#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 4.29 -0.33 3.14 2.96 -0.86 -4.88 118.68 122.99 2pkr s LEU 1 Ca 0.00 2.21 -0.27 0.00 -0.22 0.00 0.00 54.13 55.85 2pkr s LEU 1 Cb 0.00 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.17 2pkr s LEU 1 CO 0.00 -0.97 0.97 -0.54 -1.32 0.00 0.00 176.35 174.49 2pkr s LYS 2 N 4.14 3.97 -0.04 1.98 -0.14 -1.26 -0.54 119.74 127.86 2pkr s LYS 2 Ca 0.75 0.82 0.03 0.00 -1.36 0.00 0.00 55.97 56.21 2pkr s LYS 2 Cb -0.33 -3.76 -0.03 0.00 -1.68 0.00 0.00 37.83 32.03 2pkr s LYS 2 CO 0.30 -0.88 -0.12 0.08 -0.76 0.00 0.00 175.35 173.97 2pkr s VAL 3 N 3.48 3.24 -0.08 3.17 1.01 0.12 -1.46 120.40 129.88 2pkr s VAL 3 Ca 0.41 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.72 2pkr s VAL 3 Cb -0.12 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 2pkr s VAL 3 CO 0.16 0.55 -0.24 0.00 0.00 0.00 0.00 175.10 175.58 2pkr s ALA 4 N -0.79 2.21 -0.29 5.51 0.00 -0.35 -1.21 121.76 126.82 2pkr s ALA 4 Ca 0.13 -1.01 -0.10 0.00 0.00 0.00 0.00 51.96 50.98 2pkr s ALA 4 Cb -0.11 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 2pkr s ALA 4 CO 0.02 0.36 0.17 0.42 0.00 0.00 0.00 175.76 176.73 2pkr s ILE 5 N 0.06 4.93 -0.34 0.00 1.01 -0.71 -0.30 121.20 125.86 2pkr s ILE 5 Ca -0.10 -0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 2pkr s ILE 5 Cb -0.16 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 38.89 2pkr s ILE 5 CO 0.06 0.16 0.19 0.21 0.00 0.00 0.00 174.94 175.56 2pkr s ASN 6 N 1.69 5.72 0.00 3.58 2.47 -0.62 -0.58 114.94 127.20 2pkr s ASN 6 Ca 0.06 -0.63 0.00 0.00 0.42 0.00 0.00 52.86 52.71 2pkr s ASN 6 Cb -0.16 -2.04 0.00 0.00 -1.45 0.00 0.00 41.25 37.59 2pkr s ASN 6 CO 0.08 -0.26 0.00 0.61 -3.72 0.00 0.00 177.10 173.81 2pkr n GLY 7 N 5.02 -0.39 2.39 1.21 0.00 -0.99 -0.63 105.19 111.80 2pkr n GLY 7 Ca -0.13 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 44.89 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 0.19 1.61 -1.28 1.61 7.35 -1.25 -4.04 117.46 121.64 2pkr n PHE 8 Ca 0.00 -2.14 0.00 0.00 -0.76 0.00 0.00 57.45 54.55 2pkr n PHE 8 Cb 0.00 -1.59 0.00 0.00 0.35 0.00 0.00 39.48 38.24 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 1.52 1.19 0.34 7.13 0.00 -1.26 -4.51 105.19 109.60 2pkr n GLY 9 Ca 0.53 -1.89 -0.08 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.27 -0.25 1.61 2.47 -1.92 0.38 114.38 116.40 2pkr h ARG 10 Ca 0.00 0.02 -0.06 0.00 -1.26 0.00 0.00 59.98 58.68 2pkr h ARG 10 Cb 0.00 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 2pkr h ARG 10 CO 0.00 -0.18 -0.08 0.82 0.56 0.00 0.00 179.97 181.09 2pkr h ILE 11 N -0.28 1.29 -0.65 2.04 1.08 -1.91 -0.11 117.51 118.97 2pkr h ILE 11 Ca 0.16 -1.11 0.10 0.00 -0.39 0.00 0.00 64.86 63.61 2pkr h ILE 11 Cb 0.54 1.50 -0.07 0.00 -3.07 0.00 0.00 36.82 35.72 2pkr h ILE 11 CO -0.50 0.35 0.28 1.23 -0.69 0.00 0.00 178.15 178.82 2pkr h GLY 12 N 0.23 0.95 1.31 5.37 0.00 -1.49 0.58 103.07 110.02 2pkr h GLY 12 Ca 0.06 -0.16 -0.25 0.00 0.00 0.00 0.00 47.33 46.98 2pkr h GLY 12 CO 0.03 0.00 -0.97 3.21 0.00 0.00 0.00 176.54 178.81 2pkr h ARG 13 N 0.48 0.63 -0.45 4.80 3.08 -0.20 -2.34 114.38 120.38 2pkr h ARG 13 Ca 0.33 -0.64 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 2pkr h ARG 13 Cb 0.39 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2pkr h ARG 13 CO -0.30 1.25 0.26 -0.91 -1.07 0.00 0.00 179.97 179.20 2pkr h ASN 14 N 0.37 0.55 -0.16 7.04 2.35 -0.63 -0.94 115.58 124.15 2pkr h ASN 14 Ca -0.10 -0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.63 2pkr h ASN 14 Cb 1.61 -0.14 -0.06 0.00 0.05 0.00 0.00 38.32 39.78 2pkr h ASN 14 CO 0.19 0.46 -0.22 0.15 -1.65 0.00 0.00 177.43 176.36 2pkr h PHE 15 N 0.60 -0.58 -0.39 1.19 3.57 0.24 0.44 116.94 122.01 2pkr h PHE 15 Ca 0.16 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.73 2pkr h PHE 15 Cb 0.02 0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 2pkr h PHE 15 CO -0.03 -0.30 0.18 1.25 -2.23 0.00 0.00 178.31 177.18 2pkr h LEU 16 N -0.26 0.24 -1.10 0.59 6.46 -1.08 0.23 115.31 120.40 2pkr h LEU 16 Ca 0.11 0.03 -0.07 0.00 -0.12 0.00 0.00 57.88 57.83 2pkr h LEU 16 Cb 0.43 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.33 2pkr h LEU 16 CO -0.32 0.18 -0.12 0.03 -0.62 0.00 0.00 178.44 177.60 2pkr h ARG 17 N 0.37 0.50 -0.20 1.25 3.08 -0.39 0.24 114.38 119.22 2pkr h ARG 17 Ca 0.17 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 2pkr h ARG 17 Cb 0.10 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2pkr h ARG 17 CO -0.14 0.61 -0.02 0.00 -1.07 0.00 0.00 179.97 179.35 2pkr h TRP 18 N 0.12 0.70 -0.27 0.00 7.01 0.05 -1.92 115.95 121.64 2pkr h TRP 18 Ca 0.05 0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.13 2pkr h TRP 18 Cb 0.45 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.27 2pkr h TRP 18 CO 0.04 0.39 0.19 1.25 -2.79 0.00 0.00 178.44 177.52 2pkr h HIS 18 N 0.74 0.12 -0.00 2.65 2.76 -0.37 -1.55 115.15 119.50 2pkr h HIS 18 Ca 0.26 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 2pkr h HIS 18 Cb 0.05 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 28.97 2pkr h HIS 18 CO -0.06 0.07 -0.10 0.41 -1.30 0.00 0.00 177.93 176.95 2pkr n GLY 19 N -1.56 -1.22 3.83 5.26 0.00 -0.73 -4.87 105.19 105.90 2pkr n GLY 19 Ca 0.03 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.70 4.15 -0.10 1.61 1.81 -0.58 -5.07 118.95 118.07 2pkr s ARG 20 Ca 0.23 1.01 -0.05 0.00 -1.72 0.00 0.00 55.73 55.19 2pkr s ARG 20 Cb 0.20 -2.23 -0.04 0.00 -0.45 0.00 0.00 34.95 32.43 2pkr s ARG 20 CO 0.51 -0.01 0.09 0.15 -0.68 0.00 0.00 175.30 175.36 2pkr s LYS 21 N -3.22 3.27 -1.15 3.54 -0.14 -1.26 -4.55 119.74 116.23 2pkr s LYS 21 Ca 0.60 -0.25 -0.24 0.00 -1.36 0.00 0.00 55.97 54.72 2pkr s LYS 21 Cb -0.09 -3.04 0.00 0.00 -1.68 0.00 0.00 37.83 33.02 2pkr s LYS 21 CO 0.16 0.74 0.78 -0.25 -0.76 0.00 0.00 175.35 176.01 2pkr n ASP 22 N 1.95 -5.14 -4.75 2.83 8.00 -1.26 -4.91 116.55 113.27 2pkr n ASP 22 Ca -0.19 -1.07 -0.40 0.00 0.71 0.00 0.00 54.79 53.84 2pkr n ASP 22 Cb 0.54 -3.05 -0.06 0.00 -0.02 0.00 0.00 41.12 38.54 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 -3.47 7.58 0.00 -2.24 0.15 -1.26 -4.92 113.70 109.54 2pkr s SER 23 Ca 0.48 1.95 0.18 0.00 0.70 0.00 0.00 55.95 59.25 2pkr s SER 23 Cb -0.19 -2.61 0.89 0.00 -1.71 0.00 0.00 66.02 62.40 2pkr s SER 23 CO 0.88 0.08 1.59 -0.81 1.20 0.00 0.00 173.24 176.19 2pkr n PRO 24 N 1.75 1.26 -4.29 5.44 -0.04 -1.26 -4.82 135.00 133.04 2pkr n PRO 24 Ca -0.01 -0.40 -0.33 0.00 -0.04 0.00 0.00 63.50 62.73 2pkr n PRO 24 Cb 0.47 -1.30 -0.09 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.51 3.55 -0.23 1.53 1.43 -1.26 -2.03 118.68 120.15 2pkr s LEU 25 Ca 0.27 0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.38 2pkr s LEU 25 Cb 0.13 -2.00 0.07 0.00 0.03 0.00 0.00 46.19 44.42 2pkr s LEU 25 CO 0.21 0.29 0.03 -0.62 0.23 0.00 0.00 176.35 176.49 2pkr s ASP 26 N -1.47 3.38 -0.45 2.29 2.15 0.30 -4.85 116.67 118.03 2pkr s ASP 26 Ca 0.19 -1.08 -0.27 0.00 0.43 0.00 0.00 52.55 51.81 2pkr s ASP 26 Cb -0.12 -0.80 0.03 0.00 -0.30 0.00 0.00 42.92 41.73 2pkr s ASP 26 CO 0.09 -0.31 1.02 -0.69 -0.17 0.00 0.00 175.17 175.11 2pkr s VAL 27 N 1.69 4.38 -0.09 1.11 1.01 -1.26 0.14 120.40 127.38 2pkr s VAL 27 Ca 0.00 1.06 0.15 0.00 0.00 0.00 0.00 61.98 63.19 2pkr s VAL 27 Cb -0.18 -4.49 -0.23 0.00 0.00 0.00 0.00 36.38 31.49 2pkr s VAL 27 CO -0.11 -0.84 0.36 1.33 0.00 0.00 0.00 175.10 175.84 2pkr n VAL 28 N 6.50 0.00 -3.72 2.92 0.24 -0.35 -4.85 118.33 119.07 2pkr n VAL 28 Ca 0.09 -0.33 -0.11 0.00 -2.04 0.00 0.00 64.34 61.95 2pkr n VAL 28 Cb 0.49 0.23 -0.06 0.00 -1.47 0.00 0.00 33.84 33.03 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 -2.99 0.08 -0.02 3.34 0.11 -1.23 -1.30 120.40 118.39 2pkr s VAL 29 Ca -0.04 -0.67 0.01 0.00 -2.93 0.00 0.00 61.98 58.34 2pkr s VAL 29 Cb 0.10 -1.06 0.02 0.00 -1.53 0.00 0.00 36.38 33.91 2pkr s VAL 29 CO 0.63 -0.37 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.39 2pkr s ILE 30 N -3.05 0.17 -0.59 7.04 1.01 -0.02 -1.73 121.20 124.03 2pkr s ILE 30 Ca -0.02 0.04 -0.17 0.00 0.00 0.00 0.00 60.65 60.51 2pkr s ILE 30 Cb 0.01 -0.24 0.13 0.00 0.01 0.00 0.00 42.46 42.37 2pkr s ILE 30 CO -0.07 0.12 0.59 0.21 0.00 0.00 0.00 174.94 175.79 2pkr s ASN 31 N 0.73 6.26 -0.32 3.58 2.47 0.25 -0.95 114.94 126.96 2pkr s ASN 31 Ca -0.07 -1.80 0.01 0.00 0.42 0.00 0.00 52.86 51.41 2pkr s ASN 31 Cb -0.10 -2.24 0.08 0.00 -1.45 0.00 0.00 41.25 37.54 2pkr s ASN 31 CO -0.01 -0.90 0.03 -0.62 -3.72 0.00 0.00 177.10 171.88 2pkr s ASP 32 N 3.46 4.82 0.48 -4.21 -1.08 -0.25 -2.34 116.67 117.54 2pkr s ASP 32 Ca 0.07 -1.72 0.32 0.00 -0.52 0.00 0.00 52.55 50.70 2pkr s ASP 32 Cb -0.26 -1.67 1.73 0.00 -1.46 0.00 0.00 42.92 41.26 2pkr s ASP 32 CO 0.02 -0.34 1.98 0.71 0.52 0.00 0.00 175.17 178.06 2pkr h THR 33 N 6.56 0.00 0.00 1.71 1.35 -1.92 -1.78 112.91 118.84 2pkr h THR 33 Ca -0.14 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 2pkr h THR 33 Cb 1.04 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 2pkr h THR 33 CO 0.54 0.00 -0.02 0.61 -0.25 0.00 0.00 175.52 176.40 2pkr n GLY 34 N -1.20 -1.60 0.00 5.82 0.00 -1.26 -4.96 105.19 101.99 2pkr n GLY 34 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 1.40 1.42 0.13 -0.02 0.00 -0.67 -4.44 105.19 103.01 2pkr n GLY 36 Ca 0.06 -1.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 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 1.20 -0.45 1.61 2.07 -1.88 -1.26 116.25 117.54 2pkr h VAL 37 Ca 0.00 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 2pkr h VAL 37 Cb 0.00 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2pkr h VAL 37 CO 0.00 0.20 0.28 0.11 0.02 0.00 0.00 177.57 178.18 2pkr h LYS 38 N 0.15 0.61 -0.45 1.57 1.79 -1.95 -1.22 116.57 117.08 2pkr h LYS 38 Ca 0.07 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2pkr h LYS 38 Cb 0.25 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 2pkr h LYS 38 CO -0.00 0.43 0.26 0.37 -1.08 0.00 0.00 179.45 179.43 2pkr h GLN 39 N 0.60 0.61 -0.43 3.15 4.15 -1.75 -0.36 115.11 121.07 2pkr h GLN 39 Ca 0.16 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 2pkr h GLN 39 Cb -0.02 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 2pkr h GLN 39 CO -0.03 0.47 0.25 0.00 -1.93 0.00 0.00 178.83 177.59 2pkr h ALA 40 N 1.11 0.55 -0.48 3.38 0.00 -0.94 -0.39 119.26 122.48 2pkr h ALA 40 Ca 0.16 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2pkr h ALA 40 Cb 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2pkr h ALA 40 CO -0.03 0.06 0.04 1.03 0.00 0.00 0.00 179.25 180.35 2pkr h SER 41 N 0.57 0.80 0.31 0.00 0.87 -0.96 -2.19 113.55 112.95 2pkr h SER 41 Ca 0.15 -0.29 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 2pkr h SER 41 Cb 0.02 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 2pkr h SER 41 CO -0.03 0.89 -0.15 -0.74 -0.53 0.00 0.00 176.83 176.27 2pkr h HIS 42 N 0.69 -0.39 0.00 2.24 6.17 -0.75 -2.01 115.15 121.10 2pkr h HIS 42 Ca 0.14 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.21 2pkr h HIS 42 Cb 0.45 0.13 -0.00 0.00 2.52 0.00 0.00 27.41 30.51 2pkr h HIS 42 CO 0.03 -0.13 -0.03 -0.07 0.71 0.00 0.00 177.93 178.45 2pkr h LEU 43 N -0.60 0.00 0.06 0.26 3.38 -1.13 0.33 115.31 117.61 2pkr h LEU 43 Ca -0.04 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.66 2pkr h LEU 43 Cb 0.43 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.19 2pkr h LEU 43 CO 0.07 0.03 -1.19 0.25 0.09 0.00 0.00 178.44 177.70 2pkr h LEU 44 N 0.00 0.51 -0.01 1.67 5.85 -1.22 -3.35 115.31 118.76 2pkr h LEU 44 Ca -0.00 -0.50 -0.03 0.00 0.84 0.00 0.00 57.88 58.18 2pkr h LEU 44 Cb 0.44 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2pkr h LEU 44 CO 0.00 1.36 -0.12 0.50 -0.34 0.00 0.00 178.44 179.84 2pkr h LYS 45 N 0.13 0.10 -5.09 1.25 1.63 -0.79 -3.41 116.57 110.39 2pkr h LYS 45 Ca -0.13 -0.10 -0.64 0.00 -0.85 0.00 0.00 60.65 58.93 2pkr h LYS 45 Cb 1.88 0.02 -0.23 0.00 -0.60 0.00 0.00 32.23 33.31 2pkr h LYS 45 CO 0.20 0.82 -0.65 0.71 -3.45 0.00 0.00 179.45 177.08 2pkr s TYR 46 N -3.27 3.06 -0.06 1.91 2.02 0.05 -0.35 117.35 120.72 2pkr s TYR 46 Ca -0.16 -0.44 -0.01 0.00 -0.37 0.00 0.00 57.07 56.09 2pkr s TYR 46 Cb 0.00 -2.12 0.03 0.00 -0.40 0.00 0.00 41.96 39.47 2pkr s TYR 46 CO 0.71 -0.26 -0.01 0.34 -1.57 0.00 0.00 175.55 174.77 2pkr s ASP 47 N 1.12 1.26 0.28 2.29 -1.08 -1.20 -4.50 116.67 114.84 2pkr s ASP 47 Ca 0.03 -0.08 0.21 0.00 -0.52 0.00 0.00 52.55 52.20 2pkr s ASP 47 Cb -0.14 -0.40 1.05 0.00 -1.46 0.00 0.00 42.92 41.97 2pkr s ASP 47 CO 0.02 -0.15 1.65 -1.20 0.52 0.00 0.00 175.17 176.01 2pkr n SER 48 N 4.77 0.57 -0.05 -0.34 7.64 -1.26 -0.71 113.62 124.23 2pkr n SER 48 Ca -0.14 0.71 -0.09 0.00 1.01 0.00 0.00 58.87 60.36 2pkr n SER 48 Cb 0.50 -0.81 -0.05 0.00 -1.01 0.00 0.00 64.21 62.85 2pkr n SER 48 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2pkr n ILE 49 N -2.21 0.61 1.05 0.44 5.41 -1.26 -4.72 119.36 118.68 2pkr n ILE 49 Ca -0.00 -0.20 0.12 0.00 1.00 0.00 0.00 62.75 63.67 2pkr n ILE 49 Cb 0.11 -1.21 0.29 0.00 -0.71 0.00 0.00 39.64 38.12 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 -3.11 0.57 0.00 1.39 4.77 -1.22 -5.05 117.00 114.36 2pkr n LEU 50 Ca -0.20 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2pkr n LEU 50 Cb 0.68 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2pkr n LEU 50 CO 0.07 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 2pkr n GLY 51 N 1.47 -0.88 3.71 -0.72 0.00 0.11 -4.83 105.19 104.05 2pkr n GLY 51 Ca 0.07 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.18 3.66 0.09 2.61 2.01 -1.26 -3.25 115.64 118.32 2pkr s THR 52 Ca 0.00 1.16 -0.31 0.00 0.31 0.00 0.00 61.69 62.85 2pkr s THR 52 Cb 0.00 -3.74 -0.10 0.00 0.01 0.00 0.00 72.50 68.67 2pkr s THR 52 CO 0.00 0.06 1.83 0.12 -0.69 0.00 0.00 174.62 175.94 2pkr s PHE 53 N 1.46 2.01 -1.37 4.92 5.36 0.53 -4.89 117.98 126.01 2pkr s PHE 53 Ca 0.62 -0.05 -0.14 0.00 -0.96 0.00 0.00 56.93 56.40 2pkr s PHE 53 Cb -0.33 -4.16 0.08 0.00 -0.34 0.00 0.00 43.02 38.28 2pkr s PHE 53 CO 0.29 -4.84 1.97 -3.47 -1.46 0.00 0.00 175.22 167.71 2pkr n ASP 54 N 6.06 4.48 -3.53 6.13 2.03 -1.26 -4.81 116.55 125.65 2pkr n ASP 54 Ca 0.18 -2.92 -0.09 0.00 0.52 0.00 0.00 54.79 52.48 2pkr n ASP 54 Cb 0.39 -1.64 -0.03 0.00 -0.72 0.00 0.00 41.12 39.12 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 2.84 -1.86 -0.40 -1.67 0.00 -1.26 -5.12 121.76 114.29 2pkr s ALA 55 Ca 0.47 1.19 -0.29 0.00 0.00 0.00 0.00 51.96 53.34 2pkr s ALA 55 Cb 0.09 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.33 2pkr s ALA 55 CO -0.02 -0.57 1.10 -0.51 0.00 0.00 0.00 175.76 175.75 2pkr s ASP 56 N -2.07 6.76 -0.09 0.00 1.01 -1.26 -4.87 116.67 116.15 2pkr s ASP 56 Ca 0.03 0.72 0.04 0.00 0.71 0.00 0.00 52.55 54.04 2pkr s ASP 56 Cb -0.01 -2.54 -0.00 0.00 1.01 0.00 0.00 42.92 41.38 2pkr s ASP 56 CO -0.05 -1.07 -0.22 -0.69 0.21 0.00 0.00 175.17 173.34 2pkr s VAL 57 N 4.04 1.92 0.17 -1.27 1.01 -1.26 0.11 120.40 125.13 2pkr s VAL 57 Ca 0.46 -0.95 -0.20 0.00 0.00 0.00 0.00 61.98 61.30 2pkr s VAL 57 Cb -0.10 -1.66 0.05 0.00 0.00 0.00 0.00 36.38 34.67 2pkr s VAL 57 CO 0.24 0.53 0.54 -1.59 0.00 0.00 0.00 175.10 174.82 2pkr s LYS 58 N 0.29 1.30 0.55 2.72 -2.85 -0.81 -4.99 119.74 115.95 2pkr s LYS 58 Ca -0.16 -0.68 -0.17 0.00 -1.00 0.00 0.00 55.97 53.96 2pkr s LYS 58 Cb -0.17 0.54 -0.06 0.00 -2.06 0.00 0.00 37.83 36.09 2pkr s LYS 58 CO 0.07 -0.56 1.04 0.95 0.10 0.00 0.00 175.35 176.96 2pkr s THR 59 N -3.81 3.88 -0.55 3.79 -4.23 -1.26 -0.58 115.64 112.88 2pkr s THR 59 Ca 0.05 0.99 0.04 0.00 -1.18 0.00 0.00 61.69 61.59 2pkr s THR 59 Cb -0.01 -3.44 0.16 0.00 1.34 0.00 0.00 72.50 70.55 2pkr s THR 59 CO -0.08 -0.43 0.39 0.00 -0.54 0.00 0.00 174.62 173.95 2pkr s ALA 60 N -2.31 2.65 0.00 3.99 0.00 0.31 -4.69 121.76 121.72 2pkr s ALA 60 Ca 0.64 -3.11 0.00 0.00 0.00 0.00 0.00 51.96 49.49 2pkr s ALA 60 Cb -0.15 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.05 2pkr s ALA 60 CO 0.30 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.43 2pkr n GLY 60 N 2.59 1.52 0.00 0.00 0.00 -1.26 -3.40 105.19 104.64 2pkr n GLY 60 Ca 0.21 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2pkr n GLY 60 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pkr n ASP 61 N 8.01 3.59 -2.18 1.61 5.75 -1.26 -4.58 116.55 127.50 2pkr n ASP 61 Ca 0.00 -0.10 -0.00 0.00 -0.01 0.00 0.00 54.79 54.68 2pkr n ASP 61 Cb 0.00 0.92 0.04 0.00 -1.03 0.00 0.00 41.12 41.05 2pkr n ASP 61 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2pkr n SER 62 N -1.28 0.51 -3.45 -1.12 3.41 -1.26 -4.85 113.62 105.58 2pkr n SER 62 Ca 0.00 -2.05 -0.11 0.00 -0.26 0.00 0.00 58.87 56.45 2pkr n SER 62 Cb 0.00 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 63.82 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 -1.63 0.17 7.33 0.00 -1.22 -0.59 121.76 124.34 2pkr s ALA 63 Ca 0.22 0.57 0.05 0.00 0.00 0.00 0.00 51.96 52.80 2pkr s ALA 63 Cb 0.32 0.79 -0.05 0.00 0.00 0.00 0.00 23.12 24.18 2pkr s ALA 63 CO -0.09 -0.76 -0.10 0.96 0.00 0.00 0.00 175.76 175.77 2pkr s ILE 64 N -3.62 1.28 -0.03 0.00 -4.36 -0.02 0.11 121.20 114.56 2pkr s ILE 64 Ca 0.02 -2.09 0.03 0.00 -0.26 0.00 0.00 60.65 58.35 2pkr s ILE 64 Cb -0.01 -1.97 0.00 0.00 1.25 0.00 0.00 42.46 41.73 2pkr s ILE 64 CO -0.11 -0.65 -0.11 -0.94 0.24 0.00 0.00 174.94 173.37 2pkr s SER 65 N -3.23 1.45 -0.29 4.36 1.04 0.25 0.75 113.70 118.04 2pkr s SER 65 Ca 0.20 -0.23 -0.00 0.00 0.48 0.00 0.00 55.95 56.40 2pkr s SER 65 Cb 0.02 -0.42 0.06 0.00 0.10 0.00 0.00 66.02 65.78 2pkr s SER 65 CO 0.03 0.08 -0.03 -0.69 0.98 0.00 0.00 173.24 173.61 2pkr s VAL 66 N 0.22 2.70 -1.45 5.02 1.01 -0.17 -1.92 120.40 125.81 2pkr s VAL 66 Ca -0.04 -1.51 -0.10 0.00 0.00 0.00 0.00 61.98 60.33 2pkr s VAL 66 Cb -0.10 -2.58 0.06 0.00 0.00 0.00 0.00 36.38 33.75 2pkr s VAL 66 CO 0.01 -0.11 0.76 0.47 0.00 0.00 0.00 175.10 176.23 2pkr n ASP 67 N 4.55 -4.92 0.00 3.32 8.00 0.30 -1.40 116.55 126.40 2pkr n ASP 67 Ca -0.13 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.85 2pkr n ASP 67 Cb 0.43 -3.97 0.00 0.00 -0.02 0.00 0.00 41.12 37.56 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 -1.52 2.99 3.63 0.44 0.00 -1.26 -5.01 105.19 104.46 2pkr n GLY 68 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.07 3.89 0.11 1.61 2.20 -0.49 -4.98 119.74 122.01 2pkr s LYS 69 Ca 0.00 1.31 -0.30 0.00 -0.36 0.00 0.00 55.97 56.62 2pkr s LYS 69 Cb 0.00 -3.91 -0.06 0.00 -1.51 0.00 0.00 37.83 32.36 2pkr s LYS 69 CO 0.00 -1.15 1.00 0.08 -0.36 0.00 0.00 175.35 174.92 2pkr s VAL 70 N 4.52 4.40 -0.11 4.02 1.01 -1.26 -1.00 120.40 131.98 2pkr s VAL 70 Ca 0.59 1.96 0.02 0.00 0.00 0.00 0.00 61.98 64.55 2pkr s VAL 70 Cb -0.18 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 31.96 2pkr s VAL 70 CO 0.24 0.29 -0.17 -0.63 0.00 0.00 0.00 175.10 174.82 2pkr s ILE 71 N 0.10 1.65 0.58 2.22 1.01 0.23 -4.93 121.20 122.06 2pkr s ILE 71 Ca 0.48 -0.74 -0.18 0.00 0.00 0.00 0.00 60.65 60.21 2pkr s ILE 71 Cb -0.24 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 2pkr s ILE 71 CO 0.31 0.47 1.13 -0.75 0.00 0.00 0.00 174.94 176.10 2pkr s LYS 72 N 0.82 3.16 -0.08 2.79 2.47 -0.42 -0.84 119.74 127.64 2pkr s LYS 72 Ca -0.09 1.57 -0.01 0.00 -1.56 0.00 0.00 55.97 55.87 2pkr s LYS 72 Cb -0.16 -1.98 0.03 0.00 -1.46 0.00 0.00 37.83 34.26 2pkr s LYS 72 CO 0.00 -1.00 -0.02 0.08 0.16 0.00 0.00 175.35 174.58 2pkr s VAL 73 N -1.92 0.56 0.45 4.02 1.01 0.25 -0.84 120.40 123.93 2pkr s VAL 73 Ca 0.71 -0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.75 2pkr s VAL 73 Cb -0.23 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2pkr s VAL 73 CO 0.32 0.29 0.12 0.68 0.00 0.00 0.00 175.10 176.50 2pkr s VAL 74 N 1.86 1.84 -0.26 2.92 -7.23 -0.12 -4.58 120.40 114.82 2pkr s VAL 74 Ca 0.04 -1.83 -0.01 0.00 -1.81 0.00 0.00 61.98 58.38 2pkr s VAL 74 Cb -0.12 -2.67 0.14 0.00 0.56 0.00 0.00 36.38 34.29 2pkr s VAL 74 CO -0.06 0.00 0.37 -0.55 -0.31 0.00 0.00 175.10 174.56 2pkr s SER 75 N -3.89 0.48 -0.27 4.85 0.15 -1.26 -1.09 113.70 112.66 2pkr s SER 75 Ca 0.29 -0.10 -0.13 0.00 0.70 0.00 0.00 55.95 56.71 2pkr s SER 75 Cb 0.04 1.03 0.10 0.00 -1.71 0.00 0.00 66.02 65.47 2pkr s SER 75 CO 0.16 -0.33 0.64 -0.62 1.20 0.00 0.00 173.24 174.29 2pkr s ASP 76 N 2.52 -0.94 0.15 5.45 -1.08 -1.26 -4.96 116.67 116.55 2pkr s ASP 76 Ca 0.11 1.46 0.25 0.00 -0.52 0.00 0.00 52.55 53.85 2pkr s ASP 76 Cb -0.14 1.65 0.93 0.00 -1.46 0.00 0.00 42.92 43.89 2pkr s ASP 76 CO -0.22 -0.23 1.76 0.54 0.52 0.00 0.00 175.17 177.53 2pkr n ARG 77 N 4.76 0.15 -3.58 4.34 1.74 -1.26 -4.54 116.66 118.28 2pkr n ARG 77 Ca -0.17 0.22 -0.41 0.00 -0.77 0.00 0.00 57.85 56.72 2pkr n ARG 77 Cb 0.55 -1.71 -0.10 0.00 -1.02 0.00 0.00 32.46 30.18 2pkr n ARG 77 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2pkr s ASN 78 N -3.92 5.68 0.36 0.55 3.84 -1.26 -4.98 114.94 115.22 2pkr s ASN 78 Ca 0.09 -1.52 0.11 0.00 0.21 0.00 0.00 52.86 51.75 2pkr s ASN 78 Cb 0.13 -2.01 0.87 0.00 -0.55 0.00 0.00 41.25 39.69 2pkr s ASN 78 CO 0.49 -0.56 1.86 -0.65 -2.79 0.00 0.00 177.10 175.45 2pkr h PRO 79 N 8.44 0.61 -0.18 0.43 0.11 -1.90 -1.97 132.00 137.54 2pkr h PRO 79 Ca -0.23 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.89 2pkr h PRO 79 Cb 1.08 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 2pkr h PRO 79 CO 0.78 0.41 0.21 -0.39 -0.21 0.00 0.00 178.00 178.79 2pkr h VAL 80 N 0.63 0.46 -0.18 3.15 -1.51 -1.94 -0.43 116.25 116.43 2pkr h VAL 80 Ca 0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.93 2pkr h VAL 80 Cb 0.84 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 30.83 2pkr h VAL 80 CO -0.22 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.71 2pkr n ASN 81 N -3.79 2.25 -4.78 4.19 5.03 -0.74 -4.37 115.26 113.07 2pkr n ASN 81 Ca 0.02 -1.78 -0.37 0.00 0.87 0.00 0.00 54.58 53.31 2pkr n ASN 81 Cb 0.33 -0.11 -0.05 0.00 -1.02 0.00 0.00 39.78 38.93 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 -1.67 4.25 -0.02 3.41 1.43 -0.17 -4.94 118.68 120.97 2pkr s LEU 82 Ca 0.34 2.01 -0.02 0.00 -1.03 0.00 0.00 54.13 55.43 2pkr s LEU 82 Cb 0.20 -4.07 -0.08 0.00 0.03 0.00 0.00 46.19 42.27 2pkr s LEU 82 CO 0.29 -0.33 2.57 -0.81 0.23 0.00 0.00 176.35 178.30 2pkr n PRO 83 N 0.26 1.40 