#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 4.15 -0.34 3.14 2.96 0.15 -4.92 118.68 123.82 2pkr s LEU 1 Ca 0.00 0.78 -0.29 0.00 -0.22 0.00 0.00 54.13 54.40 2pkr s LEU 1 Cb 0.00 -2.82 0.01 0.00 0.50 0.00 0.00 46.19 43.88 2pkr s LEU 1 CO 0.00 -0.23 1.25 -0.54 -1.32 0.00 0.00 176.35 175.51 2pkr s LYS 2 N 1.76 3.88 0.05 1.98 1.02 -1.26 -0.26 119.74 126.90 2pkr s LYS 2 Ca 0.27 1.07 0.06 0.00 0.02 0.00 0.00 55.97 57.40 2pkr s LYS 2 Cb -0.16 -3.87 -0.03 0.00 -0.52 0.00 0.00 37.83 33.25 2pkr s LYS 2 CO 0.10 -1.17 -0.13 0.08 -0.92 0.00 0.00 175.35 173.31 2pkr s VAL 3 N 4.37 3.17 0.23 3.17 1.01 0.53 -1.07 120.40 131.82 2pkr s VAL 3 Ca 0.53 -1.11 0.11 0.00 0.00 0.00 0.00 61.98 61.52 2pkr s VAL 3 Cb -0.14 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 2pkr s VAL 3 CO 0.24 0.29 -0.19 0.00 0.00 0.00 0.00 175.10 175.43 2pkr s ALA 4 N -1.03 2.71 -0.32 5.51 0.00 -0.55 -0.77 121.76 127.31 2pkr s ALA 4 Ca 0.17 -1.72 0.02 0.00 0.00 0.00 0.00 51.96 50.43 2pkr s ALA 4 Cb -0.11 -0.38 0.09 0.00 0.00 0.00 0.00 23.12 22.72 2pkr s ALA 4 CO 0.08 0.36 0.02 0.42 0.00 0.00 0.00 175.76 176.65 2pkr s ILE 5 N -2.07 2.44 -0.44 0.00 1.01 -0.09 -1.43 121.20 120.62 2pkr s ILE 5 Ca 0.26 -2.05 -0.25 0.00 0.00 0.00 0.00 60.65 58.61 2pkr s ILE 5 Cb -0.07 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.77 2pkr s ILE 5 CO 0.13 -0.42 0.90 0.21 0.00 0.00 0.00 174.94 175.76 2pkr s ASN 6 N 1.10 6.52 0.00 3.58 2.47 -0.53 -0.76 114.94 127.32 2pkr s ASN 6 Ca 0.04 0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.50 2pkr s ASN 6 Cb -0.20 -2.44 0.00 0.00 -1.45 0.00 0.00 41.25 37.16 2pkr s ASN 6 CO -0.06 -0.99 0.00 0.61 -3.72 0.00 0.00 177.10 172.94 2pkr n GLY 7 N 4.83 -0.15 2.46 1.21 0.00 -0.82 -1.17 105.19 111.55 2pkr n GLY 7 Ca 0.06 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 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 0.02 1.70 -0.70 1.61 7.35 -1.25 -3.99 117.46 122.20 2pkr n PHE 8 Ca 0.00 -2.09 0.00 0.00 -0.76 0.00 0.00 57.45 54.60 2pkr n PHE 8 Cb 0.00 -1.48 0.00 0.00 0.35 0.00 0.00 39.48 38.35 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 1.14 1.66 0.20 7.13 0.00 -1.26 -4.46 105.19 109.60 2pkr n GLY 9 Ca 0.51 -1.79 -0.02 0.00 0.00 0.00 0.00 46.02 44.73 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 0.20 0.07 1.61 2.47 -1.93 0.23 114.38 117.04 2pkr h ARG 10 Ca 0.00 -0.01 -0.26 0.00 -1.26 0.00 0.00 59.98 58.45 2pkr h ARG 10 Cb 0.00 -0.04 0.02 0.00 -1.65 0.00 0.00 29.97 28.30 2pkr h ARG 10 CO 0.00 0.13 -1.04 0.82 0.56 0.00 0.00 179.97 180.44 2pkr h ILE 11 N 0.20 1.33 -0.64 2.04 1.08 -1.90 -1.11 117.51 118.50 2pkr h ILE 11 Ca 0.26 -2.34 0.06 0.00 -0.39 0.00 0.00 64.86 62.45 2pkr h ILE 11 Cb 0.37 2.65 -0.05 0.00 -3.07 0.00 0.00 36.82 36.72 2pkr h ILE 11 CO -0.37 0.71 0.35 1.23 -0.69 0.00 0.00 178.15 179.38 2pkr h GLY 12 N 0.17 0.94 1.43 5.37 0.00 -1.62 0.26 103.07 109.62 2pkr h GLY 12 Ca -0.15 -0.24 -0.23 0.00 0.00 0.00 0.00 47.33 46.70 2pkr h GLY 12 CO 0.20 0.14 -0.94 3.21 0.00 0.00 0.00 176.54 179.16 2pkr h ARG 13 N 0.65 0.52 -0.59 4.80 3.08 -0.58 -2.16 114.38 120.09 2pkr h ARG 13 Ca 0.29 -0.53 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 2pkr h ARG 13 Cb 0.19 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 2pkr h ARG 13 CO -0.18 1.16 0.27 -0.91 -1.07 0.00 0.00 179.97 179.24 2pkr h ASN 14 N 0.30 0.79 0.04 7.04 2.35 -0.87 -0.65 115.58 124.59 2pkr h ASN 14 Ca -0.09 -0.14 0.02 0.00 -0.55 0.00 0.00 56.30 55.54 2pkr h ASN 14 Cb 1.57 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 39.71 2pkr h ASN 14 CO 0.17 0.72 -0.18 0.15 -1.65 0.00 0.00 177.43 176.63 2pkr h PHE 15 N 0.81 -0.48 -0.65 1.19 3.57 -0.46 0.53 116.94 121.45 2pkr h PHE 15 Ca 0.20 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.75 2pkr h PHE 15 Cb 0.15 0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 2pkr h PHE 15 CO 0.00 -0.27 0.39 1.25 -2.23 0.00 0.00 178.31 177.46 2pkr h LEU 16 N -0.32 0.63 -0.77 0.59 6.46 -1.03 0.26 115.31 121.12 2pkr h LEU 16 Ca 0.04 0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 57.68 2pkr h LEU 16 Cb 0.37 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 2pkr h LEU 16 CO -0.15 0.43 -0.51 0.03 -0.62 0.00 0.00 178.44 177.63 2pkr h ARG 17 N 0.76 0.28 0.01 1.25 3.08 -0.66 0.24 114.38 119.33 2pkr h ARG 17 Ca 0.27 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 2pkr h ARG 17 Cb 0.07 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2pkr h ARG 17 CO -0.13 0.72 -0.00 0.00 -1.07 0.00 0.00 179.97 179.49 2pkr h TRP 18 N -0.22 0.68 -0.38 0.00 7.01 -0.32 -1.83 115.95 120.90 2pkr h TRP 18 Ca -0.00 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.07 2pkr h TRP 18 Cb 0.21 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.05 2pkr h TRP 18 CO -0.00 0.31 0.25 1.25 -2.79 0.00 0.00 178.44 177.46 2pkr h HIS 18 N 0.67 0.31 -0.00 2.65 2.76 -0.83 -1.83 115.15 118.89 2pkr h HIS 18 Ca 0.32 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 2pkr h HIS 18 Cb 0.24 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.10 2pkr h HIS 18 CO -0.08 0.18 -0.07 0.41 -1.30 0.00 0.00 177.93 177.06 2pkr n GLY 19 N -1.52 -1.44 3.80 5.26 0.00 -0.70 -4.88 105.19 105.71 2pkr n GLY 19 Ca 0.04 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.96 4.18 -0.05 1.61 1.81 -0.69 -5.05 118.95 117.80 2pkr s ARG 20 Ca 0.15 1.33 -0.08 0.00 -1.72 0.00 0.00 55.73 55.41 2pkr s ARG 20 Cb 0.19 -2.39 -0.05 0.00 -0.45 0.00 0.00 34.95 32.26 2pkr s ARG 20 CO 0.55 -0.09 0.23 0.21 -0.68 0.00 0.00 175.30 175.52 2pkr s LYS 21 N -2.77 3.57 -1.19 3.54 2.20 -1.26 -4.54 119.74 119.29 2pkr s LYS 21 Ca 0.60 -0.03 -0.23 0.00 -0.36 0.00 0.00 55.97 55.94 2pkr s LYS 21 Cb -0.16 -3.15 0.01 0.00 -1.51 0.00 0.00 37.83 33.02 2pkr s LYS 21 CO 0.21 0.71 0.72 -0.25 -0.36 0.00 0.00 175.35 176.38 2pkr n ASP 22 N 1.57 -4.44 -4.80 1.43 8.00 -1.26 -4.92 116.55 112.14 2pkr n ASP 22 Ca -0.15 -1.11 -0.36 0.00 0.71 0.00 0.00 54.79 53.88 2pkr n ASP 22 Cb 0.54 -2.80 -0.07 0.00 -0.02 0.00 0.00 41.12 38.77 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 -3.58 7.20 0.13 -2.24 0.15 -1.26 -4.94 113.70 109.16 2pkr s SER 23 Ca 0.44 1.77 0.24 0.00 0.70 0.00 0.00 55.95 59.10 2pkr s SER 23 Cb -0.18 -2.56 0.41 0.00 -1.71 0.00 0.00 66.02 61.98 2pkr s SER 23 CO 0.90 -0.16 1.38 -0.81 1.20 0.00 0.00 173.24 175.75 2pkr n PRO 24 N 0.17 0.28 -2.65 5.44 -0.04 -1.26 -4.65 135.00 132.30 2pkr n PRO 24 Ca 0.03 0.10 -0.31 0.00 -0.04 0.00 0.00 63.50 63.28 2pkr n PRO 24 Cb 0.51 -1.70 -0.03 0.00 -0.04 0.00 0.00 33.50 32.24 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 -4.24 3.74 -0.32 1.53 1.43 -1.26 0.31 118.68 119.87 2pkr s LEU 25 Ca 0.07 1.34 -0.01 0.00 -1.03 0.00 0.00 54.13 54.50 2pkr s LEU 25 Cb 0.13 -4.25 0.10 0.00 0.03 0.00 0.00 46.19 42.21 2pkr s LEU 25 CO 0.70 -0.48 0.12 -0.62 0.23 0.00 0.00 176.35 176.30 2pkr s ASP 26 N -3.09 3.89 -0.52 2.29 2.15 0.64 -4.02 116.67 118.00 2pkr s ASP 26 Ca 0.55 -1.67 -0.28 0.00 0.43 0.00 0.00 52.55 51.57 2pkr s ASP 26 Cb -0.10 -0.78 0.02 0.00 -0.30 0.00 0.00 42.92 41.77 2pkr s ASP 26 CO 0.31 -0.41 1.27 -0.69 -0.17 0.00 0.00 175.17 175.49 2pkr s VAL 27 N 1.58 3.99 -0.07 1.11 1.01 -1.26 -0.34 120.40 126.42 2pkr s VAL 27 Ca 0.11 0.94 0.17 0.00 0.00 0.00 0.00 61.98 63.20 2pkr s VAL 27 Cb -0.18 -4.53 -0.26 0.00 0.00 0.00 0.00 36.38 31.41 2pkr s VAL 27 CO -0.24 -1.11 0.39 1.33 0.00 0.00 0.00 175.10 175.47 2pkr n VAL 28 N 6.85 0.00 -3.84 2.92 0.24 0.05 -4.84 118.33 119.71 2pkr n VAL 28 Ca 0.12 -0.37 -0.10 0.00 -2.04 0.00 0.00 64.34 61.95 2pkr n VAL 28 Cb 0.49 0.17 -0.08 0.00 -1.47 0.00 0.00 33.84 32.95 2pkr n VAL 28 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2pkr s VAL 29 N -3.14 0.11 -0.04 3.34 0.11 -1.20 -0.80 120.40 118.78 2pkr s VAL 29 Ca -0.05 -0.93 -0.00 0.00 -2.93 0.00 0.00 61.98 58.07 2pkr s VAL 29 Cb 0.11 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.98 2pkr s VAL 29 CO 0.70 -0.51 0.01 -0.63 -3.33 0.00 0.00 175.10 171.34 2pkr s ILE 30 N -2.84 0.17 -0.56 7.04 1.01 0.49 -0.91 121.20 125.60 2pkr s ILE 30 Ca -0.03 0.13 -0.17 0.00 0.00 0.00 0.00 60.65 60.59 2pkr s ILE 30 Cb 0.00 -0.30 0.13 0.00 0.01 0.00 0.00 42.46 42.30 2pkr s ILE 30 CO -0.05 0.17 0.56 0.21 0.00 0.00 0.00 174.94 175.82 2pkr s ASN 31 N 1.30 6.21 -0.33 3.58 2.47 0.06 -0.70 114.94 127.54 2pkr s ASN 31 Ca -0.06 -1.75 0.01 0.00 0.42 0.00 0.00 52.86 51.48 2pkr s ASN 31 Cb -0.13 -2.23 0.08 0.00 -1.45 0.00 0.00 41.25 37.52 2pkr s ASN 31 CO -0.02 -0.90 0.04 -0.62 -3.72 0.00 0.00 177.10 171.87 2pkr s ASP 32 N 3.55 4.82 0.18 -4.21 -1.08 -0.31 -1.95 116.67 117.66 2pkr s ASP 32 Ca 0.06 -1.81 0.16 0.00 -0.52 0.00 0.00 52.55 50.43 2pkr s ASP 32 Cb -0.28 -1.67 0.75 0.00 -1.46 0.00 0.00 42.92 40.27 2pkr s ASP 32 CO 0.03 -0.35 1.48 0.35 0.52 0.00 0.00 175.17 177.20 2pkr n THR 33 N 4.43 1.22 0.53 1.71 -2.24 -1.26 -1.76 114.28 116.91 2pkr n THR 33 Ca -0.04 0.48 0.13 0.00 -2.27 0.00 0.00 64.05 62.35 2pkr n THR 33 Cb 0.42 -1.43 0.30 0.00 -2.10 0.00 0.00 70.33 67.53 2pkr n THR 33 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2pkr h GLY 34 N 0.92 0.00 0.00 3.38 0.00 -1.93 -3.48 103.07 101.96 2pkr h GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2pkr h GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2pkr n GLY 36 N 1.28 1.52 0.12 4.60 0.00 -0.72 -4.50 105.19 107.48 2pkr n GLY 36 Ca 0.05 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 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 1.00 -0.90 1.61 2.07 -1.86 -1.98 116.25 116.19 2pkr h VAL 37 Ca 0.00 -0.65 0.08 0.00 0.82 0.00 0.00 66.70 66.95 2pkr h VAL 37 Cb 0.00 1.