#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 4.33 -0.45 3.14 2.96 0.12 -4.75 118.68 124.03 2pkr s LEU 1 Ca 0.00 2.25 -0.28 0.00 -0.22 0.00 0.00 54.13 55.88 2pkr s LEU 1 Cb 0.00 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 43.14 2pkr s LEU 1 CO 0.00 -0.84 1.61 -0.75 -1.32 0.00 0.00 176.35 175.05 2pkr s LYS 2 N 3.08 3.28 -0.09 1.98 2.20 -1.26 -0.69 119.74 128.25 2pkr s LYS 2 Ca 0.70 0.94 -0.02 0.00 -0.36 0.00 0.00 55.97 57.23 2pkr s LYS 2 Cb -0.34 -4.16 -0.03 0.00 -1.51 0.00 0.00 37.83 31.79 2pkr s LYS 2 CO 0.29 -1.93 -0.01 0.08 -0.36 0.00 0.00 175.35 173.42 2pkr s VAL 3 N 6.63 4.23 -0.08 4.02 1.01 0.14 -1.21 120.40 135.13 2pkr s VAL 3 Ca 0.66 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.42 2pkr s VAL 3 Cb -0.16 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 2pkr s VAL 3 CO 0.29 0.59 -0.24 0.00 0.00 0.00 0.00 175.10 175.75 2pkr s ALA 4 N -0.76 2.21 -0.27 5.51 0.00 -0.31 -1.12 121.76 127.03 2pkr s ALA 4 Ca 0.12 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 50.98 2pkr s ALA 4 Cb -0.11 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 2pkr s ALA 4 CO 0.02 0.36 0.15 0.42 0.00 0.00 0.00 175.76 176.70 2pkr s ILE 5 N 0.07 4.95 -0.35 0.00 1.01 -0.12 -0.42 121.20 126.33 2pkr s ILE 5 Ca -0.10 0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.50 2pkr s ILE 5 Cb -0.16 -3.34 0.02 0.00 0.01 0.00 0.00 42.46 38.99 2pkr s ILE 5 CO 0.06 0.28 0.17 0.21 0.00 0.00 0.00 174.94 175.66 2pkr s ASN 6 N 1.70 5.59 0.00 3.58 2.47 -0.60 -0.25 114.94 127.42 2pkr s ASN 6 Ca 0.07 -0.93 0.00 0.00 0.42 0.00 0.00 52.86 52.42 2pkr s ASN 6 Cb -0.16 -1.98 0.00 0.00 -1.45 0.00 0.00 41.25 37.66 2pkr s ASN 6 CO 0.08 -0.33 0.00 0.61 -3.72 0.00 0.00 177.10 173.74 2pkr n GLY 7 N 4.95 -0.40 2.43 1.21 0.00 -0.76 -0.89 105.19 111.74 2pkr n GLY 7 Ca -0.12 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 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 0.07 1.58 -0.80 1.61 7.35 -1.25 -4.00 117.46 122.02 2pkr n PHE 8 Ca 0.00 -2.04 0.00 0.00 -0.76 0.00 0.00 57.45 54.65 2pkr n PHE 8 Cb 0.00 -1.49 0.00 0.00 0.35 0.00 0.00 39.48 38.34 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 1.22 1.26 0.22 7.13 0.00 -1.26 -4.48 105.19 109.27 2pkr n GLY 9 Ca 0.51 -1.78 -0.01 0.00 0.00 0.00 0.00 46.02 44.74 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 0.26 0.00 1.61 2.47 -1.92 0.36 114.38 117.16 2pkr h ARG 10 Ca 0.00 -0.02 -0.15 0.00 -1.26 0.00 0.00 59.98 58.55 2pkr h ARG 10 Cb 0.00 -0.06 0.01 0.00 -1.65 0.00 0.00 29.97 28.27 2pkr h ARG 10 CO 0.00 0.17 -0.60 0.82 0.56 0.00 0.00 179.97 180.92 2pkr h ILE 11 N 0.27 1.43 -0.65 2.04 1.08 -1.90 -1.24 117.51 118.53 2pkr h ILE 11 Ca 0.28 -2.09 0.08 0.00 -0.39 0.00 0.00 64.86 62.74 2pkr h ILE 11 Cb 0.39 2.62 -0.07 0.00 -3.07 0.00 0.00 36.82 36.69 2pkr h ILE 11 CO -0.35 0.61 0.31 1.23 -0.69 0.00 0.00 178.15 179.26 2pkr h GLY 12 N -0.12 0.96 1.08 5.37 0.00 -1.58 0.45 103.07 109.23 2pkr h GLY 12 Ca -0.08 -0.19 -0.20 0.00 0.00 0.00 0.00 47.33 46.86 2pkr h GLY 12 CO 0.12 0.05 -0.67 3.21 0.00 0.00 0.00 176.54 179.25 2pkr h ARG 13 N 0.55 0.73 -0.57 4.80 3.08 -0.33 -1.54 114.38 121.10 2pkr h ARG 13 Ca 0.32 -0.58 0.01 0.00 0.07 0.00 0.00 59.98 59.80 2pkr h ARG 13 Cb 0.32 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 2pkr h ARG 13 CO -0.26 1.19 0.37 -0.91 -1.07 0.00 0.00 179.97 179.30 2pkr h ASN 14 N 0.43 0.64 0.05 7.04 2.35 -0.87 -0.47 115.58 124.75 2pkr h ASN 14 Ca -0.04 -0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2pkr h ASN 14 Cb 1.30 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 39.47 2pkr h ASN 14 CO 0.14 0.46 -0.34 0.15 -1.65 0.00 0.00 177.43 176.19 2pkr h PHE 15 N 0.76 -0.95 -0.68 1.19 3.57 0.01 0.64 116.94 121.48 2pkr h PHE 15 Ca 0.21 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.81 2pkr h PHE 15 Cb -0.07 0.41 -0.06 0.00 2.79 0.00 0.00 35.95 39.02 2pkr h PHE 15 CO -0.04 -0.44 0.36 1.25 -2.23 0.00 0.00 178.31 177.21 2pkr h LEU 16 N -0.53 0.51 -0.71 0.59 6.46 -0.77 0.18 115.31 121.05 2pkr h LEU 16 Ca 0.05 0.04 -0.13 0.00 -0.12 0.00 0.00 57.88 57.72 2pkr h LEU 16 Cb 0.59 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.46 2pkr h LEU 16 CO -0.25 0.32 -0.44 0.03 -0.62 0.00 0.00 178.44 177.48 2pkr h ARG 17 N 0.65 0.47 0.16 1.25 3.08 -0.33 0.07 114.38 119.73 2pkr h ARG 17 Ca 0.32 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2pkr h ARG 17 Cb 0.26 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2pkr h ARG 17 CO -0.22 0.82 -0.08 0.00 -1.07 0.00 0.00 179.97 179.43 2pkr h TRP 18 N -0.24 0.53 -0.46 0.00 7.01 -0.47 -1.56 115.95 120.76 2pkr h TRP 18 Ca -0.02 0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.05 2pkr h TRP 18 Cb 0.19 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.08 2pkr h TRP 18 CO -0.06 0.19 0.30 1.25 -2.79 0.00 0.00 178.44 177.33 2pkr h HIS 18 N 0.52 0.45 0.00 2.65 2.76 -0.77 -2.01 115.15 118.75 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 0.34 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.14 2pkr h HIS 18 CO -0.13 0.26 0.00 0.41 -1.30 0.00 0.00 177.93 177.17 2pkr n GLY 19 N -1.50 -1.53 3.79 5.26 0.00 -0.60 -4.88 105.19 105.73 2pkr n GLY 19 Ca 0.05 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 2pkr n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pkr s ARG 20 N -3.08 4.01 -0.05 1.61 1.81 -0.76 -5.05 118.95 117.44 2pkr s ARG 20 Ca 0.11 1.47 -0.05 0.00 -1.72 0.00 0.00 55.73 55.54 2pkr s ARG 20 Cb 0.14 -2.37 -0.04 0.00 -0.45 0.00 0.00 34.95 32.23 2pkr s ARG 20 CO 0.52 -0.27 0.18 0.15 -0.68 0.00 0.00 175.30 175.20 2pkr s LYS 21 N -2.78 3.46 -1.19 3.54 -0.14 -1.26 -4.52 119.74 116.85 2pkr s LYS 21 Ca 0.62 -0.22 -0.27 0.00 -1.36 0.00 0.00 55.97 54.74 2pkr s LYS 21 Cb -0.20 -3.13 0.02 0.00 -1.68 0.00 0.00 37.83 32.83 2pkr s LYS 21 CO 0.25 0.71 0.72 -0.25 -0.76 0.00 0.00 175.35 176.02 2pkr n ASP 22 N 1.36 -4.48 -4.75 2.83 8.00 -1.26 -4.91 116.55 113.33 2pkr n ASP 22 Ca -0.14 -1.16 -0.40 0.00 0.71 0.00 0.00 54.79 53.80 2pkr n ASP 22 Cb 0.53 -2.50 -0.06 0.00 -0.02 0.00 0.00 41.12 39.08 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 -3.54 7.56 0.00 -2.24 0.15 -1.26 -4.92 113.70 109.45 2pkr s SER 23 Ca 0.46 1.98 0.25 0.00 0.70 0.00 0.00 55.95 59.35 2pkr s SER 23 Cb -0.21 -2.61 1.19 0.00 -1.71 0.00 0.00 66.02 62.67 2pkr s SER 23 CO 0.92 0.09 1.80 -0.81 1.20 0.00 0.00 173.24 176.44 2pkr n PRO 24 N 1.34 1.40 -4.02 5.44 -0.04 -1.26 -4.82 135.00 133.04 2pkr n PRO 24 Ca -0.01 -0.59 -0.32 0.00 -0.04 0.00 0.00 63.50 62.54 2pkr n PRO 24 Cb 0.47 -1.43 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.81 4.06 -0.28 1.53 1.43 -1.26 0.14 118.68 122.50 2pkr s LEU 25 Ca 0.37 0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 53.64 2pkr s LEU 25 Cb 0.19 -2.50 0.09 0.00 0.03 0.00 0.00 46.19 43.99 2pkr s LEU 25 CO 0.30 0.23 0.08 -0.62 0.23 0.00 0.00 176.35 176.57 2pkr s ASP 26 N -2.04 3.76 -0.59 2.29 2.15 0.14 -4.79 116.67 117.58 2pkr s ASP 26 Ca 0.27 -1.42 -0.28 0.00 0.43 0.00 0.00 52.55 51.56 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 0.19 -0.38 1.18 -0.69 -0.17 0.00 0.00 175.17 175.29 2pkr s VAL 27 N 1.68 4.03 -0.05 1.11 1.01 -1.26 0.23 120.40 127.16 2pkr s VAL 27 Ca 0.06 0.82 0.19 0.00 0.00 0.00 0.00 61.98 63.06 2pkr s VAL 27 Cb -0.17 -4.72 -0.29 0.00 0.00 0.00 0.00 36.38 31.19 2pkr s VAL 27 CO -0.21 -1.35 0.39 1.33 0.00 0.00 0.00 175.10 175.25 2pkr n VAL 28 N 6.61 0.15 -3.86 2.92 0.24 -0.27 -4.84 118.33 119.28 2pkr n VAL 28 Ca 0.08 -0.49 -0.11 0.00 -2.04 0.00 0.00 64.34 61.78 2pkr n VAL 28 Cb 0.49 -0.02 -0.09 0.00 -1.47 0.00 0.00 33.84 32.75 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 -3.25 0.10 -0.06 3.34 0.11 -1.20 -0.70 120.40 118.73 2pkr s VAL 29 Ca -0.07 -0.80 0.01 0.00 -2.93 0.00 0.00 61.98 58.19 2pkr s VAL 29 Cb 0.12 -0.68 0.02 0.00 -1.53 0.00 0.00 36.38 34.31 2pkr s VAL 29 CO 0.81 -0.44 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.44 2pkr s ILE 30 N -1.96 0.78 -0.56 7.04 1.01 0.72 -0.94 121.20 127.28 2pkr s ILE 30 Ca -0.10 -0.23 -0.17 0.00 0.00 0.00 0.00 60.65 60.15 2pkr s ILE 30 Cb -0.04 -0.78 0.12 0.00 0.01 0.00 0.00 42.46 41.77 2pkr s ILE 30 CO -0.01 0.29 0.59 0.21 0.00 0.00 0.00 174.94 176.02 2pkr s ASN 31 N 1.07 6.19 -0.31 3.58 2.47 0.65 -0.84 114.94 127.74 2pkr s ASN 31 Ca -0.08 -1.62 0.02 0.00 0.42 0.00 0.00 52.86 51.60 2pkr s ASN 31 Cb -0.14 -2.25 0.08 0.00 -1.45 0.00 0.00 41.25 37.49 2pkr s ASN 31 CO -0.01 -0.96 0.00 -0.62 -3.72 0.00 0.00 177.10 171.79 2pkr s ASP 32 N 3.58 4.74 0.10 -4.21 -1.08 -0.35 -1.83 116.67 117.61 2pkr s ASP 32 Ca 0.07 -1.70 0.13 0.00 -0.52 0.00 0.00 52.55 50.52 2pkr s ASP 32 Cb -0.27 -1.64 0.58 0.00 -1.46 0.00 0.00 42.92 40.12 2pkr s ASP 32 CO 0.05 -0.31 1.40 0.35 0.52 0.00 0.00 175.17 177.17 2pkr n THR 33 N 4.43 1.29 0.27 1.71 -2.24 -1.26 -1.96 114.28 116.51 2pkr n THR 33 Ca -0.06 0.40 0.12 0.00 -2.27 0.00 0.00 64.05 62.23 2pkr n THR 33 Cb 0.42 -1.30 0.17 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 1.30 0.00 0.00 3.38 0.00 -1.93 -3.48 103.07 102.33 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 1.15 1.77 0.11 4.60 0.00 -0.83 -4.51 105.19 107.48 2pkr n GLY 36 Ca 0.03 -2.06 -0.11 0.00 0.00 0.00 0.00 46.02 43.88 2pkr n GLY 36 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2pkr h VAL 37 N 0.00 1.22 -0.44 1.61 2.07 -1.86 -1.86 116.25 116.99 2pkr h VAL 37 Ca 0.00 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 2pkr h VAL 37 Cb 0.00 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2pkr h VAL 37 CO 0.00 0.21 0.26 0.50 0.02 0.00 0.00 177.57 178.56 2pkr h