#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pkr n LEU 1 N 0.00 0.00 -4.55 -5.58 7.94 -1.25 -4.62 117.00 108.95 2pkr n LEU 1 Ca 0.00 0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 54.54 2pkr n LEU 1 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 2pkr n LEU 1 CO 0.00 0.00 1.54 -0.54 -1.11 0.00 0.00 177.39 177.28 2pkr s LYS 2 N 0.00 2.63 -0.03 1.96 1.02 -1.25 -0.06 119.74 124.00 2pkr s LYS 2 Ca 0.00 0.38 -0.08 0.00 0.02 0.00 0.00 55.97 56.29 2pkr s LYS 2 Cb 0.00 -4.53 -0.05 0.00 -0.52 0.00 0.00 37.83 32.73 2pkr s LYS 2 CO 0.00 -2.85 0.25 0.08 -0.92 0.00 0.00 175.35 171.90 2pkr s VAL 3 N 9.18 5.33 -0.03 3.17 1.01 -0.13 0.03 120.40 138.97 2pkr s VAL 3 Ca 0.67 0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.96 2pkr s VAL 3 Cb -0.11 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 2pkr s VAL 3 CO 0.16 0.48 -0.16 0.00 0.00 0.00 0.00 175.10 175.57 2pkr s ALA 4 N -1.18 1.40 -0.28 5.51 0.00 -0.54 -1.28 121.76 125.38 2pkr s ALA 4 Ca 0.23 -0.65 -0.08 0.00 0.00 0.00 0.00 51.96 51.46 2pkr s ALA 4 Cb -0.13 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 2pkr s ALA 4 CO 0.12 0.27 0.11 0.42 0.00 0.00 0.00 175.76 176.68 2pkr s ILE 5 N -0.04 4.46 -0.34 0.00 1.01 -0.81 -0.05 121.20 125.43 2pkr s ILE 5 Ca -0.01 -0.29 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 2pkr s ILE 5 Cb -0.10 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.19 2pkr s ILE 5 CO 0.01 0.21 0.20 0.21 0.00 0.00 0.00 174.94 175.57 2pkr s ASN 6 N 1.61 5.79 0.00 3.58 2.47 -0.56 -1.06 114.94 126.79 2pkr s ASN 6 Ca 0.05 -0.56 0.00 0.00 0.42 0.00 0.00 52.86 52.77 2pkr s ASN 6 Cb -0.16 -2.06 0.00 0.00 -1.45 0.00 0.00 41.25 37.57 2pkr s ASN 6 CO 0.05 -0.25 0.00 0.61 -3.72 0.00 0.00 177.10 173.79 2pkr n GLY 7 N 5.04 -0.25 2.49 1.21 0.00 -1.00 -0.56 105.19 112.13 2pkr n GLY 7 Ca -0.13 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 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 0.59 1.67 -0.91 1.61 7.35 -1.25 -4.06 117.46 122.46 2pkr n PHE 8 Ca 0.00 -1.97 0.00 0.00 -0.76 0.00 0.00 57.45 54.72 2pkr n PHE 8 Cb 0.00 -1.36 0.00 0.00 0.35 0.00 0.00 39.48 38.47 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 0.77 0.50 0.31 7.13 0.00 -1.26 -4.40 105.19 108.24 2pkr n GLY 9 Ca 0.49 -1.82 -0.06 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.19 -0.22 1.61 2.47 -1.92 0.70 114.38 116.82 2pkr h ARG 10 Ca 0.00 0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.68 2pkr h ARG 10 Cb 0.00 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 2pkr h ARG 10 CO 0.00 -0.13 -0.05 0.82 0.56 0.00 0.00 179.97 181.17 2pkr h ILE 11 N -0.20 1.29 -0.66 2.04 1.08 -1.91 0.14 117.51 119.28 2pkr h ILE 11 Ca 0.19 -1.05 0.08 0.00 -0.39 0.00 0.00 64.86 63.70 2pkr h ILE 11 Cb 0.51 1.52 -0.07 0.00 -3.07 0.00 0.00 36.82 35.72 2pkr h ILE 11 CO -0.55 0.32 0.32 1.23 -0.69 0.00 0.00 178.15 178.78 2pkr h GLY 12 N 0.16 0.96 1.31 5.37 0.00 -1.52 0.56 103.07 109.91 2pkr h GLY 12 Ca 0.06 -0.20 -0.25 0.00 0.00 0.00 0.00 47.33 46.94 2pkr h GLY 12 CO 0.02 0.06 -0.99 3.21 0.00 0.00 0.00 176.54 178.84 2pkr h ARG 13 N 0.56 0.63 -0.63 4.80 3.08 0.48 -2.40 114.38 120.89 2pkr h ARG 13 Ca 0.32 -0.65 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 2pkr h ARG 13 Cb 0.32 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 2pkr h ARG 13 CO -0.25 1.25 0.37 -0.91 -1.07 0.00 0.00 179.97 179.36 2pkr h ASN 14 N 0.36 0.77 -0.00 7.04 2.35 -0.63 -1.09 115.58 124.38 2pkr h ASN 14 Ca -0.11 -0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.60 2pkr h ASN 14 Cb 1.63 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.77 2pkr h ASN 14 CO 0.19 0.61 -0.17 0.15 -1.65 0.00 0.00 177.43 176.56 2pkr h PHE 15 N 0.86 -0.43 -0.42 1.19 3.57 0.20 0.40 116.94 122.30 2pkr h PHE 15 Ca 0.23 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.80 2pkr h PHE 15 Cb -0.00 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 2pkr h PHE 15 CO -0.02 -0.24 0.13 1.25 -2.23 0.00 0.00 178.31 177.20 2pkr h LEU 16 N -0.27 0.10 -1.02 0.59 6.46 -1.13 0.21 115.31 120.25 2pkr h LEU 16 Ca 0.05 0.06 -0.08 0.00 -0.12 0.00 0.00 57.88 57.79 2pkr h LEU 16 Cb 0.34 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 2pkr h LEU 16 CO -0.16 0.09 -0.13 0.03 -0.62 0.00 0.00 178.44 177.65 2pkr h ARG 17 N 0.28 0.56 0.01 1.25 3.08 -0.54 0.20 114.38 119.22 2pkr h ARG 17 Ca 0.20 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2pkr h ARG 17 Cb 0.21 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2pkr h ARG 17 CO -0.22 0.68 -0.01 0.00 -1.07 0.00 0.00 179.97 179.34 2pkr h TRP 18 N -0.29 0.93 0.00 0.00 7.01 -0.12 -0.99 115.95 122.48 2pkr h TRP 18 Ca -0.00 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.02 2pkr h TRP 18 Cb 0.28 -0.29 -0.00 0.00 -2.10 0.00 0.00 29.16 27.05 2pkr h TRP 18 CO 0.02 0.44 -0.02 1.25 -2.79 0.00 0.00 178.44 177.34 2pkr h HIS 18 N 0.90 0.00 0.00 2.65 2.76 -0.46 -1.77 115.15 119.23 2pkr h HIS 18 Ca 0.37 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 2pkr h HIS 18 Cb 0.22 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.18 2pkr h HIS 18 CO -0.04 0.02 -0.06 0.41 -1.30 0.00 0.00 177.93 176.96 2pkr n GLY 19 N -1.43 -1.57 3.82 5.26 0.00 -0.39 -4.88 105.19 106.01 2pkr n GLY 19 Ca -0.03 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.05 3.77 -0.05 1.61 1.81 -0.67 -5.06 118.95 117.31 2pkr s ARG 20 Ca 0.12 1.11 -0.01 0.00 -1.72 0.00 0.00 55.73 55.24 2pkr s ARG 20 Cb 0.16 -2.10 -0.04 0.00 -0.45 0.00 0.00 34.95 32.52 2pkr s ARG 20 CO 0.58 -0.43 0.03 0.15 -0.68 0.00 0.00 175.30 174.94 2pkr s LYS 21 N -3.83 2.99 -1.17 3.54 -0.14 -1.26 -4.60 119.74 115.26 2pkr s LYS 21 Ca 0.62 -0.46 -0.27 0.00 -1.36 0.00 0.00 55.97 54.50 2pkr s LYS 21 Cb -0.13 -2.81 0.01 0.00 -1.68 0.00 0.00 37.83 33.23 2pkr s LYS 21 CO 0.29 0.67 0.75 -0.25 -0.76 0.00 0.00 175.35 176.06 2pkr n ASP 22 N 1.69 -4.86 -4.74 2.83 8.00 -1.26 -4.92 116.55 113.30 2pkr n ASP 22 Ca -0.16 -1.14 -0.41 0.00 0.71 0.00 0.00 54.79 53.79 2pkr n ASP 22 Cb 0.53 -2.67 -0.05 0.00 -0.02 0.00 0.00 41.12 38.91 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 -3.49 7.49 0.00 -2.24 0.15 -1.26 -4.92 113.70 109.44 2pkr s SER 23 Ca 0.49 1.78 0.23 0.00 0.70 0.00 0.00 55.95 59.14 2pkr s SER 23 Cb -0.21 -2.57 1.35 0.00 -1.71 0.00 0.00 66.02 62.87 2pkr s SER 23 CO 0.91 0.01 1.85 -0.81 1.20 0.00 0.00 173.24 176.39 2pkr n PRO 24 N 2.45 0.97 -4.21 5.44 -0.04 -1.26 -4.79 135.00 133.55 2pkr n PRO 24 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 2pkr n PRO 24 Cb 0.49 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.73 3.71 -0.26 1.53 1.43 -1.26 -3.77 118.68 118.33 2pkr s LEU 25 Ca 0.34 0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.52 2pkr s LEU 25 Cb 0.16 -2.10 0.08 0.00 0.03 0.00 0.00 46.19 44.36 2pkr s LEU 25 CO 0.26 0.29 0.05 -0.62 0.23 0.00 0.00 176.35 176.57 2pkr s ASP 26 N -1.53 3.67 -0.44 2.29 2.15 0.91 -4.90 116.67 118.82 2pkr s ASP 26 Ca 0.20 -1.32 -0.27 0.00 0.43 0.00 0.00 52.55 51.59 2pkr s ASP 26 Cb -0.12 -0.84 0.02 0.00 -0.30 0.00 0.00 42.92 41.68 2pkr s ASP 26 CO 0.11 -0.35 1.02 -0.69 -0.17 0.00 0.00 175.17 175.08 2pkr s VAL 27 N 1.65 4.40 -0.17 1.11 1.01 -1.26 -0.95 120.40 126.18 2pkr s VAL 27 Ca 0.04 1.09 0.14 0.00 0.00 0.00 0.00 61.98 63.25 2pkr s VAL 27 Cb -0.17 -4.48 -0.21 0.00 0.00 0.00 0.00 36.38 31.52 2pkr s VAL 27 CO -0.17 -0.81 0.38 1.33 0.00 0.00 0.00 175.10 175.83 2pkr n VAL 28 N 6.45 0.00 -3.74 2.92 0.24 -0.40 -4.86 118.33 118.93 2pkr n VAL 28 Ca 0.09 -0.29 -0.11 0.00 -2.04 0.00 0.00 64.34 61.99 2pkr n VAL 28 Cb 0.48 0.37 -0.07 0.00 -1.47 0.00 0.00 33.84 33.16 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 -2.83 0.09 -0.03 3.34 0.11 -1.24 -1.39 120.40 118.45 2pkr s VAL 29 Ca -0.03 -0.73 0.00 0.00 -2.93 0.00 0.00 61.98 58.30 2pkr s VAL 29 Cb 0.09 -1.04 0.03 0.00 -1.53 0.00 0.00 36.38 33.93 2pkr s VAL 29 CO 0.59 -0.40 0.01 -0.63 -3.33 0.00 0.00 175.10 171.34 2pkr s ILE 30 N -2.96 0.08 -0.59 7.04 1.01 0.49 -1.92 121.20 124.35 2pkr s ILE 30 Ca -0.02 0.15 -0.19 0.00 0.00 0.00 0.00 60.65 60.59 2pkr s ILE 30 Cb 0.01 -0.20 0.10 0.00 0.01 0.00 0.00 42.46 42.37 2pkr s ILE 30 CO -0.06 0.13 0.72 0.21 0.00 0.00 0.00 174.94 175.94 2pkr s ASN 31 N 1.11 6.19 -0.30 3.58 2.47 -0.22 -0.79 114.94 126.98 2pkr s ASN 31 Ca -0.09 -1.35 0.02 0.00 0.42 0.00 0.00 52.86 51.87 2pkr s ASN 31 Cb -0.13 -2.31 0.07 0.00 -1.45 0.00 0.00 41.25 37.43 2pkr s ASN 31 CO -0.02 -1.12 -0.03 -0.62 -3.72 0.00 0.00 177.10 171.59 2pkr s ASP 32 N 3.54 4.65 0.38 -4.21 -1.08 0.11 -2.37 116.67 117.69 2pkr s ASP 32 Ca 0.13 -1.66 0.26 0.00 -0.52 0.00 0.00 52.55 50.76 2pkr s ASP 32 Cb -0.23 -1.61 1.36 0.00 -1.46 0.00 0.00 42.92 40.98 2pkr s ASP 32 CO 0.07 -0.28 1.80 0.71 0.52 0.00 0.00 175.17 177.99 2pkr h THR 33 N 6.66 0.00 0.00 1.71 1.35 -1.92 -2.02 112.91 118.69 2pkr h THR 33 Ca -0.14 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 2pkr h THR 33 Cb 1.04 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 2pkr h THR 33 CO 0.50 0.00 -0.16 0.61 -0.25 0.00 0.00 175.52 176.22 2pkr n GLY 34 N -1.02 -1.52 0.00 5.82 0.00 -1.26 -4.96 105.19 102.25 2pkr n GLY 34 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2pkr n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pkr n GLY 36 N 1.41 1.60 0.08 -0.02 0.00 -0.76 -4.48 105.19 103.02 2pkr n GLY 36 Ca 0.06 -1.99 -0.12 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.46 1.61 2.07 -1.89 -1.19 116.25 117.61 2pkr h VAL 37 Ca 0.00 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 66.87 2pkr h VAL 37 Cb 0.00 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 2pkr h VAL 37 CO 0.00 0.19 0.24 0.11 0.02 0.00 0.00 177.57 178.14 2pkr h LYS 38 N -0.11 0.47 -0.20 1.57 1.79 -1.94 -0.52 116.57 117.63 2pkr h LYS 38 Ca 0.02 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2pkr h LYS 38 Cb 0.29 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 2pkr h LYS 38 CO 0.00 0.31 0.11 0.37 -1.08 0.00 0.00 179.45 179.16 2pkr h GLN 39 N 0.48 0.28 -0.13 3.15 4.15 -1.77 -0.16 115.11 121.12 2pkr h GLN 39 Ca 0.20 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.61 2pkr h GLN 39 Cb 0.09 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 2pkr h GLN 39 CO -0.13 0.26 0.00 0.00 -1.93 0.00 0.00 178.83 177.04 2pkr h ALA 40 N 1.00 0.11 -0.42 3.38 0.00 -0.85 0.40 119.26 122.89 2pkr h ALA 40 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2pkr h ALA 40 Cb 0.06 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2pkr h ALA 40 CO -0.01 -0.45 0.27 1.03 0.00 0.00 0.00 179.25 180.09 2pkr h SER 41 N 0.05 0.49 0.24 0.00 0.87 -0.80 -2.36 113.55 112.04 2pkr h SER 41 Ca 0.06 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2pkr h SER 41 Cb 0.07 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2pkr h SER 41 CO -0.10 0.38 -0.12 -0.74 -0.53 0.00 0.00 176.83 175.72 2pkr h HIS 42 N 0.56 -0.30 0.00 2.24 6.17 -0.64 -2.00 115.15 121.17 2pkr h HIS 42 Ca 0.15 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.22 2pkr h HIS 42 Cb -0.04 0.10 0.00 0.00 2.52 0.00 0.00 27.41 29.99 2pkr h HIS 42 CO -0.04 -0.12 0.00 -0.07 0.71 0.00 0.00 177.93 