0.07 1.29 -0.04 -1.26 -4.51 135.00 132.22 2pkr n PRO 83 Ca 0.03 -0.45 -0.13 0.00 -0.04 0.00 0.00 63.50 62.92 2pkr n PRO 83 Cb 0.49 -1.39 -0.09 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.19 -0.13 0.54 -0.00 -1.90 -1.37 115.95 114.64 2pkr h TRP 84 Ca 0.08 -0.00 0.04 0.00 -0.00 0.00 0.00 58.89 59.01 2pkr h TRP 84 Cb 1.17 0.06 -0.04 0.00 -0.00 0.00 0.00 29.16 30.35 2pkr h TRP 84 CO 0.81 0.18 -0.12 0.78 -0.00 0.00 0.00 178.44 180.09 2pkr h GLY 85 N -0.61 -0.03 1.50 1.49 0.00 -0.91 0.90 103.07 105.41 2pkr h GLY 85 Ca -0.02 0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.49 2pkr h GLY 85 CO 0.04 -0.13 0.25 -0.55 0.00 0.00 0.00 176.54 176.15 2pkr h ASP 86 N -0.14 0.30 0.38 0.19 3.32 -1.81 -1.06 116.42 117.60 2pkr h ASP 86 Ca 0.09 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2pkr h ASP 86 Cb 0.27 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2pkr h ASP 86 CO -0.22 0.21 -0.39 0.23 -1.72 0.00 0.00 179.24 177.35 2pkr n MET 87 N -4.48 0.39 -1.70 3.56 2.81 -0.52 -4.95 117.12 112.24 2pkr n MET 87 Ca 0.04 -0.23 -0.07 0.00 -1.81 0.00 0.00 57.70 55.63 2pkr n MET 87 Cb 0.19 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.19 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 1.42 0.46 3.67 3.03 0.00 0.24 -4.96 105.19 109.05 2pkr n GLY 88 Ca 0.09 -0.68 -0.44 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.46 0.62 -0.08 -0.61 2.08 -0.77 -4.83 119.36 112.31 2pkr n ILE 89 Ca -0.07 -0.11 -0.16 0.00 0.56 0.00 0.00 62.75 62.97 2pkr n ILE 89 Cb 0.40 -2.12 -0.13 0.00 -0.75 0.00 0.00 39.64 37.05 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 9.65 0.00 -3.39 4.38 3.32 -1.61 -2.69 116.42 126.08 2pkr h ASP 90 Ca -0.49 -0.86 -0.50 0.00 0.02 0.00 0.00 57.03 55.20 2pkr h ASP 90 Cb 1.25 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.46 2pkr h ASP 90 CO 0.94 1.13 -0.81 -0.22 -1.72 0.00 0.00 179.24 178.57 2pkr s LEU 91 N -8.13 1.52 -0.21 1.55 2.96 -0.78 -0.65 118.68 114.95 2pkr s LEU 91 Ca -0.22 -0.27 -0.08 0.00 -0.22 0.00 0.00 54.13 53.34 2pkr s LEU 91 Cb -0.01 -0.76 -0.04 0.00 0.50 0.00 0.00 46.19 45.88 2pkr s LEU 91 CO 0.66 -0.00 0.09 -0.69 -1.32 0.00 0.00 176.35 175.09 2pkr s VAL 92 N 0.86 4.87 -0.62 1.68 1.01 0.04 -1.21 120.40 127.03 2pkr s VAL 92 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 61.98 61.65 2pkr s VAL 92 Cb -0.15 -3.23 0.07 0.00 0.00 0.00 0.00 36.38 33.07 2pkr s VAL 92 CO 0.01 0.41 0.90 -0.63 0.00 0.00 0.00 175.10 175.80 2pkr s ILE 93 N 0.75 4.43 -0.62 2.22 -1.09 0.59 -0.65 121.20 126.83 2pkr s ILE 93 Ca 0.05 -0.30 -0.28 0.00 -2.23 0.00 0.00 60.65 57.89 2pkr s ILE 93 Cb -0.13 -4.60 0.03 0.00 -1.58 0.00 0.00 42.46 36.18 2pkr s ILE 93 CO 0.02 -1.30 1.23 -0.70 -1.23 0.00 0.00 174.94 172.97 2pkr s GLU 94 N 3.78 3.42 -0.20 2.79 -6.30 0.18 -1.58 118.70 120.79 2pkr s GLU 94 Ca 0.22 0.15 0.14 0.00 -2.50 0.00 0.00 54.97 52.98 2pkr s GLU 94 Cb -0.17 -4.06 0.44 0.00 0.00 0.00 0.00 34.13 30.34 2pkr s GLU 94 CO 0.12 -1.82 1.19 0.41 0.02 0.00 0.00 175.26 175.18 2pkr n GLY 95 N 5.15 4.40 0.09 -1.50 0.00 0.20 -0.62 105.19 112.91 2pkr n GLY 95 Ca 0.08 -1.58 -0.04 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.67 1.36 -0.91 2.61 -2.24 -1.22 -4.65 114.28 108.57 2pkr n THR 96 Ca 0.22 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2pkr n THR 96 Cb 0.86 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 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 1.48 0.92 0.00 3.38 0.00 -1.26 -4.86 105.19 104.85 2pkr n GLY 97 Ca -0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.08 0.00 -3.39 1.61 0.24 -1.26 -4.69 118.33 108.76 2pkr n VAL 98 Ca 0.00 -0.25 -0.29 0.00 -2.04 0.00 0.00 64.34 61.76 2pkr n VAL 98 Cb 0.00 0.73 -0.07 0.00 -1.47 0.00 0.00 33.84 33.03 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 -1.48 3.52 0.86 6.34 3.72 -1.26 -4.84 117.46 124.32 2pkr n PHE 99 Ca 0.01 -4.00 0.10 0.00 -0.05 0.00 0.00 57.45 53.50 2pkr n PHE 99 Cb 0.21 -0.63 0.01 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 0.92 0.00 -3.34 -4.37 0.24 -1.26 -3.64 118.33 106.87 2pkr n VAL 100 Ca 0.29 -0.32 -0.21 0.00 -2.04 0.00 0.00 64.34 62.06 2pkr n VAL 100 Cb 0.40 1.25 0.02 0.00 -1.47 0.00 0.00 33.84 34.04 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 -2.14 5.07 0.14 -1.34 -4.77 -1.26 -1.10 116.67 111.27 2pkr s ASP 101 Ca 0.17 -0.86 -0.15 0.00 -3.30 0.00 0.00 52.55 48.41 2pkr s ASP 101 Cb 0.16 0.01 0.02 0.00 -1.09 0.00 0.00 42.92 42.01 2pkr s ASP 101 CO 0.46 -1.06 1.69 0.03 0.70 0.00 0.00 175.17 177.00 2pkr h ARG 102 N 0.56 0.69 -0.44 2.11 3.08 -1.94 -0.66 114.38 117.77 2pkr h ARG 102 Ca -0.35 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.56 2pkr h ARG 102 Cb 1.29 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 2pkr h ARG 102 CO 0.49 0.63 0.23 -0.44 -1.07 0.00 0.00 179.97 179.81 2pkr h ASP 103 N 0.60 0.55 0.67 7.04 3.32 -1.96 0.33 116.42 126.98 2pkr h ASP 103 Ca 0.15 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 2pkr h ASP 103 Cb 0.21 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.62 2pkr h ASP 103 CO -0.01 0.50 -0.32 1.23 -1.72 0.00 0.00 179.24 178.91 2pkr h GLY 104 N 0.57 -0.94 1.45 2.75 0.00 -1.87 -3.00 103.07 102.02 2pkr h GLY 104 Ca 0.15 0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.87 2pkr h GLY 104 CO -0.02 -0.34 0.27 0.00 0.00 0.00 0.00 176.54 176.45 2pkr h ALA 105 N -1.22 1.91 -0.06 3.60 0.00 -1.17 -0.43 119.26 121.88 2pkr h ALA 105 Ca -0.09 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2pkr h ALA 105 Cb 0.69 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2pkr h ALA 105 CO 0.15 0.03 0.05 0.78 0.00 0.00 0.00 179.25 180.26 2pkr h GLY 106 N 0.38 0.00 0.42 0.00 0.00 -0.26 -1.12 103.07 102.48 2pkr h GLY 106 Ca 0.17 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.72 2pkr h GLY 106 CO -0.04 0.00 0.58 0.50 0.00 0.00 0.00 176.54 177.58 2pkr h LYS 107 N 0.00 0.00 0.00 4.80 1.57 -0.93 1.56 116.57 123.57 2pkr h LYS 107 Ca 0.03 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 2pkr h LYS 107 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2pkr h LYS 107 CO -0.00 0.00 -0.43 0.45 -0.57 0.00 0.00 179.45 178.90 2pkr h HIS 108 N 0.00 0.00 -0.03 -1.35 3.86 -1.37 -1.82 115.15 114.44 2pkr h HIS 108 Ca 0.36 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.41 2pkr h HIS 108 Cb 1.51 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.99 2pkr h HIS 108 CO 0.00 0.43 -0.59 -0.07 0.86 0.00 0.00 177.93 178.57 2pkr h LEU 109 N 0.00 0.57 -1.19 2.43 3.38 0.20 -0.97 115.31 119.74 2pkr h LEU 109 Ca -0.00 -0.72 0.16 0.00 0.09 0.00 0.00 57.88 57.41 2pkr h LEU 109 Cb 0.96 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 2pkr h LEU 109 CO 0.06 1.21 0.60 1.56 0.09 0.00 0.00 178.44 181.96 2pkr h GLN 110 N -0.02 0.70 0.00 1.13 4.20 -0.87 0.44 115.11 120.70 2pkr h GLN 110 Ca -0.07 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.60 2pkr h GLN 110 Cb 1.28 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.90 2pkr h GLN 110 CO 0.12 0.47 0.00 0.00 -0.67 0.00 0.00 178.83 178.74 2pkr n ALA 111 N -2.40 1.97 0.00 3.87 0.00 -0.71 -4.89 120.51 118.35 2pkr n ALA 111 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2pkr n ALA 111 Cb 0.52 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 0.60 0.80 3.77 0.00 0.00 0.15 -0.59 105.19 109.93 2pkr n GLY 112 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 3.24 0.02 4.61 0.00 -0.39 -3.60 121.76 123.64 2pkr s ALA 113 Ca 0.00 0.65 0.10 0.00 0.00 0.00 0.00 51.96 52.71 2pkr s ALA 113 Cb 0.00 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.82 2pkr s ALA 113 CO 0.00 0.04 1.36 0.87 0.00 0.00 0.00 175.76 178.03 2pkr h LYS 114 N 3.33 0.00 -2.80 0.00 1.57 -1.41 -3.38 116.57 113.88 2pkr h LYS 114 Ca -0.47 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.23 2pkr h LYS 114 Cb 1.20 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.33 2pkr h LYS 114 CO 0.65 0.78 -0.07 0.21 -0.57 0.00 0.00 179.45 180.45 2pkr s LYS 115 N -2.86 0.89 -0.03 3.15 2.20 0.18 -4.87 119.74 118.41 2pkr s LYS 115 Ca 0.02 -0.18 0.04 0.00 -0.36 0.00 0.00 55.97 55.49 2pkr s LYS 115 Cb 0.09 0.41 -0.00 0.00 -1.51 0.00 0.00 37.83 36.81 2pkr s LYS 115 CO 0.79 -0.29 -0.14 0.08 -0.36 0.00 0.00 175.35 175.42 2pkr s VAL 116 N -1.91 1.16 -0.28 4.02 1.01 0.44 -0.78 120.40 124.06 2pkr s VAL 116 Ca -0.09 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.32 2pkr s VAL 116 Cb -0.02 -1.00 0.08 0.00 0.00 0.00 0.00 36.38 35.44 2pkr s VAL 116 CO 0.02 0.34 -0.01 -0.22 0.00 0.00 0.00 175.10 175.23 2pkr s LEU 117 N -0.05 3.43 -0.02 3.92 0.20 0.17 -0.95 118.68 125.39 2pkr s LEU 117 Ca -0.00 -1.61 -0.30 0.00 0.69 0.00 0.00 54.13 52.91 2pkr s LEU 117 Cb -0.09 -1.36 -0.03 0.00 -0.43 0.00 0.00 46.19 44.28 2pkr s LEU 117 CO 0.01 -0.30 0.99 -0.63 -0.29 0.00 0.00 176.35 176.13 2pkr s ILE 118 N 1.20 4.83 -0.58 6.68 1.01 0.56 -0.64 121.20 134.27 2pkr s ILE 118 Ca 0.01 2.04 -0.05 0.00 0.00 0.00 0.00 60.65 62.65 2pkr s ILE 118 Cb -0.19 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 37.96 2pkr s ILE 118 CO -0.09 0.12 2.91 0.35 0.00 0.00 0.00 174.94 178.23 2pkr n THR 119 N 4.05 3.65 -3.56 2.92 -2.24 0.21 -1.70 114.28 117.60 2pkr n THR 119 Ca 0.07 -2.87 0.04 0.00 -2.27 0.00 0.00 64.05 59.01 2pkr n THR 119 Cb 0.50 -1.83 -0.00 0.00 -2.10 0.00 0.00 70.33 66.90 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 -0.78 -2.49 0.50 6.98 0.00 -1.24 -4.95 121.76 119.77 2pkr s ALA 120 Ca 0.61 0.98 -0.23 0.00 0.00 0.00 0.00 51.96 53.32 2pkr s ALA 120 Cb 0.32 0.21 -0.07 0.00 0.00 0.00 0.00 23.12 23.59 2pkr s ALA 120 CO -0.14 -1.04 1.31 -2.30 0.00 0.00 0.00 175.76 173.59 2pkr n PRO 121 N -0.48 1.77 -3.52 0.00 -0.02 -1.25 -3.99 135.00 127.51 2pkr n PRO 121 Ca -0.09 0.64 -0.35 0.00 -2.02 0.00 0.00 63.50 61.67 2pkr n PRO 121 Cb 0.64 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.56 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 -0.77 2.39 -0.02 -1.23 0.00 -1.26 -4.92 107.32 101.51 2pkr s GLY 122 Ca 0.68 -0.30 -0.13 0.00 0.00 0.00 0.00 44.72 44.97 2pkr s GLY 122 CO 0.53 -0.04 0.35 1.25 0.00 0.00 0.00 173.10 175.19 2pkr s LYS 122 N -1.77 3.81 2.32 2.90 2.36 -0.26 -4.82 119.74 124.27 2pkr s LYS 122 Ca 0.32 0.28 0.00 0.00 -2.55 0.00 0.00 55.97 54.03 2pkr s LYS 122 Cb -0.15 -3.20 0.00 0.00 -1.05 0.00 0.00 37.83 33.43 2pkr s LYS 122 CO 0.17 0.70 0.00 0.41 1.55 0.00 0.00 175.35 178.19 2pkr n GLY 123 N 1.80 -1.04 3.41 5.54 0.00 -1.26 -4.19 105.19 109.45 2pkr n GLY 123 Ca -0.15 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 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 0.41 4.80 -3.97 1.61 2.03 -1.26 -4.89 116.55 115.28 2pkr n ASP 124 Ca 0.00 -2.92 -0.29 0.00 0.52 0.00 0.00 54.79 52.10 2pkr n ASP 124 Cb 0.00 -1.71 -0.17 0.00 -0.72 0.00 0.00 41.12 38.53 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 3.68 1.37 -0.09 5.18 1.01 -1.26 -4.97 121.20 126.11 2pkr s ILE 125 Ca 0.51 -0.59 -0.36 0.00 0.00 0.00 0.00 60.65 60.22 2pkr s ILE 125 Cb 0.05 -1.37 -0.13 0.00 0.01 0.00 0.00 42.46 41.02 2pkr s ILE 125 CO 0.04 0.35 1.77 -2.65 0.00 0.00 0.00 174.94 174.46 2pkr n PRO 126 N 4.82 1.85 -4.26 2.79 -0.02 -1.25 -4.73 135.00 134.20 2pkr n PRO 126 Ca -0.15 0.68 -0.35 0.00 -2.02 0.00 0.00 63.50 61.66 2pkr n PRO 126 Cb 0.49 -2.46 -0.10 0.00 -0.02 0.00 0.00 33.50 31.41 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 3.29 4.42 0.05 3.45 2.01 -1.26 -1.00 115.64 126.60 2pkr s THR 127 Ca 0.92 -0.19 0.04 0.00 0.31 0.00 0.00 61.69 62.77 2pkr s THR 127 Cb -0.80 -2.