.00 0.00 175.10 174.89 2vax s VAL 146 N 0.52 1.16 -0.13 2.92 1.01 0.22 0.40 120.40 126.49 2vax s VAL 146 Ca -0.10 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 2vax s VAL 146 Cb -0.16 -1.06 0.08 0.00 0.00 0.00 0.00 36.38 35.24 2vax s VAL 146 CO 0.04 0.36 0.76 -0.83 0.00 0.00 0.00 175.10 175.44 2vax s GLY 147 N 0.71 -0.49 -0.30 4.51 0.00 -0.75 -0.80 107.32 110.20 2vax s GLY 147 Ca -0.14 1.68 0.10 0.00 0.00 0.00 0.00 44.72 46.36 2vax s GLY 147 CO 0.03 1.20 1.16 0.00 0.00 0.00 0.00 173.10 175.49 2vax n ALA 148 N 1.35 4.56 0.00 3.20 0.00 -1.25 -0.17 120.51 128.21 2vax n ALA 148 Ca -0.16 -3.65 0.00 0.00 0.00 0.00 0.00 53.44 49.63 2vax n ALA 148 Cb 0.57 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.56 2vax n ALA 148 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2vax n MET 150 N -0.65 0.00 0.14 0.00 0.00 -1.26 -3.55 117.12 111.80 2vax n MET 150 Ca 0.36 0.00 0.10 0.00 -0.00 0.00 0.00 57.70 58.16 2vax n MET 150 Cb 0.90 0.00 0.60 0.00 0.00 0.00 0.00 33.22 34.72 2vax n MET 150 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 2vax h GLY 151 N 0.00 0.16 2.00 -5.12 0.00 -1.68 0.73 103.07 99.15 2vax h GLY 151 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 2vax h GLY 151 CO 0.00 0.05 -0.10 -1.33 0.00 0.00 0.00 176.54 175.16 2vax h GLY 152 N 0.14 0.00 0.80 4.60 0.00 -1.59 0.28 103.07 107.30 2vax h GLY 152 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.22 2vax h GLY 152 CO -0.01 0.00 -0.86 -0.33 0.00 0.00 0.00 176.54 175.34 2vax h MET 153 N 0.00 0.37 -0.31 4.80 2.86 -1.11 -1.86 114.93 119.68 2vax h MET 153 Ca -0.00 -0.56 -0.00 0.00 -2.06 0.00 0.00 59.70 57.08 2vax h MET 153 Cb 0.53 0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 2vax h MET 153 CO 0.01 1.24 0.19 0.45 1.06 0.00 0.00 176.91 179.87 2vax h HIS 154 N -0.21 0.41 -0.38 -0.22 -0.00 -1.36 -1.95 115.15 111.43 2vax h HIS 154 Ca -0.14 0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.31 2vax h HIS 154 Cb 1.64 -0.14 -0.09 0.00 -0.00 0.00 0.00 27.41 28.82 2vax h HIS 154 CO 0.17 0.30 -0.30 1.15 -0.00 0.00 0.00 177.93 179.25 2vax h THR 155 N 0.41 0.27 -0.84 2.45 2.02 -0.95 0.27 112.91 116.53 2vax h THR 155 Ca 0.11 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.36 2vax h THR 155 Cb 0.00 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 66.62 2vax h THR 155 CO -0.02 0.00 0.55 -0.07 0.37 0.00 0.00 175.52 176.35 2vax h LEU 156 N -0.24 0.82 -0.47 2.58 3.38 -1.19 -2.27 115.31 117.93 2vax h LEU 156 Ca 0.17 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 2vax h LEU 156 Cb 0.52 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2vax h LEU 156 CO -0.52 0.53 -0.61 -0.33 0.09 0.00 0.00 178.44 177.60 2vax h GLU 157 N 0.94 0.51 -0.96 1.13 4.39 -0.27 -3.04 114.58 117.29 2vax h GLU 157 Ca 0.36 -0.35 0.09 0.00 0.34 0.00 0.00 59.36 59.80 2vax h GLU 157 Cb 0.21 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.85 2vax h GLU 157 CO -0.13 0.97 0.62 -1.49 -1.16 0.00 0.00 179.01 177.82 2vax h TRP 158 N 0.38 1.09 -0.76 4.33 4.06 0.02 -2.32 115.95 122.76 2vax h TRP 158 Ca -0.01 0.03 0.22 0.00 2.06 0.00 0.00 58.89 61.19 2vax h TRP 158 Cb 1.17 -0.35 -0.03 0.00 -1.00 0.00 0.00 29.16 28.94 2vax h TRP 158 CO 0.05 0.51 0.55 0.00 -3.56 0.00 0.00 178.44 175.99 2vax h ALA 159 N 1.52 2.72 0.00 1.49 0.00 -1.36 -2.08 119.26 121.55 2vax h ALA 159 Ca 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2vax h ALA 159 Cb 0.33 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2vax h ALA 159 CO -0.20 -0.94 0.00 1.19 0.00 0.00 0.00 179.25 179.31 2vax n PHE 160 N -4.31 0.00 0.34 0.00 3.01 -0.87 -1.06 117.46 114.57 2vax n PHE 160 Ca 0.15 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.76 2vax n PHE 160 Cb 0.83 -0.20 0.60 0.00 -0.01 0.00 0.00 39.48 40.70 2vax n PHE 160 CO 0.00 0.00 0.00 0.74 1.01 0.00 0.00 176.76 178.51 2vax h PHE 161 N 0.00 0.00 0.00 1.38 0.05 -1.56 -3.49 116.94 113.31 2vax h PHE 161 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 2vax h PHE 161 Cb 0.14 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.09 2vax h PHE 161 CO 0.00 0.00 0.00 0.41 -0.18 0.00 0.00 178.31 178.54 2vax n GLY 162 N -0.09 0.76 0.12 -1.45 0.00 -0.22 -4.48 105.19 99.84 2vax n GLY 162 Ca 0.01 -1.85 0.11 0.00 0.00 0.00 0.00 46.02 44.29 2vax n GLY 162 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2vax n PRO 163 N 1.00 0.18 -0.16 1.61 -0.04 -1.25 -1.59 135.00 134.74 2vax n PRO 163 Ca 0.00 0.42 -0.09 0.00 -0.04 0.00 0.00 63.50 63.79 2vax n PRO 163 Cb 0.00 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 2vax n PRO 163 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2vax h GLU 164 N 0.00 0.73 0.02 0.54 5.08 -1.98 -3.37 114.58 115.61 2vax h GLU 164 Ca 0.00 -0.16 -0.39 0.00 -1.00 0.00 0.00 59.36 57.81 2vax h GLU 164 Cb 0.34 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 2vax h GLU 164 CO 0.00 0.70 -2.41 0.98 -1.00 0.00 0.00 179.01 177.28 2vax n TYR 165 N -4.52 0.17 -3.99 4.33 9.36 -1.04 -4.88 117.16 116.59 2vax n TYR 165 Ca 0.01 0.04 -0.34 0.00 3.32 0.00 0.00 57.90 60.93 2vax n TYR 165 Cb 0.20 -1.02 -0.15 0.00 -0.63 0.00 0.00 39.34 37.74 2vax n TYR 165 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2vax s VAL 166 N -2.52 2.68 0.04 2.97 1.01 -0.62 -0.13 120.40 123.83 2vax s VAL 166 Ca -0.33 -1.10 -0.08 0.00 0.00 0.00 0.00 61.98 60.46 2vax s VAL 166 Cb 0.09 -2.37 -0.31 0.00 0.00 0.00 0.00 36.38 33.79 2vax s VAL 166 CO 0.62 0.21 1.00 0.03 0.00 0.00 0.00 175.10 176.96 2vax h ARG 167 N 7.97 0.37 -3.31 2.72 3.08 -1.07 -3.33 114.38 120.80 2vax h ARG 167 Ca -0.32 -0.63 -0.11 0.00 0.07 0.00 0.00 59.98 58.98 2vax h ARG 167 Cb 1.10 0.23 -0.18 0.00 0.08 0.00 0.00 29.97 31.20 2vax h ARG 167 CO 0.57 1.28 -0.33 0.15 -1.07 0.00 0.00 179.97 180.57 2vax s LYS 168 N -2.62 0.69 0.06 0.04 1.02 -1.16 -4.03 119.74 113.74 2vax s LYS 168 Ca -0.08 -0.43 0.06 0.00 0.02 0.00 0.00 55.97 55.55 2vax s LYS 168 Cb 0.06 0.30 -0.03 0.00 -0.52 0.00 0.00 37.83 37.64 2vax s LYS 168 CO 0.90 -0.20 -0.17 0.96 -0.92 0.00 0.00 175.35 175.92 2vax s ILE 169 N -2.01 1.36 -0.49 2.17 -4.36 -0.84 -1.55 121.20 115.49 2vax s ILE 169 Ca -0.09 -1.25 0.04 0.00 -0.26 0.00 0.00 60.65 59.09 2vax s ILE 169 Cb -0.03 -1.24 0.16 0.00 1.25 0.00 0.00 42.46 42.60 2vax s ILE 169 CO -0.00 -0.03 0.35 -0.69 0.24 0.00 0.00 174.94 174.81 2vax s VAL 170 N -1.02 1.17 0.04 8.37 1.01 0.16 -1.84 120.40 128.28 2vax s VAL 170 Ca 0.03 -2.98 -0.30 0.00 0.00 0.00 0.00 61.98 58.72 2vax s VAL 170 Cb -0.09 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2vax s VAL 170 CO 0.02 -1.10 1.01 -2.16 0.00 0.00 0.00 175.10 172.87 2vax s PRO 171 N -0.21 4.58 -0.09 2.72 0.04 -1.19 -1.81 135.00 139.05 2vax s PRO 171 Ca 0.27 1.48 0.02 0.00 0.04 0.00 0.00 61.00 62.81 2vax s PRO 171 Cb -0.05 -3.42 0.01 0.00 0.04 0.00 0.00 34.50 31.08 2vax s PRO 171 CO -0.14 -0.01 -0.15 0.42 0.04 0.00 0.00 177.00 177.16 2vax s ILE 172 N 0.74 1.40 -0.97 0.56 1.01 0.77 -2.59 121.20 122.12 2vax s ILE 172 Ca 0.52 -0.61 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 2vax s ILE 