178.41 2pkr h LEU 43 N -0.43 0.00 0.16 0.26 3.38 -0.92 0.22 115.31 117.99 2pkr h LEU 43 Ca -0.03 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.63 2pkr h LEU 43 Cb 0.32 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.09 2pkr h LEU 43 CO 0.06 0.00 -1.43 0.25 0.09 0.00 0.00 178.44 177.41 2pkr h LEU 44 N 0.00 0.54 0.05 1.67 5.85 -1.26 -3.36 115.31 118.80 2pkr h LEU 44 Ca 0.00 -0.63 -0.00 0.00 0.84 0.00 0.00 57.88 58.08 2pkr h LEU 44 Cb 0.41 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2pkr h LEU 44 CO 0.00 1.51 -0.03 0.50 -0.34 0.00 0.00 178.44 180.08 2pkr h LYS 45 N 0.09 -0.07 -5.16 1.25 1.63 -0.75 -3.41 116.57 110.16 2pkr h LYS 45 Ca -0.21 0.00 -0.63 0.00 -0.85 0.00 0.00 60.65 58.97 2pkr h LYS 45 Cb 2.05 0.02 -0.18 0.00 -0.60 0.00 0.00 32.23 33.52 2pkr h LYS 45 CO 0.21 0.54 -0.57 0.71 -3.45 0.00 0.00 179.45 176.88 2pkr s TYR 46 N -3.19 3.21 -0.05 1.91 2.02 0.01 -0.22 117.35 121.05 2pkr s TYR 46 Ca -0.15 -0.04 -0.01 0.00 -0.37 0.00 0.00 57.07 56.50 2pkr s TYR 46 Cb -0.00 -2.15 0.03 0.00 -0.40 0.00 0.00 41.96 39.43 2pkr s TYR 46 CO 0.58 -0.00 0.02 0.34 -1.57 0.00 0.00 175.55 174.92 2pkr s ASP 47 N 0.83 1.00 0.35 2.29 -1.08 -1.21 -4.50 116.67 114.35 2pkr s ASP 47 Ca 0.04 -0.01 0.25 0.00 -0.52 0.00 0.00 52.55 52.32 2pkr s ASP 47 Cb -0.13 -0.26 1.23 0.00 -1.46 0.00 0.00 42.92 42.30 2pkr s ASP 47 CO 0.02 -0.18 1.77 0.28 0.52 0.00 0.00 175.17 177.59 2pkr h SER 48 N 7.96 0.00 0.00 -0.34 0.02 -1.94 1.00 113.55 120.25 2pkr h SER 48 Ca -0.26 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.47 2pkr h SER 48 Cb 1.13 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.63 2pkr h SER 48 CO 0.31 0.00 -1.81 -0.38 -1.14 0.00 0.00 176.83 173.81 2pkr n ILE 49 N -2.39 0.81 0.69 3.27 5.41 -1.26 -4.70 119.36 121.19 2pkr n ILE 49 Ca -0.00 -0.27 0.12 0.00 1.00 0.00 0.00 62.75 63.60 2pkr n ILE 49 Cb 0.13 -1.25 0.18 0.00 -0.71 0.00 0.00 39.64 37.99 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 -3.18 0.62 0.00 1.39 4.77 -1.22 -5.05 117.00 114.34 2pkr n LEU 50 Ca -0.26 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2pkr n LEU 50 Cb 0.74 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2pkr n LEU 50 CO 0.10 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 2pkr n GLY 51 N 1.39 -0.70 3.69 -0.72 0.00 0.34 -4.84 105.19 104.35 2pkr n GLY 51 Ca 0.04 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.27 3.38 0.12 2.61 2.01 -1.26 -3.33 115.64 117.90 2pkr s THR 52 Ca 0.00 0.85 -0.31 0.00 0.31 0.00 0.00 61.69 62.54 2pkr s THR 52 Cb 0.00 -3.54 -0.10 0.00 0.01 0.00 0.00 72.50 68.86 2pkr s THR 52 CO 0.00 0.01 1.85 0.12 -0.69 0.00 0.00 174.62 175.91 2pkr s PHE 53 N 2.19 2.09 -1.41 4.92 5.36 0.70 -4.89 117.98 126.93 2pkr s PHE 53 Ca 0.67 -0.06 -0.13 0.00 -0.96 0.00 0.00 56.93 56.45 2pkr s PHE 53 Cb -0.35 -4.19 0.07 0.00 -0.34 0.00 0.00 43.02 38.20 2pkr s PHE 53 CO 0.29 -4.96 2.14 -3.47 -1.46 0.00 0.00 175.22 167.76 2pkr n ASP 54 N 5.78 4.24 -3.49 6.13 2.03 -1.26 -4.83 116.55 125.15 2pkr n ASP 54 Ca 0.18 -2.91 -0.12 0.00 0.52 0.00 0.00 54.79 52.46 2pkr n ASP 54 Cb 0.38 -1.61 -0.03 0.00 -0.72 0.00 0.00 41.12 39.14 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 2.42 -1.75 -0.49 -1.67 0.00 -1.26 -5.11 121.76 113.90 2pkr s ALA 55 Ca 0.45 0.97 -0.29 0.00 0.00 0.00 0.00 51.96 53.09 2pkr s ALA 55 Cb 0.13 0.35 0.03 0.00 0.00 0.00 0.00 23.12 23.63 2pkr s ALA 55 CO -0.06 -0.60 1.16 -0.51 0.00 0.00 0.00 175.76 175.74 2pkr s ASP 56 N -2.14 6.59 -0.11 0.00 1.01 -1.26 -4.88 116.67 115.88 2pkr s ASP 56 Ca -0.00 0.45 0.03 0.00 0.71 0.00 0.00 52.55 53.73 2pkr s ASP 56 Cb -0.01 -2.55 -0.00 0.00 1.01 0.00 0.00 42.92 41.37 2pkr s ASP 56 CO -0.05 -1.30 -0.21 -0.69 0.21 0.00 0.00 175.17 173.14 2pkr s VAL 57 N 4.59 2.37 0.18 -1.27 1.01 -1.26 0.10 120.40 126.12 2pkr s VAL 57 Ca 0.48 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 2pkr s VAL 57 Cb -0.07 -1.94 0.03 0.00 0.00 0.00 0.00 36.38 34.40 2pkr s VAL 57 CO 0.31 0.55 0.51 -1.59 0.00 0.00 0.00 175.10 174.89 2pkr s LYS 58 N 0.36 1.32 0.41 2.72 -2.85 -0.79 -5.00 119.74 115.92 2pkr s LYS 58 Ca -0.16 -0.80 -0.23 0.00 -1.00 0.00 0.00 55.97 53.78 2pkr s LYS 58 Cb -0.17 0.52 -0.09 0.00 -2.06 0.00 0.00 37.83 36.02 2pkr s LYS 58 CO 0.08 -0.56 1.01 0.95 0.10 0.00 0.00 175.35 176.93 2pkr s THR 59 N -3.85 3.95 -0.66 3.79 -4.23 -1.26 -0.70 115.64 112.68 2pkr s THR 59 Ca 0.07 1.41 0.01 0.00 -1.18 0.00 0.00 61.69 62.00 2pkr s THR 59 Cb -0.01 -3.69 0.38 0.00 1.34 0.00 0.00 72.50 70.53 2pkr s THR 59 CO -0.05 -0.07 1.61 0.00 -0.54 0.00 0.00 174.62 175.56 2pkr n ALA 60 N -0.22 5.86 -1.67 3.99 0.00 0.26 -4.71 120.51 124.03 2pkr n ALA 60 Ca 0.06 -4.21 0.00 0.00 0.00 0.00 0.00 53.44 49.28 2pkr n ALA 60 Cb 0.51 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2pkr n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pkr n GLY 60 N -0.51 -1.67 1.42 0.00 0.00 -1.26 -4.18 105.19 98.98 2pkr n GLY 60 Ca 0.47 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 1.06 3.21 -0.09 1.61 9.92 -1.26 -3.77 116.55 127.23 2pkr n ASP 61 Ca 0.00 -3.79 0.04 0.00 -0.53 0.00 0.00 54.79 50.51 2pkr n ASP 61 Cb 0.00 -0.64 -0.02 0.00 -0.64 0.00 0.00 41.12 39.82 2pkr n ASP 61 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2pkr n SER 62 N -1.06 0.71 -4.35 -2.24 3.41 -1.26 -4.86 113.62 103.96 2pkr n SER 62 Ca 0.38 -0.85 -0.19 0.00 -0.26 0.00 0.00 58.87 57.95 2pkr n SER 62 Cb 1.03 0.75 -0.10 0.00 -0.26 0.00 0.00 64.21 65.63 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 -1.48 2.06 0.07 7.33 0.00 -1.25 -0.20 121.76 128.29 2pkr s ALA 63 Ca 0.05 -1.92 -0.01 0.00 0.00 0.00 0.00 51.96 50.08 2pkr s ALA 63 Cb 0.06 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 2pkr s ALA 63 CO 0.27 -0.39 -0.02 0.96 0.00 0.00 0.00 175.76 176.58 2pkr s ILE 64 N -3.53 0.22 -0.02 0.00 -4.36 -0.26 -0.57 121.20 112.68 2pkr s ILE 64 Ca 0.37 -1.83 0.03 0.00 -0.26 0.00 0.00 60.65 58.95 2pkr s ILE 64 Cb 0.08 -1.62 -0.00 0.00 1.25 0.00 0.00 42.46 42.17 2pkr s ILE 64 CO 0.15 -0.90 -0.09 -0.94 0.24 0.00 0.00 174.94 173.39 2pkr s SER 65 N -2.95 1.18 -0.28 4.36 1.04 0.12 0.87 113.70 118.05 2pkr s SER 65 Ca 0.10 -0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.37 2pkr s SER 65 Cb 0.08 -0.24 0.06 0.00 0.10 0.00 0.00 66.02 66.02 2pkr s SER 65 CO -0.08 0.09 -0.06 -0.69 0.98 0.00 0.00 173.24 173.48 2pkr s VAL 66 N 0.01 2.43 -1.52 5.02 1.01 -0.65 -1.88 120.40 124.82 2pkr s VAL 66 Ca -0.00 -1.63 -0.13 0.00 0.00 0.00 0.00 61.98 60.21 2pkr s VAL 66 Cb -0.06 -2.45 0.08 0.00 0.00 0.00 0.00 36.38 33.94 2pkr s VAL 66 CO 0.00 -0.11 1.00 0.47 0.00 0.00 0.00 175.10 176.47 2pkr n ASP 67 N 4.47 -4.94 0.00 3.32 8.00 0.28 -1.33 116.55 126.35 2pkr n ASP 67 Ca -0.12 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.62 2pkr n ASP 67 Cb 0.42 -3.98 0.00 0.00 -0.02 0.00 0.00 41.12 37.55 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 -1.72 3.10 3.61 0.44 0.00 -1.26 -5.01 105.19 104.35 2pkr n GLY 68 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.36 3.74 0.20 1.61 2.20 -0.44 -4.99 119.74 121.70 2pkr s LYS 69 Ca 0.00 0.81 -0.30 0.00 -0.36 0.00 0.00 55.97 56.13 2pkr s LYS 69 Cb 0.00 -3.92 -0.08 0.00 -1.51 0.00 0.00 37.83 32.32 2pkr s LYS 69 CO 0.00 -1.35 1.10 0.08 -0.36 0.00 0.00 175.35 174.82 2pkr s VAL 70 N 4.64 3.77 -0.11 4.02 1.01 -1.26 -1.63 120.40 130.83 2pkr s VAL 70 Ca 0.53 1.58 0.01 0.00 0.00 0.00 0.00 61.98 64.09 2pkr s VAL 70 Cb -0.11 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.28 2pkr s VAL 70 CO 0.29 0.30 -0.12 -0.63 0.00 0.00 0.00 175.10 174.94 2pkr s ILE 71 N -0.46 1.29 0.60 2.22 1.01 0.25 -4.92 121.20 121.19 2pkr s ILE 71 Ca 0.48 -0.50 -0.19 0.00 0.00 0.00 0.00 60.65 60.45 2pkr s ILE 71 Cb -0.30 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 2pkr s ILE 71 CO 0.36 0.41 1.20 -0.75 0.00 0.00 0.00 174.94 176.16 2pkr s LYS 72 N 1.26 2.97 -0.07 2.79 2.47 -0.49 -1.10 119.74 127.57 2pkr s LYS 72 Ca -0.02 1.80 -0.00 0.00 -1.56 0.00 0.00 55.97 56.19 2pkr s LYS 72 Cb -0.14 -1.93 0.02 0.00 -1.46 0.00 0.00 37.83 34.32 2pkr s LYS 72 CO -0.05 -1.20 -0.03 0.08 0.16 0.00 0.00 175.35 174.31 2pkr s VAL 73 N -1.63 0.58 0.44 4.02 1.01 0.72 -0.38 120.40 125.15 2pkr s VAL 73 Ca 0.77 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.74 2pkr s VAL 73 Cb -0.30 -0.65 -0.06 0.00 0.00 0.00 0.00 36.38 35.37 2pkr s VAL 73 CO 0.33 0.27 0.01 0.68 0.00 0.00 0.00 175.10 176.39 2pkr s VAL 74 N 1.52 1.75 -0.25 2.92 -7.23 0.03 -4.61 120.40 114.53 2pkr s VAL 74 Ca -0.01 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.14 2pkr s VAL 74 Cb -0.13 -2.76 0.12 0.00 0.56 0.00 0.00 36.38 34.17 2pkr s VAL 74 CO -0.04 0.00 0.30 -0.44 -0.31 0.00 0.00 175.10 174.62 2pkr s SER 75 N -3.75 1.07 -0.26 4.85 0.01 -1.26 -0.72 113.70 113.64 2pkr s SER 75 Ca 0.27 -0.26 -0.12 0.00 1.31 0.00 0.00 55.95 57.14 2pkr s SER 75 Cb 0.08 0.69 0.09 0.00 0.21 0.00 0.00 66.02 67.09 2pkr s SER 75 CO 0.14 -0.34 0.61 -0.62 0.41 0.00 0.00 173.24 173.44 2pkr s ASP 76 N 2.42 -0.88 0.27 2.44 -1.08 -1.26 -4.96 116.67 113.62 2pkr s ASP 76 Ca 0.10 1.39 0.25 0.00 -0.52 0.00 0.00 52.55 53.77 2pkr s ASP 76 Cb -0.15 1.60 0.88 0.00 -1.46 0.00 0.00 42.92 43.79 2pkr s ASP 76 CO -0.21 -0.23 1.75 0.03 0.52 0.00 0.00 175.17 177.04 2pkr h ARG 77 N 7.48 0.00 -4.41 4.34 3.08 -1.99 -3.41 114.38 119.46 2pkr h ARG 77 Ca -0.25 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 59.07 2pkr h ARG 77 Cb 1.17 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.98 2pkr h ARG 77 CO 0.15 0.00 -0.40 1.21 -1.07 0.00 0.00 179.97 179.86 2pkr s ASN 78 N -4.62 5.95 0.48 7.04 3.84 -1.26 -4.97 114.94 121.39 2pkr s ASN 78 Ca 0.07 -1.28 0.16 0.00 0.21 0.00 0.00 52.86 52.03 2pkr s ASN 78 Cb 0.10 -2.10 1.16 0.00 -0.55 0.00 0.00 41.25 39.86 2pkr s ASN 78 CO 0.52 -0.56 2.03 -0.65 -2.79 0.00 0.00 177.10 175.66 2pkr h PRO 79 N 8.60 0.22 -0.05 0.43 0.11 -1.91 -2.18 132.00 137.22 2pkr h PRO 79 Ca -0.26 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.85 2pkr h PRO 79 Cb 1.10 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2pkr h PRO 79 CO 0.80 0.15 0.05 -0.39 -0.21 0.00 0.00 178.00 178.39 2pkr h VAL 80 N 0.23 0.66 -0.22 3.15 -1.51 -1.94 -1.10 116.25 115.51 2pkr h VAL 80 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.66 2pkr h VAL 80 Cb 0.47 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 2pkr h VAL 80 CO -0.04 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.89 2pkr n ASN 81 N -4.05 1.94 -4.77 4.19 5.03 -0.82 -4.33 115.26 112.45 2pkr n ASN 81 Ca -0.02 -1.78 -0.38 0.00 0.87 0.00 0.00 54.58 53.27 2pkr n ASN 81 Cb 0.15 -0.14 -0.05 0.00 -1.02 0.00 0.00 39.78 38.71 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 -1.49 4.38 0.00 3.41 1.43 -0.42 -4.93 118.68 121.07 2pkr s LEU 82 Ca 0.32 1.99 -0.03 0.00 -1.03 0.00 0.00 54.13 55.38 2pkr s LEU 82 Cb 0.18 -3.91 -0.15 0.00 0.03 0.00 0.00 46.19 42.34 2pkr s LEU 82 CO 0.26 -0.15 2.87 -0.81 0.23 0.00 0.00 176.35 178.75 2pkr n PRO 83 N 0.68 1.54 -0.02 1.29 -0.04 -1.26 -4.49 135.00 132.69 2pkr n PRO 83 Ca 0.01 -0.55 -0.13 0.00 -0.04 0.00 0.00 63.50 62.79 2pkr n PRO 83 Cb 0.48 -1.56 -0.10 