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 2pkr h VAL 37 CO 0.00 0.15 0.55 0.11 0.02 0.00 0.00 177.57 178.41 2pkr h LYS 38 N -0.51 0.93 -0.39 1.57 1.57 -1.94 -0.43 116.57 117.38 2pkr h LYS 38 Ca -0.02 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 2pkr h LYS 38 Cb 0.40 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2pkr h LYS 38 CO 0.03 0.62 -0.05 0.37 -0.57 0.00 0.00 179.45 179.85 2pkr h GLN 39 N 0.96 0.72 -0.29 3.15 4.15 -1.79 -0.78 115.11 121.24 2pkr h GLN 39 Ca 0.41 -0.26 -0.02 0.00 0.77 0.00 0.00 58.65 59.56 2pkr h GLN 39 Cb 0.28 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2pkr h GLN 39 CO -0.21 0.85 0.11 0.00 -1.93 0.00 0.00 178.83 177.65 2pkr h ALA 40 N 0.85 0.37 -0.31 3.38 0.00 -0.49 -1.43 119.26 121.64 2pkr h ALA 40 Ca 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2pkr h ALA 40 Cb 0.56 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2pkr h ALA 40 CO 0.03 -0.02 0.14 1.03 0.00 0.00 0.00 179.25 180.43 2pkr h SER 41 N 0.31 0.42 0.11 0.00 0.87 -1.08 -2.15 113.55 112.04 2pkr h SER 41 Ca 0.09 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 2pkr h SER 41 Cb 0.20 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2pkr h SER 41 CO -0.01 0.45 -0.05 -0.74 -0.53 0.00 0.00 176.83 175.95 2pkr h HIS 42 N 0.37 -0.14 0.00 2.24 6.17 -1.06 -2.28 115.15 120.44 2pkr h HIS 42 Ca 0.11 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.18 2pkr h HIS 42 Cb 0.15 0.04 0.00 0.00 2.52 0.00 0.00 27.41 30.13 2pkr h HIS 42 CO -0.01 0.05 0.00 -0.07 0.71 0.00 0.00 177.93 178.61 2pkr h LEU 43 N -0.31 0.00 -0.04 0.26 3.38 -1.30 -0.71 115.31 116.60 2pkr h LEU 43 Ca -0.01 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.71 2pkr h LEU 43 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2pkr h LEU 43 CO 0.02 0.00 -1.08 0.25 0.09 0.00 0.00 178.44 177.73 2pkr h LEU 44 N 0.00 0.40 0.04 1.67 5.85 -1.24 -3.36 115.31 118.67 2pkr h LEU 44 Ca 0.00 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 2pkr h LEU 44 Cb 0.50 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2pkr h LEU 44 CO 0.00 1.24 -0.02 0.50 -0.34 0.00 0.00 178.44 179.82 2pkr h LYS 45 N 0.12 -0.05 -5.02 1.25 1.63 -0.95 -3.42 116.57 110.13 2pkr h LYS 45 Ca -0.10 0.00 -0.64 0.00 -0.85 0.00 0.00 60.65 59.07 2pkr h LYS 45 Cb 1.76 0.01 -0.18 0.00 -0.60 0.00 0.00 32.23 33.22 2pkr h LYS 45 CO 0.18 0.60 -0.56 0.71 -3.45 0.00 0.00 179.45 176.92 2pkr s TYR 46 N -3.00 3.19 -0.09 1.91 2.02 -0.31 -0.38 117.35 120.69 2pkr s TYR 46 Ca -0.15 -0.06 -0.02 0.00 -0.37 0.00 0.00 57.07 56.47 2pkr s TYR 46 Cb -0.01 -2.25 0.03 0.00 -0.40 0.00 0.00 41.96 39.33 2pkr s TYR 46 CO 0.58 -0.13 0.01 0.34 -1.57 0.00 0.00 175.55 174.78 2pkr s ASP 47 N 1.33 1.80 0.62 2.29 -1.08 -1.21 -4.53 116.67 115.89 2pkr s ASP 47 Ca 0.06 -0.20 0.35 0.00 -0.52 0.00 0.00 52.55 52.24 2pkr s ASP 47 Cb -0.15 -0.47 1.92 0.00 -1.46 0.00 0.00 42.92 42.77 2pkr s ASP 47 CO 0.05 -0.21 2.08 0.28 0.52 0.00 0.00 175.17 177.89 2pkr h SER 48 N 8.31 0.00 0.00 -0.34 0.02 -1.95 0.46 113.55 120.06 2pkr h SER 48 Ca -0.19 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.52 2pkr h SER 48 Cb 1.12 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.63 2pkr h SER 48 CO 0.28 0.00 -1.84 -0.38 -1.14 0.00 0.00 176.83 173.74 2pkr n ILE 49 N -2.88 0.84 0.67 3.27 5.41 -1.26 -4.65 119.36 120.76 2pkr n ILE 49 Ca -0.02 -0.29 0.12 0.00 1.00 0.00 0.00 62.75 63.56 2pkr n ILE 49 Cb 0.20 -1.23 0.15 0.00 -0.71 0.00 0.00 39.64 38.06 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 -3.16 0.63 0.00 1.39 4.77 -1.16 -5.05 117.00 114.41 2pkr n LEU 50 Ca -0.27 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2pkr n LEU 50 Cb 0.76 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 2pkr n LEU 50 CO 0.11 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 2pkr n GLY 51 N 1.38 -0.93 3.71 -0.72 0.00 0.16 -4.86 105.19 103.93 2pkr n GLY 51 Ca 0.03 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.04 3.09 -0.02 2.61 2.01 -1.26 -3.36 115.64 117.67 2pkr s THR 52 Ca 0.00 0.73 -0.30 0.00 0.31 0.00 0.00 61.69 62.44 2pkr s THR 52 Cb 0.00 -3.47 -0.07 0.00 0.01 0.00 0.00 72.50 68.97 2pkr s THR 52 CO 0.00 0.04 1.79 0.12 -0.69 0.00 0.00 174.62 175.88 2pkr s PHE 53 N 1.43 1.68 -1.31 4.92 5.36 0.49 -4.89 117.98 125.66 2pkr s PHE 53 Ca 0.67 -0.07 -0.17 0.00 -0.96 0.00 0.00 56.93 56.40 2pkr s PHE 53 Cb -0.39 -4.05 0.01 0.00 -0.34 0.00 0.00 43.02 38.25 2pkr s PHE 53 CO 0.30 -4.56 2.05 -3.47 -1.46 0.00 0.00 175.22 168.08 2pkr n ASP 54 N 7.35 3.90 -3.53 6.13 2.03 -1.26 -4.79 116.55 126.38 2pkr n ASP 54 Ca 0.18 -2.83 -0.10 0.00 0.52 0.00 0.00 54.79 52.57 2pkr n ASP 54 Cb 0.42 -1.61 -0.03 0.00 -0.72 0.00 0.00 41.12 39.18 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 4.14 -1.85 -0.38 -1.67 0.00 -1.26 -5.12 121.76 115.62 2pkr s ALA 55 Ca 0.51 1.21 -0.28 0.00 0.00 0.00 0.00 51.96 53.40 2pkr s ALA 55 Cb 0.11 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.29 2pkr s ALA 55 CO -0.01 -0.55 1.06 0.34 0.00 0.00 0.00 175.76 176.60 2pkr s ASP 56 N -1.98 6.77 -0.06 0.00 3.68 -1.26 -4.89 116.67 118.93 2pkr s ASP 56 Ca 0.02 0.74 0.04 0.00 2.13 0.00 0.00 52.55 55.48 2pkr s ASP 56 Cb -0.01 -2.53 -0.00 0.00 -1.45 0.00 0.00 42.92 38.94 2pkr s ASP 56 CO -0.05 -1.00 -0.19 -0.69 0.13 0.00 0.00 175.17 173.38 2pkr s VAL 57 N 3.87 1.60 0.20 1.11 1.01 -1.26 0.83 120.40 127.77 2pkr s VAL 57 Ca 0.44 -0.79 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 2pkr s VAL 57 Cb -0.10 -1.39 0.05 0.00 0.00 0.00 0.00 36.38 34.94 2pkr s VAL 57 CO 0.22 0.46 0.62 -0.75 0.00 0.00 0.00 175.10 175.64 2pkr s LYS 58 N 0.20 1.43 0.44 2.72 2.20 -0.98 -4.99 119.74 120.76 2pkr s LYS 58 Ca -0.09 -0.66 -0.21 0.00 -0.36 0.00 0.00 55.97 54.65 2pkr s LYS 58 Cb -0.14 0.59 -0.10 0.00 -1.51 0.00 0.00 37.83 36.66 2pkr s LYS 58 CO 0.04 -0.63 0.98 0.95 -0.36 0.00 0.00 175.35 176.33 2pkr s THR 59 N -3.81 4.17 -0.46 3.43 -4.23 -1.26 -1.06 115.64 112.42 2pkr s THR 59 Ca 0.05 1.38 0.03 0.00 -1.18 0.00 0.00 61.69 61.96 2pkr s THR 59 Cb -0.02 -3.57 0.13 0.00 1.34 0.00 0.00 72.50 70.38 2pkr s THR 59 CO -0.06 -0.26 0.24 0.00 -0.54 0.00 0.00 174.62 173.99 2pkr s ALA 60 N -2.07 2.48 0.00 3.99 0.00 0.73 -4.77 121.76 122.12 2pkr s ALA 60 Ca 0.63 -2.77 0.00 0.00 0.00 0.00 0.00 51.96 49.82 2pkr s ALA 60 Cb -0.12 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.03 2pkr s ALA 60 CO 0.16 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.29 2pkr n GLY 60 N 3.45 -1.29 0.03 0.00 0.00 -1.26 -3.30 105.19 102.82 2pkr n GLY 60 Ca 0.07 -1.28 0.12 0.00 0.00 0.00 0.00 46.02 44.93 2pkr n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pkr n ASP 61 N 0.19 0.62 -2.38 1.61 8.00 -1.26 -4.52 116.55 118.81 2pkr n ASP 61 Ca 0.00 -0.19 0.01 0.00 0.71 0.00 0.00 54.79 55.32 2pkr n ASP 61 Cb 0.00 0.48 0.04 0.00 -0.02 0.00 0.00 41.12 41.62 2pkr n ASP 61 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2pkr n SER 62 N -1.83 1.06 -3.67 -2.24 3.41 -1.26 -4.78 113.62 104.32 2pkr n SER 62 Ca 0.03 -2.03 -0.07 0.00 -0.26 0.00 0.00 58.87 56.55 2pkr n SER 62 Cb 0.40 -0.30 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 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 -2.27 -1.59 0.20 7.33 0.00 -1.21 -0.31 121.76 123.90 2pkr s ALA 63 Ca 0.26 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.54 2pkr s ALA 63 Cb 0.34 0.67 -0.05 0.00 0.00 0.00 0.00 23.12 24.08 2pkr s ALA 63 CO -0.08 -0.92 0.00 0.96 0.00 0.00 0.00 175.76 175.72 2pkr s ILE 64 N -3.46 0.84 0.00 0.00 -4.36 -0.69 -0.20 121.20 113.34 2pkr s ILE 64 Ca 0.09 -2.01 0.04 0.00 -0.26 0.00 0.00 60.65 58.50 2pkr s ILE 64 Cb -0.02 -2.23 -0.01 0.00 1.25 0.00 0.00 42.46 41.45 2pkr s ILE 64 CO -0.02 -0.40 -0.11 -0.94 0.24 0.00 0.00 174.94 173.71 2pkr s SER 65 N -3.23 1.32 -0.29 4.36 1.04 -0.22 0.11 113.70 116.79 2pkr s SER 65 Ca 0.26 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.47 2pkr s SER 65 Cb 0.06 -0.13 0.08 0.00 0.10 0.00 0.00 66.02 66.13 2pkr s SER 65 CO 0.06 0.10 -0.03 -0.69 0.98 0.00 0.00 173.24 173.67 2pkr s VAL 66 N -0.40 2.02 -1.46 5.02 1.01 -0.46 -2.31 120.40 123.82 2pkr s VAL 66 Ca 0.03 -1.82 -0.08 0.00 0.00 0.00 0.00 61.98 60.11 2pkr s VAL 66 Cb -0.05 -2.31 0.03 0.00 0.00 0.00 0.00 36.38 34.05 2pkr s VAL 66 CO -0.00 -0.30 0.87 0.47 0.00 0.00 0.00 175.10 176.14 2pkr n ASP 67 N 4.43 -5.84 0.00 3.32 8.00 0.24 -1.98 116.55 124.73 2pkr n ASP 67 Ca -0.06 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 54.97 2pkr n ASP 67 Cb 0.42 -4.67 0.00 0.00 -0.02 0.00 0.00 41.12 36.86 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 -1.71 3.30 3.65 0.44 0.00 -1.26 -5.01 105.19 104.60 2pkr n GLY 68 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.63 4.18 0.09 1.61 2.20 -0.84 -4.99 119.74 121.37 2pkr s LYS 69 Ca 0.00 1.28 -0.25 0.00 -0.36 0.00 0.00 55.97 56.64 2pkr s LYS 69 Cb 0.00 -3.69 -0.06 0.00 -1.51 0.00 0.00 37.83 32.57 2pkr s LYS 69 CO 0.00 -0.74 0.77 0.08 -0.36 0.00 0.00 175.35 175.10 2pkr s VAL 70 N 3.41 4.60 -0.17 4.02 1.01 -1.26 -1.35 120.40 130.66 2pkr s VAL 70 Ca 0.46 1.66 0.01 0.00 0.00 0.00 0.00 61.98 64.10 2pkr s VAL 70 Cb -0.15 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.15 2pkr s VAL 70 CO 0.10 0.42 -0.11 -0.51 0.00 0.00 0.00 175.10 175.00 2pkr s ILE 71 N -0.46 1.57 0.56 2.22 2.07 0.12 -4.93 121.20 122.34 2pkr s ILE 71 Ca 0.38 -0.82 -0.21 0.00 -1.41 0.00 0.00 60.65 58.58 2pkr s ILE 71 Cb -0.21 -1.58 -0.05 0.00 0.13 0.00 0.00 42.46 40.75 2pkr s ILE 71 CO 0.24 0.29 1.30 1.17 -1.91 0.00 0.00 174.94 176.02 2pkr n LYS 72 N 4.74 1.54 -3.85 3.50 3.00 0.02 -1.70 118.16 125.41 2pkr n LYS 72 Ca -0.15 0.57 -0.26 0.00 -0.00 0.00 0.00 58.31 58.47 2pkr n LYS 72 Cb 0.48 -2.50 -0.17 0.00 0.00 0.00 0.00 35.03 32.84 2pkr n LYS 72 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2pkr s VAL 73 N -1.32 0.79 0.41 3.15 1.01 0.57 -0.38 120.40 124.64 2pkr s VAL 73 Ca 0.73 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.53 2pkr s VAL 73 Cb -0.42 -0.93 -0.06 0.00 0.00 0.00 0.00 36.38 34.97 2pkr s VAL 73 CO 0.48 0.24 0.09 0.68 0.00 0.00 0.00 175.10 176.59 2pkr s VAL 74 N 1.79 2.19 -0.24 2.92 -7.23 0.12 -4.54 120.40 115.41 2pkr s VAL 74 Ca 0.04 -1.85 -0.03 0.00 -1.81 0.00 0.00 61.98 58.32 2pkr s VAL 74 Cb -0.13 -2.98 0.10 0.00 0.56 0.00 0.00 36.38 33.93 2pkr s VAL 74 CO -0.07 -0.02 0.22 -0.55 -0.31 0.00 0.00 175.10 174.37 2pkr s SER 75 N -3.80 1.88 -0.27 4.85 0.15 -1.26 -1.16 113.70 114.08 2pkr s SER 75 Ca 0.38 -0.58 -0.13 0.00 0.70 0.00 0.00 55.95 56.32 2pkr s SER 75 Cb 0.06 0.26 0.09 0.00 -1.71 0.00 0.00 66.02 64.73 2pkr s SER 75 CO 0.20 -0.37 0.64 -0.62 1.20 0.00 0.00 173.24 174.29 2pkr s ASP 76 N 2.29 -0.93 0.48 5.45 -1.08 -1.26 -4.96 116.67 116.65 2pkr s ASP 76 Ca 0.08 1.45 0.29 0.00 -0.52 0.00 0.00 52.55 53.85 2pkr s ASP 76 Cb -0.15 1.63 0.94 0.00 -1.46 0.00 0.00 42.92 43.87 2pkr s ASP 76 CO -0.22 -0.23 1.82 0.03 0.52 0.00 0.00 175.17 177.09 2pkr h ARG 77 N 7.40 0.00 -4.24 4.34 3.08 -1.99 -3.40 114.38 119.58 2pkr h ARG 77 Ca -0.26 0.00 -0.74 0.00 0.07 0.00 0.00 59.98 59.05 2pkr h ARG 77 Cb 1.18 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.99 2pkr h ARG 77 CO 0.15 0.00 -0.30 1.21 -1.07 0.00 0.00 179.97 179.96 2pkr s ASN 78 N -5.77 6.10 0.24 7.04 3.84 -1.26 -4.95 114.94 120.18 2pkr s ASN 78 Ca 0.04 -1.54 0.17 0.00 0.21 0.00 0.00 52.86 51.74 2pkr s ASN 78 Cb 0.08 -2.17 0.89 0.00 -0.55 0.00 0.00 41.25 39.50 2pkr s ASN 78 CO 0.59 -0.72 1.52 -2.65 -2.79 0.00 0.00 177.10 173.05 2pkr n PRO 79 N 5.18 0.11 0.03 0.43 -0.02 -1.26 0.49 135.00 139.97 2pkr n PRO 79 Ca -0.13 0.58 0.13 0.00 -2.02 0.00 0.00 63.50 62.06 2pkr n PRO 79 Cb 0.42 -1.84 0.53 0.00 -0.02 0.00 0.00 33.50 32.59 2pkr n PRO 79 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2pkr n VAL 80 N -2.08 0.28 -0.16 -1.45 0.24 -1.26 -2.52 118.33 111.39 2pkr n VAL 80 Ca -0.01 -0.04 0.08 0.00 -2.04 0.00 0.00 64.34 62.33 2pkr n VAL 80 Cb 0.05 -0.60 0.29 0.00 -1.47 0.00 0.00 33.84 32.11 2pkr n VAL 80 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2pkr n ASN 81 N -1.73 3.89 -4.85 -1.34 5.03 0.18 -4.48 115.26 111.96 2pkr n ASN 81 Ca 0.06 -2.33 -0.32 0.00 0.87 0.00 0.00 54.58 52.86 2pkr n ASN 81 Cb 0.34 -0.51 -0.05 0.00 -1.02 0.00 0.00 39.78 38.54 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 -1.54 3.88 -0.97 3.41 1.43 -1.05 -4.95 118.68 118.89 2pkr s LEU 82 Ca 0.41 1.40 -0.03 0.00 -1.03 0.00 0.00 54.13 54.89 2pkr s LEU 82 Cb 0.26 -4.27 0.22 0.00 0.03 0.00 0.00 46.19 42.44 2pkr s LEU 82 CO 0.21 -0.37 2.20 -0.81 0.23 0.00 0.00 176.35 177.80 2pkr n PRO 83 N -0.93 4.10 -0.04 1.29 -0.04 -1.26 -4.46 135.00 133.65 2pkr n PRO 83 Ca 0.05 -3.67 -0.15 0.00 -0.04 0.00 0.00 63.50 59.69 2pkr n PRO 83 Cb 0.54 -2.41 -0.08 0.00 -0.04 