LYS 38 N 0.04 0.60 -0.69 1.57 3.64 -1.95 -1.31 116.57 118.47 2pkr h LYS 38 Ca 0.05 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2pkr h LYS 38 Cb 0.30 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 2pkr h LYS 38 CO 0.00 0.45 0.38 0.37 -2.27 0.00 0.00 179.45 178.38 2pkr h GLN 39 N 0.58 0.97 -0.21 1.90 4.15 -1.79 -0.31 115.11 120.41 2pkr h GLN 39 Ca 0.16 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 2pkr h GLN 39 Cb 0.00 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 2pkr h GLN 39 CO -0.03 0.72 0.08 0.00 -1.93 0.00 0.00 178.83 177.67 2pkr h ALA 40 N 1.19 0.27 -0.23 3.38 0.00 -0.86 -0.91 119.26 122.10 2pkr h ALA 40 Ca 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2pkr h ALA 40 Cb 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2pkr h ALA 40 CO -0.04 -0.12 0.09 1.03 0.00 0.00 0.00 179.25 180.21 2pkr h SER 41 N 0.18 0.32 -0.10 0.00 0.87 -1.09 -2.13 113.55 111.60 2pkr h SER 41 Ca 0.07 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 2pkr h SER 41 Cb 0.19 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2pkr h SER 41 CO -0.00 0.40 0.04 -0.74 -0.53 0.00 0.00 176.83 176.00 2pkr h HIS 42 N 0.22 0.15 0.00 2.24 6.17 -0.96 -1.91 115.15 121.06 2pkr h HIS 42 Ca 0.08 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.15 2pkr h HIS 42 Cb 0.18 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 30.07 2pkr h HIS 42 CO -0.01 0.24 0.00 -0.07 0.71 0.00 0.00 177.93 178.80 2pkr h LEU 43 N 0.02 0.00 0.06 0.26 3.38 -1.18 -0.79 115.31 117.07 2pkr h LEU 43 Ca 0.03 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.76 2pkr h LEU 43 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2pkr h LEU 43 CO -0.00 0.00 -1.13 0.25 0.09 0.00 0.00 178.44 177.65 2pkr h LEU 44 N 0.00 0.21 0.08 1.67 5.85 -1.11 -3.35 115.31 118.65 2pkr h LEU 44 Ca 0.00 -0.22 -0.12 0.00 0.84 0.00 0.00 57.88 58.37 2pkr h LEU 44 Cb 0.53 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.51 2pkr h LEU 44 CO 0.00 1.18 -0.53 0.50 -0.34 0.00 0.00 178.44 179.25 2pkr h LYS 45 N 0.04 0.22 -5.15 1.25 1.63 -0.87 -3.41 116.57 110.28 2pkr h LYS 45 Ca -0.07 -0.34 -0.64 0.00 -0.85 0.00 0.00 60.65 58.75 2pkr h LYS 45 Cb 1.87 0.12 -0.21 0.00 -0.60 0.00 0.00 32.23 33.41 2pkr h LYS 45 CO 0.17 1.13 -0.63 0.71 -3.45 0.00 0.00 179.45 177.38 2pkr s TYR 46 N -2.54 3.09 -0.08 1.91 2.02 -0.35 -0.58 117.35 120.83 2pkr s TYR 46 Ca -0.15 -0.30 -0.02 0.00 -0.37 0.00 0.00 57.07 56.23 2pkr s TYR 46 Cb 0.00 -2.10 0.03 0.00 -0.40 0.00 0.00 41.96 39.50 2pkr s TYR 46 CO 0.79 -0.14 0.03 0.34 -1.57 0.00 0.00 175.55 175.00 2pkr s ASP 47 N 0.88 1.59 0.55 2.29 -1.08 -1.22 -4.52 116.67 115.16 2pkr s ASP 47 Ca 0.02 -0.13 0.33 0.00 -0.52 0.00 0.00 52.55 52.25 2pkr s ASP 47 Cb -0.14 -0.32 1.80 0.00 -1.46 0.00 0.00 42.92 42.80 2pkr s ASP 47 CO 0.02 -0.24 2.01 0.28 0.52 0.00 0.00 175.17 177.76 2pkr h SER 48 N 8.37 0.00 0.00 -0.34 0.02 -1.95 0.36 113.55 120.01 2pkr h SER 48 Ca -0.16 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.57 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 0.23 0.00 -1.80 -0.38 -1.14 0.00 0.00 176.83 173.74 2pkr n ILE 49 N -2.73 0.80 0.58 3.27 5.41 -1.26 -4.69 119.36 120.74 2pkr n ILE 49 Ca -0.02 -0.28 0.12 0.00 1.00 0.00 0.00 62.75 63.56 2pkr n ILE 49 Cb 0.14 -1.15 0.12 0.00 -0.71 0.00 0.00 39.64 38.03 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 -3.08 0.66 0.00 1.39 4.77 -1.15 -5.05 117.00 114.53 2pkr n LEU 50 Ca -0.26 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2pkr n LEU 50 Cb 0.75 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2pkr n LEU 50 CO 0.11 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 2pkr n GLY 51 N 1.36 -0.85 3.73 -0.72 0.00 0.12 -4.86 105.19 103.97 2pkr n GLY 51 Ca 0.03 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.19 2.99 -0.06 2.61 2.01 -1.26 -3.41 115.64 117.33 2pkr s THR 52 Ca 0.00 0.76 -0.30 0.00 0.31 0.00 0.00 61.69 62.46 2pkr s THR 52 Cb 0.00 -3.49 -0.06 0.00 0.01 0.00 0.00 72.50 68.97 2pkr s THR 52 CO 0.00 0.09 1.68 0.12 -0.69 0.00 0.00 174.62 175.82 2pkr s PHE 53 N 0.64 1.92 -1.29 4.92 5.36 0.25 -4.90 117.98 124.87 2pkr s PHE 53 Ca 0.63 0.17 -0.17 0.00 -0.96 0.00 0.00 56.93 56.60 2pkr s PHE 53 Cb -0.39 -3.95 0.01 0.00 -0.34 0.00 0.00 43.02 38.35 2pkr s PHE 53 CO 0.35 -3.93 2.04 -3.47 -1.46 0.00 0.00 175.22 168.75 2pkr n ASP 54 N 7.32 3.85 -3.52 6.13 -0.08 -1.26 -4.79 116.55 124.20 2pkr n ASP 54 Ca 0.18 -2.82 -0.10 0.00 -1.51 0.00 0.00 54.79 50.53 2pkr n ASP 54 Cb 0.43 -1.60 -0.03 0.00 2.34 0.00 0.00 41.12 42.26 2pkr n ASP 54 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2pkr s ALA 55 N 4.25 -1.84 -0.51 -1.67 0.00 -1.26 -5.11 121.76 115.62 2pkr s ALA 55 Ca 0.52 1.18 -0.28 0.00 0.00 0.00 0.00 51.96 53.37 2pkr s ALA 55 Cb 0.11 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.34 2pkr s ALA 55 CO -0.00 -0.56 1.13 0.34 0.00 0.00 0.00 175.76 176.67 2pkr s ASP 56 N -1.99 6.56 -0.07 0.00 -1.08 -1.26 -4.88 116.67 113.95 2pkr s ASP 56 Ca 0.01 0.30 0.05 0.00 -0.52 0.00 0.00 52.55 52.39 2pkr s ASP 56 Cb -0.01 -2.54 -0.01 0.00 -1.46 0.00 0.00 42.92 38.90 2pkr s ASP 56 CO -0.04 -1.30 -0.21 -0.69 0.52 0.00 0.00 175.17 173.45 2pkr s VAL 57 N 4.51 2.38 0.23 1.11 1.01 -1.26 0.13 120.40 128.51 2pkr s VAL 57 Ca 0.45 -0.94 -0.22 0.00 0.00 0.00 0.00 61.98 61.26 2pkr s VAL 57 Cb -0.08 -1.90 0.04 0.00 0.00 0.00 0.00 36.38 34.44 2pkr s VAL 57 CO 0.29 0.57 0.70 -1.59 0.00 0.00 0.00 175.10 175.07 2pkr s LYS 58 N -0.16 1.57 0.46 2.72 -2.85 -0.95 -4.99 119.74 115.54 2pkr s LYS 58 Ca -0.03 -0.79 -0.16 0.00 -1.00 0.00 0.00 55.97 53.99 2pkr s LYS 58 Cb -0.14 0.59 -0.08 0.00 -2.06 0.00 0.00 37.83 36.13 2pkr s LYS 58 CO 0.04 -0.71 0.92 0.95 0.10 0.00 0.00 175.35 176.65 2pkr s THR 59 N -3.81 4.55 -0.42 3.79 -4.23 -1.26 -0.96 115.64 113.31 2pkr s THR 59 Ca 0.08 1.16 0.02 0.00 -1.18 0.00 0.00 61.69 61.76 2pkr s THR 59 Cb -0.04 -3.69 0.13 0.00 1.34 0.00 0.00 72.50 70.24 2pkr s THR 59 CO -0.00 -0.55 0.22 0.00 -0.54 0.00 0.00 174.62 173.76 2pkr s ALA 60 N -2.44 2.03 0.00 3.99 0.00 0.14 -4.72 121.76 120.77 2pkr s ALA 60 Ca 0.58 -2.48 0.00 0.00 0.00 0.00 0.00 51.96 50.06 2pkr s ALA 60 Cb -0.10 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.17 2pkr s ALA 60 CO 0.26 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.39 2pkr n GLY 60 N 3.67 -1.00 0.04 0.00 0.00 -1.26 -3.23 105.19 103.41 2pkr n GLY 60 Ca 0.08 -1.21 0.12 0.00 0.00 0.00 0.00 46.02 45.00 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 0.07 0.62 -2.50 1.61 8.00 -1.26 -4.50 116.55 118.59 2pkr n ASP 61 Ca 0.00 -0.08 0.01 0.00 0.71 0.00 0.00 54.79 55.42 2pkr n ASP 61 Cb 0.00 0.37 0.05 0.00 -0.02 0.00 0.00 41.12 41.51 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 -1.90 1.16 -3.66 -2.24 3.41 -1.26 -4.78 113.62 104.37 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 0.41 -0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 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 -2.62 -1.60 0.18 7.33 0.00 -1.20 -0.55 121.76 123.30 2pkr s ALA 63 Ca 0.27 0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.58 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 -0.07 -0.91 -0.04 0.96 0.00 0.00 0.00 175.76 175.70 2pkr s ILE 64 N -3.45 0.99 0.00 0.00 -4.36 -0.59 0.25 121.20 114.04 2pkr s ILE 64 Ca 0.08 -2.03 0.05 0.00 -0.26 0.00 0.00 60.65 58.49 2pkr s ILE 64 Cb -0.02 -2.09 -0.01 0.00 1.25 0.00 0.00 42.46 41.58 2pkr s ILE 64 CO -0.02 -0.53 -0.15 -0.94 0.24 0.00 0.00 174.94 173.54 2pkr s SER 65 N -3.22 1.81 -0.28 4.36 1.04 -0.13 0.16 113.70 117.44 2pkr s SER 65 Ca 0.23 -0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.35 2pkr s SER 65 Cb 0.05 -0.18 0.08 0.00 0.10 0.00 0.00 66.02 66.06 2pkr s SER 65 CO 0.04 0.15 -0.02 -0.69 0.98 0.00 0.00 173.24 173.70 2pkr s VAL 66 N -0.49 1.90 -1.46 5.02 1.01 -0.52 -2.25 120.40 123.61 2pkr s VAL 66 Ca 0.05 -1.71 -0.09 0.00 0.00 0.00 0.00 61.98 60.23 2pkr s VAL 66 Cb -0.06 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.14 2pkr s VAL 66 CO -0.00 -0.29 0.86 0.47 0.00 0.00 0.00 175.10 176.14 2pkr n ASP 67 N 4.48 -5.66 0.00 3.32 8.00 0.12 -2.00 116.55 124.81 2pkr n ASP 67 Ca -0.07 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 54.95 2pkr n ASP 67 Cb 0.43 -4.53 0.00 0.00 -0.02 0.00 0.00 41.12 37.00 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 -1.67 3.13 3.63 0.44 0.00 -1.26 -5.01 105.19 104.44 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 -0.38 3.92 0.05 1.61 2.20 -0.85 -4.98 119.74 121.31 2pkr s LYS 69 Ca 0.00 1.22 -0.26 0.00 -0.36 0.00 0.00 55.97 56.57 2pkr s LYS 69 Cb 0.00 -3.87 -0.05 0.00 -1.51 0.00 0.00 37.83 32.40 2pkr s LYS 69 CO 0.00 -1.11 0.82 0.08 -0.36 0.00 0.00 175.35 174.78 2pkr s VAL 70 N 4.33 4.71 -0.15 4.02 1.01 -1.26 -1.44 120.40 131.63 2pkr s VAL 70 Ca 0.55 1.75 0.01 0.00 0.00 0.00 0.00 61.98 64.29 2pkr s VAL 70 Cb -0.16 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.07 2pkr s VAL 70 CO 0.23 0.33 -0.17 -0.63 0.00 0.00 0.00 175.10 174.86 2pkr s ILE 71 N 0.10 1.76 0.58 2.22 1.01 0.12 -4.94 121.20 122.06 2pkr s ILE 71 Ca 0.41 -0.77 -0.20 0.00 0.00 0.00 0.00 60.65 60.10 2pkr s ILE 71 Cb -0.21 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 2pkr s ILE 71 CO 0.24 0.49 1.27 -0.75 0.00 0.00 0.00 174.94 176.19 2pkr s LYS 72 N 1.25 2.99 -0.12 2.79 2.47 0.12 -1.54 119.74 127.71 2pkr s LYS 72 Ca 0.01 2.00 -0.01 0.00 -1.56 0.00 0.00 55.97 56.41 2pkr s LYS 72 Cb -0.14 -2.05 0.03 0.00 -1.46 0.00 0.00 37.83 34.22 2pkr s LYS 72 CO -0.08 -1.24 -0.05 0.08 0.16 0.00 0.00 175.35 174.22 2pkr s VAL 73 N -1.45 