#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pkr s LEU 1 N 0.00 4.07 -0.30 3.14 2.96 -0.42 -4.92 118.68 123.22 2pkr s LEU 1 Ca 0.00 0.86 -0.29 0.00 -0.22 0.00 0.00 54.13 54.47 2pkr s LEU 1 Cb 0.00 -3.14 0.01 0.00 0.50 0.00 0.00 46.19 43.55 2pkr s LEU 1 CO 0.00 -0.58 1.22 -0.54 -1.32 0.00 0.00 176.35 175.13 2pkr s LYS 2 N 2.93 3.98 -0.03 1.98 1.02 -1.26 -0.78 119.74 127.57 2pkr s LYS 2 Ca 0.34 1.20 0.03 0.00 0.02 0.00 0.00 55.97 57.56 2pkr s LYS 2 Cb -0.15 -3.83 -0.03 0.00 -0.52 0.00 0.00 37.83 33.31 2pkr s LYS 2 CO 0.10 -1.03 -0.12 0.08 -0.92 0.00 0.00 175.35 173.47 2pkr s VAL 3 N 4.08 3.29 -0.02 3.17 1.01 0.41 -0.90 120.40 131.45 2pkr s VAL 3 Ca 0.52 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.85 2pkr s VAL 3 Cb -0.15 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 2pkr s VAL 3 CO 0.20 0.53 -0.23 0.00 0.00 0.00 0.00 175.10 175.60 2pkr s ALA 4 N -0.82 1.92 -0.22 5.51 0.00 -0.32 -1.78 121.76 126.05 2pkr s ALA 4 Ca 0.13 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 51.03 2pkr s ALA 4 Cb -0.11 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 2pkr s ALA 4 CO 0.03 0.46 0.05 0.42 0.00 0.00 0.00 175.76 176.72 2pkr s ILE 5 N -0.51 4.32 -0.37 0.00 1.01 -0.40 -0.39 121.20 124.86 2pkr s ILE 5 Ca 0.08 -0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.48 2pkr s ILE 5 Cb -0.09 -2.99 0.06 0.00 0.01 0.00 0.00 42.46 39.45 2pkr s ILE 5 CO -0.01 0.39 0.17 0.21 0.00 0.00 0.00 174.94 175.70 2pkr s ASN 6 N 1.17 5.43 0.00 3.58 2.47 0.15 -0.30 114.94 127.43 2pkr s ASN 6 Ca 0.04 -1.34 0.00 0.00 0.42 0.00 0.00 52.86 51.98 2pkr s ASN 6 Cb -0.14 -1.91 0.00 0.00 -1.45 0.00 0.00 41.25 37.75 2pkr s ASN 6 CO 0.03 -0.42 0.00 0.61 -3.72 0.00 0.00 177.10 173.60 2pkr n GLY 7 N 4.83 0.27 2.54 1.21 0.00 -0.76 -1.13 105.19 112.15 2pkr n GLY 7 Ca -0.11 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 2pkr n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2pkr n PHE 8 N 0.53 2.35 -1.43 1.61 7.35 -1.25 -4.12 117.46 122.50 2pkr n PHE 8 Ca 0.00 -2.48 0.00 0.00 -0.76 0.00 0.00 57.45 54.21 2pkr n PHE 8 Cb 0.00 -1.56 0.00 0.00 0.35 0.00 0.00 39.48 38.27 2pkr n PHE 8 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2pkr n GLY 9 N 1.04 1.68 0.28 7.13 0.00 -1.26 -4.53 105.19 109.53 2pkr n GLY 9 Ca 0.56 -1.94 0.07 0.00 0.00 0.00 0.00 46.02 44.71 2pkr n GLY 9 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2pkr h ARG 10 N 0.00 0.25 0.11 1.61 2.47 -1.92 0.63 114.38 117.52 2pkr h ARG 10 Ca 0.00 -0.01 -0.23 0.00 -1.26 0.00 0.00 59.98 58.47 2pkr h ARG 10 Cb 0.00 -0.06 0.02 0.00 -1.65 0.00 0.00 29.97 28.29 2pkr h ARG 10 CO 0.00 0.16 -0.97 0.82 0.56 0.00 0.00 179.97 180.55 2pkr h ILE 11 N 0.26 1.39 -0.36 2.04 1.08 -1.91 -1.28 117.51 118.72 2pkr h ILE 11 Ca 0.45 -2.40 0.06 0.00 -0.39 0.00 0.00 64.86 62.58 2pkr h ILE 11 Cb 0.80 2.85 -0.05 0.00 -3.07 0.00 0.00 36.82 37.35 2pkr h ILE 11 CO -0.55 0.71 0.04 1.23 -0.69 0.00 0.00 178.15 178.88 2pkr h GLY 12 N -0.03 0.39 1.94 5.37 0.00 -1.50 0.42 103.07 109.67 2pkr h GLY 12 Ca -0.15 0.01 -0.15 0.00 0.00 0.00 0.00 47.33 47.04 2pkr h GLY 12 CO 0.19 -0.05 -0.69 3.21 0.00 0.00 0.00 176.54 179.19 2pkr h ARG 13 N 0.15 0.06 -0.23 4.80 3.08 0.19 -2.18 114.38 120.26 2pkr h ARG 13 Ca 0.17 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 60.02 2pkr h ARG 13 Cb 0.22 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2pkr h ARG 13 CO -0.26 0.72 -0.47 -0.91 -1.07 0.00 0.00 179.97 177.99 2pkr h ASN 14 N 0.04 0.81 -0.20 7.04 2.35 -0.73 -2.52 115.58 122.37 2pkr h ASN 14 Ca -0.01 -0.55 0.05 0.00 -0.55 0.00 0.00 56.30 55.24 2pkr h ASN 14 Cb 1.23 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 39.31 2pkr h ASN 14 CO 0.09 1.21 -0.12 0.15 -1.65 0.00 0.00 177.43 177.11 2pkr h PHE 15 N 0.45 -0.30 -0.48 1.19 3.57 -0.00 0.51 116.94 121.88 2pkr h PHE 15 Ca 0.01 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.54 2pkr h PHE 15 Cb 1.08 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 2pkr h PHE 15 CO 0.08 -0.18 0.31 1.25 -2.23 0.00 0.00 178.31 177.54 2pkr h LEU 16 N -0.11 0.54 -1.04 0.59 6.46 -1.40 0.33 115.31 120.68 2pkr h LEU 16 Ca 0.11 -0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.77 2pkr h LEU 16 Cb 0.28 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 2pkr h LEU 16 CO -0.27 0.39 -0.30 0.03 -0.62 0.00 0.00 178.44 177.67 2pkr h ARG 17 N 0.64 0.32 -0.05 1.25 3.08 -0.95 0.13 114.38 118.79 2pkr h ARG 17 Ca 0.18 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2pkr h ARG 17 Cb -0.06 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 2pkr h ARG 17 CO -0.04 0.59 0.01 0.00 -1.07 0.00 0.00 179.97 179.45 2pkr h TRP 18 N -0.17 1.20 -0.08 0.00 7.01 -0.58 -1.99 115.95 121.34 2pkr h TRP 18 Ca 0.02 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.03 2pkr h TRP 18 Cb 0.29 -0.40 -0.00 0.00 -2.10 0.00 0.00 29.16 26.94 2pkr h TRP 18 CO 0.02 0.75 0.00 1.25 -2.79 0.00 0.00 178.44 177.67 2pkr h HIS 18 N 1.28 0.10 -0.00 2.65 2.76 -0.64 -2.03 115.15 119.28 2pkr h HIS 18 Ca 0.35 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 2pkr h HIS 18 Cb -0.13 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 28.79 2pkr h HIS 18 CO -0.00 0.11 -0.12 0.41 -1.30 0.00 0.00 177.93 177.03 2pkr n GLY 19 N -1.39 -1.39 3.80 5.26 0.00 -0.76 -4.88 105.19 105.83 2pkr n GLY 19 Ca -0.02 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 2pkr n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pkr s ARG 20 N -2.94 3.98 -0.11 1.61 1.81 -0.77 -5.05 118.95 117.49 2pkr s ARG 20 Ca 0.15 1.29 -0.05 0.00 -1.72 0.00 0.00 55.73 55.40 2pkr s ARG 20 Cb 0.19 -2.16 -0.04 0.00 -0.45 0.00 0.00 34.95 32.49 2pkr s ARG 20 CO 0.56 -0.27 0.09 0.15 -0.68 0.00 0.00 175.30 175.15 2pkr s LYS 21 N -3.15 3.27 -1.14 3.54 -0.14 -1.26 -4.55 119.74 116.32 2pkr s LYS 21 Ca 0.65 -0.24 -0.22 0.00 -1.36 0.00 0.00 55.97 54.80 2pkr s LYS 21 Cb -0.14 -3.04 -0.00 0.00 -1.68 0.00 0.00 37.83 32.96 2pkr s LYS 21 CO 0.18 0.75 0.78 -0.25 -0.76 0.00 0.00 175.35 176.05 2pkr n ASP 22 N 2.05 -5.23 -4.74 2.83 8.00 -1.26 -4.92 116.55 113.29 2pkr n ASP 22 Ca -0.19 -1.04 -0.41 0.00 0.71 0.00 0.00 54.79 53.86 2pkr n ASP 22 Cb 0.54 -3.17 -0.05 0.00 -0.02 0.00 0.00 41.12 38.43 2pkr n ASP 22 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2pkr s SER 23 N -3.46 7.52 0.00 -2.24 0.15 -1.26 -4.91 113.70 109.49 2pkr s SER 23 Ca 0.47 1.81 0.15 0.00 0.70 0.00 0.00 55.95 59.08 2pkr s SER 23 Cb -0.18 -2.58 0.80 0.00 -1.71 0.00 0.00 66.02 62.35 2pkr s SER 23 CO 0.87 0.02 1.53 -0.81 1.20 0.00 0.00 173.24 176.06 2pkr n PRO 24 N 2.34 1.16 -4.48 5.44 -0.04 -1.26 -4.65 135.00 133.51 2pkr n PRO 24 Ca 0.00 -0.25 -0.33 0.00 -0.04 0.00 0.00 63.50 62.88 2pkr n PRO 24 Cb 0.49 -1.25 -0.10 0.00 -0.04 0.00 0.00 33.50 32.59 2pkr n PRO 24 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2pkr s LEU 25 N -1.44 3.30 -0.27 1.53 1.43 -1.26 -1.30 118.68 120.68 2pkr s LEU 25 Ca 0.23 -0.02 -0.00 0.00 -1.03 0.00 0.00 54.13 53.31 2pkr s LEU 25 Cb 0.11 -1.80 0.08 0.00 0.03 0.00 0.00 46.19 44.61 2pkr s LEU 25 CO 0.18 0.33 0.04 -0.62 0.23 0.00 0.00 176.35 176.51 2pkr s ASP 26 N -1.09 3.80 -0.62 2.29 2.15 0.04 -4.61 116.67 118.63 2pkr s ASP 26 Ca 0.15 -1.38 -0.27 0.00 0.43 0.00 0.00 52.55 51.48 2pkr s ASP 26 Cb -0.11 -0.97 0.03 0.00 -0.30 0.00 0.00 42.92 41.57 2pkr s ASP 26 CO 0.04 -0.34 1.15 -0.69 -0.17 0.00 0.00 175.17 175.17 2pkr s VAL 27 N 1.54 4.04 -0.34 1.11 1.01 -1.26 -0.44 120.40 126.05 2pkr s VAL 27 Ca 0.03 0.58 0.20 0.00 0.00 0.00 0.00 61.98 62.79 2pkr s VAL 27 Cb -0.18 -4.73 -0.28 0.00 0.00 0.00 0.00 36.38 31.19 2pkr s VAL 27 CO -0.14 -1.43 0.58 1.33 0.00 0.00 0.00 175.10 175.44 2pkr n VAL 28 N 6.46 0.00 -3.71 2.92 0.24 -0.73 -4.83 118.33 118.68 2pkr n VAL 28 Ca 0.05 -0.32 -0.14 0.00 -2.04 0.00 0.00 64.34 61.89 2pkr n VAL 28 Cb 0.48 0.37 -0.08 0.00 -1.47 0.00 0.00 33.84 33.14 2pkr n VAL 28 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2pkr s VAL 29 N -3.23 0.04 -0.04 3.34 0.11 -1.23 -1.09 120.40 118.30 2pkr s VAL 29 Ca -0.02 -0.32 0.03 0.00 -2.93 0.00 0.00 61.98 58.73 2pkr s VAL 29 Cb 0.14 -0.69 0.01 0.00 -1.53 0.00 0.00 36.38 34.30 2pkr s VAL 29 CO 0.84 -0.18 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.69 2pkr s ILE 30 N -1.12 1.01 -0.50 7.04 1.01 0.57 -1.28 121.20 127.94 2pkr s ILE 30 Ca -0.11 -0.45 -0.15 0.00 0.00 0.00 0.00 60.65 59.94 2pkr s ILE 30 Cb -0.04 -0.90 0.10 0.00 0.01 0.00 0.00 42.46 41.63 2pkr s ILE 30 CO 0.05 0.31 0.43 0.21 0.00 0.00 0.00 174.94 175.94 2pkr s ASN 31 N 0.37 6.08 -0.36 3.58 2.47 0.59 -0.67 114.94 127.01 2pkr s ASN 31 Ca -0.08 -1.61 0.04 0.00 0.42 0.00 0.00 52.86 51.63 2pkr s ASN 31 Cb -0.12 -2.16 0.10 0.00 -1.45 0.00 0.00 41.25 37.62 2pkr s ASN 31 CO 0.02 -0.74 0.08 -0.62 -3.72 0.00 0.00 177.10 172.12 2pkr s ASP 32 N 3.03 4.64 0.25 -4.21 -1.08 -0.05 -1.82 116.67 117.43 2pkr s ASP 32 Ca 0.04 -2.21 0.14 0.00 -0.52 0.00 0.00 52.55 50.00 2pkr s ASP 32 Cb -0.27 -1.55 0.77 0.00 -1.46 0.00 0.00 42.92 40.40 2pkr s ASP 32 CO 0.04 -0.37 1.38 0.35 0.52 0.00 0.00 175.17 177.10 2pkr n THR 33 N 4.18 1.07 0.13 1.71 -2.24 -1.26 -1.79 114.28 116.08 2pkr n THR 33 Ca 0.04 0.68 0.01 0.00 -2.27 0.00 0.00 64.05 62.51 2pkr n THR 33 Cb 0.41 -1.68 0.00 0.00 -2.10 0.00 0.00 70.33 66.96 2pkr n THR 33 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2pkr h GLY 34 N 0.00 0.00 0.00 3.38 0.00 -1.93 -3.49 103.07 101.03 2pkr h GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2pkr h GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2pkr n GLY 36 N 1.24 2.88 0.27 4.60 0.00 -0.74 -4.80 105.19 108.63 2pkr n GLY 36 Ca 0.02 -1.94 -0.07 0.00 0.00 0.00 0.00 46.02 44.03 2pkr n GLY 36 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2pkr h VAL 37 N 0.00 1.22 0.82 1.61 2.07 -1.90 -0.34 116.25 119.74 2pkr h VAL 37 Ca 0.00 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 2pkr h VAL 37 Cb 0.00 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2pkr h VAL 37 CO 0.00 0.27 -0.50 0.11 0.02 0.00 0.00 177.57 177.47 2pkr h LYS 38 N 0.86 -1.19 -0.97 1.57 1.57 -1.95 0.25 116.57 116.70 2pkr h LYS 38 Ca 0.21 0.08 0.16 0.00 -1.87 0.00 0.00 60.65 59.23 2pkr h LYS 38 Cb 0.16 0.27 -0.09 0.00 0.08 0.00 0.00 32.23 32.65 2pkr h LYS 38 CO -0.02 -0.79 0.61 0.37 -0.57 0.00 0.00 179.45 179.05 2pkr h GLN 39 N -1.23 0.77 0.11 3.15 4.15 -1.88 0.25 115.11 120.43 2pkr h GLN 39 Ca -0.11 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.26 2pkr h GLN 39 Cb 0.99 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.50 2pkr h GLN 39 CO 0.12 0.51 -0.05 0.00 -1.93 0.00 0.00 178.83 177.47 2pkr h ALA 40 N 1.60 -0.15 -0.06 3.38 0.00 -0.71 -0.86 119.26 122.45 2pkr h ALA 40 Ca 0.51 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 2pkr h ALA 40 Cb 0.76 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2pkr h ALA 40 CO -0.28 -0.40 0.03 1.03 0.00 0.00 0.00 179.25 179.62 2pkr h SER 41 N -0.52 0.08 -0.14 0.00 0.87 -0.52 -0.86 113.55 112.47 2pkr h SER 41 Ca -0.02 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2pkr h SER 41 Cb 0.42 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 2pkr h SER 41 CO 0.03 0.19 0.08 -0.74 -0.53 0.00 0.00 176.83 175.86 2pkr h HIS 42 N -0.03 0.18 0.00 2.24 6.17 -0.54 -1.33 115.15 121.84 2pkr h HIS 42 Ca 0.02 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.10 2pkr h HIS 42 Cb 0.13 -0.06 0.00 0.00 2.52 0.00 0.00 27.41 30.00 2pkr h HIS 42 CO -0.03 0.17 0.00 1.28 0.71 0.00 0.00 177.93 180.06 