0.00 -0.04 0.00 0.00 33.50 32.29 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 2.15 0.08 0.00 0.54 -0.00 -1.90 -1.54 115.95 115.27 2pkr h TRP 84 Ca 0.10 -0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.97 2pkr h TRP 84 Cb 1.27 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 30.41 2pkr h TRP 84 CO 1.09 0.57 -0.02 0.78 -0.00 0.00 0.00 178.44 180.86 2pkr h GLY 85 N -0.43 -0.02 0.95 1.49 0.00 -0.88 0.36 103.07 104.53 2pkr h GLY 85 Ca 0.00 0.03 0.09 0.00 0.00 0.00 0.00 47.33 47.45 2pkr h GLY 85 CO 0.01 -0.03 0.47 -0.55 0.00 0.00 0.00 176.54 176.44 2pkr h ASP 86 N -0.04 0.56 0.64 0.19 3.32 -1.81 -1.25 116.42 118.03 2pkr h ASP 86 Ca 0.01 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2pkr h ASP 86 Cb 0.05 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2pkr h ASP 86 CO -0.02 0.34 -0.38 0.23 -1.72 0.00 0.00 179.24 177.69 2pkr n MET 87 N -4.49 0.01 -1.37 3.56 2.81 -0.58 -4.94 117.12 112.13 2pkr n MET 87 Ca 0.11 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.97 2pkr n MET 87 Cb 0.32 -1.51 -0.01 0.00 -0.71 0.00 0.00 33.22 31.31 2pkr n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pkr n GLY 88 N 1.49 0.53 3.68 3.03 0.00 0.03 -4.97 105.19 108.98 2pkr n GLY 88 Ca 0.06 -0.87 -0.46 0.00 0.00 0.00 0.00 46.02 44.74 2pkr n GLY 88 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2pkr n ILE 89 N -3.21 0.54 -0.01 -0.61 2.08 -0.68 -4.85 119.36 112.63 2pkr n ILE 89 Ca -0.04 -0.10 -0.20 0.00 0.56 0.00 0.00 62.75 62.98 2pkr n ILE 89 Cb 0.23 -1.95 -0.14 0.00 -0.75 0.00 0.00 39.64 37.03 2pkr n ILE 89 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 2pkr h ASP 90 N 9.11 0.28 -3.41 4.38 3.32 -0.75 -2.76 116.42 126.58 2pkr h ASP 90 Ca -0.48 -0.85 -0.42 0.00 0.02 0.00 0.00 57.03 55.30 2pkr h ASP 90 Cb 1.26 -0.09 -0.35 0.00 0.22 0.00 0.00 39.33 40.37 2pkr h ASP 90 CO 0.94 1.45 -0.77 -0.22 -1.72 0.00 0.00 179.24 178.91 2pkr s LEU 91 N -7.78 1.19 -0.25 1.55 2.96 -0.80 -0.91 118.68 114.65 2pkr s LEU 91 Ca -0.20 -0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 53.49 2pkr s LEU 91 Cb 0.03 -0.46 -0.04 0.00 0.50 0.00 0.00 46.19 46.21 2pkr s LEU 91 CO 0.74 -0.08 0.13 -0.69 -1.32 0.00 0.00 176.35 175.14 2pkr s VAL 92 N 1.13 4.99 -0.70 1.68 1.01 -0.11 -1.47 120.40 126.93 2pkr s VAL 92 Ca -0.08 0.06 -0.25 0.00 0.00 0.00 0.00 61.98 61.71 2pkr s VAL 92 Cb -0.14 -3.34 0.05 0.00 0.00 0.00 0.00 36.38 32.95 2pkr s VAL 92 CO -0.01 0.33 1.13 -0.63 0.00 0.00 0.00 175.10 175.92 2pkr s ILE 93 N 1.34 4.01 -0.70 2.22 -1.09 0.92 -1.27 121.20 126.63 2pkr s ILE 93 Ca 0.06 0.04 -0.27 0.00 -2.23 0.00 0.00 60.65 58.26 2pkr s ILE 93 Cb -0.15 -4.81 0.01 0.00 -1.58 0.00 0.00 42.46 35.94 2pkr s ILE 93 CO 0.06 -1.67 1.46 -0.70 -1.23 0.00 0.00 174.94 172.87 2pkr s GLU 94 N 4.94 3.01 -0.24 2.79 -6.30 0.19 -1.49 118.70 121.60 2pkr s GLU 94 Ca 0.29 0.03 0.10 0.00 -2.50 0.00 0.00 54.97 52.89 2pkr s GLU 94 Cb -0.12 -4.25 0.44 0.00 0.00 0.00 0.00 34.13 30.20 2pkr s GLU 94 CO 0.13 -2.34 1.20 0.41 0.02 0.00 0.00 175.26 174.68 2pkr n GLY 95 N 5.49 5.40 0.09 -1.50 0.00 0.27 -1.27 105.19 113.67 2pkr n GLY 95 Ca 0.09 -1.91 -0.05 0.00 0.00 0.00 0.00 46.02 44.15 2pkr n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pkr n THR 96 N -0.83 1.33 -0.95 2.61 -2.24 -1.21 -4.65 114.28 108.33 2pkr n THR 96 Ca 0.29 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 2pkr n THR 96 Cb 0.85 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 2pkr n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pkr n GLY 97 N 1.52 0.84 0.00 3.38 0.00 -1.26 -4.85 105.19 104.82 2pkr n GLY 97 Ca -0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.28 0.00 -3.29 1.61 0.24 -1.26 -4.73 118.33 108.62 2pkr n VAL 98 Ca 0.00 -0.27 -0.29 0.00 -2.04 0.00 0.00 64.34 61.74 2pkr n VAL 98 Cb 0.00 0.75 -0.06 0.00 -1.47 0.00 0.00 33.84 33.06 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 -1.41 3.53 0.95 6.34 3.72 -1.26 -4.83 117.46 124.50 2pkr n PHE 99 Ca 0.00 -3.91 0.10 0.00 -0.05 0.00 0.00 57.45 53.60 2pkr n PHE 99 Cb 0.16 -0.65 -0.02 0.00 -0.94 0.00 0.00 39.48 38.04 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 0.74 0.00 -3.30 -4.37 0.24 -1.26 -3.61 118.33 106.77 2pkr n VAL 100 Ca 0.30 -0.25 -0.21 0.00 -2.04 0.00 0.00 64.34 62.14 2pkr n VAL 100 Cb 0.39 1.23 0.03 0.00 -1.47 0.00 0.00 33.84 34.02 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 -2.43 5.06 0.15 -1.34 -4.77 -1.26 -1.16 116.67 110.91 2pkr s ASP 101 Ca 0.17 -0.87 -0.14 0.00 -3.30 0.00 0.00 52.55 48.41 2pkr s ASP 101 Cb 0.17 0.09 0.02 0.00 -1.09 0.00 0.00 42.92 42.11 2pkr s ASP 101 CO 0.57 -1.12 1.65 0.03 0.70 0.00 0.00 175.17 177.00 2pkr h ARG 102 N 0.48 0.77 -0.58 2.11 3.08 -1.94 -0.25 114.38 118.05 2pkr h ARG 102 Ca -0.34 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.49 2pkr h ARG 102 Cb 1.29 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 2pkr h ARG 102 CO 0.47 0.75 0.22 -0.44 -1.07 0.00 0.00 179.97 179.90 2pkr h ASP 103 N 0.65 0.81 0.62 7.04 3.32 -1.96 0.25 116.42 127.15 2pkr h ASP 103 Ca 0.15 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 2pkr h ASP 103 Cb 0.32 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.67 2pkr h ASP 103 CO 0.00 0.76 -0.30 1.23 -1.72 0.00 0.00 179.24 179.22 2pkr h GLY 104 N 0.80 -0.87 1.54 2.75 0.00 -1.87 -3.10 103.07 102.32 2pkr h GLY 104 Ca 0.19 0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.89 2pkr h GLY 104 CO -0.01 -0.32 0.22 0.00 0.00 0.00 0.00 176.54 176.43 2pkr h ALA 105 N -1.27 1.97 0.00 3.60 0.00 -1.08 -0.15 119.26 122.33 2pkr h ALA 105 Ca -0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2pkr h ALA 105 Cb 0.64 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2pkr h ALA 105 CO 0.14 -0.03 -0.01 0.78 0.00 0.00 0.00 179.25 180.13 2pkr h GLY 106 N 0.26 0.00 -0.06 0.00 0.00 -0.47 -1.77 103.07 101.03 2pkr h GLY 106 Ca 0.14 0.00 0.27 0.00 0.00 0.00 0.00 47.33 47.74 2pkr h GLY 106 CO -0.03 0.00 0.69 0.50 0.00 0.00 0.00 176.54 177.71 2pkr h LYS 107 N 0.00 0.24 0.00 4.80 1.57 -0.94 1.66 116.57 123.90 2pkr h LYS 107 Ca -0.00 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 2pkr h LYS 107 Cb 0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2pkr h LYS 107 CO 0.00 0.16 -0.30 0.45 -0.57 0.00 0.00 179.45 179.19 2pkr h HIS 108 N 0.25 0.00 0.02 -1.35 3.86 -1.49 -1.23 115.15 115.21 2pkr h HIS 108 Ca 0.54 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.52 2pkr h HIS 108 Cb 1.65 0.00 0.02 0.00 1.06 0.00 0.00 27.41 30.14 2pkr h HIS 108 CO -0.00 0.30 -0.91 -0.07 0.86 0.00 0.00 177.93 178.10 2pkr h LEU 109 N 0.00 0.76 -1.45 2.43 3.38 0.22 -0.70 115.31 119.95 2pkr h LEU 109 Ca -0.00 -0.77 0.10 0.00 0.09 0.00 0.00 57.88 57.30 2pkr h LEU 109 Cb 0.59 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2pkr h LEU 109 CO 0.04 1.44 0.49 1.56 0.09 0.00 0.00 178.44 182.05 2pkr h GLN 110 N 0.17 0.59 0.00 1.13 4.20 -0.54 0.16 115.11 120.82 2pkr h GLN 110 Ca -0.12 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2pkr h GLN 110 Cb 1.60 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.24 2pkr h GLN 110 CO 0.18 0.39 0.00 0.00 -0.67 0.00 0.00 178.83 178.73 2pkr n ALA 111 N -2.47 2.17 0.00 3.87 0.00 -0.51 -4.91 120.51 118.66 2pkr n ALA 111 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2pkr n ALA 111 Cb 0.36 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 0.95 0.95 3.77 0.00 0.00 0.55 -0.51 105.19 110.90 2pkr n GLY 112 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 3.25 0.02 4.61 0.00 -0.29 -3.74 121.76 123.62 2pkr s ALA 113 Ca 0.00 0.85 0.10 0.00 0.00 0.00 0.00 51.96 52.91 2pkr s ALA 113 Cb 0.00 -3.32 -0.12 0.00 0.00 0.00 0.00 23.12 19.68 2pkr s ALA 113 CO 0.00 -0.25 1.31 0.87 0.00 0.00 0.00 175.76 177.69 2pkr h LYS 114 N 3.14 0.00 -2.93 0.00 1.57 -1.46 -3.38 116.57 113.51 2pkr h LYS 114 Ca -0.48 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.23 2pkr h LYS 114 Cb 1.22 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.36 2pkr h LYS 114 CO 0.64 0.82 -0.09 0.21 -0.57 0.00 0.00 179.45 180.47 2pkr s LYS 115 N -2.79 0.92 -0.03 3.15 2.20 -0.08 -4.87 119.74 118.23 2pkr s LYS 115 Ca 0.02 -0.29 0.04 0.00 -0.36 0.00 0.00 55.97 55.37 2pkr s LYS 115 Cb 0.09 0.41 -0.00 0.00 -1.51 0.00 0.00 37.83 36.82 2pkr s LYS 115 CO 0.80 -0.31 -0.13 0.08 -0.36 0.00 0.00 175.35 175.43 2pkr s VAL 116 N -2.27 1.08 -0.29 4.02 1.01 0.68 -0.93 120.40 123.70 2pkr s VAL 116 Ca -0.06 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.40 2pkr s VAL 116 Cb -0.01 -0.94 0.08 0.00 0.00 0.00 0.00 36.38 35.51 2pkr s VAL 116 CO -0.01 0.32 -0.02 -0.22 0.00 0.00 0.00 175.10 175.17 2pkr s LEU 117 N 0.03 3.67 -0.08 3.92 0.20 -0.39 -0.89 118.68 125.15 2pkr s LEU 117 Ca -0.02 -1.66 -0.28 0.00 0.69 0.00 0.00 54.13 52.86 2pkr s LEU 117 Cb -0.09 -1.45 -0.02 0.00 -0.43 0.00 0.00 46.19 44.20 2pkr s LEU 117 CO 0.01 -0.29 0.93 -0.63 -0.29 0.00 0.00 176.35 176.08 2pkr s ILE 118 N 1.13 4.86 -0.13 6.68 1.01 0.68 -0.64 121.20 134.77 2pkr s ILE 118 Ca 0.01 1.91 -0.04 0.00 0.00 0.00 0.00 60.65 62.53 2pkr s ILE 118 Cb -0.19 -4.26 -0.08 0.00 0.01 0.00 0.00 42.46 37.94 2pkr s ILE 118 CO -0.08 0.08 2.89 0.35 0.00 0.00 0.00 174.94 178.18 2pkr n THR 119 N 4.30 2.82 -3.63 2.92 -2.24 -0.39 -1.65 114.28 116.40 2pkr n THR 119 Ca 0.06 -1.61 0.01 0.00 -2.27 0.00 0.00 64.05 60.24 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 -0.13 -2.17 0.39 6.98 0.00 -1.24 -4.93 121.76 120.65 2pkr s ALA 120 Ca 0.46 0.66 -0.27 0.00 0.00 0.00 0.00 51.96 52.81 2pkr s ALA 120 Cb 0.25 0.38 -0.11 0.00 0.00 0.00 0.00 23.12 23.64 2pkr s ALA 120 CO -0.05 -1.04 1.37 -2.30 0.00 0.00 0.00 175.76 173.74 2pkr n PRO 121 N -0.48 2.25 -3.44 0.00 -0.02 -1.25 -4.00 135.00 128.07 2pkr n PRO 121 Ca -0.08 0.79 -0.35 0.00 -2.02 0.00 0.00 63.50 61.84 2pkr n PRO 121 Cb 0.63 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.55 2pkr n PRO 121 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2pkr s GLY 122 N -0.35 2.41 0.04 -1.23 0.00 -1.26 -4.92 107.32 102.00 2pkr s GLY 122 Ca 0.57 -0.22 -0.14 0.00 0.00 0.00 0.00 44.72 44.93 2pkr s GLY 122 CO 0.61 0.03 0.42 0.54 0.00 0.00 0.00 173.10 174.70 2pkr s LYS 122 N -1.98 3.89 2.39 2.90 -0.14 -0.31 -4.82 119.74 121.66 2pkr s LYS 122 Ca 0.37 0.37 0.00 0.00 -1.36 0.00 0.00 55.97 55.34 2pkr s LYS 122 Cb -0.14 -3.14 0.00 0.00 -1.68 0.00 0.00 37.83 32.87 2pkr s LYS 122 CO 0.19 0.64 0.00 0.41 -0.76 0.00 0.00 175.35 175.83 2pkr n GLY 123 N 1.49 -1.06 3.19 -3.33 0.00 -1.26 -4.22 105.19 99.99 2pkr n GLY 123 Ca -0.12 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 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 0.29 4.55 -4.06 1.61 2.03 -1.26 -4.89 116.55 114.81 2pkr n ASP 124 Ca 0.00 -2.91 -0.30 0.00 0.52 0.00 0.00 54.79 52.10 2pkr n ASP 124 Cb 0.00 -1.68 -0.16 0.00 -0.72 0.00 0.00 41.12 38.55 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 3.36 1.67 -0.03 5.18 1.01 -1.26 -4.98 121.20 126.15 2pkr s ILE 125 Ca 0.49 -0.72 -0.34 0.00 0.00 0.00 0.00 60.65 60.09 2pkr s ILE 125 Cb 0.08 -1.54 -0.12 0.00 0.01 0.00 0.00 42.46 40.89 2pkr s ILE 125 CO 0.00 0.48 1.83 -2.65 0.00 0.00 0.00 