0.00 0.00 33.50 31.50 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 3.85 0.59 0.18 0.54 -0.00 -1.90 -1.54 115.95 117.67 2pkr h TRP 84 Ca 0.57 -0.23 -0.01 0.00 -0.00 0.00 0.00 58.89 59.22 2pkr h TRP 84 Cb 0.33 -0.10 0.00 0.00 -0.00 0.00 0.00 29.16 29.39 2pkr h TRP 84 CO 1.41 0.96 -0.09 0.78 -0.00 0.00 0.00 178.44 181.50 2pkr h GLY 85 N 0.05 -0.25 1.23 1.49 0.00 -1.05 0.25 103.07 104.79 2pkr h GLY 85 Ca -0.01 0.09 0.08 0.00 0.00 0.00 0.00 47.33 47.50 2pkr h GLY 85 CO 0.07 -0.09 0.32 -0.55 0.00 0.00 0.00 176.54 176.29 2pkr h ASP 86 N -0.34 0.24 0.74 0.19 3.32 -1.78 -0.13 116.42 118.66 2pkr h ASP 86 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2pkr h ASP 86 Cb 0.26 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2pkr h ASP 86 CO 0.04 0.15 -0.78 0.23 -1.72 0.00 0.00 179.24 177.16 2pkr n MET 87 N -4.46 0.31 -2.11 3.56 2.81 -0.59 -4.96 117.12 111.68 2pkr n MET 87 Ca 0.07 0.06 -0.03 0.00 -1.81 0.00 0.00 57.70 55.99 2pkr n MET 87 Cb 0.35 -1.67 -0.00 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 1.34 0.28 3.68 3.03 0.00 0.68 -4.97 105.19 109.22 2pkr n GLY 88 Ca 0.03 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 2pkr n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pkr s ILE 89 N -2.23 2.98 -0.15 -0.61 -1.09 -0.03 -4.83 121.20 115.24 2pkr s ILE 89 Ca 0.01 0.26 -0.27 0.00 -2.23 0.00 0.00 60.65 58.41 2pkr s ILE 89 Cb -0.00 -3.17 -0.25 0.00 -1.58 0.00 0.00 42.46 37.46 2pkr s ILE 89 CO 0.01 -0.01 0.67 0.44 -1.23 0.00 0.00 174.94 174.82 2pkr h ASP 90 N 9.31 0.02 -3.42 3.58 3.32 -1.44 -2.83 116.42 124.96 2pkr h ASP 90 Ca -0.45 -0.91 -0.48 0.00 0.02 0.00 0.00 57.03 55.21 2pkr h ASP 90 Cb 1.21 -0.01 -0.34 0.00 0.22 0.00 0.00 39.33 40.42 2pkr h ASP 90 CO 0.94 1.11 -0.80 -0.22 -1.72 0.00 0.00 179.24 178.55 2pkr s LEU 91 N -8.14 1.51 -0.23 1.55 2.96 -0.78 -1.03 118.68 114.53 2pkr s LEU 91 Ca -0.21 -0.24 -0.08 0.00 -0.22 0.00 0.00 54.13 53.38 2pkr s LEU 91 Cb -0.01 -0.70 -0.04 0.00 0.50 0.00 0.00 46.19 45.94 2pkr s LEU 91 CO 0.68 -0.01 0.09 -0.69 -1.32 0.00 0.00 176.35 175.10 2pkr s VAL 92 N 0.81 4.67 -0.61 1.68 1.01 -0.47 -1.48 120.40 126.01 2pkr s VAL 92 Ca -0.12 -0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.58 2pkr s VAL 92 Cb -0.15 -3.16 0.07 0.00 0.00 0.00 0.00 36.38 33.14 2pkr s VAL 92 CO 0.02 0.38 0.85 -0.63 0.00 0.00 0.00 175.10 175.72 2pkr s ILE 93 N 1.10 4.53 -0.67 2.22 -1.09 -0.52 -1.11 121.20 125.67 2pkr s ILE 93 Ca 0.05 -0.46 -0.27 0.00 -2.23 0.00 0.00 60.65 57.73 2pkr s ILE 93 Cb -0.14 -4.57 0.02 0.00 -1.58 0.00 0.00 42.46 36.19 2pkr s ILE 93 CO 0.04 -1.25 1.39 -0.70 -1.23 0.00 0.00 174.94 173.18 2pkr s GLU 94 N 3.52 3.16 -0.17 2.79 -6.30 -0.02 -1.45 118.70 120.22 2pkr s GLU 94 Ca 0.19 0.07 0.14 0.00 -2.50 0.00 0.00 54.97 52.87 2pkr s GLU 94 Cb -0.19 -4.19 0.38 0.00 0.00 0.00 0.00 34.13 30.14 2pkr s GLU 94 CO 0.10 -2.15 1.20 0.41 0.02 0.00 0.00 175.26 174.84 2pkr n GLY 95 N 5.37 4.66 0.13 -1.50 0.00 -0.31 -1.22 105.19 112.32 2pkr n GLY 95 Ca 0.08 -1.21 0.08 0.00 0.00 0.00 0.00 46.02 44.97 2pkr n GLY 95 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pkr h THR 96 N 1.40 0.22 0.00 2.61 1.35 -1.82 -3.44 112.91 113.23 2pkr h THR 96 Ca -0.02 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 2pkr h THR 96 Cb 1.08 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 2pkr h THR 96 CO 0.01 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 2pkr n GLY 97 N 1.22 0.84 0.00 5.82 0.00 -1.26 -4.86 105.19 106.95 2pkr n GLY 97 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 2pkr n GLY 97 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pkr n VAL 98 N -2.20 0.00 -3.31 1.61 0.24 -1.26 -4.74 118.33 108.66 2pkr n VAL 98 Ca 0.00 -0.28 -0.28 0.00 -2.04 0.00 0.00 64.34 61.73 2pkr n VAL 98 Cb 0.01 0.80 -0.07 0.00 -1.47 0.00 0.00 33.84 33.11 2pkr n VAL 98 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2pkr n PHE 99 N -1.34 3.62 0.69 6.34 3.72 -1.26 -4.85 117.46 124.38 2pkr n PHE 99 Ca 0.01 -4.01 0.10 0.00 -0.05 0.00 0.00 57.45 53.49 2pkr n PHE 99 Cb 0.14 -0.60 0.11 0.00 -0.94 0.00 0.00 39.48 38.18 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 0.70 0.12 -3.83 -4.37 0.24 -1.26 -3.73 118.33 106.20 2pkr n VAL 100 Ca 0.30 -0.56 -0.24 0.00 -2.04 0.00 0.00 64.34 61.80 2pkr n VAL 100 Cb 0.40 1.30 -0.03 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 -1.58 4.73 0.17 -1.34 -4.77 -1.26 -0.07 116.67 112.55 2pkr s ASP 101 Ca 0.25 -1.02 -0.15 0.00 -3.30 0.00 0.00 52.55 48.34 2pkr s ASP 101 Cb 0.17 -0.18 0.05 0.00 -1.09 0.00 0.00 42.92 41.87 2pkr s ASP 101 CO 0.25 -0.79 1.83 0.03 0.70 0.00 0.00 175.17 177.19 2pkr h ARG 102 N 1.03 0.63 -0.23 2.11 3.08 -1.94 -0.34 114.38 118.72 2pkr h ARG 102 Ca -0.40 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.56 2pkr h ARG 102 Cb 1.28 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 2pkr h ARG 102 CO 0.61 0.42 -0.09 -0.44 -1.07 0.00 0.00 179.97 179.39 2pkr h ASP 103 N 0.65 0.34 0.05 7.04 3.32 -1.96 0.27 116.42 126.12 2pkr h ASP 103 Ca 0.18 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 2pkr h ASP 103 Cb -0.07 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.39 2pkr h ASP 103 CO -0.04 0.47 -0.02 1.23 -1.72 0.00 0.00 179.24 179.15 2pkr h GLY 104 N 0.79 -0.07 1.85 2.75 0.00 -1.84 -3.26 103.07 103.30 2pkr h GLY 104 Ca 0.07 0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 2pkr h GLY 104 CO 0.02 -0.03 -0.13 0.00 0.00 0.00 0.00 176.54 176.40 2pkr h ALA 105 N -0.49 1.56 0.00 3.60 0.00 -1.10 -2.18 119.26 120.65 2pkr h ALA 105 Ca -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2pkr h ALA 105 Cb 0.49 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2pkr h ALA 105 CO 0.01 0.32 -0.00 0.78 0.00 0.00 0.00 179.25 180.35 2pkr h GLY 106 N 0.68 0.00 2.00 0.00 0.00 -0.55 -1.51 103.07 103.69 2pkr h GLY 106 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 2pkr h GLY 106 CO 0.02 0.00 -0.01 0.50 0.00 0.00 0.00 176.54 177.05 2pkr h LYS 107 N 0.00 0.00 -0.11 4.80 1.57 -1.42 0.10 116.57 121.50 2pkr h LYS 107 Ca -0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 2pkr h LYS 107 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2pkr h LYS 107 CO 0.00 0.01 -0.64 0.45 -0.57 0.00 0.00 179.45 178.70 2pkr h HIS 108 N 0.00 0.55 -0.33 -1.35 3.86 -1.46 -1.94 115.15 114.48 2pkr h HIS 108 Ca -0.00 -0.22 -0.16 0.00 -1.16 0.00 0.00 60.37 58.83 2pkr h HIS 108 Cb 0.04 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 2pkr h HIS 108 CO 0.00 0.95 -0.44 -0.07 0.86 0.00 0.00 177.93 179.23 2pkr h LEU 109 N 0.31 0.90 -1.39 2.43 3.38 -0.99 -0.98 115.31 118.98 2pkr h LEU 109 Ca -0.01 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 2pkr h LEU 109 Cb 1.19 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 2pkr h LEU 109 CO 0.11 1.21 0.33 1.56 0.09 0.00 0.00 178.44 181.74 2pkr h GLN 110 N 0.67 0.74 0.00 1.13 4.20 -1.08 -0.03 115.11 120.74 2pkr h GLN 110 Ca 0.04 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2pkr h GLN 110 Cb 1.02 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.64 2pkr h GLN 110 CO 0.10 0.52 0.00 0.00 -0.67 0.00 0.00 178.83 178.78 2pkr n ALA 111 N -2.45 2.33 0.00 3.87 0.00 -0.75 -4.90 120.51 118.61 2pkr n ALA 111 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2pkr n ALA 111 Cb 0.07 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.08 2pkr n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pkr n GLY 112 N 1.13 0.81 3.77 0.00 0.00 -0.02 -0.79 105.19 110.09 2pkr n GLY 112 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 3.03 0.05 4.61 0.00 -0.40 -3.74 121.76 123.30 2pkr s ALA 113 Ca 0.00 0.87 0.09 0.00 0.00 0.00 0.00 51.96 52.92 2pkr s ALA 113 Cb 0.00 -3.35 -0.22 0.00 0.00 0.00 0.00 23.12 19.55 2pkr s ALA 113 CO 0.00 -0.52 1.00 0.87 0.00 0.00 0.00 175.76 177.11 2pkr h LYS 114 N 2.24 0.01 -3.37 0.00 1.57 -1.40 -3.37 116.57 112.24 2pkr h LYS 114 Ca -0.49 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.20 2pkr h LYS 114 Cb 1.24 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.40 2pkr h LYS 114 CO 0.61 0.78 -0.19 0.21 -0.57 0.00 0.00 179.45 180.29 2pkr s LYS 115 N -2.66 0.91 -0.04 3.15 2.20 -0.20 -4.88 119.74 118.23 2pkr s LYS 115 Ca -0.02 -0.62 0.02 0.00 -0.36 0.00 0.00 55.97 55.00 2pkr s LYS 115 Cb 0.09 0.39 0.01 0.00 -1.51 0.00 0.00 37.83 36.81 2pkr s LYS 115 CO 0.82 -0.32 -0.09 0.08 -0.36 0.00 0.00 175.35 175.49 2pkr s VAL 116 N -3.12 0.80 -0.31 4.02 1.01 -0.26 -1.37 120.40 121.17 2pkr s VAL 116 Ca -0.01 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.65 2pkr s VAL 116 Cb 0.01 -0.74 0.08 0.00 0.00 0.00 0.00 36.38 35.73 2pkr s VAL 116 CO -0.07 0.26 -0.01 -0.22 0.00 0.00 0.00 175.10 175.06 2pkr s LEU 117 N 0.41 4.16 -0.05 3.92 0.20 -0.27 -0.71 118.68 126.34 2pkr s LEU 117 Ca -0.07 -1.72 -0.28 0.00 0.69 0.00 0.00 54.13 52.75 2pkr s LEU 117 Cb -0.11 -1.63 -0.02 0.00 -0.43 0.00 0.00 46.19 44.00 2pkr s LEU 117 CO 0.01 -0.30 0.93 -0.63 -0.29 0.00 0.00 176.35 176.07 2pkr s ILE 118 N 1.05 4.88 -0.05 6.68 1.01 0.48 -0.84 121.20 134.40 2pkr s ILE 118 Ca 0.00 1.92 -0.04 0.00 0.00 0.00 0.00 60.65 62.53 2pkr s ILE 118 Cb -0.20 -4.26 -0.15 0.00 0.01 0.00 0.00 42.46 37.86 2pkr s ILE 118 CO -0.05 0.12 3.07 0.35 0.00 0.00 0.00 174.94 178.42 2pkr n THR 119 N 4.13 2.76 -3.74 2.92 -2.24 -0.36 -1.70 114.28 116.06 2pkr n THR 119 Ca 0.05 -1.39 0.01 0.00 -2.27 0.00 0.00 64.05 60.46 2pkr n THR 119 Cb 0.50 -1.81 0.00 0.00 -2.10 0.00 0.00 70.33 66.93 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 0.38 -2.24 0.37 6.98 0.00 -1.20 -4.91 121.76 121.14 2pkr s ALA 120 Ca 0.48 0.43 -0.28 0.00 0.00 0.00 0.00 51.96 52.58 2pkr s ALA 120 Cb 0.24 0.54 -0.11 0.00 0.00 0.00 0.00 23.12 23.80 2pkr s ALA 120 CO -0.02 -1.08 1.42 -2.14 0.00 0.00 0.00 175.76 173.94 2pkr s PRO 121 N -2.33 4.17 0.21 0.00 0.02 -1.24 -3.71 135.00 132.11 2pkr s PRO 121 Ca 0.19 2.44 -0.12 0.00 0.02 0.00 0.00 61.00 63.53 2pkr s PRO 121 Cb 0.03 -2.98 -0.07 0.00 0.02 0.00 0.00 34.50 31.49 2pkr s PRO 121 CO -0.02 -0.43 0.58 0.20 -0.33 0.00 0.00 177.00 176.99 2pkr s GLY 122 N -0.28 2.37 -0.10 0.52 0.00 -1.26 -4.92 107.32 103.65 2pkr s GLY 122 Ca 0.52 -0.16 -0.12 0.00 0.00 0.00 0.00 44.72 44.96 2pkr s GLY 122 CO 0.59 0.05 0.28 0.54 0.00 0.00 0.00 173.10 174.56 2pkr s LYS 122 N -2.45 3.90 0.39 2.90 -0.14 0.90 -4.83 119.74 120.42 2pkr s LYS 122 Ca 0.44 0.12 0.00 0.00 -1.36 0.00 0.00 55.97 55.17 2pkr s LYS 122 Cb -0.13 -3.29 0.00 0.00 -1.68 0.00 0.00 37.83 32.73 2pkr s LYS 122 CO 0.20 0.55 0.00 0.41 -0.76 0.00 0.00 175.35 175.75 2pkr n GLY 123 N 2.47 0.42 2.92 -3.33 0.00 -1.26 -4.12 105.19 102.29 2pkr n GLY 123 Ca -0.15 -1.66 -0.39 0.00 0.00 0.00 0.00 46.02 43.82 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 0.27 5.61 -4.21 1.61 2.03 -1.26 -4.96 116.55 115.64 2pkr n ASP 124 Ca 0.00 -3.37 -0.34 0.00 0.52 0.00 0.00 54.79 51.61 2pkr n ASP 124 Cb 0.00 -1.13 -0.15 0.00 -0.72 0.00 0.00 41.12 39.11 2pkr n ASP 124 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2pkr s ILE 125 N -2.49 2.56 -0.06 5.18 1.01 -1.26 -4.99 121.20 121.16 2pkr s ILE 125 Ca 0.33 -0.78 -0.36 0.00 0.00 0.00 0.00 60.65 59.83 2pkr s ILE 125 Cb 