2pkr n LEU 43 N -4.96 0.76 0.14 0.26 4.77 -0.33 -1.24 117.00 116.40 2pkr n LEU 43 Ca -0.05 0.61 -0.25 0.00 -0.03 0.00 0.00 56.01 56.30 2pkr n LEU 43 Cb 0.06 -0.43 -0.16 0.00 -2.33 0.00 0.00 43.42 40.56 2pkr n LEU 43 CO 0.34 -0.34 -0.25 0.25 -1.33 0.00 0.00 177.39 176.05 2pkr h LEU 44 N 0.00 0.83 0.11 2.23 5.85 -0.84 -3.37 115.31 120.11 2pkr h LEU 44 Ca 0.00 -0.92 -0.01 0.00 0.84 0.00 0.00 57.88 57.79 2pkr h LEU 44 Cb 0.58 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.35 2pkr h LEU 44 CO 0.00 1.71 -0.05 0.50 -0.34 0.00 0.00 178.44 180.26 2pkr h LYS 45 N 0.13 -0.14 -5.41 1.25 1.63 -1.04 -3.41 116.57 109.57 2pkr h LYS 45 Ca -0.26 0.01 -0.61 0.00 -0.85 0.00 0.00 60.65 58.93 2pkr h LYS 45 Cb 2.15 0.03 -0.10 0.00 -0.60 0.00 0.00 32.23 33.71 2pkr h LYS 45 CO 0.27 0.35 -0.45 0.71 -3.45 0.00 0.00 179.45 176.88 2pkr s TYR 46 N -3.43 3.47 -0.14 1.91 2.02 -0.37 -0.12 117.35 120.69 2pkr s TYR 46 Ca -0.14 0.44 -0.05 0.00 -0.37 0.00 0.00 57.07 56.96 2pkr s TYR 46 Cb 0.00 -2.15 0.07 0.00 -0.40 0.00 0.00 41.96 39.48 2pkr s TYR 46 CO 0.53 0.39 0.26 0.34 -1.57 0.00 0.00 175.55 175.50 2pkr s ASP 47 N 0.04 0.45 0.54 2.29 -1.08 -1.21 -4.47 116.67 113.23 2pkr s ASP 47 Ca 0.12 0.50 0.34 0.00 -0.52 0.00 0.00 52.55 52.98 2pkr s ASP 47 Cb -0.12 0.68 1.84 0.00 -1.46 0.00 0.00 42.92 43.86 2pkr s ASP 47 CO 0.01 -0.25 2.03 0.28 0.52 0.00 0.00 175.17 177.76 2pkr h SER 48 N 8.29 0.00 0.00 -0.34 0.02 -1.95 0.19 113.55 119.76 2pkr h SER 48 Ca -0.15 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.61 2pkr h SER 48 Cb 1.12 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 2pkr h SER 48 CO 0.15 0.00 -1.69 -0.38 -1.14 0.00 0.00 176.83 173.77 2pkr n ILE 49 N -2.73 0.69 0.62 3.27 5.41 -1.26 -4.71 119.36 120.65 2pkr n ILE 49 Ca -0.02 -0.24 0.12 0.00 1.00 0.00 0.00 62.75 63.60 2pkr n ILE 49 Cb 0.11 -1.13 0.15 0.00 -0.71 0.00 0.00 39.64 38.07 2pkr n ILE 49 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2pkr n LEU 50 N -3.05 0.65 0.00 1.39 4.77 -1.19 -5.05 117.00 114.53 2pkr n LEU 50 Ca -0.22 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2pkr n LEU 50 Cb 0.71 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2pkr n LEU 50 CO 0.09 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 2pkr n GLY 51 N 1.36 -2.97 3.72 -0.72 0.00 0.66 -4.85 105.19 102.38 2pkr n GLY 51 Ca 0.03 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 2pkr n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pkr s THR 52 N -0.85 4.05 0.09 2.61 2.01 -1.26 -3.32 115.64 118.98 2pkr s THR 52 Ca 0.00 1.51 -0.31 0.00 0.31 0.00 0.00 61.69 63.21 2pkr s THR 52 Cb 0.00 -3.97 -0.09 0.00 0.01 0.00 0.00 72.50 68.45 2pkr s THR 52 CO 0.00 0.14 1.79 0.12 -0.69 0.00 0.00 174.62 175.98 2pkr s PHE 53 N 0.85 2.12 -1.41 4.92 5.36 0.83 -4.89 117.98 125.76 2pkr s PHE 53 Ca 0.57 0.04 -0.13 0.00 -0.96 0.00 0.00 56.93 56.45 2pkr s PHE 53 Cb -0.29 -4.11 0.07 0.00 -0.34 0.00 0.00 43.02 38.35 2pkr s PHE 53 CO 0.30 -4.61 2.13 -3.47 -1.46 0.00 0.00 175.22 168.12 2pkr n ASP 54 N 5.94 4.20 -3.50 6.13 2.03 -1.26 -4.82 116.55 125.26 2pkr n ASP 54 Ca 0.17 -2.91 -0.11 0.00 0.52 0.00 0.00 54.79 52.46 2pkr n ASP 54 Cb 0.39 -1.62 -0.03 0.00 -0.72 0.00 0.00 41.12 39.15 2pkr n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pkr s ALA 55 N 2.50 -1.79 -0.52 -1.67 0.00 -1.26 -5.11 121.76 113.91 2pkr s ALA 55 Ca 0.45 1.06 -0.29 0.00 0.00 0.00 0.00 51.96 53.18 2pkr s ALA 55 Cb 0.13 0.24 0.03 0.00 0.00 0.00 0.00 23.12 23.52 2pkr s ALA 55 CO -0.06 -0.59 1.16 0.34 0.00 0.00 0.00 175.76 176.61 2pkr s ASP 56 N -2.09 6.55 -0.10 0.00 -1.08 -1.26 -4.88 116.67 113.82 2pkr s ASP 56 Ca 0.00 0.30 0.03 0.00 -0.52 0.00 0.00 52.55 52.36 2pkr s ASP 56 Cb -0.01 -2.55 -0.01 0.00 -1.46 0.00 0.00 42.92 38.89 2pkr s ASP 56 CO -0.05 -1.35 -0.19 -0.69 0.52 0.00 0.00 175.17 173.41 2pkr s VAL 57 N 4.66 2.56 0.18 1.11 1.01 -1.26 0.40 120.40 129.07 2pkr s VAL 57 Ca 0.45 -0.86 -0.23 0.00 0.00 0.00 0.00 61.98 61.35 2pkr s VAL 57 Cb -0.07 -2.01 0.06 0.00 0.00 0.00 0.00 36.38 34.35 2pkr s VAL 57 CO 0.29 0.55 0.62 -1.59 0.00 0.00 0.00 175.10 174.97 2pkr s LYS 58 N 0.12 1.38 0.42 2.72 -2.85 -0.92 -5.00 119.74 115.61 2pkr s LYS 58 Ca -0.09 -0.57 -0.23 0.00 -1.00 0.00 0.00 55.97 54.08 2pkr s LYS 58 Cb -0.16 0.59 -0.09 0.00 -2.06 0.00 0.00 37.83 36.11 2pkr s LYS 58 CO 0.06 -0.61 1.01 0.95 0.10 0.00 0.00 175.35 176.86 2pkr s THR 59 N -3.78 3.94 -0.57 3.79 -4.23 -1.26 -0.65 115.64 112.87 2pkr s THR 59 Ca 0.03 1.37 0.04 0.00 -1.18 0.00 0.00 61.69 61.95 2pkr s THR 59 Cb -0.02 -3.64 0.16 0.00 1.34 0.00 0.00 72.50 70.34 2pkr s THR 59 CO -0.09 -0.11 0.41 0.00 -0.54 0.00 0.00 174.62 174.29 2pkr s ALA 60 N -1.85 2.81 0.00 3.99 0.00 0.15 -4.75 121.76 122.12 2pkr s ALA 60 Ca 0.60 -3.23 0.00 0.00 0.00 0.00 0.00 51.96 49.34 2pkr s ALA 60 Cb -0.17 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.00 2pkr s ALA 60 CO 0.22 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.34 2pkr n GLY 60 N 2.46 -1.55 0.92 0.00 0.00 -1.26 -3.32 105.19 102.45 2pkr n GLY 60 Ca 0.21 -2.08 0.11 0.00 0.00 0.00 0.00 46.02 44.27 2pkr n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pkr n ASP 61 N 0.00 2.93 -1.32 1.61 8.00 -1.26 -4.55 116.55 121.96 2pkr n ASP 61 Ca 0.00 -1.93 0.02 0.00 0.71 0.00 0.00 54.79 53.59 2pkr n ASP 61 Cb 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 2pkr n ASP 61 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2pkr n SER 62 N 1.27 0.53 -3.61 -2.24 3.41 -1.26 -4.88 113.62 106.83 2pkr n SER 62 Ca 0.14 -1.98 -0.06 0.00 -0.26 0.00 0.00 58.87 56.71 2pkr n SER 62 Cb 0.56 -0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.32 2pkr n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pkr s ALA 63 N 0.00 -1.77 0.07 7.33 0.00 -1.21 -1.31 121.76 124.88 2pkr s ALA 63 Ca 0.25 0.63 -0.00 0.00 0.00 0.00 0.00 51.96 52.83 2pkr s ALA 63 Cb 0.28 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 2pkr s ALA 63 CO -0.12 -0.85 -0.03 0.96 0.00 0.00 0.00 175.76 175.71 2pkr s ILE 64 N -3.16 0.37 -0.00 0.00 -4.36 -0.59 0.32 121.20 113.77 2pkr s ILE 64 Ca 0.08 -1.86 0.04 0.00 -0.26 0.00 0.00 60.65 58.66 2pkr s ILE 64 Cb -0.01 -1.62 -0.01 0.00 1.25 0.00 0.00 42.46 42.07 2pkr s ILE 64 CO -0.04 -0.91 -0.13 -0.94 0.24 0.00 0.00 174.94 173.15 2pkr s SER 65 N -2.97 1.56 -0.25 4.36 1.04 0.18 0.19 113.70 117.80 2pkr s SER 65 Ca 0.10 -0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.29 2pkr s SER 65 Cb 0.07 -0.16 0.06 0.00 0.10 0.00 0.00 66.02 66.09 2pkr s SER 65 CO -0.07 0.14 -0.11 -0.69 0.98 0.00 0.00 173.24 173.49 2pkr s VAL 66 N -0.39 2.13 -1.54 5.02 1.01 0.27 -2.17 120.40 124.74 2pkr s VAL 66 Ca 0.05 -1.57 -0.13 0.00 0.00 0.00 0.00 61.98 60.33 2pkr s VAL 66 Cb -0.05 -2.23 0.09 0.00 0.00 0.00 0.00 36.38 34.19 2pkr s VAL 66 CO -0.00 0.01 0.90 0.47 0.00 0.00 0.00 175.10 176.47 2pkr n ASP 67 N 4.45 -4.01 0.00 3.32 8.00 0.16 -1.35 116.55 127.12 2pkr n ASP 67 Ca -0.14 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.52 2pkr n ASP 67 Cb 0.43 -3.65 0.00 0.00 -0.02 0.00 0.00 41.12 37.88 2pkr n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pkr n GLY 68 N -1.64 2.89 3.66 0.44 0.00 -1.26 -5.01 105.19 104.27 2pkr n GLY 68 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2pkr n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pkr s LYS 69 N -0.09 4.23 -0.02 1.61 2.20 -0.46 -4.97 119.74 122.23 2pkr s LYS 69 Ca 0.00 1.75 -0.24 0.00 -0.36 0.00 0.00 55.97 57.12 2pkr s LYS 69 Cb 0.00 -3.79 -0.04 0.00 -1.51 0.00 0.00 37.83 32.49 2pkr s LYS 69 CO 0.00 -0.72 0.72 0.08 -0.36 0.00 0.00 175.35 175.07 2pkr s VAL 70 N 3.51 4.93 -0.14 4.02 1.01 -1.26 -0.56 120.40 131.91 2pkr s VAL 70 Ca 0.58 1.49 0.01 0.00 0.00 0.00 0.00 61.98 64.06 2pkr s VAL 70 Cb -0.24 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.10 2pkr s VAL 70 CO 0.17 0.30 -0.18 -0.63 0.00 0.00 0.00 175.10 174.77 2pkr s ILE 71 N 0.44 1.77 0.57 2.22 1.01 0.13 -4.93 121.20 122.41 2pkr s ILE 71 Ca 0.37 -0.78 -0.20 0.00 0.00 0.00 0.00 60.65 60.04 2pkr s ILE 71 Cb -0.19 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 2pkr s ILE 71 CO 0.20 0.49 1.24 -0.75 0.00 0.00 0.00 174.94 176.12 2pkr s LYS 72 N 1.13 3.08 -0.10 2.79 2.47 -0.25 -1.54 119.74 127.32 2pkr s LYS 72 Ca -0.02 1.93 -0.00 0.00 -1.56 0.00 0.00 55.97 56.32 2pkr s LYS 72 Cb -0.14 -2.06 0.02 0.00 -1.46 0.00 0.00 37.83 34.19 2pkr s LYS 72 CO -0.06 -1.14 -0.07 0.08 0.16 0.00 0.00 175.35 174.31 2pkr s VAL 73 N -1.50 0.97 0.41 4.02 1.01 -0.42 -0.31 120.40 124.58 2pkr s VAL 73 Ca 0.75 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 62.53 2pkr s VAL 73 Cb -0.33 -0.99 -0.07 0.00 0.00 0.00 0.00 36.38 34.98 2pkr s VAL 73 CO 0.37 0.36 0.04 0.68 0.00 0.00 0.00 175.10 176.55 2pkr s VAL 74 N 1.63 2.07 -0.24 2.92 -7.23 0.16 -4.56 120.40 115.14 2pkr s VAL 74 Ca 0.03 -1.95 -0.03 0.00 -1.81 0.00 0.00 61.98 58.23 2pkr s VAL 74 Cb -0.13 -2.99 0.11 0.00 0.56 0.00 0.00 36.38 33.93 2pkr s VAL 74 CO -0.07 -0.01 0.26 -0.55 -0.31 0.00 0.00 175.10 174.42 2pkr s SER 75 N -3.74 1.53 -0.25 4.85 0.15 -1.26 -0.87 113.70 114.10 2pkr s SER 75 Ca 0.36 -0.44 -0.11 0.00 0.70 0.00 0.00 55.95 56.46 2pkr s SER 75 Cb 0.09 0.44 0.10 0.00 -1.71 0.00 0.00 66.02 64.94 2pkr s SER 75 CO 0.19 -0.35 0.57 -0.62 1.20 0.00 0.00 173.24 174.22 2pkr s ASP 76 N 2.34 -0.78 0.26 5.45 -1.08 -1.26 -4.95 116.67 116.65 2pkr s ASP 76 Ca 0.08 1.31 0.25 0.00 -0.52 0.00 0.00 52.55 53.68 2pkr s ASP 76 Cb -0.15 1.61 0.91 0.00 -1.46 0.00 0.00 42.92 43.83 2pkr s ASP 76 CO -0.21 -0.22 1.75 0.03 0.52 0.00 0.00 175.17 177.03 2pkr h ARG 77 N 7.67 0.00 -4.51 4.34 3.08 -1.99 -3.40 114.38 119.57 2pkr h ARG 77 Ca -0.23 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 59.10 2pkr h ARG 77 Cb 1.15 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.95 2pkr h ARG 77 CO 0.15 0.00 -0.47 1.21 -1.07 0.00 0.00 179.97 179.79 2pkr s ASN 78 N -4.50 5.79 0.47 7.04 3.84 -1.26 -4.98 114.94 121.33 2pkr s ASN 78 Ca 0.07 -1.17 0.13 0.00 0.21 0.00 0.00 52.86 52.10 2pkr s ASN 78 Cb 0.10 -2.04 1.10 0.00 -0.55 0.00 0.00 41.25 39.86 2pkr s ASN 78 CO 0.50 -0.47 2.08 -0.65 -2.79 0.00 0.00 177.10 175.77 2pkr h PRO 79 N 8.48 0.25 -0.18 0.43 0.11 -1.91 -2.71 132.00 136.48 2pkr h PRO 79 Ca -0.25 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.90 2pkr h PRO 79 Cb 1.10 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2pkr h PRO 79 CO 0.72 0.16 0.15 -0.39 -0.21 0.00 0.00 178.00 178.44 2pkr h VAL 80 N 0.26 0.72 -0.07 3.15 -1.51 -1.94 -1.11 116.25 115.74 2pkr h VAL 80 Ca 0.12 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.59 2pkr h VAL 80 Cb 0.15 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.20 2pkr h VAL 80 CO -0.02 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.91 2pkr n ASN 81 N -4.19 1.28 -4.78 4.19 5.03 -1.02 -4.29 115.26 111.48 2pkr n ASN 81 Ca 0.01 -1.52 -0.36 0.00 0.87 0.00 0.00 54.58 53.58 2pkr n ASN 81 Cb 0.28 -0.04 -0.04 0.00 -1.02 0.00 0.00 39.78 38.96 2pkr n ASN 81 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2pkr s LEU 82 N -1.80 4.09 -0.09 3.41 1.43 -0.42 -4.94 118.68 120.37 2pkr s LEU 82 Ca 0.36 2.06 -0.02 0.00 -1.03 0.00 0.00 54.13 55.50 2pkr s LEU 82 Cb 0.19 -4.23 -0.03 0.00 0.03 0.00 0.00 46.19 42.15 2pkr s LEU 82 CO 0.30 -0.57 2.48 -0.81 0.23 0.00 0.00 176.35 177.98 2pkr n PRO 83 N -0.21 1.50 -0.19 1.29 -0.04 -1.26 -4.56 135.00 131.53 2pkr n PRO 83 Ca 0.06 -0.70 -0.05 0.00 -0.04 0.00 0.00 63.50 62.77 2pkr n PRO 83 Cb 0.50 -1.45 0.13 