174.94 174.60 2pkr n PRO 126 N 4.49 2.24 -4.32 2.79 -0.02 -1.25 -4.73 135.00 134.19 2pkr n PRO 126 Ca -0.18 0.82 -0.35 0.00 -2.02 0.00 0.00 63.50 61.77 2pkr n PRO 126 Cb 0.51 -2.66 -0.10 0.00 -0.02 0.00 0.00 33.50 31.23 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 3.45 4.34 0.03 3.45 2.01 -1.26 -0.67 115.64 126.98 2pkr s THR 127 Ca 0.89 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 62.69 2pkr s THR 127 Cb -0.67 -2.85 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 2pkr s THR 127 CO 0.48 0.57 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.59 2pkr s TYR 128 N -0.52 0.71 -0.15 4.92 2.02 -0.08 -4.79 117.35 119.45 2pkr s TYR 128 Ca 0.09 -0.35 -0.02 0.00 -0.37 0.00 0.00 57.07 56.41 2pkr s TYR 128 Cb -0.12 -0.43 0.05 0.00 -0.40 0.00 0.00 41.96 41.06 2pkr s TYR 128 CO 0.02 -0.04 0.02 0.08 -1.57 0.00 0.00 175.55 174.06 2pkr s VAL 129 N -0.93 0.54 0.15 0.71 1.01 -1.26 -4.06 120.40 116.56 2pkr s VAL 129 Ca -0.05 -0.36 -0.32 0.00 0.00 0.00 0.00 61.98 61.25 2pkr s VAL 129 Cb -0.07 -0.91 -0.12 0.00 0.00 0.00 0.00 36.38 35.28 2pkr s VAL 129 CO 0.00 -0.03 1.76 0.52 0.00 0.00 0.00 175.10 177.35 2pkr n VAL 130 N 5.06 0.19 -0.02 2.92 0.31 -1.26 -0.75 118.33 124.79 2pkr n VAL 130 Ca -0.09 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2pkr n VAL 130 Cb 0.48 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 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 4.03 0.31 0.91 2.92 0.00 -1.26 -4.89 105.19 107.21 2pkr n GLY 131 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 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 0.43 -2.06 1.61 0.31 0.07 -4.91 118.33 111.78 2pkr n VAL 132 Ca 0.00 0.05 -0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2pkr n VAL 132 Cb 0.00 -1.58 -0.00 0.00 -0.91 0.00 0.00 33.84 31.35 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 0.02 0.31 4.52 2.04 -0.99 -4.93 115.26 112.97 2pkr n ASN 133 Ca -0.05 -1.64 0.19 0.00 -0.44 0.00 0.00 54.58 52.63 2pkr n ASN 133 Cb 0.44 -0.09 0.97 0.00 -2.53 0.00 0.00 39.78 38.57 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 0.11 0.00 0.00 -3.83 9.09 -1.94 -1.87 114.58 116.15 2pkr h GLU 134 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.33 2pkr h GLU 134 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 2pkr h GLU 134 CO -0.02 0.02 0.00 0.39 0.05 0.00 0.00 179.01 179.46 2pkr n GLU 135 N -3.27 0.12 0.00 1.06 1.02 -1.26 -1.75 120.64 116.56 2pkr n GLU 135 Ca -0.02 0.51 0.14 0.00 -0.02 0.00 0.00 57.16 57.77 2pkr n GLU 135 Cb 0.16 -1.82 0.55 0.00 -0.02 0.00 0.00 31.44 30.31 2pkr n GLU 135 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pkr n GLY 136 N -0.78 -1.33 3.77 0.62 0.00 -0.70 -4.89 105.19 101.87 2pkr n GLY 136 Ca 0.00 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.87 2.82 0.04 1.61 5.04 -0.72 -5.04 117.35 118.23 2pkr s TYR 137 Ca 0.17 1.41 0.02 0.00 -2.44 0.00 0.00 57.07 56.23 2pkr s TYR 137 Cb 0.19 -3.68 -0.02 0.00 0.35 0.00 0.00 41.96 38.80 2pkr s TYR 137 CO 0.55 -2.10 -0.08 0.95 -1.34 0.00 0.00 175.55 173.53 2pkr s THR 138 N -1.26 0.58 0.65 4.34 -4.23 -1.26 -5.02 115.64 109.44 2pkr s THR 138 Ca 0.57 -1.11 0.42 0.00 -1.18 0.00 0.00 61.69 60.39 2pkr s THR 138 Cb -0.38 -0.66 0.43 0.00 1.34 0.00 0.00 72.50 73.24 2pkr s THR 138 CO 0.49 -0.38 2.35 -0.74 -0.54 0.00 0.00 174.62 175.81 2pkr h HIS 139 N 4.46 0.00 0.00 3.99 2.76 -1.96 -2.24 115.15 122.16 2pkr h HIS 139 Ca -0.36 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.80 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 0.65 0.00 -0.04 0.00 -1.30 0.00 0.00 177.93 177.23 2pkr h ALA 140 N 2.00 1.12 -1.96 5.26 0.00 -1.95 -3.42 119.26 120.31 2pkr h ALA 140 Ca -0.00 -0.04 -0.57 0.00 0.00 0.00 0.00 54.91 54.30 2pkr h ALA 140 Cb 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2pkr h ALA 140 CO 0.00 0.05 1.19 -0.51 0.00 0.00 0.00 179.25 179.99 2pkr s ASP 141 N -5.69 6.16 0.15 0.00 1.01 -0.85 -4.85 116.67 112.61 2pkr s ASP 141 Ca -0.03 1.46 0.09 0.00 0.71 0.00 0.00 52.55 54.78 2pkr s ASP 141 Cb 0.12 -2.53 -0.15 0.00 1.01 0.00 0.00 42.92 41.38 2pkr s ASP 141 CO 0.51 -1.46 1.32 0.71 0.21 0.00 0.00 175.17 176.46 2pkr h THR 142 N 6.45 1.56 -3.28 -1.27 1.35 -1.89 -3.45 112.91 112.38 2pkr h THR 142 Ca -0.34 -3.18 -0.45 0.00 -0.55 0.00 0.00 66.41 61.89 2pkr h THR 142 Cb 1.16 2.76 -0.37 0.00 -1.73 0.00 0.00 68.15 69.96 2pkr h THR 142 CO 1.02 0.88 -0.78 -0.63 -0.25 0.00 0.00 175.52 175.76 2pkr s ILE 143 N -2.78 0.54 0.25 6.82 1.01 -1.26 -0.23 121.20 125.55 2pkr s ILE 143 Ca 0.01 -0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.73 2pkr s ILE 143 Cb 0.10 -0.64 -0.05 0.00 0.01 0.00 0.00 42.46 41.87 2pkr s ILE 143 CO 0.80 0.28 -0.09 0.27 0.00 0.00 0.00 174.94 176.21 2pkr s ILE 144 N 1.72 1.64 -0.03 2.92 -4.36 -0.07 -3.91 121.20 119.12 2pkr s ILE 144 Ca 0.02 -2.15 0.07 0.00 -0.26 0.00 0.00 60.65 58.33 2pkr s ILE 144 Cb -0.13 -2.30 -0.02 0.00 1.25 0.00 0.00 42.46 41.27 2pkr s ILE 144 CO -0.05 -0.40 -0.23 -0.55 0.24 0.00 0.00 174.94 173.95 2pkr s SER 145 N -3.39 2.71 -0.19 4.36 0.15 0.16 -0.23 113.70 117.26 2pkr s SER 145 Ca 0.27 -0.43 0.14 0.00 0.70 0.00 0.00 55.95 56.63 2pkr s SER 145 Cb 0.02 -0.40 0.74 0.00 -1.71 0.00 0.00 66.02 64.67 2pkr s SER 145 CO 0.10 0.27 1.63 -3.20 1.20 0.00 0.00 173.24 173.23 2pkr n ASN 146 N 2.62 5.15 -0.94 5.45 5.15 -0.66 -0.90 115.26 131.12 2pkr n ASN 146 Ca -0.16 -2.75 0.00 0.00 -0.60 0.00 0.00 54.58 51.07 2pkr n ASN 146 Cb 0.52 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 39.12 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 0.68 0.00 -2.01 5.20 0.00 -1.26 -4.81 120.51 118.32 2pkr n ALA 147 Ca 0.25 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.49 2pkr n ALA 147 Cb 1.06 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.56 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 5.18 0.16 0.00 1.04 -1.26 -3.70 113.70 111.12 2pkr s SER 148 Ca 0.00 -0.50 -0.13 0.00 0.48 0.00 0.00 55.95 55.80 2pkr s SER 148 Cb 0.00 -0.24 0.04 0.00 0.10 0.00 0.00 66.02 65.92 2pkr s SER 148 CO 0.00 -1.21 1.67 0.00 0.98 0.00 0.00 173.24 174.67 2pkr h THR 150 N 0.73 1.29 -0.12 0.00 2.02 -1.95 -2.07 112.91 112.82 2pkr h THR 150 Ca 0.17 -1.40 -0.14 0.00 0.77 0.00 0.00 66.41 65.80 2pkr h THR 150 Cb 0.32 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 2pkr h THR 150 CO -0.00 0.41 -0.54 0.74 0.37 0.00 0.00 175.52 176.50 2pkr h THR 151 N 0.10 1.35 0.00 3.16 2.02 -1.79 -0.75 112.91 117.00 2pkr h THR 151 Ca 0.01 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 65.37 2pkr h THR 151 Cb 0.73 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 2pkr h THR 151 CO 0.05 0.55 0.00 0.78 0.37 0.00 0.00 175.52 177.27 2pkr h ASN 152 N 0.27 0.00 0.09 4.18 4.21 -0.96 -1.51 115.58 121.86 2pkr h ASN 152 Ca 0.01 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 57.25 2pkr h ASN 152 Cb 1.03 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.23 2pkr h ASN 152 CO 0.09 0.00 -1.38 0.00 -1.29 0.00 0.00 177.43 174.85 2pkr h LEU 154 N -0.41 -0.47 -0.83 0.00 5.85 -1.11 -3.38 115.31 114.96 2pkr h LEU 154 Ca -0.31 -0.10 0.14 0.00 0.84 0.00 0.00 57.88 58.45 2pkr h LEU 154 Cb 1.68 0.12 -0.14 0.00 0.37 0.00 0.00 40.66 42.69 2pkr h LEU 154 CO 0.02 -0.05 -0.35 0.00 -0.34 0.00 0.00 178.44 177.72 2pkr h ALA 155 N -0.75 0.14 -0.51 1.25 0.00 -1.51 -1.36 119.26 116.53 2pkr h ALA 155 Ca -0.06 0.24 0.10 0.00 0.00 0.00 0.00 54.91 55.20 2pkr h ALA 155 Cb 0.54 0.88 -0.09 0.00 0.00 0.00 0.00 17.79 19.12 2pkr h ALA 155 CO 0.09 -0.61 -0.04 -1.35 0.00 0.00 0.00 179.25 177.34 2pkr h PRO 156 N -0.06 0.08 0.00 0.00 0.11 -1.78 0.24 132.00 130.58 2pkr h PRO 156 Ca 0.31 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 2pkr h PRO 156 Cb 0.59 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.68 2pkr h PRO 156 CO -0.86 0.05 -0.36 0.27 -0.21 0.00 0.00 178.00 176.88 2pkr h PHE 157 N 0.08 0.00 -0.06 0.65 -5.15 -1.63 -2.89 116.94 107.93 2pkr h PHE 157 Ca 0.25 0.00 -0.19 0.00 -0.20 0.00 0.00 57.97 57.84 2pkr h PHE 157 Cb 0.39 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.55 2pkr h PHE 157 CO -0.35 0.00 -0.75 0.28 -2.00 0.00 0.00 178.31 175.48 2pkr h VAL 158 N 0.00 1.39 -0.66 0.88 2.07 -0.63 -1.10 116.25 118.20 2pkr h VAL 158 Ca 0.00 -2.20 -0.03 0.00 0.82 0.00 0.00 66.70 65.29 2pkr h VAL 158 Cb 0.79 2.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 2pkr h VAL 158 CO 0.00 0.66 0.28 0.50 0.02 0.00 0.00 177.57 179.03 2pkr h LYS 159 N 0.25 0.97 -0.26 1.57 3.64 -0.40 0.29 116.57 122.63 2pkr h LYS 159 Ca -0.04 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 2pkr h LYS 159 Cb 1.34 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2pkr h LYS 159 CO 0.13 0.80 0.05 0.28 -2.27 0.00 0.00 179.45 178.43 2pkr h VAL 160 N 0.92 1.23 -0.79 2.00 2.07 -1.34 -2.27 116.25 118.06 2pkr h VAL 160 Ca 0.22 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2pkr h VAL 160 Cb 0.17 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 2pkr h VAL 160 CO -0.02 0.24 0.46 -0.07 0.02 0.00 0.00 177.57 178.20 2pkr h LEU 161 N 0.24 0.95 -0.64 2.57 3.38 -0.81 -0.82 115.31 120.17 2pkr h LEU 161 Ca 0.08 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 2pkr h LEU 161 Cb 0.32 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2pkr h LEU 161 CO 0.00 0.75 -0.42 -0.78 0.09 0.00 0.00 178.44 178.08 2pkr h ASP 162 N 1.09 0.62 -0.06 -0.43 3.58 -0.83 0.16 116.42 120.55 2pkr h ASP 162 Ca 0.28 -0.28 -0.11 0.00 0.42 0.00 0.00 57.03 57.33 2pkr h ASP 162 Cb -0.02 -0.17 0.01 0.00 1.72 0.00 0.00 39.33 40.87 2pkr h ASP 162 CO -0.05 0.96 -0.41 1.56 -2.88 0.00 0.00 179.24 178.42 2pkr h GLN 163 N 0.48 0.38 0.05 0.28 4.20 -1.13 -1.85 115.11 117.52 2pkr h GLN 163 Ca 0.04 -0.33 -0.24 0.00 0.06 0.00 0.00 58.65 58.18 2pkr h GLN 163 Cb 0.93 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 2pkr h GLN 163 CO 0.08 0.98 -1.09 0.87 -0.67 0.00 0.00 178.83 179.00 2pkr h LYS 164 N -0.11 0.13 0.00 1.46 1.79 -1.17 -3.41 116.57 115.26 2pkr h LYS 164 Ca -0.03 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 2pkr h LYS 164 Cb 1.08 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 2pkr h LYS 164 CO 0.08 1.09 -0.41 1.19 -1.08 0.00 0.00 179.45 180.32 2pkr n PHE 165 N -3.45 0.00 -1.54 -1.35 3.72 0.49 -4.95 117.46 110.38 2pkr n PHE 165 Ca -0.04 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.36 2pkr n PHE 165 Cb 0.97 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.50 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 1.17 -3.72 3.66 1.37 0.00 -0.70 -2.04 105.19 104.93 2pkr n GLY 166 Ca 0.00 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.19 4.85 -0.15 -0.61 1.01 -1.26 0.12 121.20 124.96 2pkr s ILE 167 Ca -0.03 1.63 -0.18 0.00 0.00 0.00 0.00 60.65 62.07 2pkr s ILE 167 Cb 0.00 -4.14 -0.24 0.00 0.01 0.00 0.00 42.46 38.09 2pkr s ILE 167 CO 0.07 -0.03 0.41 0.40 0.00 0.00 0.00 174.94 175.79 2pkr h ILE 168 N 5.32 1.00 -1.98 2.92 2.04 -1.22 -3.48 117.51 122.11 2pkr h ILE 168 Ca -0.26 -2.30 0.20 0.00 1.00 0.00 0.00 64.86 63.50 2pkr h ILE 168 Cb 1.11 2.55 -0.14 0.00 -0.74 0.00 0.00 36.82 39.60 2pkr h ILE 168 CO 0.86 0.56 0.62 -1.59 0.00 0.00 0.00 178.15 178.61 2pkr s LYS 169 N -2.42 0.73 0.06 2.37 -2.85 -1.21 -4.84 119.74 111.59 2pkr s LYS 169 Ca -0.24 -0.34 -0.27 0.00 -1.00 0.00 0.00 55.97 54.12 2pkr s LYS 169 Cb 0.05 0.29 0.09 0.00 -2.06 0.00 0.00 37.83 36.20 2pkr s LYS 169 CO 0.69 -0.33 1.16 0.20 0.10 0.00 0.00 175.35 177.17 2pkr s GLY 170 N -2.61 -0.23 0.07 0.59 0.00 -0.02 -0.76 107.32 104.35 2pkr s GLY 170 Ca 0.09 0.26 0.02 0.00 0.00 0.00 0.00 44.72 45.10 2pkr s GLY 170 CO -0.04 1.30 -0.07 -1.08 0.00 0.00 0.00 173.10 173.20 2pkr s THR 171 N -2.54 0.66 0.02 0.90 -1.32 0.19 -2.83 115.64 110.70 2pkr s THR 171 Ca 0.17 -1.54 -0.04 0.00 -1.21 0.00 0.00 61.69 59.07 2pkr s THR 171 Cb 0.01 -1.20 -0.01 0.00 -1.51 0.00 0.00 72.50 69.79 2pkr s THR 171 CO -0.00 -0.63 0.06 0.00 -2.21 0.00 0.00 174.62 171.83 2pkr s MET 172 N -2.77 0.42 -0.04 7.08 0.23 -0.03 -1.35 119.30 122.84 2pkr s MET 172 Ca 0.02 -0.55 0.00 0.00 -1.03 0.00 0.00 55.69 54.13 2pkr s MET 172 Cb -0.02 0.16 0.03 0.00 -1.53 0.00 0.00 34.83 33.47 2pkr s MET 172 CO -0.02 -0.09 0.00 0.99 -2.03 0.00 0.00 175.02 173.87 2pkr s THR 173 N -1.60 0.22 -0.20 3.16 2.01 -0.18 -1.22 115.64 117.84 2pkr s THR 173 Ca -0.14 0.10 -0.03 0.00 0.31 0.00 0.00 61.69 61.93 2pkr s THR 173 Cb -0.08 -0.33 -0.01 0.00 0.01 0.00 0.00 72.50 72.10 2pkr s THR 173 CO -0.00 0.17 -0.08 0.28 -0.69 0.00 0.00 174.62 174.30 2pkr s THR 174 N 1.24 3.18 -0.64 -0.82 -1.32 -0.78 -0.41 115.64 116.09 2pkr s THR 174 Ca -0.07 -0.57 -0.22 0.00 -1.21 0.00 0.00 61.69 59.62 2pkr s THR 174 Cb -0.13 -2.41 0.07 0.00 -1.51 0.00 0.00 72.50 68.51 2pkr s THR 174 CO -0.02 0.46 0.92 -0.89 -2.21 0.00 0.00 174.62 172.88 2pkr s THR 175 N 1.19 4.40 -0.06 5.08 2.01 -0.24 -0.46 115.64 127.57 2pkr s THR 175 Ca 0.02 -0.38 -0.01 0.00 0.31 0.00 0.00 61.69 61.63 2pkr s THR 175 Cb -0.14 -4.64 -0.03 0.00 0.01 0.00 0.00 72.50 67.70 2pkr s THR 175 CO -0.02 -1.37 0.01 -2.28 -0.69 0.00 0.00 174.62 170.27 2pkr s HIS 176 N 3.85 3.16 0.76 4.92 5.04 0.72 -1.69 115.29 132.05 2pkr s HIS 176 Ca 0.21 0.18 -0.13 0.00 -1.54 0.00 0.00 55.06 53.78 2pkr s HIS 176 Cb -0.17 -1.76 0.06 0.00 0.04 0.00 0.00 32.58 30.74 2pkr s HIS 176 CO 0.11 0.48 1.16 -1.12 -2.34 0.00 0.00 174.74 173.03 2pkr s SER 177 N -1.11 4.12 0.72 9.88 0.01 -1.25 -0.51 113.70 125.56 2pkr s SER 177 Ca 0.16 2.19 -0.12 0.00 1.31 0.00 0.00 55.95 59.49 2pkr s SER 177 Cb -0.11 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.57 2pkr s SER 177 CO 0.05 -2.30 1.08 -0.72 0.41 0.00 0.00 173.24 171.76 2pkr s TYR 178 N -2.30 2.77 0.27 2.43 -0.85 -0.76 -4.70 117.35 114.22 2pkr s TYR 178 Ca 0.70 1.51 0.02 0.00 -0.52 0.00 0.00 57.07 58.78 2pkr s TYR 178 Cb -0.25 -3.01 -0.05 0.00 0.38 0.00 0.00 41.96 39.03 2pkr s TYR 178 CO 0.49 -1.56 0.10 0.95 -1.52 0.00 0.00 175.55 174.00 2pkr s THR 179 N -2.82 0.63 0.64 -3.49 -4.23 -1.26 -4.73 115.64 100.38 2pkr s THR 179 Ca 0.61 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.44 2pkr s THR 179 Cb -0.17 -2.64 0.34 0.00 1.34 0.00 0.00 72.50 71.37 2pkr s THR 179 CO 0.52 0.00 2.02 1.23 -0.54 0.00 0.00 174.62 177.85 2pkr h GLY 180 N 2.32 0.00 1.96 3.99 0.00 -1.98 -0.16 103.07 109.19 2pkr h GLY 180 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2pkr h GLY 180 CO 0.61 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.49 2pkr n ASP 181 N -3.17 0.00 -4.97 0.19 2.03 -1.26 -4.75 116.55 104.62 2pkr n ASP 181 Ca -0.00 0.45 -0.22 0.00 0.52 0.00 0.00 54.79 55.54 2pkr n ASP 181 Cb 0.36 -0.48 0.02 0.00 -0.72 0.00 0.00 41.12 40.29 2pkr n ASP 181 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2pkr s GLN 182 N -2.96 2.91 -0.04 -0.67 -0.21 -0.07 -4.95 119.66 113.67 2pkr s GLN 182 Ca 0.09 -0.67 -0.07 0.00 0.02 0.00 0.00 55.36 54.74 2pkr s GLN 182 Cb 0.12 -2.58 -0.04 0.00 1.00 0.00 0.00 33.01 31.50 2pkr s GLN 182 CO 0.32 -0.36 0.22 1.03 -2.12 0.00 0.00 175.29 174.38 2pkr s ARG 183 N -4.56 3.54 0.10 2.91 1.81 -1.09 -4.97 118.95 116.69 2pkr s ARG 183 Ca 0.51 -0.08 -0.19 0.00 -1.72 0.00 0.00 55.73 54.24 2pkr s ARG 183 Cb -0.10 -3.14 -0.07 0.00 -0.45 0.00 0.00 34.95 31.19 2pkr s ARG 183 CO 0.37 0.71 1.61 1.25 -0.68 0.00 0.00 175.30 178.55 2pkr h LEU 184 N 4.41 0.35 -8.90 2.53 5.85 -1.92 -1.80 115.31 115.83 2pkr h LEU 184 Ca -0.52 -0.21 -0.43 0.00 0.84 0.00 0.00 57.88 57.56 2pkr h LEU 184 Cb 1.21 -0.09 -0.14 0.00 0.37 0.00 0.00 40.66 42.01 2pkr h LEU 184 CO 0.63 0.46 -0.71 -0.76 -0.34 0.00 0.00 178.44 177.72 2pkr s LEU 185 N -9.73 2.51 -0.35 2.25 1.43 -1.26 -3.66 118.68 109.86 2pkr s LEU 185 Ca -0.14 -1.06 -0.39 0.00 -1.03 0.00 0.00 54.13 51.51 2pkr s LEU 185 Cb 0.08 -0.59 -0.15 0.00 0.03 0.00 0.00 46.19 45.56 2pkr s LEU 185 CO 0.72 -0.25 1.97 0.47 0.23 0.00 0.00 176.35 179.50 2pkr n ASP 186 N -0.39 1.96 -3.69 2.29 9.92 -1.25 -4.42 116.55 120.97 2pkr n ASP 186 Ca -0.08 0.77 -0.11 0.00 -0.53 0.00 0.00 54.79 54.85 2pkr n ASP 186 Cb 0.61 -1.13 -0.05 0.00 -0.64 0.00 0.00 41.12 39.92 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 5.33 0.11 0.43 2.24 0.00 -0.51 -4.97 121.76 124.38 2pkr s ALA 187 Ca 1.07 -1.11 -0.25 0.00 0.00 0.00 0.00 51.96 51.66 2pkr s ALA 187 Cb -1.09 1.08 -0.09 0.00 0.00 0.00 0.00 23.12 23.02 2pkr s ALA 187 CO 0.61 -0.83 1.33 0.43 0.00 0.00 0.00 175.76 177.30 2pkr n SER 188 N -0.78 2.86 -3.64 0.00 7.64 -1.26 -4.60 113.62 113.84 2pkr n SER 188 Ca -0.01 1.12 -0.08 0.00 1.01 0.00 0.00 58.87 60.90 2pkr n SER 188 Cb 0.62 -1.54 -0.07 0.00 -1.01 0.00 0.00 64.21 62.21 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 -1.19 -0.45 0.44 1.43 5.04 -1.26 -4.88 115.29 114.42 2pkr s HIS 190 Ca 0.61 1.08 0.11 0.00 -1.54 0.00 0.00 55.06 55.32 2pkr s HIS 190 Cb -0.49 0.37 0.98 0.00 0.04 0.00 0.00 32.58 33.48 2pkr s HIS 190 CO 0.58 -0.22 2.06 0.07 -2.34 0.00 0.00 174.74 174.89 2pkr h ARG 191 N 4.25 0.29 -5.02 2.88 0.11 -1.99 -3.36 114.38 111.54 2pkr h ARG 191 Ca -0.28 -0.03 -0.68 0.00 0.10 0.00 0.00 59.98 59.09 2pkr h ARG 191 Cb 1.18 -0.06 -0.18 0.00 1.11 0.00 0.00 29.97 32.02 2pkr h ARG 191 CO 0.12 0.24 -0.02 0.34 0.10 0.00 0.00 179.97 180.75 2pkr s ASP 192 N -6.86 6.24 0.23 0.08 -1.08 -1.26 -4.93 116.67 109.08 2pkr s ASP 192 Ca -0.07 -0.72 0.15 0.00 -0.52 0.00 0.00 52.55 51.39 2pkr s ASP 192 Cb 0.17 -2.27 0.83 0.00 -1.46 0.00 0.00 42.92 40.18 2pkr s ASP 192 CO 0.71 -0.77 1.47 0.18 0.52 0.00 0.00 175.17 177.28 2pkr n LEU 193 N 5.99 0.40 -0.05 -1.34 4.32 -1.26 -1.70 117.00 123.36 2pkr n LEU 193 Ca -0.06 0.68 -0.11 0.00 -0.02 0.00 0.00 56.01 56.50 2pkr n LEU 193 Cb 0.46 -0.73 -0.15 0.00 -1.62 0.00 0.00 43.42 41.39 2pkr n LEU 193 CO 0.51 -0.81 -0.83 0.54 -1.22 0.00 0.00 177.39 175.58 2pkr n ARG 194 N -2.03 0.67 0.03 3.23 1.74 -1.26 -3.94 116.66 115.09 2pkr n ARG 194 Ca -0.01 0.18 0.12 0.00 -0.77 0.00 0.00 57.85 57.38 2pkr n ARG 194 Cb 0.03 -1.67 0.51 0.00 -1.02 0.00 0.00 32.46 30.31 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 -3.02 0.06 0.13 5.56 1.74 -0.69 -2.61 116.66 117.83 2pkr n ARG 195 Ca -0.26 0.12 0.12 0.00 -0.77 0.00 0.00 57.85 57.06 2pkr n ARG 195 Cb 1.08 -1.58 0.48 0.00 -1.02 0.00 0.00 32.46 31.42 2pkr n ARG 195 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pkr n ALA 196 N -1.57 1.81 -2.30 7.54 0.00 -0.85 -2.67 120.51 122.46 2pkr n ALA 196 Ca 0.06 0.06 -0.38 0.00 0.00 0.00 0.00 53.44 53.18 2pkr n ALA 196 Cb 0.31 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 2pkr n ALA 196 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2pkr s ARG 197 N -3.28 4.14 -0.43 0.00 1.81 -1.07 -1.43 118.95 118.69 2pkr s ARG 197 Ca 0.06 0.67 -0.28 0.00 -1.72 0.00 0.00 55.73 54.45 2pkr s ARG 197 Cb 0.10 -3.18 -0.14 0.00 -0.45 0.00 0.00 34.95 31.28 2pkr s ARG 197 CO 0.44 0.61 1.58 0.00 -0.68 0.00 0.00 175.30 177.26 2pkr n ALA 198 N 1.56 0.16 0.19 2.13 0.00 -1.26 -4.57 120.51 118.73 2pkr n ALA 198 Ca -0.10 0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.44 2pkr n ALA 198 Cb 0.51 -1.47 0.44 0.00 0.00 0.00 0.00 19.45 18.92 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 6.74 1.57 -0.12 0.00 0.00 -1.39 -2.60 119.26 123.45 2pkr h ALA 199 Ca -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2pkr h ALA 199 Cb 0.97 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2pkr h ALA 199 CO 0.81 0.32 0.00 0.00 0.00 0.00 0.00 179.25 180.37 2pkr n LEU 201 N 0.37 0.58 -4.21 0.00 4.77 -0.99 -4.79 117.00 112.72 2pkr n LEU 201 Ca 0.17 -0.64 -0.12 0.00 -0.03 0.00 0.00 56.01 55.39 2pkr n LEU 201 Cb 0.36 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 2pkr n LEU 201 CO 0.14 0.13 -0.34 0.20 -1.33 0.00 0.00 177.39 176.19 2pkr s ASN 202 N -1.20 1.09 -0.34 -1.43 -0.87 -1.14 -5.08 114.94 105.97 2pkr s ASN 202 Ca 0.03 -1.12 -0.11 0.00 -1.57 0.00 0.00 52.86 50.09 2pkr s ASN 202 Cb 0.04 0.13 -0.00 0.00 -0.02 0.00 0.00 41.25 41.40 2pkr s ASN 202 CO 0.17 -0.55 0.20 -0.63 -2.57 0.00 0.00 177.10 173.71 2pkr s ILE 203 N -3.69 4.86 -0.33 0.60 1.01 -1.26 -4.12 121.20 118.27 2pkr s ILE 203 Ca 0.20 -0.44 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 2pkr s ILE 203 Cb 0.06 -3.54 0.04 0.00 0.01 0.00 0.00 42.46 39.03 2pkr s ILE 203 CO 0.01 -0.03 0.09 -0.69 0.00 0.00 0.00 174.94 174.31 2pkr s VAL 204 N 1.64 3.65 0.18 2.92 1.01 0.21 -4.91 120.40 125.11 2pkr s VAL 204 Ca 0.05 -1.16 -0.30 0.00 0.00 0.00 0.00 61.98 60.56 2pkr s VAL 204 Cb -0.18 -3.07 -0.08 0.00 0.00 0.00 0.00 36.38 33.06 2pkr s VAL 204 CO 0.08 -0.16 0.96 -2.84 0.00 0.00 0.00 175.10 173.14 2pkr s PRO 205 N 1.38 4.77 0.00 2.72 0.02 -1.26 0.23 135.00 142.86 2pkr s PRO 205 Ca -0.02 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.49 2pkr s PRO 205 Cb -0.19 -3.32 0.00 0.00 0.02 0.00 0.00 34.50 31.01 2pkr s PRO 205 CO 0.02 0.35 0.00 -2.37 -0.33 0.00 0.00 177.00 174.67 2pkr n THR 206 N 2.11 0.00 -3.75 0.99 5.66 0.15 -4.73 114.28 114.71 2pkr n THR 206 Ca 0.00 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.76 2pkr n THR 206 Cb 0.48 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.25 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 1.47 4.75 0.23 1.09 1.04 -1.26 -1.82 113.70 119.19 2pkr s SER 207 Ca 0.00 -1.10 -0.18 0.00 0.48 0.00 0.00 55.95 55.15 2pkr s SER 207 Cb 0.00 0.17 0.02 0.00 0.10 0.00 0.00 66.02 66.32 2pkr s SER 207 CO 0.00 -1.02 0.58 0.28 0.98 0.00 0.00 173.24 174.06 2pkr s THR 208 N -2.70 0.01 0.00 2.02 -1.32 -1.26 -4.33 115.64 108.06 2pkr s THR 208 Ca 0.40 -0.90 0.00 0.00 -1.21 0.00 0.00 61.69 59.98 2pkr s THR 208 Cb -0.02 -1.77 0.00 0.00 -1.51 0.00 0.00 72.50 69.20 2pkr s THR 208 CO 0.24 -0.06 0.88 0.61 -2.21 0.00 0.00 174.62 174.09 2pkr n GLY 209 N -0.38 1.85 0.39 6.08 0.00 -1.26 -4.79 105.19 107.07 2pkr n GLY 209 Ca -0.07 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 2.19 0.75 4.61 0.00 -1.96 0.13 119.26 124.97 2pkr h ALA 210 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2pkr h ALA 210 Cb 0.50 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2pkr h ALA 210 CO 0.00 -0.42 -0.36 0.00 0.00 0.00 0.00 179.25 178.47 2pkr h ALA 211 N 1.63 -1.00 -0.01 0.00 0.00 -1.91 0.12 119.26 118.09 2pkr h ALA 211 Ca 0.40 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 2pkr h ALA 211 Cb 1.00 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 