0.86 0.40 4.02 1.01 0.28 -0.20 120.40 125.32 2pkr s VAL 73 Ca 0.76 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 62.54 2pkr s VAL 73 Cb -0.35 -0.97 -0.07 0.00 0.00 0.00 0.00 36.38 34.99 2pkr s VAL 73 CO 0.39 0.26 0.07 0.68 0.00 0.00 0.00 175.10 176.50 2pkr s VAL 74 N 1.76 2.18 -0.22 2.92 -7.23 -0.02 -4.57 120.40 115.22 2pkr s VAL 74 Ca 0.04 -1.90 -0.04 0.00 -1.81 0.00 0.00 61.98 58.27 2pkr s VAL 74 Cb -0.13 -2.97 0.09 0.00 0.56 0.00 0.00 36.38 33.93 2pkr s VAL 74 CO -0.07 -0.03 0.17 -0.55 -0.31 0.00 0.00 175.10 174.31 2pkr s SER 75 N -3.78 2.12 -0.29 4.85 0.15 -1.26 -1.21 113.70 114.28 2pkr s SER 75 Ca 0.37 -0.61 -0.14 0.00 0.70 0.00 0.00 55.95 56.27 2pkr s SER 75 Cb 0.07 0.06 0.10 0.00 -1.71 0.00 0.00 66.02 64.54 2pkr s SER 75 CO 0.20 -0.36 0.68 -0.62 1.20 0.00 0.00 173.24 174.33 2pkr s ASP 76 N 2.23 -1.01 0.35 5.45 -1.08 -1.26 -4.96 116.67 116.38 2pkr s ASP 76 Ca 0.06 1.53 0.26 0.00 -0.52 0.00 0.00 52.55 53.88 2pkr s ASP 76 Cb -0.16 1.69 0.79 0.00 -1.46 0.00 0.00 42.92 43.79 2pkr s ASP 76 CO -0.18 -0.23 1.75 0.03 0.52 0.00 0.00 175.17 177.06 2pkr h ARG 77 N 7.32 0.00 -4.38 4.34 3.08 -1.99 -3.41 114.38 119.34 2pkr h ARG 77 Ca -0.26 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 59.06 2pkr h ARG 77 Cb 1.19 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 31.00 2pkr h ARG 77 CO 0.14 0.00 -0.38 1.21 -1.07 0.00 0.00 179.97 179.87 2pkr s ASN 78 N -5.20 6.03 0.51 7.04 3.84 -1.26 -4.97 114.94 120.93 2pkr s ASN 78 Ca 0.07 -1.26 0.19 0.00 0.21 0.00 0.00 52.86 52.06 2pkr s ASN 78 Cb 0.09 -2.14 1.26 0.00 -0.55 0.00 0.00 41.25 39.91 2pkr s ASN 78 CO 0.57 -0.58 2.07 -0.65 -2.79 0.00 0.00 177.10 175.72 2pkr h PRO 79 N 8.65 0.09 -0.03 0.43 0.11 -1.90 -2.29 132.00 137.06 2pkr h PRO 79 Ca -0.27 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.84 2pkr h PRO 79 Cb 1.11 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2pkr h PRO 79 CO 0.82 0.06 0.03 -0.39 -0.21 0.00 0.00 178.00 178.31 2pkr h VAL 80 N 0.09 0.51 -0.19 3.15 -1.51 -1.94 -1.57 116.25 114.79 2pkr h VAL 80 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.61 2pkr h VAL 80 Cb 0.44 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 2pkr h VAL 80 CO -0.01 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.92 2pkr n ASN 81 N -3.83 2.10 -4.77 4.19 5.03 -0.86 -4.29 115.26 112.83 2pkr n ASN 81 Ca -0.02 -1.77 -0.38 0.00 0.87 0.00 0.00 54.58 53.28 2pkr n ASN 81 Cb 0.12 -0.12 -0.05 0.00 -1.02 0.00 0.00 39.78 38.71 2pkr n ASN 81 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2pkr s LEU 82 N -1.61 4.32 -0.00 3.41 1.43 -0.59 -4.94 118.68 120.70 2pkr s LEU 82 Ca 0.34 2.07 -0.02 0.00 -1.03 0.00 0.00 54.13 55.48 2pkr s LEU 82 Cb 0.19 -3.96 -0.11 0.00 0.03 0.00 0.00 46.19 42.34 2pkr s LEU 82 CO 0.28 -0.28 2.65 -0.81 0.23 0.00 0.00 176.35 178.42 2pkr n PRO 83 N 0.49 1.40 -0.07 1.29 -0.04 -1.26 -4.53 135.00 132.28 2pkr n PRO 83 Ca 0.02 -0.40 -0.12 0.00 -0.04 0.00 0.00 63.50 62.96 2pkr n PRO 83 Cb 0.48 -1.40 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 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 1.80 0.46 -0.07 0.54 -0.00 -1.91 -1.72 115.95 115.07 2pkr h TRP 84 Ca 0.08 -0.11 -0.00 0.00 -0.00 0.00 0.00 58.89 58.85 2pkr h TRP 84 Cb 1.21 -0.11 -0.00 0.00 -0.00 0.00 0.00 29.16 30.25 2pkr h TRP 84 CO 0.85 0.68 0.03 0.78 -0.00 0.00 0.00 178.44 180.78 2pkr h GLY 85 N 0.12 0.11 1.37 1.49 0.00 -1.01 0.18 103.07 105.33 2pkr h GLY 85 Ca 0.05 -0.05 0.08 0.00 0.00 0.00 0.00 47.33 47.40 2pkr h GLY 85 CO 0.03 0.05 0.25 -0.55 0.00 0.00 0.00 176.54 176.32 2pkr h ASP 86 N -0.03 0.14 0.64 0.19 3.32 -1.80 -0.84 116.42 118.03 2pkr h ASP 86 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2pkr h ASP 86 Cb 0.14 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2pkr h ASP 86 CO -0.00 0.09 -0.94 0.23 -1.72 0.00 0.00 179.24 176.90 2pkr n MET 87 N -4.46 0.36 -1.84 3.56 2.81 -0.65 -4.96 117.12 111.93 2pkr n MET 87 Ca 0.05 0.04 -0.01 0.00 -1.81 0.00 0.00 57.70 55.96 2pkr n MET 87 Cb 0.33 -1.66 -0.00 0.00 -0.71 0.00 0.00 33.22 31.18 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 1.32 0.35 3.68 3.03 0.00 0.50 -4.98 105.19 109.09 2pkr n GLY 88 Ca 0.02 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 2pkr n GLY 88 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2pkr n ILE 89 N -3.81 0.57 -0.07 -0.61 2.08 -0.33 -4.85 119.36 112.33 2pkr n ILE 89 Ca -0.01 -0.10 -0.14 0.00 0.56 0.00 0.00 62.75 63.05 2pkr n ILE 89 Cb 0.43 -2.21 -0.12 0.00 -0.75 0.00 0.00 39.64 36.99 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 9.56 0.00 -3.52 4.38 3.32 -1.50 -2.84 116.42 125.82 2pkr h ASP 90 Ca -0.48 -0.83 -0.47 0.00 0.02 0.00 0.00 57.03 55.27 2pkr h ASP 90 Cb 1.23 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.45 2pkr h ASP 90 CO 0.94 1.03 -0.80 -0.22 -1.72 0.00 0.00 179.24 178.48 2pkr s LEU 91 N -8.19 1.59 -0.21 1.55 2.96 -0.73 -0.92 118.68 114.73 2pkr s LEU 91 Ca -0.19 -0.23 -0.07 0.00 -0.22 0.00 0.00 54.13 53.42 2pkr s LEU 91 Cb -0.01 -0.68 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 2pkr s LEU 91 CO 0.61 0.02 0.05 -0.69 -1.32 0.00 0.00 176.35 175.03 2pkr s VAL 92 N 0.62 4.46 -0.61 1.68 1.01 -0.19 -1.16 120.40 126.22 2pkr s VAL 92 Ca -0.11 -0.14 -0.21 0.00 0.00 0.00 0.00 61.98 61.52 2pkr s VAL 92 Cb -0.14 -3.04 0.08 0.00 0.00 0.00 0.00 36.38 33.28 2pkr s VAL 92 CO 0.02 0.41 0.82 -0.63 0.00 0.00 0.00 175.10 175.72 2pkr s ILE 93 N 0.92 4.60 -0.68 2.22 -1.09 0.43 -0.83 121.20 126.77 2pkr s ILE 93 Ca 0.03 -0.61 -0.27 0.00 -2.23 0.00 0.00 60.65 57.57 2pkr s ILE 93 Cb -0.14 -4.55 0.02 0.00 -1.58 0.00 0.00 42.46 36.21 2pkr s ILE 93 CO 0.03 -1.23 1.33 -0.70 -1.23 0.00 0.00 174.94 173.13 2pkr s GLU 94 N 3.32 3.22 -0.18 2.79 -6.30 -0.07 -1.56 118.70 119.91 2pkr s GLU 94 Ca 0.17 0.00 0.13 0.00 -2.50 0.00 0.00 54.97 52.78 2pkr s GLU 94 Cb -0.20 -4.16 0.43 0.00 0.00 0.00 0.00 34.13 30.20 2pkr s GLU 94 CO 0.09 -2.08 1.21 0.41 0.02 0.00 0.00 175.26 174.90 2pkr n GLY 95 N 5.33 4.48 0.11 -1.50 0.00 -0.07 -1.25 105.19 112.29 2pkr n GLY 95 Ca 0.07 -1.36 0.05 0.00 0.00 0.00 0.00 46.02 44.77 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 2.26 0.32 0.00 2.61 1.35 -1.81 -3.43 112.91 114.21 2pkr h THR 96 Ca -0.01 -1.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.26 2pkr h THR 96 Cb 1.22 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 2pkr h THR 96 CO 0.10 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 176.16 2pkr n GLY 97 N 1.29 0.98 0.00 5.82 0.00 -1.26 -4.87 105.19 107.14 2pkr n GLY 97 Ca -0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.02 2pkr n GLY 97 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pkr n VAL 98 N -2.00 0.00 -3.43 1.61 0.24 -1.26 -4.77 118.33 108.72 2pkr n VAL 98 Ca 0.00 -0.28 -0.27 0.00 -2.04 0.00 0.00 64.34 61.75 2pkr n VAL 98 Cb 0.00 0.84 -0.08 0.00 -1.47 0.00 0.00 33.84 33.13 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 -1.33 3.55 0.69 6.34 3.72 -1.26 -4.85 117.46 124.32 2pkr n PHE 99 Ca 0.01 -4.15 0.09 0.00 -0.05 0.00 0.00 57.45 53.35 2pkr n PHE 99 Cb 0.14 -0.56 0.08 0.00 -0.94 0.00 0.00 39.48 38.21 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 0.90 0.04 -3.76 -4.37 0.24 -1.26 -3.66 118.33 106.45 2pkr n VAL 100 Ca 0.29 -0.52 -0.22 0.00 -2.04 0.00 0.00 64.34 61.86 2pkr n VAL 100 Cb 0.41 1.33 -0.05 0.00 -1.47 0.00 0.00 33.84 34.07 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 -1.45 4.86 0.18 -1.34 -4.77 -1.26 0.08 116.67 112.97 2pkr s ASP 101 Ca 0.21 -0.84 -0.13 0.00 -3.30 0.00 0.00 52.55 48.49 2pkr s ASP 101 Cb 0.15 -0.57 0.12 0.00 -1.09 0.00 0.00 42.92 41.54 2pkr s ASP 101 CO 0.22 -0.59 1.80 0.03 0.70 0.00 0.00 175.17 177.32 2pkr h ARG 102 N 1.18 0.54 -0.43 2.11 3.08 -1.94 -0.18 114.38 118.73 2pkr h ARG 102 Ca -0.42 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.55 2pkr h ARG 102 Cb 1.26 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.17 2pkr h ARG 102 CO 0.61 0.36 0.06 0.22 -1.07 0.00 0.00 179.97 180.15 2pkr h ASP 103 N 0.55 0.62 0.23 7.04 1.82 -1.96 0.21 116.42 124.94 2pkr h ASP 103 Ca 0.22 -0.11 -0.01 0.00 -0.39 0.00 0.00 57.03 56.74 2pkr h ASP 103 Cb 0.09 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 39.94 2pkr h ASP 103 CO -0.13 0.65 -0.11 1.23 -1.61 0.00 0.00 179.24 179.27 2pkr h GLY 104 N 0.89 -0.33 1.56 -0.78 0.00 -1.81 -3.22 103.07 99.38 2pkr h GLY 104 Ca 0.14 0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.64 2pkr h GLY 104 CO 0.00 -0.12 0.19 0.00 0.00 0.00 0.00 176.54 176.61 2pkr h ALA 105 N -1.21 2.07 0.00 3.60 0.00 -1.10 -0.09 119.26 122.54 2pkr h ALA 105 Ca -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pkr h ALA 105 Cb 0.24 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2pkr h ALA 105 CO 0.05 -0.13 -0.01 0.78 0.00 0.00 0.00 179.25 179.94 2pkr h GLY 106 N 0.14 0.00 2.00 0.00 0.00 -0.66 -1.61 103.07 102.94 2pkr h GLY 106 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 2pkr h GLY 106 CO -0.02 0.00 -0.01 0.50 0.00 0.00 0.00 176.54 177.02 2pkr h LYS 107 N 0.00 0.00 -0.04 4.80 1.57 -1.01 0.14 116.57 122.04 2pkr h LYS 107 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 2pkr h LYS 107 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2pkr h LYS 107 CO 0.00 0.01 -0.71 0.45 -0.57 0.00 0.00 179.45 178.63 2pkr h HIS 108 N 0.00 0.27 -0.21 -1.35 3.86 -1.47 -1.85 115.15 114.40 2pkr h HIS 108 Ca -0.00 -0.12 -0.19 0.00 -1.16 0.00 0.00 60.37 58.90 2pkr h HIS 108 Cb 0.02 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.45 2pkr h HIS 108 CO 0.00 0.84 -0.62 -0.07 0.86 0.00 0.00 177.93 