0.00 -0.04 0.00 0.00 33.50 32.63 2pkr n PRO 83 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2pkr h TRP 84 N 1.74 1.01 0.37 0.54 -0.00 -1.90 -0.94 115.95 116.78 2pkr h TRP 84 Ca 0.13 -0.11 -0.02 0.00 -0.00 0.00 0.00 58.89 58.89 2pkr h TRP 84 Cb 1.10 -0.29 0.00 0.00 -0.00 0.00 0.00 29.16 29.97 2pkr h TRP 84 CO 0.82 0.84 -0.18 0.78 -0.00 0.00 0.00 178.44 180.70 2pkr h GLY 85 N 1.03 -0.52 -0.70 1.49 0.00 -1.51 0.65 103.07 103.51 2pkr h GLY 85 Ca 0.20 0.19 0.36 0.00 0.00 0.00 0.00 47.33 48.08 2pkr h GLY 85 CO 0.00 -0.19 0.71 -1.80 0.00 0.00 0.00 176.54 175.26 2pkr h ASP 86 N -0.96 0.38 -0.10 0.19 1.82 -1.83 0.59 116.42 116.51 2pkr h ASP 86 Ca -0.05 0.15 -0.21 0.00 -0.39 0.00 0.00 57.03 56.52 2pkr h ASP 86 Cb 0.38 0.11 0.01 0.00 0.68 0.00 0.00 39.33 40.51 2pkr h ASP 86 CO 0.08 -0.12 -0.73 0.24 -1.61 0.00 0.00 179.24 177.10 2pkr h MET 87 N 0.23 0.74 -0.44 0.28 2.86 -1.16 -3.47 114.93 113.97 2pkr h MET 87 Ca 0.74 -0.58 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2pkr h MET 87 Cb 2.04 0.11 0.00 0.00 0.06 0.00 0.00 31.60 33.81 2pkr h MET 87 CO -0.46 1.20 0.00 0.41 1.06 0.00 0.00 176.91 179.11 2pkr n GLY 88 N 0.62 0.93 3.70 8.32 0.00 0.21 -5.03 105.19 113.93 2pkr n GLY 88 Ca -0.06 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 2pkr n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pkr s ILE 89 N -2.33 2.86 -0.15 -0.61 -1.09 0.20 -4.82 121.20 115.26 2pkr s ILE 89 Ca 0.00 0.48 -0.20 0.00 -2.23 0.00 0.00 60.65 58.70 2pkr s ILE 89 Cb 0.00 -3.31 -0.24 0.00 -1.58 0.00 0.00 42.46 37.33 2pkr s ILE 89 CO 0.00 0.02 0.46 0.44 -1.23 0.00 0.00 174.94 174.62 2pkr h ASP 90 N 7.65 0.18 -3.52 3.58 3.32 -1.34 -2.92 116.42 123.37 2pkr h ASP 90 Ca -0.43 -0.76 -0.41 0.00 0.02 0.00 0.00 57.03 55.45 2pkr h ASP 90 Cb 1.20 -0.06 -0.33 0.00 0.22 0.00 0.00 39.33 40.36 2pkr h ASP 90 CO 0.92 1.48 -0.78 -0.22 -1.72 0.00 0.00 179.24 178.92 2pkr s LEU 91 N -7.76 1.45 -0.15 1.55 2.96 -0.86 -0.80 118.68 115.07 2pkr s LEU 91 Ca -0.23 -0.15 -0.05 0.00 -0.22 0.00 0.00 54.13 53.48 2pkr s LEU 91 Cb 0.04 -0.48 -0.03 0.00 0.50 0.00 0.00 46.19 46.21 2pkr s LEU 91 CO 0.69 -0.03 0.01 -0.69 -1.32 0.00 0.00 176.35 175.02 2pkr s VAL 92 N 0.75 4.36 -0.43 1.68 1.01 -0.08 -1.18 120.40 126.51 2pkr s VAL 92 Ca -0.11 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 2pkr s VAL 92 Cb -0.13 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.35 2pkr s VAL 92 CO 0.01 0.50 0.50 -0.63 0.00 0.00 0.00 175.10 175.48 2pkr s ILE 93 N 0.10 5.01 -0.74 2.22 -1.09 0.48 -0.48 121.20 126.70 2pkr s ILE 93 Ca 0.02 -0.23 -0.22 0.00 -2.23 0.00 0.00 60.65 58.00 2pkr s ILE 93 Cb -0.13 -4.09 0.08 0.00 -1.58 0.00 0.00 42.46 36.74 2pkr s ILE 93 CO 0.02 -0.48 1.04 -0.70 -1.23 0.00 0.00 174.94 173.59 2pkr s GLU 94 N 2.34 3.23 -0.23 2.79 -6.30 0.62 -0.68 118.70 120.49 2pkr s GLU 94 Ca 0.15 -0.99 0.11 0.00 -2.50 0.00 0.00 54.97 51.74 2pkr s GLU 94 Cb -0.16 -4.42 0.44 0.00 0.00 0.00 0.00 34.13 29.98 2pkr s GLU 94 CO 0.15 -1.85 1.28 0.41 0.02 0.00 0.00 175.26 175.26 2pkr n GLY 95 N 5.45 5.08 0.11 -1.50 0.00 -0.28 -1.47 105.19 112.58 2pkr n GLY 95 Ca 0.04 -1.28 0.08 0.00 0.00 0.00 0.00 46.02 44.86 2pkr n GLY 95 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pkr h THR 96 N 0.97 0.15 0.00 2.61 1.35 -1.79 -3.43 112.91 112.77 2pkr h THR 96 Ca 0.05 -1.30 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 2pkr h THR 96 Cb 1.16 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 2pkr h THR 96 CO 0.09 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 2pkr n GLY 97 N 1.24 0.87 0.00 5.82 0.00 -1.26 -4.83 105.19 107.04 2pkr n GLY 97 Ca -0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.04 2pkr n GLY 97 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pkr n VAL 98 N -2.00 0.00 -3.35 1.61 0.24 -1.26 -4.71 118.33 108.86 2pkr n VAL 98 Ca 0.00 -0.26 -0.29 0.00 -2.04 0.00 0.00 64.34 61.76 2pkr n VAL 98 Cb 0.00 0.80 -0.07 0.00 -1.47 0.00 0.00 33.84 33.11 2pkr n VAL 98 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2pkr n PHE 99 N -1.40 3.55 0.92 6.34 3.72 -1.26 -4.85 117.46 124.48 2pkr n PHE 99 Ca 0.01 -3.99 0.10 0.00 -0.05 0.00 0.00 57.45 53.52 2pkr n PHE 99 Cb 0.19 -0.63 0.02 0.00 -0.94 0.00 0.00 39.48 38.12 2pkr n PHE 99 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2pkr n VAL 100 N 0.82 0.00 -3.62 -4.37 0.24 -1.26 -3.71 118.33 106.43 2pkr n VAL 100 Ca 0.30 -0.33 -0.22 0.00 -2.04 0.00 0.00 64.34 62.04 2pkr n VAL 100 Cb 0.40 1.29 -0.01 0.00 -1.47 0.00 0.00 33.84 34.05 2pkr n VAL 100 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2pkr s ASP 101 N -2.21 4.91 0.15 -1.34 -4.77 -1.26 -0.70 116.67 111.44 2pkr s ASP 101 Ca 0.19 -0.92 -0.16 0.00 -3.30 0.00 0.00 52.55 48.36 2pkr s ASP 101 Cb 0.17 -0.15 0.02 0.00 -1.09 0.00 0.00 42.92 41.86 2pkr s ASP 101 CO 0.47 -0.87 1.77 0.03 0.70 0.00 0.00 175.17 177.26 2pkr h ARG 102 N 0.85 0.59 -0.58 2.11 3.08 -1.94 0.12 114.38 118.62 2pkr h ARG 102 Ca -0.39 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.57 2pkr h ARG 102 Cb 1.28 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 2pkr h ARG 102 CO 0.56 0.46 0.24 -0.44 -1.07 0.00 0.00 179.97 179.71 2pkr h ASP 103 N 0.56 0.80 0.50 7.04 3.32 -1.96 0.23 116.42 126.91 2pkr h ASP 103 Ca 0.15 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 2pkr h ASP 103 Cb 0.03 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.38 2pkr h ASP 103 CO -0.03 0.75 -0.24 1.23 -1.72 0.00 0.00 179.24 179.23 2pkr h GLY 104 N 0.80 -0.69 1.99 2.75 0.00 -1.88 -3.13 103.07 102.91 2pkr h GLY 104 Ca 0.19 0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.75 2pkr h GLY 104 CO -0.02 -0.25 -0.14 0.00 0.00 0.00 0.00 176.54 176.13 2pkr h ALA 105 N -0.89 1.75 0.00 3.60 0.00 -0.81 -1.65 119.26 121.26 2pkr h ALA 105 Ca -0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2pkr h ALA 105 Cb 0.58 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2pkr h ALA 105 CO 0.11 0.19 -0.02 0.78 0.00 0.00 0.00 179.25 180.31 2pkr h GLY 106 N 0.45 0.00 1.07 0.00 0.00 -0.55 -2.03 103.07 102.01 2pkr h GLY 106 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.47 2pkr h GLY 106 CO 0.02 0.00 0.34 0.50 0.00 0.00 0.00 176.54 177.40 2pkr h LYS 107 N 0.00 0.00 0.00 4.80 1.57 -1.24 0.28 116.57 121.98 2pkr h LYS 107 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2pkr h LYS 107 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2pkr h LYS 107 CO 0.00 0.00 -0.49 0.45 -0.57 0.00 0.00 179.45 178.84 2pkr h HIS 108 N 0.00 0.00 0.05 -1.35 3.86 -1.56 -1.31 115.15 114.84 2pkr h HIS 108 Ca 0.22 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 59.16 2pkr h HIS 108 Cb 0.89 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.38 2pkr h HIS 108 CO 0.00 0.49 -1.11 -0.07 0.86 0.00 0.00 177.93 178.10 2pkr h LEU 109 N 0.00 0.80 -1.76 2.43 3.38 -0.66 0.12 115.31 119.62 2pkr h LEU 109 Ca -0.00 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.28 2pkr h LEU 109 Cb 0.94 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2pkr h LEU 109 CO 0.06 1.49 0.14 1.56 0.09 0.00 0.00 178.44 181.79 2pkr h GLN 110 N 0.30 0.31 -0.00 1.13 4.20 -0.61 0.01 115.11 120.45 2pkr h GLN 110 Ca -0.14 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2pkr h GLN 110 Cb 1.77 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.48 2pkr h GLN 110 CO 0.21 0.21 -0.04 0.00 -0.67 0.00 0.00 178.83 178.54 2pkr n ALA 111 N -2.50 2.66 0.00 3.87 0.00 -0.54 -4.91 120.51 119.09 2pkr n ALA 111 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2pkr n ALA 111 Cb 0.08 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.12 2pkr n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pkr n GLY 112 N 1.18 0.72 3.78 0.00 0.00 -0.01 -1.99 105.19 108.87 2pkr n GLY 112 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2pkr n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pkr s ALA 113 N -2.00 3.15 0.07 4.61 0.00 0.41 -3.90 121.76 124.10 2pkr s ALA 113 Ca 0.00 0.64 0.08 0.00 0.00 0.00 0.00 51.96 52.69 2pkr s ALA 113 Cb 0.00 -3.24 -0.17 0.00 0.00 0.00 0.00 23.12 19.71 2pkr s ALA 113 CO 0.00 -0.07 1.27 0.87 0.00 0.00 0.00 175.76 177.83 2pkr h LYS 114 N 2.78 0.00 -3.00 0.00 1.57 -1.45 -3.37 116.57 113.09 2pkr h LYS 114 Ca -0.48 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.24 2pkr h LYS 114 Cb 1.21 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.36 2pkr h LYS 114 CO 0.63 0.90 -0.01 0.21 -0.57 0.00 0.00 179.45 180.61 2pkr s LYS 115 N -2.74 1.03 -0.03 3.15 2.20 0.02 -4.88 119.74 118.50 2pkr s LYS 115 Ca 0.01 -0.40 0.02 0.00 -0.36 0.00 0.00 55.97 55.24 2pkr s LYS 115 Cb 0.10 0.47 0.01 0.00 -1.51 0.00 0.00 37.83 36.89 2pkr s LYS 115 CO 0.81 -0.39 -0.08 0.08 -0.36 0.00 0.00 175.35 175.42 2pkr s VAL 116 N -2.89 0.71 -0.26 4.02 1.01 -0.25 -0.90 120.40 121.84 2pkr s VAL 116 Ca -0.03 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.67 2pkr s VAL 116 Cb -0.00 -0.65 0.06 0.00 0.00 0.00 0.00 36.38 35.79 2pkr s VAL 116 CO -0.05 0.23 -0.10 -0.22 0.00 0.00 0.00 175.10 174.96 2pkr s LEU 117 N 0.28 3.50 -0.13 3.92 0.20 0.37 -1.08 118.68 125.75 2pkr s LEU 117 Ca -0.04 -1.41 -0.25 0.00 0.69 0.00 0.00 54.13 53.12 2pkr s LEU 117 Cb -0.09 -1.56 -0.02 0.00 -0.43 0.00 0.00 46.19 44.09 2pkr s LEU 117 CO 0.00 -0.20 0.81 -0.63 -0.29 0.00 0.00 176.35 176.04 2pkr s ILE 118 N 1.11 4.92 -0.13 6.68 1.01 0.11 -0.27 121.20 134.62 2pkr s ILE 118 Ca -0.08 1.61 -0.04 0.00 0.00 0.00 0.00 60.65 62.14 2pkr s ILE 118 Cb -0.20 -4.12 -0.08 0.00 0.01 0.00 0.00 42.46 38.07 2pkr s ILE 118 CO -0.05 0.09 2.89 0.35 0.00 0.00 0.00 174.94 178.22 2pkr n THR 119 N 4.44 2.81 -3.62 2.92 -2.24 -0.54 -1.47 114.28 116.57 2pkr n THR 119 Ca 0.03 -1.59 0.01 0.00 -2.27 0.00 0.00 64.05 60.23 2pkr n THR 119 Cb 0.50 -1.72 -0.01 0.00 -2.10 0.00 0.00 70.33 67.00 2pkr n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pkr s ALA 120 N -0.12 -2.20 0.38 6.98 0.00 -1.22 -4.92 121.76 120.66 2pkr s ALA 120 Ca 0.46 0.76 -0.28 0.00 0.00 0.00 0.00 51.96 52.90 2pkr s ALA 120 Cb 0.25 0.32 -0.11 0.00 0.00 0.00 0.00 23.12 23.58 2pkr s ALA 120 CO -0.05 -1.01 1.50 -2.14 0.00 0.00 0.00 175.76 174.06 2pkr s PRO 121 N -2.46 4.09 0.15 0.00 0.02 -1.24 -3.89 135.00 131.68 2pkr s PRO 121 Ca 0.14 2.60 -0.12 0.00 0.02 0.00 0.00 61.00 63.64 2pkr s PRO 121 Cb 0.04 -2.96 -0.07 0.00 0.02 0.00 0.00 34.50 31.53 2pkr s PRO 121 CO -0.04 -0.56 0.51 0.20 -0.33 0.00 0.00 177.00 176.78 2pkr s GLY 122 N -0.12 2.38 -0.02 0.52 0.00 -1.26 -4.92 107.32 103.89 2pkr s GLY 122 Ca 0.53 -0.24 -0.15 0.00 0.00 0.00 0.00 44.72 44.86 2pkr s GLY 122 CO 0.64 -0.02 0.41 0.54 0.00 0.00 0.00 173.10 174.66 2pkr s LYS 122 N -2.20 3.97 1.88 2.90 -0.14 0.12 -4.81 119.74 121.45 2pkr s LYS 122 Ca 0.39 0.39 0.00 0.00 -1.36 0.00 0.00 55.97 55.40 2pkr s LYS 122 Cb -0.14 -3.25 0.00 0.00 -1.68 0.00 0.00 37.83 32.76 2pkr s LYS 122 CO 0.20 0.62 0.00 0.41 -0.76 0.00 0.00 175.35 175.81 2pkr n GLY 123 N 2.05 -1.04 3.23 -3.33 0.00 -1.26 -4.15 105.19 100.69 2pkr n GLY 123 Ca -0.13 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 2pkr n GLY 123 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pkr n ASP 124 N 0.34 4.72 -3.99 1.61 2.03 -1.26 -4.91 116.55 115.08 2pkr n ASP 124 Ca 0.00 -2.93 -0.30 0.00 0.52 0.00 0.00 54.79 52.08 2pkr n ASP 124 Cb 0.00 -1.66 -0.16 0.00 -0.72 0.00 0.00 41.12 38.58 2pkr n ASP 124 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2pkr s ILE 125 N 2.93 1.48 -0.16 5.18 1.01 -1.26 -4.98 121.20 125.40 2pkr