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 2pkr s THR 127 CO 0.53 0.55 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.58 2pkr s TYR 128 N -0.32 1.02 -0.13 4.92 2.02 -0.26 -4.78 117.35 119.82 2pkr s TYR 128 Ca 0.07 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.34 2pkr s TYR 128 Cb -0.12 -0.59 0.04 0.00 -0.40 0.00 0.00 41.96 40.89 2pkr s TYR 128 CO 0.02 0.01 0.02 0.08 -1.57 0.00 0.00 175.55 174.10 2pkr s VAL 129 N -1.08 0.44 0.18 0.71 1.01 -1.26 -4.03 120.40 116.37 2pkr s VAL 129 Ca -0.03 -0.19 -0.32 0.00 0.00 0.00 0.00 61.98 61.45 2pkr s VAL 129 Cb -0.09 -0.76 -0.11 0.00 0.00 0.00 0.00 36.38 35.42 2pkr s VAL 129 CO 0.01 0.04 1.68 -0.69 0.00 0.00 0.00 175.10 176.15 2pkr s VAL 130 N 1.92 2.32 0.00 2.92 1.01 -1.26 -1.24 120.40 126.07 2pkr s VAL 130 Ca 0.02 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.19 2pkr s VAL 130 Cb -0.14 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2pkr s VAL 130 CO -0.07 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.66 2pkr n GLY 131 N 3.93 0.32 1.06 4.51 0.00 -1.26 -4.89 105.19 108.86 2pkr n GLY 131 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.54 -2.10 1.61 0.31 -0.37 -4.90 118.33 111.42 2pkr n VAL 132 Ca 0.00 0.18 -0.00 0.00 -0.01 0.00 0.00 64.34 64.51 2pkr n VAL 132 Cb 0.00 -1.50 -0.00 0.00 -0.91 0.00 0.00 33.84 31.42 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 -3.22 0.08 0.30 4.52 2.04 -0.94 -4.93 115.26 113.11 2pkr n ASN 133 Ca 0.00 -1.74 0.18 0.00 -0.44 0.00 0.00 54.58 52.57 2pkr n ASN 133 Cb 0.26 -0.11 0.89 0.00 -2.53 0.00 0.00 39.78 38.29 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 0.20 0.00 0.00 -3.83 9.09 -1.94 -2.20 114.58 115.90 2pkr h GLU 134 Ca -0.12 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.29 2pkr h GLU 134 Cb 1.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.50 2pkr h GLU 134 CO -0.02 0.04 0.00 0.39 0.05 0.00 0.00 179.01 179.47 2pkr n GLU 135 N -3.25 0.10 0.00 1.06 1.02 -1.26 -1.56 120.64 116.75 2pkr n GLU 135 Ca -0.01 0.50 0.14 0.00 -0.02 0.00 0.00 57.16 57.77 2pkr n GLU 135 Cb 0.20 -1.77 0.55 0.00 -0.02 0.00 0.00 31.44 30.40 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 -0.87 -0.81 3.77 0.62 0.00 -0.83 -4.90 105.19 102.18 2pkr n GLY 136 Ca 0.00 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.45 3.00 0.03 1.61 5.04 -0.60 -5.04 117.35 118.94 2pkr s TYR 137 Ca 0.28 1.49 0.02 0.00 -2.44 0.00 0.00 57.07 56.42 2pkr s TYR 137 Cb 0.20 -3.54 -0.02 0.00 0.35 0.00 0.00 41.96 38.95 2pkr s TYR 137 CO 0.48 -1.66 -0.07 0.95 -1.34 0.00 0.00 175.55 173.91 2pkr s THR 138 N -1.30 0.44 0.64 4.34 -4.23 -1.26 -5.03 115.64 109.24 2pkr s THR 138 Ca 0.55 -0.94 0.38 0.00 -1.18 0.00 0.00 61.69 60.50 2pkr s THR 138 Cb -0.35 -0.51 0.40 0.00 1.34 0.00 0.00 72.50 73.39 2pkr s THR 138 CO 0.45 -0.35 2.29 -0.74 -0.54 0.00 0.00 174.62 175.73 2pkr h HIS 139 N 4.70 0.00 0.00 3.99 2.76 -1.96 -2.05 115.15 122.59 2pkr h HIS 139 Ca -0.34 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 57.81 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 0.62 0.00 -0.08 0.00 -1.30 0.00 0.00 177.93 177.17 2pkr h ALA 140 N 1.93 1.34 -2.05 5.26 0.00 -1.95 -3.42 119.26 120.37 2pkr h ALA 140 Ca 0.01 -0.07 -0.57 0.00 0.00 0.00 0.00 54.91 54.28 2pkr h ALA 140 Cb 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2pkr h ALA 140 CO -0.00 0.10 1.24 -0.51 0.00 0.00 0.00 179.25 180.07 2pkr s ASP 141 N -6.11 6.13 0.10 0.00 1.01 -0.77 -4.85 116.67 112.18 2pkr s ASP 141 Ca -0.03 1.78 0.09 0.00 0.71 0.00 0.00 52.55 55.09 2pkr s ASP 141 Cb 0.14 -2.53 -0.19 0.00 1.01 0.00 0.00 42.92 41.35 2pkr s ASP 141 CO 0.57 -1.43 1.16 0.71 0.21 0.00 0.00 175.17 176.38 2pkr h THR 142 N 6.37 1.44 -3.24 -1.27 1.35 -1.89 -3.45 112.91 112.22 2pkr h THR 142 Ca -0.37 -3.15 -0.47 0.00 -0.55 0.00 0.00 66.41 61.87 2pkr h THR 142 Cb 1.18 2.71 -0.38 0.00 -1.73 0.00 0.00 68.15 69.93 2pkr h THR 142 CO 0.99 0.82 -0.78 -0.63 -0.25 0.00 0.00 175.52 175.67 2pkr s ILE 143 N -2.71 0.60 0.29 6.82 1.01 -1.26 -0.42 121.20 125.53 2pkr s ILE 143 Ca 0.00 -0.08 0.08 0.00 0.00 0.00 0.00 60.65 60.65 2pkr s ILE 143 Cb 0.09 -0.75 -0.06 0.00 0.01 0.00 0.00 42.46 41.76 2pkr s ILE 143 CO 0.81 0.24 -0.09 0.27 0.00 0.00 0.00 174.94 176.18 2pkr s ILE 144 N 1.88 1.92 -0.02 2.92 -4.36 -0.12 -3.95 121.20 119.47 2pkr s ILE 144 Ca 0.04 -2.18 0.05 0.00 -0.26 0.00 0.00 60.65 58.30 2pkr s ILE 144 Cb -0.13 -2.47 -0.01 0.00 1.25 0.00 0.00 42.46 41.10 2pkr s ILE 144 CO -0.06 -0.30 -0.18 -0.55 0.24 0.00 0.00 174.94 174.08 2pkr s SER 145 N -3.49 2.18 -0.24 4.36 0.15 -0.17 -0.32 113.70 116.17 2pkr s SER 145 Ca 0.30 -0.34 0.11 0.00 0.70 0.00 0.00 55.95 56.72 2pkr s SER 145 Cb 0.02 -0.31 0.72 0.00 -1.71 0.00 0.00 66.02 64.74 2pkr s SER 145 CO 0.13 0.22 1.65 -3.20 1.20 0.00 0.00 173.24 173.24 2pkr n ASN 146 N 2.72 5.01 -0.85 5.45 5.15 -0.69 -1.10 115.26 130.95 2pkr n ASN 146 Ca -0.15 -2.93 0.00 0.00 -0.60 0.00 0.00 54.58 50.90 2pkr n ASN 146 Cb 0.53 -0.69 0.00 0.00 -0.53 0.00 0.00 39.78 39.10 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 0.33 0.00 -2.00 5.20 0.00 -1.26 -4.81 120.51 117.96 2pkr n ALA 147 Ca 0.29 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.54 2pkr n ALA 147 Cb 1.17 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.66 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 5.25 0.14 0.00 1.04 -1.26 -3.71 113.70 111.15 2pkr s SER 148 Ca 0.00 -0.39 -0.17 0.00 0.48 0.00 0.00 55.95 55.87 2pkr s SER 148 Cb 0.00 -0.42 -0.01 0.00 0.10 0.00 0.00 66.02 65.68 2pkr s SER 148 CO 0.00 -1.15 1.74 0.00 0.98 0.00 0.00 173.24 174.82 2pkr h THR 150 N 0.45 1.22 -0.15 0.00 2.02 -1.95 -1.64 112.91 112.86 2pkr h THR 150 Ca 0.13 -0.81 -0.09 0.00 0.77 0.00 0.00 66.41 66.41 2pkr h THR 150 Cb 0.05 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2pkr h THR 150 CO -0.02 0.29 -0.30 0.74 0.37 0.00 0.00 175.52 176.60 2pkr h THR 151 N 0.70 1.27 0.00 3.16 2.02 -1.82 0.20 112.91 118.43 2pkr h THR 151 Ca 0.15 -1.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.02 2pkr h THR 151 Cb 0.31 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 2pkr h THR 151 CO 0.00 0.39 -0.13 0.78 0.37 0.00 0.00 175.52 176.94 2pkr h ASN 152 N 0.26 0.00 0.15 4.18 4.21 -0.64 -1.64 115.58 122.10 2pkr h ASN 152 Ca 0.04 0.00 -0.30 0.00 1.21 0.00 0.00 56.30 57.25 2pkr h ASN 152 Cb 0.67 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.88 2pkr h ASN 152 CO 0.05 0.13 -1.47 0.00 -1.29 0.00 0.00 177.43 174.84 2pkr h LEU 154 N -0.16 -0.10 -0.65 0.00 5.85 -0.96 -3.39 115.31 115.91 2pkr h LEU 154 Ca -0.30 -0.48 0.13 0.00 0.84 0.00 0.00 57.88 58.07 2pkr h LEU 154 Cb 1.88 0.03 -0.12 0.00 0.37 0.00 0.00 40.66 42.81 2pkr h LEU 154 CO 0.11 0.49 -0.17 0.00 -0.34 0.00 0.00 178.44 178.54 2pkr h ALA 155 N -0.02 0.42 -0.56 1.25 0.00 -1.53 -0.91 119.26 117.91 2pkr h ALA 155 Ca -0.01 0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.22 2pkr h ALA 155 Cb 0.58 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 2pkr h ALA 155 CO 0.02 -0.43 0.23 -1.35 0.00 0.00 0.00 179.25 177.72 2pkr h PRO 156 N -0.00 0.41 0.00 0.00 0.11 -1.79 0.17 132.00 130.91 2pkr h PRO 156 Ca 0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.40 2pkr h PRO 156 Cb 0.48 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.49 2pkr h PRO 156 CO -0.67 0.27 -0.50 0.27 -0.21 0.00 0.00 178.00 177.16 2pkr h PHE 157 N 0.43 0.00 -0.18 0.65 -5.15 -1.65 -3.02 116.94 108.01 2pkr h PHE 157 Ca 0.27 0.00 -0.17 0.00 -0.20 0.00 0.00 57.97 57.87 2pkr h PHE 157 Cb 0.28 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.45 2pkr h PHE 157 CO -0.15 0.00 -0.60 0.28 -2.00 0.00 0.00 178.31 175.84 2pkr h VAL 158 N 0.00 1.32 -0.64 0.88 2.07 -0.74 -0.93 116.25 118.20 2pkr h VAL 158 Ca 0.00 -1.86 0.02 0.00 0.82 0.00 0.00 66.70 65.68 2pkr h VAL 158 Cb 0.84 1.82 -0.04 0.00 -1.52 0.00 0.00 31.29 32.40 2pkr h VAL 158 CO 0.00 0.58 0.41 0.50 0.02 0.00 0.00 177.57 179.08 2pkr h LYS 159 N 0.45 0.79 -0.35 1.57 3.64 -0.59 0.38 116.57 122.45 2pkr h LYS 159 Ca -0.00 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 2pkr h LYS 159 Cb 1.16 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 2pkr h LYS 159 CO 0.11 0.52 -0.02 0.28 -2.27 0.00 0.00 179.45 178.07 2pkr h VAL 160 N 0.82 1.27 -0.87 2.00 2.07 -1.40 -1.91 116.25 118.23 2pkr h VAL 160 Ca 0.25 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 2pkr h VAL 160 Cb -0.02 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2pkr h VAL 160 CO -0.09 0.34 0.53 -0.07 0.02 0.00 0.00 177.57 178.30 2pkr h LEU 161 N 0.45 1.04 -0.61 2.57 3.38 -0.59 -1.05 115.31 120.50 2pkr h LEU 161 Ca 0.10 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 2pkr h LEU 161 Cb 0.50 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2pkr h LEU 161 CO 0.02 0.80 -0.31 -0.78 0.09 0.00 0.00 178.44 178.26 2pkr h ASP 162 N 1.19 0.79 -0.17 -0.43 3.58 -0.83 0.96 116.42 121.51 2pkr h ASP 162 Ca 0.31 -0.32 -0.19 0.00 0.42 0.00 0.00 57.03 57.25 2pkr h ASP 162 Cb -0.05 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 40.79 2pkr h ASP 162 CO -0.06 1.04 -0.65 1.56 -2.88 0.00 0.00 179.24 178.25 2pkr h GLN 163 N 0.64 0.74 0.00 0.28 4.20 -1.11 -2.08 115.11 117.77 2pkr h GLN 163 Ca 0.07 -0.57 -0.23 0.00 0.06 0.00 0.00 58.65 57.98 2pkr h GLN 163 Cb 0.84 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.70 2pkr h GLN 163 CO 0.07 1.18 -1.23 0.87 -0.67 0.00 0.00 178.83 179.06 2pkr h LYS 164 N 0.45 0.00 0.00 1.46 6.56 -1.19 -3.42 116.57 120.43 2pkr h LYS 164 Ca -0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 2pkr h LYS 164 Cb 1.28 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.94 2pkr h LYS 164 CO 0.14 0.80 -0.24 1.19 -2.06 0.00 0.00 179.45 179.27 2pkr n PHE 165 N -3.23 0.00 -1.59 -1.35 3.72 0.28 -4.96 117.46 110.33 2pkr n PHE 165 Ca -0.06 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.34 2pkr n PHE 165 Cb 0.97 0.00 -0.01 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 0.78 -3.77 3.66 1.37 0.00 -0.78 -1.94 105.19 104.51 2pkr n GLY 166 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.20 4.77 -0.17 -0.61 1.01 -1.26 -0.21 121.20 124.52 2pkr s ILE 167 Ca -0.04 1.86 -0.23 0.00 0.00 0.00 0.00 60.65 62.24 2pkr s ILE 167 Cb 0.00 -4.24 -0.20 0.00 0.01 0.00 0.00 42.46 38.03 2pkr s ILE 167 CO 0.09 -0.09 0.43 0.40 0.00 0.00 0.00 174.94 175.77 2pkr h ILE 168 N 5.34 1.20 -2.50 2.92 2.04 -1.37 -3.48 117.51 121.66 2pkr h ILE 168 Ca -0.24 -2.12 0.13 0.00 1.00 0.00 0.00 64.86 63.62 2pkr h ILE 168 Cb 1.10 2.50 -0.09 0.00 -0.74 0.00 0.00 36.82 39.58 2pkr h ILE 168 CO 0.91 0.41 0.42 -1.59 0.00 0.00 0.00 178.15 178.29 2pkr s LYS 169 N -2.25 1.23 0.02 2.37 -2.85 -1.22 -4.82 119.74 112.22 2pkr s LYS 169 Ca -0.22 -0.63 -0.29 0.00 -1.00 0.00 0.00 55.97 53.83 2pkr s LYS 169 Cb 0.01 0.45 0.11 0.00 -2.06 0.00 0.00 37.83 36.34 2pkr s LYS 169 CO 0.58 -0.56 1.20 0.20 0.10 0.00 0.00 175.35 176.88 2pkr s GLY 170 N -2.83 -0.37 0.06 0.59 0.00 -0.12 -0.67 107.32 103.99 2pkr s GLY 170 Ca 0.10 0.57 0.03 0.00 0.00 0.00 0.00 44.72 45.41 2pkr s GLY 170 CO -0.01 0.10 -0.09 -1.08 0.00 0.00 0.00 173.10 172.03 2pkr s THR 171 N -2.65 0.68 0.02 0.90 -1.32 0.61 -2.76 115.64 111.12 2pkr s THR 171 Ca 0.13 -1.34 0.00 0.00 -1.21 0.00 0.00 61.69 59.28 2pkr s THR 171 Cb 0.03 -0.96 -0.02 0.00 -1.51 0.00 0.00 72.50 70.05 2pkr s THR 171 CO -0.02 -0.48 -0.03 0.00 -2.21 0.00 0.00 174.62 171.87 2pkr s MET 172 N -2.18 0.31 -0.05 7.08 0.23 -0.01 -1.32 119.30 123.36 2pkr s MET 172 Ca -0.03 -0.58 0.01 0.00 -1.03 0.00 0.00 55.69 54.05 2pkr s MET 172 Cb -0.06 0.07 0.02 0.00 -1.53 0.00 0.00 34.83 33.33 2pkr s MET 172 CO -0.00 -0.04 -0.05 0.99 -2.03 0.00 0.00 175.02 173.89 2pkr s THR 173 N -1.36 0.57 -0.18 3.16 2.01 -0.19 -1.12 115.64 118.52 2pkr s THR 173 Ca -0.15 -0.