172 Cb -0.23 -1.27 -0.00 0.00 0.01 0.00 0.00 42.46 40.97 2vax s ILE 172 CO 0.29 0.42 0.73 0.00 0.00 0.00 0.00 174.94 176.37 2vax n ALA 173 N 3.94 -2.61 -3.66 9.38 0.00 -0.13 -4.03 120.51 123.41 2vax n ALA 173 Ca -0.21 -0.19 -0.06 0.00 0.00 0.00 0.00 53.44 52.98 2vax n ALA 173 Cb 0.52 -2.68 -0.01 0.00 0.00 0.00 0.00 19.45 17.28 2vax n ALA 173 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2vax n THR 174 N -3.24 0.00 -4.18 0.00 5.66 -1.26 -4.73 114.28 106.53 2vax n THR 174 Ca -0.13 -1.03 -0.11 0.00 -3.05 0.00 0.00 64.05 59.73 2vax n THR 174 Cb 0.60 0.73 -0.10 0.00 -1.55 0.00 0.00 70.33 70.01 2vax n THR 174 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2vax s SER 175 N -2.48 0.39 0.31 1.09 1.04 -1.26 -4.78 113.70 108.01 2vax s SER 175 Ca 0.17 -1.26 0.25 0.00 0.48 0.00 0.00 55.95 55.59 2vax s SER 175 Cb -0.02 0.29 0.74 0.00 0.10 0.00 0.00 66.02 67.13 2vax s SER 175 CO 0.12 -0.74 1.74 0.00 0.98 0.00 0.00 173.24 175.34 2vax s ARG 177 N -3.20 0.88 0.20 0.00 3.52 -1.26 -1.18 118.95 117.91 2vax s ARG 177 Ca 0.08 0.09 -0.33 0.00 -0.13 0.00 0.00 55.73 55.45 2vax s ARG 177 Cb 0.10 0.41 -0.13 0.00 -1.56 0.00 0.00 34.95 33.77 2vax s ARG 177 CO 0.59 -0.30 1.60 0.94 -0.81 0.00 0.00 175.30 177.32 2vax n GLN 178 N 0.60 2.36 -4.04 5.12 -0.06 -0.44 -4.96 117.38 115.96 2vax n GLN 178 Ca -0.14 0.85 -0.21 0.00 -2.00 0.00 0.00 57.00 55.49 2vax n GLN 178 Cb 0.59 -2.63 -0.03 0.00 -4.06 0.00 0.00 30.24 24.11 2vax n GLN 178 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2vax s SER 179 N 0.85 5.78 0.25 1.69 1.04 -1.26 -5.01 113.70 117.04 2vax s SER 179 Ca 0.75 -0.16 -0.05 0.00 0.48 0.00 0.00 55.95 56.97 2vax s SER 179 Cb -0.61 -1.53 0.32 0.00 0.10 0.00 0.00 66.02 64.31 2vax s SER 179 CO 0.39 -0.07 1.89 1.23 0.98 0.00 0.00 173.24 177.66 2vax h GLY 180 N 1.36 1.39 0.64 7.32 0.00 -1.99 -1.46 103.07 110.33 2vax h GLY 180 Ca -0.49 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.35 2vax h GLY 180 CO 0.61 0.37 -0.51 -0.25 0.00 0.00 0.00 176.54 176.76 2vax h TRP 181 N 1.16 -1.39 -0.63 5.60 -0.00 -1.97 -0.85 115.95 117.87 2vax h TRP 181 Ca 0.39 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 59.22 2vax h TRP 181 Cb 0.05 0.52 -0.03 0.00 -0.00 0.00 0.00 29.16 29.71 2vax h TRP 181 CO -0.01 -0.71 0.18 0.00 -0.00 0.00 0.00 178.44 177.90 2vax h ALA 183 N 1.06 1.00 -0.42 0.00 0.00 -1.16 -1.18 119.26 118.57 2vax h ALA 183 Ca 0.20 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 2vax h ALA 183 Cb 0.32 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2vax h ALA 183 CO -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.10 2vax h ALA 184 N 1.49 0.57 -0.59 0.00 0.00 -0.48 0.83 119.26 121.07 2vax h ALA 184 Ca 0.38 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2vax h ALA 184 Cb 0.51 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2vax h ALA 184 CO -0.34 0.35 0.18 -1.49 0.00 0.00 0.00 179.25 177.94 2vax h TRP 185 N 0.58 0.96 0.02 0.00 4.06 -0.86 -0.53 115.95 120.17 2vax h TRP 185 Ca 0.12 -0.10 -0.23 0.00 2.06 0.00 0.00 58.89 60.74 2vax h TRP 185 Cb 0.48 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 28.36 2vax h TRP 185 CO 0.04 0.80 -0.96 0.74 -3.56 0.00 0.00 178.44 175.50 2vax h PHE 186 N 0.84 0.54 -0.14 0.49 -1.00 -1.14 -2.34 116.94 114.20 2vax h PHE 186 Ca 0.19 -0.31 -0.01 0.00 2.81 0.00 0.00 57.97 60.66 2vax h PHE 186 Cb 0.30 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 2vax h PHE 186 CO 0.02 1.14 0.06 1.49 -1.61 0.00 0.00 178.31 179.40 2vax h GLU 187 N 0.19 0.20 -0.83 1.51 4.57 -0.78 0.22 114.58 119.65 2vax h GLU 187 Ca -0.08 -0.03 0.20 0.00 -1.18 0.00 0.00 59.36 58.27 2vax h GLU 187 Cb 1.61 -0.03 -0.15 0.00 -0.16 0.00 0.00 28.75 30.02 2vax h GLU 187 CO 0.16 0.28 0.05 1.15 -1.18 0.00 0.00 179.01 179.47 2vax h THR 188 N 0.08 0.26 -0.18 0.32 2.02 -1.11 0.34 112.91 114.64 2vax h THR 188 Ca 0.05 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 2vax h THR 188 Cb 0.15 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 2vax h THR 188 CO -0.00 0.02 0.06 1.56 0.37 0.00 0.00 175.52 177.52 2vax h GLN 189 N 0.10 0.27 -1.00 6.66 4.20 -0.79 -2.17 115.11 122.39 2vax h GLN 189 Ca 0.48 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 59.15 2vax h GLN 189 Cb 0.90 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.59 2vax h GLN 189 CO -0.72 0.38 0.66 0.00 -0.67 0.00 0.00 178.83 178.48 2vax h ARG 190 N 0.11 1.28 -0.71 1.46 3.08 -0.19 -1.86 114.38 117.55 2vax h ARG 190 Ca 0.06 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.04 2vax h ARG 190 Cb 0.22 -0.29 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 2vax h ARG 190 CO -0.00 0.85 0.47 1.96 -1.07 0.00 0.00 179.97 182.18 2vax h GLN 191 N 1.32 0.92 -0.95 0.04 4.20 0.19 0.30 115.11 121.13 2vax h GLN 191 Ca 0.38 -0.06 0.14 0.00 0.06 0.00 0.00 58.65 59.17 2vax h GLN 191 Cb -0.10 -0.21 -0.08 0.00 0.30 0.00 0.00 27.48 27.39 2vax h GLN 191 CO -0.10 0.61 0.60 0.00 -0.67 0.00 0.00 178.83 179.28 2vax h ILE 193 N 0.82 1.52 -0.93 0.00 2.04 -0.76 -3.10 117.51 117.11 2vax h ILE 193 Ca 0.49 -1.97 0.15 0.00 1.00 0.00 0.00 64.86 64.53 2vax h ILE 193 Cb 0.66 2.73 -0.08 0.00 -0.74 0.00 0.00 36.82 39.39 2vax h ILE 193 CO -0.25 0.55 0.59 1.88 0.00 0.00 0.00 178.15 180.92 2vax h TYR 194 N -0.42 0.89 -0.00 1.37 0.05 0.06 -1.79 116.97 117.13 2vax h TYR 194 Ca -0.04 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2vax h TYR 194 Cb 1.06 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.53 2vax h TYR 194 CO 0.17 0.31 -0.10 -0.25 -1.05 0.00 0.00 178.16 177.24 2vax n ASP 195 N -4.59 0.40 -4.66 3.88 8.00 0.30 -4.75 116.55 115.12 2vax n ASP 195 Ca 0.19 -0.50 -0.43 0.00 0.71 0.00 0.00 54.79 54.75 2vax n ASP 195 Cb 0.48 -0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.46 2vax n ASP 195 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2vax s ASP 196 N -2.49 7.06 0.27 -2.24 -1.08 -0.67 -4.90 116.67 112.60 2vax s ASP 196 Ca 0.29 1.53 0.21 0.00 -0.52 0.00 0.00 52.55 54.05 2vax s ASP 196 Cb 0.20 -2.54 1.01 0.00 -1.46 0.00 0.00 42.92 40.13 2vax s ASP 196 CO 0.48 -0.68 1.64 -0.81 0.52 0.00 0.00 175.17 176.32 2vax n PRO 197 N 6.23 0.15 0.01 4.34 -0.04 -1.26 -1.15 135.00 143.28 2vax n PRO 197 Ca 0.12 0.52 0.14 0.00 -0.04 0.00 0.00 63.50 64.24 2vax n PRO 197 Cb 0.46 -1.88 0.54 0.00 -0.04 0.00 0.00 33.50 32.58 2vax n PRO 197 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2vax n LYS 198 N -2.18 0.02 -0.24 0.54 5.02 -1.26 -3.79 118.16 116.27 2vax n LYS 198 Ca 0.00 0.02 -0.08 0.00 -2.02 0.00 0.00 58.31 56.23 2vax n LYS 198 Cb 0.12 -1.52 0.04 0.00 -0.02 0.00 0.00 35.03 33.65 2vax n LYS 198 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 2vax h TYR 199 N 0.00 1.15 -6.42 2.13 5.03 -1.41 -3.40 116.97 114.06 2vax h TYR 199 Ca 0.00 -0.15 -0.49 0.00 2.58 0.00 0.00 58.73 60.67 2vax h TYR 199 Cb 0.52 -0.32 -0.08 0.00 1.55 0.00 0.00 36.73 38.40 2vax h TYR 199 CO 0.00 0.96 -0.78 1.28 -1.32 0.00 0.00 178.16 178.29 2vax n LEU 200 N -4.25 -2.35 -0.85 2.82 4.77 -1.25 -0.85 117.00 115.04 2vax n LEU 200 Ca 0.04 -0.85 -0.11 0.00 -0.03 0.00 0.00 56.01 55.06 2vax n LEU 200 Cb 0.27 -2.43 -0.05 0.00 -2.33 0.00 0.00 43.42 38.89 2vax n LEU 200 CO 0.42 0.42 -0.11 0.47 -1.33 0.00 0.00 177.39 177.27 2vax n ASP 201 N -2.80 -4.51 0.00 -1.43 9.92 -1.26 -1.93 116.55 114.54 2vax n ASP 201 Ca 0.03 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 2vax n ASP 201 Cb 0.53 -2.99 0.00 0.00 -0.64 0.00 0.00 41.12 38.02 2vax n ASP 201 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2vax n GLY 202 N -1.39 0.65 1.05 0.44 0.00 -0.03 -4.90 105.19 101.01 2vax n GLY 202 Ca -0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.02 2vax n GLY 202 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2vax n GLU 203 N -2.03 2.35 -1.55 1.61 -0.58 -0.81 -3.89 120.64 115.74 2vax n GLU 203 Ca 0.00 -2.06 -0.42 0.00 -0.42 0.00 0.00 57.16 54.27 2vax n GLU 203 Cb 0.00 -1.48 0.01 0.00 -0.57 0.00 0.00 31.44 29.40 2vax n GLU 203 CO 0.00 0.00 0.00 2.48 -0.48 0.00 0.00 177.13 179.13 2vax n TYR 204 N 1.23 0.51 -2.34 -0.32 0.18 -1.17 -4.92 117.16 110.32 2vax n TYR 204 Ca 0.19 0.59 -0.41 0.00 1.88 0.00 0.00 57.90 60.15 2vax n TYR 204 Cb 0.53 -2.13 -0.03 0.00 -0.38 0.00 0.00 39.34 37.32 2vax n TYR 204 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2vax s ASP 205 N -0.84 7.06 0.64 9.48 2.15 -1.26 -4.90 116.67 129.00 2vax s ASP 205 Ca 0.64 2.34 0.29 0.00 0.43 0.00 0.00 52.55 56.25 2vax s ASP 205 Cb -0.58 -2.62 1.56 0.00 -0.30 0.00 0.00 42.92 40.98 2vax s ASP 205 CO 0.57 -0.35 1.91 1.62 -0.17 0.00 0.00 175.17 178.74 2vax h VAL 206 N 3.44 0.13 -0.35 1.11 3.04 -2.00 0.28 116.25 121.91 2vax h VAL 206 Ca -0.46 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.19 2vax h VAL 206 Cb 1.22 0.65 -0.02 0.00 -2.01 0.00 0.00 31.29 31.12 2vax h VAL 206 CO 0.71 0.00 0.02 0.47 -1.01 0.00 0.00 177.57 177.76 2vax n ASP 207 N -3.18 4.03 -3.15 3.17 8.00 -1.26 -4.41 116.55 119.76 2vax n ASP 207 Ca 0.01 -3.11 -0.17 0.00 0.71 0.00 0.00 54.79 52.23 2vax n ASP 207 Cb 0.47 -0.59 -0.02 0.00 -0.02 0.00 0.00 41.12 40.96 2vax n ASP 207 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2vax n ASP 208 N -0.43 0.53 -4.74 -2.24 2.03 0.99 -5.14 116.55 107.55 2vax n ASP 208 Ca 0.25 -3.07 -0.34 0.00 0.52 0.00 0.00 54.79 52.15 2vax n ASP 208 Cb 0.99 -0.38 0.07 0.00 -0.72 0.00 0.00 41.12 41.08 2vax n ASP 208 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2vax s GLN 209 N -2.16 2.46 -1.03 -0.67 -1.52 -1.25 -4.41 119.66 111.08 2vax s GLN 209 Ca 0.38 1.65 -0.22 0.00 -1.95 0.00 0.00 55.36 55.23 2vax s GLN 209 Cb 0.34 -1.88 -0.10 0.00 -0.22 0.00 0.00 33.01 31.15 2vax s GLN 209 CO -0.08 -1.57 1.93 -0.35 -0.25 0.00 0.00 175.29 174.97 2vax n PRO 210 N -2.47 1.74 -0.13 2.91 -0.04 -1.26 -4.74 135.00 131.00 2vax n PRO 210 Ca 0.12 -2.28 -0.07 0.00 -0.04 0.00 0.00 63.50 61.23 2vax n PRO 210 Cb 0.51 -3.36 0.09 0.00 -0.04 0.00 0.00 33.50 30.70 2vax n PRO 210 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2vax h VAL 211 N 5.32 1.26 -0.16 0.52 2.07 -1.92 -1.92 116.25 121.43 2vax h VAL 211 Ca 0.34 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 2vax h VAL 211 Cb 0.81 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2vax h VAL 211 CO 1.58 0.41 0.05 0.03 0.02 0.00 0.00 177.57 179.66 2vax h ARG 212 N 0.79 0.24 -0.27 1.57 2.47 -1.97 -0.10 114.38 117.11 2vax h ARG 212 Ca 0.13 -0.05 0.07 0.00 -1.26 0.00 0.00 59.98 58.86 2vax h ARG 212 Cb 0.61 -0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 28.82 2vax h ARG 212 CO 0.04 0.36 -0.23 0.78 0.56 0.00 0.00 179.97 181.49 2vax h GLY 213 N 0.08 -0.10 0.97 0.04 0.00 -1.72 -0.43 103.07 101.91 2vax h GLY 213 Ca 0.05 0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.66 2vax h GLY 213 CO -0.00 -0.19 -0.05 1.41 0.00 0.00 0.00 176.54 177.71 2vax h LEU 214 N -0.22 -0.12 -0.62 3.11 3.38 -1.22 0.05 115.31 119.68 2vax h LEU 214 Ca 0.15 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.25 2vax h LEU 214 Cb 0.44 0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.11 2vax h LEU 214 CO -0.40 -0.08 -0.13 -0.33 0.09 0.00 0.00 178.44 177.59 2vax h GLU 215 N -0.12 0.01 0.03 1.13 5.08 -0.84 -0.64 114.58 119.24 2vax h GLU 215 Ca -0.01 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2vax h GLU 215 Cb 0.10 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2vax h GLU 215 CO 0.01 0.01 -0.01 1.15 -1.00 0.00 0.00 179.01 179.16 2vax h THR 216 N 0.01 1.19 -0.89 1.13 2.02 -0.56 0.12 112.91 115.93 2vax h THR 216 Ca 0.30 -0.68 0.17 0.00 0.77 0.00 0.00 66.41 66.97 2vax h THR 216 Cb 0.47 1.64 -0.16 0.00 -1.74 0.00 0.00 68.15 68.35 2vax h THR 216 CO -0.63 0.17 -0.27 0.00 0.37 0.00 0.00 175.52 175.17 2vax h ALA 217 N 0.62 0.45 -0.04 6.16 0.00 -0.78 -1.22 119.26 124.46 2vax h ALA 217 Ca -0.00 0.32 -0.20 0.00 0.00 0.00 0.00 54.91 55.03 2vax h ALA 217 Cb 0.31 0.76 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2vax h ALA 217 CO 0.01 -0.46 -0.81 -0.09 0.00 0.00 0.00 179.25 177.89 2vax h ARG 218 N -0.02 0.37 -0.58 0.00 2.43 -0.71 -1.36 114.38 114.51 2vax h ARG 218 Ca 0.40 -0.34 0.08 0.00 -0.81 0.00 0.00 59.98 59.31 2vax h ARG 218 Cb 0.64 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.21 2vax h ARG 218 CO -0.92 1.00 0.25 0.87 -1.51 0.00 0.00 179.97 179.66 2vax h LYS 219 N 0.23 0.44 0.57 0.20 1.57 -0.24 1.15 116.57 120.50 2vax h LYS 219 Ca -0.05 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2vax h LYS 219 Cb 1.41 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2vax h LYS 219 CO 0.14 0.29 -0.29 0.82 -0.57 0.00 0.00 179.45 179.84 2vax h ILE 220 N 0.45 0.41 -0.54 1.86 2.04 -1.10 -2.32 117.51 118.31 2vax h ILE 220 Ca 0.28 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.20 2vax h ILE 220 Cb 0.30 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 2vax h ILE 220 CO -0.25 0.00 0.25 0.00 0.00 0.00 0.00 178.15 178.14 2vax h ALA 221 N -0.36 0.69 -0.50 1.87 0.00 -0.78 -0.52 119.26 119.67 2vax h ALA 221 Ca -0.08 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2vax h ALA 221 Cb 0.61 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2vax h ALA 221 CO 0.12 -0.12 0.33 -0.91 0.00 0.00 0.00 179.25 178.67 2vax h ASN 222 N 0.47 0.45 0.47 0.00 2.35 0.15 -1.60 115.58 117.87 2vax h ASN 222 Ca 0.25 -0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.73 2vax h ASN 222 Cb 0.21 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 38.49 2vax h ASN 222 CO -0.21 0.31 -1.16 -0.07 -1.65 0.00 0.00 177.43 174.65 2vax h LEU 223 N 0.52 0.53 -2.63 1.61 3.38 -0.66 -2.69 115.31 115.36 2vax h LEU 223 Ca 0.20 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 2vax h LEU 223 Cb 0.16 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2vax h LEU 223 CO -0.05 1.36 -0.01 0.71 0.09 0.00 0.00 178.44 180.53 2vax h THR 224 N 0.15 0.14 0.00 0.22 1.35 -0.51 -1.79 112.91 112.46 2vax h THR 224 Ca -0.13 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 2vax h THR 224 Cb 1.85 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.36 2vax h THR 224 CO 0.20 0.01 0.00 -1.22 -0.25 0.00 0.00 175.52 174.26 2vax n TYR 225 N -3.26 0.20 -3.15 4.73 4.01 -0.66 -4.44 117.16 114.59 2vax n TYR 225 Ca -0.02 0.06 -0.18 0.00 -0.16 0.00 0.00 57.90 57.59 2vax n TYR 225 Cb 0.12 -0.60 0.01 0.00 -0.31 0.00 0.00 39.34 38.56 2vax n TYR 225 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2vax s LYS 226 N -3.03 2.67 0.39 -0.72 -0.14 -0.67 -1.13 119.74 117.10 2vax s LYS 226 Ca 0.12 -1.39 0.08 0.00 -1.36 0.00 0.00 55.97 53.42 2vax s LYS 226 Cb 0.17 -2.64 -0.06 0.00 -1.68 0.00 0.00 37.83 33.61 2vax s LYS 226 CO 0.51 -0.36 0.07 -1.54 -0.76 0.00 0.00 175.35 173.27 2vax s SER 227 N -4.36 4.16 0.03 2.83 1.04 -1.24 -4.51 113.70 111.66 2vax s SER 227 Ca 0.54 -1.14 -0.25 0.00 0.48 0.00 0.00 55.95 55.58 2vax s SER 227 Cb -0.08 -0.47 -0.17 0.00 0.10 0.00 0.00 66.02 65.40 2vax s SER 227 CO 0.33 -0.41 1.44 0.50 0.98 0.00 0.00 173.24 176.07 2vax h LYS 228 N 1.67 -0.23 -0.85 4.02 3.64 -1.90 -2.44 116.57 120.47 2vax h LYS 228 Ca -0.43 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.05 2vax h LYS 228 Cb 1.25 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 33.06 2vax h LYS 228 CO 0.72 0.03 0.55 -1.35 -2.27 0.00 0.00 179.45 177.14 2vax h PRO 229 N -0.48 0.82 -0.30 1.90 0.11 -1.97 0.89 132.00 132.98 2vax h PRO 229 Ca -0.02 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 2vax h PRO 229 Cb 0.37 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 2vax h PRO 229 CO 0.04 0.55 0.07 0.00 -0.21 0.00 0.00 178.00 178.45 2vax h ALA 230 N 1.57 0.40 -0.28 -0.75 0.00 -1.68 -1.69 119.26 116.82 2vax h ALA 230 Ca 0.39 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 2vax h ALA 230 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2vax h ALA 230 CO -0.15 0.06 -0.38 0.52 0.00 0.00 0.00 179.25 179.30 2vax h MET 231 N 0.32 0.66 -0.92 0.00 2.86 -0.91 -2.55 114.93 114.39 2vax h MET 231 Ca 0.09 -0.33 0.02 0.00 -2.06 0.00 0.00 59.70 57.42 2vax h MET 231 Cb 0.30 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.91 2vax h MET 231 CO 0.00 0.93 0.61 -0.44 1.06 0.00 0.00 176.91 179.07 2vax h ASP 232 N 0.55 1.03 -0.09 1.22 3.32 -0.72 -0.64 116.42 121.08 2vax h ASP 232 Ca 0.05 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 2vax h ASP 232 Cb 0.90 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 2vax h ASP 232 CO 0.08 0.73 -0.33 -0.33 -1.72 0.00 0.00 179.24 177.67 2vax h GLU 233 N 1.20 0.58 0.00 3.56 5.08 -1.21 -3.25 114.58 120.55 2vax h GLU 233 Ca 0.35 -0.26 -0.19 0.00 -1.00 0.00 0.00 59.36 58.26 2vax h GLU 233 Cb -0.08 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2vax h GLU 233 CO -0.09 0.84 -0.86 -0.09 -1.00 0.00 0.00 179.01 177.81 2vax h ARG 234 N 0.49 0.14 -3.44 2.33 2.43 -1.00 -3.43 114.38 111.90 2vax h ARG 234 Ca 0.06 -0.15 -0.45 0.00 -0.81 0.00 0.00 59.98 58.62 2vax h ARG 234 Cb 0.81 0.04 -0.39 0.00 -0.42 0.00 0.00 29.97 30.01 2vax h ARG 234 CO 0.07 0.91 -0.76 -0.06 -1.51 0.00 0.00 179.97 178.62 2vax s PHE 235 N -3.19 0.54 0.00 2.20 0.40 -0.29 -3.93 117.98 113.70 2vax s PHE 235 Ca -0.02 -0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 2vax s PHE 235 Cb 0.10 -0.77 0.00 0.00 0.51 0.00 0.00 43.02 42.86 2vax s PHE 235 CO 0.82 -0.41 0.00 -2.39 0.70 0.00 0.00 175.22 173.93 2vax n HIS 236 N 5.18 0.00 -2.79 0.36 1.44 -1.26 -4.47 115.22 113.68 2vax n HIS 236 Ca -0.07 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.27 2vax n HIS 236 Cb 0.49 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.60 2vax n HIS 236 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 2vax n MET 237 N 0.00 4.63 0.00 -1.40 2.81 -1.26 -1.52 117.12 120.38 2vax n MET 237 Ca 0.00 -4.71 0.00 0.00 -1.81 0.00 0.00 57.70 51.18 2vax n MET 237 Cb 0.00 -2.40 0.00 0.00 -0.71 0.00 0.00 33.22 30.11 2vax n MET 237 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2vax n GLN 269 N 0.07 0.00 -1.75 0.03 7.27 -1.25 -5.06 117.38 116.69 2vax n GLN 269 Ca 0.40 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 57.15 2vax n GLN 269 Cb 0.31 0.00 0.04 0.00 2.41 0.00 0.00 30.24 33.00 2vax n GLN 269 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2vax s PRO 270 N 0.00 3.03 0.60 3.69 0.04 -1.26 -4.04 135.00 137.06 2vax s PRO 270 Ca 0.00 1.09 0.30 0.00 0.04 0.00 0.00 61.00 62.43 2vax s PRO 270 Cb 0.00 -2.00 1.76 0.00 0.04 0.00 0.00 34.50 34.30 2vax s PRO 270 CO 0.00 -1.03 2.16 0.82 0.04 0.00 0.00 177.00 178.99 2vax h ILE 271 N -0.25 0.43 -0.88 0.56 2.04 -1.60 -0.23 117.51 117.57 2vax h ILE 271 Ca -0.45 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.55 2vax h ILE 271 Cb 1.22 0.89 -0.07 0.00 -0.74 0.00 0.00 36.82 38.11 2vax h ILE 271 CO 0.56 0.00 0.57 -0.33 0.00 0.00 0.00 178.15 178.95 2vax h GLU 272 N 0.00 0.67 0.00 2.37 3.07 -1.93 -2.80 114.58 115.97 2vax h GLU 272 Ca 0.05 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2vax h GLU 272 Cb 0.33 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 2vax h GLU 272 CO -0.00 0.45 0.00 0.00 -1.40 0.00 0.00 179.01 178.06 2vax h ALA 273 N 1.60 1.00 -0.57 3.43 0.00 -1.41 -3.27 119.26 120.04 2vax h ALA 273 Ca 0.44 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.44 2vax h ALA 273 Cb 0.69 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 2vax h ALA 273 CO -0.20 0.00 0.17 0.28 0.00 0.00 0.00 179.25 179.50 2vax h VAL 274 N 0.00 0.73 -0.15 0.00 2.07 -1.61 -1.69 116.25 115.59 2vax h VAL 274 Ca 0.00 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.46 2vax h VAL 274 Cb 0.63 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 2vax h VAL 274 CO 0.00 0.06 -0.37 -1.28 0.02 0.00 0.00 177.57 176.00 2vax h SER 275 N 0.32 -1.15 1.22 0.57 0.87 -1.78 -0.84 113.55 112.77 2vax h SER 275 Ca 0.29 0.16 -0.15 0.00 -1.23 0.00 0.00 61.79 60.87 2vax h SER 275 Cb 0.38 0.48 -0.02 0.00 -0.44 0.00 0.00 62.40 62.80 2vax h SER 275 CO -0.33 -0.39 -0.69 0.77 -0.53 0.00 0.00 176.83 175.66 2vax h SER 276 N -0.43 0.00 -0.94 6.23 4.64 -1.75 -2.46 113.55 118.83 2vax h SER 276 Ca 0.09 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.51 2vax h SER 276 Cb 0.59 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.60 2vax h SER 276 CO -0.39 0.69 0.58 0.22 -0.87 0.00 0.00 176.83 177.07 2vax h TYR 277 N 0.00 1.06 -0.34 4.77 5.03 -0.87 -0.14 116.97 126.48 2vax h TYR 277 Ca -0.01 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 61.22 2vax h TYR 277 Cb 1.49 -0.33 -0.01 0.00 1.55 0.00 0.00 36.73 39.43 2vax h TYR 277 CO 0.00 0.44 -0.24 -0.07 -1.32 0.00 0.00 178.16 176.97 2vax h LEU 278 N 0.95 0.80 -0.95 2.82 3.38 -0.86 -3.16 115.31 118.30 2vax h LEU 278 Ca 0.45 -0.44 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2vax h LEU 278 Cb 0.40 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2vax h LEU 278 CO -0.25 1.06 -0.28 0.03 0.09 0.00 0.00 178.44 179.10 2vax h ARG 279 N 0.54 0.43 0.00 1.13 2.47 -1.13 -3.28 114.38 114.54 2vax h ARG 279 Ca 0.07 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 2vax h ARG 279 Cb 0.80 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 2vax h ARG 279 CO 0.06 0.67 0.00 0.98 0.56 0.00 0.00 179.97 182.25 2vax n TYR 280 N -4.11 0.00 -0.30 3.04 9.36 -0.09 -1.04 