s ILE 125 Ca 0.48 -0.64 -0.37 0.00 0.00 0.00 0.00 60.65 60.12 2pkr s ILE 125 Cb 0.06 -1.44 -0.14 0.00 0.01 0.00 0.00 42.46 40.95 2pkr s ILE 125 CO 0.01 0.39 1.78 -2.65 0.00 0.00 0.00 174.94 174.47 2pkr n PRO 126 N 4.79 1.65 -4.18 2.79 -0.02 -1.26 -4.71 135.00 134.07 2pkr n PRO 126 Ca -0.16 0.61 -0.35 0.00 -2.02 0.00 0.00 63.50 61.58 2pkr n PRO 126 Cb 0.49 -2.36 -0.09 0.00 -0.02 0.00 0.00 33.50 31.52 2pkr n PRO 126 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2pkr s THR 127 N 3.55 4.60 0.01 3.45 2.01 -1.26 -0.89 115.64 127.10 2pkr s THR 127 Ca 0.95 -0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.85 2pkr s THR 127 Cb -0.88 -3.00 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 2pkr s THR 127 CO 0.58 0.54 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.65 2pkr s TYR 128 N -0.31 0.75 -0.21 4.92 2.02 -0.00 -4.78 117.35 119.74 2pkr s TYR 128 Ca 0.08 -0.20 -0.01 0.00 -0.37 0.00 0.00 57.07 56.57 2pkr s TYR 128 Cb -0.12 -0.47 0.06 0.00 -0.40 0.00 0.00 41.96 41.02 2pkr s TYR 128 CO 0.02 -0.02 -0.02 0.08 -1.57 0.00 0.00 175.55 174.04 2pkr s VAL 129 N -0.41 1.13 0.15 0.71 1.01 -1.26 -4.27 120.40 117.45 2pkr s VAL 129 Ca 0.01 -0.90 -0.34 0.00 0.00 0.00 0.00 61.98 60.75 2pkr s VAL 129 Cb -0.04 -1.46 -0.14 0.00 0.00 0.00 0.00 36.38 34.74 2pkr s VAL 129 CO -0.00 -0.10 1.59 0.52 0.00 0.00 0.00 175.10 177.11 2pkr n VAL 130 N 4.83 0.03 -0.09 2.92 0.31 -1.26 -0.21 118.33 124.86 2pkr n VAL 130 Ca -0.11 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2pkr n VAL 130 Cb 0.46 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 2pkr n VAL 130 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pkr n GLY 131 N 3.45 0.60 1.14 2.92 0.00 -1.26 -4.86 105.19 107.17 2pkr n GLY 131 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2pkr n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pkr n VAL 132 N -2.00 0.60 -2.21 1.61 0.31 0.70 -4.91 118.33 112.43 2pkr n VAL 132 Ca 0.00 0.20 0.01 0.00 -0.01 0.00 0.00 64.34 64.53 2pkr n VAL 132 Cb 0.00 -1.43 -0.00 0.00 -0.91 0.00 0.00 33.84 31.50 2pkr n VAL 132 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2pkr n ASN 133 N -3.25 0.26 0.30 4.52 2.04 -0.91 -4.90 115.26 113.33 2pkr n ASN 133 Ca 0.00 -1.89 0.19 0.00 -0.44 0.00 0.00 54.58 52.44 2pkr n ASN 133 Cb 0.20 -0.14 0.88 0.00 -2.53 0.00 0.00 39.78 38.19 2pkr n ASN 133 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 2pkr h GLU 134 N 0.43 0.00 0.00 -3.83 9.09 -1.94 -2.36 114.58 115.97 2pkr h GLU 134 Ca -0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.22 2pkr h GLU 134 Cb 1.57 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.67 2pkr h GLU 134 CO -0.00 0.02 0.00 0.39 0.05 0.00 0.00 179.01 179.46 2pkr n GLU 135 N -3.16 0.02 0.00 1.06 -0.58 -1.26 -1.72 120.64 115.00 2pkr n GLU 135 Ca -0.01 0.39 0.13 0.00 -0.42 0.00 0.00 57.16 57.25 2pkr n GLU 135 Cb 0.22 -1.54 0.37 0.00 -0.57 0.00 0.00 31.44 29.92 2pkr n GLU 135 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pkr n GLY 136 N -0.75 -1.31 3.77 0.62 0.00 -0.89 -4.90 105.19 101.74 2pkr n GLY 136 Ca 0.02 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 2pkr n GLY 136 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2pkr s TYR 137 N -2.98 2.78 0.02 1.61 5.04 -0.70 -5.04 117.35 118.07 2pkr s TYR 137 Ca 0.12 1.37 0.02 0.00 -2.44 0.00 0.00 57.07 56.14 2pkr s TYR 137 Cb 0.18 -3.74 -0.01 0.00 0.35 0.00 0.00 41.96 38.74 2pkr s TYR 137 CO 0.64 -2.26 -0.06 0.95 -1.34 0.00 0.00 175.55 173.48 2pkr s THR 138 N -1.22 0.40 0.63 4.34 -4.23 -1.26 -5.03 115.64 109.26 2pkr s THR 138 Ca 0.56 -0.63 0.33 0.00 -1.18 0.00 0.00 61.69 60.76 2pkr s THR 138 Cb -0.40 -0.42 0.36 0.00 1.34 0.00 0.00 72.50 73.39 2pkr s THR 138 CO 0.52 -0.17 2.09 -0.74 -0.54 0.00 0.00 174.62 175.78 2pkr h HIS 139 N 5.25 0.00 0.00 3.99 2.76 -1.96 -1.70 115.15 123.49 2pkr h HIS 139 Ca -0.31 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.85 2pkr h HIS 139 Cb 1.20 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.16 2pkr h HIS 139 CO 0.53 0.00 -0.04 0.00 -1.30 0.00 0.00 177.93 177.12 2pkr h ALA 140 N 1.66 1.29 -1.80 5.26 0.00 -1.96 -3.41 119.26 120.31 2pkr h ALA 140 Ca 0.05 -0.04 -0.56 0.00 0.00 0.00 0.00 54.91 54.36 2pkr h ALA 140 Cb 0.49 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2pkr h ALA 140 CO -0.00 0.05 1.27 -0.51 0.00 0.00 0.00 179.25 180.06 2pkr s ASP 141 N -5.90 5.83 0.32 0.00 1.01 -0.64 -4.86 116.67 112.42 2pkr s ASP 141 Ca -0.04 1.09 0.17 0.00 0.71 0.00 0.00 52.55 54.48 2pkr s ASP 141 Cb 0.14 -2.53 0.23 0.00 1.01 0.00 0.00 42.92 41.77 2pkr s ASP 141 CO 0.53 -1.80 1.52 0.71 0.21 0.00 0.00 175.17 176.35 2pkr h THR 142 N 6.79 0.74 -3.41 -1.27 1.35 -1.90 -3.44 112.91 111.77 2pkr h THR 142 Ca -0.32 -1.92 -0.35 0.00 -0.55 0.00 0.00 66.41 63.28 2pkr h THR 142 Cb 1.16 2.27 -0.36 0.00 -1.73 0.00 0.00 68.15 69.49 2pkr h THR 142 CO 1.07 0.40 -0.74 -0.63 -0.25 0.00 0.00 175.52 175.37 2pkr s ILE 143 N -3.11 -0.00 0.13 6.82 1.01 -1.26 -1.09 121.20 123.70 2pkr s ILE 143 Ca 0.04 0.27 0.04 0.00 0.00 0.00 0.00 60.65 61.00 2pkr s ILE 143 Cb 0.08 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 42.33 2pkr s ILE 143 CO 0.72 0.15 -0.11 0.27 0.00 0.00 0.00 174.94 175.97 2pkr s ILE 144 N 1.58 1.12 -0.03 2.92 -4.36 -0.24 -4.00 121.20 118.19 2pkr s ILE 144 Ca -0.02 -1.90 0.07 0.00 -0.26 0.00 0.00 60.65 58.54 2pkr s ILE 144 Cb -0.13 -1.67 -0.02 0.00 1.25 0.00 0.00 42.46 41.90 2pkr s ILE 144 CO -0.03 -0.65 -0.24 -0.55 0.24 0.00 0.00 174.94 173.71 2pkr s SER 145 N -2.87 3.23 -0.07 4.36 0.15 -0.07 0.05 113.70 118.48 2pkr s SER 145 Ca 0.12 -0.43 0.16 0.00 0.70 0.00 0.00 55.95 56.50 2pkr s SER 145 Cb 0.00 -0.50 0.57 0.00 -1.71 0.00 0.00 66.02 64.38 2pkr s SER 145 CO 0.01 0.31 1.46 -3.20 1.20 0.00 0.00 173.24 173.02 2pkr n ASN 146 N 2.49 3.77 -0.59 5.45 5.15 -0.54 -0.82 115.26 130.16 2pkr n ASN 146 Ca -0.16 -2.28 0.00 0.00 -0.60 0.00 0.00 54.58 51.54 2pkr n ASN 146 Cb 0.51 -0.49 0.00 0.00 -0.53 0.00 0.00 39.78 39.27 2pkr n ASN 146 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pkr n ALA 147 N 0.96 0.00 -2.02 5.20 0.00 -1.25 -4.80 120.51 118.60 2pkr n ALA 147 Ca 0.21 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.46 2pkr n ALA 147 Cb 0.69 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.17 2pkr n ALA 147 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2pkr s SER 148 N -4.00 5.44 0.20 0.00 1.04 -1.26 -3.38 113.70 111.74 2pkr s SER 148 Ca 0.00 -0.52 -0.08 0.00 0.48 0.00 0.00 55.95 55.82 2pkr s SER 148 Cb 0.00 -0.37 0.11 0.00 0.10 0.00 0.00 66.02 65.86 2pkr s SER 148 CO 0.00 -0.98 1.71 0.00 0.98 0.00 0.00 173.24 174.95 2pkr h THR 150 N 1.08 1.27 -0.60 0.00 2.02 -1.95 -2.26 112.91 112.46 2pkr h THR 150 Ca 0.22 -1.27 -0.09 0.00 0.77 0.00 0.00 66.41 66.04 2pkr h THR 150 Cb 0.38 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 2pkr h THR 150 CO 0.00 0.42 0.00 0.74 0.37 0.00 0.00 175.52 177.06 2pkr h THR 151 N 0.60 1.26 0.00 3.16 2.02 -1.81 -1.23 112.91 116.92 2pkr h THR 151 Ca 0.09 -1.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.11 2pkr h THR 151 Cb 0.68 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2pkr h THR 151 CO 0.05 0.41 -0.08 0.78 0.37 0.00 0.00 175.52 177.05 2pkr h ASN 152 N 0.96 0.00 0.14 4.18 4.21 -1.14 -0.87 115.58 123.06 2pkr h ASN 152 Ca 0.17 0.00 -0.30 0.00 1.21 0.00 0.00 56.30 57.38 2pkr h ASN 152 Cb 0.55 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.75 2pkr h ASN 152 CO 0.03 0.08 -1.49 0.00 -1.29 0.00 0.00 177.43 174.76 2pkr h LEU 154 N -0.16 -0.18 -0.86 0.00 5.85 -1.12 -3.39 115.31 115.45 2pkr h LEU 154 Ca -0.31 -0.28 0.22 0.00 0.84 0.00 0.00 57.88 58.35 2pkr h LEU 154 Cb 1.88 0.05 -0.15 0.00 0.37 0.00 0.00 40.66 42.81 2pkr h LEU 154 CO 0.11 0.39 0.11 0.00 -0.34 0.00 0.00 178.44 178.71 2pkr h ALA 155 N -0.59 1.08 0.02 1.25 0.00 -1.40 -0.96 119.26 118.66 2pkr h ALA 155 Ca -0.02 0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2pkr h ALA 155 Cb 0.45 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2pkr h ALA 155 CO 0.04 -0.47 -0.14 -1.35 0.00 0.00 0.00 179.25 177.33 2pkr h PRO 156 N 0.13 -0.23 0.00 0.00 0.11 -1.78 0.82 132.00 131.05 2pkr h PRO 156 Ca 0.51 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.64 2pkr h PRO 156 Cb 1.00 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2pkr h PRO 156 CO -0.71 -0.15 -0.09 0.27 -0.21 0.00 0.00 178.00 177.11 2pkr h PHE 157 N -0.24 0.00 -0.10 0.65 -5.15 -1.58 -2.81 116.94 107.72 2pkr h PHE 157 Ca 0.04 0.00 -0.16 0.00 -0.20 0.00 0.00 57.97 57.65 2pkr h PHE 157 Cb 0.29 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.45 2pkr h PHE 157 CO -0.18 0.00 -0.64 0.28 -2.00 0.00 0.00 178.31 175.77 2pkr h VAL 158 N 0.00 1.37 -0.60 0.88 2.07 -0.92 -0.20 116.25 118.85 2pkr h VAL 158 Ca 0.00 -2.00 -0.04 0.00 0.82 0.00 0.00 66.70 65.48 2pkr h VAL 158 Cb 0.83 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.57 2pkr h VAL 158 CO 0.00 0.60 0.21 0.50 0.02 0.00 0.00 177.57 178.90 2pkr h LYS 159 N 0.27 0.93 -0.42 1.57 3.64 -0.59 0.25 116.57 122.22 2pkr h LYS 159 Ca -0.01 -0.19 -0.07 0.00 -1.27 0.00 0.00 60.65 59.11 2pkr h LYS 159 Cb 1.17 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 2pkr h LYS 159 CO 0.11 0.81 -0.03 0.28 -2.27 0.00 0.00 179.45 178.35 2pkr h VAL 160 N 0.85 1.27 -0.82 2.00 2.07 -1.27 -1.85 116.25 118.50 2pkr h VAL 160 Ca 0.20 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 2pkr h VAL 160 Cb 0.26 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 2pkr h VAL 160 CO -0.01 0.36 0.37 -0.07 0.02 0.00 0.00 177.57 178.24 2pkr h LEU 161 N 0.58 1.10 -0.33 2.57 3.38 -0.70 -0.92 115.31 120.99 2pkr h LEU 161 Ca 0.12 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 2pkr h LEU 161 Cb 0.52 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2pkr h LEU 161 CO 0.03 0.94 -0.12 -0.78 0.09 0.00 0.00 178.44 178.59 2pkr h ASP 162 N 1.18 0.69 -0.28 -0.43 3.58 -0.81 0.16 116.42 120.50 2pkr h ASP 162 Ca 0.28 -0.39 -0.04 0.00 0.42 0.00 0.00 57.03 57.30 2pkr h ASP 162 Cb 0.16 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 2pkr h ASP 162 CO -0.03 0.92 0.01 1.56 -2.88 0.00 0.00 179.24 178.82 2pkr h GLN 163 N 0.45 0.49 0.08 0.28 4.20 -1.16 -0.52 115.11 118.92 2pkr h GLN 163 Ca 0.08 -0.15 -0.26 0.00 0.06 0.00 0.00 58.65 58.38 2pkr h GLN 163 Cb 0.64 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2pkr h GLN 163 CO 0.04 0.63 -1.21 0.87 -0.67 0.00 0.00 178.83 178.50 2pkr h LYS 164 N 0.28 0.16 0.00 1.46 6.56 -1.17 -3.41 116.57 120.46 2pkr h LYS 164 Ca 0.08 -0.28 0.00 0.00 -1.06 0.00 0.00 60.65 59.39 2pkr h LYS 164 Cb 0.40 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.17 2pkr h LYS 164 CO 0.01 1.10 -0.47 1.19 -2.06 0.00 0.00 179.45 179.22 2pkr n PHE 165 N -3.44 0.00 -1.54 -1.35 3.72 0.50 -4.94 117.46 110.42 2pkr n PHE 165 Ca -0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.33 2pkr n PHE 165 Cb 1.00 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.53 2pkr n PHE 165 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pkr n GLY 166 N 1.39 -3.52 3.66 1.37 0.00 -0.20 -1.63 105.19 106.26 2pkr n GLY 166 Ca 0.00 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 2pkr n GLY 166 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pkr s ILE 167 N -0.15 4.79 -0.18 -0.61 1.01 -1.26 -0.31 121.20 124.49 2pkr s ILE 167 Ca -0.03 1.81 -0.23 0.00 0.00 0.00 0.00 60.65 62.19 2pkr s ILE 167 Cb 0.00 -4.21 -0.21 0.00 0.01 0.00 0.00 42.46 38.05 