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 2pkr s THR 173 Cb -0.09 -0.61 -0.01 0.00 0.01 0.00 0.00 72.50 71.80 2pkr s THR 173 CO -0.01 0.24 -0.08 0.28 -0.69 0.00 0.00 174.62 174.37 2pkr s THR 174 N 1.05 3.26 -0.65 -0.82 -1.32 -0.77 -0.09 115.64 116.31 2pkr s THR 174 Ca -0.09 -0.55 -0.21 0.00 -1.21 0.00 0.00 61.69 59.63 2pkr s THR 174 Cb -0.14 -2.44 0.09 0.00 -1.51 0.00 0.00 72.50 68.50 2pkr s THR 174 CO -0.01 0.47 0.86 -0.89 -2.21 0.00 0.00 174.62 172.84 2pkr s THR 175 N 1.02 4.57 -0.10 5.08 2.01 -0.20 -0.06 115.64 127.95 2pkr s THR 175 Ca -0.00 -0.72 -0.02 0.00 0.31 0.00 0.00 61.69 61.25 2pkr s THR 175 Cb -0.15 -4.61 -0.03 0.00 0.01 0.00 0.00 72.50 67.72 2pkr s THR 175 CO -0.01 -1.32 -0.00 -2.28 -0.69 0.00 0.00 174.62 170.32 2pkr s HIS 176 N 3.36 3.14 0.80 4.92 5.04 -0.00 -1.73 115.29 130.83 2pkr s HIS 176 Ca 0.18 0.13 -0.13 0.00 -1.54 0.00 0.00 55.06 53.70 2pkr s HIS 176 Cb -0.19 -1.82 0.08 0.00 0.04 0.00 0.00 32.58 30.69 2pkr s HIS 176 CO 0.07 0.39 1.19 -1.12 -2.34 0.00 0.00 174.74 172.94 2pkr s SER 177 N -0.67 3.65 0.69 9.88 0.01 -1.24 -0.84 113.70 125.18 2pkr s SER 177 Ca 0.11 2.32 -0.13 0.00 1.31 0.00 0.00 55.95 59.56 2pkr s SER 177 Cb -0.12 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.54 2pkr s SER 177 CO 0.02 -2.63 1.08 -0.72 0.41 0.00 0.00 173.24 171.40 2pkr s TYR 178 N -2.21 2.83 0.25 2.43 -0.85 -0.74 -4.70 117.35 114.35 2pkr s TYR 178 Ca 0.72 1.51 0.03 0.00 -0.52 0.00 0.00 57.07 58.80 2pkr s TYR 178 Cb -0.28 -3.02 -0.05 0.00 0.38 0.00 0.00 41.96 39.00 2pkr s TYR 178 CO 0.51 -1.46 0.03 0.95 -1.52 0.00 0.00 175.55 174.06 2pkr s THR 179 N -2.72 0.89 -0.11 -3.49 -4.23 -1.26 -4.71 115.64 100.00 2pkr s THR 179 Ca 0.62 -2.01 0.14 0.00 -1.18 0.00 0.00 61.69 59.26 2pkr s THR 179 Cb -0.17 -2.47 0.14 0.00 1.34 0.00 0.00 72.50 71.35 2pkr s THR 179 CO 0.48 -0.20 1.36 0.61 -0.54 0.00 0.00 174.62 176.33 2pkr n GLY 180 N -0.45 -0.66 0.11 3.99 0.00 -1.26 -0.59 105.19 106.32 2pkr n GLY 180 Ca -0.03 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.24 2pkr n GLY 180 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pkr n ASP 181 N -2.04 0.71 -4.94 1.61 2.03 -1.26 -4.80 116.55 107.86 2pkr n ASP 181 Ca -0.01 0.60 -0.24 0.00 0.52 0.00 0.00 54.79 55.66 2pkr n ASP 181 Cb 0.22 -0.78 0.03 0.00 -0.72 0.00 0.00 41.12 39.87 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 -3.17 2.77 -0.10 -0.67 -0.21 0.24 -4.97 119.66 113.55 2pkr s GLN 182 Ca 0.08 -0.33 -0.08 0.00 0.02 0.00 0.00 55.36 55.05 2pkr s GLN 182 Cb 0.11 -2.38 -0.04 0.00 1.00 0.00 0.00 33.01 31.71 2pkr s GLN 182 CO 0.52 -0.67 0.18 1.03 -2.12 0.00 0.00 175.29 174.23 2pkr s ARG 183 N -4.87 3.53 0.09 2.91 1.81 -1.08 -4.98 118.95 116.37 2pkr s ARG 183 Ca 0.54 -0.04 -0.22 0.00 -1.72 0.00 0.00 55.73 54.29 2pkr s ARG 183 Cb -0.10 -3.20 -0.13 0.00 -0.45 0.00 0.00 34.95 31.07 2pkr s ARG 183 CO 0.42 0.76 1.71 1.25 -0.68 0.00 0.00 175.30 178.75 2pkr h LEU 184 N 4.97 0.09 -8.64 2.53 5.85 -1.92 -1.39 115.31 116.80 2pkr h LEU 184 Ca -0.54 -0.05 -0.45 0.00 0.84 0.00 0.00 57.88 57.67 2pkr h LEU 184 Cb 1.23 -0.02 -0.19 0.00 0.37 0.00 0.00 40.66 42.05 2pkr h LEU 184 CO 0.59 0.12 -0.77 -0.76 -0.34 0.00 0.00 178.44 177.27 2pkr s LEU 185 N -10.08 2.39 -0.46 2.25 1.43 -1.26 -3.54 118.68 109.41 2pkr s LEU 185 Ca -0.13 -0.79 -0.42 0.00 -1.03 0.00 0.00 54.13 51.75 2pkr s LEU 185 Cb 0.06 -0.64 -0.17 0.00 0.03 0.00 0.00 46.19 45.48 2pkr s LEU 185 CO 0.67 -0.10 2.12 0.47 0.23 0.00 0.00 176.35 179.75 2pkr n ASP 186 N 0.61 1.10 -3.58 2.29 9.92 -1.25 -4.52 116.55 121.11 2pkr n ASP 186 Ca -0.16 0.65 -0.14 0.00 -0.53 0.00 0.00 54.79 54.61 2pkr n ASP 186 Cb 0.56 -0.98 -0.06 0.00 -0.64 0.00 0.00 41.12 40.00 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 6.12 0.75 0.37 2.24 0.00 -0.56 -4.97 121.76 125.71 2pkr s ALA 187 Ca 1.17 -1.48 -0.28 0.00 0.00 0.00 0.00 51.96 51.37 2pkr s ALA 187 Cb -1.35 1.21 -0.11 0.00 0.00 0.00 0.00 23.12 22.87 2pkr s ALA 187 CO 0.63 -0.76 1.43 0.43 0.00 0.00 0.00 175.76 177.50 2pkr n SER 188 N -1.02 3.51 -3.64 0.00 7.64 -1.26 -4.59 113.62 114.26 2pkr n SER 188 Ca 0.01 1.22 -0.08 0.00 1.01 0.00 0.00 58.87 61.03 2pkr n SER 188 Cb 0.62 -1.58 -0.07 0.00 -1.01 0.00 0.00 64.21 62.17 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 -1.09 -0.57 0.53 1.43 5.04 -1.26 -4.89 115.29 114.48 2pkr s HIS 190 Ca 0.54 1.32 0.18 0.00 -1.54 0.00 0.00 55.06 55.56 2pkr s HIS 190 Cb -0.50 0.37 1.36 0.00 0.04 0.00 0.00 32.58 33.85 2pkr s HIS 190 CO 0.63 -0.28 2.17 0.07 -2.34 0.00 0.00 174.74 174.99 2pkr h ARG 191 N 4.87 0.00 -4.76 2.88 0.11 -1.98 -3.34 114.38 112.15 2pkr h ARG 191 Ca -0.28 0.00 -0.70 0.00 0.10 0.00 0.00 59.98 59.09 2pkr h ARG 191 Cb 1.18 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 32.07 2pkr h ARG 191 CO 0.12 0.00 -0.11 0.34 0.10 0.00 0.00 179.97 180.43 2pkr s ASP 192 N -6.92 6.20 0.28 0.08 -1.08 -1.26 -4.94 116.67 109.03 2pkr s ASP 192 Ca -0.05 -0.98 0.19 0.00 -0.52 0.00 0.00 52.55 51.19 2pkr s ASP 192 Cb 0.17 -2.25 1.01 0.00 -1.46 0.00 0.00 42.92 40.39 2pkr s ASP 192 CO 0.65 -0.76 1.58 0.18 0.52 0.00 0.00 175.17 177.33 2pkr n LEU 193 N 5.79 0.49 -0.02 -1.34 4.77 -1.25 -1.74 117.00 123.69 2pkr n LEU 193 Ca -0.08 0.72 -0.18 0.00 -0.03 0.00 0.00 56.01 56.44 2pkr n LEU 193 Cb 0.45 -0.78 -0.14 0.00 -2.33 0.00 0.00 43.42 40.62 2pkr n LEU 193 CO 0.51 -0.88 -0.83 0.54 -1.33 0.00 0.00 177.39 175.40 2pkr n ARG 194 N -2.15 0.72 0.00 3.23 1.74 -1.26 -3.90 116.66 115.04 2pkr n ARG 194 Ca -0.01 0.25 0.08 0.00 -0.77 0.00 0.00 57.85 57.39 2pkr n ARG 194 Cb 0.04 -1.70 0.35 0.00 -1.02 0.00 0.00 32.46 30.14 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 -3.34 0.00 0.15 5.56 1.74 -0.75 -2.04 116.66 117.98 2pkr n ARG 195 Ca -0.31 0.21 0.13 0.00 -0.77 0.00 0.00 57.85 57.12 2pkr n ARG 195 Cb 1.05 -1.50 0.47 0.00 -1.02 0.00 0.00 32.46 31.45 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 2.57 1.00 -2.69 7.54 0.00 -1.45 -2.86 119.26 123.37 2pkr h ALA 196 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 2pkr h ALA 196 Cb 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2pkr h ALA 196 CO 0.00 0.00 0.01 1.03 0.00 0.00 0.00 179.25 180.29 2pkr s ARG 197 N -3.30 4.27 -0.45 0.00 1.81 -0.87 -1.49 118.95 118.92 2pkr s ARG 197 Ca 0.06 0.82 -0.23 0.00 -1.72 0.00 0.00 55.73 54.66 2pkr s ARG 197 Cb 0.10 -3.21 -0.12 0.00 -0.45 0.00 0.00 34.95 31.27 2pkr s ARG 197 CO 0.50 0.61 1.45 0.00 -0.68 0.00 0.00 175.30 177.18 2pkr n ALA 198 N 1.59 0.15 0.01 2.13 0.00 -1.26 -4.55 120.51 118.59 2pkr n ALA 198 Ca -0.09 -0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.35 2pkr n ALA 198 Cb 0.50 -1.31 0.39 0.00 0.00 0.00 0.00 19.45 19.03 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 6.30 1.59 -0.01 0.00 0.00 -1.29 -2.54 119.26 123.32 2pkr h ALA 199 Ca -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2pkr h ALA 199 Cb 0.82 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2pkr h ALA 199 CO 0.74 0.33 -0.09 0.00 0.00 0.00 0.00 179.25 180.23 2pkr n LEU 201 N -0.62 1.31 -4.18 0.00 4.77 -0.97 -4.75 117.00 112.56 2pkr n LEU 201 Ca 0.17 -0.80 -0.11 0.00 -0.03 0.00 0.00 56.01 55.24 2pkr n LEU 201 Cb 0.28 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.27 2pkr n LEU 201 CO 0.21 0.26 -0.32 0.20 -1.33 0.00 0.00 177.39 176.41 2pkr s ASN 202 N -1.28 0.74 -0.28 -1.43 -0.87 -1.15 -5.08 114.94 105.58 2pkr s ASN 202 Ca 0.09 -1.16 -0.10 0.00 -1.57 0.00 0.00 52.86 50.11 2pkr s ASN 202 Cb 0.08 0.20 -0.03 0.00 -0.02 0.00 0.00 41.25 41.48 2pkr s ASN 202 CO 0.23 -0.64 0.15 -0.63 -2.57 0.00 0.00 177.10 173.65 2pkr s ILE 203 N -3.86 4.89 -0.28 0.60 1.01 -1.26 -4.06 121.20 118.24 2pkr s ILE 203 Ca 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.77 2pkr s ILE 203 Cb 0.07 -3.37 0.04 0.00 0.01 0.00 0.00 42.46 39.21 2pkr s ILE 203 CO 0.01 0.22 -0.01 -0.69 0.00 0.00 0.00 174.94 174.47 2pkr s VAL 204 N 1.69 3.05 0.37 2.92 1.01 0.16 -4.93 120.40 124.68 2pkr s VAL 204 Ca 0.06 -1.20 -0.25 0.00 0.00 0.00 0.00 61.98 60.60 2pkr s VAL 204 Cb -0.16 -2.67 -0.09 0.00 0.00 0.00 0.00 36.38 33.45 2pkr s VAL 204 CO 0.08 0.01 1.01 -2.84 0.00 0.00 0.00 175.10 173.36 2pkr s PRO 205 N 1.30 4.31 0.09 2.72 0.02 -1.26 0.12 135.00 142.31 2pkr s PRO 205 Ca -0.03 1.43 -0.26 0.00 0.02 0.00 0.00 61.00 62.16 2pkr s PRO 205 Cb -0.18 -2.61 0.07 0.00 0.02 0.00 0.00 34.50 31.80 2pkr s PRO 205 CO -0.02 0.01 0.64 -0.08 -0.33 0.00 0.00 177.00 177.22 2pkr s THR 206 N -1.68 0.00 0.86 0.99 -1.32 0.14 -4.70 115.64 109.92 2pkr s THR 206 Ca 0.55 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.92 2pkr s THR 206 Cb -0.20 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 69.90 2pkr s THR 206 CO 0.25 0.00 1.09 -0.94 -2.21 0.00 0.00 174.62 172.82 2pkr s SER 207 N -2.29 3.78 -0.13 8.08 1.04 -1.26 -1.25 113.70 121.67 2pkr s SER 207 Ca -0.02 1.67 -0.14 0.00 0.48 0.00 0.00 55.95 57.93 2pkr s SER 207 Cb -0.01 -2.34 0.04 0.00 0.10 0.00 0.00 66.02 63.81 2pkr s SER 207 CO -0.06 -2.47 0.40 0.28 0.98 0.00 0.00 173.24 172.36 2pkr s THR 208 N -2.89 0.01 -1.96 2.02 -1.32 -1.26 -4.57 115.64 105.66 2pkr s THR 208 Ca 0.63 -0.06 0.17 0.00 -1.21 0.00 0.00 61.69 61.22 2pkr s THR 208 Cb -0.18 -0.58 0.23 0.00 -1.51 0.00 0.00 72.50 70.46 2pkr s THR 208 CO 0.57 -0.03 1.14 0.61 -2.21 0.00 0.00 174.62 174.70 2pkr n GLY 209 N 2.62 0.95 0.37 6.08 0.00 -1.26 -4.49 105.19 109.45 2pkr n GLY 209 Ca -0.14 -0.52 0.17 0.00 0.00 0.00 0.00 46.02 45.52 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 3.33 1.87 0.19 4.61 0.00 -1.96 0.51 119.26 127.80 2pkr h ALA 210 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2pkr h ALA 210 Cb 0.76 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2pkr h ALA 210 CO 0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 179.25 178.87 2pkr h ALA 211 N 1.66 -0.28 -0.03 0.00 0.00 -1.91 0.43 119.26 119.14 2pkr h ALA 211 Ca 0.59 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.32 