0.05 -2.11 -0.14 0.00 0.01 0.00 0.00 42.46 40.27 2pkr s ILE 125 CO 0.05 0.50 1.66 -2.65 0.00 0.00 0.00 174.94 174.50 2pkr n PRO 126 N 4.54 1.64 -4.73 2.79 -0.02 -1.26 -4.75 135.00 133.21 2pkr n PRO 126 Ca -0.20 0.60 -0.33 0.00 -2.02 0.00 0.00 63.50 61.55 2pkr n PRO 126 Cb 0.51 -2.33 -0.12 0.00 -0.02 0.00 0.00 33.50 31.53 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 2.49 3.37 0.02 3.45 2.01 -1.26 -0.87 115.64 124.85 2pkr s THR 127 Ca 0.90 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 62.32 2pkr s THR 127 Cb -0.86 -2.37 -0.02 0.00 0.01 0.00 0.00 72.50 69.26 2pkr s THR 127 CO 0.52 0.58 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.65 2pkr s TYR 128 N -0.50 0.54 -0.15 4.92 2.02 -0.09 -4.79 117.35 119.30 2pkr s TYR 128 Ca 0.07 -0.35 -0.01 0.00 -0.37 0.00 0.00 57.07 56.41 2pkr s TYR 128 Cb -0.12 -0.33 0.04 0.00 -0.40 0.00 0.00 41.96 41.15 2pkr s TYR 128 CO 0.02 -0.07 -0.05 0.08 -1.57 0.00 0.00 175.55 173.96 2pkr s VAL 129 N -0.93 1.03 0.15 0.71 1.01 -1.26 -4.15 120.40 116.96 2pkr s VAL 129 Ca -0.06 -0.49 -0.31 0.00 0.00 0.00 0.00 61.98 61.11 2pkr s VAL 129 Cb -0.07 -1.17 -0.11 0.00 0.00 0.00 0.00 36.38 35.03 2pkr s VAL 129 CO 0.00 0.20 1.74 -0.69 0.00 0.00 0.00 175.10 176.35 2pkr s VAL 130 N 1.68 2.43 0.00 2.92 1.01 -1.26 -0.83 120.40 126.35 2pkr s VAL 130 Ca 0.02 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2pkr s VAL 130 Cb -0.14 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.15 2pkr s VAL 130 CO -0.08 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.64 2pkr n GLY 131 N 4.06 0.39 1.22 4.51 0.00 -1.26 -4.88 105.19 109.24 2pkr n GLY 131 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 0.41 -2.12 1.61 0.31 -0.01 -4.90 118.33 111.62 2pkr n VAL 132 Ca 0.00 0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 2pkr n VAL 132 Cb 0.00 -1.32 -0.00 0.00 -0.91 0.00 0.00 33.84 31.61 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 -3.15 0.16 0.29 4.52 2.04 -0.87 -4.91 115.26 113.34 2pkr n ASN 133 Ca 0.00 -1.82 0.16 0.00 -0.44 0.00 0.00 54.58 52.48 2pkr n ASN 133 Cb 0.23 -0.14 0.88 0.00 -2.53 0.00 0.00 39.78 38.21 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 0.25 0.00 0.00 -3.83 9.09 -1.94 -2.10 114.58 116.05 2pkr h GLU 134 Ca -0.11 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.30 2pkr h GLU 134 Cb 1.45 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.55 2pkr h GLU 134 CO -0.00 0.05 0.00 0.39 0.05 0.00 0.00 179.01 179.50 2pkr n GLU 135 N -3.44 0.03 0.00 1.06 4.71 -1.26 -1.58 120.64 120.16 2pkr n GLU 135 Ca -0.02 0.38 0.14 0.00 -0.01 0.00 0.00 57.16 57.65 2pkr n GLU 135 Cb 0.18 -1.57 0.50 0.00 -1.01 0.00 0.00 31.44 29.54 2pkr n GLU 135 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2pkr n GLY 136 N -0.62 -0.38 3.77 0.62 0.00 -0.79 -4.91 105.19 102.88 2pkr n GLY 136 Ca 0.02 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.24 3.19 0.04 1.61 5.04 -0.61 -5.05 117.35 119.32 2pkr s TYR 137 Ca 0.32 1.49 0.04 0.00 -2.44 0.00 0.00 57.07 56.49 2pkr s TYR 137 Cb 0.20 -3.57 -0.02 0.00 0.35 0.00 0.00 41.96 38.92 2pkr s TYR 137 CO 0.42 -1.50 -0.12 0.95 -1.34 0.00 0.00 175.55 173.96 2pkr s THR 138 N -1.15 0.93 -0.21 4.34 -4.23 -1.26 -5.02 115.64 109.04 2pkr s THR 138 Ca 0.48 -0.97 0.14 0.00 -1.18 0.00 0.00 61.69 60.16 2pkr s THR 138 Cb -0.38 -0.87 0.14 0.00 1.34 0.00 0.00 72.50 72.73 2pkr s THR 138 CO 0.50 -0.08 1.37 1.57 -0.54 0.00 0.00 174.62 177.44 2pkr n HIS 139 N 1.86 0.48 0.27 3.99 -0.00 -1.26 -1.42 115.22 119.15 2pkr n HIS 139 Ca -0.19 0.25 0.14 0.00 0.46 0.00 0.00 57.72 58.38 2pkr n HIS 139 Cb 0.55 -0.80 0.35 0.00 -0.12 0.00 0.00 29.99 29.97 2pkr n HIS 139 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2pkr h ALA 140 N 1.59 1.00 -1.94 1.57 0.00 -1.95 -3.42 119.26 116.10 2pkr h ALA 140 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 2pkr h ALA 140 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2pkr h ALA 140 CO 0.00 0.00 1.35 -0.51 0.00 0.00 0.00 179.25 180.09 2pkr s ASP 141 N -5.87 5.76 0.39 0.00 1.01 -0.51 -4.82 116.67 112.64 2pkr s ASP 141 Ca 0.05 1.59 0.23 0.00 0.71 0.00 0.00 52.55 55.13 2pkr s ASP 141 Cb 0.07 -2.52 0.27 0.00 1.01 0.00 0.00 42.92 41.74 2pkr s ASP 141 CO 0.62 -1.76 1.50 0.71 0.21 0.00 0.00 175.17 176.44 2pkr h THR 142 N 6.88 0.03 -3.27 -1.27 1.35 -1.90 -3.44 112.91 111.29 2pkr h THR 142 Ca -0.37 -1.04 -0.33 0.00 -0.55 0.00 0.00 66.41 64.12 2pkr h THR 142 Cb 1.20 1.92 -0.37 0.00 -1.73 0.00 0.00 68.15 69.17 2pkr h THR 142 CO 1.00 0.02 -0.70 -0.63 -0.25 0.00 0.00 175.52 174.96 2pkr s ILE 143 N -3.23 -0.14 0.29 6.82 1.01 -1.26 -1.10 121.20 123.58 2pkr s ILE 143 Ca 0.05 0.36 0.05 0.00 0.00 0.00 0.00 60.65 61.12 2pkr s ILE 143 Cb 0.06 -0.19 -0.06 0.00 0.01 0.00 0.00 42.46 42.28 2pkr s ILE 143 CO 0.70 0.15 -0.02 0.27 0.00 0.00 0.00 174.94 176.04 2pkr s ILE 144 N 1.99 1.45 0.02 2.92 -4.36 0.11 -4.02 121.20 119.32 2pkr s ILE 144 Ca 0.02 -2.07 0.05 0.00 -0.26 0.00 0.00 60.65 58.39 2pkr s ILE 144 Cb -0.12 -2.55 -0.02 0.00 1.25 0.00 0.00 42.46 41.02 2pkr s ILE 144 CO -0.04 -0.21 -0.16 -0.55 0.24 0.00 0.00 174.94 174.22 2pkr s SER 145 N -3.45 1.88 -0.12 4.36 0.15 -0.05 -0.39 113.70 116.09 2pkr s SER 145 Ca 0.31 -0.42 0.17 0.00 0.70 0.00 0.00 55.95 56.72 2pkr s SER 145 Cb 0.06 -0.16 0.69 0.00 -1.71 0.00 0.00 66.02 64.90 2pkr s SER 145 CO 0.13 0.11 1.60 -3.20 1.20 0.00 0.00 173.24 173.07 2pkr n ASN 146 N 2.13 4.66 -0.34 5.45 5.15 -0.69 -0.92 115.26 130.71 2pkr n ASN 146 Ca -0.17 -2.51 0.00 0.00 -0.60 0.00 0.00 54.58 51.30 2pkr n ASN 146 Cb 0.54 -0.56 0.00 0.00 -0.53 0.00 0.00 39.78 39.23 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 0.90 0.00 -2.20 5.20 0.00 -1.24 -4.77 120.51 118.40 2pkr n ALA 147 Ca 0.25 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.50 2pkr n ALA 147 Cb 0.89 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.33 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 5.49 0.20 0.00 1.04 -1.26 -3.25 113.70 111.92 2pkr s SER 148 Ca 0.00 -0.49 -0.09 0.00 0.48 0.00 0.00 55.95 55.85 2pkr s SER 148 Cb 0.00 -0.76 0.14 0.00 0.10 0.00 0.00 66.02 65.50 2pkr s SER 148 CO 0.00 -0.63 1.79 0.00 0.98 0.00 0.00 173.24 175.38 2pkr h THR 150 N 1.06 1.25 -0.30 0.00 2.02 -1.96 -2.11 112.91 112.88 2pkr h THR 150 Ca 0.26 -1.09 -0.07 0.00 0.77 0.00 0.00 66.41 66.28 2pkr h THR 150 Cb 0.12 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 2pkr h THR 150 CO -0.03 0.38 -0.10 0.74 0.37 0.00 0.00 175.52 176.88 2pkr h THR 151 N 0.79 1.22 0.00 3.16 2.02 -1.62 -0.86 112.91 117.62 2pkr h THR 151 Ca 0.15 -0.97 -0.04 0.00 0.77 0.00 0.00 66.41 66.31 2pkr h THR 151 Cb 0.51 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 2pkr h THR 151 CO 0.03 0.32 -0.21 0.78 0.37 0.00 0.00 175.52 176.81 2pkr h ASN 152 N 0.47 0.00 0.17 4.18 4.21 -0.78 -1.82 115.58 122.01 2pkr h ASN 152 Ca 0.09 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.29 2pkr h ASN 152 Cb 0.46 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.67 2pkr h ASN 152 CO 0.03 0.21 -1.55 0.00 -1.29 0.00 0.00 177.43 174.82 2pkr h LEU 154 N -0.06 -0.32 -0.91 0.00 5.85 -1.13 -3.38 115.31 115.36 2pkr h LEU 154 Ca -0.31 0.01 0.18 0.00 0.84 0.00 0.00 57.88 58.60 2pkr h LEU 154 Cb 1.97 0.08 -0.17 0.00 0.37 0.00 0.00 40.66 42.91 2pkr h LEU 154 CO 0.15 0.06 -0.25 0.00 -0.34 0.00 0.00 178.44 178.05 2pkr n ALA 155 N -2.63 0.17 -0.06 1.25 0.00 -0.69 -1.30 120.51 117.24 2pkr n ALA 155 Ca -0.05 0.99 -0.08 0.00 0.00 0.00 0.00 53.44 54.31 2pkr n ALA 155 Cb 0.15 -0.57 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 2pkr n ALA 155 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2pkr h PRO 156 N 0.00 -0.20 0.00 0.00 0.11 -1.77 0.19 132.00 130.33 2pkr h PRO 156 Ca 0.42 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.54 2pkr h PRO 156 Cb 0.65 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2pkr h PRO 156 CO -0.94 -0.13 -0.15 0.27 -0.21 0.00 0.00 178.00 176.84 2pkr h PHE 157 N -0.21 0.00 -0.31 0.65 -5.15 -1.47 -3.03 116.94 107.42 2pkr h PHE 157 Ca 0.15 0.00 -0.14 0.00 -0.20 0.00 0.00 57.97 57.78 2pkr h PHE 157 Cb 0.44 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.60 2pkr h PHE 157 CO -0.39 0.00 -0.37 0.28 -2.00 0.00 0.00 178.31 175.82 2pkr h VAL 158 N 0.00 1.29 -0.89 0.88 2.07 -0.60 -0.81 116.25 118.18 2pkr h VAL 158 Ca 0.00 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 65.98 2pkr h VAL 158 Cb 0.95 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 2pkr h VAL 158 CO 0.00 0.50 0.53 0.50 0.02 0.00 0.00 177.57 179.12 2pkr h LYS 159 N 0.60 1.21 -0.31 1.57 3.64 -0.53 -0.15 116.57 122.60 2pkr h LYS 159 Ca 0.06 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 2pkr h LYS 159 Cb 0.91 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2pkr h LYS 159 CO 0.08 0.85 -0.14 0.28 -2.27 0.00 0.00 179.45 178.25 2pkr h VAL 160 N 1.22 1.29 -0.60 2.00 2.07 -1.35 -2.03 116.25 118.85 2pkr h VAL 160 Ca 0.32 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 2pkr h VAL 160 Cb -0.04 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2pkr h VAL 160 CO -0.06 0.40 0.32 -0.07 0.02 0.00 0.00 177.57 178.18 2pkr h LEU 161 N 0.42 0.76 -0.53 2.57 3.38 -0.82 -0.94 115.31 120.15 2pkr h LEU 161 Ca 0.07 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2pkr h LEU 161 Cb 0.67 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2pkr h LEU 161 CO 0.04 0.65 0.01 -0.78 0.09 0.00 0.00 178.44 178.45 2pkr h ASP 162 N 0.82 0.91 -0.32 -0.43 3.58 -0.98 0.21 116.42 120.21 2pkr h ASP 162 Ca 0.21 -0.30 -0.09 0.00 0.42 0.00 0.00 57.03 57.27 2pkr h ASP 162 Cb 0.07 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 2pkr h ASP 162 CO -0.03 0.99 -0.16 -0.61 -2.88 0.00 0.00 179.24 176.56 2pkr h GLN 163 N 0.81 0.67 0.05 0.28 5.75 -1.17 -0.50 115.11 121.00 2pkr h GLN 163 Ca 0.15 -0.29 -0.25 0.00 -0.15 0.00 0.00 58.65 58.11 2pkr h GLN 163 Cb 0.52 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.03 2pkr h GLN 163 CO 0.03 0.88 -1.22 0.87 -2.65 0.00 0.00 178.83 176.74 2pkr h LYS 164 N 0.43 0.10 0.00 1.69 1.79 -1.15 -3.41 116.57 116.01 2pkr h LYS 164 Ca 0.07 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2pkr h LYS 164 Cb 0.69 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 2pkr h LYS 164 CO 0.05 1.01 -0.70 1.19 -1.08 0.00 0.00 179.45 179.92 2pkr n PHE 165 N -3.37 0.00 -1.28 -1.35 3.72 0.69 -4.95 117.46 110.92 2pkr n PHE 165 Ca -0.06 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2pkr n PHE 165 Cb 0.99 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.53 2pkr n PHE 165 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pkr n GLY 166 N 1.75 -3.23 3.61 1.37 0.00 -0.20 -2.02 105.19 106.48 2pkr n GLY 166 Ca 0.00 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.08 4.84 -0.14 -0.61 1.01 -1.26 -0.48 121.20 124.48 2pkr s ILE 167 Ca -0.01 1.10 -0.22 0.00 0.00 0.00 0.00 60.65 61.53 2pkr s ILE 167 Cb 0.00 -4.10 -0.20 0.00 0.01 0.00 0.00 42.46 38.18 2pkr s ILE 167 CO 0.02 -0.20 0.55 0.40 0.00 0.00 0.00 174.94 175.71 2pkr h ILE 168 N 5.57 1.33 -2.56 2.92 2.04 -1.34 -3.48 117.51 121.98 2pkr h ILE 168 Ca -0.25 -2.02 0.07 0.00 1.00 0.00 0.00 64.86 63.66 2pkr h