178.94 2pkr h LEU 109 N 0.13 0.83 -1.39 2.43 3.38 -0.90 -0.68 115.31 119.11 2pkr h LEU 109 Ca -0.02 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 2pkr h LEU 109 Cb 1.26 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 2pkr h LEU 109 CO 0.11 1.25 0.30 1.56 0.09 0.00 0.00 178.44 181.74 2pkr h GLN 110 N 0.54 0.71 0.00 1.13 4.20 -1.02 -0.10 115.11 120.57 2pkr h GLN 110 Ca -0.01 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2pkr h GLN 110 Cb 1.21 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.84 2pkr h GLN 110 CO 0.13 0.51 0.00 0.00 -0.67 0.00 0.00 178.83 178.80 2pkr n ALA 111 N -2.46 2.30 0.00 3.87 0.00 -0.72 -4.89 120.51 118.62 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 0.09 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 1.01 0.80 3.77 0.00 0.00 -0.05 -0.71 105.19 110.01 2pkr n GLY 112 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 3.17 0.09 4.61 0.00 -0.29 -3.79 121.76 123.55 2pkr s ALA 113 Ca 0.00 0.85 0.06 0.00 0.00 0.00 0.00 51.96 52.87 2pkr s ALA 113 Cb 0.00 -3.33 -0.22 0.00 0.00 0.00 0.00 23.12 19.57 2pkr s ALA 113 CO 0.00 -0.34 1.18 0.87 0.00 0.00 0.00 175.76 177.47 2pkr h LYS 114 N 2.79 0.04 -3.20 0.00 1.57 -1.39 -3.37 116.57 113.01 2pkr h LYS 114 Ca -0.48 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.15 2pkr h LYS 114 Cb 1.22 0.03 -0.16 0.00 0.08 0.00 0.00 32.23 33.40 2pkr h LYS 114 CO 0.63 0.97 -0.16 0.21 -0.57 0.00 0.00 179.45 180.53 2pkr s LYS 115 N -2.69 0.89 -0.05 3.15 2.20 -0.10 -4.88 119.74 118.27 2pkr s LYS 115 Ca -0.01 -0.47 0.02 0.00 -0.36 0.00 0.00 55.97 55.15 2pkr s LYS 115 Cb 0.09 0.39 0.01 0.00 -1.51 0.00 0.00 37.83 36.82 2pkr s LYS 115 CO 0.83 -0.30 -0.10 0.08 -0.36 0.00 0.00 175.35 175.50 2pkr s VAL 116 N -2.70 0.93 -0.33 4.02 1.01 -0.34 -1.02 120.40 121.98 2pkr s VAL 116 Ca -0.04 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.56 2pkr s VAL 116 Cb -0.00 -0.86 0.08 0.00 0.00 0.00 0.00 36.38 35.59 2pkr s VAL 116 CO -0.04 0.30 0.04 -0.22 0.00 0.00 0.00 175.10 175.18 2pkr s LEU 117 N 0.56 4.32 -0.09 3.92 0.20 -0.01 -0.69 118.68 126.88 2pkr s LEU 117 Ca -0.11 -1.66 -0.28 0.00 0.69 0.00 0.00 54.13 52.77 2pkr s LEU 117 Cb -0.14 -1.69 -0.02 0.00 -0.43 0.00 0.00 46.19 43.92 2pkr s LEU 117 CO 0.02 -0.34 0.95 -0.63 -0.29 0.00 0.00 176.35 176.06 2pkr s ILE 118 N 1.12 4.84 -0.09 6.68 1.01 0.46 -0.89 121.20 134.33 2pkr s ILE 118 Ca 0.01 1.93 -0.04 0.00 0.00 0.00 0.00 60.65 62.54 2pkr s ILE 118 Cb -0.20 -4.26 -0.13 0.00 0.01 0.00 0.00 42.46 37.88 2pkr s ILE 118 CO -0.04 0.06 3.04 0.35 0.00 0.00 0.00 174.94 178.35 2pkr n THR 119 N 4.38 2.82 -3.74 2.92 -2.24 -0.38 -1.64 114.28 116.40 2pkr n THR 119 Ca 0.07 -1.54 0.01 0.00 -2.27 0.00 0.00 64.05 60.32 2pkr n THR 119 Cb 0.49 -1.78 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 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 0.16 -2.24 0.41 6.98 0.00 -1.21 -4.92 121.76 120.93 2pkr s ALA 120 Ca 0.49 0.43 -0.26 0.00 0.00 0.00 0.00 51.96 52.62 2pkr s ALA 120 Cb 0.26 0.54 -0.09 0.00 0.00 0.00 0.00 23.12 23.83 2pkr s ALA 120 CO -0.04 -1.08 1.37 -2.14 0.00 0.00 0.00 175.76 173.87 2pkr s PRO 121 N -2.33 3.94 0.20 0.00 0.02 -1.24 -3.71 135.00 131.88 2pkr s PRO 121 Ca 0.19 2.30 -0.12 0.00 0.02 0.00 0.00 61.00 63.39 2pkr s PRO 121 Cb 0.03 -2.79 -0.07 0.00 0.02 0.00 0.00 34.50 31.69 2pkr s PRO 121 CO -0.02 -0.57 0.56 0.20 -0.33 0.00 0.00 177.00 176.84 2pkr s GLY 122 N -0.55 2.37 -0.06 0.52 0.00 -1.26 -4.92 107.32 103.41 2pkr s GLY 122 Ca 0.57 -0.19 -0.14 0.00 0.00 0.00 0.00 44.72 44.96 2pkr s GLY 122 CO 0.54 0.02 0.36 0.54 0.00 0.00 0.00 173.10 174.56 2pkr s LYS 122 N -2.44 3.98 1.82 2.90 -0.14 0.11 -4.82 119.74 121.15 2pkr s LYS 122 Ca 0.43 0.29 0.00 0.00 -1.36 0.00 0.00 55.97 55.34 2pkr s LYS 122 Cb -0.13 -3.28 0.00 0.00 -1.68 0.00 0.00 37.83 32.74 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 2.32 -0.98 3.30 -3.33 0.00 -1.26 -4.11 105.19 101.14 2pkr n GLY 123 Ca -0.13 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 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 0.36 4.63 -3.95 1.61 2.03 -1.26 -4.91 116.55 115.06 2pkr n ASP 124 Ca 0.00 -2.90 -0.28 0.00 0.52 0.00 0.00 54.79 52.13 2pkr n ASP 124 Cb 0.00 -1.71 -0.17 0.00 -0.72 0.00 0.00 41.12 38.52 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 3.72 1.25 -0.06 5.18 1.01 -1.26 -4.97 121.20 126.07 2pkr s ILE 125 Ca 0.51 -0.44 -0.36 0.00 0.00 0.00 0.00 60.65 60.36 2pkr s ILE 125 Cb 0.07 -1.23 -0.14 0.00 0.01 0.00 0.00 42.46 41.17 2pkr s ILE 125 CO 0.02 0.39 1.68 -2.65 0.00 0.00 0.00 174.94 174.39 2pkr n PRO 126 N 4.87 1.70 -4.54 2.79 -0.02 -1.26 -4.73 135.00 133.81 2pkr n PRO 126 Ca -0.14 0.62 -0.34 0.00 -2.02 0.00 0.00 63.50 61.62 2pkr n PRO 126 Cb 0.50 -2.37 -0.11 0.00 -0.02 0.00 0.00 33.50 31.50 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 2.63 3.78 0.02 3.45 2.01 -1.26 -0.68 115.64 125.58 2pkr s THR 127 Ca 0.90 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 62.48 2pkr s THR 127 Cb -0.84 -2.59 -0.01 0.00 0.01 0.00 0.00 72.50 69.07 2pkr s THR 127 CO 0.52 0.56 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.65 2pkr s TYR 128 N -0.40 0.50 -0.18 4.92 2.02 -0.21 -4.78 117.35 119.22 2pkr s TYR 128 Ca 0.06 -0.30 -0.01 0.00 -0.37 0.00 0.00 57.07 56.45 2pkr s TYR 128 Cb -0.12 -0.31 0.05 0.00 -0.40 0.00 0.00 41.96 41.17 2pkr s TYR 128 CO 0.02 -0.06 -0.03 0.08 -1.57 0.00 0.00 175.55 174.00 2pkr s VAL 129 N -0.77 0.98 0.10 0.71 1.01 -1.26 -4.12 120.40 117.05 2pkr s VAL 129 Ca -0.05 -0.67 -0.33 0.00 0.00 0.00 0.00 61.98 60.94 2pkr s VAL 129 Cb -0.06 -1.26 -0.12 0.00 0.00 0.00 0.00 36.38 34.94 2pkr s VAL 129 CO 0.00 0.01 1.77 0.52 0.00 0.00 0.00 175.10 177.40 2pkr n VAL 130 N 4.90 0.29 0.00 2.92 0.31 -1.26 -0.80 118.33 124.69 2pkr n VAL 130 Ca -0.11 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2pkr n VAL 130 Cb 0.47 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 2pkr n VAL 130 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pkr n GLY 131 N 4.03 0.45 1.37 2.92 0.00 -1.26 -4.88 105.19 107.82 2pkr n GLY 131 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.90 0.21 -2.09 1.61 0.31 0.02 -4.88 118.33 111.62 2pkr n VAL 132 Ca 0.00 0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2pkr n VAL 132 Cb 0.00 -1.15 -0.00 0.00 -0.91 0.00 0.00 33.84 31.78 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 -3.00 0.09 0.30 4.52 2.04 -0.94 -4.92 115.26 113.35 2pkr n ASN 133 Ca 0.00 -1.76 0.18 0.00 -0.44 0.00 0.00 54.58 52.56 2pkr n ASN 133 Cb 0.23 -0.13 0.95 0.00 -2.53 0.00 0.00 39.78 38.30 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 0.17 0.00 0.00 -3.83 9.09 -1.94 -1.89 114.58 116.17 2pkr h GLU 134 Ca -0.09 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.32 2pkr h GLU 134 Cb 1.39 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.49 2pkr h GLU 134 CO -0.01 0.03 0.00 0.39 0.05 0.00 0.00 179.01 179.48 2pkr n GLU 135 N -3.34 0.08 0.00 1.06 1.02 -1.26 -1.52 120.64 116.68 2pkr n GLU 135 Ca -0.02 0.43 0.14 0.00 -0.02 0.00 0.00 57.16 57.68 2pkr n GLU 135 Cb 0.16 -1.69 0.54 0.00 -0.02 0.00 0.00 31.44 30.43 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 -0.58 -0.88 3.77 0.62 0.00 -0.71 -4.90 105.19 102.50 2pkr n GLY 136 Ca 0.01 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.52 3.04 0.01 1.61 5.04 -0.57 -5.05 117.35 118.91 2pkr s TYR 137 Ca 0.27 1.41 0.03 0.00 -2.44 0.00 0.00 57.07 56.34 2pkr s TYR 137 Cb 0.20 -3.69 -0.01 0.00 0.35 0.00 0.00 41.96 38.81 2pkr s TYR 137 CO 0.50 -1.88 -0.10 0.95 -1.34 0.00 0.00 175.55 173.67 2pkr s THR 138 N -1.13 0.82 0.27 4.34 -4.23 -1.26 -5.02 115.64 109.42 2pkr s THR 138 Ca 0.49 -0.62 0.19 0.00 -1.18 0.00 0.00 61.69 60.57 2pkr s THR 138 Cb -0.40 -0.72 0.19 0.00 1.34 0.00 0.00 72.50 72.91 2pkr s THR 138 CO 0.53 0.10 1.52 -0.74 -0.54 0.00 0.00 174.62 175.50 2pkr h HIS 139 N 5.53 0.00 0.00 3.99 2.76 -1.97 -0.86 115.15 124.60 2pkr h HIS 139 Ca -0.33 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 57.81 2pkr h HIS 139 Cb 1.18 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.14 2pkr h HIS 139 CO 0.46 0.00 -0.13 0.00 -1.30 0.00 0.00 177.93 176.96 2pkr h ALA 140 N 1.23 0.99 -1.97 5.26 0.00 -1.95 -3.42 119.26 119.41 2pkr h ALA 140 Ca 0.00 -0.12 -0.59 0.00 0.00 0.00 0.00 54.91 54.21 2pkr h ALA 140 Cb 0.65 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2pkr h ALA 140 CO 0.00 0.16 1.45 -0.51 0.00 0.00 0.00 179.25 180.35 2pkr s ASP 141 N -6.03 5.55 0.40 0.00 1.01 -0.33 -4.81 116.67 112.46 2pkr s ASP 141 Ca 0.02 1.78 0.23 0.00 0.71 0.00 0.00 52.55 55.29 2pkr s ASP 141 Cb 0.09 -2.51 0.28 0.00 1.01 0.00 0.00 42.92 41.79 2pkr s ASP 141 CO 0.61 -1.90 1.51 0.71 0.21 0.00 0.00 175.17 176.31 2pkr h THR 142 N 7.06 0.00 -3.26 -1.27 1.35 -1.90 -3.44 112.91 111.45 2pkr h THR 142 Ca -0.40 -0.99 -0.34 0.00 -0.55 0.00 0.00 66.41 64.13 2pkr h THR 142 Cb 1.22 1.90 -0.38 0.00 -1.73 0.00 0.00 68.15 69.17 2pkr h THR 142 CO 0.97 0.00 -0.71 -0.63 -0.25 0.00 0.00 175.52 174.90 2pkr s ILE 143 N -3.24 -0.15 0.30 6.82 1.01 -1.26 -1.20 121.20 123.50 2pkr s ILE 143 Ca 0.06 0.39 0.06 0.00 0.00 0.00 0.00 60.65 61.16 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 0.69 0.16 -0.02 0.27 0.00 0.00 0.00 174.94 176.04 2pkr s ILE 144 N 2.12 1.56 0.02 2.92 -4.36 0.13 -3.98 121.20 119.61 2pkr s ILE 144 Ca 0.03 -2.08 0.05 0.00 -0.26 0.00 0.00 60.65 58.39 2pkr s ILE 144 Cb -0.12 -2.59 -0.02 0.00 1.25 0.00 0.00 42.46 40.98 2pkr s ILE 144 CO -0.04 -0.19 -0.15 -0.55 0.24 0.00 0.00 174.94 174.24 2pkr s SER 145 N -3.48 1.82 -0.11 4.36 0.15 0.14 -0.40 113.70 116.19 2pkr s SER 145 Ca 0.32 -0.37 0.19 0.00 0.70 0.00 0.00 55.95 56.78 2pkr s SER 145 Cb 0.06 -0.16 0.72 0.00 -1.71 0.00 0.00 66.02 64.92 2pkr s SER 145 CO 0.13 0.13 1.63 -3.20 1.20 0.00 0.00 173.24 173.12 2pkr n ASN 146 N 2.29 4.71 -0.49 5.45 5.15 -0.66 -1.04 115.26 130.67 2pkr n ASN 146 Ca -0.16 -2.42 0.00 0.00 -0.60 0.00 0.00 54.58 51.40 2pkr n ASN 146 Cb 0.55 -0.57 0.00 0.00 -0.53 0.00 0.00 39.78 39.22 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 1.15 0.00 -2.05 5.20 0.00 -1.24 -4.77 120.51 118.80 2pkr n ALA 147 Ca 0.26 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.51 2pkr n ALA 147 Cb 0.87 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.34 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 5.42 0.16 0.00 1.04 -1.26 -3.31 113.70 111.75 2pkr s SER 148 Ca 0.00 -0.59 -0.14 0.00 0.48 0.00 0.00 55.95 55.70 2pkr s SER 148 Cb 0.00 -0.38 0.05 0.00 0.10 0.00 0.00 66.02 65.78 2pkr s SER 148 CO 0.00 -0.90 1.74 0.00 0.98 0.00 0.00 173.24 175.06 2pkr h THR 150 N 0.68 1.25 -0.63 0.00 2.02 -1.95 -1.97 112.91 112.30 2pkr h THR 150 Ca 0.18 -0.98 -0.07 0.00 0.77 0.00 0.00 66.41 66.31 2pkr h THR 150 Cb 0.12 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 2pkr h THR 150 CO -0.02 0.36 0.10 0.74 0.37 0.00 0.00 175.52 177.07 2pkr h THR 151 N 0.91 1.26 0.00 3.16 2.02 -1.71 0.02 112.91 118.57 2pkr h THR 151 Ca 0.19 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.36 2pkr h THR 151 Cb 0.40 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 2pkr h THR 151 CO 0.01 0.37 0.00 0.78 0.37 0.00 0.00 175.52 177.05 2pkr h ASN 152 N 0.97 0.00 0.15 4.18 4.21 -0.77 -1.36 115.58 122.96 2pkr h ASN 152 Ca 0.20 0.00 -0.36 0.00 1.21 0.00 0.00 56.30 57.34 2pkr h ASN 152 Cb 0.42 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.60 2pkr h ASN 152 CO 0.01 0.00 -1.97 0.00 -1.29 0.00 0.00 177.43 174.18 2pkr h LEU 154 N 0.07 -0.23 -0.89 0.00 5.85 -0.88 -3.39 115.31 115.84 2pkr h LEU 154 Ca -0.41 -0.16 0.15 0.00 0.84 0.00 0.00 57.88 58.29 2pkr h LEU 154 Cb 2.04 0.06 -0.15 0.00 0.37 0.00 0.00 40.66 42.97 2pkr h LEU 154 CO 0.09 0.30 -0.35 0.00 -0.34 0.00 0.00 178.44 178.14 2pkr h ALA 155 N -0.79 0.19 -0.50 1.25 0.00 -1.49 -0.27 119.26 117.64 2pkr h ALA 155 Ca -0.03 0.26 0.10 0.00 0.00 0.00 0.00 54.91 55.25 2pkr h ALA 155 Cb 0.38 0.91 -0.10 0.00 0.00 0.00 0.00 17.79 18.97 2pkr h ALA 155 CO 0.04 -0.60 -0.18 -1.35 0.00 0.00 0.00 179.25 177.17 2pkr h PRO 156 N -0.04 -0.06 0.00 0.00 0.11 -1.79 0.27 132.00 130.49 2pkr h PRO 156 Ca 0.34 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.42 2pkr h PRO 156 Cb 0.60 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.72 2pkr h PRO 156 CO -0.91 -0.04 -0.37 0.27 -0.21 0.00 0.00 178.00 176.73 2pkr h PHE 157 N -0.07 0.00 -0.43 0.65 -5.15 -1.53 -3.02 116.94 107.39 2pkr h PHE 157 Ca 0.24 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 57.88 2pkr h PHE 157 Cb 0.43 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.59 2pkr h PHE 157 CO -0.47 0.11 -0.24 0.28 -2.00 0.00 0.00 178.31 175.99 2pkr h VAL 158 N 0.00 1.27 -0.87 0.88 2.07 -0.29 -0.11 116.25 119.20 2pkr h VAL 158 Ca -0.01 -1.39 0.02 0.00 0.82 0.00 0.00 66.70 66.14 2pkr h VAL 158 Cb 1.09 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 2pkr h VAL 158 CO 0.01 0.47 0.57 0.50 0.02 0.00 0.00 177.57 179.14 2pkr h LYS 159 N 0.76 1.11 -0.15 1.57 3.64 -0.42 0.30 116.57 123.37 2pkr h LYS 159 Ca 0.10 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 2pkr h LYS 159 Cb 0.79 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2pkr h LYS 159 CO 0.07 0.73 -0.01 0.28 -2.27 0.00 0.00 179.45 178.25 2pkr h VAL 160 N 1.14 1.26 -0.65 2.00 2.07 -1.30 -2.06 116.25 118.73 2pkr h VAL 160 Ca 0.33 -0.89 0.03 0.00 0.82 0.00 0.00 66.70 66.99 2pkr h VAL 160 Cb -0.08 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 2pkr h VAL 160 CO -0.09 0.26 0.40 -0.07 0.02 0.00 0.00 177.57 178.09 2pkr h LEU 161 N 0.00 0.65 -0.51 2.57 3.38 -0.64 -0.30 115.31 120.46 2pkr h LEU 161 Ca 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2pkr h LEU 161 Cb 0.40 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2pkr h LEU 161 CO 0.01 0.46 0.17 -0.78 0.09 0.00 0.00 178.44 178.39 2pkr h ASP 162 N 0.79 0.74 -0.38 -0.43 3.58 -0.89 0.83 116.42 120.65 2pkr h ASP 162 Ca 0.26 -0.20 -0.09 0.00 0.42 0.00 0.00 57.03 57.42 2pkr h ASP 162 Cb 0.02 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 2pkr h ASP 162 CO -0.10 0.74 -0.12 0.06 -2.88 0.00 0.00 179.24 176.93 2pkr h GLN 163 N 0.70 0.76 0.01 0.28 3.07 -0.94 0.18 115.11 119.17 2pkr h GLN 163 Ca 0.17 -0.31 -0.23 0.00 0.09 0.00 0.00 58.65 58.37 2pkr h GLN 163 Cb 0.26 -0.04 -0.03 0.00 0.08 0.00 0.00 27.48 27.75 2pkr h GLN 163 CO -0.01 0.92 -1.15 0.87 0.09 0.00 0.00 178.83 179.54 2pkr h LYS 164 N 0.56 0.01 0.00 0.06 6.56 -1.02 -3.41 116.57 119.34 2pkr h LYS 164 Ca 0.09 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 2pkr h LYS 164 Cb 0.65 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.32 2pkr h LYS 164 CO 0.04 0.91 -0.30 1.19 -2.06 0.00 0.00 179.45 179.23 2pkr n PHE 165 N -3.30 0.00 -1.65 -1.35 3.72 0.24 -4.96 117.46 110.16 2pkr n PHE 165 Ca -0.04 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.35 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 0.91 -4.01 3.62 1.37 0.00 0.05 -2.07 105.19 105.06 2pkr n GLY 166 Ca 0.00 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.25 4.55 -0.12 -0.61 1.01 -1.26 0.07 121.20 124.59 2pkr s ILE 167 Ca -0.03 1.39 -0.27 0.00 0.00 0.00 0.00 60.65 61.74 2pkr s ILE 167 Cb 0.00 -4.36 -0.24 0.00 0.01 0.00 0.00 42.46 37.87 2pkr s ILE 167 CO 0.09 -0.52 0.78 0.40 0.00 0.00 0.00 174.94 175.69 2pkr h ILE 168 N 5.79 1.65 -2.59 2.92 2.04 -1.29 -3.48 117.51 122.55 2pkr h ILE 168 Ca -0.22 -2.13 0.09 0.00 1.00 0.00 0.00 64.86 63.59 2pkr h ILE 168 Cb 1.07 3.06 -0.11 0.00 -0.74 0.00 0.00 36.82 40.10 2pkr h ILE 168 CO 1.00 0.54 0.38 -1.59 0.00 0.00 0.00 178.15 178.48 2pkr s LYS 169 N -2.41 1.17 0.09 2.37 -2.85 -1.20 -4.83 119.74 112.08 2pkr s LYS 169 Ca -0.18 -0.53 -0.27 0.00 -1.00 0.00 0.00 55.97 54.00 2pkr s LYS 169 Cb -0.02 0.47 0.08 0.00 -2.06 0.00 0.00 37.83 36.30 2pkr s LYS 169 CO 0.65 -0.52 1.02 0.20 0.10 0.00 0.00 175.35 176.80 2pkr s GLY 170 N -2.72 -0.30 0.07 0.59 0.00 0.36 -0.98 107.32 104.34 2pkr s GLY 170 Ca 0.07 0.39 0.02 0.00 0.00 0.00 0.00 44.72 45.20 2pkr s GLY 170 CO -0.05 0.08 -0.07 -1.08 0.00 0.00 0.00 173.10 171.98 2pkr s THR 171 N -3.07 0.64 0.00 0.90 -1.32 0.16 -2.92 115.64 110.03 2pkr s THR 171 Ca 0.12 -1.56 -0.05 0.00 -1.21 0.00 0.00 61.69 58.98 2pkr s THR 171 Cb -0.00 -1.22 -0.00 0.00 -1.51 0.00 0.00 72.50 69.77 2pkr s THR 171 CO -0.01 -0.65 0.10 0.00 -2.21 0.00 0.00 174.62 171.85 2pkr s MET 172 N -2.84 0.41 -0.05 7.08 0.23 -0.04 -1.42 119.30 122.67 2pkr s MET 172 Ca 0.02 -0.39 0.01 0.00 -1.03 0.00 0.00 55.69 54.31 2pkr s MET 172 Cb -0.01 0.17 0.02 0.00 -1.53 0.00 0.00 34.83 33.47 2pkr s MET 172 CO -0.02 -0.09 -0.04 0.99 -2.03 0.00 0.00 175.02 173.83 2pkr s THR 173 N -1.24 0.53 -0.16 3.16 2.01 -0.01 -1.42 115.64 118.50 2pkr s THR 173 Ca -0.13 -0.10 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 2pkr s THR 173 Cb -0.07 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 71.86 2pkr s THR 173 CO 0.01 0.23 -0.10 0.28 -0.69 0.00 0.00 174.62 174.35 2pkr s THR 174 N 1.02 3.16 -0.59 -0.82 -1.32 -0.95 0.35 115.64 116.49 2pkr s THR 174 Ca -0.09 -0.60 -0.20 0.00 -1.21 0.00 0.00 61.69 59.59 2pkr s THR 174 Cb -0.14 -2.37 0.09 0.00 -1.51 0.00 0.00 72.50 68.57 2pkr s THR 174 CO -0.01 0.49 0.74 -0.89 -2.21 0.00 0.00 174.62 172.75 2pkr s THR 175 N 0.74 4.74 -0.10 5.08 2.01 -0.32 0.21 115.64 128.00 2pkr s THR 175 Ca -0.04 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.14 2pkr s THR 175 Cb -0.15 -4.50 -0.03 0.00 0.01 0.00 0.00 72.50 67.83 2pkr s THR 175 CO 0.02 -1.13 -0.05 -2.28 -0.69 0.00 0.00 174.62 170.49 2pkr s HIS 176 N 2.92 3.01 0.81 4.92 5.04 -0.07 -1.59 115.29 130.32 2pkr s HIS 176 Ca 0.14 -0.05 -0.13 0.00 -1.54 0.00 0.00 55.06 53.48 2pkr s HIS 176 Cb -0.22 -1.80 0.08 0.00 0.04 0.00 0.00 32.58 30.68 2pkr s HIS 176 CO 0.08 0.24 1.20 -1.12 -2.34 0.00 0.00 174.74 172.80 2pkr s SER 177 N -0.45 3.61 0.84 9.88 0.01 -1.25 -0.57 113.70 125.77 2pkr s SER 177 Ca 0.07 2.35 -0.11 0.00 1.31 0.00 0.00 55.95 59.57 2pkr s SER 177 Cb -0.12 -2.59 0.10 0.00 0.21 0.00 0.00 66.02 63.62 2pkr s SER 177 CO 0.02 -2.66 1.09 -0.72 0.41 0.00 0.00 173.24 171.39 2pkr s TYR 178 N -2.17 2.57 0.16 2.43 -0.85 -0.51 -4.71 117.35 114.28 2pkr s TYR 178 Ca 0.73 1.22 -0.01 0.00 -0.52 0.00 0.00 57.07 58.48 2pkr s TYR 178 Cb -0.28 -3.14 -0.04 0.00 0.38 0.00 0.00 41.96 38.88 2pkr s TYR 178 CO 0.51 -2.07 0.09 0.95 -1.52 0.00 0.00 175.55 173.50 2pkr s THR 179 N -3.04 0.08 0.08 -3.49 -4.23 -1.26 -4.70 115.64 99.07 2pkr s THR 179 Ca 0.62 -1.95 0.16 0.00 -1.18 0.00 0.00 61.69 59.33 2pkr s THR 179 Cb -0.16 -2.26 0.16 0.00 1.34 0.00 0.00 72.50 71.57 2pkr s THR 179 CO 0.56 -0.25 1.39 1.23 -0.54 0.00 0.00 174.62 177.01 2pkr h GLY 180 N 2.74 0.00 2.00 3.99 0.00 -1.98 0.80 103.07 110.62 2pkr h GLY 180 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2pkr h GLY 180 CO 0.56 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.44 2pkr n ASP 181 N -2.16 0.54 -4.93 0.19 2.03 -1.26 -4.79 116.55 106.17 2pkr n ASP 181 Ca -0.01 0.56 -0.25 0.00 0.52 0.00 0.00 54.79 55.61 2pkr n ASP 181 Cb 0.31 -0.70 -0.00 0.00 -0.72 0.00 0.00 41.12 40.00 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 -3.10 3.43 -0.04 -0.67 -0.21 0.27 -4.95 119.66 114.40 2pkr s