2pkr h ALA 211 Cb 1.14 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2pkr h ALA 211 CO -0.37 -0.66 -0.58 1.57 0.00 0.00 0.00 179.25 179.20 2pkr h LYS 212 N -0.29 0.10 -0.17 0.00 2.10 -1.53 -2.94 116.57 113.84 2pkr h LYS 212 Ca -0.02 -0.07 -0.07 0.00 -2.00 0.00 0.00 60.65 58.50 2pkr h LYS 212 Cb 0.24 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.56 2pkr h LYS 212 CO 0.02 0.65 -0.19 0.00 -2.00 0.00 0.00 179.45 177.93 2pkr h ALA 213 N 1.33 1.36 -0.88 0.07 0.00 0.29 -2.26 119.26 119.18 2pkr h ALA 213 Ca -0.00 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2pkr h ALA 213 Cb 1.05 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 2pkr h ALA 213 CO 0.08 0.44 0.58 0.28 0.00 0.00 0.00 179.25 180.63 2pkr h VAL 214 N 0.27 1.21 0.00 0.00 2.07 -0.73 -1.21 116.25 117.86 2pkr h VAL 214 Ca 0.05 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 2pkr h VAL 214 Cb 0.50 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2pkr h VAL 214 CO 0.03 0.22 -0.09 0.00 0.02 0.00 0.00 177.57 177.75 2pkr h ALA 215 N 1.33 1.63 -0.51 1.67 0.00 -1.45 0.24 119.26 122.17 2pkr h ALA 215 Ca 0.33 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 2pkr h ALA 215 Cb -0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2pkr h ALA 215 CO -0.08 0.11 -0.03 -0.07 0.00 0.00 0.00 179.25 179.18 2pkr h LEU 216 N 0.00 0.91 0.00 0.00 3.38 -1.10 -2.18 115.31 116.31 2pkr h LEU 216 Ca -0.00 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2pkr h LEU 216 Cb 0.18 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2pkr h LEU 216 CO 0.01 1.01 -0.78 1.33 0.09 0.00 0.00 178.44 180.10 2pkr n VAL 217 N -4.27 0.06 -3.48 1.22 0.24 -0.76 -4.47 118.33 106.86 2pkr n VAL 217 Ca 0.01 -0.08 -0.27 0.00 -2.04 0.00 0.00 64.34 61.96 2pkr n VAL 217 Cb 0.34 0.42 -0.10 0.00 -1.47 0.00 0.00 33.84 33.03 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 -1.65 0.33 -0.41 1.34 4.77 0.77 -4.54 117.00 117.60 2pkr n LEU 218 Ca 0.04 -4.58 0.35 0.00 -0.03 0.00 0.00 56.01 51.79 2pkr n LEU 218 Cb 0.37 0.27 0.68 0.00 -2.33 0.00 0.00 43.42 42.40 2pkr n LEU 218 CO 0.39 1.85 1.30 -0.65 -1.33 0.00 0.00 177.39 178.95 2pkr h PRO 219 N 5.46 0.12 0.00 3.23 0.11 -1.62 0.11 132.00 139.41 2pkr h PRO 219 Ca 0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.34 2pkr h PRO 219 Cb 0.87 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2pkr h PRO 219 CO 0.45 0.08 0.00 -0.97 -0.21 0.00 0.00 178.00 177.35 2pkr h ASN 220 N 0.12 0.00 -0.17 -2.05 -1.24 -1.95 -1.04 115.58 109.25 2pkr h ASN 220 Ca 0.69 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.70 2pkr h ASN 220 Cb 2.38 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.43 2pkr h ASN 220 CO -0.18 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.14 2pkr n LEU 221 N -2.55 2.65 -4.60 0.34 7.99 0.39 -4.92 117.00 116.30 2pkr n LEU 221 Ca -0.00 -1.02 -0.52 0.00 -0.01 0.00 0.00 56.01 54.45 2pkr n LEU 221 Cb 0.14 -0.10 -0.06 0.00 -0.11 0.00 0.00 43.42 43.28 2pkr n LEU 221 CO 0.17 0.51 0.95 1.17 -1.51 0.00 0.00 177.39 178.68 2pkr n LYS 222 N 1.01 1.21 -0.88 3.23 4.81 -0.40 -1.09 118.16 126.06 2pkr n LYS 222 Ca 0.17 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 2pkr n LYS 222 Cb 0.51 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.47 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 2.69 0.22 0.03 3.14 0.00 -1.26 -4.84 105.19 105.17 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 -0.91 0.42 -4.33 1.61 5.02 -0.25 -4.99 118.16 114.74 2pkr n LYS 224 Ca 0.00 -0.06 -0.18 0.00 -2.02 0.00 0.00 58.31 56.04 2pkr n LYS 224 Cb 0.22 -1.58 -0.10 0.00 -0.02 0.00 0.00 35.03 33.55 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 -4.18 2.53 0.27 -0.35 1.43 -1.26 -0.94 118.68 116.19 2pkr s LEU 225 Ca -0.01 -0.99 -0.19 0.00 -1.03 0.00 0.00 54.13 51.91 2pkr s LEU 225 Cb 0.14 -0.65 0.01 0.00 0.03 0.00 0.00 46.19 45.72 2pkr s LEU 225 CO 0.85 -0.17 0.66 0.21 0.23 0.00 0.00 176.35 178.13 2pkr s ASN 226 N -3.18 -0.22 0.00 2.29 2.47 -1.11 -4.55 114.94 110.63 2pkr s ASN 226 Ca 0.20 -0.68 0.00 0.00 0.42 0.00 0.00 52.86 52.81 2pkr s ASN 226 Cb -0.01 0.69 0.00 0.00 -1.45 0.00 0.00 41.25 40.48 2pkr s ASN 226 CO 0.06 -1.29 0.00 0.61 -3.72 0.00 0.00 177.10 172.76 2pkr n GLY 227 N -0.44 -1.29 3.57 1.21 0.00 -1.26 -0.83 105.19 106.15 2pkr n GLY 227 Ca -0.04 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.94 0.00 0.08 -0.61 -5.25 -0.28 -4.47 121.20 107.74 2pkr s ILE 228 Ca 0.00 -1.44 0.07 0.00 -0.99 0.00 0.00 60.65 58.29 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 -0.18 0.00 -1.79 0.00 0.00 174.94 172.97 2pkr s ALA 229 N -2.93 1.49 -0.31 2.27 0.00 -0.38 -1.84 121.76 120.05 2pkr s ALA 229 Ca 0.26 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 51.16 2pkr s ALA 229 Cb -0.02 -0.19 0.09 0.00 0.00 0.00 0.00 23.12 23.01 2pkr s ALA 229 CO 0.17 0.27 0.04 -0.51 0.00 0.00 0.00 175.76 175.73 2pkr s LEU 230 N -1.70 3.76 0.14 0.00 1.43 0.91 -0.69 118.68 122.54 2pkr s LEU 230 Ca 0.03 -1.85 -0.30 0.00 -1.03 0.00 0.00 54.13 50.98 2pkr s LEU 230 Cb -0.10 -1.38 -0.07 0.00 0.03 0.00 0.00 46.19 44.68 2pkr s LEU 230 CO 0.03 -0.36 1.13 -0.13 0.23 0.00 0.00 176.35 177.25 2pkr s ARG 231 N 1.16 4.54 0.20 1.70 1.81 0.12 -0.82 118.95 127.66 2pkr s ARG 231 Ca 0.07 1.73 0.07 0.00 -1.72 0.00 0.00 55.73 55.88 2pkr s ARG 231 Cb -0.19 -3.30 -0.05 0.00 -0.45 0.00 0.00 34.95 30.97 2pkr s ARG 231 CO -0.12 -0.03 -0.12 0.14 -0.68 0.00 0.00 175.30 174.50 2pkr s VAL 232 N 0.15 1.57 0.00 3.52 -7.23 -0.02 0.36 120.40 118.74 2pkr s VAL 232 Ca 0.52 -2.16 -0.01 0.00 -1.81 0.00 0.00 61.98 58.52 2pkr s VAL 232 Cb -0.29 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 2pkr s VAL 232 CO 0.33 -0.58 0.94 -2.65 -0.31 0.00 0.00 175.10 172.83 2pkr n PRO 233 N -0.36 0.32 -4.89 4.82 -0.02 -1.26 -2.90 135.00 130.72 2pkr n PRO 233 Ca -0.08 -0.15 -0.26 0.00 -2.02 0.00 0.00 63.50 60.99 2pkr n PRO 233 Cb 0.61 -1.56 -0.16 0.00 -0.02 0.00 0.00 33.50 32.37 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 2.50 1.46 -0.07 3.45 -4.23 -1.26 -5.00 115.64 112.49 2pkr s THR 234 Ca 0.10 -0.78 0.31 0.00 -1.18 0.00 0.00 61.69 60.14 2pkr s THR 234 Cb 0.05 -1.23 0.36 0.00 1.34 0.00 0.00 72.50 73.02 2pkr s THR 234 CO 0.00 0.42 1.90 1.55 -0.54 0.00 0.00 174.62 177.95 2pkr h PRO 235 N 5.83 0.00 -1.63 3.99 0.13 -1.88 -1.98 132.00 136.46 2pkr h PRO 235 Ca -0.36 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.88 2pkr h PRO 235 Cb 1.15 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.07 2pkr h PRO 235 CO 0.48 0.00 0.60 1.21 -0.23 0.00 0.00 178.00 180.06 2pkr s ASN 236 N -5.37 -0.32 0.00 1.44 2.47 -1.26 -4.65 114.94 107.25 2pkr s ASN 236 Ca 0.02 0.27 0.00 0.00 0.42 0.00 0.00 52.86 53.57 2pkr s ASN 236 Cb 0.09 0.28 0.00 0.00 -1.45 0.00 0.00 41.25 40.17 2pkr s ASN 236 CO 0.52 -0.35 0.00 0.52 -3.72 0.00 0.00 177.10 174.06 2pkr n VAL 237 N 0.47 -0.64 -4.35 -5.21 0.31 -1.26 -4.90 118.33 102.74 2pkr n VAL 237 Ca -0.08 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.07 2pkr n VAL 237 Cb 0.59 -0.64 -0.10 0.00 -0.91 0.00 0.00 33.84 32.77 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 -0.40 1.53 -0.06 4.52 0.01 0.28 -3.63 113.70 115.95 2pkr s SER 238 Ca 0.00 -1.43 -0.03 0.00 1.31 0.00 0.00 55.95 55.80 2pkr s SER 238 Cb 0.00 0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.44 2pkr s SER 238 CO 0.00 -0.75 0.14 0.54 0.41 0.00 0.00 173.24 173.58 2pkr s VAL 239 N -3.62 -0.03 -0.13 3.43 0.11 -0.71 -1.14 120.40 118.30 2pkr s VAL 239 Ca 0.36 0.12 -0.09 0.00 -2.93 0.00 0.00 61.98 59.45 2pkr s VAL 239 Cb 0.07 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.65 2pkr s VAL 239 CO 0.15 0.05 0.17 0.68 -3.33 0.00 0.00 175.10 172.82 2pkr s VAL 240 N 0.81 5.43 -0.32 2.04 -7.23 -0.21 -1.04 120.40 119.89 2pkr s VAL 240 Ca -0.06 0.28 -0.02 0.00 -1.81 0.00 0.00 61.98 60.37 2pkr s VAL 240 Cb -0.08 -3.46 0.06 0.00 0.56 0.00 0.00 36.38 33.46 2pkr s VAL 240 CO -0.04 0.57 0.03 -0.62 -0.31 0.00 0.00 175.10 174.73 2pkr s ASP 241 N -0.66 4.94 -0.15 4.85 2.15 0.88 -1.50 116.67 127.18 2pkr s ASP 241 Ca 0.14 -1.41 -0.02 0.00 0.43 0.00 0.00 52.55 51.69 2pkr s ASP 241 Cb -0.12 -1.73 -0.02 0.00 -0.30 0.00 0.00 42.92 40.75 2pkr s ASP 241 CO 0.04 -0.30 -0.08 -0.22 -0.17 0.00 0.00 175.17 174.43 2pkr s LEU 242 N 1.22 2.97 -0.13 -1.34 2.96 -0.47 -1.02 118.68 122.88 2pkr s LEU 242 Ca -0.03 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 2pkr s LEU 242 Cb -0.20 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 44.80 2pkr s LEU 242 CO -0.02 0.15 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.28 2pkr s VAL 243 N 0.44 1.90 0.02 1.68 1.01 -0.43 -0.55 120.40 124.47 2pkr s VAL 243 Ca -0.07 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.03 2pkr s VAL 243 Cb -0.15 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 2pkr s VAL 243 CO 0.04 0.52 -0.03 0.68 0.00 0.00 0.00 175.10 176.31 2pkr s VAL 244 N 0.86 0.10 -0.14 2.92 -7.23 -0.34 -0.29 120.40 116.28 2pkr s VAL 244 Ca -0.07 -0.82 -0.11 0.00 -1.81 0.00 0.00 61.98 59.17 2pkr s VAL 244 Cb -0.15 -0.24 -0.05 0.00 0.56 0.00 0.00 36.38 36.50 2pkr s VAL 244 CO -0.02 -0.45 0.22 -1.58 -0.31 0.00 0.00 175.10 172.96 2pkr s GLN 245 N -1.31 3.98 0.32 4.82 0.74 0.15 -0.22 119.66 128.14 2pkr s GLN 245 Ca -0.14 -0.02 0.09 0.00 0.05 0.00 0.00 55.36 55.34 2pkr s GLN 245 Cb -0.09 -3.34 -0.05 0.00 1.10 0.00 0.00 33.01 30.63 2pkr s GLN 245 CO -0.01 0.45 0.05 0.14 -0.55 0.00 0.00 175.29 175.37 2pkr s VAL 246 N -0.13 2.98 0.06 1.34 -7.23 0.31 -0.97 120.40 116.75 2pkr s VAL 246 Ca 0.14 -1.87 0.07 0.00 -1.81 0.00 0.00 61.98 58.51 2pkr s VAL 246 Cb -0.13 -2.86 -0.23 0.00 0.56 0.00 0.00 36.38 33.72 2pkr s VAL 246 CO 0.03 -0.24 1.07 0.77 -0.31 0.00 0.00 175.10 176.41 2pkr h SER 247 N 1.75 0.07 -3.70 4.85 4.64 0.09 -3.45 113.55 117.80 2pkr h SER 247 Ca -0.43 -0.09 -0.63 0.00 -0.47 0.00 0.00 61.79 60.17 2pkr h SER 247 Cb 1.25 -0.02 -0.15 0.00 -0.31 0.00 0.00 62.40 63.17 2pkr h SER 247 CO 0.64 1.08 -0.42 -0.75 -0.87 0.00 0.00 176.83 176.50 2pkr s LYS 248 N -2.67 4.03 0.44 4.77 2.20 -0.83 -5.05 119.74 122.64 2pkr s LYS 248 Ca -0.02 -0.17 -0.25 0.00 -0.36 0.00 0.00 55.97 55.17 2pkr s LYS 248 Cb 0.09 -3.60 -0.09 0.00 -1.51 0.00 0.00 37.83 32.72 2pkr s LYS 248 CO 0.83 -0.10 1.29 1.63 -0.36 0.00 0.00 175.35 178.64 2pkr n LYS 249 N 4.77 1.92 -1.59 4.03 5.02 -1.26 -4.85 118.16 126.19 2pkr n LYS 249 Ca -0.13 0.69 -0.02 0.00 -2.02 0.00 0.00 58.31 56.83 2pkr n LYS 249 Cb 0.52 -2.