ILE 168 Cb 1.10 2.53 -0.13 0.00 -0.74 0.00 0.00 36.82 39.59 2pkr h ILE 168 CO 0.86 0.45 0.39 -1.59 0.00 0.00 0.00 178.15 178.25 2pkr s LYS 169 N -2.08 1.08 0.20 2.37 -2.85 -1.20 -4.82 119.74 112.44 2pkr s LYS 169 Ca -0.15 -0.44 -0.23 0.00 -1.00 0.00 0.00 55.97 54.14 2pkr s LYS 169 Cb -0.02 0.46 0.05 0.00 -2.06 0.00 0.00 37.83 36.26 2pkr s LYS 169 CO 0.53 -0.48 0.83 0.20 0.10 0.00 0.00 175.35 176.53 2pkr s GLY 170 N -2.65 -0.21 0.08 0.59 0.00 0.42 -0.89 107.32 104.66 2pkr s GLY 170 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 44.72 44.80 2pkr s GLY 170 CO -0.08 -0.01 -0.08 -0.51 0.00 0.00 0.00 173.10 172.42 2pkr s THR 171 N -3.59 0.68 -0.01 0.90 -4.23 0.58 -3.04 115.64 106.94 2pkr s THR 171 Ca 0.11 -1.57 -0.04 0.00 -1.18 0.00 0.00 61.69 59.00 2pkr s THR 171 Cb -0.03 -1.23 -0.00 0.00 1.34 0.00 0.00 72.50 72.57 2pkr s THR 171 CO 0.03 -0.64 0.09 -0.32 -0.54 0.00 0.00 174.62 173.24 2pkr s MET 172 N -2.82 0.32 -0.05 3.99 -2.45 -0.28 -1.33 119.30 116.68 2pkr s MET 172 Ca 0.03 -0.27 0.01 0.00 -1.25 0.00 0.00 55.69 54.21 2pkr s MET 172 Cb -0.02 0.13 0.02 0.00 1.25 0.00 0.00 34.83 36.22 2pkr s MET 172 CO -0.02 -0.07 -0.05 0.99 1.05 0.00 0.00 175.02 176.92 2pkr s THR 173 N -0.92 0.61 -0.16 10.11 2.01 0.01 -1.37 115.64 125.93 2pkr s THR 173 Ca -0.10 -0.16 -0.00 0.00 0.31 0.00 0.00 61.69 61.74 2pkr s THR 173 Cb -0.06 -0.62 -0.00 0.00 0.01 0.00 0.00 72.50 71.82 2pkr s THR 173 CO 0.00 0.24 -0.13 0.28 -0.69 0.00 0.00 174.62 174.33 2pkr s THR 174 N 0.95 2.82 -0.57 -0.82 -1.32 -0.95 -0.20 115.64 115.55 2pkr s THR 174 Ca -0.10 -0.71 -0.20 0.00 -1.21 0.00 0.00 61.69 59.46 2pkr s THR 174 Cb -0.14 -2.21 0.07 0.00 -1.51 0.00 0.00 72.50 68.71 2pkr s THR 174 CO 0.00 0.50 0.76 -0.89 -2.21 0.00 0.00 174.62 172.78 2pkr s THR 175 N 0.87 4.69 -0.09 5.08 2.01 -0.24 0.30 115.64 128.25 2pkr s THR 175 Ca -0.04 -0.53 -0.00 0.00 0.31 0.00 0.00 61.69 61.43 2pkr s THR 175 Cb -0.15 -4.47 -0.03 0.00 0.01 0.00 0.00 72.50 67.87 2pkr s THR 175 CO -0.00 -1.08 -0.07 -2.28 -0.69 0.00 0.00 174.62 170.49 2pkr s HIS 176 N 3.10 2.92 0.78 4.92 5.04 -0.22 -1.20 115.29 130.63 2pkr s HIS 176 Ca 0.17 -0.14 -0.14 0.00 -1.54 0.00 0.00 55.06 53.42 2pkr s HIS 176 Cb -0.19 -1.78 0.07 0.00 0.04 0.00 0.00 32.58 30.72 2pkr s HIS 176 CO 0.11 0.18 1.19 -1.12 -2.34 0.00 0.00 174.74 172.75 2pkr s SER 177 N -0.41 3.92 0.74 9.88 0.01 -1.25 -1.10 113.70 125.50 2pkr s SER 177 Ca 0.06 2.28 -0.11 0.00 1.31 0.00 0.00 55.95 59.49 2pkr s SER 177 Cb -0.12 -2.58 0.04 0.00 0.21 0.00 0.00 66.02 63.56 2pkr s SER 177 CO 0.02 -2.44 1.08 -0.72 0.41 0.00 0.00 173.24 171.59 2pkr s TYR 178 N -2.20 2.79 0.22 2.43 -0.85 -0.40 -4.75 117.35 114.59 2pkr s TYR 178 Ca 0.72 1.50 0.02 0.00 -0.52 0.00 0.00 57.07 58.79 2pkr s TYR 178 Cb -0.27 -2.98 -0.05 0.00 0.38 0.00 0.00 41.96 39.04 2pkr s TYR 178 CO 0.49 -1.57 0.03 0.95 -1.52 0.00 0.00 175.55 173.93 2pkr s THR 179 N -2.94 0.75 0.51 -3.49 -4.23 -1.26 -4.73 115.64 100.24 2pkr s THR 179 Ca 0.60 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.40 2pkr s THR 179 Cb -0.16 -2.37 0.29 0.00 1.34 0.00 0.00 72.50 71.60 2pkr s THR 179 CO 0.55 -0.27 1.87 1.23 -0.54 0.00 0.00 174.62 177.47 2pkr h GLY 180 N 2.52 0.00 1.95 3.99 0.00 -1.98 0.82 103.07 110.36 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 0.63 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.51 2pkr n ASP 181 N -2.74 0.00 -4.96 0.19 2.03 -1.26 -4.73 116.55 105.08 2pkr n ASP 181 Ca -0.02 0.44 -0.22 0.00 0.52 0.00 0.00 54.79 55.50 2pkr n ASP 181 Cb 0.30 -0.47 -0.01 0.00 -0.72 0.00 0.00 41.12 40.22 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 -2.95 3.40 -0.04 -0.67 -0.21 0.28 -4.95 119.66 114.53 2pkr s GLN 182 Ca 0.11 -0.55 -0.15 0.00 0.02 0.00 0.00 55.36 54.80 2pkr s GLN 182 Cb 0.13 -2.74 -0.05 0.00 1.00 0.00 0.00 33.01 31.35 2pkr s GLN 182 CO 0.36 0.19 0.39 1.03 -2.12 0.00 0.00 175.29 175.14 2pkr s ARG 183 N -4.22 3.96 0.17 2.91 1.81 -1.09 -4.94 118.95 117.55 2pkr s ARG 183 Ca 0.39 0.35 -0.14 0.00 -1.72 0.00 0.00 55.73 54.61 2pkr s ARG 183 Cb -0.09 -3.26 0.08 0.00 -0.45 0.00 0.00 34.95 31.22 2pkr s ARG 183 CO 0.33 0.60 1.81 1.25 -0.68 0.00 0.00 175.30 178.61 2pkr h LEU 184 N 5.13 0.44 -8.63 2.53 5.85 -1.91 -1.31 115.31 117.41 2pkr h LEU 184 Ca -0.50 0.01 -0.36 0.00 0.84 0.00 0.00 57.88 57.87 2pkr h LEU 184 Cb 1.21 -0.09 -0.16 0.00 0.37 0.00 0.00 40.66 41.99 2pkr h LEU 184 CO 0.64 0.31 -0.73 -0.76 -0.34 0.00 0.00 178.44 177.56 2pkr s LEU 185 N -10.21 2.48 -0.31 2.25 1.43 -1.26 -3.72 118.68 109.34 2pkr s LEU 185 Ca -0.13 -0.92 -0.35 0.00 -1.03 0.00 0.00 54.13 51.69 2pkr s LEU 185 Cb 0.12 -0.43 -0.11 0.00 0.03 0.00 0.00 46.19 45.80 2pkr s LEU 185 CO 0.73 -0.25 2.12 0.47 0.23 0.00 0.00 176.35 179.65 2pkr n ASP 186 N 0.11 2.35 0.00 2.29 9.92 -1.25 -4.40 116.55 125.57 2pkr n ASP 186 Ca -0.12 0.52 0.00 0.00 -0.53 0.00 0.00 54.79 54.66 2pkr n ASP 186 Cb 0.59 -1.28 0.00 0.00 -0.64 0.00 0.00 41.12 39.79 2pkr n ASP 186 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2pkr n ALA 187 N 9.17 0.00 -3.89 2.24 0.00 -0.45 -4.97 120.51 122.62 2pkr n ALA 187 Ca 0.37 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.48 2pkr n ALA 187 Cb 0.24 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.54 2pkr n ALA 187 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2pkr s SER 188 N 1.00 4.50 0.47 0.00 1.04 -1.26 -4.64 113.70 114.81 2pkr s SER 188 Ca 0.00 -1.24 0.05 0.00 0.48 0.00 0.00 55.95 55.24 2pkr s SER 188 Cb 0.00 -1.61 -0.03 0.00 0.10 0.00 0.00 66.02 64.48 2pkr s SER 188 CO 0.00 -0.19 0.15 -2.28 0.98 0.00 0.00 173.24 171.90 2pkr s HIS 190 N 1.19 2.18 0.04 5.02 5.04 -1.26 -4.99 115.29 122.51 2pkr s HIS 190 Ca -0.06 -0.76 -0.25 0.00 -1.54 0.00 0.00 55.06 52.46 2pkr s HIS 190 Cb -0.19 -1.83 -0.17 0.00 0.04 0.00 0.00 32.58 30.43 2pkr s HIS 190 CO -0.04 0.10 1.48 0.07 -2.34 0.00 0.00 174.74 174.01 2pkr h ARG 191 N 1.32 -0.12 -6.20 2.88 -0.00 -1.98 -3.41 114.38 106.88 2pkr h ARG 191 Ca -0.42 0.01 -0.52 0.00 -0.00 0.00 0.00 59.98 59.04 2pkr h ARG 191 Cb 1.28 0.03 -0.06 0.00 -0.00 0.00 0.00 29.97 31.22 2pkr h ARG 191 CO 0.70 0.12 1.20 0.34 -0.00 0.00 0.00 179.97 182.34 2pkr s ASP 192 N -5.30 5.75 0.65 0.08 -1.08 -1.26 -4.94 116.67 110.57 2pkr s ASP 192 Ca -0.14 0.05 0.40 0.00 -0.52 0.00 0.00 52.55 52.34 2pkr s ASP 192 Cb 0.04 -2.54 2.18 0.00 -1.46 0.00 0.00 42.92 41.14 2pkr s ASP 192 CO 0.64 -2.06 2.23 -0.07 0.52 0.00 0.00 175.17 176.44 2pkr h LEU 193 N 14.57 0.00 0.15 -1.34 -0.00 -1.98 -1.77 115.31 124.94 2pkr h LEU 193 Ca -0.27 0.00 -0.34 0.00 -0.00 0.00 0.00 57.88 57.27 2pkr h LEU 193 Cb 1.11 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.77 2pkr h LEU 193 CO 1.23 0.00 -1.78 0.03 -0.00 0.00 0.00 178.44 177.92 2pkr h ARG 194 N 0.00 0.32 0.00 1.13 3.08 -1.92 -3.24 114.38 113.74 2pkr h ARG 194 Ca 0.00 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 59.51 2pkr h ARG 194 Cb 0.16 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2pkr h ARG 194 CO 0.00 1.21 0.00 0.54 -1.07 0.00 0.00 179.97 180.65 2pkr n ARG 195 N -3.51 0.25 0.20 0.04 1.74 -0.92 -2.22 116.66 112.24 2pkr n ARG 195 Ca -0.25 0.10 0.09 0.00 -0.77 0.00 0.00 57.85 57.02 2pkr n ARG 195 Cb 1.06 -1.50 0.24 0.00 -1.02 0.00 0.00 32.46 31.24 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 2.92 0.89 -2.43 7.54 0.00 -1.36 -2.88 119.26 123.94 2pkr h ALA 196 Ca 0.00 -0.20 -0.47 0.00 0.00 0.00 0.00 54.91 54.24 2pkr h ALA 196 Cb 0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2pkr h ALA 196 CO 0.00 0.28 0.32 1.03 0.00 0.00 0.00 179.25 180.88 2pkr s ARG 197 N -3.27 4.53 -0.44 0.00 1.81 -0.94 -1.34 118.95 119.30 2pkr s ARG 197 Ca 0.04 1.27 -0.38 0.00 -1.72 0.00 0.00 55.73 54.94 2pkr s ARG 197 Cb 0.07 -2.77 -0.16 0.00 -0.45 0.00 0.00 34.95 31.64 2pkr s ARG 197 CO 0.68 0.27 1.85 0.00 -0.68 0.00 0.00 175.30 177.42 2pkr n ALA 198 N 0.49 0.19 0.17 2.13 0.00 -1.26 -4.46 120.51 117.78 2pkr n ALA 198 Ca 0.02 0.16 0.02 0.00 0.00 0.00 0.00 53.44 53.63 2pkr n ALA 198 Cb 0.50 -1.80 0.32 0.00 0.00 0.00 0.00 19.45 18.48 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 7.79 1.31 -0.00 0.00 0.00 -1.31 -2.87 119.26 124.17 2pkr h ALA 199 Ca -0.09 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2pkr h ALA 199 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2pkr h ALA 199 CO 0.94 0.52 -0.10 0.00 0.00 0.00 0.00 179.25 180.61 2pkr n LEU 201 N -0.81 0.56 -4.18 0.00 4.77 -1.10 -4.78 117.00 111.48 2pkr n LEU 201 Ca 0.16 -0.43 -0.14 0.00 -0.03 0.00 0.00 56.01 55.56 2pkr n LEU 201 Cb 0.28 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.26 2pkr n LEU 201 CO 0.23 0.14 -0.41 0.20 -1.33 0.00 0.00 177.39 176.21 2pkr s ASN 202 N -2.49 1.44 -0.45 -1.43 -0.87 -1.15 -5.06 114.94 104.93 2pkr s ASN 202 Ca 0.04 -0.83 -0.25 0.00 -1.57 0.00 0.00 52.86 50.25 2pkr s ASN 202 Cb 0.10 0.01 0.03 0.00 -0.02 0.00 0.00 41.25 41.37 2pkr s ASN 202 CO 0.57 -0.27 0.90 -0.63 -2.57 0.00 0.00 177.10 175.10 2pkr s ILE 203 N -2.51 4.51 -0.40 0.60 1.01 -1.26 -4.09 121.20 119.06 2pkr s ILE 203 Ca 0.06 0.75 -0.07 0.00 0.00 0.00 0.00 60.65 61.39 2pkr s ILE 203 Cb -0.02 -4.41 0.08 0.00 0.01 0.00 0.00 42.46 38.12 2pkr s ILE 203 CO -0.00 -0.79 0.21 -0.69 0.00 0.00 0.00 174.94 173.68 2pkr s VAL 204 N 3.66 3.87 0.31 2.92 1.01 0.33 -4.91 120.40 127.58 2pkr s VAL 204 Ca 0.36 -1.54 -0.29 0.00 0.00 0.00 0.00 61.98 60.51 2pkr s VAL 204 Cb -0.11 -3.41 -0.10 0.00 0.00 0.00 0.00 36.38 32.77 2pkr s VAL 204 CO 0.25 -0.50 1.28 -2.84 0.00 0.00 0.00 175.10 173.30 2pkr s PRO 205 N 1.34 4.40 0.00 2.72 0.02 -1.26 -0.54 135.00 141.68 2pkr s PRO 205 Ca 0.03 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.20 2pkr s PRO 205 Cb -0.23 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.20 2pkr s PRO 205 CO 0.00 -0.14 0.00 -2.37 -0.33 0.00 0.00 177.00 174.16 2pkr n THR 206 N 1.02 0.00 -2.64 0.99 5.66 0.47 -4.73 114.28 115.05 2pkr n THR 206 Ca 0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.58 2pkr n THR 206 Cb 0.42 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.18 2pkr n THR 206 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2pkr s SER 207 N -0.57 7.19 -0.85 1.09 1.04 -1.26 -1.25 113.70 119.08 2pkr s SER 207 Ca 0.00 1.57 0.00 0.00 0.48 0.00 0.00 55.95 58.00 2pkr s SER 207 Cb 0.00 -2.55 0.22 0.00 0.10 0.00 0.00 66.02 63.79 2pkr s SER 207 CO 0.00 -0.51 0.79 1.07 0.98 0.00 0.00 173.24 175.58 2pkr n THR 208 N 4.68 2.91 0.00 2.02 5.66 -1.26 -4.42 114.28 123.87 2pkr n THR 208 Ca 0.10 -5.16 0.00 0.00 -3.05 0.00 0.00 64.05 55.94 2pkr n THR 208 Cb 0.48 -2.29 0.00 0.00 -1.55 0.00 0.00 70.33 66.97 2pkr n THR 208 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2pkr n GLY 209 N 1.96 0.00 0.00 1.09 0.00 -1.26 -3.48 105.19 103.50 2pkr n GLY 209 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2pkr n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pkr n ALA 210 N 0.08 1.94 -0.21 4.61 0.00 -1.26 -4.25 120.51 121.42 2pkr n ALA 210 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2pkr n ALA 210 Cb 0.00 0.21 0.05 0.00 0.00 0.00 0.00 19.45 19.71 2pkr n ALA 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pkr h ALA 211 N 0.00 0.27 0.18 0.00 0.00 -1.93 0.24 119.26 118.02 2pkr h ALA 211 Ca 0.00 0.22 -0.34 0.00 0.00 0.00 0.00 54.91 54.80 2pkr h ALA 211 Cb 0.44 0.59 0.01 0.00 0.00 0.00 0.00 17.79 18.83 2pkr h ALA 211 CO 0.00 -0.51 -1.67 1.57 0.00 0.00 0.00 179.25 178.65 2pkr h LYS 212 N -0.06 0.39 -0.96 0.00 2.10 -1.84 -3.36 116.57 112.84 2pkr h LYS 212 Ca 0.29 -0.66 0.24 0.00 -2.00 0.00 0.00 60.65 58.51 2pkr h LYS 212 Cb 0.51 0.25 -0.07 0.00 -0.90 0.00 0.00 32.23 32.02 2pkr h LYS 212 CO -0.68 1.32 0.64 0.00 -2.00 0.00 0.00 179.45 178.73 2pkr h ALA 213 N 0.09 2.33 -0.51 0.07 0.00 -1.59 0.28 119.26 119.93 2pkr h ALA 213 Ca -0.33 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2pkr h ALA 213 Cb 2.05 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.82 2pkr h ALA 213 CO 0.17 -0.66 0.20 0.28 0.00 0.00 0.00 179.25 179.24 2pkr h VAL 214 N 0.34 1.19 0.00 0.00 2.07 -0.72 -1.95 116.25 117.18 2pkr h VAL 214 Ca 0.51 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 2pkr h VAL 214 Cb 1.40 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2pkr h VAL 214 CO -0.19 0.24 -0.11 0.00 0.02 0.00 0.00 177.57 177.53 2pkr h ALA 215 N 1.49 1.11 -0.40 1.67 0.00 -0.62 0.21 119.26 122.71 2pkr h ALA 215 Ca 0.18 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2pkr h ALA 215 Cb 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2pkr h ALA 215 CO -0.02 0.13 -0.20 -0.07 0.00 0.00 0.00 179.25 179.09 2pkr h LEU 216 N 0.00 0.87 0.00 0.00 3.38 -1.11 -2.52 115.31 115.93 2pkr h LEU 216 Ca -0.00 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2pkr h LEU 216 Cb 0.45 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2pkr h LEU 216 CO 0.01 1.09 -0.87 1.33 0.09 0.00 0.00 178.44 180.09 2pkr n VAL 217 N -4.22 0.18 -3.45 1.22 0.24 -0.99 -4.43 118.33 106.87 2pkr n VAL 217 Ca -0.01 -0.20 -0.27 0.00 -2.04 0.00 0.00 64.34 61.81 2pkr n VAL 217 Cb 0.43 0.18 -0.10 0.00 -1.47 0.00 0.00 33.84 32.89 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 -1.91 0.22 -0.36 1.34 4.77 0.69 -4.58 117.00 117.17 2pkr n LEU 218 Ca 0.03 -4.56 0.36 0.00 -0.03 0.00 0.00 56.01 51.81 2pkr n LEU 218 Cb 0.42 0.32 0.74 0.00 -2.33 0.00 0.00 43.42 42.57 2pkr n LEU 218 CO 0.39 1.87 1.33 -0.65 -1.33 0.00 0.00 177.39 179.00 2pkr h PRO 219 N 5.39 0.03 0.00 3.23 0.11 -1.66 -0.77 132.00 138.33 2pkr h PRO 219 Ca 0.23 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 2pkr h PRO 219 Cb 0.88 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2pkr h PRO 219 CO 0.44 0.02 0.00 -0.97 -0.21 0.00 0.00 178.00 177.28 2pkr h ASN 220 N 0.03 0.00 -0.12 -2.05 -1.24 -1.94 -1.69 115.58 108.56 2pkr h ASN 220 Ca 0.61 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.62 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 -0.04 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.28 2pkr n LEU 221 N -2.96 1.96 -4.61 0.34 4.32 -0.30 -4.94 117.00 110.81 2pkr n LEU 221 Ca -0.01 -0.74 -0.48 0.00 -0.02 0.00 0.00 56.01 54.75 2pkr n LEU 221 Cb 0.17 -0.07 -0.04 0.00 -1.62 0.00 0.00 43.42 41.86 2pkr n LEU 221 CO 0.22 0.37 0.88 1.17 -1.22 0.00 0.00 177.39 178.81 2pkr n LYS 222 N 0.52 1.49 -0.87 3.23 0.00 -0.64 -1.43 118.16 120.45 2pkr n LYS 222 Ca 0.17 0.53 0.00 0.00 0.00 0.00 0.00 58.31 59.02 2pkr n LYS 222 Cb 0.40 -2.13 0.00 0.00 0.00 0.00 0.00 35.03 33.31 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 2.28 0.14 0.01 3.14 0.00 -1.26 -4.83 105.19 104.67 2pkr n GLY 223 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.54 0.37 -4.34 1.61 5.02 -0.52 -4.99 118.16 114.77 2pkr n LYS 224 Ca 0.00 -0.10 -0.19 0.00 -2.02 0.00 0.00 58.31 56.00 2pkr n LYS 224 Cb 0.27 -1.53 -0.10 0.00 -0.02 0.00 0.00 35.03 33.65 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 -3.91 2.54 0.17 -0.35 1.43 -1.26 -0.44 118.68 116.87 2pkr s LEU 225 Ca -0.01 -1.00 -0.24 0.00 -1.03 0.00 0.00 54.13 51.86 2pkr s LEU 225 Cb 0.15 -0.70 0.06 0.00 0.03 0.00 0.00 46.19 45.73 2pkr s LEU 225 CO 0.88 -0.15 0.78 0.21 0.23 0.00 0.00 176.35 178.30 2pkr s ASN 226 N -3.23 -0.33 -0.04 2.29 3.84 -1.17 -4.66 114.94 111.63 2pkr s ASN 226 Ca 0.22 -0.31 -0.16 0.00 0.21 0.00 0.00 52.86 52.82 2pkr s ASN 226 Cb -0.01 0.58 0.05 0.00 -0.55 0.00 0.00 41.25 41.32 2pkr s ASN 226 CO 0.07 -1.02 0.70 0.61 -2.79 0.00 0.00 177.10 174.67 2pkr n GLY 227 N -0.41 0.26 3.43 1.21 0.00 -1.26 -1.13 105.19 107.29 2pkr n GLY 227 Ca -0.08 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.02 0.00 0.03 -0.61 -5.25 -0.47 -4.51 121.20 108.38 2pkr s ILE 228 Ca 0.17 -1.71 0.05 0.00 -0.99 0.00 0.00 60.65 58.17 2pkr s ILE 228 Cb -0.00 -2.58 -0.02 0.00 2.95 0.00 0.00 42.46 42.81 2pkr s ILE 228 CO -0.01 0.00 -0.15 0.00 -1.79 0.00 0.00 174.94 172.99 2pkr s ALA 229 N -3.25 1.21 -0.30 2.27 0.00 -0.38 -2.23 121.76 119.08 2pkr s ALA 229 Ca 0.33 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.50 2pkr s ALA 229 Cb 0.01 -0.20 0.08 0.00 0.00 0.00 0.00 23.12 23.01 2pkr s ALA 229 CO 0.21 0.24 -0.01 -0.51 0.00 0.00 0.00 175.76 175.69 2pkr s LEU 230 N -1.06 3.93 0.08 0.00 1.43 0.15 -0.40 118.68 122.81 2pkr s LEU 230 Ca 0.02 -1.77 -0.30 0.00 -1.03 0.00 0.00 54.13 51.05 2pkr s LEU 230 Cb -0.08 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 2pkr s LEU 230 CO 0.01 -0.30 1.09 -0.13 0.23 0.00 0.00 176.35 177.24 2pkr s ARG 231 N 1.07 4.54 0.27 1.70 1.81 0.30 -1.05 118.95 127.58 2pkr s ARG 231 Ca 0.03 1.62 0.07 0.00 -1.72 0.00 0.00 55.73 55.73 2pkr s ARG 231 Cb -0.19 -3.36 -0.06 0.00 -0.45 0.00 0.00 34.95 30.89 2pkr s ARG 231 CO -0.08 -0.06 -0.08 0.14 -0.68 0.00 0.00 175.30 174.55 2pkr s VAL 232 N 0.57 1.72 0.00 3.52 -7.23 -0.25 0.12 120.40 118.85 2pkr s VAL 232 Ca 0.53 -2.15 -0.02 0.00 -1.81 0.00 0.00 61.98 58.53 2pkr s VAL 232 Cb -0.26 -2.41 -0.10 0.00 0.56 0.00 0.00 36.38 34.17 2pkr s VAL 232 CO 0.30 -0.33 1.72 -2.65 -0.31 0.00 0.00 175.10 173.84 2pkr n PRO 233 N -0.57 0.80 -4.92 4.82 -0.02 -1.26 -2.96 135.00 130.89 2pkr n PRO 233 Ca -0.06 -0.38 -0.27 0.00 -2.02 0.00 0.00 63.50 60.77 2pkr n PRO 233 Cb 0.63 -1.67 -0.15 0.00 -0.02 0.00 0.00 33.50 32.29 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 2.07 1.73 0.07 3.45 -4.23 -1.26 -5.00 115.64 112.46 2pkr s THR 234 Ca 0.26 -1.05 0.25 0.00 -1.18 0.00 0.00 61.69 59.96 2pkr s THR 234 Cb 0.12 -1.46 0.26 0.00 1.34 0.00 0.00 72.50 72.75 2pkr s THR 234 CO 0.00 0.38 1.81 1.55 -0.54 0.00 0.00 174.62 177.82 2pkr h PRO 235 N 5.30 0.00 -1.73 3.99 0.13 -1.87 -1.05 132.00 136.76 2pkr h PRO 235 Ca -0.41 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.74 2pkr h PRO 235 Cb 1.14 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.05 2pkr h PRO 235 CO 0.46 0.19 0.39 1.21 -0.23 0.00 0.00 178.00 180.02 2pkr s ASN 236 N -6.13 -0.50 0.00 1.44 2.47 -1.26 -4.64 114.94 106.31 2pkr s ASN 236 Ca 0.01 0.68 0.00 0.00 0.42 0.00 0.00 52.86 53.98 2pkr s ASN 236 Cb 0.09 0.59 0.00 0.00 -1.45 0.00 0.00 41.25 40.49 2pkr s ASN 236 CO 0.63 -0.37 0.00 0.52 -3.72 0.00 0.00 177.10 174.16 2pkr n VAL 237 N 1.25 -0.31 -4.38 -5.21 0.31 -1.26 -4.87 118.33 103.86 2pkr n VAL 237 Ca -0.13 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.00 2pkr n VAL 237 Cb 0.57 -0.31 -0.06 0.00 -0.91 0.00 0.00 33.84 33.13 2pkr n VAL 237 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2pkr n SER 238 N -0.10 0.94 -3.72 4.52 7.64 0.08 -3.82 113.62 119.16 2pkr n SER 238 Ca 0.00 -2.75 -0.12 0.00 1.01 0.00 0.00 58.87 57.01 2pkr n SER 238 Cb 0.00 0.90 -0.10 0.00 -1.01 0.00 0.00 64.21 64.00 2pkr n SER 238 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2pkr s VAL 239 N -2.82 -0.01 -0.09 0.44 0.11 -0.34 -1.61 120.40 116.08 2pkr s VAL 239 Ca 0.19 0.03 -0.04 0.00 -2.93 0.00 0.00 61.98 59.23 2pkr s VAL 239 Cb 0.01 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 2pkr s VAL 239 CO 0.13 0.01 0.07 0.68 -3.33 0.00 0.00 175.10 172.67 2pkr s VAL 240 N 0.66 4.88 -0.28 2.04 -7.23 0.13 -1.08 120.40 119.53 2pkr s VAL 240 Ca -0.04 -0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.08 2pkr s VAL 240 Cb -0.05 -3.11 0.05 0.00 0.56 0.00 0.00 36.38 33.84 2pkr s VAL 240 CO -0.04 0.59 -0.05 -0.62 -0.31 0.00 0.00 175.10 174.67 2pkr s ASP 241 N -1.02 4.70 -0.12 4.85 2.15 0.72 -0.92 116.67 127.03 2pkr s ASP 241 Ca 0.15 -1.33 -0.00 0.00 0.43 0.00 0.00 52.55 51.80 2pkr s ASP 241 Cb -0.12 -1.64 -0.02 0.00 -0.30 0.00 0.00 42.92 40.84 2pkr s ASP 241 CO 0.04 -0.23 -0.10 -0.22 -0.17 0.00 0.00 175.17 174.49 2pkr s LEU 242 N 1.19 2.93 -0.09 -1.34 2.96 -0.11 -0.81 118.68 123.41 2pkr s LEU 242 Ca -0.07 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 2pkr s LEU 242 Cb -0.20 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 44.84 2pkr s LEU 242 CO -0.03 0.22 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.35 2pkr s VAL 243 N 0.02 1.67 -0.00 1.68 1.01 -0.44 -0.20 120.40 124.14 2pkr s VAL 243 Ca -0.02 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 2pkr s VAL 243 Cb -0.14 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 2pkr s VAL 243 CO 0.04 0.47 0.03 0.68 0.00 0.00 0.00 175.10 176.32 2pkr s VAL 244 N 0.59 0.05 -0.19 2.92 -7.23 -0.43 -0.31 120.40 115.80 2pkr s VAL 244 Ca -0.15 -0.43 -0.13 0.00 -1.81 0.00 0.00 61.98 59.46 2pkr s VAL 244 Cb -0.17 -0.19 -0.05 0.00 0.56 0.00 0.00 36.38 36.54 2pkr s VAL 244 CO 0.05 -0.24 0.28 -1.58 -0.31 0.00 0.00 175.10 173.30 2pkr s GLN 245 N -0.72 4.19 0.23 4.82 0.74 -0.07 -0.64 119.66 128.21 2pkr s GLN 245 Ca -0.08 0.03 0.08 0.00 0.05 0.00 0.00 55.36 55.44 2pkr s GLN 245 Cb -0.05 -3.48 -0.04 0.00 1.10 0.00 0.00 33.01 30.54 2pkr s GLN 245 CO -0.00 0.12 0.07 0.14 -0.55 0.00 0.00 175.29 175.07 2pkr s VAL 246 N 0.83 3.93 0.11 1.34 -7.23 -0.06 -0.88 120.40 118.43 2pkr s VAL 246 Ca 0.15 -1.54 0.07 0.00 -1.81 0.00 0.00 61.98 58.85 2pkr s VAL 246 Cb -0.13 -3.06 -0.19 0.00 0.56 0.00 0.00 36.38 33.55 2pkr s VAL 246 CO 0.05 -0.27 1.29 0.77 -0.31 0.00 0.00 175.10 176.63 2pkr h SER 247 N 2.05 0.00 -3.80 4.85 4.64 -0.39 -3.44 113.55 117.46 2pkr h SER 247 Ca -0.47 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.22 2pkr h SER 247 Cb 1.23 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.16 2pkr h SER 247 CO 0.60 0.97 -0.38 -0.75 -0.87 0.00 0.00 176.83 176.40 2pkr s LYS 248 N -2.73 3.99 0.46 4.77 2.20 -0.86 -5.05 119.74 122.51 2pkr s LYS 248 Ca 0.01 -0.14 -0.23 0.00 -0.36 0.00 0.00 55.97 55.25 2pkr s LYS 248 Cb 0.10 -3.65 -0.09 0.00 -1.51 0.00 0.00 37.83 32.67 2pkr s LYS 248 CO 0.82 -0.22 1.06 1.63 -0.36 0.00 0.00 175.35 178.28 2pkr n LYS 249 N 5.15 1.40 -2.47 4.03 5.02 -1.26 -4.87 118.16 125.17 2pkr n LYS 249 Ca -0.11 0.51 -0.05 0.00 -2.02 0.00 0.00 58.31 56.64 2pkr n LYS 249 Cb 0.51 -2.15 0.01 0.00 -0.02 0.00 0.00 35.03 33.39 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 -0.66 0.00 -3.97 -0.18 5.66 0.01 -5.03 114.28 110.10 2pkr n THR 250 Ca 0.10 -0.54 -0.08 0.00 -3.05 0.00 0.00 64.05 60.47 2pkr n THR 250 Cb 0.41 0.52 -0.09 0.00 -1.55 0.00 0.00 70.33 69.62 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 -5.35 0.32 0.18 1.09 -0.71 -1.26 -4.60 117.98 107.65 2pkr s PHE 251 Ca 0.09 -0.79 -0.23 0.00 -1.04 0.00 0.00 56.93 54.96 2pkr s PHE 251 Cb -0.02 -0.22 0.08 0.00 -1.21 0.00 0.00 43.02 41.64 2pkr s PHE 251 CO 0.06 -0.44 1.58 0.00 -1.34 0.00 0.00 