GLN 182 Ca 0.11 -0.19 -0.13 0.00 0.02 0.00 0.00 55.36 55.17 2pkr s GLN 182 Cb 0.14 -2.55 -0.05 0.00 1.00 0.00 0.00 33.01 31.54 2pkr s GLN 182 CO 0.54 -0.03 0.34 1.03 -2.12 0.00 0.00 175.29 175.04 2pkr s ARG 183 N -4.49 3.81 0.16 2.91 1.81 -1.09 -4.95 118.95 117.10 2pkr s ARG 183 Ca 0.44 0.27 -0.14 0.00 -1.72 0.00 0.00 55.73 54.57 2pkr s ARG 183 Cb -0.10 -3.22 0.04 0.00 -0.45 0.00 0.00 34.95 31.22 2pkr s ARG 183 CO 0.39 0.70 1.73 1.25 -0.68 0.00 0.00 175.30 178.69 2pkr h LEU 184 N 4.84 0.67 -8.45 2.53 5.85 -1.90 -0.89 115.31 117.96 2pkr h LEU 184 Ca -0.52 -0.14 -0.35 0.00 0.84 0.00 0.00 57.88 57.71 2pkr h LEU 184 Cb 1.22 -0.17 -0.19 0.00 0.37 0.00 0.00 40.66 41.89 2pkr h LEU 184 CO 0.61 0.62 -0.75 -0.76 -0.34 0.00 0.00 178.44 177.83 2pkr s LEU 185 N -9.85 2.37 -0.49 2.25 1.43 -1.26 -3.66 118.68 109.46 2pkr s LEU 185 Ca -0.13 -0.75 -0.44 0.00 -1.03 0.00 0.00 54.13 51.78 2pkr s LEU 185 Cb 0.12 -0.38 -0.19 0.00 0.03 0.00 0.00 46.19 45.77 2pkr s LEU 185 CO 0.77 -0.20 2.07 0.47 0.23 0.00 0.00 176.35 179.69 2pkr n ASP 186 N 0.77 0.78 -4.00 2.29 9.92 -1.25 -4.41 116.55 120.65 2pkr n ASP 186 Ca -0.18 0.72 -0.10 0.00 -0.53 0.00 0.00 54.79 54.70 2pkr n ASP 186 Cb 0.57 -0.89 -0.07 0.00 -0.64 0.00 0.00 41.12 40.09 2pkr n ASP 186 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2pkr s ALA 187 N 5.66 0.02 0.32 2.24 0.00 0.02 -4.94 121.76 125.08 2pkr s ALA 187 Ca 1.17 -0.96 -0.27 0.00 0.00 0.00 0.00 51.96 51.89 2pkr s ALA 187 Cb -1.48 1.02 -0.13 0.00 0.00 0.00 0.00 23.12 22.53 2pkr s ALA 187 CO 0.67 -0.73 1.09 -1.13 0.00 0.00 0.00 175.76 175.65 2pkr n SER 188 N -0.30 1.72 -3.61 0.00 3.41 -1.26 -4.48 113.62 109.09 2pkr n SER 188 Ca -0.04 1.17 -0.07 0.00 -0.26 0.00 0.00 58.87 59.67 2pkr n SER 188 Cb 0.63 -1.35 -0.05 0.00 -0.26 0.00 0.00 64.21 63.17 2pkr n SER 188 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2pkr s HIS 190 N -1.10 -0.25 0.27 7.33 5.04 -1.26 -4.89 115.29 120.43 2pkr s HIS 190 Ca 0.58 0.47 0.17 0.00 -1.54 0.00 0.00 55.06 54.75 2pkr s HIS 190 Cb -0.64 0.46 0.75 0.00 0.04 0.00 0.00 32.58 33.19 2pkr s HIS 190 CO 0.60 -0.21 1.79 0.07 -2.34 0.00 0.00 174.74 174.65 2pkr h ARG 191 N 2.65 0.00 -4.83 2.88 -0.00 -1.97 -3.36 114.38 109.75 2pkr h ARG 191 Ca -0.17 0.00 -0.69 0.00 -0.00 0.00 0.00 59.98 59.11 2pkr h ARG 191 Cb 1.17 0.00 -0.19 0.00 -0.00 0.00 0.00 29.97 30.96 2pkr h ARG 191 CO 0.25 0.37 0.04 0.34 -0.00 0.00 0.00 179.97 180.97 2pkr s ASP 192 N -6.59 6.21 0.64 0.08 -1.08 -1.26 -4.93 116.67 109.73 2pkr s ASP 192 Ca -0.01 -1.11 0.30 0.00 -0.52 0.00 0.00 52.55 51.21 2pkr s ASP 192 Cb 0.12 -2.29 1.63 0.00 -1.46 0.00 0.00 42.92 40.93 2pkr s ASP 192 CO 0.69 -0.94 1.95 -0.07 0.52 0.00 0.00 175.17 177.32 2pkr h LEU 193 N 9.72 0.00 0.17 -1.34 3.38 -1.99 -1.80 115.31 123.45 2pkr h LEU 193 Ca -0.28 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.37 2pkr h LEU 193 Cb 1.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.85 2pkr h LEU 193 CO 1.00 0.00 -1.56 0.03 0.09 0.00 0.00 178.44 178.01 2pkr h ARG 194 N 0.00 0.36 0.00 1.13 3.08 -1.92 -3.25 114.38 113.78 2pkr h ARG 194 Ca 0.06 -0.61 0.00 0.00 0.07 0.00 0.00 59.98 59.50 2pkr h ARG 194 Cb 0.74 0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.02 2pkr h ARG 194 CO -0.00 1.29 0.00 0.54 -1.07 0.00 0.00 179.97 180.73 2pkr n ARG 195 N -3.75 0.37 0.14 0.04 1.74 -0.73 -2.23 116.66 112.25 2pkr n ARG 195 Ca -0.23 0.08 0.03 0.00 -0.77 0.00 0.00 57.85 56.95 2pkr n ARG 195 Cb 1.01 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 31.00 2pkr n ARG 195 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pkr h ALA 196 N 3.00 0.69 -2.66 7.54 0.00 -1.44 -2.88 119.26 123.52 2pkr h ALA 196 Ca 0.00 -0.46 -0.49 0.00 0.00 0.00 0.00 54.91 53.96 2pkr h ALA 196 Cb 0.13 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2pkr h ALA 196 CO 0.00 0.63 0.42 1.03 0.00 0.00 0.00 179.25 181.33 2pkr s ARG 197 N -3.02 4.52 -0.45 0.00 1.81 -0.94 -0.80 118.95 120.06 2pkr s ARG 197 Ca 0.04 1.60 -0.40 0.00 -1.72 0.00 0.00 55.73 55.25 2pkr s ARG 197 Cb 0.08 -2.95 -0.17 0.00 -0.45 0.00 0.00 34.95 31.46 2pkr s ARG 197 CO 0.74 0.16 1.87 0.00 -0.68 0.00 0.00 175.30 177.39 2pkr n ALA 198 N 0.75 0.07 0.08 2.13 0.00 -1.26 -4.47 120.51 117.81 2pkr n ALA 198 Ca 0.01 0.20 -0.00 0.00 0.00 0.00 0.00 53.44 53.65 2pkr n ALA 198 Cb 0.47 -1.85 0.30 0.00 0.00 0.00 0.00 19.45 18.38 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 7.73 1.32 -0.01 0.00 0.00 -1.22 -2.88 119.26 124.20 2pkr h ALA 199 Ca -0.12 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2pkr h ALA 199 Cb 1.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2pkr h ALA 199 CO 0.97 0.46 -0.03 0.00 0.00 0.00 0.00 179.25 180.64 2pkr n LEU 201 N -0.28 0.36 -4.33 0.00 4.77 -1.10 -4.80 117.00 111.63 2pkr n LEU 201 Ca 0.19 -0.31 -0.17 0.00 -0.03 0.00 0.00 56.01 55.69 2pkr n LEU 201 Cb 0.29 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.28 2pkr n LEU 201 CO 0.18 0.09 -0.38 0.20 -1.33 0.00 0.00 177.39 176.15 2pkr s ASN 202 N -2.70 2.15 -0.33 -1.43 -0.87 -1.14 -5.06 114.94 105.57 2pkr s ASN 202 Ca 0.01 -1.11 -0.13 0.00 -1.57 0.00 0.00 52.86 50.06 2pkr s ASN 202 Cb 0.09 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.25 41.24 2pkr s ASN 202 CO 0.53 -0.36 0.23 -0.63 -2.57 0.00 0.00 177.10 174.30 2pkr s ILE 203 N -3.22 5.28 -0.37 0.60 1.01 -1.26 -4.01 121.20 119.22 2pkr s ILE 203 Ca 0.24 -0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 2pkr s ILE 203 Cb 0.03 -3.68 0.08 0.00 0.01 0.00 0.00 42.46 38.90 2pkr s ILE 203 CO 0.07 0.03 0.15 -0.69 0.00 0.00 0.00 174.94 174.49 2pkr s VAL 204 N 1.73 3.48 0.40 2.92 1.01 0.20 -4.92 120.40 125.21 2pkr s VAL 204 Ca 0.06 -1.61 -0.25 0.00 0.00 0.00 0.00 61.98 60.19 2pkr s VAL 204 Cb -0.17 -3.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.95 2pkr s VAL 204 CO 0.11 -0.43 1.12 -2.84 0.00 0.00 0.00 175.10 173.05 2pkr s PRO 205 N 1.27 4.09 0.00 2.72 0.02 -1.26 -0.38 135.00 141.47 2pkr s PRO 205 Ca 0.02 1.70 0.00 0.00 0.02 0.00 0.00 61.00 62.74 2pkr s PRO 205 Cb -0.22 -2.62 0.00 0.00 0.02 0.00 0.00 34.50 31.69 2pkr s PRO 205 CO -0.01 -0.25 0.00 -2.37 -0.33 0.00 0.00 177.00 174.04 2pkr n THR 206 N 0.01 0.00 -3.99 0.99 5.66 0.64 -4.71 114.28 112.88 2pkr n THR 206 Ca 0.05 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.71 2pkr n THR 206 Cb 0.48 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.11 2pkr n THR 206 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2pkr s SER 207 N 2.00 4.55 -0.78 1.09 0.15 -1.26 -0.74 113.70 118.70 2pkr s SER 207 Ca 0.00 -1.23 0.02 0.00 0.70 0.00 0.00 55.95 55.44 2pkr s SER 207 Cb 0.00 -1.63 0.30 0.00 -1.71 0.00 0.00 66.02 62.98 2pkr s SER 207 CO 0.00 -0.20 1.17 1.07 1.20 0.00 0.00 173.24 176.48 2pkr n THR 208 N 4.55 3.91 0.00 6.45 5.66 -1.26 -4.50 114.28 129.09 2pkr n THR 208 Ca -0.14 -5.63 0.00 0.00 -3.05 0.00 0.00 64.05 55.23 2pkr n THR 208 Cb 0.44 -1.77 0.00 0.00 -1.55 0.00 0.00 70.33 67.45 2pkr n THR 208 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2pkr n GLY 209 N 0.41 0.00 0.57 1.09 0.00 -1.26 -0.36 105.19 105.64 2pkr n GLY 209 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 2.43 0.00 4.61 0.00 -1.26 -4.54 120.51 121.75 2pkr n ALA 210 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2pkr n ALA 210 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.79 2pkr n ALA 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pkr n ALA 211 N -2.46 0.00 -0.01 0.00 0.00 0.51 0.93 120.51 119.47 2pkr n ALA 211 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2pkr n ALA 211 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.78 2pkr n ALA 211 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pkr n LYS 212 N -0.57 0.07 0.21 0.00 4.76 -1.26 -3.86 118.16 117.50 2pkr n LYS 212 Ca 0.00 0.02 0.09 0.00 -2.87 0.00 0.00 58.31 55.55 2pkr n LYS 212 Cb 0.00 -0.91 0.46 0.00 -1.84 0.00 0.00 35.03 32.74 2pkr n LYS 212 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2pkr h ALA 213 N -0.04 1.24 -0.20 7.82 0.00 0.31 0.66 119.26 129.05 2pkr h ALA 213 Ca -0.07 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 2pkr h ALA 213 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2pkr h ALA 213 CO -0.02 -0.24 -0.53 0.28 0.00 0.00 0.00 179.25 178.74 2pkr h VAL 214 N 0.00 1.31 0.00 0.00 2.07 -1.66 -1.58 116.25 116.40 2pkr h VAL 214 Ca 0.00 -1.76 -0.02 0.00 0.82 0.00 0.00 66.70 65.74 2pkr h VAL 214 Cb 0.63 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 2pkr h VAL 214 CO 0.00 0.55 -0.08 0.00 0.02 0.00 0.00 177.57 178.06 2pkr h ALA 215 N 0.96 1.08 -0.37 1.67 0.00 0.16 0.19 119.26 122.96 2pkr h ALA 215 Ca 0.01 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 2pkr h ALA 215 Cb 1.07 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2pkr h ALA 215 CO 0.10 0.11 -0.35 -0.07 0.00 0.00 0.00 179.25 179.04 2pkr h LEU 216 N 0.00 0.94 0.00 0.00 3.38 -1.23 -2.58 115.31 115.81 2pkr h LEU 216 Ca -0.00 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2pkr h LEU 216 Cb 0.45 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2pkr h LEU 216 CO 0.01 1.21 -0.78 1.33 0.09 0.00 0.00 178.44 180.30 2pkr n VAL 217 N -4.12 0.05 -3.43 1.22 0.24 -0.99 -4.45 118.33 106.86 2pkr n VAL 217 Ca -0.03 -0.07 -0.27 0.00 -2.04 0.00 0.00 64.34 61.94 2pkr n VAL 217 Cb 0.52 0.43 -0.10 0.00 -1.47 0.00 0.00 33.84 33.23 2pkr n VAL 217 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2pkr n LEU 218 N -1.63 0.14 -0.29 1.34 4.77 0.64 -4.55 117.00 117.43 2pkr n LEU 218 Ca 0.04 -4.55 0.34 0.00 -0.03 0.00 0.00 56.01 51.81 2pkr n LEU 218 Cb 0.36 0.37 