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.10 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 -0.34 0.00 -3.89 -0.18 5.66 0.12 -5.01 114.28 110.64 2pkr n THR 250 Ca 0.07 -0.19 -0.10 0.00 -3.05 0.00 0.00 64.05 60.78 2pkr n THR 250 Cb 0.41 0.15 -0.09 0.00 -1.55 0.00 0.00 70.33 69.24 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 -6.81 0.11 0.29 1.09 -0.71 -1.26 -4.59 117.98 106.10 2pkr s PHE 251 Ca 0.03 -0.31 -0.00 0.00 -1.04 0.00 0.00 56.93 55.61 2pkr s PHE 251 Cb -0.01 -0.08 0.68 0.00 -1.21 0.00 0.00 43.02 42.40 2pkr s PHE 251 CO 0.02 -0.35 1.59 0.00 -1.34 0.00 0.00 175.22 175.14 2pkr h ALA 252 N 3.84 1.09 0.00 1.99 0.00 -1.88 -0.24 119.26 124.06 2pkr h ALA 252 Ca -0.32 0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2pkr h ALA 252 Cb 1.19 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 2pkr h ALA 252 CO 0.46 -0.52 -0.48 0.93 0.00 0.00 0.00 179.25 179.64 2pkr h GLU 253 N 0.05 0.00 -0.31 0.00 3.07 -1.96 -1.64 114.58 113.79 2pkr h GLU 253 Ca 0.55 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 59.23 2pkr h GLU 253 Cb 1.10 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.01 2pkr h GLU 253 CO -0.84 0.48 -0.50 1.49 -1.40 0.00 0.00 179.01 178.24 2pkr h GLU 254 N 0.00 0.89 -0.31 2.33 4.81 -1.50 -1.09 114.58 119.71 2pkr h GLU 254 Ca -0.00 -0.53 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 2pkr h GLU 254 Cb 0.88 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 2pkr h GLU 254 CO 0.06 1.17 0.11 0.28 -0.73 0.00 0.00 179.01 179.91 2pkr h VAL 255 N 0.69 1.19 -0.77 0.32 2.07 -1.07 -1.52 116.25 117.16 2pkr h VAL 255 Ca 0.03 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 66.96 2pkr h VAL 255 Cb 1.11 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 2pkr h VAL 255 CO 0.11 0.21 0.50 0.78 0.02 0.00 0.00 177.57 179.19 2pkr h ASN 256 N 0.35 0.85 -0.41 0.57 -0.26 -1.21 -1.89 115.58 113.58 2pkr h ASN 256 Ca 0.10 -0.01 0.02 0.00 -0.56 0.00 0.00 56.30 55.85 2pkr h ASN 256 Cb 0.21 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.24 2pkr h ASN 256 CO -0.01 0.60 0.24 0.00 -1.06 0.00 0.00 177.43 177.20 2pkr h ALA 257 N 1.30 0.52 -0.92 -0.83 0.00 -0.93 -1.07 119.26 117.33 2pkr h ALA 257 Ca 0.29 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.28 2pkr h ALA 257 Cb -0.06 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 2pkr h ALA 257 CO -0.08 -0.09 0.59 0.00 0.00 0.00 0.00 179.25 179.66 2pkr h ALA 258 N 1.18 1.56 -0.42 0.00 0.00 -0.52 -0.46 119.26 120.60 2pkr h ALA 258 Ca 0.16 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2pkr h ALA 258 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2pkr h ALA 258 CO -0.08 0.27 -0.21 0.74 0.00 0.00 0.00 179.25 179.98 2pkr h PHE 259 N 0.97 1.02 -0.65 0.00 0.04 -0.71 -2.92 116.94 114.68 2pkr h PHE 259 Ca 0.41 -0.25 -0.04 0.00 2.80 0.00 0.00 57.97 60.89 2pkr h PHE 259 Cb 0.32 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.20 2pkr h PHE 259 CO -0.00 1.04 0.25 0.00 -0.60 0.00 0.00 178.31 179.00 2pkr h ARG 260 N 0.70 0.97 -0.22 1.51 3.08 0.10 -0.09 114.38 120.43 2pkr h ARG 260 Ca 0.09 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 59.99 2pkr h ARG 260 Cb 0.77 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 2pkr h ARG 260 CO 0.06 0.80 0.11 0.93 -1.07 0.00 0.00 179.97 180.80 2pkr h GLU 261 N 0.95 0.23 -0.30 0.04 5.08 -1.09 -1.30 114.58 118.18 2pkr h GLU 261 Ca 0.22 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 2pkr h GLU 261 Cb 0.20 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2pkr h GLU 261 CO -0.02 0.15 -0.00 0.77 -1.00 0.00 0.00 179.01 178.91 2pkr h SER 262 N 0.23 0.53 -0.91 1.42 0.02 -1.30 -2.51 113.55 111.03 2pkr h SER 262 Ca 0.09 -0.31 0.15 0.00 -0.84 0.00 0.00 61.79 60.88 2pkr h SER 262 Cb 0.03 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 62.35 2pkr h SER 262 CO -0.07 0.71 0.58 0.00 -1.14 0.00 0.00 176.83 176.92 2pkr h ALA 263 N 0.84 1.81 -0.00 3.77 0.00 -0.75 0.14 119.26 125.06 2pkr h ALA 263 Ca 0.09 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2pkr h ALA 263 Cb 0.44 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2pkr h ALA 263 CO 0.02 -0.06 -0.21 -0.25 0.00 0.00 0.00 179.25 178.74 2pkr n ASP 264 N -4.58 0.52 0.00 0.00 8.00 -0.51 -2.95 116.55 117.04 2pkr n ASP 264 Ca 0.18 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.26 2pkr n ASP 264 Cb 0.47 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 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 0.27 -2.24 3.02 0.23 -4.83 115.26 110.61 2pkr n ASN 265 Ca 0.11 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.82 2pkr n ASN 265 Cb 0.31 0.00 0.90 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 -2.37 114.58 122.67 2pkr h GLU 266 Ca 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.33 2pkr h GLU 266 Cb 0.00 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.05 2pkr h GLU 266 CO 0.00 0.00 0.03 1.28 0.05 0.00 0.00 179.01 180.37 2pkr n LEU 267 N -3.75 4.39 -4.72 3.06 4.77 0.19 -5.00 117.00 115.94 2pkr n LEU 267 Ca -0.01 -3.21 -0.42 0.00 -0.03 0.00 0.00 56.01 52.33 2pkr n LEU 267 Cb 0.18 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.64 2pkr n LEU 267 CO 0.27 0.82 1.35 -0.75 -1.33 0.00 0.00 177.39 177.74 2pkr s LYS 268 N -2.95 4.12 0.00 3.23 2.20 -0.89 -0.89 119.74 124.56 2pkr s LYS 268 Ca 0.45 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.66 2pkr s LYS 268 Cb 0.38 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.63 2pkr s LYS 268 CO 0.08 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.75 2pkr n GLY 269 N 3.67 1.55 0.08 5.54 0.00 -1.26 -4.77 105.19 110.00 2pkr n GLY 269 Ca 0.15 0.00 -0.01 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 0.09 -4.89 -0.61 2.08 -0.18 -4.35 119.36 109.50 2pkr n ILE 270 Ca 0.00 -0.03 -0.26 0.00 0.56 0.00 0.00 62.75 63.02 2pkr n ILE 270 Cb 0.00 -0.62 -0.16 0.00 -0.75 0.00 0.00 39.64 38.11 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 -5.16 1.97 0.20 1.39 2.96 -0.07 -1.12 118.68 118.86 2pkr s LEU 271 Ca -0.02 -0.36 0.05 0.00 -0.22 0.00 0.00 54.13 53.58 2pkr s LEU 271 Cb 0.01 -0.99 -0.05 0.00 0.50 0.00 0.00 46.19 45.66 2pkr s LEU 271 CO 0.03 0.19 -0.06 -0.44 -1.32 0.00 0.00 176.35 174.76 2pkr s SER 272 N -0.16 1.99 -0.09 3.68 0.01 -0.32 -4.50 113.70 114.31 2pkr s SER 272 Ca 0.01 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.14 2pkr s SER 272 Cb -0.10 -0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.12 2pkr s SER 272 CO 0.01 -0.40 -0.08 -0.69 0.41 0.00 0.00 173.24 172.50 2pkr s VAL 273 N -3.30 0.95 -0.22 3.43 1.01 -1.26 -1.24 120.40 119.77 2pkr s VAL 273 Ca 0.24 -0.28 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 2pkr s VAL 273 Cb 0.04 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 2pkr s VAL 273 CO 0.06 0.34 0.00 0.00 0.00 0.00 0.00 175.10 175.51 2pkr n ASP 275 N 4.68 3.13 -4.86 0.00 8.00 -1.26 -2.25 116.55 123.99 2pkr n ASP 275 Ca -0.17 -1.95 -0.35 0.00 0.71 0.00 0.00 54.79 53.03 2pkr n ASP 275 Cb 0.51 -0.28 -0.06 0.00 -0.02 0.00 0.00 41.12 41.27 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 -1.43 3.80 -1.31 -1.24 0.41 -1.26 -4.85 118.70 112.82 2pkr s GLU 276 Ca 0.39 0.23 -0.18 0.00 -0.41 0.00 0.00 54.97 55.00 2pkr s GLU 276 Cb 0.22 -3.00 0.06 0.00 -1.78 0.00 0.00 34.13 29.62 2pkr s GLU 276 CO 0.30 0.56 1.80 -0.35 -0.49 0.00 0.00 175.26 177.08 2pkr n PRO 277 N 0.96 3.09 -3.51 0.39 -0.04 -1.26 -4.93 135.00 129.70 2pkr n PRO 277 Ca -0.08 -3.17 -0.20 0.00 -0.04 0.00 0.00 63.50 60.02 2pkr n PRO 277 Cb 0.52 -3.48 -0.02 0.00 -0.04 0.00 0.00 33.50 30.48 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 4.28 3.65 0.41 1.53 1.43 -1.26 -5.14 118.68 123.58 2pkr s LEU 278 Ca 0.54 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 53.24 2pkr s LEU 278 Cb 0.05 -2.40 -0.08 0.00 0.03 0.00 0.00 46.19 43.80 2pkr s LEU 278 CO 0.06 -0.53 0.01 0.68 0.23 0.00 0.00 176.35 176.81 2pkr s VAL 279 N -2.32 1.92 0.25 -1.59 -7.23 -1.26 -5.04 120.40 105.12 2pkr s VAL 279 Ca 0.46 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.54 2pkr s VAL 279 Cb -0.07 -2.96 0.34 0.00 0.56 0.00 0.00 36.38 34.25 2pkr s VAL 279 CO 0.29 0.00 1.60 0.77 -0.31 0.00 0.00 175.10 177.45 2pkr h SER 280 N 1.78 -0.66 -0.97 4.85 4.64 -1.98 -1.50 113.55 119.70 2pkr h SER 280 Ca -0.44 0.24 0.22 0.00 -0.47 0.00 0.00 61.79 61.34 2pkr h SER 280 Cb 1.24 0.47 -0.08 0.00 -0.31 0.00 0.00 62.40 63.72 2pkr h SER 280 CO 0.80 -0.26 0.63 -0.29 -0.87 0.00 0.00 176.83 176.84 2pkr h ILE 281 N 0.02 0.64 0.00 0.95 6.09 -1.97 -0.57 117.51 122.68 2pkr h ILE 281 Ca 0.41 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.74 2pkr h ILE 281 Cb 0.67 0.12 0.00 0.00 0.47 0.00 0.00 36.82 38.08 2pkr h ILE 281 CO -0.81 0.09 0.00 0.44 -3.07 0.00 0.00 178.15 174.79 2pkr h ASP 282 N 0.48 0.00 -0.51 2.19 3.32 -1.68 -1.73 116.42 118.50 2pkr h ASP 282 Ca 0.53 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.58 2pkr h ASP 282 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2pkr h ASP 282 CO -0.25 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 177.76 2pkr n PHE 283 N -3.03 0.68 -2.11 4.55 3.72 -0.22 -4.93 117.46 116.12 2pkr n PHE 283 Ca -0.02 -0.34 -0.40 0.00 -0.05 0.00 0.00 57.45 56.64 2pkr n PHE 283 Cb 0.13 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 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 -1.32 4.30 -1.60 -1.08 0.52 -0.65 -3.03 118.95 116.09 2pkr s ARG 284 Ca 0.38 2.20 -0.00 0.00 -0.52 0.00 0.00 55.73 57.79 2pkr s ARG 284 Cb 0.20 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.65 2pkr s ARG 284 CO 0.27 -0.23 0.00 0.00 0.02 0.00 0.00 175.30 175.37 2pkr s THR 286 N -2.94 4.92 0.03 0.00 -4.23 -1.17 -4.98 115.64 107.28 2pkr s THR 286 Ca 0.00 1.24 0.21 0.00 -1.18 0.00 0.00 61.69 61.97 2pkr s THR 286 Cb -0.00 -3.93 0.19 0.00 1.34 0.00 0.00 72.50 70.09 2pkr s THR 286 CO 0.00 0.41 1.71 0.44 -0.54 0.00 0.00 174.62 176.64 2pkr h ASP 287 N 5.71 0.00 -3.86 3.99 3.32 -1.93 -3.34 116.42 120.31 2pkr h ASP 287 Ca -0.45 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.13 2pkr h ASP 287 Cb 1.20 0.00 0.17 0.00 0.22 0.00 0.00 39.33 40.92 2pkr h ASP 287 CO 0.70 0.30 0.18 0.68 -1.72 0.00 0.00 179.24 179.37 2pkr s VAL 288 N -3.44 2.32 -0.11 -1.35 -7.23 -1.26 -4.78 120.40 104.55 2pkr s VAL 288 Ca 0.02 0.10 0.16 0.00 -1.81 0.00 0.00 61.98 60.46 2pkr s VAL 288 Cb 0.09 -2.43 -0.15 0.00 0.56 0.00 0.00 36.38 34.45 2pkr s VAL 288 CO 0.67 -0.14 0.77 -1.20 -0.31 0.00 0.00 175.10 174.90 2pkr n SER 289 N -4.24 0.83 -3.70 4.85 7.64 -0.27 -4.62 113.62 114.11 2pkr n SER 289 Ca 0.06 0.37 -0.12 0.00 1.01 0.00 0.00 58.87 60.19 2pkr n SER 289 Cb 0.55 0.18 -0.10 0.00 -1.01 0.00 0.00 64.21 63.83 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 -5.79 -0.54 -0.22 6.43 0.15 -0.89 -4.06 113.70 108.78 2pkr s SER 290 Ca -0.03 0.99 -0.01 0.00 0.70 0.00 0.00 55.95 57.59 2pkr s SER 290 Cb 0.09 0.95 0.06 0.00 -1.71 0.00 0.00 66.02 65.40 2pkr s SER 290 CO 0.82 -0.18 -0.01 -0.89 1.20 0.00 0.00 173.24 174.17 2pkr s THR 291 N 0.70 1.10 0.14 6.45 2.01 -0.12 -1.17 115.64 124.76 2pkr s THR 291 Ca -0.04 -0.96 -0.31 0.00 0.31 0.00 0.00 61.69 60.70 2pkr s THR 291 Cb -0.05 -1.48 -0.08 0.00 0.01 0.00 0.00 72.50 70.90 2pkr s THR 291 CO -0.05 -0.16 1.29 -0.63 -0.69 0.00 0.00 174.62 174.38 2pkr s ILE 292 N 1.59 3.49 -0.89 1.82 -1.09 -0.37 0.32 121.20 126.07 2pkr s ILE 292 Ca -0.03 1.14 -0.15 0.00 -2.23 0.00 0.00 60.65 59.37 2pkr s ILE 292 Cb -0.18 -3.73 0.19 0.00 -1.58 0.00 0.00 42.46 37.17 2pkr s ILE 292 CO -0.07 0.13 0.92 -0.62 -1.23 0.00 0.00 174.94 174.06 2pkr s ASP 293 N 0.71 6.77 0.31 3.58 -1.08 -0.44 -0.25 116.67 