175.22 175.09 2pkr h ALA 252 N 3.09 -0.18 -0.82 1.99 0.00 -1.89 -1.73 119.26 119.72 2pkr h ALA 252 Ca -0.34 0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.77 2pkr h ALA 252 Cb 1.17 0.83 -0.05 0.00 0.00 0.00 0.00 17.79 19.74 2pkr h ALA 252 CO 0.60 -0.74 0.53 0.93 0.00 0.00 0.00 179.25 180.57 2pkr h GLU 253 N -0.21 0.87 -0.42 0.00 3.07 -1.96 0.12 114.58 116.05 2pkr h GLU 253 Ca 0.20 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 58.88 2pkr h GLU 253 Cb 0.56 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 2pkr h GLU 253 CO -0.65 0.58 -0.26 1.49 -1.40 0.00 0.00 179.01 178.76 2pkr h GLU 254 N 0.90 0.88 -0.03 2.33 4.81 -1.78 -0.08 114.58 121.60 2pkr h GLU 254 Ca 0.35 -0.39 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2pkr h GLU 254 Cb 0.23 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 2pkr h GLU 254 CO -0.13 1.03 0.01 0.28 -0.73 0.00 0.00 179.01 179.48 2pkr h VAL 255 N 0.75 1.16 -0.76 0.32 2.07 -0.39 -1.14 116.25 118.25 2pkr h VAL 255 Ca 0.09 -0.46 0.09 0.00 0.82 0.00 0.00 66.70 67.23 2pkr h VAL 255 Cb 0.81 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.92 2pkr h VAL 255 CO 0.07 0.13 0.42 0.78 0.02 0.00 0.00 177.57 178.98 2pkr h ASN 256 N -0.13 0.59 -0.79 0.57 -0.26 -0.90 -1.60 115.58 113.05 2pkr h ASN 256 Ca 0.01 0.05 0.03 0.00 -0.56 0.00 0.00 56.30 55.82 2pkr h ASN 256 Cb 0.19 -0.06 -0.05 0.00 -1.06 0.00 0.00 38.32 37.34 2pkr h ASN 256 CO -0.00 0.35 0.51 0.00 -1.06 0.00 0.00 177.43 177.22 2pkr h ALA 257 N 1.42 1.03 -0.76 -0.83 0.00 -0.68 -0.49 119.26 118.96 2pkr h ALA 257 Ca 0.36 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.26 2pkr h ALA 257 Cb 0.32 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2pkr h ALA 257 CO -0.24 0.34 0.50 0.00 0.00 0.00 0.00 179.25 179.85 2pkr h ALA 258 N 1.32 1.52 -0.25 0.00 0.00 -0.26 -1.54 119.26 120.05 2pkr h ALA 258 Ca 0.31 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.02 2pkr h ALA 258 Cb -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2pkr h ALA 258 CO -0.10 0.41 -0.47 0.74 0.00 0.00 0.00 179.25 179.83 2pkr h PHE 259 N 0.96 0.94 -0.92 0.00 0.04 -0.57 -2.88 116.94 114.51 2pkr h PHE 259 Ca 0.30 -0.34 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 2pkr h PHE 259 Cb 0.00 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 37.93 2pkr h PHE 259 CO -0.00 1.13 0.56 0.00 -0.60 0.00 0.00 178.31 179.40 2pkr h ARG 260 N 0.49 1.25 0.22 1.51 3.08 -0.51 0.11 114.38 120.53 2pkr h ARG 260 Ca 0.01 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 59.96 2pkr h ARG 260 Cb 1.07 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 2pkr h ARG 260 CO 0.10 0.87 -0.27 1.49 -1.07 0.00 0.00 179.97 181.10 2pkr h GLU 261 N 1.27 -0.52 -0.71 0.04 4.22 -1.28 -0.55 114.58 117.05 2pkr h GLU 261 Ca 0.33 0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.78 2pkr h GLU 261 Cb -0.06 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2pkr h GLU 261 CO -0.06 -0.35 0.35 0.77 -2.18 0.00 0.00 179.01 177.54 2pkr h SER 262 N -0.54 0.90 -0.62 1.04 0.02 -1.28 -2.20 113.55 110.87 2pkr h SER 262 Ca 0.00 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 2pkr h SER 262 Cb 0.52 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 2pkr h SER 262 CO -0.09 0.75 0.31 0.00 -1.14 0.00 0.00 176.83 176.66 2pkr h ALA 263 N 1.39 1.34 -0.00 3.77 0.00 -0.27 0.16 119.26 125.64 2pkr h ALA 263 Ca 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2pkr h ALA 263 Cb 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2pkr h ALA 263 CO -0.03 0.52 -0.17 -0.25 0.00 0.00 0.00 179.25 179.31 2pkr n ASP 264 N -4.35 0.61 0.00 0.00 8.00 -0.26 -2.90 116.55 117.64 2pkr n ASP 264 Ca 0.06 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 54.97 2pkr n ASP 264 Cb 0.13 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 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 -0.93 0.00 0.25 -2.24 3.02 -0.75 -4.84 115.26 109.77 2pkr n ASN 265 Ca 0.13 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.86 2pkr n ASN 265 Cb 0.30 0.00 0.89 0.00 -0.61 0.00 0.00 39.78 40.37 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 -0.25 3.52 9.09 -1.79 -2.22 114.58 122.93 2pkr h GLU 266 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.32 2pkr h GLU 266 Cb 0.00 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.04 2pkr h GLU 266 CO 0.00 0.00 -0.08 1.28 0.05 0.00 0.00 179.01 180.26 2pkr n LEU 267 N -3.57 3.72 -4.74 3.06 4.77 0.48 -5.00 117.00 115.73 2pkr n LEU 267 Ca 0.00 -3.50 -0.42 0.00 -0.03 0.00 0.00 56.01 52.07 2pkr n LEU 267 Cb 0.29 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 40.77 2pkr n LEU 267 CO 0.24 1.04 1.15 -0.75 -1.33 0.00 0.00 177.39 177.74 2pkr s LYS 268 N -3.09 4.24 0.00 3.23 2.20 -0.84 -0.92 119.74 124.57 2pkr s LYS 268 Ca 0.42 2.34 0.00 0.00 -0.36 0.00 0.00 55.97 58.37 2pkr s LYS 268 Cb 0.37 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.58 2pkr s LYS 268 CO 0.02 -0.49 0.00 0.41 -0.36 0.00 0.00 175.35 174.93 2pkr n GLY 269 N 2.59 2.01 0.42 5.54 0.00 -1.26 -4.76 105.19 109.73 2pkr n GLY 269 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 0.28 -4.88 -0.61 2.08 -0.74 -4.24 119.36 109.25 2pkr n ILE 270 Ca 0.00 -0.09 -0.30 0.00 0.56 0.00 0.00 62.75 62.92 2pkr n ILE 270 Cb 0.00 -1.11 -0.14 0.00 -0.75 0.00 0.00 39.64 37.64 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 -5.77 2.24 0.06 1.39 1.98 -0.09 -0.50 118.68 117.98 2pkr s LEU 271 Ca -0.07 -0.56 -0.00 0.00 -2.89 0.00 0.00 54.13 50.61 2pkr s LEU 271 Cb 0.02 -1.33 -0.04 0.00 0.66 0.00 0.00 46.19 45.51 2pkr s LEU 271 CO 0.10 0.26 -0.04 -0.55 -1.89 0.00 0.00 176.35 174.24 2pkr s SER 272 N -1.24 0.60 -0.10 3.68 0.15 -0.34 -4.65 113.70 111.79 2pkr s SER 272 Ca 0.12 -0.95 0.02 0.00 0.70 0.00 0.00 55.95 55.84 2pkr s SER 272 Cb -0.10 0.17 0.01 0.00 -1.71 0.00 0.00 66.02 64.39 2pkr s SER 272 CO 0.02 -0.54 -0.15 -0.69 1.20 0.00 0.00 173.24 173.09 2pkr s VAL 273 N -3.61 1.44 -0.18 4.45 1.01 -1.26 -0.76 120.40 121.49 2pkr s VAL 273 Ca 0.06 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 2pkr s VAL 273 Cb 0.06 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 2pkr s VAL 273 CO -0.08 0.43 -0.10 0.00 0.00 0.00 0.00 175.10 175.35 2pkr n ASP 275 N 4.32 3.33 -4.86 0.00 8.00 -1.26 -2.42 116.55 123.67 2pkr n ASP 275 Ca -0.19 -1.97 -0.35 0.00 0.71 0.00 0.00 54.79 52.99 2pkr n ASP 275 Cb 0.51 -0.25 -0.06 0.00 -0.02 0.00 0.00 41.12 41.30 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 -1.49 3.82 -1.27 -1.24 2.02 -1.26 -4.87 118.70 114.41 2pkr s GLU 276 Ca 0.39 0.26 -0.19 0.00 0.02 0.00 0.00 54.97 55.45 2pkr s GLU 276 Cb 0.22 -2.97 0.02 0.00 0.10 0.00 0.00 34.13 31.50 2pkr s GLU 276 CO 0.31 0.53 1.87 -0.35 0.02 0.00 0.00 175.26 177.64 2pkr n PRO 277 N 0.86 2.71 -3.26 0.39 -0.04 -1.26 -4.93 135.00 129.46 2pkr n PRO 277 Ca -0.07 -2.92 -0.20 0.00 -0.04 0.00 0.00 63.50 60.27 2pkr n PRO 277 Cb 0.52 -3.48 0.02 0.00 -0.04 0.00 0.00 33.50 30.52 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 5.19 3.26 0.24 1.53 1.43 -1.26 -5.14 118.68 123.93 2pkr s LEU 278 Ca 0.56 -0.77 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 2pkr s LEU 278 Cb 0.05 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 2pkr s LEU 278 CO 0.07 -1.00 0.01 0.68 0.23 0.00 0.00 176.35 176.34 2pkr s VAL 279 N -2.55 0.97 0.30 -1.59 -7.23 -1.26 -5.05 120.40 103.98 2pkr s VAL 279 Ca 0.53 -2.02 -0.01 0.00 -1.81 0.00 0.00 61.98 58.66 2pkr s VAL 279 Cb -0.06 -2.39 0.42 0.00 0.56 0.00 0.00 36.38 34.91 2pkr s VAL 279 CO 0.32 -0.28 1.57 0.77 -0.31 0.00 0.00 175.10 177.17 2pkr h SER 280 N 2.45 -0.61 -0.51 4.85 4.64 -1.97 -0.75 113.55 121.65 2pkr h SER 280 Ca -0.38 0.28 0.13 0.00 -0.47 0.00 0.00 61.79 61.35 2pkr h SER 280 Cb 1.23 0.52 -0.02 0.00 -0.31 0.00 0.00 62.40 63.81 2pkr h SER 280 CO 0.64 -0.34 0.36 -0.29 -0.87 0.00 0.00 176.83 176.33 2pkr h ILE 281 N 0.01 0.79 0.00 0.95 6.09 -1.97 -0.98 117.51 122.41 2pkr h ILE 281 Ca 0.56 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 64.01 2pkr h ILE 281 Cb 1.07 0.67 0.00 0.00 0.47 0.00 0.00 36.82 39.03 2pkr h ILE 281 CO -0.95 0.02 0.00 0.47 -3.07 0.00 0.00 178.15 174.62 2pkr n ASP 282 N -4.42 0.64 -1.23 2.19 8.00 -0.29 -2.47 116.55 118.97 2pkr n ASP 282 Ca 0.09 0.67 0.12 0.00 0.71 0.00 0.00 54.79 56.37 2pkr n ASP 282 Cb 0.51 -0.80 0.26 0.00 -0.02 0.00 0.00 41.12 41.07 2pkr n ASP 282 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2pkr n PHE 283 N -2.21 0.69 -1.97 1.24 3.72 -0.37 -4.95 117.46 113.61 2pkr n PHE 283 Ca 0.02 -0.36 -0.41 0.00 -0.05 0.00 0.00 57.45 56.66 2pkr n PHE 283 Cb 0.21 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.74 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 -1.27 4.18 -1.45 -1.08 0.52 -1.03 -3.07 118.95 115.76 2pkr s ARG 284 Ca 0.43 2.36 -0.05 0.00 -0.52 0.00 0.00 55.73 57.94 2pkr s ARG 284 Cb 0.24 -2.97 0.01 0.00 0.52 0.00 0.00 34.95 32.74 2pkr s ARG 284 CO 0.32 -0.39 0.62 0.00 0.02 0.00 0.00 175.30 175.87 2pkr s THR 286 N -3.16 5.09 -0.37 0.00 -4.23 -1.17 -4.98 115.64 106.82 2pkr s THR 286 Ca 0.31 0.83 0.25 0.00 -1.18 0.00 0.00 61.69 61.90 2pkr s THR 286 Cb -0.14 -3.73 0.34 0.00 1.34 0.00 0.00 72.50 70.32 2pkr s THR 286 CO 0.38 0.50 1.68 0.44 -0.54 0.00 0.00 174.62 177.09 2pkr h ASP 287 N 5.35 0.00 -4.06 3.99 3.32 -1.93 -3.33 116.42 119.77 2pkr h ASP 287 Ca -0.48 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.09 2pkr h ASP 287 Cb 1.20 0.00 0.15 0.00 0.22 0.00 0.00 39.33 40.90 2pkr h ASP 287 CO 0.66 0.00 0.24 0.68 -1.72 0.00 0.00 179.24 179.10 2pkr s VAL 288 N -3.28 2.63 -0.05 -1.35 -7.23 -1.26 -4.80 120.40 105.07 2pkr s VAL 288 Ca 0.06 0.21 0.13 0.00 -1.81 0.00 0.00 61.98 60.57 2pkr s VAL 288 Cb 0.06 -2.67 -0.17 0.00 0.56 0.00 0.00 36.38 34.16 2pkr s VAL 288 CO 0.64 -0.27 0.90 0.28 -0.31 0.00 0.00 175.10 176.34 2pkr h SER 289 N -1.58 0.00 -3.53 4.85 0.02 -1.01 -3.42 113.55 108.87 2pkr h SER 289 Ca -0.50 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.34 2pkr h SER 289 Cb 1.28 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.57 2pkr h SER 289 CO 0.54 0.82 -0.26 -0.55 -1.14 0.00 0.00 176.83 176.25 2pkr s SER 290 N -6.14 -0.49 -0.22 3.07 0.15 -0.90 -4.18 113.70 105.00 2pkr s SER 290 Ca -0.02 0.88 0.00 0.00 0.70 0.00 0.00 55.95 57.51 2pkr s SER 290 Cb 0.08 0.83 0.06 0.00 -1.71 0.00 0.00 66.02 65.28 2pkr s SER 290 CO 0.81 -0.17 -0.04 -0.89 1.20 0.00 0.00 173.24 174.15 2pkr s THR 291 N 0.85 1.33 0.29 6.45 2.01 -0.11 -1.19 115.64 125.26 2pkr s THR 291 Ca -0.05 -1.04 -0.29 0.00 0.31 0.00 0.00 61.69 60.62 2pkr s THR 291 Cb -0.06 -1.61 -0.10 0.00 0.01 0.00 0.00 72.50 70.74 2pkr s THR 291 CO -0.07 -0.07 1.28 -0.63 -0.69 0.00 0.00 174.62 174.44 2pkr s ILE 292 N 1.49 2.94 -0.84 1.82 -1.09 0.06 0.26 121.20 125.85 2pkr s ILE 292 Ca -0.04 0.89 -0.11 0.00 -2.23 0.00 0.00 60.65 59.16 2pkr s ILE 292 Cb -0.18 -3.57 0.22 0.00 -1.58 0.00 0.00 42.46 37.35 2pkr s ILE 292 CO -0.07 0.19 0.76 -0.62 -1.23 0.00 0.00 174.94 173.98 2pkr s ASP 293 N -0.31 6.58 0.22 3.58 -1.08 -0.25 -0.15 116.67 125.26 2pkr s ASP 293 Ca 0.51 -2.87 -0.15 0.00 -0.52 0.00 0.00 52.55 49.51 2pkr s ASP 293 Cb -0.38 -2.15 0.25 0.00 -1.46 0.00 0.00 42.92 