2pkr s ILE 167 CO 0.09 -0.07 0.40 0.40 0.00 0.00 0.00 174.94 175.76 2pkr h ILE 168 N 5.32 1.18 -2.12 2.92 2.04 -1.29 -3.48 117.51 122.07 2pkr h ILE 168 Ca -0.25 -2.16 0.15 0.00 1.00 0.00 0.00 64.86 63.60 2pkr h ILE 168 Cb 1.10 2.51 -0.15 0.00 -0.74 0.00 0.00 36.82 39.54 2pkr h ILE 168 CO 0.89 0.40 0.56 -1.59 0.00 0.00 0.00 178.15 178.41 2pkr s LYS 169 N -2.28 0.77 0.17 2.37 -2.85 -1.20 -4.81 119.74 111.90 2pkr s LYS 169 Ca -0.24 -0.31 -0.23 0.00 -1.00 0.00 0.00 55.97 54.19 2pkr s LYS 169 Cb 0.02 0.33 0.08 0.00 -2.06 0.00 0.00 37.83 36.20 2pkr s LYS 169 CO 0.60 -0.34 1.03 0.20 0.10 0.00 0.00 175.35 176.94 2pkr s GLY 170 N -2.51 0.03 0.04 0.59 0.00 0.08 -1.13 107.32 104.41 2pkr s GLY 170 Ca 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 44.72 44.56 2pkr s GLY 170 CO -0.07 1.94 -0.02 -1.08 0.00 0.00 0.00 173.10 173.87 2pkr s THR 171 N -2.37 0.17 0.04 0.90 -1.32 0.33 -3.05 115.64 110.34 2pkr s THR 171 Ca 0.20 -1.41 -0.00 0.00 -1.21 0.00 0.00 61.69 59.27 2pkr s THR 171 Cb -0.02 -0.98 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 2pkr s THR 171 CO 0.04 -0.78 -0.04 0.00 -2.21 0.00 0.00 174.62 171.64 2pkr s MET 172 N -2.85 0.51 -0.04 7.08 0.23 -0.19 -1.28 119.30 122.75 2pkr s MET 172 Ca -0.03 -0.97 -0.01 0.00 -1.03 0.00 0.00 55.69 53.65 2pkr s MET 172 Cb 0.00 0.12 0.03 0.00 -1.53 0.00 0.00 34.83 33.45 2pkr s MET 172 CO -0.06 -0.07 0.06 0.99 -2.03 0.00 0.00 175.02 173.91 2pkr s THR 173 N -2.82 -0.09 -0.21 3.16 2.01 -0.08 -1.87 115.64 115.73 2pkr s THR 173 Ca -0.02 0.32 -0.05 0.00 0.31 0.00 0.00 61.69 62.25 2pkr s THR 173 Cb -0.00 -0.14 -0.02 0.00 0.01 0.00 0.00 72.50 72.35 2pkr s THR 173 CO -0.06 0.13 -0.01 0.28 -0.69 0.00 0.00 174.62 174.28 2pkr s THR 174 N 1.65 3.82 -0.62 -0.82 -1.32 -0.47 -0.57 115.64 117.32 2pkr s THR 174 Ca -0.02 -0.35 -0.22 0.00 -1.21 0.00 0.00 61.69 59.89 2pkr s THR 174 Cb -0.12 -2.74 0.07 0.00 -1.51 0.00 0.00 72.50 68.20 2pkr s THR 174 CO -0.03 0.42 0.88 -0.89 -2.21 0.00 0.00 174.62 172.78 2pkr s THR 175 N 1.20 4.48 -0.04 5.08 2.01 0.06 -0.09 115.64 128.34 2pkr s THR 175 Ca 0.03 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.61 2pkr s THR 175 Cb -0.15 -4.59 -0.03 0.00 0.01 0.00 0.00 72.50 67.74 2pkr s THR 175 CO 0.01 -1.29 -0.00 -2.28 -0.69 0.00 0.00 174.62 170.37 2pkr s HIS 176 N 3.65 3.11 0.83 4.92 5.04 0.15 -1.68 115.29 131.31 2pkr s HIS 176 Ca 0.20 0.13 -0.11 0.00 -1.54 0.00 0.00 55.06 53.74 2pkr s HIS 176 Cb -0.18 -1.72 0.10 0.00 0.04 0.00 0.00 32.58 30.81 2pkr s HIS 176 CO 0.11 0.46 1.12 -1.12 -2.34 0.00 0.00 174.74 172.97 2pkr s SER 177 N -1.24 3.74 0.70 9.88 0.01 -1.25 -0.59 113.70 124.96 2pkr s SER 177 Ca 0.17 2.03 -0.11 0.00 1.31 0.00 0.00 55.95 59.35 2pkr s SER 177 Cb -0.11 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.58 2pkr s SER 177 CO 0.07 -2.55 1.06 -0.72 0.41 0.00 0.00 173.24 171.51 2pkr s TYR 178 N -2.72 3.02 0.30 2.43 -0.85 -0.42 -4.66 117.35 114.46 2pkr s TYR 178 Ca 0.65 1.45 0.03 0.00 -0.52 0.00 0.00 57.07 58.67 2pkr s TYR 178 Cb -0.21 -2.91 -0.05 0.00 0.38 0.00 0.00 41.96 39.17 2pkr s TYR 178 CO 0.56 -1.32 0.09 0.95 -1.52 0.00 0.00 175.55 174.31 2pkr s THR 179 N -3.00 0.81 -0.43 -3.49 -4.23 -1.26 -4.71 115.64 99.33 2pkr s THR 179 Ca 0.59 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.23 2pkr s THR 179 Cb -0.15 -2.68 0.14 0.00 1.34 0.00 0.00 72.50 71.15 2pkr s THR 179 CO 0.54 0.00 1.40 0.61 -0.54 0.00 0.00 174.62 176.63 2pkr n GLY 180 N -0.60 -0.71 0.13 3.99 0.00 -1.26 -1.28 105.19 105.46 2pkr n GLY 180 Ca -0.01 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.26 2pkr n GLY 180 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2pkr h ASP 181 N 0.00 0.00 -3.18 1.61 3.58 -1.99 -3.44 116.42 113.00 2pkr h ASP 181 Ca 0.00 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 56.98 2pkr h ASP 181 Cb 0.07 0.00 0.04 0.00 1.72 0.00 0.00 39.33 41.16 2pkr h ASP 181 CO 0.00 0.00 0.02 -1.10 -2.88 0.00 0.00 179.24 175.28 2pkr s GLN 182 N -3.22 3.10 -0.00 0.28 -0.21 -0.41 -4.98 119.66 114.22 2pkr s GLN 182 Ca 0.08 -0.22 -0.08 0.00 0.02 0.00 0.00 55.36 55.15 2pkr s GLN 182 Cb 0.11 -2.44 -0.05 0.00 1.00 0.00 0.00 33.01 31.63 2pkr s GLN 182 CO 0.53 -0.39 0.29 1.03 -2.12 0.00 0.00 175.29 174.63 2pkr s ARG 183 N -4.72 3.64 0.06 2.91 1.81 -1.08 -4.97 118.95 116.59 2pkr s ARG 183 Ca 0.50 0.03 -0.25 0.00 -1.72 0.00 0.00 55.73 54.29 2pkr s ARG 183 Cb -0.10 -3.11 -0.17 0.00 -0.45 0.00 0.00 34.95 31.12 2pkr s ARG 183 CO 0.41 0.66 1.59 1.25 -0.68 0.00 0.00 175.30 178.54 2pkr h LEU 184 N 4.22 -0.11 -8.77 2.53 5.85 -1.90 -1.24 115.31 115.89 2pkr h LEU 184 Ca -0.51 -0.11 -0.56 0.00 0.84 0.00 0.00 57.88 57.55 2pkr h LEU 184 Cb 1.21 0.03 -0.20 0.00 0.37 0.00 0.00 40.66 42.06 2pkr h LEU 184 CO 0.64 0.04 -0.81 -0.76 -0.34 0.00 0.00 178.44 177.21 2pkr s LEU 185 N -9.92 2.36 -0.47 2.25 1.43 -1.26 -3.55 118.68 109.52 2pkr s LEU 185 Ca -0.14 -0.77 -0.43 0.00 -1.03 0.00 0.00 54.13 51.75 2pkr s LEU 185 Cb 0.05 -0.89 -0.18 0.00 0.03 0.00 0.00 46.19 45.19 2pkr s LEU 185 CO 0.65 0.03 1.60 0.47 0.23 0.00 0.00 176.35 179.33 2pkr n ASP 186 N 0.71 1.04 -3.82 2.29 9.92 -1.25 -4.48 116.55 120.96 2pkr n ASP 186 Ca -0.16 1.01 -0.09 0.00 -0.53 0.00 0.00 54.79 55.02 2pkr n ASP 186 Cb 0.55 -0.83 -0.04 0.00 -0.64 0.00 0.00 41.12 40.17 2pkr n ASP 186 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2pkr s ALA 187 N 3.37 -0.84 0.36 2.24 0.00 -0.54 -4.95 121.76 121.41 2pkr s ALA 187 Ca 1.01 -0.38 -0.26 0.00 0.00 0.00 0.00 51.96 52.32 2pkr s ALA 187 Cb -1.40 0.90 -0.12 0.00 0.00 0.00 0.00 23.12 22.50 2pkr s ALA 187 CO 0.73 -0.86 1.06 0.43 0.00 0.00 0.00 175.76 177.12 2pkr n SER 188 N -0.37 1.54 -3.64 0.00 7.64 -1.26 -4.55 113.62 112.98 2pkr n SER 188 Ca -0.07 1.11 -0.06 0.00 1.01 0.00 0.00 58.87 60.86 2pkr n SER 188 Cb 0.62 -1.36 -0.07 0.00 -1.01 0.00 0.00 64.21 62.39 2pkr n SER 188 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2pkr s HIS 190 N -1.17 -0.44 0.37 1.43 5.04 -1.26 -4.90 115.29 114.35 2pkr s HIS 190 Ca 0.60 1.01 0.06 0.00 -1.54 0.00 0.00 55.06 55.19 2pkr s HIS 190 Cb -0.61 0.37 0.76 0.00 0.04 0.00 0.00 32.58 33.15 2pkr s HIS 190 CO 0.59 -0.21 1.97 0.07 -2.34 0.00 0.00 174.74 174.82 2pkr h ARG 191 N 4.56 0.70 -5.50 2.88 0.11 -1.97 -3.34 114.38 111.82 2pkr h ARG 191 Ca -0.28 -0.04 -0.65 0.00 0.10 0.00 0.00 59.98 59.11 2pkr h ARG 191 Cb 1.18 -0.16 -0.14 0.00 1.11 0.00 0.00 29.97 31.96 2pkr h ARG 191 CO 0.14 0.46 0.18 0.34 0.10 0.00 0.00 179.97 181.19 2pkr s ASP 192 N -6.25 6.36 0.10 0.08 -1.08 -1.26 -4.92 116.67 109.69 2pkr s ASP 192 Ca -0.09 -0.22 0.11 0.00 -0.52 0.00 0.00 52.55 51.82 2pkr s ASP 192 Cb 0.19 -2.33 0.51 0.00 -1.46 0.00 0.00 42.92 39.82 2pkr s ASP 192 CO 0.77 -0.78 1.33 0.18 0.52 0.00 0.00 175.17 177.18 2pkr n LEU 193 N 6.33 0.21 -0.03 -1.34 4.77 -1.25 -2.08 117.00 123.60 2pkr n LEU 193 Ca -0.01 0.58 -0.19 0.00 -0.03 0.00 0.00 56.01 56.36 2pkr n LEU 193 Cb 0.48 -0.59 -0.14 0.00 -2.33 0.00 0.00 43.42 40.85 2pkr n LEU 193 CO 0.54 -0.57 -0.93 0.54 -1.33 0.00 0.00 177.39 175.65 2pkr n ARG 194 N -1.76 0.72 0.00 3.23 1.74 -1.26 -3.68 116.66 115.65 2pkr n ARG 194 Ca 0.01 0.23 0.09 0.00 -0.77 0.00 0.00 57.85 57.41 2pkr n ARG 194 Cb 0.07 -1.67 0.56 0.00 -1.02 0.00 0.00 32.46 30.40 2pkr n ARG 194 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2pkr n ARG 195 N -3.37 0.58 0.17 5.56 1.74 -0.88 -1.49 116.66 118.97 2pkr n ARG 195 Ca -0.34 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 56.85 2pkr n ARG 195 Cb 1.04 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 31.07 2pkr n ARG 195 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pkr h ALA 196 N 3.18 0.79 -2.66 7.54 0.00 -1.55 -2.87 119.26 123.69 2pkr h ALA 196 Ca 0.00 -0.05 -0.48 0.00 0.00 0.00 0.00 54.91 54.37 2pkr h ALA 196 Cb 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2pkr h ALA 196 CO 0.00 0.06 0.35 1.03 0.00 0.00 0.00 179.25 180.70 2pkr s ARG 197 N -3.24 4.77 -0.68 0.00 1.81 -0.55 -1.47 118.95 119.58 2pkr s ARG 197 Ca 0.04 1.45 -0.38 0.00 -1.72 0.00 0.00 55.73 55.11 2pkr s ARG 197 Cb 0.07 -3.13 -0.20 0.00 -0.45 0.00 0.00 34.95 31.24 2pkr s ARG 197 CO 0.72 0.44 2.31 0.00 -0.68 0.00 0.00 175.30 178.09 2pkr n ALA 198 N 1.19 0.24 -0.17 2.13 0.00 -1.26 -4.48 120.51 118.17 2pkr n ALA 198 Ca -0.01 0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.51 2pkr n ALA 198 Cb 0.48 -2.12 0.36 0.00 0.00 0.00 0.00 19.45 18.18 2pkr n ALA 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pkr h ALA 199 N 9.97 1.71 -0.01 0.00 0.00 -1.27 -2.42 119.26 127.25 2pkr h ALA 199 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2pkr h ALA 199 Cb 1.35 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2pkr h ALA 199 CO 1.18 0.18 -0.02 0.00 0.00 0.00 0.00 179.25 180.59 2pkr n LEU 201 N -0.37 0.50 -4.27 0.00 4.77 -0.93 -4.76 117.00 111.95 2pkr n LEU 201 Ca 0.20 -0.51 -0.15 0.00 -0.03 0.00 0.00 56.01 55.52 2pkr n LEU 201 Cb 0.26 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 2pkr n LEU 201 CO 0.18 0.12 -0.34 0.20 -1.33 0.00 0.00 177.39 176.23 2pkr s ASN 202 N -1.91 1.47 -0.36 -1.43 -0.87 -1.13 -5.06 114.94 105.64 2pkr s ASN 202 Ca 0.04 -1.17 -0.13 0.00 -1.57 0.00 0.00 52.86 50.03 2pkr s ASN 202 Cb 0.08 0.07 -0.00 0.00 -0.02 0.00 0.00 41.25 41.38 2pkr s ASN 202 CO 0.40 -0.53 0.24 -0.63 -2.57 0.00 0.00 177.10 174.01 2pkr s ILE 203 N -3.55 5.11 -0.43 0.60 1.01 -1.26 -4.09 121.20 118.59 2pkr s ILE 203 Ca 0.25 -0.43 -0.09 0.00 0.00 0.00 0.00 60.65 60.38 2pkr s ILE 203 Cb 0.06 -3.71 0.10 0.00 0.01 0.00 0.00 42.46 38.91 2pkr s ILE 203 CO 0.05 -0.11 0.28 -0.69 0.00 0.00 0.00 174.94 174.48 2pkr s VAL 204 N 1.68 4.13 0.35 2.92 1.01 0.25 -4.90 120.40 125.83 2pkr s VAL 204 Ca 0.05 -1.59 -0.27 0.00 0.00 0.00 0.00 61.98 60.17 2pkr s VAL 204 Cb -0.18 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 2pkr s VAL 204 CO 0.09 -0.61 1.19 -2.84 0.00 0.00 0.00 175.10 172.93 2pkr s PRO 205 N 1.38 4.31 0.00 2.72 0.02 -1.26 -0.36 135.00 141.81 2pkr s PRO 205 Ca 0.04 1.93 0.00 0.00 0.02 0.00 0.00 61.00 62.99 2pkr s PRO 205 Cb -0.24 -2.93 0.00 0.00 0.02 0.00 0.00 34.50 31.35 2pkr s PRO 205 CO 0.01 -0.12 0.00 -2.37 -0.33 0.00 0.00 177.00 174.18 2pkr n THR 206 N 0.60 0.00 -3.56 0.99 5.66 0.14 -4.75 114.28 113.36 2pkr n THR 206 Ca 0.02 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.80 2pkr n THR 206 Cb 0.45 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.21 2pkr n THR 206 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2pkr s SER 207 N -0.62 4.98 0.00 1.09 1.04 -1.26 -0.01 113.70 118.91 2pkr s SER 207 Ca 0.00 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.57 2pkr s SER 207 Cb 0.00 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.86 2pkr s SER 207 CO 0.00 -0.83 0.00 1.07 0.98 0.00 0.00 173.24 174.46 2pkr n THR 208 N -1.68 0.00 0.90 2.02 5.66 -1.26 -4.16 114.28 115.75 2pkr n THR 208 Ca 0.04 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.03 2pkr n THR 208 Cb 0.62 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.41 2pkr n THR 208 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2pkr n GLY 209 N 0.00 2.06 0.22 1.09 0.00 -1.26 -4.29 105.19 103.01 2pkr n GLY 209 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 2pkr n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pkr h ALA 210 N 1.97 -0.58 -0.53 4.61 0.00 -1.95 -3.14 119.26 119.63 2pkr h ALA 210 Ca 0.03 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.92 2pkr h ALA 210 Cb 1.03 0.19 -0.11 0.00 