126.26 2pkr s ASP 293 Ca 0.59 -2.56 0.08 0.00 -0.52 0.00 0.00 52.55 50.14 2pkr s ASP 293 Cb -0.34 -2.27 0.82 0.00 -1.46 0.00 0.00 42.92 39.67 2pkr s ASP 293 CO 0.33 -0.71 1.73 0.77 0.52 0.00 0.00 175.17 177.81 2pkr h SER 294 N 8.02 0.64 0.51 -0.34 4.64 -1.75 -1.47 113.55 123.80 2pkr h SER 294 Ca 0.13 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2pkr h SER 294 Cb 1.02 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2pkr h SER 294 CO 0.89 0.12 0.00 -1.54 -0.87 0.00 0.00 176.83 175.43 2pkr n SER 295 N -4.89 0.00 -0.27 4.97 3.41 -1.26 -2.54 113.62 113.04 2pkr n SER 295 Ca 0.25 0.37 0.11 0.00 -0.26 0.00 0.00 58.87 59.35 2pkr n SER 295 Cb 0.69 -0.44 0.08 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.44 1.40 -4.72 1.04 4.77 -0.55 -4.93 117.00 112.56 2pkr n LEU 296 Ca 0.05 -0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 55.10 2pkr n LEU 296 Cb 0.18 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2pkr n LEU 296 CO 0.15 0.28 1.11 -0.89 -1.33 0.00 0.00 177.39 176.71 2pkr s THR 297 N -2.67 2.96 0.12 -5.08 2.01 -1.05 -4.72 115.64 107.20 2pkr s THR 297 Ca 0.16 0.72 0.04 0.00 0.31 0.00 0.00 61.69 62.92 2pkr s THR 297 Cb 0.18 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 2pkr s THR 297 CO 0.65 0.07 -0.10 -0.04 -0.69 0.00 0.00 174.62 174.51 2pkr s MET 298 N 0.69 0.95 -0.04 4.92 -1.94 -0.86 -4.84 119.30 118.18 2pkr s MET 298 Ca 0.64 -1.32 -0.01 0.00 -1.71 0.00 0.00 55.69 53.29 2pkr s MET 298 Cb -0.40 -0.56 0.03 0.00 2.01 0.00 0.00 34.83 35.91 2pkr s MET 298 CO 0.34 0.07 0.07 0.08 -0.01 0.00 0.00 175.02 175.57 2pkr s VAL 299 N -2.95 -0.10 -0.03 -6.03 1.01 -1.26 -1.13 120.40 109.90 2pkr s VAL 299 Ca 0.11 0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.43 2pkr s VAL 299 Cb 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.20 2pkr s VAL 299 CO -0.00 0.13 -0.12 -0.04 0.00 0.00 0.00 175.10 175.06 2pkr s MET 300 N 1.62 2.49 -1.36 2.72 -1.94 0.07 -4.59 119.30 118.30 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 -0.12 -2.41 0.00 0.00 2.01 0.00 0.00 34.83 34.31 2pkr s MET 300 CO -0.04 0.62 0.00 0.41 -0.01 0.00 0.00 175.02 176.00 2pkr n GLY 301 N 2.07 -0.06 4.56 -0.03 0.00 -1.26 -1.47 105.19 109.00 2pkr n GLY 301 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.61 0.00 0.00 1.61 8.00 -1.26 -4.48 116.55 118.81 2pkr n ASP 302 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 2pkr n ASP 302 Cb 0.60 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 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 0.01 0.69 -4.29 -2.24 5.68 -1.16 0.12 116.55 115.37 2pkr n ASP 303 Ca 0.00 -1.19 -0.41 0.00 -0.50 0.00 0.00 54.79 52.68 2pkr n ASP 303 Cb 0.00 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 39.89 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 2.68 -0.15 0.11 1.75 -0.54 -0.53 119.30 122.42 2pkr s MET 304 Ca 0.00 -1.50 -0.12 0.00 -1.25 0.00 0.00 55.69 52.81 2pkr s MET 304 Cb 0.00 -3.91 -0.05 0.00 2.84 0.00 0.00 34.83 33.72 2pkr s MET 304 CO 0.00 -1.03 0.25 0.08 -0.65 0.00 0.00 175.02 173.67 2pkr s VAL 305 N 1.47 5.33 -0.19 10.11 1.01 0.69 -0.76 120.40 138.06 2pkr s VAL 305 Ca 0.04 0.45 -0.00 0.00 0.00 0.00 0.00 61.98 62.47 2pkr s VAL 305 Cb -0.24 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.57 2pkr s VAL 305 CO 0.03 0.44 -0.15 -0.75 0.00 0.00 0.00 175.10 174.67 2pkr s LYS 306 N 0.14 3.11 -0.05 2.72 2.20 -0.29 -1.20 119.74 126.38 2pkr s LYS 306 Ca 0.15 -0.77 0.06 0.00 -0.36 0.00 0.00 55.97 55.05 2pkr s LYS 306 Cb -0.13 -2.70 -0.01 0.00 -1.51 0.00 0.00 37.83 33.48 2pkr s LYS 306 CO 0.03 -0.21 -0.23 0.08 -0.36 0.00 0.00 175.35 174.66 2pkr s VAL 307 N 1.34 1.91 -0.20 4.02 1.01 0.29 -2.04 120.40 126.74 2pkr s VAL 307 Ca 0.05 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 2pkr s VAL 307 Cb -0.13 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 2pkr s VAL 307 CO -0.10 0.54 -0.07 -0.63 0.00 0.00 0.00 175.10 174.84 2pkr s ILE 308 N -0.20 3.29 -0.04 2.22 -1.09 -1.26 -1.37 121.20 122.75 2pkr s ILE 308 Ca -0.01 -0.54 0.03 0.00 -2.23 0.00 0.00 60.65 57.90 2pkr s ILE 308 Cb -0.12 -2.47 0.00 0.00 -1.58 0.00 0.00 42.46 38.29 2pkr s ILE 308 CO 0.03 0.45 -0.13 0.00 -1.23 0.00 0.00 174.94 174.06 2pkr s ALA 309 N 1.16 1.17 0.25 9.38 0.00 -0.56 -1.33 121.76 131.82 2pkr s ALA 309 Ca 0.02 -0.48 -0.08 0.00 0.00 0.00 0.00 51.96 51.41 2pkr s ALA 309 Cb -0.14 -0.43 -0.07 0.00 0.00 0.00 0.00 23.12 22.48 2pkr s ALA 309 CO -0.02 0.19 0.55 -1.58 0.00 0.00 0.00 175.76 174.91 2pkr s TRP 310 N 0.20 3.44 -0.25 0.00 0.52 0.15 -1.04 118.94 121.95 2pkr s TRP 310 Ca -0.05 0.82 -0.19 0.00 0.02 0.00 0.00 56.10 56.70 2pkr s TRP 310 Cb -0.11 -2.23 0.07 0.00 -1.15 0.00 0.00 33.47 30.06 2pkr s TRP 310 CO 0.02 0.24 0.65 1.52 0.02 0.00 0.00 176.95 179.39 2pkr s TYR 311 N -1.90 -0.84 -0.79 -1.98 1.13 -0.30 -0.94 117.35 111.74 2pkr s TYR 311 Ca 0.47 1.86 -0.23 0.00 -1.41 0.00 0.00 57.07 57.76 2pkr s TYR 311 Cb -0.11 0.39 0.07 0.00 -1.10 0.00 0.00 41.96 41.20 2pkr s TYR 311 CO 0.24 -0.41 1.15 0.34 -2.51 0.00 0.00 175.55 174.36 2pkr s ASP 312 N 0.88 6.31 0.64 -0.18 -1.08 -1.26 -0.56 116.67 121.42 2pkr s ASP 312 Ca -0.04 -1.13 0.36 0.00 -0.52 0.00 0.00 52.55 51.22 2pkr s ASP 312 Cb -0.05 -2.47 2.01 0.00 -1.46 0.00 0.00 42.92 40.95 2pkr s ASP 312 CO -0.07 -1.48 2.20 -0.55 0.52 0.00 0.00 175.17 175.78 2pkr h ASN 313 N 9.58 0.00 0.00 -0.34 -1.07 -1.91 0.04 115.58 121.89 2pkr h ASN 313 Ca -0.12 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.18 2pkr h ASN 313 Cb 1.05 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.29 2pkr h ASN 313 CO 1.23 0.00 -0.92 -0.62 0.07 0.00 0.00 177.43 177.19 2pkr n GLU 314 N -3.29 0.50 0.01 4.14 1.02 -1.26 -4.18 120.64 117.59 2pkr n GLU 314 Ca -0.02 0.41 -0.12 0.00 -0.02 0.00 0.00 57.16 57.41 2pkr n GLU 314 Cb 0.20 -1.60 -0.09 0.00 -0.02 0.00 0.00 31.44 29.93 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 -0.09 -0.98 -0.32 2.91 -1.93 -1.92 115.95 112.62 2pkr h TRP 315 Ca -0.10 -0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.01 2pkr h TRP 315 Cb 0.85 0.03 -0.07 0.00 -0.51 0.00 0.00 29.16 29.46 2pkr h TRP 315 CO -0.24 0.42 0.63 0.78 -1.03 0.00 0.00 178.44 179.00 2pkr h GLY 316 N -0.66 1.51 1.06 2.65 0.00 -1.11 -0.66 103.07 105.86 2pkr h GLY 316 Ca -0.01 -0.44 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 2pkr h GLY 316 CO 0.02 0.26 -0.28 -1.82 0.00 0.00 0.00 176.54 174.72 2pkr h TYR 317 N 1.06 1.02 0.00 5.60 3.20 -1.61 -2.82 116.97 123.42 2pkr h TYR 317 Ca 0.45 -0.28 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 2pkr h TYR 317 Cb 0.31 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2pkr h TYR 317 CO -0.00 1.07 -0.24 0.77 -1.64 0.00 0.00 178.16 178.12 2pkr h SER 318 N 0.68 0.00 0.19 -2.11 0.02 -0.45 -0.05 113.55 111.83 2pkr h SER 318 Ca 0.07 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 2pkr h SER 318 Cb 0.85 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 2pkr h SER 318 CO 0.07 0.24 -0.34 1.56 -1.14 0.00 0.00 176.83 177.23 2pkr h GLN 319 N 0.00 0.22 -0.24 3.45 1.08 -0.93 -1.75 115.11 116.94 2pkr h GLN 319 Ca -0.00 -0.09 -0.17 0.00 -1.45 0.00 0.00 58.65 56.94 2pkr h GLN 319 Cb 0.44 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2pkr h GLN 319 CO 0.03 0.54 -0.54 0.00 -0.95 0.00 0.00 178.83 177.91 2pkr h ARG 320 N 0.19 0.71 -0.49 1.46 2.47 -0.82 -0.34 114.38 117.57 2pkr h ARG 320 Ca 0.02 -0.45 0.02 0.00 -1.26 0.00 0.00 59.98 58.31 2pkr h ARG 320 Cb 0.69 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.03 2pkr h ARG 320 CO 0.05 1.07 0.30 0.28 0.56 0.00 0.00 179.97 182.23 2pkr h VAL 321 N 0.55 1.08 -0.37 2.04 2.07 -0.92 0.16 116.25 120.86 2pkr h VAL 321 Ca 0.01 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.33 2pkr h VAL 321 Cb 1.12 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2pkr h VAL 321 CO 0.11 0.11 0.24 0.58 0.02 0.00 0.00 177.57 178.63 2pkr h VAL 322 N 0.61 1.08 -0.15 2.57 2.07 -1.12 0.10 116.25 121.41 2pkr h VAL 322 Ca 0.19 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.57 2pkr h VAL 322 Cb -0.02 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 2pkr h VAL 322 CO -0.07 0.09 -0.04 0.44 0.02 0.00 0.00 177.57 178.01 2pkr h ASP 323 N 0.49 -0.16 -0.40 0.57 3.32 -0.23 0.44 116.42 120.45 2pkr h ASP 323 Ca 0.14 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 2pkr h ASP 323 Cb -0.04 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2pkr h ASP 323 CO -0.04 -0.06 0.17 0.25 -1.72 0.00 0.00 179.24 177.85 2pkr h LEU 324 N -0.01 0.58 -0.50 1.55 5.85 -0.26 -1.19 115.31 121.33 2pkr h LEU 324 Ca 0.08 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 2pkr h LEU 324 Cb 0.12 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2pkr h LEU 324 CO -0.16 0.53 0.15 0.00 -0.34 0.00 0.00 178.44 178.62 2pkr h ALA 325 N 1.56 0.65 -0.32 1.25 0.00 0.03 -0.72 119.26 121.70 2pkr h ALA 325 Ca 0.16 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2pkr h ALA 325 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2pkr h ALA 325 CO -0.01 0.31 0.21 -0.44 0.00 0.00 0.00 179.25 179.32 2pkr h ASP 326 N 0.67 0.31 -0.20 0.00 5.19 0.14 -1.16 116.42 121.38 2pkr h ASP 326 Ca 0.16 -0.01 -0.17 0.00 -0.62 0.00 0.00 57.03 56.40 2pkr h ASP 326 Cb 0.28 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.72 2pkr h ASP 326 CO -0.00 0.22 -0.52 0.40 -3.12 0.00 0.00 179.24 176.21 2pkr h ILE 327 N 0.36 1.31 -0.38 0.35 2.04 -0.38 -1.22 117.51 119.59 2pkr h ILE 327 Ca 0.13 -1.75 0.05 0.00 1.00 0.00 0.00 64.86 64.29 2pkr h ILE 327 Cb 0.07 1.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 2pkr h ILE 327 CO -0.03 0.55 0.10 0.58 0.00 0.00 0.00 178.15 179.35 2pkr h VAL 328 N 0.40 0.84 -0.42 1.67 2.07 -0.03 -0.59 116.25 120.20 2pkr h VAL 328 Ca -0.01 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 2pkr h VAL 328 Cb 1.14 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2pkr h VAL 328 CO 0.11 0.04 0.18 0.00 0.02 0.00 0.00 177.57 177.93 2pkr h ALA 329 N 1.27 0.55 0.00 1.67 0.00 -1.22 -2.39 119.26 119.14 2pkr h ALA 329 Ca 0.18 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2pkr h ALA 329 Cb 0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2pkr h ALA 329 CO -0.21 0.13 -0.13 -0.91 0.00 0.00 0.00 179.25 178.13 2pkr h ASN 330 N 0.54 0.00 -0.51 0.00 -0.26 -0.50 -2.60 115.58 112.24 2pkr h ASN 330 Ca 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 2pkr h ASN 330 Cb 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 2pkr h ASN 330 CO -0.01 0.13 0.00 0.29 -1.06 0.00 0.00 177.43 176.78 2pkr n LYS 331 N -3.66 3.01 -1.91 0.81 4.76 -0.29 -5.01 118.16 115.87 2pkr n LYS 331 Ca -0.02 -2.47 -0.41 0.00 -2.87 0.00 0.00 58.31 52.54 2pkr n LYS 331 Cb 0.25 -1.53 -0.02 0.00 -1.84 0.00 0.00 35.03 31.89 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 -1.34 2.91 -1.23 2.13 -0.11 -0.92 -4.55 118.94 115.83 2pkr s TRP 332 Ca 0.38 0.92 0.10 0.00 1.22 0.00 0.00 56.10 58.72 2pkr s TRP 332 Cb 0.22 -3.92 0.08 0.00 -1.50 0.00 0.00 33.47 28.35 2pkr s TRP 332 CO 0.22 -3.06 0.81 1.04 -4.62 0.00 0.00 176.95 171.34