117.16 124.02 2vax n TYR 280 Ca -0.01 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.15 2vax n TYR 280 Cb 0.42 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.07 2vax n TYR 280 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 2vax n GLN 281 N -0.46 -0.29 -0.29 2.98 6.02 -1.25 -2.06 117.38 122.03 2vax n GLN 281 Ca 0.00 1.09 -0.04 0.00 -0.01 0.00 0.00 57.00 58.04 2vax n GLN 281 Cb 0.00 -1.60 0.08 0.00 1.02 0.00 0.00 30.24 29.74 2vax n GLN 281 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2vax h ALA 282 N 0.47 1.02 -0.32 -1.58 0.00 -1.60 -1.94 119.26 115.31 2vax h ALA 282 Ca 0.14 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2vax h ALA 282 Cb 0.32 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2vax h ALA 282 CO -0.68 0.43 0.21 1.96 0.00 0.00 0.00 179.25 181.16 2vax h GLN 283 N 1.09 0.41 -0.59 0.00 4.20 -0.49 -0.99 115.11 118.74 2vax h GLN 283 Ca 0.30 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.89 2vax h GLN 283 Cb -0.12 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 2vax h GLN 283 CO -0.07 0.27 -0.01 1.57 -0.67 0.00 0.00 178.83 179.93 2vax h LYS 284 N 0.43 1.04 -0.18 1.46 2.10 -1.13 -1.47 116.57 118.81 2vax h LYS 284 Ca 0.12 -0.33 0.01 0.00 -2.00 0.00 0.00 60.65 58.46 2vax h LYS 284 Cb -0.04 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 31.18 2vax h LYS 284 CO -0.03 1.02 0.07 0.35 -2.00 0.00 0.00 179.45 178.86 2vax h PHE 285 N 0.95 0.14 0.00 0.07 3.04 -1.28 -2.74 116.94 117.12 2vax h PHE 285 Ca 0.17 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.12 2vax h PHE 285 Cb 0.56 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 39.03 2vax h PHE 285 CO 0.04 0.08 -0.02 0.00 -2.02 0.00 0.00 178.31 176.38 2vax h ALA 286 N 1.10 1.03 0.00 2.41 0.00 -0.75 -0.61 119.26 122.44 2vax h ALA 286 Ca 0.07 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2vax h ALA 286 Cb 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2vax h ALA 286 CO -0.06 0.03 -0.29 0.00 0.00 0.00 0.00 179.25 178.93 2vax h ALA 287 N 1.98 0.85 -0.23 0.00 0.00 -1.03 -3.36 119.26 117.46 2vax h ALA 287 Ca -0.00 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.43 2vax h ALA 287 Cb 0.35 -0.05 -0.27 0.00 0.00 0.00 0.00 17.79 17.82 2vax h ALA 287 CO 0.00 0.37 -0.84 -1.13 0.00 0.00 0.00 179.25 177.65 2vax n SER 288 N -3.23 2.13 -3.85 0.00 3.41 -0.31 -5.03 113.62 106.74 2vax n SER 288 Ca 0.02 -2.98 -0.09 0.00 -0.26 0.00 0.00 58.87 55.56 2vax n SER 288 Cb 0.59 -0.42 -0.07 0.00 -0.26 0.00 0.00 64.21 64.06 2vax n SER 288 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2vax s PHE 289 N -2.48 0.15 -0.12 7.33 2.19 -0.77 -5.00 117.98 119.29 2vax s PHE 289 Ca 0.37 -0.57 -0.03 0.00 0.33 0.00 0.00 56.93 57.04 2vax s PHE 289 Cb 0.37 -0.04 -0.03 0.00 -1.31 0.00 0.00 43.02 42.02 2vax s PHE 289 CO -0.07 -0.57 -0.02 0.34 1.83 0.00 0.00 175.22 176.72 2vax s ASP 290 N -2.87 4.96 0.08 6.13 2.15 -1.26 -4.89 116.67 120.97 2vax s ASP 290 Ca 0.06 -0.02 -0.29 0.00 0.43 0.00 0.00 52.55 52.73 2vax s ASP 290 Cb 0.04 -1.60 -0.16 0.00 -0.30 0.00 0.00 42.92 40.90 2vax s ASP 290 CO -0.10 0.26 1.66 0.00 -0.17 0.00 0.00 175.17 176.82 2vax h ALA 291 N 6.02 -0.56 -1.01 3.66 0.00 -1.95 0.09 119.26 125.51 2vax h ALA 291 Ca -0.40 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 54.56 2vax h ALA 291 Cb 1.19 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 19.14 2vax h ALA 291 CO 0.59 -0.83 0.62 -0.91 0.00 0.00 0.00 179.25 178.73 2vax h ASN 292 N -0.57 0.85 -0.19 0.00 2.35 -1.95 0.38 115.58 116.46 2vax h ASN 292 Ca -0.04 0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.70 2vax h ASN 292 Cb 0.46 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 2vax h ASN 292 CO 0.05 0.38 -0.14 0.00 -1.65 0.00 0.00 177.43 176.07 2vax h TYR 294 N 0.54 1.19 0.00 0.00 5.03 0.10 0.23 116.97 124.06 2vax h TYR 294 Ca 0.09 -0.06 -0.00 0.00 2.58 0.00 0.00 58.73 61.35 2vax h TYR 294 Cb 0.56 -0.37 0.00 0.00 1.55 0.00 0.00 36.73 38.47 2vax h TYR 294 CO 0.02 0.86 -0.00 0.82 -1.32 0.00 0.00 178.16 178.54 2vax h ILE 295 N 1.18 1.20 -0.66 1.81 2.04 -0.96 -1.65 117.51 120.48 2vax h ILE 295 Ca 0.29 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2vax h ILE 295 Cb 0.11 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 2vax h ILE 295 CO -0.04 0.15 0.29 0.00 0.00 0.00 0.00 178.15 178.56 2vax h ALA 296 N 0.75 0.85 -0.07 1.87 0.00 -0.68 -1.56 119.26 120.43 2vax h ALA 296 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2vax h ALA 296 Cb 0.25 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2vax h ALA 296 CO 0.00 0.44 0.02 0.52 0.00 0.00 0.00 179.25 180.23 2vax h MET 297 N 0.92 0.11 0.00 0.00 2.86 -0.55 -3.03 114.93 115.24 2vax h MET 297 Ca 0.22 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.74 2vax h MET 297 Cb 0.16 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 2vax h MET 297 CO -0.02 0.31 -0.45 1.79 1.06 0.00 0.00 176.91 179.60 2vax h THR 298 N -0.11 1.24 -0.10 2.22 1.35 -1.18 -2.55 112.91 113.77 2vax h THR 298 Ca 0.02 -1.58 -0.05 0.00 -0.55 0.00 0.00 66.41 64.25 2vax h THR 298 Cb 0.25 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 2vax h THR 298 CO 0.00 0.44 -0.16 -0.07 -0.25 0.00 0.00 175.52 175.48 2vax h LEU 299 N 0.00 0.15 -1.46 3.87 3.38 -1.20 -1.78 115.31 118.28 2vax h LEU 299 Ca -0.00 -0.03 0.26 0.00 0.09 0.00 0.00 57.88 58.19 2vax h LEU 299 Cb 0.83 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 2vax h LEU 299 CO 0.06 0.34 0.67 0.11 0.09 0.00 0.00 178.44 179.70 2vax h LYS 300 N 0.16 0.35 -0.39 1.13 1.57 -1.34 0.56 116.57 118.61 2vax h LYS 300 Ca 0.03 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2vax h LYS 300 Cb 0.39 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2vax h LYS 300 CO 0.02 0.23 0.26 0.74 -0.57 0.00 0.00 179.45 180.13 2vax h PHE 301 N 0.36 0.41 0.00 -1.35 0.04 -1.43 -1.47 116.94 113.50 2vax h PHE 301 Ca 0.56 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 61.30 2vax h PHE 301 Cb 1.49 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 39.50 2vax h PHE 301 CO -0.00 0.25 -0.18 -0.44 -0.60 0.00 0.00 178.31 177.33 2vax h ASP 302 N 0.43 0.00 0.95 2.17 3.32 -1.02 -2.82 116.42 119.45 2vax h ASP 302 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2vax h ASP 302 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2vax h ASP 302 CO -0.04 0.18 -0.31 0.35 -1.72 0.00 0.00 179.24 177.70 2vax n THR 303 N -3.46 0.24 -2.28 0.35 -2.24 -0.56 -4.82 114.28 101.51 2vax n THR 303 Ca -0.01 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 2vax n THR 303 Cb 0.35 -0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 2vax n THR 303 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2vax s HIS 304 N -3.07 2.90 -0.30 4.78 5.04 -1.06 -4.84 115.29 118.73 2vax s HIS 304 Ca 0.10 0.90 -0.09 0.00 -1.54 0.00 0.00 55.06 54.42 2vax s HIS 304 Cb 0.15 -3.61 0.18 0.00 0.04 0.00 0.00 32.58 29.35 2vax s HIS 304 CO 0.64 -2.20 0.94 0.34 -2.34 0.00 0.00 174.74 172.13 2vax s ASP 305 N 1.84 -0.69 0.56 9.88 -1.08 -1.26 -1.33 116.67 124.60 