0.00 0.00 0.00 17.79 18.91 2pkr h ALA 210 CO 0.05 -0.55 -0.36 0.00 0.00 0.00 0.00 179.25 178.39 2pkr h ALA 211 N -1.33 -0.16 0.00 0.00 0.00 -1.91 0.10 119.26 115.96 2pkr h ALA 211 Ca -0.05 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2pkr h ALA 211 Cb 0.38 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2pkr h ALA 211 CO 0.08 -0.73 -0.22 0.87 0.00 0.00 0.00 179.25 179.26 2pkr h LYS 212 N -0.21 0.00 0.12 0.00 1.57 -1.80 -3.17 116.57 113.08 2pkr h LYS 212 Ca 0.20 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2pkr h LYS 212 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2pkr h LYS 212 CO -0.64 0.22 -0.06 0.00 -0.57 0.00 0.00 179.45 178.40 2pkr h ALA 213 N 1.78 -0.16 -1.00 3.86 0.00 -1.64 -3.35 119.26 118.76 2pkr h ALA 213 Ca -0.00 -0.20 0.37 0.00 0.00 0.00 0.00 54.91 55.08 2pkr h ALA 213 Cb 0.86 0.06 -0.18 0.00 0.00 0.00 0.00 17.79 18.53 2pkr h ALA 213 CO 0.03 -0.18 0.39 0.28 0.00 0.00 0.00 179.25 179.76 2pkr h VAL 214 N -0.96 0.03 0.00 0.00 2.07 -0.75 0.11 116.25 116.75 2pkr h VAL 214 Ca -0.02 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 2pkr h VAL 214 Cb 0.45 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2pkr h VAL 214 CO 0.03 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.58 2pkr h ALA 215 N 1.98 1.85 -0.66 1.67 0.00 -1.70 0.18 119.26 122.58 2pkr h ALA 215 Ca 0.77 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.56 2pkr h ALA 215 Cb 1.91 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 2pkr h ALA 215 CO -0.80 0.05 0.10 -0.07 0.00 0.00 0.00 179.25 178.53 2pkr h LEU 216 N 0.00 1.06 0.00 0.00 3.38 -0.91 -1.62 115.31 117.22 2pkr h LEU 216 Ca -0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2pkr h LEU 216 Cb 0.08 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2pkr h LEU 216 CO 0.01 1.05 -0.85 1.33 0.09 0.00 0.00 178.44 180.06 2pkr n VAL 217 N -4.21 0.04 -3.33 1.22 0.24 -1.01 -4.48 118.33 106.81 2pkr n VAL 217 Ca 0.04 -0.07 -0.26 0.00 -2.04 0.00 0.00 64.34 62.01 2pkr n VAL 217 Cb 0.30 0.52 -0.08 0.00 -1.47 0.00 0.00 33.84 33.10 2pkr n VAL 217 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2pkr n LEU 218 N -1.63 0.65 -0.38 1.34 4.77 0.61 -4.57 117.00 117.79 2pkr n LEU 218 Ca 0.04 -4.74 0.38 0.00 -0.03 0.00 0.00 56.01 51.66 2pkr n LEU 218 Cb 0.36 0.35 0.69 0.00 -2.33 0.00 0.00 43.42 42.49 2pkr n LEU 218 CO 0.40 1.99 1.35 -0.65 -1.33 0.00 0.00 177.39 179.14 2pkr h PRO 219 N 4.57 0.00 0.00 3.23 0.11 -1.52 0.21 132.00 138.61 2pkr h PRO 219 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2pkr h PRO 219 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2pkr h PRO 219 CO 0.50 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 176.58 2pkr n ASN 220 N -3.78 0.72 -1.08 -2.05 5.15 -1.26 -1.96 115.26 110.99 2pkr n ASN 220 Ca 0.29 0.68 0.11 0.00 -0.60 0.00 0.00 54.58 55.06 2pkr n ASN 220 Cb 1.52 -0.83 0.26 0.00 -0.53 0.00 0.00 39.78 40.20 2pkr n ASN 220 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2pkr n LEU 221 N -2.29 3.21 -4.66 1.20 4.32 0.74 -4.94 117.00 114.57 2pkr n LEU 221 Ca 0.02 -1.45 -0.46 0.00 -0.02 0.00 0.00 56.01 54.10 2pkr n LEU 221 Cb 0.23 -0.28 -0.04 0.00 -1.62 0.00 0.00 43.42 41.71 2pkr n LEU 221 CO 0.20 0.72 1.11 1.17 -1.22 0.00 0.00 177.39 179.37 2pkr n LYS 222 N 1.30 2.02 -0.79 3.23 4.81 -0.83 -1.30 118.16 126.61 2pkr n LYS 222 Ca 0.20 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 2pkr n LYS 222 Cb 0.55 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 33.15 2pkr n LYS 222 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pkr n GLY 223 N 2.95 0.35 0.05 3.14 0.00 -1.26 -4.85 105.19 105.56 2pkr n GLY 223 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 2pkr n GLY 223 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pkr n LYS 224 N -1.61 0.50 -4.32 1.61 5.02 -0.42 -4.98 118.16 113.96 2pkr n LYS 224 Ca 0.00 -0.03 -0.18 0.00 -2.02 0.00 0.00 58.31 56.08 2pkr n LYS 224 Cb 0.08 -1.64 -0.10 0.00 -0.02 0.00 0.00 35.03 33.35 2pkr n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2pkr s LEU 225 N -4.55 2.53 0.20 -0.35 1.43 -1.26 -0.74 118.68 115.94 2pkr s LEU 225 Ca -0.01 -0.99 -0.23 0.00 -1.03 0.00 0.00 54.13 51.87 2pkr s LEU 225 Cb 0.13 -0.64 0.05 0.00 0.03 0.00 0.00 46.19 45.76 2pkr s LEU 225 CO 0.84 -0.17 0.73 0.21 0.23 0.00 0.00 176.35 178.18 2pkr s ASN 226 N -3.17 -0.36 0.00 2.29 2.47 -1.17 -4.55 114.94 110.45 2pkr s ASN 226 Ca 0.20 -0.33 0.00 0.00 0.42 0.00 0.00 52.86 53.15 2pkr s ASN 226 Cb -0.01 0.62 0.00 0.00 -1.45 0.00 0.00 41.25 40.41 2pkr s ASN 226 CO 0.06 -1.10 0.00 0.61 -3.72 0.00 0.00 177.10 172.95 2pkr n GLY 227 N -0.42 -1.28 3.42 1.21 0.00 -1.26 -1.02 105.19 105.84 2pkr n GLY 227 Ca -0.09 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 2pkr n GLY 227 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2pkr s ILE 228 N -2.88 0.00 0.03 -0.61 -5.25 -0.78 -4.86 121.20 106.84 2pkr s ILE 228 Ca 0.00 -1.71 0.06 0.00 -0.99 0.00 0.00 60.65 58.01 2pkr s ILE 228 Cb 0.00 -2.54 -0.02 0.00 2.95 0.00 0.00 42.46 42.85 2pkr s ILE 228 CO 0.00 0.00 -0.18 0.00 -1.79 0.00 0.00 174.94 172.97 2pkr s ALA 229 N -3.41 1.53 -0.30 2.27 0.00 0.98 -1.37 121.76 121.46 2pkr s ALA 229 Ca 0.33 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.41 2pkr s ALA 229 Cb 0.01 -0.31 0.08 0.00 0.00 0.00 0.00 23.12 22.89 2pkr s ALA 229 CO 0.19 0.34 -0.03 -0.51 0.00 0.00 0.00 175.76 175.75 2pkr s LEU 230 N -0.93 4.02 0.11 0.00 1.43 0.88 -0.68 118.68 123.50 2pkr s LEU 230 Ca 0.06 -1.69 -0.29 0.00 -1.03 0.00 0.00 54.13 51.18 2pkr s LEU 230 Cb -0.08 -1.60 -0.06 0.00 0.03 0.00 0.00 46.19 44.48 2pkr s LEU 230 CO 0.01 -0.28 0.93 -0.13 0.23 0.00 0.00 176.35 177.11 2pkr s ARG 231 N 1.04 4.68 0.20 1.70 1.81 0.51 -0.68 118.95 128.22 2pkr s ARG 231 Ca -0.01 1.40 0.05 0.00 -1.72 0.00 0.00 55.73 55.45 2pkr s ARG 231 Cb -0.20 -3.36 -0.05 0.00 -0.45 0.00 0.00 34.95 30.89 2pkr s ARG 231 CO -0.06 0.26 -0.08 0.14 -0.68 0.00 0.00 175.30 174.88 2pkr s VAL 232 N -0.13 1.31 -0.11 3.52 -7.23 0.25 0.87 120.40 118.86 2pkr s VAL 232 Ca 0.45 -2.09 -0.02 0.00 -1.81 0.00 0.00 61.98 58.51 2pkr s VAL 232 Cb -0.23 -2.10 -0.05 0.00 0.56 0.00 0.00 36.38 34.56 2pkr s VAL 232 CO 0.29 -0.54 1.29 -2.65 -0.31 0.00 0.00 175.10 173.18 2pkr n PRO 233 N -0.35 0.58 -4.52 4.82 -0.02 -1.25 -2.78 135.00 131.48 2pkr n PRO 233 Ca -0.08 -0.43 -0.22 0.00 -2.02 0.00 0.00 63.50 60.76 2pkr n PRO 233 Cb 0.62 -1.79 -0.14 0.00 -0.02 0.00 0.00 33.50 32.17 2pkr n PRO 233 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2pkr s THR 234 N 3.10 1.16 -0.26 3.45 -4.23 -1.26 -5.00 115.64 112.60 2pkr s THR 234 Ca 0.15 -0.83 0.28 0.00 -1.18 0.00 0.00 61.69 60.11 2pkr s THR 234 Cb 0.06 -1.01 0.35 0.00 1.34 0.00 0.00 72.50 73.24 2pkr s THR 234 CO -0.00 0.17 1.78 1.55 -0.54 0.00 0.00 174.62 177.58 2pkr h PRO 235 N 5.33 0.00 -1.56 3.99 0.13 -1.87 -1.12 132.00 136.91 2pkr h PRO 235 Ca -0.37 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.84 2pkr h PRO 235 Cb 1.17 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.07 2pkr h PRO 235 CO 0.46 0.00 0.54 1.21 -0.23 0.00 0.00 178.00 179.99 2pkr s ASN 236 N -5.68 -0.37 0.00 1.44 2.47 -1.26 -4.65 114.94 106.89 2pkr s ASN 236 Ca 0.05 0.43 0.00 0.00 0.42 0.00 0.00 52.86 53.76 2pkr s ASN 236 Cb 0.08 0.34 0.00 0.00 -1.45 0.00 0.00 41.25 40.22 2pkr s ASN 236 CO 0.59 -0.32 0.00 0.52 -3.72 0.00 0.00 177.10 174.17 2pkr n VAL 237 N 0.84 -0.56 -4.48 -5.21 0.31 -1.26 -4.90 118.33 103.08 2pkr n VAL 237 Ca -0.10 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 63.99 2pkr n VAL 237 Cb 0.58 -0.56 -0.09 0.00 -0.91 0.00 0.00 33.84 32.86 2pkr n VAL 237 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2pkr s SER 238 N -0.24 2.50 -0.10 4.52 0.01 0.41 -3.82 113.70 116.98 2pkr s SER 238 Ca 0.00 -1.54 -0.06 0.00 1.31 0.00 0.00 55.95 55.66 2pkr s SER 238 Cb 0.00 0.27 0.04 0.00 0.21 0.00 0.00 66.02 66.54 2pkr s SER 238 CO 0.00 -0.80 0.25 0.54 0.41 0.00 0.00 173.24 173.64 2pkr s VAL 239 N -3.29 -0.03 -0.13 3.43 0.11 -0.68 -0.85 120.40 118.97 2pkr s VAL 239 Ca 0.29 0.12 -0.07 0.00 -2.93 0.00 0.00 61.98 59.39 2pkr s VAL 239 Cb 0.05 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 2pkr s VAL 239 CO 0.15 0.05 0.13 0.68 -3.33 0.00 0.00 175.10 172.78 2pkr s VAL 240 N 1.02 5.44 -0.31 2.04 -7.23 -0.27 -0.76 120.40 120.34 2pkr s VAL 240 Ca -0.07 0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.29 2pkr s VAL 240 Cb -0.08 -3.38 0.07 0.00 0.56 0.00 0.00 36.38 33.54 2pkr s VAL 240 CO -0.07 0.59 -0.00 -0.62 -0.31 0.00 0.00 175.10 174.69 2pkr s ASP 241 N -0.83 4.78 -0.15 4.85 2.15 0.27 -1.64 116.67 126.10 2pkr s ASP 241 Ca 0.14 -1.51 -0.03 0.00 0.43 0.00 0.00 52.55 51.58 2pkr s ASP 241 Cb -0.12 -1.67 -0.02 0.00 -0.30 0.00 0.00 42.92 40.81 2pkr s ASP 241 CO 0.03 -0.29 -0.05 -0.22 -0.17 0.00 0.00 175.17 174.48 2pkr s LEU 242 N 1.15 3.16 -0.17 -1.34 2.96 -0.55 -0.91 118.68 122.99 2pkr s LEU 242 Ca -0.03 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 2pkr s LEU 242 Cb -0.20 -1.76 0.02 0.00 0.50 0.00 0.00 46.19 44.75 2pkr s LEU 242 CO -0.03 0.16 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.29 2pkr s VAL 243 N 0.40 1.84 0.05 1.68 1.01 -0.41 -0.07 120.40 124.90 2pkr s VAL 243 Ca -0.05 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.15 2pkr s VAL 243 Cb -0.14 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 2pkr s VAL 243 CO 0.03 0.50 -0.09 0.68 0.00 0.00 0.00 175.10 176.22 2pkr s VAL 244 N 1.38 0.65 -0.20 2.92 -7.23 -0.16 -0.51 120.40 117.25 2pkr s VAL 244 Ca 0.05 -1.09 -0.10 0.00 -1.81 0.00 0.00 61.98 59.03 2pkr s VAL 244 Cb -0.13 -0.69 -0.05 0.00 0.56 0.00 0.00 36.38 36.07 2pkr s VAL 244 CO -0.12 -0.33 0.13 -1.58 -0.31 0.00 0.00 175.10 172.89 2pkr s GLN 245 N -1.54 4.17 0.30 4.82 0.74 -0.29 -0.25 119.66 127.61 2pkr s GLN 245 Ca -0.08 -0.23 0.08 0.00 0.05 0.00 0.00 55.36 55.18 2pkr s GLN 245 Cb -0.10 -3.42 -0.04 0.00 1.10 0.00 0.00 33.01 30.55 2pkr s GLN 245 CO 0.01 0.28 0.12 0.14 -0.55 0.00 0.00 175.29 175.28 2pkr s VAL 246 N 0.43 3.42 0.02 1.34 -7.23 -0.22 -0.81 120.40 117.34 2pkr s VAL 246 Ca 0.08 -1.69 0.02 0.00 -1.81 0.00 0.00 61.98 58.57 2pkr s VAL 246 Cb -0.11 -3.02 -0.25 0.00 0.56 0.00 0.00 36.38 33.55 2pkr s VAL 246 CO -0.01 -0.27 0.92 0.77 -0.31 0.00 0.00 175.10 176.20 2pkr h SER 247 N 1.62 0.24 -3.59 4.85 4.64 -0.24 -3.45 113.55 117.62 2pkr h SER 247 Ca -0.45 -0.34 -0.63 0.00 -0.47 0.00 0.00 61.79 59.91 2pkr h SER 247 Cb 1.25 -0.08 -0.14 0.00 -0.31 0.00 0.00 62.40 63.12 2pkr h SER 247 CO 0.61 1.28 0.00 -0.54 -0.87 0.00 0.00 176.83 177.32 2pkr s LYS 248 N -2.63 3.87 0.51 4.77 1.02 -0.64 -5.04 119.74 121.60 2pkr s LYS 248 Ca -0.06 0.14 -0.21 0.00 0.02 0.00 0.00 55.97 55.86 2pkr s LYS 248 Cb 0.08 -3.72 -0.09 0.00 -0.52 0.00 0.00 37.83 33.58 2pkr s LYS 248 CO 0.84 -0.50 0.80 1.63 -0.92 0.00 0.00 175.35 177.20 2pkr n LYS 249 N 5.69 0.89 -1.99 1.68 5.02 -1.26 -4.87 118.16 123.31 2pkr n LYS 249 Ca -0.04 0.33 -0.03 0.00 -2.02 0.00 0.00 58.31 56.56 2pkr n LYS 249 Cb 0.49 -1.90 0.01 0.00 -0.02 0.00 0.00 35.03 33.61 2pkr n LYS 249 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2pkr n THR 250 N -1.20 0.00 -4.02 -0.18 5.66 0.96 -5.01 114.28 110.49 2pkr n THR 250 Ca 0.11 -0.31 -0.08 0.00 -3.05 0.00 0.00 64.05 60.73 2pkr n THR 250 Cb 0.44 0.32 -0.09 0.00 -1.55 0.00 0.00 70.33 69.45 2pkr n THR 250 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2pkr s PHE 251 N -6.34 0.46 0.16 1.09 -0.71 -1.26 -4.60 