39.19 2pkr s ASP 293 CO 0.47 -0.49 1.58 0.77 0.52 0.00 0.00 175.17 178.02 2pkr h SER 294 N 7.46 -1.01 0.16 -0.34 4.64 -1.77 -1.00 113.55 121.69 2pkr h SER 294 Ca 0.10 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2pkr h SER 294 Cb 1.00 0.57 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 2pkr h SER 294 CO 0.78 -0.28 0.00 -1.54 -0.87 0.00 0.00 176.83 174.92 2pkr n SER 295 N -5.49 0.51 0.00 4.97 3.41 -1.26 -1.78 113.62 113.99 2pkr n SER 295 Ca 0.09 0.71 0.12 0.00 -0.26 0.00 0.00 58.87 59.52 2pkr n SER 295 Cb 0.39 -0.79 0.16 0.00 -0.26 0.00 0.00 64.21 63.71 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 -2.15 0.61 -4.75 1.04 4.77 -0.38 -4.93 117.00 111.21 2pkr n LEU 296 Ca -0.00 -0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.48 2pkr n LEU 296 Cb 0.07 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 2pkr n LEU 296 CO 0.11 0.13 1.16 -0.89 -1.33 0.00 0.00 177.39 176.57 2pkr s THR 297 N -3.02 2.35 0.03 -5.08 2.01 -0.73 -4.76 115.64 106.43 2pkr s THR 297 Ca 0.10 0.30 -0.01 0.00 0.31 0.00 0.00 61.69 62.39 2pkr s THR 297 Cb 0.17 -3.19 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 2pkr s THR 297 CO 0.74 0.05 -0.01 -0.04 -0.69 0.00 0.00 174.62 174.68 2pkr s MET 298 N -0.69 0.43 -0.08 4.92 -1.94 -0.85 -4.87 119.30 116.21 2pkr s MET 298 Ca 0.60 -0.77 -0.00 0.00 -1.71 0.00 0.00 55.69 53.80 2pkr s MET 298 Cb -0.45 0.15 0.02 0.00 2.01 0.00 0.00 34.83 36.57 2pkr s MET 298 CO 0.48 -0.08 -0.04 0.08 -0.01 0.00 0.00 175.02 175.45 2pkr s VAL 299 N -2.21 0.68 -0.09 -6.03 1.01 -1.26 -0.46 120.40 112.05 2pkr s VAL 299 Ca -0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 61.79 2pkr s VAL 299 Cb -0.04 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 2pkr s VAL 299 CO -0.04 0.30 -0.05 -0.04 0.00 0.00 0.00 175.10 175.27 2pkr s MET 300 N 1.61 2.96 -1.62 2.72 -1.94 0.35 -4.58 119.30 118.81 2pkr s MET 300 Ca 0.01 -0.52 0.00 0.00 -1.71 0.00 0.00 55.69 53.47 2pkr s MET 300 Cb -0.13 -2.68 0.00 0.00 2.01 0.00 0.00 34.83 34.03 2pkr s MET 300 CO -0.05 0.59 0.00 0.41 -0.01 0.00 0.00 175.02 175.96 2pkr n GLY 301 N 2.47 -0.09 4.57 -0.03 0.00 -1.26 -1.24 105.19 109.61 2pkr n GLY 301 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.78 0.00 0.00 1.61 8.00 -1.26 -4.48 116.55 118.64 2pkr n ASP 302 Ca -0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.29 2pkr n ASP 302 Cb 0.65 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 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 0.14 0.94 -4.22 -2.24 5.68 -1.16 -0.81 116.55 114.86 2pkr n ASP 303 Ca 0.00 -1.37 -0.40 0.00 -0.50 0.00 0.00 54.79 52.52 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 -0.37 2.49 -0.21 0.11 1.75 -0.37 -0.89 119.30 121.81 2pkr s MET 304 Ca 0.00 -1.67 -0.15 0.00 -1.25 0.00 0.00 55.69 52.62 2pkr s MET 304 Cb 0.00 -3.86 -0.04 0.00 2.84 0.00 0.00 34.83 33.77 2pkr s MET 304 CO 0.00 -1.11 0.36 0.08 -0.65 0.00 0.00 175.02 173.71 2pkr s VAL 305 N 1.37 5.22 -0.19 10.11 1.01 0.19 -0.49 120.40 137.61 2pkr s VAL 305 Ca 0.05 0.63 -0.04 0.00 0.00 0.00 0.00 61.98 62.62 2pkr s VAL 305 Cb -0.25 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 2pkr s VAL 305 CO -0.00 0.26 -0.03 -0.75 0.00 0.00 0.00 175.10 174.58 2pkr s LYS 306 N 1.34 3.54 -0.06 2.72 2.20 0.40 -1.31 119.74 128.56 2pkr s LYS 306 Ca 0.17 -0.57 0.05 0.00 -0.36 0.00 0.00 55.97 55.26 2pkr s LYS 306 Cb -0.15 -2.99 -0.00 0.00 -1.51 0.00 0.00 37.83 33.18 2pkr s LYS 306 CO 0.08 0.01 -0.21 0.08 -0.36 0.00 0.00 175.35 174.95 2pkr s VAL 307 N 0.97 1.77 -0.23 4.02 1.01 0.72 -2.01 120.40 126.64 2pkr s VAL 307 Ca 0.00 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 2pkr s VAL 307 Cb -0.15 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 2pkr s VAL 307 CO 0.01 0.50 -0.01 -0.63 0.00 0.00 0.00 175.10 174.97 2pkr s ILE 308 N 0.07 3.62 -0.02 2.22 -1.09 -1.26 -0.93 121.20 123.80 2pkr s ILE 308 Ca -0.07 -0.45 0.05 0.00 -2.23 0.00 0.00 60.65 57.94 2pkr s ILE 308 Cb -0.14 -2.68 -0.01 0.00 -1.58 0.00 0.00 42.46 38.05 2pkr s ILE 308 CO 0.04 0.37 -0.16 0.00 -1.23 0.00 0.00 174.94 173.96 2pkr s ALA 309 N 1.51 1.39 0.08 9.38 0.00 -0.10 -1.09 121.76 132.92 2pkr s ALA 309 Ca 0.05 -0.68 -0.07 0.00 0.00 0.00 0.00 51.96 51.26 2pkr s ALA 309 Cb -0.15 -0.39 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 2pkr s ALA 309 CO -0.01 0.31 0.35 -1.58 0.00 0.00 0.00 175.76 174.82 2pkr s TRP 310 N -0.24 3.55 -0.13 0.00 0.52 0.14 -0.69 118.94 122.09 2pkr s TRP 310 Ca 0.03 0.64 -0.14 0.00 0.02 0.00 0.00 56.10 56.65 2pkr s TRP 310 Cb -0.08 -2.05 0.04 0.00 -1.15 0.00 0.00 33.47 30.23 2pkr s TRP 310 CO 0.00 0.52 0.39 1.52 0.02 0.00 0.00 176.95 179.40 2pkr s TYR 311 N -1.45 -0.41 -0.64 -1.98 1.13 -0.63 -0.93 117.35 112.44 2pkr s TYR 311 Ca 0.34 0.96 -0.22 0.00 -1.41 0.00 0.00 57.07 56.74 2pkr s TYR 311 Cb -0.13 0.15 0.07 0.00 -1.10 0.00 0.00 41.96 40.94 2pkr s TYR 311 CO 0.20 -0.24 0.94 0.34 -2.51 0.00 0.00 175.55 174.28 2pkr s ASP 312 N 0.01 6.19 0.61 -0.18 -1.08 -1.26 -0.74 116.67 120.22 2pkr s ASP 312 Ca -0.02 -0.92 0.34 0.00 -0.52 0.00 0.00 52.55 51.43 2pkr s ASP 312 Cb -0.03 -2.41 2.00 0.00 -1.46 0.00 0.00 42.92 41.02 2pkr s ASP 312 CO 0.01 -1.39 2.28 -0.55 0.52 0.00 0.00 175.17 176.05 2pkr h ASN 313 N 9.50 0.00 0.00 -0.34 -1.07 -1.92 -1.15 115.58 120.60 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 1.07 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.32 2pkr h ASN 313 CO 1.16 0.00 -0.26 -0.62 0.07 0.00 0.00 177.43 177.78 2pkr n GLU 314 N -3.62 0.22 0.00 4.14 1.02 -1.26 -4.15 120.64 116.99 2pkr n GLU 314 Ca -0.03 0.36 -0.13 0.00 -0.02 0.00 0.00 57.16 57.34 2pkr n GLU 314 Cb 0.09 -1.17 -0.09 0.00 -0.02 0.00 0.00 31.44 30.25 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 -0.47 -0.01 -0.88 -0.32 2.91 -1.92 -1.51 115.95 113.75 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 0.26 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 28.86 2pkr h TRP 315 CO -0.11 0.35 0.57 0.78 -1.03 0.00 0.00 178.44 179.00 2pkr h GLY 316 N -0.37 1.26 1.05 2.65 0.00 -1.32 -0.59 103.07 105.76 2pkr h GLY 316 Ca -0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 2pkr h GLY 316 CO 0.00 0.40 0.01 -1.82 0.00 0.00 0.00 176.54 175.12 2pkr h TYR 317 N 1.13 1.08 -0.44 5.60 3.20 -1.54 -2.69 116.97 123.32 2pkr h TYR 317 Ca 0.34 -0.19 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 2pkr h TYR 317 Cb -0.04 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 37.92 2pkr h TYR 317 CO -0.02 0.97 0.09 0.77 -1.64 0.00 0.00 178.16 178.34 2pkr h SER 318 N 0.88 0.61 -0.36 -2.11 0.02 -0.74 -0.52 113.55 111.34 2pkr h SER 318 Ca 0.16 -0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 2pkr h SER 318 Cb 0.54 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 2pkr h SER 318 CO 0.03 0.62 0.01 1.56 -1.14 0.00 0.00 176.83 177.90 2pkr h GLN 319 N 0.64 0.72 -0.05 3.45 1.08 -0.87 -1.34 115.11 118.74 2pkr h GLN 319 Ca 0.14 -0.18 -0.10 0.00 -1.45 0.00 0.00 58.65 57.06 2pkr h GLN 319 Cb 0.26 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 2pkr h GLN 319 CO -0.00 0.73 -0.44 0.00 -0.95 0.00 0.00 178.83 178.16 2pkr h ARG 320 N 0.68 0.12 -0.51 1.46 2.47 -0.86 -0.54 114.38 117.19 2pkr h ARG 320 Ca 0.14 -0.06 -0.13 0.00 -1.26 0.00 0.00 59.98 58.67 2pkr h ARG 320 Cb 0.41 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 2pkr h ARG 320 CO 0.02 0.54 -0.17 0.28 0.56 0.00 0.00 179.97 181.20 2pkr h VAL 321 N 0.10 1.27 -0.40 2.04 2.07 -0.52 -0.04 116.25 120.77 2pkr h VAL 321 Ca 0.01 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 2pkr h VAL 321 Cb 0.83 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 2pkr h VAL 321 CO 0.06 0.47 0.21 0.58 0.02 0.00 0.00 177.57 178.91 2pkr h VAL 322 N 0.89 1.16 -0.70 2.57 2.07 -0.88 -1.09 116.25 120.27 2pkr h VAL 322 Ca 0.12 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.25 2pkr h VAL 322 Cb 0.75 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 2pkr h VAL 322 CO 0.06 0.16 0.44 0.44 0.02 0.00 0.00 177.57 178.70 2pkr h ASP 323 N 0.51 0.74 -0.24 0.57 3.32 -0.73 0.20 116.42 120.78 2pkr h ASP 323 Ca 0.14 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 2pkr h ASP 323 Cb 0.07 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2pkr h ASP 323 CO -0.02 0.51 -0.20 0.25 -1.72 0.00 0.00 179.24 178.06 2pkr h LEU 324 N 0.87 0.69 -0.60 1.55 5.85 -0.86 -1.71 115.31 121.11 2pkr h LEU 324 Ca 0.28 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 2pkr h LEU 324 Cb -0.00 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2pkr h LEU 324 CO -0.10 0.89 0.04 0.00 -0.34 0.00 0.00 178.44 178.93 2pkr h ALA 325 N 1.17 0.80 -0.47 1.25 0.00 -0.33 -1.40 119.26 120.27 2pkr h ALA 325 Ca 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2pkr h ALA 325 Cb 0.67 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2pkr h ALA 325 CO 0.05 0.61 0.19 -0.44 0.00 0.00 0.00 179.25 179.66 2pkr h ASP 326 N 0.93 0.61 -0.52 0.00 3.32 -0.23 -1.91 116.42 118.63 2pkr h ASP 326 Ca 0.18 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 2pkr h ASP 326 Cb 0.51 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2pkr h ASP 326 CO 0.02 0.55 -0.11 0.40 -1.72 0.00 0.00 179.24 178.38 2pkr h ILE 327 N 0.67 1.27 -0.39 0.35 2.04 -0.77 0.05 117.51 120.72 2pkr h ILE 327 Ca 0.16 -1.26 0.02 0.00 1.00 0.00 0.00 64.86 64.78 2pkr h ILE 327 Cb 0.13 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 2pkr h ILE 327 CO -0.02 0.45 0.21 0.58 0.00 0.00 0.00 178.15 179.37 2pkr h VAL 328 N 0.90 1.01 -0.36 1.67 2.07 -0.62 -1.38 116.25 119.55 2pkr h VAL 328 Ca 0.14 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2pkr h VAL 328 Cb 0.67 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2pkr h VAL 328 CO 0.05 0.08 0.17 0.00 0.02 0.00 0.00 177.57 177.89 2pkr h ALA 329 N 1.19 0.46 0.00 1.67 0.00 -1.06 -2.47 119.26 119.05 2pkr h ALA 329 Ca 0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2pkr h ALA 329 Cb 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2pkr h ALA 329 CO -0.09 0.03 -0.13 -0.91 0.00 0.00 0.00 179.25 178.14 2pkr h ASN 330 N 0.44 0.00 -0.52 0.00 -0.26 -0.58 -2.47 115.58 112.20 2pkr h ASN 330 Ca 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 2pkr h ASN 330 Cb 0.13 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 2pkr h ASN 330 CO -0.01 0.13 0.00 0.29 -1.06 0.00 0.00 177.43 176.77 2pkr n LYS 331 N -4.12 3.41 -2.19 0.81 4.76 -0.56 -4.99 118.16 115.28 2pkr n LYS 331 Ca -0.02 -2.71 -0.42 0.00 -2.87 0.00 0.00 58.31 52.29 2pkr n LYS 331 Cb 0.21 -1.75 -0.03 0.00 -1.84 0.00 0.00 35.03 31.61 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 -1.85 3.25 -0.26 2.13 -0.11 -0.93 -4.51 118.94 116.66 2pkr s TRP 332 Ca 0.44 1.08 0.02 0.00 1.22 0.00 0.00 56.10 58.86 2pkr s TRP 332 Cb 0.29 -3.64 0.37 0.00 -1.50 0.00 0.00 33.47 28.99 2pkr s TRP 332 CO 0.20 -2.14 1.55 0.00 -4.62 0.00 0.00 176.95 171.95 2pkr n GLN 333 N 3.32 1.73 0.00 5.86 10.64 -1.26 -5.09 117.38 132.58 2pkr n GLN 333 Ca 0.09 -1.72 0.13 0.00 -1.83 0.00 0.00 57.00 53.67 2pkr n GLN 333 Cb 0.43 -1.67 0.32 0.00 -0.86 0.00 0.00 30.24 28.45 2pkr n GLN 333 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64