2vax s ASP 305 Ca 0.62 0.35 0.34 0.00 -0.52 0.00 0.00 52.55 53.33 2vax s ASP 305 Cb -0.29 1.54 1.59 0.00 -1.46 0.00 0.00 42.92 44.30 2vax s ASP 305 CO 0.25 -0.13 2.08 0.16 0.52 0.00 0.00 175.17 178.05 2vax h ILE 306 N 5.36 0.20 0.00 4.11 3.07 -1.52 -2.81 117.51 125.93 2vax h ILE 306 Ca -0.14 -0.46 -0.01 0.00 1.55 0.00 0.00 64.86 65.80 2vax h ILE 306 Cb 1.17 1.38 -0.00 0.00 -0.27 0.00 0.00 36.82 39.10 2vax h ILE 306 CO -0.02 0.05 -0.62 0.77 -1.05 0.00 0.00 178.15 177.28 2vax h SER 307 N 0.00 0.00 -1.44 2.16 4.64 -1.87 -3.44 113.55 113.60 2vax h SER 307 Ca -0.00 0.00 -0.77 0.00 -0.47 0.00 0.00 61.79 60.55 2vax h SER 307 Cb 0.38 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2vax h SER 307 CO 0.01 0.03 0.85 -1.14 -0.87 0.00 0.00 176.83 175.71 2vax n ARG 308 N -2.86 0.93 -1.04 4.77 0.63 -1.06 0.90 116.66 118.93 2vax n ARG 308 Ca 0.01 0.34 -0.01 0.00 -0.92 0.00 0.00 57.85 57.27 2vax n ARG 308 Cb 0.55 -1.99 -0.01 0.00 0.45 0.00 0.00 32.46 31.47 2vax n ARG 308 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2vax n GLY 309 N 4.13 0.40 0.00 5.14 0.00 -1.26 -4.77 105.19 108.83 2vax n GLY 309 Ca 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2vax n GLY 309 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vax n ARG 310 N -1.50 0.59 -3.76 1.61 1.74 0.26 -5.13 116.66 110.47 2vax n ARG 310 Ca -0.01 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.97 2vax n ARG 310 Cb 0.23 -0.75 -0.04 0.00 -1.02 0.00 0.00 32.46 30.88 2vax n ARG 310 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2vax s ALA 311 N -1.51 -0.95 -0.92 7.54 0.00 -0.84 -4.96 121.76 120.13 2vax s ALA 311 Ca 0.00 -0.25 0.27 0.00 0.00 0.00 0.00 51.96 51.98 2vax s ALA 311 Cb 0.00 0.87 0.86 0.00 0.00 0.00 0.00 23.12 24.85 2vax s ALA 311 CO 0.00 -0.84 1.69 0.41 0.00 0.00 0.00 175.76 177.02 2vax n GLY 312 N -0.36 -1.45 3.57 0.00 0.00 -1.26 -4.67 105.19 101.01 2vax n GLY 312 Ca -0.09 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 2vax n GLY 312 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vax s SER 313 N -3.38 -0.35 0.12 1.61 1.04 -1.26 -5.05 113.70 106.42 2vax s SER 313 Ca 0.12 -0.36 -0.17 0.00 0.48 0.00 0.00 55.95 56.01 2vax s SER 313 Cb 0.17 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.87 2vax s SER 313 CO 0.61 -1.09 1.66 0.40 0.98 0.00 0.00 173.24 175.79 2vax h ILE 314 N 2.09 1.19 -0.42 -1.02 1.08 -1.98 -1.16 117.51 117.29 2vax h ILE 314 Ca -0.28 -0.58 -0.01 0.00 -0.39 0.00 0.00 64.86 63.61 2vax h ILE 314 Cb 1.27 0.96 -0.02 0.00 -3.07 0.00 0.00 36.82 35.96 2vax h ILE 314 CO 0.34 0.20 0.24 -0.65 -0.69 0.00 0.00 178.15 177.59 2vax h PRO 315 N 0.38 0.57 -0.49 2.37 0.11 -1.97 0.05 132.00 133.00 2vax h PRO 315 Ca 0.11 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.04 2vax h PRO 315 Cb 0.19 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 2vax h PRO 315 CO -0.01 0.42 -0.18 0.93 -0.21 0.00 0.00 178.00 178.95 2vax h GLU 316 N 0.58 0.99 -0.43 1.05 5.08 -1.89 -1.90 114.58 118.07 2vax h GLU 316 Ca 0.15 -0.41 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 2vax h GLU 316 Cb 0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2vax h GLU 316 CO -0.03 1.08 0.20 0.00 -1.00 0.00 0.00 179.01 179.26 2vax h ALA 317 N 0.88 0.55 -0.93 3.43 0.00 -0.77 -3.00 119.26 119.42 2vax h ALA 317 Ca 0.12 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2vax h ALA 317 Cb 0.75 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 2vax h ALA 317 CO 0.06 0.13 0.61 -0.07 0.00 0.00 0.00 179.25 179.98 2vax h LEU 318 N 0.55 0.98 -2.29 0.00 3.38 -0.88 -1.69 115.31 115.36 2vax h LEU 318 Ca 0.15 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2vax h LEU 318 Cb 0.14 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2vax h LEU 318 CO -0.02 0.66 -0.01 0.00 0.09 0.00 0.00 178.44 179.16 2vax h ALA 319 N 1.47 1.04 0.00 1.53 0.00 -1.14 -0.76 119.26 121.40 2vax h ALA 319 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2vax h ALA 319 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2vax h ALA 319 CO -0.13 0.02 0.00 -1.33 0.00 0.00 0.00 179.25 177.81 2vax n MET 320 N -3.17 0.42 -3.00 0.00 2.81 -0.64 -4.71 117.12 108.84 2vax n MET 320 Ca -0.02 0.04 -0.42 0.00 -1.81 0.00 0.00 57.70 55.49 2vax n MET 320 Cb 0.18 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.13 2vax n MET 320 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2vax s ILE 321 N -2.49 4.74 -0.13 2.02 1.01 -0.29 -4.93 121.20 121.15 2vax s ILE 321 Ca 0.26 0.63 0.18 0.00 0.00 0.00 0.00 60.65 61.72 2vax s ILE 321 Cb 0.17 -4.22 -0.18 0.00 0.01 0.00 0.00 42.46 38.24 2vax s ILE 321 CO 0.37 -0.51 0.64 0.41 0.00 0.00 0.00 174.94 175.85 2vax n THR 322 N 5.86 1.05 -1.83 2.92 -1.04 -1.26 -4.11 114.28 115.87 2vax n THR 322 Ca 0.02 -0.69 -0.35 0.00 -2.04 0.00 0.00 64.05 60.98 2vax n THR 322 Cb 0.48 -0.58 0.05 0.00 -1.82 0.00 0.00 70.33 68.46 2vax n THR 322 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2vax s GLN 323 N -2.93 2.75 0.29 -2.82 1.11 -1.26 -4.69 119.66 112.11 2vax s GLN 323 Ca -0.05 1.72 -0.29 0.00 0.01 0.00 0.00 55.36 56.75 2vax s GLN 323 Cb 0.09 -1.91 -0.13 0.00 -1.01 0.00 0.00 33.01 30.05 2vax s GLN 323 CO 0.83 -1.36 1.33 -2.30 0.01 0.00 0.00 175.29 173.80 2vax n PRO 324 N -2.00 2.04 -4.40 2.91 -0.02 -1.26 -4.56 135.00 127.72 2vax n PRO 324 Ca 0.13 0.72 -0.20 0.00 -2.02 0.00 0.00 63.50 62.13 2vax n PRO 324 Cb 0.50 -2.33 -0.15 0.00 -0.02 0.00 0.00 33.50 31.50 2vax n PRO 324 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vax s ALA 325 N -0.61 0.85 -0.22 3.55 0.00 -0.65 -1.98 121.76 122.71 2vax s ALA 325 Ca 0.61 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 52.23 2vax s ALA 325 Cb -0.61 -0.29 0.04 0.00 0.00 0.00 0.00 23.12 22.25 2vax s ALA 325 CO 0.56 0.15 -0.14 -1.17 0.00 0.00 0.00 175.76 175.16 2vax s LEU 326 N 0.10 2.81 -0.36 0.00 2.96 -0.77 -0.92 118.68 122.50 2vax s LEU 326 Ca -0.02 -0.96 -0.13 0.00 -0.22 0.00 0.00 54.13 52.80 2vax s LEU 326 Cb -0.07 -1.54 -0.00 0.00 0.50 0.00 0.00 46.19 45.07 2vax s LEU 326 CO 0.00 -0.09 0.25 -0.63 -1.32 0.00 0.00 176.35 174.56 2vax s ILE 327 N 1.23 5.18 -0.18 6.68 1.01 -0.29 -3.15 121.20 131.68 2vax s ILE 327 Ca -0.01 -0.38 -0.07 0.00 0.00 0.00 0.00 60.65 60.19 2vax s ILE 327 Cb -0.16 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 2vax s ILE 327 CO -0.08 -0.09 0.04 -0.63 0.00 0.00 0.00 174.94 174.17 2vax s ILE 328 N 1.69 4.56 0.21 2.92 1.01 -1.07 0.11 121.20 130.64 2vax s ILE 328 Ca 0.05 -0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.47 2vax s ILE 328 Cb -0.18 -3.05 -0.00 0.00 0.01 0.00 0.00 42.46 39.24 2vax s ILE 328 CO 0.10 0.46 0.42 0.00 0.00 0.00 0.00 174.94 175.92 2vax s ALA 330 N -3.98 2.14 0.50 0.00 0.00 -1.26 -0.96 121.76 118.20 2vax s ALA 330 Ca 0.19 -1.01 0.32 0.00 0.00 0.00 0.00 51.96 51.46 2vax s ALA 330 Cb 0.01 -0.71 1.44 0.00 0.00 0.00 0.00 23.12 23.86 2vax s ALA 330 CO 0.04 0.37 1.77 0.00 0.00 0.00 0.00 175.76 177.94 2vax h ARG 331 N 6.27 0.10 -0.60 0.00 3.08 -1.87 -2.61 114.38 118.75 2vax h ARG 331 Ca -0.28 