2pkr h ALA 211 CO -0.13 -0.97 -0.67 1.57 0.00 0.00 0.00 179.25 179.05 2pkr h LYS 212 N -1.18 0.03 -0.11 0.00 2.10 -1.74 -3.02 116.57 112.65 2pkr h LYS 212 Ca -0.10 -0.02 -0.08 0.00 -2.00 0.00 0.00 60.65 58.44 2pkr h LYS 212 Cb 0.79 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.11 2pkr h LYS 212 CO 0.17 0.68 -0.31 0.00 -2.00 0.00 0.00 179.45 177.99 2pkr h ALA 213 N 1.31 1.29 -0.88 0.07 0.00 -0.66 -2.41 119.26 117.97 2pkr h ALA 213 Ca -0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2pkr h ALA 213 Cb 1.18 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 2pkr h ALA 213 CO 0.09 0.49 0.54 0.28 0.00 0.00 0.00 179.25 180.65 2pkr h VAL 214 N 0.18 1.24 0.00 0.00 2.07 -0.62 -1.29 116.25 117.82 2pkr h VAL 214 Ca 0.02 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 2pkr h VAL 214 Cb 0.64 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2pkr h VAL 214 CO 0.05 0.25 -0.04 0.00 0.02 0.00 0.00 177.57 177.85 2pkr h ALA 215 N 1.29 1.75 -0.42 1.67 0.00 -1.48 0.24 119.26 122.32 2pkr h ALA 215 Ca 0.32 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 2pkr h ALA 215 Cb -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2pkr h ALA 215 CO -0.06 0.04 -0.07 -0.07 0.00 0.00 0.00 179.25 179.09 2pkr h LEU 216 N 0.00 0.78 0.00 0.00 3.38 -1.12 -2.37 115.31 115.98 2pkr h LEU 216 Ca -0.00 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2pkr h LEU 216 Cb 0.07 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2pkr h LEU 216 CO 0.00 0.95 -0.86 1.33 0.09 0.00 0.00 178.44 179.95 2pkr n VAL 217 N -4.34 0.19 -3.54 1.22 0.24 -0.68 -4.45 118.33 106.96 2pkr n VAL 217 Ca -0.01 -0.21 -0.28 0.00 -2.04 0.00 0.00 64.34 61.80 2pkr n VAL 217 Cb 0.35 0.15 -0.11 0.00 -1.47 0.00 0.00 33.84 32.76 2pkr n VAL 217 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2pkr s LEU 218 N -3.86 2.30 0.47 1.34 1.43 0.77 -4.57 118.68 116.56 2pkr s LEU 218 Ca 0.05 -3.16 0.27 0.00 -1.03 0.00 0.00 54.13 50.27 2pkr s LEU 218 Cb 0.15 -0.77 1.33 0.00 0.03 0.00 0.00 46.19 46.93 2pkr s LEU 218 CO 0.77 -0.17 1.79 -0.65 0.23 0.00 0.00 176.35 178.32 2pkr h PRO 219 N 5.76 0.18 0.00 1.29 0.11 -1.64 -0.79 132.00 136.91 2pkr h PRO 219 Ca 0.20 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 2pkr h PRO 219 Cb 0.88 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 2pkr h PRO 219 CO 0.46 0.12 -0.01 -0.97 -0.21 0.00 0.00 178.00 177.39 2pkr h ASN 220 N 0.19 0.00 -0.09 -2.05 -1.24 -1.95 -1.46 115.58 108.98 2pkr h ASN 220 Ca 0.58 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.59 2pkr h ASN 220 Cb 1.89 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.94 2pkr h ASN 220 CO -0.16 0.01 0.00 0.18 -1.29 0.00 0.00 177.43 176.17 2pkr n LEU 221 N -3.15 1.80 -4.62 0.34 7.99 -0.30 -4.93 117.00 114.13 2pkr n LEU 221 Ca -0.02 -0.67 -0.51 0.00 -0.01 0.00 0.00 56.01 54.80 2pkr n LEU 221 Cb 0.13 -0.05 -0.06 0.00 -0.11 0.00 0.00 43.42 43.33 2pkr n LEU 221 CO 0.22 0.33 1.02 1.17 -1.51 0.00 0.00 177.39 178.63 2pkr n LYS 222 N 0.41 1.39 -0.89 3.23 0.00 -0.55 -1.25 118.16 120.49 2pkr n LYS 222 Ca 0.18 0.50 0.00 0.00 0.00 0.00 0.00 58.31 58.99 2pkr n LYS 222 Cb 0.38 -2.18 0.00 0.00 0.00 0.00 0.00 35.03 33.23 2pkr n LYS 222 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pkr n GLY 223 N 2.90 0.20 0.02 3.14 0.00 -1.26 -4.84 105.19 105.35 2pkr n GLY 223 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.75 0.33 -4.28 1.61 5.02 -0.38 -4.99 118.16 114.71 2pkr n LYS 224 Ca 0.00 -0.07 -0.16 0.00 -2.02 0.00 0.00 58.31 56.07 2pkr n LYS 224 Cb 0.24 -1.54 -0.10 0.00 -0.02 0.00 0.00 35.03 33.61 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 -3.86 2.53 0.21 -0.35 1.43 -1.26 -0.84 118.68 116.55 2pkr s LEU 225 Ca 0.01 -1.00 -0.23 0.00 -1.03 0.00 0.00 54.13 51.88 2pkr s LEU 225 Cb 0.15 -0.48 0.04 0.00 0.03 0.00 0.00 46.19 45.93 2pkr s LEU 225 CO 0.86 -0.26 0.73 0.21 0.23 0.00 0.00 176.35 178.11 2pkr s ASN 226 N -3.18 -0.34 0.00 2.29 2.47 -1.13 -4.53 114.94 110.52 2pkr s ASN 226 Ca 0.18 -0.37 0.00 0.00 0.42 0.00 0.00 52.86 53.09 2pkr s ASN 226 Cb 0.01 0.64 0.00 0.00 -1.45 0.00 0.00 41.25 40.45 2pkr s ASN 226 CO 0.03 -1.14 0.00 0.61 -3.72 0.00 0.00 177.10 172.88 2pkr n GLY 227 N -0.43 -1.21 3.55 1.21 0.00 -1.26 -0.85 105.19 106.20 2pkr n GLY 227 Ca -0.08 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.00 0.00 0.09 -0.61 -5.25 -0.35 -4.63 121.20 107.44 2pkr s ILE 228 Ca 0.00 -1.49 0.07 0.00 -0.99 0.00 0.00 60.65 58.24 2pkr s ILE 228 Cb 0.00 -2.67 -0.03 0.00 2.95 0.00 0.00 42.46 42.71 2pkr s ILE 228 CO 0.00 0.00 -0.19 0.00 -1.79 0.00 0.00 174.94 172.96 2pkr s ALA 229 N -2.94 1.60 -0.27 2.27 0.00 -0.75 -1.86 121.76 119.80 2pkr s ALA 229 Ca 0.28 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 51.08 2pkr s ALA 229 Cb -0.01 -0.19 0.07 0.00 0.00 0.00 0.00 23.12 22.99 2pkr s ALA 229 CO 0.18 0.29 -0.02 -0.51 0.00 0.00 0.00 175.76 175.71 2pkr s LEU 230 N -1.87 3.17 0.01 0.00 1.43 0.40 -0.67 118.68 121.14 2pkr s LEU 230 Ca 0.04 -1.49 -0.28 0.00 -1.03 0.00 0.00 54.13 51.36 2pkr s LEU 230 Cb -0.10 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 2pkr s LEU 230 CO 0.04 -0.28 0.90 -0.13 0.23 0.00 0.00 176.35 177.11 2pkr s ARG 231 N 1.26 4.55 0.26 1.70 1.81 0.14 -0.20 118.95 128.47 2pkr s ARG 231 Ca -0.01 1.29 0.07 0.00 -1.72 0.00 0.00 55.73 55.37 2pkr s ARG 231 Cb -0.19 -3.43 -0.05 0.00 -0.45 0.00 0.00 34.95 30.82 2pkr s ARG 231 CO -0.09 0.05 -0.09 0.14 -0.68 0.00 0.00 175.30 174.63 2pkr s VAL 232 N 0.70 1.69 -0.01 3.52 -7.23 0.33 0.65 120.40 120.05 2pkr s VAL 232 Ca 0.47 -2.16 -0.01 0.00 -1.81 0.00 0.00 61.98 58.47 2pkr s VAL 232 Cb -0.21 -2.33 -0.06 0.00 0.56 0.00 0.00 36.38 34.34 2pkr s VAL 232 CO 0.26 -0.38 1.17 -2.65 -0.31 0.00 0.00 175.10 173.19 2pkr n PRO 233 N -0.53 0.44 -4.74 4.82 -0.02 -1.26 -2.89 135.00 130.82 2pkr n PRO 233 Ca -0.06 -0.24 -0.24 0.00 -2.02 0.00 0.00 63.50 60.94 2pkr n PRO 233 Cb 0.62 -1.63 -0.15 0.00 -0.02 0.00 0.00 33.50 32.33 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 2.65 1.33 -0.06 3.45 -4.23 -1.26 -5.00 115.64 112.52 2pkr s THR 234 Ca 0.14 -0.79 0.29 0.00 -1.18 0.00 0.00 61.69 60.16 2pkr s THR 234 Cb 0.07 -1.12 0.35 0.00 1.34 0.00 0.00 72.50 73.14 2pkr s THR 234 CO -0.00 0.32 1.84 1.55 -0.54 0.00 0.00 174.62 177.80 2pkr h PRO 235 N 5.57 0.00 -1.64 3.99 0.13 -1.88 -2.02 132.00 136.16 2pkr h PRO 235 Ca -0.37 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.82 2pkr h PRO 235 Cb 1.16 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.06 2pkr h PRO 235 CO 0.48 0.04 0.47 1.21 -0.23 0.00 0.00 178.00 179.97 2pkr s ASN 236 N -5.92 -0.43 0.00 1.44 2.47 -1.26 -4.66 114.94 106.58 2pkr s ASN 236 Ca 0.03 0.53 0.00 0.00 0.42 0.00 0.00 52.86 53.84 2pkr s ASN 236 Cb 0.08 0.43 0.00 0.00 -1.45 0.00 0.00 41.25 40.31 2pkr s ASN 236 CO 0.60 -0.35 0.00 0.52 -3.72 0.00 0.00 177.10 174.14 2pkr n VAL 237 N 0.99 -0.35 -4.34 -5.21 0.31 -1.26 -4.88 118.33 103.58 2pkr n VAL 237 Ca -0.12 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.03 2pkr n VAL 237 Cb 0.57 -0.35 -0.10 0.00 -0.91 0.00 0.00 33.84 33.05 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 -0.23 1.42 -0.08 4.52 0.01 0.76 -3.74 113.70 116.36 2pkr s SER 238 Ca 0.00 -1.47 -0.05 0.00 1.31 0.00 0.00 55.95 55.75 2pkr s SER 238 Cb 0.00 0.26 0.03 0.00 0.21 0.00 0.00 66.02 66.53 2pkr s SER 238 CO 0.00 -0.80 0.19 0.54 0.41 0.00 0.00 173.24 173.58 2pkr s VAL 239 N -3.66 -0.03 -0.11 3.43 0.11 -0.68 -1.00 120.40 118.46 2pkr s VAL 239 Ca 0.36 0.11 -0.09 0.00 -2.93 0.00 0.00 61.98 59.44 2pkr s VAL 239 Cb 0.06 -0.29 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 2pkr s VAL 239 CO 0.15 0.05 0.18 0.68 -3.33 0.00 0.00 175.10 172.83 2pkr s VAL 240 N 0.84 5.42 -0.29 2.04 -7.23 -0.11 -1.08 120.40 120.00 2pkr s VAL 240 Ca -0.06 0.31 -0.01 0.00 -1.81 0.00 0.00 61.98 60.42 2pkr s VAL 240 Cb -0.08 -3.46 0.05 0.00 0.56 0.00 0.00 36.38 33.45 2pkr s VAL 240 CO -0.05 0.59 -0.03 -0.62 -0.31 0.00 0.00 175.10 174.69 2pkr s ASP 241 N -0.89 4.76 -0.12 4.85 2.15 0.45 -1.14 116.67 126.74 2pkr s ASP 241 Ca 0.16 -1.29 0.00 0.00 0.43 0.00 0.00 52.55 51.85 2pkr s ASP 241 Cb -0.13 -1.67 -0.02 0.00 -0.30 0.00 0.00 42.92 40.81 2pkr s ASP 241 CO 0.05 -0.24 -0.13 -0.22 -0.17 0.00 0.00 175.17 174.46 2pkr s LEU 242 N 1.22 2.71 -0.15 -1.34 2.96 -0.63 -1.01 118.68 122.44 2pkr s LEU 242 Ca -0.06 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 2pkr s LEU 242 Cb -0.20 -1.60 0.02 0.00 0.50 0.00 0.00 46.19 44.91 2pkr s LEU 242 CO -0.02 0.19 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.35 2pkr s VAL 243 N 0.18 1.68 0.03 1.68 1.01 -0.45 -0.50 120.40 124.02 2pkr s VAL 243 Ca -0.08 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.21 2pkr s VAL 243 Cb -0.15 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 2pkr s VAL 243 CO 0.05 0.48 -0.07 0.68 0.00 0.00 0.00 175.10 176.24 2pkr s VAL 244 N 1.35 0.45 -0.16 2.92 -7.23 -0.27 -0.64 120.40 116.82 2pkr s VAL 244 Ca 0.03 -0.91 -0.13 0.00 -1.81 0.00 0.00 61.98 59.16 2pkr s VAL 244 Cb -0.13 -0.51 -0.05 0.00 0.56 0.00 0.00 36.38 36.25 2pkr s VAL 244 CO -0.10 -0.32 0.25 -1.58 -0.31 0.00 0.00 175.10 173.05 2pkr s GLN 245 N -1.32 4.20 0.33 4.82 0.74 0.06 -0.32 119.66 128.16 2pkr s GLN 245 Ca -0.09 0.02 0.08 0.00 0.05 0.00 0.00 55.36 55.42 2pkr s GLN 245 Cb -0.09 -3.41 -0.04 0.00 1.10 0.00 0.00 33.01 30.57 2pkr s GLN 245 CO 0.00 0.29 0.13 0.14 -0.55 0.00 0.00 175.29 175.30 2pkr s VAL 246 N 0.34 3.17 0.03 1.34 -7.23 0.22 -0.68 120.40 117.59 2pkr s VAL 246 Ca 0.14 -1.70 0.05 0.00 -1.81 0.00 0.00 61.98 58.67 2pkr s VAL 246 Cb -0.13 -2.98 -0.24 0.00 0.56 0.00 0.00 36.38 33.59 2pkr s VAL 246 CO 0.03 -0.22 0.96 0.77 -0.31 0.00 0.00 175.10 176.33 2pkr h SER 247 N 1.58 0.12 -3.70 4.85 4.64 0.25 -3.45 113.55 117.85 2pkr h SER 247 Ca -0.44 -0.17 -0.64 0.00 -0.47 0.00 0.00 61.79 60.06 2pkr h SER 247 Cb 1.25 -0.04 -0.16 0.00 -0.31 0.00 0.00 62.40 63.14 2pkr h SER 247 CO 0.62 1.14 -0.25 -1.59 -0.87 0.00 0.00 176.83 175.89 2pkr s LYS 248 N -2.65 3.80 0.40 4.77 -2.85 -0.87 -5.05 119.74 117.30 2pkr s LYS 248 Ca -0.04 -0.18 -0.25 0.00 -1.00 0.00 0.00 55.97 54.51 2pkr s LYS 248 Cb 0.08 -3.73 -0.11 0.00 -2.06 0.00 0.00 37.83 32.01 2pkr s LYS 248 CO 0.83 -0.41 0.97 1.63 0.10 0.00 0.00 175.35 178.48 2pkr n LYS 249 N 5.38 1.28 -1.20 1.78 5.02 -1.26 -4.87 118.16 124.28 2pkr n LYS 249 Ca -0.09 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 2pkr n LYS 249 Cb 0.50 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 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 -0.43 0.00 -3.84 -0.18 5.66 0.11 -5.01 114.28 110.59 2pkr n THR 250 Ca 0.10 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.00 2pkr n THR 250 Cb 0.38 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.08 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 -6.90 0.09 0.24 1.09 -0.71 -1.26 -4.60 117.98 105.93 2pkr s PHE 251 Ca 0.00 -0.40 -0.08 0.00 -1.04 0.00 0.00 56.93 55.42 2pkr s PHE 251 Cb 0.00 -0.03 0.41 0.00 -1.21 0.00 0.00 43.02 42.18 2pkr s PHE 251 CO 0.00 -0.48 1.64 0.00 -1.34 0.00 0.00 175.22 175.03 2pkr h ALA 252 N 3.13 