117.98 106.78 2pkr s PHE 251 Ca 0.06 -0.92 -0.20 0.00 -1.04 0.00 0.00 56.93 54.83 2pkr s PHE 251 Cb -0.02 -0.27 0.07 0.00 -1.21 0.00 0.00 43.02 41.60 2pkr s PHE 251 CO 0.04 -0.50 1.63 0.00 -1.34 0.00 0.00 175.22 175.05 2pkr h ALA 252 N 2.90 0.02 -0.22 1.99 0.00 -1.89 -2.00 119.26 120.06 2pkr h ALA 252 Ca -0.34 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2pkr h ALA 252 Cb 1.18 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 2pkr h ALA 252 CO 0.60 -0.60 0.03 0.93 0.00 0.00 0.00 179.25 180.21 2pkr h GLU 253 N -0.17 0.31 -0.28 0.00 3.07 -1.95 -0.72 114.58 114.84 2pkr h GLU 253 Ca 0.18 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.97 2pkr h GLU 253 Cb 0.44 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 2pkr h GLU 253 CO -0.45 0.31 0.07 1.49 -1.40 0.00 0.00 179.01 179.03 2pkr h GLU 254 N 0.31 0.45 -0.09 2.33 4.81 -1.82 -0.91 114.58 119.66 2pkr h GLU 254 Ca 0.07 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2pkr h GLU 254 Cb 0.15 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2pkr h GLU 254 CO -0.00 0.54 -0.03 0.28 -0.73 0.00 0.00 179.01 179.07 2pkr h VAL 255 N 0.29 0.89 -0.75 0.32 2.07 -0.80 -0.01 116.25 118.26 2pkr h VAL 255 Ca 0.09 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.70 2pkr h VAL 255 Cb 0.29 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 2pkr h VAL 255 CO 0.00 0.00 0.40 0.78 0.02 0.00 0.00 177.57 178.77 2pkr h ASN 256 N -0.01 0.55 0.16 0.57 -0.26 -0.96 -2.04 115.58 113.58 2pkr h ASN 256 Ca 0.05 0.05 0.01 0.00 -0.56 0.00 0.00 56.30 55.85 2pkr h ASN 256 Cb 0.08 -0.05 -0.03 0.00 -1.06 0.00 0.00 38.32 37.27 2pkr h ASN 256 CO -0.10 0.31 -0.25 0.00 -1.06 0.00 0.00 177.43 176.34 2pkr h ALA 257 N 1.43 -0.44 -1.02 -0.83 0.00 -0.44 -0.59 119.26 117.37 2pkr h ALA 257 Ca 0.36 -0.05 0.25 0.00 0.00 0.00 0.00 54.91 55.47 2pkr h ALA 257 Cb 0.35 0.38 -0.11 0.00 0.00 0.00 0.00 17.79 18.42 2pkr h ALA 257 CO -0.25 -0.79 0.62 0.00 0.00 0.00 0.00 179.25 178.83 2pkr h ALA 258 N 0.25 1.94 -0.22 0.00 0.00 -0.33 -0.28 119.26 120.62 2pkr h ALA 258 Ca 0.02 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2pkr h ALA 258 Cb 0.48 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2pkr h ALA 258 CO -0.11 -0.38 -0.23 0.74 0.00 0.00 0.00 179.25 179.26 2pkr h PHE 259 N 0.53 0.67 -0.96 0.00 0.04 -0.78 -2.90 116.94 113.54 2pkr h PHE 259 Ca 0.62 -0.20 0.01 0.00 2.80 0.00 0.00 57.97 61.20 2pkr h PHE 259 Cb 1.29 -0.14 -0.05 0.00 2.20 0.00 0.00 35.95 39.25 2pkr h PHE 259 CO -0.00 0.90 0.64 0.00 -0.60 0.00 0.00 178.31 179.24 2pkr h ARG 260 N 0.24 1.27 -0.32 1.51 3.08 0.37 0.15 114.38 120.68 2pkr h ARG 260 Ca 0.03 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.03 2pkr h ARG 260 Cb 0.79 -0.29 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 2pkr h ARG 260 CO 0.06 0.84 0.15 0.93 -1.07 0.00 0.00 179.97 180.88 2pkr h GLU 261 N 1.31 0.31 -0.46 0.04 5.08 -1.05 -0.48 114.58 119.32 2pkr h GLU 261 Ca 0.35 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.55 2pkr h GLU 261 Cb -0.15 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 2pkr h GLU 261 CO -0.08 0.20 -0.26 0.77 -1.00 0.00 0.00 179.01 178.65 2pkr h SER 262 N 0.32 1.03 -0.84 1.42 0.02 -1.28 -2.74 113.55 111.48 2pkr h SER 262 Ca 0.13 -0.41 0.03 0.00 -0.84 0.00 0.00 61.79 60.70 2pkr h SER 262 Cb 0.05 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.26 2pkr h SER 262 CO -0.10 1.22 0.55 0.00 -1.14 0.00 0.00 176.83 177.36 2pkr h ALA 263 N 0.85 1.46 -0.00 3.77 0.00 0.03 0.13 119.26 125.49 2pkr h ALA 263 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2pkr h ALA 263 Cb 0.85 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2pkr h ALA 263 CO 0.08 0.47 -0.10 -0.25 0.00 0.00 0.00 179.25 179.44 2pkr n ASP 264 N -4.43 0.24 0.00 0.00 8.00 -0.26 -2.78 116.55 117.32 2pkr n ASP 264 Ca 0.10 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.45 2pkr n ASP 264 Cb 0.08 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 2pkr n ASP 264 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2pkr n ASN 265 N -1.24 0.00 0.28 -2.24 3.02 -0.43 -4.82 115.26 109.82 2pkr n ASN 265 Ca 0.11 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.82 2pkr n ASN 265 Cb 0.29 0.00 0.90 0.00 -0.61 0.00 0.00 39.78 40.36 2pkr n ASN 265 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2pkr h GLU 266 N 0.00 0.00 -0.32 3.52 9.09 -1.79 -2.56 114.58 122.53 2pkr h GLU 266 Ca 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 2pkr h GLU 266 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.08 2pkr h GLU 266 CO 0.00 0.00 0.01 1.28 0.05 0.00 0.00 179.01 180.35 2pkr n LEU 267 N -3.85 4.18 -4.71 3.06 4.77 0.31 -4.99 117.00 115.77 2pkr n LEU 267 Ca -0.02 -3.09 -0.43 0.00 -0.03 0.00 0.00 56.01 52.44 2pkr n LEU 267 Cb 0.13 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.62 2pkr n LEU 267 CO 0.27 0.73 1.25 1.17 -1.33 0.00 0.00 177.39 179.49 2pkr n LYS 268 N -0.46 2.56 -0.25 3.23 4.81 -0.97 -0.75 118.16 126.35 2pkr n LYS 268 Ca 0.24 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.60 2pkr n LYS 268 Cb 0.96 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 33.30 2pkr n LYS 268 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pkr n GLY 269 N 3.01 1.66 0.44 3.14 0.00 -1.26 -4.79 105.19 107.38 2pkr n GLY 269 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 2pkr n GLY 269 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2pkr n ILE 270 N -2.00 0.33 -4.92 -0.61 2.08 0.08 -4.31 119.36 110.01 2pkr n ILE 270 Ca 0.00 -0.10 -0.28 0.00 0.56 0.00 0.00 62.75 62.93 2pkr n ILE 270 Cb 0.00 -1.16 -0.15 0.00 -0.75 0.00 0.00 39.64 37.58 2pkr n ILE 270 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2pkr s LEU 271 N -5.85 2.10 0.07 1.39 2.96 -0.51 -0.05 118.68 118.80 2pkr s LEU 271 Ca -0.08 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.37 2pkr s LEU 271 Cb 0.03 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.57 2pkr s LEU 271 CO 0.12 0.23 -0.06 -0.44 -1.32 0.00 0.00 176.35 174.88 2pkr s SER 272 N -0.85 0.87 -0.12 3.68 0.01 -0.15 -4.61 113.70 112.52 2pkr s SER 272 Ca 0.09 -0.86 0.03 0.00 1.31 0.00 0.00 55.95 56.52 2pkr s SER 272 Cb -0.09 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.25 2pkr s SER 272 CO 0.00 -0.42 -0.22 -0.69 0.41 0.00 0.00 173.24 172.33 2pkr s VAL 273 N -2.98 2.16 -0.21 3.43 1.01 -1.26 -0.92 120.40 121.63 2pkr s VAL 273 Ca 0.04 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 2pkr s VAL 273 Cb 0.01 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 2pkr s VAL 273 CO -0.04 0.55 -0.05 0.00 0.00 0.00 0.00 175.10 175.56 2pkr n ASP 275 N 4.57 3.55 -4.85 0.00 8.00 -1.26 -2.37 116.55 124.19 2pkr n ASP 275 Ca -0.18 -1.99 -0.35 0.00 0.71 0.00 0.00 54.79 52.98 2pkr n ASP 275 Cb 0.51 -0.33 -0.06 0.00 -0.02 0.00 0.00 41.12 41.23 2pkr n ASP 275 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2pkr s GLU 276 N -1.35 3.91 -1.26 -1.24 2.02 -1.26 -4.86 118.70 114.66 2pkr s GLU 276 Ca 0.42 0.39 -0.17 0.00 0.02 0.00 0.00 54.97 55.63 2pkr s GLU 276 Cb 0.23 -2.90 -0.01 0.00 0.10 0.00 0.00 34.13 31.56 2pkr s GLU 276 CO 0.32 0.47 2.08 -0.35 0.02 0.00 0.00 175.26 177.80 2pkr n PRO 277 N 0.67 2.52 -2.71 0.39 -0.04 -1.26 -4.91 135.00 129.66 2pkr n PRO 277 Ca -0.05 -2.50 -0.21 0.00 -0.04 0.00 0.00 63.50 60.70 2pkr n PRO 277 Cb 0.52 -3.25 0.06 0.00 -0.04 0.00 0.00 33.50 30.79 2pkr n PRO 277 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2pkr s LEU 278 N 2.59 3.20 0.29 1.53 1.43 -1.26 -5.13 118.68 121.33 2pkr s LEU 278 Ca 0.51 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.38 2pkr s LEU 278 Cb 0.12 -2.41 -0.06 0.00 0.03 0.00 0.00 46.19 43.87 2pkr s LEU 278 CO -0.01 -1.35 0.01 0.68 0.23 0.00 0.00 176.35 175.91 2pkr s VAL 279 N -2.82 1.26 0.33 -1.59 -7.23 -1.26 -5.06 120.40 104.02 2pkr s VAL 279 Ca 0.60 -2.04 0.11 0.00 -1.81 0.00 0.00 61.98 58.85 2pkr s VAL 279 Cb -0.08 -2.58 0.33 0.00 0.56 0.00 0.00 36.38 34.60 2pkr s VAL 279 CO 0.40 -0.17 1.65 0.77 -0.31 0.00 0.00 175.10 177.44 2pkr h SER 280 N 2.26 0.33 0.12 4.85 4.64 -1.98 -0.89 113.55 122.87 2pkr h SER 280 Ca -0.40 0.20 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 2pkr h SER 280 Cb 1.24 0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 63.52 2pkr h SER 280 CO 0.68 -0.17 -0.11 -0.29 -0.87 0.00 0.00 176.83 176.06 2pkr h ILE 281 N 0.26 1.07 0.00 0.95 6.09 -1.97 -2.47 117.51 121.45 2pkr h ILE 281 Ca 0.69 -0.39 0.00 0.00 -1.37 0.00 0.00 64.86 63.79 2pkr h ILE 281 Cb 1.55 1.21 0.00 0.00 0.47 0.00 0.00 36.82 40.05 2pkr h ILE 281 CO -0.64 0.11 0.00 0.47 -3.07 0.00 0.00 178.15 175.02 2pkr n ASP 282 N -4.39 0.60 -1.26 2.19 8.00 -0.34 -2.47 116.55 118.88 2pkr n ASP 282 Ca -0.03 0.65 0.12 0.00 0.71 0.00 0.00 54.79 56.24 2pkr n ASP 282 Cb 0.19 -0.77 0.29 0.00 -0.02 0.00 0.00 41.12 40.80 2pkr n ASP 282 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2pkr n PHE 283 N -2.16 0.80 -2.11 1.24 3.72 -0.93 -4.95 117.46 113.07 2pkr n PHE 283 Ca 0.02 -0.40 -0.39 0.00 -0.05 0.00 0.00 57.45 56.63 2pkr n PHE 283 Cb 0.23 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.76 2pkr n PHE 283 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2pkr s ARG 284 N -1.20 4.07 -1.83 -1.08 0.52 -1.03 -3.09 118.95 115.32 2pkr s ARG 284 Ca 0.45 2.11 0.00 0.00 -0.52 0.00 0.00 55.73 57.77 2pkr s ARG 284 Cb 0.24 -2.81 0.00 0.00 0.52 0.00 0.00 34.95 32.90 2pkr s ARG 284 CO 0.32 -0.39 0.00 0.00 0.02 0.00 0.00 175.30 175.25 2pkr s THR 286 N -2.99 4.55 -0.24 0.00 -4.23 -1.18 -4.96 115.64 106.59 2pkr s THR 286 Ca 0.00 1.57 0.22 0.00 -1.18 0.00 0.00 61.69 62.30 2pkr s THR 286 Cb 0.00 -4.08 0.25 0.00 1.34 0.00 0.00 72.50 70.02 2pkr s THR 286 CO 0.00 0.49 1.62 0.44 -0.54 0.00 0.00 174.62 176.63 2pkr h ASP 287 N 4.74 0.00 -4.01 3.99 3.32 -1.93 -3.33 116.42 119.20 2pkr h ASP 287 Ca -0.47 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.10 2pkr h ASP 287 Cb 1.21 0.00 0.16 0.00 0.22 0.00 0.00 39.33 40.92 2pkr h ASP 287 CO 0.67 0.17 0.22 0.68 -1.72 0.00 0.00 179.24 179.26 2pkr s VAL 288 N -3.23 2.54 -0.02 -1.35 -7.23 -1.26 -4.79 120.40 105.06 2pkr s VAL 288 Ca 0.05 0.17 0.08 0.00 -1.81 0.00 0.00 61.98 60.48 2pkr s VAL 288 Cb 0.07 -2.52 -0.23 0.00 0.56 0.00 0.00 36.38 34.25 2pkr s VAL 288 CO 0.68 -0.23 0.75 0.28 -0.31 0.00 0.00 175.10 176.27 2pkr h SER 289 N -1.72 0.07 -3.74 4.85 0.02 -0.68 -3.42 113.55 108.93 2pkr h SER 289 Ca -0.50 -0.14 -0.17 0.00 -0.84 0.00 0.00 61.79 60.14 2pkr h SER 289 Cb 1.28 -0.02 -0.26 0.00 0.14 0.00 0.00 62.40 63.54 2pkr h SER 289 CO 0.52 1.12 -0.45 -0.55 -1.14 0.00 0.00 176.83 176.33 2pkr s SER 290 N -6.36 -0.25 -0.18 3.07 0.15 -0.75 -4.19 113.70 105.19 2pkr s SER 290 Ca -0.06 0.48 -0.00 0.00 0.70 0.00 0.00 55.95 57.07 2pkr s SER 290 Cb 0.08 0.46 0.05 0.00 -1.71 0.00 0.00 66.02 64.90 2pkr s SER 290 CO 0.82 -0.09 -0.05 -0.89 1.20 0.00 0.00 173.24 174.23 2pkr s THR 291 N 0.31 1.17 0.17 6.45 2.01 -0.40 -0.98 115.64 124.37 2pkr s THR 291 Ca -0.01 -0.76 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 2pkr s THR 291 Cb -0.03 -1.39 -0.08 0.00 0.01 0.00 0.00 72.50 71.02 2pkr s THR 291 CO -0.01 0.06 1.20 -0.63 -0.69 0.00 0.00 174.62 174.55 2pkr s ILE 292 N 1.59 3.63 -0.92 1.82 -1.09 -0.09 0.77 121.20 126.91 2pkr s ILE 292 Ca -0.01 1.34 -0.15 0.00 -2.23 0.00 0.00 60.65 59.60 2pkr s ILE 292 Cb -0.16 -3.86 0.19 0.00 -1.58 0.00 0.00 42.46 37.05 2pkr s ILE 292 CO -0.07 0.20 0.98 -0.62 -1.23 0.00 0.00 174.94 174.20 2pkr s ASP 293 N 