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2vax h ARG 331 Cb 1.20 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2vax h ARG 331 CO 0.47 0.07 0.00 0.43 -1.07 0.00 0.00 179.97 179.87 2vax n SER 332 N -4.32 4.50 -4.66 7.04 7.64 -1.26 -4.54 113.62 118.01 2vax n SER 332 Ca 0.28 -2.42 -0.42 0.00 1.01 0.00 0.00 58.87 57.32 2vax n SER 332 Cb 1.22 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 63.85 2vax n SER 332 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2vax s ASP 333 N -1.00 6.67 0.00 6.43 -1.08 -0.99 -4.01 116.67 122.69 2vax s ASP 333 Ca 0.48 2.26 0.26 0.00 -0.52 0.00 0.00 52.55 55.03 2vax s ASP 333 Cb 0.31 -2.54 0.66 0.00 -1.46 0.00 0.00 42.92 39.89 2vax s ASP 333 CO 0.24 -0.91 1.50 0.61 0.52 0.00 0.00 175.17 177.13 2vax n GLY 334 N 4.10 -0.56 0.30 2.66 0.00 -1.26 -4.26 105.19 106.15 2vax n GLY 334 Ca 0.17 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 2vax n GLY 334 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2vax n LEU 335 N -0.62 1.61 -4.18 0.99 4.77 -1.26 -4.93 117.00 113.39 2vax n LEU 335 Ca 0.12 0.28 -0.34 0.00 -0.03 0.00 0.00 56.01 56.03 2vax n LEU 335 Cb 0.36 -0.67 -0.14 0.00 -2.33 0.00 0.00 43.42 40.64 2vax n LEU 335 CO 0.27 0.40 -0.41 -0.31 -1.33 0.00 0.00 177.39 176.01 2vax s TYR 336 N -2.44 3.12 0.39 -1.77 1.51 -1.26 -4.82 117.35 112.08 2vax s TYR 336 Ca -0.31 -1.71 -0.24 0.00 -1.01 0.00 0.00 57.07 53.80 2vax s TYR 336 Cb 0.11 -2.05 -0.09 0.00 -0.11 0.00 0.00 41.96 39.82 2vax s TYR 336 CO 0.39 -0.76 1.01 -1.54 -1.11 0.00 0.00 175.55 173.54 2vax s SER 337 N 1.28 6.91 0.26 2.29 1.04 -1.26 -4.66 113.70 119.56 2vax s SER 337 Ca -0.02 1.93 -0.09 0.00 0.48 0.00 0.00 55.95 58.25 2vax s SER 337 Cb -0.18 -2.58 0.40 0.00 0.10 0.00 0.00 66.02 63.77 2vax s SER 337 CO -0.04 -0.38 1.58 0.15 0.98 0.00 0.00 173.24 175.53 2vax h PHE 338 N 2.54 -0.46 -0.97 5.02 3.57 -1.80 -2.06 116.94 122.79 2vax h PHE 338 Ca -0.48 0.08 0.11 0.00 3.53 0.00 0.00 57.97 61.21 2vax h PHE 338 Cb 1.20 0.34 -0.08 0.00 2.79 0.00 0.00 35.95 40.21 2vax h PHE 338 CO 0.59 -0.38 0.62 -0.44 -2.23 0.00 0.00 178.31 176.47 2vax h ASP 339 N 0.00 0.88 1.20 0.41 3.32 -1.95 -1.04 116.42 119.24 2vax h ASP 339 Ca 0.43 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.44 2vax h ASP 339 Cb 0.66 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2vax h ASP 339 CO -0.92 0.49 -0.36 1.05 -1.72 0.00 0.00 179.24 177.78 2vax h GLU 340 N 0.95 0.00 -0.03 3.56 4.11 -1.75 0.83 114.58 122.25 2vax h GLU 340 Ca 0.47 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.64 2vax h GLU 340 Cb 0.47 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.74 2vax h GLU 340 CO -0.23 0.36 -0.98 0.45 0.07 0.00 0.00 179.01 178.67 2vax h HIS 341 N 0.00 1.04 -0.48 2.06 3.86 -1.18 -2.06 115.15 118.40 2vax h HIS 341 Ca -0.00 -0.55 0.05 0.00 -1.16 0.00 0.00 60.37 58.71 2vax h HIS 341 Cb 1.05 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 29.35 2vax h HIS 341 CO 0.00 1.38 0.21 0.28 0.86 0.00 0.00 177.93 180.66 2vax h VAL 342 N 0.40 0.90 -0.49 2.45 2.07 -0.92 -0.16 116.25 120.50 2vax h VAL 342 Ca -0.12 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.32 2vax h VAL 342 Cb 1.63 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 2vax h VAL 342 CO 0.19 0.08 0.19 -0.08 0.02 0.00 0.00 177.57 177.97 2vax h GLU 343 N 0.41 0.37 0.09 1.57 4.81 -0.82 -1.43 114.58 119.58 2vax h GLU 343 Ca 0.22 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 2vax h GLU 343 Cb 0.18 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 2vax h GLU 343 CO -0.19 0.24 -0.25 0.52 -0.73 0.00 0.00 179.01 178.60 2vax h MET 344 N 0.38 -0.42 -0.36 1.92 2.86 -0.60 -1.73 114.93 116.98 2vax h MET 344 Ca 0.23 0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.98 2vax h MET 344 Cb 0.21 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 2vax h MET 344 CO -0.21 -0.28 0.25 0.78 1.06 0.00 0.00 176.91 178.51 2vax h GLY 345 N -0.44 0.12 1.31 8.32 0.00 -0.75 -0.68 103.07 110.96 2vax h GLY 345 Ca 0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2vax h GLY 345 CO -0.16 0.03 -0.80 0.07 0.00 0.00 0.00 176.54 175.67 2vax h ARG 346 N 0.09 0.00 0.00 4.80 0.11 -0.67 -3.37 114.38 115.34 2vax h ARG 346 Ca 0.17 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.21 2vax h ARG 346 Cb 0.55 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.62 2vax h ARG 346 CO -0.02 0.09 -1.88 0.43 0.10 0.00 0.00 179.97 178.70 2vax n SER 347 N -2.86 0.15 -4.61 0.08 7.64 -0.70 -4.83 113.62 108.49 2vax n SER 347 Ca -0.01 0.06 -0.43 0.00 1.01 0.00 0.00 58.87 59.51 2vax n SER 347 Cb 0.61 1.62 -0.03 0.00 -1.01 0.00 0.00 64.21 65.41 2vax n SER 347 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2vax s ILE 348 N -3.38 4.44 0.20 0.44 1.01 -0.30 -2.72 121.20 120.89 2vax s ILE 348 Ca -0.07 1.33 -0.10 0.00 0.00 0.00 0.00 60.65 61.81 2vax s ILE 348 Cb 0.12 -4.45 0.13 0.00 0.01 0.00 0.00 42.46 38.28 2vax s ILE 348 CO 0.88 -0.68 1.81 1.55 0.00 0.00 0.00 174.94 178.50 2vax h PRO 349 N 8.63 0.64 -2.83 2.79 0.13 -1.81 -3.23 132.00 136.32 2vax h PRO 349 Ca -0.22 -0.04 -0.72 0.00 -0.87 0.00 0.00 66.00 64.15 2vax h PRO 349 Cb 1.07 -0.14 -0.34 0.00 0.13 0.00 0.00 31.00 31.71 2vax h PRO 349 CO 1.04 0.42 0.16 0.09 -0.23 0.00 0.00 178.00 179.48 2vax n ASN 350 N -4.80 5.08 -4.10 1.44 3.02 -1.26 -5.04 115.26 109.60 2vax n ASN 350 Ca 0.07 -3.34 -0.19 0.00 -0.03 0.00 0.00 54.58 51.09 2vax n ASN 350 Cb 0.16 -1.05 -0.14 0.00 -0.61 0.00 0.00 39.78 38.15 2vax n ASN 350 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2vax s SER 351 N -1.45 1.44 -0.11 6.41 1.04 -1.22 -1.63 113.70 118.18 2vax s SER 351 Ca 0.33 -0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.41 2vax s SER 351 Cb 0.04 -0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 2vax s SER 351 CO 0.01 0.05 -0.16 -0.60 0.98 0.00 0.00 173.24 173.52 2vax s ARG 352 N -0.83 3.22 -0.09 4.02 3.52 -0.10 -4.95 118.95 123.74 2vax s ARG 352 Ca 0.02 -0.74 -0.22 0.00 -0.13 0.00 0.00 55.73 54.65 2vax s ARG 352 Cb -0.07 -2.52 -0.04 0.00 -1.56 0.00 0.00 34.95 30.77 2vax s ARG 352 CO 0.01 0.24 0.65 -1.17 -0.81 0.00 0.00 175.30 174.21 2vax s LEU 353 N 0.26 4.30 -0.27 -0.88 2.96 -1.26 -1.14 118.68 122.63 2vax s LEU 353 Ca -0.11 1.