0.74 0.00 1.99 0.00 -1.88 -1.52 119.26 121.73 2pkr h ALA 252 Ca -0.33 0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2pkr h ALA 252 Cb 1.20 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 2pkr h ALA 252 CO 0.52 -0.42 -0.37 0.93 0.00 0.00 0.00 179.25 179.90 2pkr h GLU 253 N 0.10 0.00 -0.28 0.00 4.39 -1.95 -1.34 114.58 115.49 2pkr h GLU 253 Ca 0.40 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.95 2pkr h GLU 253 Cb 0.68 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2pkr h GLU 253 CO -0.64 0.37 -0.41 1.49 -1.16 0.00 0.00 179.01 178.66 2pkr h GLU 254 N 0.00 0.78 -0.43 2.33 4.81 -1.72 -0.52 114.58 119.82 2pkr h GLU 254 Ca -0.00 -0.46 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 2pkr h GLU 254 Cb 0.72 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 2pkr h GLU 254 CO 0.05 1.08 0.23 0.28 -0.73 0.00 0.00 179.01 179.93 2pkr h VAL 255 N 0.53 1.16 -0.71 0.32 2.07 -1.07 -0.46 116.25 118.08 2pkr h VAL 255 Ca 0.03 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2pkr h VAL 255 Cb 1.00 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 2pkr h VAL 255 CO 0.09 0.17 0.41 0.78 0.02 0.00 0.00 177.57 179.04 2pkr h ASN 256 N 0.56 0.88 -0.76 0.57 -0.26 -1.11 -1.82 115.58 113.63 2pkr h ASN 256 Ca 0.15 -0.08 0.04 0.00 -0.56 0.00 0.00 56.30 55.85 2pkr h ASN 256 Cb 0.06 -0.22 -0.05 0.00 -1.06 0.00 0.00 38.32 37.05 2pkr h ASN 256 CO -0.02 0.70 0.48 0.00 -1.06 0.00 0.00 177.43 177.53 2pkr h ALA 257 N 1.21 1.01 -0.93 -0.83 0.00 -0.50 -1.27 119.26 117.95 2pkr h ALA 257 Ca 0.25 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2pkr h ALA 257 Cb 0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 2pkr h ALA 257 CO -0.04 0.26 0.61 0.00 0.00 0.00 0.00 179.25 180.08 2pkr h ALA 258 N 1.33 1.22 -0.61 0.00 0.00 -0.28 -1.33 119.26 119.59 2pkr h ALA 258 Ca 0.31 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 2pkr h ALA 258 Cb 0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2pkr h ALA 258 CO -0.12 0.50 0.02 0.74 0.00 0.00 0.00 179.25 180.39 2pkr h PHE 259 N 1.20 1.15 -0.56 0.00 0.04 -0.78 -2.84 116.94 115.15 2pkr h PHE 259 Ca 0.36 -0.19 -0.07 0.00 2.80 0.00 0.00 57.97 60.87 2pkr h PHE 259 Cb -0.04 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 37.78 2pkr h PHE 259 CO -0.01 1.00 0.05 0.00 -0.60 0.00 0.00 178.31 178.76 2pkr h ARG 260 N 0.97 0.93 -0.17 1.51 3.08 -0.31 -0.18 114.38 120.20 2pkr h ARG 260 Ca 0.18 -0.25 0.03 0.00 0.07 0.00 0.00 59.98 60.01 2pkr h ARG 260 Cb 0.54 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 2pkr h ARG 260 CO 0.03 0.89 -0.00 1.49 -1.07 0.00 0.00 179.97 181.30 2pkr h GLU 261 N 0.87 0.05 -0.42 0.04 4.22 -1.12 -0.66 114.58 117.56 2pkr h GLU 261 Ca 0.17 -0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.56 2pkr h GLU 261 Cb 0.44 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2pkr h GLU 261 CO 0.02 0.03 0.06 0.77 -2.18 0.00 0.00 179.01 177.71 2pkr h SER 262 N 0.05 0.68 -0.82 1.04 0.02 -1.32 -2.47 113.55 110.73 2pkr h SER 262 Ca 0.08 -0.27 0.08 0.00 -0.84 0.00 0.00 61.79 60.84 2pkr h SER 262 Cb 0.10 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.40 2pkr h SER 262 CO -0.14 0.78 0.53 0.00 -1.14 0.00 0.00 176.83 176.86 2pkr h ALA 263 N 0.93 1.65 -0.00 3.77 0.00 -0.63 0.27 119.26 125.24 2pkr h ALA 263 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2pkr h ALA 263 Cb 0.39 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2pkr h ALA 263 CO 0.01 0.20 -0.17 -0.25 0.00 0.00 0.00 179.25 179.04 2pkr n ASP 264 N -4.50 0.47 0.00 0.00 8.00 -0.29 -2.94 116.55 117.29 2pkr n ASP 264 Ca 0.13 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.23 2pkr n ASP 264 Cb 0.26 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 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 -1.09 0.00 0.30 -2.24 3.02 -0.18 -4.82 115.26 110.25 2pkr n ASN 265 Ca 0.12 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.82 2pkr n ASN 265 Cb 0.30 0.00 0.91 0.00 -0.61 0.00 0.00 39.78 40.39 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 -0.37 3.52 9.09 -1.78 -2.39 114.58 122.65 2pkr h GLU 266 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 2pkr h GLU 266 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 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 -3.86 4.52 -4.70 3.06 4.77 0.77 -4.99 117.00 116.56 2pkr n LEU 267 Ca -0.03 -3.04 -0.43 0.00 -0.03 0.00 0.00 56.01 52.48 2pkr n LEU 267 Cb 0.08 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.54 2pkr n LEU 267 CO 0.28 0.69 1.34 1.17 -1.33 0.00 0.00 177.39 179.54 2pkr n LYS 268 N -0.21 2.59 -0.25 3.23 4.81 -0.90 -0.85 118.16 126.57 2pkr n LYS 268 Ca 0.25 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.62 2pkr n LYS 268 Cb 1.01 -2.77 0.00 0.00 0.02 0.00 0.00 35.03 33.29 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 3.87 1.56 0.12 3.14 0.00 -1.26 -4.79 105.19 107.83 2pkr n GLY 269 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 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 0.29 -4.86 -0.61 2.08 -0.03 -4.26 119.36 109.97 2pkr n ILE 270 Ca 0.00 -0.11 -0.25 0.00 0.56 0.00 0.00 62.75 62.95 2pkr n ILE 270 Cb 0.00 -0.79 -0.15 0.00 -0.75 0.00 0.00 39.64 37.95 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 -5.42 2.05 0.18 1.39 2.96 -0.38 -0.81 118.68 118.65 2pkr s LEU 271 Ca -0.07 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2pkr s LEU 271 Cb 0.02 -0.95 -0.05 0.00 0.50 0.00 0.00 46.19 45.71 2pkr s LEU 271 CO 0.11 0.22 -0.01 -0.44 -1.32 0.00 0.00 176.35 174.91 2pkr s SER 272 N -0.51 1.39 -0.10 3.68 0.01 -0.47 -4.55 113.70 113.15 2pkr s SER 272 Ca 0.07 -1.16 -0.00 0.00 1.31 0.00 0.00 55.95 56.17 2pkr s SER 272 Cb -0.07 0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.26 2pkr s SER 272 CO -0.00 -0.53 -0.07 -0.69 0.41 0.00 0.00 173.24 172.35 2pkr s VAL 273 N -3.58 0.93 -0.19 3.43 1.01 -1.26 -0.90 120.40 119.83 2pkr s VAL 273 Ca 0.24 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 2pkr s VAL 273 Cb 0.06 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 2pkr s VAL 273 CO 0.04 0.34 -0.01 0.00 0.00 0.00 0.00 175.10 175.47 2pkr n ASP 275 N 4.13 3.54 -4.85 0.00 8.00 -1.26 -2.06 116.55 124.05 2pkr n ASP 275 Ca -0.17 -1.99 -0.36 0.00 0.71 0.00 0.00 54.79 52.98 2pkr n ASP 275 Cb 0.52 -0.30 -0.06 0.00 -0.02 0.00 0.00 41.12 41.26 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 3.90 -1.33 -1.24 0.41 -1.26 -4.87 118.70 112.96 2pkr s GLU 276 Ca 0.40 0.37 -0.17 0.00 -0.41 0.00 0.00 54.97 55.16 2pkr s GLU 276 Cb 0.23 -3.03 0.03 0.00 -1.78 0.00 0.00 34.13 29.58 2pkr s GLU 276 CO 0.31 0.56 1.99 -0.35 -0.49 0.00 0.00 175.26 177.28 2pkr n PRO 277 N 1.09 2.82 -2.92 0.39 -0.04 -1.26 -4.92 135.00 130.15 2pkr n PRO 277 Ca -0.08 -2.82 -0.18 0.00 -0.04 0.00 0.00 63.50 60.38 2pkr n PRO 277 Cb 0.52 -3.38 0.02 0.00 -0.04 0.00 0.00 33.50 30.63 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 3.49 3.51 0.32 1.53 1.43 -1.26 -5.14 118.68 122.57 2pkr s LEU 278 Ca 0.52 -0.37 0.06 0.00 -1.03 0.00 0.00 54.13 53.31 2pkr s LEU 278 Cb 0.09 -2.60 -0.06 0.00 0.03 0.00 0.00 46.19 43.64 2pkr s LEU 278 CO 0.01 -0.92 -0.01 0.68 0.23 0.00 0.00 176.35 176.34 2pkr s VAL 279 N -2.48 1.59 0.28 -1.59 -7.23 -1.26 -5.05 120.40 104.65 2pkr s VAL 279 Ca 0.56 -2.07 -0.05 0.00 -1.81 0.00 0.00 61.98 58.62 2pkr s VAL 279 Cb -0.10 -2.67 0.38 0.00 0.56 0.00 0.00 36.38 34.56 2pkr s VAL 279 CO 0.35 -0.15 1.59 0.77 -0.31 0.00 0.00 175.10 177.35 2pkr h SER 280 N 2.12 -0.60 -0.83 4.85 4.64 -1.98 -0.90 113.55 120.85 2pkr h SER 280 Ca -0.41 0.26 0.18 0.00 -0.47 0.00 0.00 61.79 61.35 2pkr h SER 280 Cb 1.24 0.49 -0.06 0.00 -0.31 0.00 0.00 62.40 63.76 2pkr h SER 280 CO 0.71 -0.29 0.56 -0.29 -0.87 0.00 0.00 176.83 176.64 2pkr h ILE 281 N 0.03 0.72 0.00 0.95 6.09 -1.97 -0.61 117.51 122.71 2pkr h ILE 281 Ca 0.50 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.86 2pkr h ILE 281 Cb 0.90 0.31 0.00 0.00 0.47 0.00 0.00 36.82 38.50 2pkr h ILE 281 CO -0.88 0.07 0.00 0.44 -3.07 0.00 0.00 178.15 174.71 2pkr h ASP 282 N 0.37 0.00 -0.35 2.19 3.32 -1.57 -2.42 116.42 117.96 2pkr h ASP 282 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 2pkr h ASP 282 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 2pkr h ASP 282 CO -0.14 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 177.87 2pkr n PHE 283 N -2.72 0.46 -1.99 4.55 3.72 -0.24 -4.94 117.46 116.30 2pkr n PHE 283 Ca 0.00 -0.23 -0.40 0.00 -0.05 0.00 0.00 57.45 56.77 2pkr n PHE 283 Cb 0.20 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.73 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 -1.54 4.08 -1.71 -1.08 0.52 -0.91 -3.00 118.95 115.31 2pkr s ARG 284 Ca 0.36 2.29 0.00 0.00 -0.52 0.00 0.00 55.73 57.87 2pkr s ARG 284 Cb 0.20 -2.89 0.00 0.00 0.52 0.00 0.00 34.95 32.79 2pkr s ARG 284 CO 0.28 -0.45 0.00 0.00 0.02 0.00 0.00 175.30 175.16 2pkr s THR 286 N -2.91 4.74 -0.12 0.00 -4.23 -1.16 -4.98 115.64 106.98 2pkr s THR 286 Ca 0.00 1.38 0.19 0.00 -1.18 0.00 0.00 61.69 62.08 2pkr s THR 286 Cb 0.00 -3.99 0.17 0.00 1.34 0.00 0.00 72.50 70.02 2pkr s THR 286 CO 0.00 0.47 1.60 0.44 -0.54 0.00 0.00 174.62 176.58 2pkr h ASP 287 N 5.09 0.00 -3.84 3.99 3.32 -1.93 -3.33 116.42 119.72 2pkr h ASP 287 Ca -0.47 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.12 2pkr h ASP 287 Cb 1.21 0.00 0.17 0.00 0.22 0.00 0.00 39.33 40.93 2pkr h ASP 287 CO 0.67 0.32 0.17 0.68 -1.72 0.00 0.00 179.24 179.37 2pkr s VAL 288 N -3.22 2.29 -0.14 -1.35 -7.23 -1.26 -4.80 120.40 104.69 2pkr s VAL 288 Ca 0.03 0.10 0.19 0.00 -1.81 0.00 0.00 61.98 60.49 2pkr s VAL 288 Cb 0.08 -2.44 -0.15 0.00 0.56 0.00 0.00 36.38 34.42 2pkr s VAL 288 CO 0.70 -0.12 0.72 -1.20 -0.31 0.00 0.00 175.10 174.89 2pkr n SER 289 N -4.25 0.60 -3.72 4.85 7.64 0.01 -4.62 113.62 114.14 2pkr n SER 289 Ca 0.06 0.26 -0.13 0.00 1.01 0.00 0.00 58.87 60.07 2pkr n SER 289 Cb 0.55 0.65 -0.10 0.00 -1.01 0.00 0.00 64.21 64.31 2pkr n SER 289 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2pkr s SER 290 N -5.42 -0.47 -0.15 6.43 0.15 -0.81 -4.03 113.70 109.39 2pkr s SER 290 Ca -0.04 0.89 -0.01 0.00 0.70 0.00 0.00 55.95 57.49 2pkr s SER 290 Cb 0.10 0.89 0.04 0.00 -1.71 0.00 0.00 66.02 65.34 2pkr s SER 290 CO 0.83 -0.16 -0.04 -0.89 1.20 0.00 0.00 173.24 174.18 2pkr s THR 291 N 0.34 0.92 0.12 6.45 2.01 -0.09 -1.37 115.64 124.03 2pkr s THR 291 Ca -0.01 -0.49 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 2pkr s THR 291 Cb -0.04 -1.13 -0.06 0.00 0.01 0.00 0.00 72.50 71.29 2pkr s THR 291 CO -0.01 0.12 1.03 -0.63 -0.69 0.00 0.00 174.62 174.45 2pkr s ILE 292 N 1.72 4.26 -0.93 1.82 -1.09 -0.08 0.80 121.20 127.70 2pkr s ILE 292 Ca 0.01 1.86 -0.15 0.00 -2.23 0.00 0.00 60.65 60.14 2pkr s ILE 292 Cb -0.15 -4.19 0.19 0.00 -1.58 0.00 0.00 42.46 36.73 2pkr s ILE 292 CO -0.07 0.28 0.99 -0.62 -1.23 0.00 0.00 174.94 174.29 2pkr s ASP 293 N 0.10 6.80 0.33 3.58 -1.08 -0.19 -0.31 116.67 125.90 2pkr s ASP 293 Ca 0.49 -2.56 0.10 0.00 -0.52 0.00 0.00 52.55 50.05 2pkr s ASP 293 Cb -0.26 -2.30 0.87 0.00 -1.46 0.00 0.00 42.92 39.77 2pkr s ASP 293 CO 0.31 -0.74 1.75 0.77 0.52 0.00 0.00 