0.24 6.80 0.28 3.58 -1.08 0.19 -0.38 116.67 126.30 2pkr s ASP 293 Ca 0.54 -2.58 0.01 0.00 -0.52 0.00 0.00 52.55 50.00 2pkr s ASP 293 Cb -0.32 -2.29 0.67 0.00 -1.46 0.00 0.00 42.92 39.52 2pkr s ASP 293 CO 0.36 -0.73 1.66 0.77 0.52 0.00 0.00 175.17 177.74 2pkr h SER 294 N 8.00 0.04 0.43 -0.34 4.64 -1.77 -1.51 113.55 123.04 2pkr h SER 294 Ca 0.15 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2pkr h SER 294 Cb 1.01 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2pkr h SER 294 CO 0.94 -0.12 0.00 -1.54 -0.87 0.00 0.00 176.83 175.24 2pkr n SER 295 N -5.20 0.12 -0.32 4.97 3.41 -1.26 -2.06 113.62 113.29 2pkr n SER 295 Ca 0.20 0.54 0.11 0.00 -0.26 0.00 0.00 58.87 59.46 2pkr n SER 295 Cb 0.65 -0.56 0.07 0.00 -0.26 0.00 0.00 64.21 64.10 2pkr n SER 295 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2pkr n LEU 296 N -1.64 1.54 -4.76 1.04 4.77 -0.57 -4.95 117.00 112.43 2pkr n LEU 296 Ca 0.03 -0.56 -0.41 0.00 -0.03 0.00 0.00 56.01 55.03 2pkr n LEU 296 Cb 0.15 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 2pkr n LEU 296 CO 0.12 0.30 1.12 -0.89 -1.33 0.00 0.00 177.39 176.71 2pkr s THR 297 N -2.62 2.43 0.06 -5.08 2.01 -0.87 -4.73 115.64 106.84 2pkr s THR 297 Ca 0.17 0.38 0.01 0.00 0.31 0.00 0.00 61.69 62.56 2pkr s THR 297 Cb 0.18 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.41 2pkr s THR 297 CO 0.63 0.07 -0.05 -0.04 -0.69 0.00 0.00 174.62 174.54 2pkr s MET 298 N -0.95 0.61 -0.04 4.92 -1.94 -0.78 -4.87 119.30 116.25 2pkr s MET 298 Ca 0.57 -1.05 -0.01 0.00 -1.71 0.00 0.00 55.69 53.49 2pkr s MET 298 Cb -0.44 -0.04 0.03 0.00 2.01 0.00 0.00 34.83 36.39 2pkr s MET 298 CO 0.49 -0.04 0.04 0.08 -0.01 0.00 0.00 175.02 175.59 2pkr s VAL 299 N -2.84 -0.04 -0.04 -6.03 1.01 -1.26 -0.67 120.40 110.54 2pkr s VAL 299 Ca 0.01 0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.34 2pkr s VAL 299 Cb 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 2pkr s VAL 299 CO -0.05 0.17 -0.08 -0.04 0.00 0.00 0.00 175.10 175.10 2pkr s MET 300 N 1.85 2.63 -1.33 2.72 -1.94 0.37 -4.59 119.30 119.02 2pkr s MET 300 Ca 0.01 -0.63 -0.04 0.00 -1.71 0.00 0.00 55.69 53.32 2pkr s MET 300 Cb -0.12 -2.52 0.02 0.00 2.01 0.00 0.00 34.83 34.22 2pkr s MET 300 CO -0.03 0.64 0.27 0.41 -0.01 0.00 0.00 175.02 176.29 2pkr n GLY 301 N 2.04 -0.50 5.00 -0.03 0.00 -1.26 -1.50 105.19 108.93 2pkr n GLY 301 Ca -0.17 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2pkr n GLY 301 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pkr n ASP 302 N -2.12 0.00 0.00 1.61 8.00 -1.26 -4.40 116.55 118.38 2pkr n ASP 302 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 2pkr n ASP 302 Cb 0.61 -0.91 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 2pkr n ASP 302 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2pkr n ASP 303 N 0.00 0.52 -4.27 -2.24 5.68 -1.18 -0.03 116.55 115.04 2pkr n ASP 303 Ca 0.00 -1.03 -0.42 0.00 -0.50 0.00 0.00 54.79 52.84 2pkr n ASP 303 Cb 0.00 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 39.90 2pkr n ASP 303 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 2pkr s MET 304 N -0.03 2.68 -0.17 0.11 1.75 -0.56 -1.06 119.30 122.02 2pkr s MET 304 Ca 0.00 -1.65 -0.13 0.00 -1.25 0.00 0.00 55.69 52.66 2pkr s MET 304 Cb 0.00 -4.02 -0.05 0.00 2.84 0.00 0.00 34.83 33.61 2pkr s MET 304 CO 0.00 -1.17 0.26 0.08 -0.65 0.00 0.00 175.02 173.54 2pkr s VAL 305 N 1.46 5.33 -0.19 10.11 1.01 0.66 -0.48 120.40 138.30 2pkr s VAL 305 Ca 0.04 0.47 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 2pkr s VAL 305 Cb -0.26 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2pkr s VAL 305 CO 0.02 0.39 -0.12 -0.75 0.00 0.00 0.00 175.10 174.64 2pkr s LYS 306 N 0.49 3.20 -0.05 2.72 2.20 0.16 -0.99 119.74 127.47 2pkr s LYS 306 Ca 0.14 -0.73 0.06 0.00 -0.36 0.00 0.00 55.97 55.09 2pkr s LYS 306 Cb -0.13 -2.77 -0.01 0.00 -1.51 0.00 0.00 37.83 33.41 2pkr s LYS 306 CO 0.03 -0.17 -0.22 0.08 -0.36 0.00 0.00 175.35 174.70 2pkr s VAL 307 N 1.30 1.84 -0.23 4.02 1.01 0.89 -1.86 120.40 127.36 2pkr s VAL 307 Ca 0.04 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 2pkr s VAL 307 Cb -0.14 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 2pkr s VAL 307 CO -0.07 0.52 -0.02 -0.63 0.00 0.00 0.00 175.10 174.90 2pkr s ILE 308 N -0.15 3.55 -0.04 2.22 -1.09 -1.26 -1.48 121.20 122.94 2pkr s ILE 308 Ca -0.02 -0.48 0.04 0.00 -2.23 0.00 0.00 60.65 57.96 2pkr s ILE 308 Cb -0.12 -2.65 -0.00 0.00 -1.58 0.00 0.00 42.46 38.10 2pkr s ILE 308 CO 0.03 0.37 -0.17 0.00 -1.23 0.00 0.00 174.94 173.94 2pkr s ALA 309 N 1.50 1.50 0.30 9.38 0.00 -0.65 -0.64 121.76 133.16 2pkr s ALA 309 Ca 0.05 -0.68 -0.03 0.00 0.00 0.00 0.00 51.96 51.31 2pkr s ALA 309 Cb -0.15 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 2pkr s ALA 309 CO -0.02 0.27 0.54 -1.58 0.00 0.00 0.00 175.76 174.98 2pkr s TRP 310 N 0.04 3.49 -0.28 0.00 0.52 0.23 -1.11 118.94 121.83 2pkr s TRP 310 Ca -0.04 0.51 -0.18 0.00 0.02 0.00 0.00 56.10 56.41 2pkr s TRP 310 Cb -0.11 -2.01 0.10 0.00 -1.15 0.00 0.00 33.47 30.30 2pkr s TRP 310 CO 0.02 0.16 0.82 1.52 0.02 0.00 0.00 176.95 179.50 2pkr s TYR 311 N -2.16 -0.80 -0.89 -1.98 1.13 -0.03 -1.28 117.35 111.34 2pkr s TYR 311 Ca 0.42 1.68 -0.25 0.00 -1.41 0.00 0.00 57.07 57.51 2pkr s TYR 311 Cb -0.10 0.46 0.04 0.00 -1.10 0.00 0.00 41.96 41.26 2pkr s TYR 311 CO 0.33 -0.39 1.37 0.34 -2.51 0.00 0.00 175.55 174.68 2pkr s ASP 312 N 1.18 6.35 0.65 -0.18 -1.08 -1.26 -0.44 116.67 121.88 2pkr s ASP 312 Ca -0.07 -1.00 0.31 0.00 -0.52 0.00 0.00 52.55 51.28 2pkr s ASP 312 Cb -0.05 -2.56 1.68 0.00 -1.46 0.00 0.00 42.92 40.53 2pkr s ASP 312 CO -0.14 -1.66 1.98 -0.55 0.52 0.00 0.00 175.17 175.32 2pkr h ASN 313 N 9.90 0.00 0.00 -0.34 -1.07 -1.91 -0.57 115.58 121.59 2pkr h ASN 313 Ca -0.02 0.00 -0.05 0.00 0.07 0.00 0.00 56.30 56.30 2pkr h ASN 313 Cb 1.03 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.27 2pkr h ASN 313 CO 1.36 0.00 -0.92 -0.62 0.07 0.00 0.00 177.43 177.32 2pkr n GLU 314 N -3.14 0.50 -0.03 4.14 1.02 -1.26 -4.20 120.64 117.67 2pkr n GLU 314 Ca 0.00 0.37 -0.13 0.00 -0.02 0.00 0.00 57.16 57.38 2pkr n GLU 314 Cb 0.39 -1.56 -0.10 0.00 -0.02 0.00 0.00 31.44 30.15 2pkr n GLU 314 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 2pkr h TRP 315 N -1.00 0.03 -0.30 -0.32 2.91 -1.91 -1.51 115.95 113.86 2pkr h TRP 315 Ca -0.07 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 59.97 2pkr h TRP 315 Cb 0.86 -0.01 -0.04 0.00 -0.51 0.00 0.00 29.16 29.47 2pkr h TRP 315 CO -0.29 0.61 0.08 0.78 -1.03 0.00 0.00 178.44 178.59 2pkr h GLY 316 N -0.55 0.36 0.97 2.65 0.00 -1.22 -1.50 103.07 103.79 2pkr h GLY 316 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 2pkr h GLY 316 CO 0.00 0.01 0.04 -1.82 0.00 0.00 0.00 176.54 174.77 2pkr h TYR 317 N 0.20 0.08 -0.58 5.60 3.20 -1.62 -2.43 116.97 121.43 2pkr h TYR 317 Ca 0.14 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.09 2pkr h TYR 317 Cb 0.13 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 2pkr h TYR 317 CO -0.15 0.08 0.39 0.77 -1.64 0.00 0.00 178.16 177.60 2pkr h SER 318 N 0.05 0.38 -0.60 -2.11 0.02 -0.83 0.13 113.55 110.59 2pkr h SER 318 Ca 0.02 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 2pkr h SER 318 Cb 0.02 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 2pkr h SER 318 CO -0.00 0.24 0.22 1.56 -1.14 0.00 0.00 176.83 177.70 2pkr h GLN 319 N 0.43 0.95 -0.44 3.45 1.08 -0.81 -0.90 115.11 118.87 2pkr h GLN 319 Ca 0.26 -0.17 -0.11 0.00 -1.45 0.00 0.00 58.65 57.18 2pkr h GLN 319 Cb 0.47 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 2pkr h GLN 319 CO -0.07 0.80 -0.18 0.00 -0.95 0.00 0.00 178.83 178.43 2pkr h ARG 320 N 0.92 0.84 -0.80 1.46 2.47 -0.48 -0.06 114.38 118.73 2pkr h ARG 320 Ca 0.21 -0.32 -0.01 0.00 -1.26 0.00 0.00 59.98 58.60 2pkr h ARG 320 Cb 0.23 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.47 2pkr h ARG 320 CO -0.01 0.95 0.47 0.28 0.56 0.00 0.00 179.97 182.22 2pkr h VAL 321 N 0.74 1.23 -0.41 2.04 2.07 -0.37 0.10 116.25 121.65 2pkr h VAL 321 Ca 0.11 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2pkr h VAL 321 Cb 0.70 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2pkr h VAL 321 CO 0.05 0.24 0.19 0.58 0.02 0.00 0.00 177.57 178.66 2pkr h VAL 322 N 1.11 1.18 -0.68 2.57 2.07 -0.79 -0.63 116.25 121.08 2pkr h VAL 322 Ca 0.29 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.31 2pkr h VAL 322 Cb -0.02 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 2pkr h VAL 322 CO -0.05 0.20 0.40 0.44 0.02 0.00 0.00 177.57 178.58 2pkr h ASP 323 N 0.53 0.63 -0.40 0.57 3.32 -0.18 0.20 116.42 121.09 2pkr h ASP 323 Ca 0.14 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.08 2pkr h ASP 323 Cb 0.14 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2pkr h ASP 323 CO -0.02 0.43 -0.22 0.25 -1.72 0.00 0.00 179.24 177.96 2pkr h LEU 324 N 0.77 0.92 -0.43 1.55 5.85 -0.65 -2.24 115.31 121.07 2pkr h LEU 324 Ca 0.29 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 2pkr h LEU 324 Cb 0.10 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 2pkr h LEU 324 CO -0.14 1.10 0.25 0.00 -0.34 0.00 0.00 178.44 179.31 2pkr h ALA 325 N 0.97 0.55 -0.87 1.25 0.00 -0.08 -0.88 119.26 120.22 2pkr h ALA 325 Ca 0.10 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.02 2pkr h ALA 325 Cb 0.76 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 2pkr h ALA 325 CO 0.06 0.06 0.56 -0.44 0.00 0.00 0.00 179.25 179.49 2pkr h ASP 326 N 0.57 0.83 -0.51 0.00 3.32 -0.47 -0.91 116.42 119.24 2pkr h ASP 326 Ca 0.15 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 2pkr h ASP 326 Cb 0.02 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 2pkr h ASP 326 CO -0.03 0.53 0.04 0.40 -1.72 0.00 0.00 179.24 178.46 2pkr h ILE 327 N 0.94 1.26 -0.51 0.35 2.04 -0.64 0.17 117.51 121.12 2pkr h ILE 327 Ca 0.38 -1.01 0.06 0.00 1.00 0.00 0.00 64.86 65.28 2pkr h ILE 327 Cb 0.26 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 2pkr h ILE 327 CO -0.14 0.36 0.23 0.58 0.00 0.00 0.00 178.15 179.17 2pkr h VAL 328 N 0.75 0.90 -0.69 1.67 2.07 0.06 -0.94 116.25 120.08 2pkr h VAL 328 Ca 0.15 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 2pkr h VAL 328 Cb 0.46 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2pkr h VAL 328 CO 0.02 0.08 0.17 0.00 0.02 0.00 0.00 177.57 177.85 2pkr h ALA 329 N 1.30 0.99 0.00 1.67 0.00 -0.80 -2.27 119.26 120.16 2pkr h ALA 329 Ca 0.23 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2pkr h ALA 329 Cb 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2pkr h ALA 329 CO -0.20 0.65 -0.28 -0.91 0.00 0.00 0.00 179.25 178.51 2pkr h ASN 330 N 1.04 0.00 -0.54 0.00 -0.26 -0.18 -2.95 115.58 112.69 2pkr h ASN 330 Ca 0.22 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.96 2pkr h ASN 330 Cb 0.36 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 2pkr h ASN 330 CO 0.00 0.28 0.00 0.29 -1.06 0.00 0.00 177.43 176.94 2pkr n LYS 331 N -3.53 2.98 -1.86 0.81 4.76 -0.43 -5.01 118.16 115.88 2pkr n LYS 331 Ca -0.00 -2.48 -0.41 0.00 -2.87 0.00 0.00 58.31 52.54 2pkr n LYS 331 Cb 0.43 -1.53 -0.02 0.00 -1.84 0.00 0.00 35.03 32.08 2pkr n LYS 331 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 2pkr s TRP 332 N -1.26 2.82 -1.00 2.13 -0.11 -0.87 -4.53 118.94 116.12 2pkr s TRP 332 Ca 0.39 0.91 0.08 0.00 1.22 0.00 0.00 56.10 58.70 2pkr s TRP 332 Cb 0.22 -3.98 0.06 0.00 -1.50 0.00 0.00 33.47 28.28 2pkr s TRP 332 CO 0.24 -3.21 0.75 1.04 -4.62 0.00 0.00 176.95 171.15