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.92 2vax s LEU 353 Cb -0.16 -2.99 0.07 0.00 0.50 0.00 0.00 46.19 43.61 2vax s LEU 353 CO 0.06 -0.10 -0.08 0.00 -1.32 0.00 0.00 176.35 174.91 2vax s VAL 355 N 1.07 5.18 0.06 0.00 1.01 -1.26 -1.71 120.40 124.75 2vax s VAL 355 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 61.98 61.62 2vax s VAL 355 Cb -0.20 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 2vax s VAL 355 CO -0.06 -0.09 1.27 -0.69 0.00 0.00 0.00 175.10 175.53 2vax s VAL 356 N 1.99 3.81 -0.85 2.92 1.01 -0.14 -4.94 120.40 124.21 2vax s VAL 356 Ca 0.11 1.29 -0.25 0.00 0.00 0.00 0.00 61.98 63.13 2vax s VAL 356 Cb -0.17 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.39 2vax s VAL 356 CO 0.12 0.09 1.63 -0.62 0.00 0.00 0.00 175.10 176.31 2vax s ASP 357 N 1.16 5.80 0.16 3.32 2.15 -1.26 -4.66 116.67 123.35 2vax s ASP 357 Ca 0.61 -0.66 -0.23 0.00 0.43 0.00 0.00 52.55 52.69 2vax s ASP 357 Cb -0.31 -2.56 0.07 0.00 -0.30 0.00 0.00 42.92 39.82 2vax s ASP 357 CO 0.29 -2.10 0.63 0.28 -0.17 0.00 0.00 175.17 174.10 2vax s THR 358 N 7.38 0.00 -0.68 1.71 -1.32 -1.26 -5.03 115.64 116.45 2vax s THR 358 Ca 0.55 -0.09 0.12 0.00 -1.21 0.00 0.00 61.69 61.05 2vax s THR 358 Cb -0.06 -1.09 0.35 0.00 -1.51 0.00 0.00 72.50 70.19 2vax s THR 358 CO 0.04 0.00 1.28 -0.46 -2.21 0.00 0.00 174.62 173.27 2vax n ASN 359 N -0.38 3.12 0.22 8.08 0.23 -1.26 -4.80 115.26 120.47 2vax n ASN 359 Ca -0.15 -2.27 0.11 0.00 -0.53 0.00 0.00 54.58 51.73 2vax n ASN 359 Cb 0.64 -0.30 0.42 0.00 -2.08 0.00 0.00 39.78 38.47 2vax n ASN 359 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2vax h GLU 360 N 1.84 0.00 0.00 -3.83 4.39 -1.95 -3.36 114.58 111.66 2vax h GLU 360 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2vax h GLU 360 Cb 0.91 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2vax h GLU 360 CO 0.06 0.18 0.00 0.41 -1.16 0.00 0.00 179.01 178.50 2vax n GLY 361 N 0.36 -2.48 0.37 -3.84 0.00 -1.26 -3.59 105.19 94.76 2vax n GLY 361 Ca 0.01 -1.63 0.07 0.00 0.00 0.00 0.00 46.02 44.47 2vax n GLY 361 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2vax h HIS 362 N 0.00 1.15 -0.06 1.61 -0.00 -1.32 -0.06 115.15 116.46 2vax h HIS 362 Ca 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 2vax h HIS 362 Cb 0.00 -0.37 -0.01 0.00 -0.00 0.00 0.00 27.41 27.04 2vax h HIS 362 CO 0.00 0.48 0.02 -0.40 -0.00 0.00 0.00 177.93 178.02 2vax n ASP 363 N -4.60 1.89 0.27 3.26 3.85 -0.49 -3.95 116.55 116.79 2vax n ASP 363 Ca 0.18 -2.10 0.13 0.00 -0.71 0.00 0.00 54.79 52.30 2vax n ASP 363 Cb 0.33 -0.52 0.78 0.00 -1.35 0.00 0.00 41.12 40.36 2vax n ASP 363 CO 0.00 0.00 0.00 2.19 -1.01 0.00 0.00 177.20 178.38 2vax h PHE 364 N 0.29 0.00 0.00 2.11 -5.15 -1.24 -0.92 116.94 112.03 2vax h PHE 364 Ca 0.02 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.79 2vax h PHE 364 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.96 2vax h PHE 364 CO 0.11 0.08 0.00 1.97 -2.00 0.00 0.00 178.31 178.48 2vax n PHE 365 N -3.71 0.27 -0.11 6.09 1.16 -1.25 -0.18 117.46 119.72 2vax n PHE 365 Ca -0.02 0.09 -0.19 0.00 -1.87 0.00 0.00 57.45 55.45 2vax n PHE 365 Cb 0.19 -0.64 -0.10 0.00 -1.61 0.00 0.00 39.48 37.32 2vax n PHE 365 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 2vax n VAL 366 N -1.73 1.29 0.15 1.97 0.31 -0.59 -4.11 118.33 115.63 2vax n VAL 366 Ca 0.05 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 2vax n VAL 366 Cb 0.31 -1.48 0.27 0.00 -0.91 0.00 0.00 33.84 32.04 2vax n VAL 366 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2vax h MET 367 N -0.30 0.04 -1.21 5.55 2.86 -1.05 -3.10 114.93 117.72 2vax h MET 367 Ca -0.54 -0.02 -0.60 0.00 -2.06 0.00 0.00 59.70 56.48 2vax h MET 367 Cb 1.69 0.00 -0.39 0.00 0.06 0.00 0.00 31.60 32.96 2vax h MET 367 CO -0.18 0.50 -0.40 0.39 1.06 0.00 0.00 176.91 178.27 2vax n GLU 368 N -3.99 3.35 -0.15 1.72 -0.58 0.74 -4.87 120.64 116.87 2vax n GLU 368 Ca -0.02 -4.14 0.10 0.00 -0.42 0.00 0.00 57.16 52.68 2vax n GLU 368 Cb 0.49 -2.27 0.42 0.00 -0.57 0.00 0.00 31.44 29.51 2vax n GLU 368 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2vax h ALA 369 N 2.40 1.86 -0.28 0.62 0.00 -1.69 -0.79 119.26 121.39 2vax h ALA 369 Ca 0.39 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.18 2vax h ALA 369 Cb 1.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2vax h ALA 369 CO 0.96 0.00 -0.29 -0.44 0.00 0.00 0.00 179.25 179.47 2vax h ASP 370 N 0.60 0.58 0.17 0.00 3.32 -1.89 0.12 116.42 119.32 2vax h ASP 370 Ca 0.32 -0.22 -0.13 0.00 0.02 0.00 0.00 57.03 57.02 2vax h ASP 370 Cb 0.45 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2vax h ASP 370 CO -0.11 0.85 -0.49 0.11 -1.72 0.00 0.00 179.24 177.88 2vax h LYS 371 N 0.49 0.37 -0.25 3.56 1.57 -1.56 -1.88 116.57 118.87 2vax h LYS 371 Ca 0.06 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.53 2vax h LYS 371 Cb 0.76 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 2vax h LYS 371 CO 0.06 0.78 -0.23 0.28 -0.57 0.00 0.00 179.45 179.77 2vax h VAL 372 N 0.29 1.31 -0.32 0.50 2.07 -1.10 -2.44 116.25 116.56 2vax h VAL 372 Ca 0.01 -1.39 0.05 0.00 0.82 0.00 0.00 66.70 66.20 2vax h VAL 372 Cb 0.97 1.65 -0.05 0.00 -1.52 0.00 0.00 31.29 32.34 2vax h VAL 372 CO 0.08 0.44 0.01 -1.13 0.02 0.00 0.00 177.57 176.99 2vax h ASN 373 N 0.31 -0.10 -0.66 0.57 -0.73 -0.58 0.83 115.58 115.23 2vax h ASN 373 Ca 0.04 0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.25 2vax h ASN 373 Cb 0.79 0.12 -0.03 0.00 0.27 0.00 0.00 38.32 39.46 2vax h ASN 373 CO 0.06 -0.01 0.31 0.44 -0.37 0.00 0.00 177.43 177.85 2vax h ASP 374 N 0.11 0.87 -0.31 1.15 3.32 -1.31 0.29 116.42 120.54 2vax h ASP 374 Ca 0.15 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 2vax h ASP 374 Cb 0.20 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2vax h ASP 374 CO -0.25 0.77 0.13 0.00 -1.72 0.00 0.00 179.24 178.17 2vax h ALA 375 N 1.14 0.40 0.14 3.45 0.00 -0.92 -1.05 119.26 122.41 2vax h ALA 375 Ca 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2vax h ALA 375 Cb 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2vax h ALA 375 CO -0.03 -0.01 -0.07 0.28 0.00 0.00 0.00 179.25 179.43 2vax h VAL 376 N 0.35 0.97 -0.49 0.00 2.07 -0.61 -2.71 116.25 115.84 2vax h VAL 376 Ca 0.10 -0.48 0.05 0.00 0.82 0.00 0.00 66.70 67.19 2vax h VAL 376 Cb 0.17 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 2vax h VAL 376 CO -0.01 0.12 0.21 -0.09 0.02 0.00 0.00 177.57 177.81 2vax h ARG 377 N -0.42 0.40 -0.88 1.57 2.43 -0.94 -0.35 114.38 116.20 2vax h ARG 377 Ca -0.02 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.24 2vax h ARG 377 Cb 0.33 -0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 29.71 2vax h ARG 377 CO 0.03 0.26 0.51 0.78 -1.51 0.00 0.00 179.97 180.04 2vax h GLY 378 N 0.41 1.40 0.84 2.80 0.00 -1.18 -1.27 103.07 106.07 2vax h GLY 378 Ca 0.22 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 47.11 2vax h GLY 378 CO -0.19 0.10 -0.35 -2.75 0.00 0.00 0.00 176.54 173.34 2vax h PHE 379 N 0.80 0.63 0.00 5.60 3.57 -1.05 -2.87 116.94 123.62 2vax h PHE 379 Ca 0.44 -0.24 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 2vax h PHE 379 Cb 0.47 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 2vax h PHE 379 CO -0.05 0.97 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.84 2vax h LEU 380 N 0.11 0.00 0.00 0.59 4.07 -0.87 -2.93 115.31 116.28 2vax h LEU 380 Ca -0.00 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.80 2vax h LEU 380 Cb 0.96 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.67 2vax h LEU 380 CO 0.08 0.09 -0.90 0.44 -1.08 0.00 0.00 178.44 177.06 2vax h ASP 381 N 0.00 0.00 0.00 -0.43 3.32 -1.15 -3.51 116.42 114.66 2vax h ASP 381 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2vax h ASP 381 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2vax h ASP 381 CO 0.01 0.70 0.00 0.00 -1.72 0.00 0.00 179.24 178.23