175.17 177.78 2pkr h SER 294 N 8.02 0.68 0.49 -0.34 4.64 -1.71 -1.20 113.55 124.12 2pkr h SER 294 Ca 0.15 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2pkr h SER 294 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2pkr h SER 294 CO 0.95 0.16 0.00 -1.54 -0.87 0.00 0.00 176.83 175.54 2pkr n SER 295 N -4.80 0.00 -0.32 4.97 3.41 -1.26 -2.47 113.62 113.14 2pkr n SER 295 Ca 0.25 0.21 0.11 0.00 -0.26 0.00 0.00 58.87 59.18 2pkr n SER 295 Cb 0.70 -0.37 -0.02 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.37 1.63 -4.72 1.04 4.77 -0.46 -4.94 117.00 112.96 2pkr n LEU 296 Ca 0.07 -0.64 -0.42 0.00 -0.03 0.00 0.00 56.01 55.00 2pkr n LEU 296 Cb 0.18 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 2pkr n LEU 296 CO 0.16 0.32 1.10 -0.89 -1.33 0.00 0.00 177.39 176.75 2pkr s THR 297 N -2.65 3.08 0.10 -5.08 2.01 -1.03 -4.71 115.64 107.36 2pkr s THR 297 Ca 0.15 0.80 0.05 0.00 0.31 0.00 0.00 61.69 63.00 2pkr s THR 297 Cb 0.17 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 2pkr s THR 297 CO 0.67 0.07 -0.12 -0.04 -0.69 0.00 0.00 174.62 174.51 2pkr s MET 298 N 0.88 0.91 -0.04 4.92 -1.94 -0.80 -4.83 119.30 118.40 2pkr s MET 298 Ca 0.65 -1.16 -0.01 0.00 -1.71 0.00 0.00 55.69 53.46 2pkr s MET 298 Cb -0.39 -0.72 0.03 0.00 2.01 0.00 0.00 34.83 35.75 2pkr s MET 298 CO 0.32 0.13 0.02 0.08 -0.01 0.00 0.00 175.02 175.56 2pkr s VAL 299 N -2.14 0.16 -0.01 -6.03 1.01 -1.26 -0.85 120.40 111.27 2pkr s VAL 299 Ca 0.06 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.25 2pkr s VAL 299 Cb -0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 2pkr s VAL 299 CO 0.02 0.18 -0.08 -0.04 0.00 0.00 0.00 175.10 175.18 2pkr s MET 300 N 1.54 2.55 -1.20 2.72 -1.94 -0.09 -4.61 119.30 118.26 2pkr s MET 300 Ca -0.03 -0.71 0.00 0.00 -1.71 0.00 0.00 55.69 53.24 2pkr s MET 300 Cb -0.13 -2.49 0.00 0.00 2.01 0.00 0.00 34.83 34.23 2pkr s MET 300 CO -0.03 0.61 0.00 0.41 -0.01 0.00 0.00 175.02 176.00 2pkr n GLY 301 N 1.70 -0.18 4.60 -0.03 0.00 -1.26 -1.60 105.19 108.41 2pkr n GLY 301 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.60 0.00 0.00 1.61 8.00 -1.26 -4.47 116.55 118.83 2pkr n ASP 302 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 2pkr n ASP 302 Cb 0.59 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 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 0.04 0.73 -4.24 -2.24 5.68 -1.17 0.09 116.55 115.44 2pkr n ASP 303 Ca 0.00 -1.19 -0.41 0.00 -0.50 0.00 0.00 54.79 52.69 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 -0.19 2.58 -0.12 0.11 1.75 -0.63 -0.61 119.30 122.20 2pkr s MET 304 Ca 0.00 -1.68 -0.15 0.00 -1.25 0.00 0.00 55.69 52.61 2pkr s MET 304 Cb 0.00 -3.95 -0.05 0.00 2.84 0.00 0.00 34.83 33.68 2pkr s MET 304 CO 0.00 -1.15 0.36 0.08 -0.65 0.00 0.00 175.02 173.66 2pkr s VAL 305 N 1.41 5.23 -0.17 10.11 1.01 0.56 -0.91 120.40 137.64 2pkr s VAL 305 Ca 0.05 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.74 2pkr s VAL 305 Cb -0.26 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.43 2pkr s VAL 305 CO 0.01 0.41 -0.17 -0.75 0.00 0.00 0.00 175.10 174.60 2pkr s LYS 306 N 0.20 3.11 -0.06 2.72 2.20 -0.03 -1.12 119.74 126.76 2pkr s LYS 306 Ca 0.21 -0.78 0.05 0.00 -0.36 0.00 0.00 55.97 55.08 2pkr s LYS 306 Cb -0.14 -2.62 -0.00 0.00 -1.51 0.00 0.00 37.83 33.55 2pkr s LYS 306 CO 0.07 -0.11 -0.20 0.08 -0.36 0.00 0.00 175.35 174.83 2pkr s VAL 307 N 1.10 1.71 -0.20 4.02 1.01 0.34 -1.91 120.40 126.47 2pkr s VAL 307 Ca 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 2pkr s VAL 307 Cb -0.14 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 2pkr s VAL 307 CO -0.06 0.48 -0.06 -0.63 0.00 0.00 0.00 175.10 174.84 2pkr s ILE 308 N 0.09 3.40 -0.04 2.22 -1.09 -1.26 -1.61 121.20 122.90 2pkr s ILE 308 Ca -0.07 -0.50 0.03 0.00 -2.23 0.00 0.00 60.65 57.87 2pkr s ILE 308 Cb -0.14 -2.52 0.01 0.00 -1.58 0.00 0.00 42.46 38.23 2pkr s ILE 308 CO 0.04 0.45 -0.11 0.00 -1.23 0.00 0.00 174.94 174.09 2pkr s ALA 309 N 1.13 1.09 0.25 9.38 0.00 -0.29 -1.02 121.76 132.30 2pkr s ALA 309 Ca 0.02 -0.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.49 2pkr s ALA 309 Cb -0.15 -0.43 -0.07 0.00 0.00 0.00 0.00 23.12 22.47 2pkr s ALA 309 CO -0.01 0.15 0.55 -1.58 0.00 0.00 0.00 175.76 174.87 2pkr s TRP 310 N 0.36 3.44 -0.26 0.00 0.52 0.24 -0.94 118.94 122.30 2pkr s TRP 310 Ca -0.07 0.81 -0.21 0.00 0.02 0.00 0.00 56.10 56.65 2pkr s TRP 310 Cb -0.12 -2.22 0.07 0.00 -1.15 0.00 0.00 33.47 30.05 2pkr s TRP 310 CO 0.02 0.23 0.67 1.52 0.02 0.00 0.00 176.95 179.41 2pkr s TYR 311 N -1.90 -0.84 -0.69 -1.98 1.13 -0.17 -0.91 117.35 111.99 2pkr s TYR 311 Ca 0.46 1.90 -0.24 0.00 -1.41 0.00 0.00 57.07 57.79 2pkr s TYR 311 Cb -0.11 0.38 0.06 0.00 -1.10 0.00 0.00 41.96 41.19 2pkr s TYR 311 CO 0.24 -0.41 1.07 0.34 -2.51 0.00 0.00 175.55 174.27 2pkr s ASP 312 N 0.82 6.17 0.62 -0.18 -1.08 -1.26 -0.17 116.67 121.58 2pkr s ASP 312 Ca -0.04 -0.83 0.38 0.00 -0.52 0.00 0.00 52.55 51.55 2pkr s ASP 312 Cb -0.05 -2.46 2.03 0.00 -1.46 0.00 0.00 42.92 40.98 2pkr s ASP 312 CO -0.06 -1.57 2.25 -0.55 0.52 0.00 0.00 175.17 175.76 2pkr h ASN 313 N 9.71 0.00 0.00 -0.34 -1.07 -1.91 -0.32 115.58 121.65 2pkr h ASN 313 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.09 2pkr h ASN 313 Cb 1.06 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.31 2pkr h ASN 313 CO 1.21 0.02 -0.62 -0.62 0.07 0.00 0.00 177.43 177.50 2pkr n GLU 314 N -3.26 0.45 0.02 4.14 1.02 -1.26 -4.22 120.64 117.53 2pkr n GLU 314 Ca -0.02 0.43 -0.13 0.00 -0.02 0.00 0.00 57.16 57.42 2pkr n GLU 314 Cb 0.14 -1.59 -0.09 0.00 -0.02 0.00 0.00 31.44 29.88 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 -0.96 -0.07 -0.62 -0.32 2.91 -1.92 -2.23 115.95 112.74 2pkr h TRP 315 Ca 0.00 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.04 2pkr h TRP 315 Cb 0.62 0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 29.25 2pkr h TRP 315 CO -0.26 0.37 0.41 0.78 -1.03 0.00 0.00 178.44 178.71 2pkr h GLY 316 N -0.54 0.84 1.29 2.65 0.00 -1.16 -1.36 103.07 104.79 2pkr h GLY 316 Ca -0.01 -0.30 -0.18 0.00 0.00 0.00 0.00 47.33 46.84 2pkr h GLY 316 CO 0.01 0.27 -0.58 -1.82 0.00 0.00 0.00 176.54 174.43 2pkr h TYR 317 N 0.77 0.94 -0.05 5.60 3.20 -1.59 -2.93 116.97 122.90 2pkr h TYR 317 Ca 0.24 -0.34 -0.08 0.00 3.14 0.00 0.00 58.73 61.68 2pkr h TYR 317 Cb 0.01 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2pkr h TYR 317 CO -0.00 1.14 -0.36 0.77 -1.64 0.00 0.00 178.16 178.07 2pkr h SER 318 N 0.56 0.10 0.29 -2.11 0.02 -0.81 -1.05 113.55 110.54 2pkr h SER 318 Ca 0.00 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 2pkr h SER 318 Cb 1.17 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 2pkr h SER 318 CO 0.12 0.45 -0.35 1.56 -1.14 0.00 0.00 176.83 177.47 2pkr h GLN 319 N 0.08 0.09 -0.03 3.45 1.08 -1.13 -1.28 115.11 117.38 2pkr h GLN 319 Ca 0.01 -0.04 -0.17 0.00 -1.45 0.00 0.00 58.65 57.01 2pkr h GLN 319 Cb 0.68 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 2pkr h GLN 319 CO 0.05 0.44 -0.72 0.00 -0.95 0.00 0.00 178.83 177.64 2pkr h ARG 320 N 0.08 0.18 -0.33 1.46 2.47 -1.11 -0.38 114.38 116.76 2pkr h ARG 320 Ca 0.01 -0.16 -0.04 0.00 -1.26 0.00 0.00 59.98 58.53 2pkr h ARG 320 Cb 0.67 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.01 2pkr h ARG 320 CO 0.05 0.83 0.06 0.28 0.56 0.00 0.00 179.97 181.75 2pkr h VAL 321 N 0.12 1.23 -0.27 2.04 2.07 -0.60 -0.07 116.25 120.78 2pkr h VAL 321 Ca -0.02 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.72 2pkr h VAL 321 Cb 1.28 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 2pkr h VAL 321 CO 0.11 0.27 0.11 0.58 0.02 0.00 0.00 177.57 178.65 2pkr h VAL 322 N 0.38 0.95 -0.54 2.57 2.07 -1.11 0.16 116.25 120.73 2pkr h VAL 322 Ca 0.10 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.62 2pkr h VAL 322 Cb 0.34 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 2pkr h VAL 322 CO 0.01 0.04 0.18 0.44 0.02 0.00 0.00 177.57 178.26 2pkr h ASP 323 N 0.24 0.15 0.11 0.57 3.32 -0.63 0.11 116.42 120.29 2pkr h ASP 323 Ca 0.12 0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 2pkr h ASP 323 Cb 0.07 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2pkr h ASP 323 CO -0.11 0.11 -0.25 0.25 -1.72 0.00 0.00 179.24 177.52 2pkr h LEU 324 N 0.35 0.24 -0.48 1.55 5.85 -0.49 -1.63 115.31 120.68 2pkr h LEU 324 Ca 0.26 -0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.80 2pkr h LEU 324 Cb 0.31 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2pkr h LEU 324 CO -0.28 0.50 -0.16 0.00 -0.34 0.00 0.00 178.44 178.15 2pkr h ALA 325 N 1.53 0.67 -0.58 1.25 0.00 0.50 -0.51 119.26 122.12 2pkr h ALA 325 Ca 0.04 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.58 2pkr h ALA 325 Cb 0.57 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2pkr h ALA 325 CO 0.04 0.62 0.38 -0.44 0.00 0.00 0.00 179.25 179.86 2pkr h ASP 326 N 0.82 0.66 -0.30 0.00 5.19 -0.17 -0.99 116.42 121.64 2pkr h ASP 326 Ca 0.12 -0.02 -0.13 0.00 -0.62 0.00 0.00 57.03 56.38 2pkr h ASP 326 Cb 0.73 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 40.08 2pkr h ASP 326 CO 0.06 0.48 -0.31 0.40 -3.12 0.00 0.00 179.24 176.74 2pkr h ILE 327 N 0.78 1.30 -0.47 0.35 2.04 -0.67 -0.74 117.51 120.09 2pkr h ILE 327 Ca 0.21 -1.48 0.07 0.00 1.00 0.00 0.00 64.86 64.66 2pkr h ILE 327 Cb -0.08 1.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.52 2pkr h ILE 327 CO -0.05 0.48 0.14 0.58 0.00 0.00 0.00 178.15 179.30 2pkr h VAL 328 N 0.48 0.80 -0.56 1.67 2.07 0.15 -0.63 116.25 120.24 2pkr h VAL 328 Ca 0.04 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 2pkr h VAL 328 Cb 0.89 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2pkr h VAL 328 CO 0.08 0.05 0.16 0.00 0.02 0.00 0.00 177.57 177.88 2pkr h ALA 329 N 1.34 0.74 0.00 1.67 0.00 -1.21 -2.40 119.26 119.38 2pkr h ALA 329 Ca 0.23 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2pkr h ALA 329 Cb 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2pkr h ALA 329 CO -0.26 0.41 -0.19 -0.91 0.00 0.00 0.00 179.25 178.30 2pkr h ASN 330 N 0.79 0.00 -0.59 0.00 -0.26 -0.34 -2.84 115.58 112.34 2pkr h ASN 330 Ca 0.18 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 2pkr h ASN 330 Cb 0.31 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 2pkr h ASN 330 CO -0.00 0.19 0.00 0.29 -1.06 0.00 0.00 177.43 176.85 2pkr n LYS 331 N -3.54 2.78 -1.84 0.81 4.76 -0.32 -5.01 118.16 115.80 2pkr n LYS 331 Ca -0.01 -2.43 -0.42 0.00 -2.87 0.00 0.00 58.31 52.58 2pkr n LYS 331 Cb 0.34 -1.46 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 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 -1.00 2.94 -0.39 2.13 -0.11 -0.93 -4.59 118.94 116.99 2pkr s TRP 332 Ca 0.39 0.60 -0.18 0.00 1.22 0.00 0.00 56.10 58.13 2pkr s TRP 332 Cb 0.20 -4.02 0.01 0.00 -1.50 0.00 0.00 33.47 28.16 2pkr s TRP 332 CO 0.27 -3.69 0.51 -0.65 -4.62 0.00 0.00 176.95 168.77 2pkr s GLN 333 N 0.66 3.39 0.00 5.86 -0.21 -1.26 -5.09 119.66 123.01 2pkr s GLN 333 Ca 0.69 -0.39 0.00 0.00 0.02 0.00 0.00 55.36 55.68 2pkr s GLN 333 Cb -0.46 -3.89 0.00 0.00 1.00 0.00 0.00 33.01 29.66 2pkr s GLN 333 CO 0.36 -0.78 0.00 0.41 -2.12 0.00 0.00 175.29 173.16