0.73 0.00 -2.33 0.00 0.00 43.42 42.55 2pkr n LEU 218 CO 0.39 1.88 1.31 -0.65 -1.33 0.00 0.00 177.39 178.99 2pkr h PRO 219 N 5.34 0.00 0.00 3.23 0.11 -1.68 -0.83 132.00 138.17 2pkr h PRO 219 Ca 0.23 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.33 2pkr h PRO 219 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 2pkr h PRO 219 CO 0.44 0.00 -0.02 -0.97 -0.21 0.00 0.00 178.00 177.24 2pkr h ASN 220 N 0.00 0.00 -0.21 -2.05 -1.24 -1.94 -2.18 115.58 107.96 2pkr h ASN 220 Ca 0.53 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.54 2pkr h ASN 220 Cb 2.25 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.30 2pkr h ASN 220 CO -0.01 0.02 0.00 0.18 -1.29 0.00 0.00 177.43 176.33 2pkr n LEU 221 N -3.16 2.04 -4.64 0.34 7.99 -0.32 -4.94 117.00 114.31 2pkr n LEU 221 Ca -0.01 -0.86 -0.48 0.00 -0.01 0.00 0.00 56.01 54.65 2pkr n LEU 221 Cb 0.19 -0.13 -0.05 0.00 -0.11 0.00 0.00 43.42 43.33 2pkr n LEU 221 CO 0.24 0.43 1.08 1.17 -1.51 0.00 0.00 177.39 178.80 2pkr n LYS 222 N 0.57 1.82 -0.92 3.23 3.00 -0.82 -1.56 118.16 123.48 2pkr n LYS 222 Ca 0.17 0.65 0.00 0.00 -0.00 0.00 0.00 58.31 59.13 2pkr n LYS 222 Cb 0.39 -2.37 0.00 0.00 0.00 0.00 0.00 35.03 33.05 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 3.03 0.20 0.02 3.14 0.00 -1.26 -4.84 105.19 105.47 2pkr n GLY 223 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.70 0.39 -4.35 1.61 5.02 -0.60 -5.00 118.16 114.54 2pkr n LYS 224 Ca 0.00 -0.08 -0.19 0.00 -2.02 0.00 0.00 58.31 56.02 2pkr n LYS 224 Cb 0.26 -1.54 -0.10 0.00 -0.02 0.00 0.00 35.03 33.62 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 -4.00 2.54 0.20 -0.35 1.43 -1.26 -0.48 118.68 116.77 2pkr s LEU 225 Ca -0.01 -1.00 -0.23 0.00 -1.03 0.00 0.00 54.13 51.86 2pkr s LEU 225 Cb 0.14 -0.70 0.05 0.00 0.03 0.00 0.00 46.19 45.71 2pkr s LEU 225 CO 0.87 -0.15 0.79 0.21 0.23 0.00 0.00 176.35 178.30 2pkr s ASN 226 N -3.24 -0.28 0.00 2.29 2.47 -1.15 -4.73 114.94 110.30 2pkr s ASN 226 Ca 0.22 -0.42 0.00 0.00 0.42 0.00 0.00 52.86 53.08 2pkr s ASN 226 Cb -0.01 0.61 0.00 0.00 -1.45 0.00 0.00 41.25 40.40 2pkr s ASN 226 CO 0.07 -1.10 0.00 0.61 -3.72 0.00 0.00 177.10 172.96 2pkr n GLY 227 N -0.44 -1.31 3.42 1.21 0.00 -1.26 -0.86 105.19 105.96 2pkr n GLY 227 Ca -0.07 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.50 0.00 0.05 -0.61 -5.25 -0.51 -4.62 121.20 107.77 2pkr s ILE 228 Ca 0.00 -1.70 0.08 0.00 -0.99 0.00 0.00 60.65 58.04 2pkr s ILE 228 Cb 0.00 -2.51 -0.03 0.00 2.95 0.00 0.00 42.46 42.87 2pkr s ILE 228 CO 0.00 0.00 -0.22 0.00 -1.79 0.00 0.00 174.94 172.93 2pkr s ALA 229 N -3.50 1.85 -0.31 2.27 0.00 0.08 -2.23 121.76 119.91 2pkr s ALA 229 Ca 0.32 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 51.19 2pkr s ALA 229 Cb 0.01 -0.35 0.09 0.00 0.00 0.00 0.00 23.12 22.87 2pkr s ALA 229 CO 0.18 0.41 0.02 -0.51 0.00 0.00 0.00 175.76 175.86 2pkr s LEU 230 N -1.29 3.99 0.08 0.00 1.43 0.13 -0.26 118.68 122.77 2pkr s LEU 230 Ca 0.08 -1.87 -0.30 0.00 -1.03 0.00 0.00 54.13 51.01 2pkr s LEU 230 Cb -0.09 -1.47 -0.06 0.00 0.03 0.00 0.00 46.19 44.60 2pkr s LEU 230 CO 0.02 -0.34 1.18 -0.13 0.23 0.00 0.00 176.35 177.31 2pkr s ARG 231 N 1.08 4.46 0.23 1.70 1.81 0.49 -0.89 118.95 127.84 2pkr s ARG 231 Ca 0.06 1.76 0.08 0.00 -1.72 0.00 0.00 55.73 55.91 2pkr s ARG 231 Cb -0.19 -3.33 -0.05 0.00 -0.45 0.00 0.00 34.95 30.93 2pkr s ARG 231 CO -0.10 -0.20 -0.13 0.14 -0.68 0.00 0.00 175.30 174.34 2pkr s VAL 232 N 0.83 1.81 -0.12 3.52 -7.23 0.26 0.59 120.40 120.05 2pkr s VAL 232 Ca 0.57 -2.21 -0.02 0.00 -1.81 0.00 0.00 61.98 58.50 2pkr s VAL 232 Cb -0.29 -2.19 -0.08 0.00 0.56 0.00 0.00 36.38 34.38 2pkr s VAL 232 CO 0.30 -0.49 1.56 -2.65 -0.31 0.00 0.00 175.10 173.51 2pkr n PRO 233 N -0.47 0.78 -4.76 4.82 -0.02 -1.26 -2.88 135.00 131.22 2pkr n PRO 233 Ca -0.07 -0.49 -0.25 0.00 -2.02 0.00 0.00 63.50 60.68 2pkr n PRO 233 Cb 0.61 -1.79 -0.15 0.00 -0.02 0.00 0.00 33.50 32.15 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 2.71 1.45 -0.26 3.45 -4.23 -1.26 -4.99 115.64 112.50 2pkr s THR 234 Ca 0.22 -0.89 0.28 0.00 -1.18 0.00 0.00 61.69 60.13 2pkr s THR 234 Cb 0.10 -1.23 0.33 0.00 1.34 0.00 0.00 72.50 73.04 2pkr s THR 234 CO -0.00 0.32 1.82 1.55 -0.54 0.00 0.00 174.62 177.76 2pkr h PRO 235 N 5.43 0.00 -1.46 3.99 0.13 -1.87 -1.34 132.00 136.87 2pkr h PRO 235 Ca -0.38 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.86 2pkr h PRO 235 Cb 1.15 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.04 2pkr h PRO 235 CO 0.47 0.00 0.62 1.21 -0.23 0.00 0.00 178.00 180.07 2pkr s ASN 236 N -5.27 -0.31 0.00 1.44 2.47 -1.26 -4.71 114.94 107.30 2pkr s ASN 236 Ca 0.04 0.34 0.00 0.00 0.42 0.00 0.00 52.86 53.66 2pkr s ASN 236 Cb 0.09 0.26 0.00 0.00 -1.45 0.00 0.00 41.25 40.15 2pkr s ASN 236 CO 0.54 -0.28 0.00 0.52 -3.72 0.00 0.00 177.10 174.16 2pkr n VAL 237 N 0.71 -0.64 -4.45 -5.21 0.31 -1.26 -4.89 118.33 102.91 2pkr n VAL 237 Ca -0.08 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.03 2pkr n VAL 237 Cb 0.58 -0.64 -0.05 0.00 -0.91 0.00 0.00 33.84 32.82 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 -0.08 1.90 -3.71 4.52 7.64 0.30 -3.91 113.62 120.29 2pkr n SER 238 Ca 0.00 -2.65 -0.12 0.00 1.01 0.00 0.00 58.87 57.11 2pkr n SER 238 Cb 0.00 0.58 -0.10 0.00 -1.01 0.00 0.00 64.21 63.68 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 -2.58 -0.01 -0.09 0.44 0.11 -0.62 -1.66 120.40 115.99 2pkr s VAL 239 Ca 0.10 0.04 -0.04 0.00 -2.93 0.00 0.00 61.98 59.15 2pkr s VAL 239 Cb 0.00 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 2pkr s VAL 239 CO 0.07 0.02 0.09 0.68 -3.33 0.00 0.00 175.10 172.62 2pkr s VAL 240 N 0.84 4.99 -0.31 2.04 -7.23 0.23 -1.17 120.40 119.80 2pkr s VAL 240 Ca -0.05 -0.04 0.01 0.00 -1.81 0.00 0.00 61.98 60.09 2pkr s VAL 240 Cb -0.06 -3.17 0.07 0.00 0.56 0.00 0.00 36.38 33.78 2pkr s VAL 240 CO -0.07 0.57 0.00 -0.62 -0.31 0.00 0.00 175.10 174.67 2pkr s ASP 241 N -1.11 4.77 -0.16 4.85 2.15 0.16 -1.10 116.67 126.22 2pkr s ASP 241 Ca 0.16 -1.60 -0.04 0.00 0.43 0.00 0.00 52.55 51.50 2pkr s ASP 241 Cb -0.12 -1.66 -0.03 0.00 -0.30 0.00 0.00 42.92 40.82 2pkr s ASP 241 CO 0.05 -0.30 -0.02 -0.22 -0.17 0.00 0.00 175.17 174.51 2pkr s LEU 242 N 1.11 3.33 -0.11 -1.34 2.96 0.03 -0.83 118.68 123.83 2pkr s LEU 242 Ca -0.01 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 2pkr s LEU 242 Cb -0.20 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.69 2pkr s LEU 242 CO -0.04 0.17 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.23 2pkr s VAL 243 N 0.36 2.05 -0.02 1.68 1.01 -0.51 -0.40 120.40 124.59 2pkr s VAL 243 Ca -0.03 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.91 2pkr s VAL 243 Cb -0.14 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.46 2pkr s VAL 243 CO 0.03 0.55 0.09 0.68 0.00 0.00 0.00 175.10 176.45 2pkr s VAL 244 N 0.48 0.04 -0.15 2.92 -7.23 -0.39 -0.66 120.40 115.41 2pkr s VAL 244 Ca -0.15 -0.36 -0.15 0.00 -1.81 0.00 0.00 61.98 59.51 2pkr s VAL 244 Cb -0.17 -0.25 -0.04 0.00 0.56 0.00 0.00 36.38 36.47 2pkr s VAL 244 CO 0.06 -0.20 0.36 -1.58 -0.31 0.00 0.00 175.10 173.43 2pkr s GLN 245 N -0.62 4.27 0.24 4.82 0.74 -0.15 -0.56 119.66 128.39 2pkr s GLN 245 Ca -0.07 0.22 0.08 0.00 0.05 0.00 0.00 55.36 55.64 2pkr s GLN 245 Cb -0.04 -3.45 -0.04 0.00 1.10 0.00 0.00 33.01 30.58 2pkr s GLN 245 CO 0.00 0.17 0.06 0.14 -0.55 0.00 0.00 175.29 175.11 2pkr s VAL 246 N 0.65 3.82 0.08 1.34 -7.23 -0.28 -0.80 120.40 117.99 2pkr s VAL 246 Ca 0.20 -1.63 0.08 0.00 -1.81 0.00 0.00 61.98 58.82 2pkr s VAL 246 Cb -0.14 -3.02 -0.17 0.00 0.56 0.00 0.00 36.38 33.61 2pkr s VAL 246 CO 0.06 -0.29 1.30 0.77 -0.31 0.00 0.00 175.10 176.63 2pkr h SER 247 N 2.00 0.00 -3.75 4.85 4.64 0.14 -3.44 113.55 117.99 2pkr h SER 247 Ca -0.46 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.20 2pkr h SER 247 Cb 1.23 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.15 2pkr h SER 247 CO 0.60 0.93 -0.39 -0.75 -0.87 0.00 0.00 176.83 176.34 2pkr s LYS 248 N -2.75 3.72 0.51 4.77 2.20 -0.88 -5.06 119.74 122.26 2pkr s LYS 248 Ca 0.01 -0.38 -0.21 0.00 -0.36 0.00 0.00 55.97 55.03 2pkr s LYS 248 Cb 0.10 -3.74 -0.08 0.00 -1.51 0.00 0.00 37.83 32.59 2pkr s LYS 248 CO 0.81 -0.37 0.89 1.63 -0.36 0.00 0.00 175.35 177.95 2pkr n LYS 249 N 5.21 1.02 -2.25 4.03 5.02 -1.26 -4.88 118.16 125.05 2pkr n LYS 249 Ca -0.11 0.38 -0.03 0.00 -2.02 0.00 0.00 58.31 56.52 2pkr n LYS 249 Cb 0.50 -2.01 0.01 0.00 -0.02 0.00 0.00 35.03 33.51 2pkr n LYS 249 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2pkr n THR 250 N -1.17 0.00 -3.99 -0.18 5.66 -0.16 -5.03 114.28 109.43 2pkr n THR 250 Ca 0.11 -0.38 -0.08 0.00 -3.05 0.00 0.00 64.05 60.65 2pkr n THR 250 Cb 0.44 0.40 -0.09 0.00 -1.55 0.00 0.00 70.33 69.53 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 -5.69 0.39 0.16 1.09 -0.71 -1.26 -4.61 117.98 107.35 2pkr s PHE 251 Ca 0.07 -0.85 -0.25 0.00 -1.04 0.00 0.00 56.93 54.86 2pkr s PHE 251 Cb -0.02 -0.23 0.03 0.00 -1.21 0.00 0.00 43.02 41.59 2pkr s PHE 251 CO 0.04 -0.50 1.58 0.00 -1.34 0.00 0.00 175.22 175.01 2pkr h ALA 252 N 2.89 -0.32 -0.66 1.99 0.00 -1.89 -1.64 119.26 119.63 2pkr h ALA 252 Ca -0.34 0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.72 2pkr h ALA 252 Cb 1.18 0.80 -0.04 0.00 0.00 0.00 0.00 17.79 19.73 2pkr h ALA 252 CO 0.59 -0.80 0.44 0.93 0.00 0.00 0.00 179.25 180.41 2pkr h GLU 253 N -0.30 0.61 -0.29 0.00 3.07 -1.96 0.10 114.58 115.80 2pkr h GLU 253 Ca 0.15 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.86 2pkr h GLU 253 Cb 0.57 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 2pkr h GLU 253 CO -0.55 0.40 -0.25 1.49 -1.40 0.00 0.00 179.01 178.70 2pkr h GLU 254 N 0.63 0.68 -0.20 2.33 4.81 -1.84 -0.66 114.58 120.33 2pkr h GLU 254 Ca 0.29 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2pkr h GLU 254 Cb 0.34 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2pkr h GLU 254 CO -0.09 0.96 0.13 0.28 -0.73 0.00 0.00 179.01 179.55 2pkr h VAL 255 N 0.43 1.07 -0.92 0.32 2.07 -0.31 -0.87 116.25 118.04 2pkr h VAL 255 Ca 0.05 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.48 2pkr h VAL 255 Cb 0.81 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 2pkr h VAL 255 CO 0.06 0.07 0.57 0.78 0.02 0.00 0.00 177.57 179.08 2pkr h ASN 256 N 0.25 0.90 -0.64 0.57 -0.26 -0.91 -1.67 115.58 113.83 2pkr h ASN 256 Ca 0.07 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.83 2pkr h ASN 256 Cb 0.00 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.06 2pkr h ASN 256 CO -0.01 0.57 0.39 0.00 -1.06 0.00 0.00 177.43 177.32 2pkr h ALA 257 N 1.43 0.81 -0.67 -0.83 0.00 -0.63 -1.21 119.26 118.16 2pkr h ALA 257 Ca 0.40 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.30 2pkr h ALA 257 Cb 0.20 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2pkr h ALA 257 CO -0.18 0.27 0.44 0.00 0.00 0.00 0.00 179.25 179.78 2pkr h ALA 258 N 1.21 1.69 -0.13 0.00 0.00 -0.27 -1.14 119.26 120.61 2pkr h ALA 258 Ca 0.23 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.90 2pkr h ALA 258 Cb -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2pkr h ALA 258 CO -0.04 0.22 -0.75 0.74 0.00 0.00 0.00 179.25 179.41 2pkr h PHE 259 N 0.74 0.90 -0.67 0.00 0.04 -0.63 -2.91 116.94 114.41 2pkr h PHE 259 Ca 0.28 -0.40 -0.05 0.00 2.80 0.00 0.00 57.97 60.60 2pkr h PHE 259 Cb 0.18 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 2pkr h PHE 259 CO -0.00 1.20 0.21 0.00 -0.60 0.00 0.00 178.31 179.13 2pkr h ARG 260 N 0.46 1.03 0.23 1.51 3.08 -0.35 0.13 114.38 120.47 2pkr h ARG 260 Ca -0.04 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 59.80 2pkr h ARG 260 Cb 1.36 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 31.23 2pkr h ARG 260 CO 0.15 0.90 -0.42 0.93 -1.07 0.00 0.00 179.97 180.46 2pkr h GLU 261 N 0.97 -0.70 -0.78 0.04 5.08 -1.24 0.55 114.58 118.51 2pkr h GLU 261 Ca 0.22 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.66 2pkr h GLU 261 Cb 0.29 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 2pkr h GLU 261 CO -0.01 -0.46 0.51 0.77 -1.00 0.00 0.00 179.01 178.82 2pkr h SER 262 N -0.72 0.83 -0.70 1.42 0.02 -1.38 -2.02 113.55 111.00 2pkr h SER 262 Ca -0.00 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 2pkr h SER 262 Cb 0.70 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 2pkr h SER 262 CO -0.18 0.57 0.33 0.00 -1.14 0.00 0.00 176.83 176.42 2pkr h ALA 263 N 1.54 1.24 -0.01 3.77 0.00 -0.12 0.19 119.26 125.88 2pkr h ALA 263 Ca 0.31 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2pkr h ALA 263 Cb 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2pkr h ALA 263 CO -0.09 0.58 -0.11 -0.25 0.00 0.00 0.00 179.25 179.38 2pkr n ASP 264 N -4.32 0.75 0.00 0.00 8.00 0.10 -2.94 116.55 118.14 2pkr n ASP 264 Ca 0.07 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.70 2pkr n ASP 264 Cb 0.14 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 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 -0.67 0.00 0.29 -2.24 3.02 -0.76 -4.85 115.26 110.04 2pkr n ASN 265 Ca 0.16 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.86 2pkr n ASN 265 Cb 0.29 0.00 0.91 0.00 -0.61 0.00 0.00 39.78 40.38 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 -0.33 3.52 9.09 -1.79 -2.36 114.58 122.71 2pkr h GLU 266 Ca 0.00 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.28 2pkr h GLU 266 Cb 0.00 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.03 2pkr h GLU 266 CO 0.00 0.00 -0.02 1.28 0.05 0.00 0.00 179.01 180.32 2pkr n LEU 267 N -3.81 4.09 -4.74 3.06 4.77 0.61 -5.00 117.00 115.98 2pkr n LEU 267 Ca -0.02 -3.49 -0.42 0.00 -0.03 0.00 0.00 56.01 52.05 2pkr n LEU 267 Cb 0.12 -0.61 -0.02 0.00 -2.33 0.00 0.00 43.42 40.58 2pkr n LEU 267 CO 0.27 1.03 1.15 -0.75 -1.33 0.00 0.00 177.39 177.77 2pkr s LYS 268 N -3.10 4.24 0.00 3.23 2.20 -0.89 -0.95 119.74 124.47 2pkr s LYS 268 Ca 0.44 2.34 0.00 0.00 -0.36 0.00 0.00 55.97 58.39 2pkr s LYS 268 Cb 0.38 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.59 2pkr s LYS 268 CO 0.03 -0.49 0.00 0.41 -0.36 0.00 0.00 175.35 174.94 2pkr n GLY 269 N 2.68 1.29 0.54 5.54 0.00 -1.26 -4.77 105.19 109.21 2pkr n GLY 269 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -5.27 -0.61 2.08 -0.73 -4.35 119.36 108.49 2pkr n ILE 270 Ca 0.00 0.00 -0.31 0.00 0.56 0.00 0.00 62.75 63.00 2pkr n ILE 270 Cb 0.00 -1.04 -0.16 0.00 -0.75 0.00 0.00 39.64 37.69 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 -5.54 2.05 0.15 1.39 2.96 -0.13 0.10 118.68 119.66 2pkr s LEU 271 Ca 0.00 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.47 2pkr s LEU 271 Cb 0.00 -1.31 -0.05 0.00 0.50 0.00 0.00 46.19 45.33 2pkr s LEU 271 CO 0.00 0.31 -0.05 -0.44 -1.32 0.00 0.00 176.35 174.85 2pkr s SER 272 N -0.62 1.45 -0.10 3.68 0.01 -0.25 -4.61 113.70 113.26 2pkr s SER 272 Ca 0.10 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.27 2pkr s SER 272 Cb -0.10 0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.21 2pkr s SER 272 CO -0.01 -0.46 -0.09 -0.69 0.41 0.00 0.00 173.24 172.40 2pkr s VAL 273 N -3.52 1.08 -0.18 3.43 1.01 -1.26 -0.98 120.40 119.99 2pkr s VAL 273 Ca 0.19 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 2pkr s VAL 273 Cb 0.05 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 2pkr s VAL 273 CO 0.01 0.37 -0.03 0.00 0.00 0.00 0.00 175.10 175.45 2pkr n ASP 275 N 3.97 3.18 -4.84 0.00 8.00 -1.26 -2.11 116.55 123.49 2pkr n ASP 275 Ca -0.17 -1.94 -0.36 0.00 0.71 0.00 0.00 54.79 53.02 2pkr n ASP 275 Cb 0.52 -0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 41.40 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 -1.53 4.01 -1.26 -1.24 2.02 -1.26 -4.86 118.70 114.59 2pkr s GLU 276 Ca 0.33 0.52 -0.19 0.00 0.02 0.00 0.00 54.97 55.65 2pkr s GLU 276 Cb 0.20 -3.03 0.01 0.00 0.10 0.00 0.00 34.13 31.41 2pkr s GLU 276 CO 0.29 0.54 1.84 -0.35 0.02 0.00 0.00 175.26 177.60 2pkr n PRO 277 N 1.11 2.61 -3.25 0.39 -0.04 -1.26 -4.91 135.00 129.65 2pkr n PRO 277 Ca -0.07 -2.92 -0.20 0.00 -0.04 0.00 0.00 63.50 60.26 2pkr n PRO 277 Cb 0.52 -3.53 0.03 0.00 -0.04 0.00 0.00 33.50 30.47 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 6.08 3.18 0.23 1.53 1.43 -1.26 -5.14 118.68 124.73 2pkr s LEU 278 Ca 0.58 -0.82 0.03 0.00 -1.03 0.00 0.00 54.13 52.90 2pkr s LEU 278 Cb 0.04 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 2pkr s LEU 278 CO 0.09 -1.09 0.00 0.68 0.23 0.00 0.00 176.35 176.26 2pkr s VAL 279 N -2.60 1.01 0.30 -1.59 -7.23 -1.26 -5.06 120.40 103.97 2pkr s VAL 279 Ca 0.54 -2.03 -0.00 0.00 -1.81 0.00 0.00 61.98 58.68 2pkr s VAL 279 Cb -0.06 -2.36 0.39 0.00 0.56 0.00 0.00 36.38 34.91 2pkr s VAL 279 CO 0.33 -0.30 1.58 0.77 -0.31 0.00 0.00 175.10 177.17 2pkr h SER 280 N 2.46 -0.47 -0.31 4.85 4.64 -1.97 -0.90 113.55 121.85 2pkr h SER 280 Ca -0.38 0.27 0.09 0.00 -0.47 0.00 0.00 61.79 61.30 2pkr h SER 280 Cb 1.22 0.47 -0.01 0.00 -0.31 0.00 0.00 62.40 63.77 2pkr h SER 280 CO 0.64 -0.32 0.24 -0.29 -0.87 0.00 0.00 176.83 176.23 2pkr h ILE 281 N 0.03 0.76 0.00 0.95 6.09 -1.96 -0.87 117.51 122.51 2pkr h ILE 281 Ca 0.57 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.06 2pkr h ILE 281 Cb 1.13 0.83 0.00 0.00 0.47 0.00 0.00 36.82 39.25 2pkr h ILE 281 CO -0.88 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 174.67 2pkr n ASP 282 N -4.31 0.59 -1.11 2.19 8.00 -0.34 -2.52 116.55 119.04 2pkr n ASP 282 Ca 0.05 0.63 0.11 0.00 0.71 0.00 0.00 54.79 56.29 2pkr n ASP 282 Cb 0.41 -0.76 0.26 0.00 -0.02 0.00 0.00 41.12 41.00 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 -2.13 0.57 -1.96 1.24 3.72 -0.33 -4.95 117.46 113.62 2pkr n PHE 283 Ca 0.03 -0.29 -0.41 0.00 -0.05 0.00 0.00 57.45 56.73 2pkr n PHE 283 Cb 0.25 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.77 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 -1.43 4.23 -1.13 -1.08 0.52 -1.05 -2.94 118.95 116.09 2pkr s ARG 284 Ca 0.40 2.37 -0.01 0.00 -0.52 0.00 0.00 55.73 57.96 2pkr s ARG 284 Cb 0.22 -3.08 0.00 0.00 0.52 0.00 0.00 34.95 32.61 2pkr s ARG 284 CO 0.31 -0.46 0.19 0.00 0.02 0.00 0.00 175.30 175.36 2pkr s THR 286 N -2.82 5.15 -0.22 0.00 -4.23 -1.15 -4.98 115.64 107.39 2pkr s THR 286 Ca 0.09 0.91 0.28 0.00 -1.18 0.00 0.00 61.69 61.79 2pkr s THR 286 Cb -0.04 -3.78 0.36 0.00 1.34 0.00 0.00 72.50 70.37 2pkr s THR 286 CO 0.12 0.39 1.80 0.44 -0.54 0.00 0.00 174.62 176.82 2pkr h ASP 287 N 6.22 0.00 -3.70 3.99 3.32 -1.93 -3.34 116.42 120.98 2pkr h ASP 287 Ca -0.43 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.18 2pkr h ASP 287 Cb 1.19 0.00 0.17 0.00 0.22 0.00 0.00 39.33 40.91 2pkr h ASP 287 CO 0.72 0.00 0.15 0.68 -1.72 0.00 0.00 179.24 179.07 2pkr s VAL 288 N -3.42 1.91 -0.13 -1.35 -7.23 -1.26 -4.80 120.40 104.12 2pkr s VAL 288 Ca 0.04 0.00 0.20 0.00 -1.81 0.00 0.00 61.98 60.42 2pkr s VAL 288 Cb 0.07 -2.44 -0.19 0.00 0.56 0.00 0.00 36.38 34.38 2pkr s VAL 288 CO 0.59 0.00 0.64 -1.20 -0.31 0.00 0.00 175.10 174.83 2pkr n SER 289 N -4.43 0.42 -3.66 4.85 7.64 0.11 -4.61 113.62 113.94 2pkr n SER 289 Ca 0.06 0.17 -0.10 0.00 1.01 0.00 0.00 58.87 60.01 2pkr n SER 289 Cb 0.58 1.03 -0.08 0.00 -1.01 0.00 0.00 64.21 64.72 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 -5.17 -0.74 -0.19 6.43 0.15 -0.87 -4.06 113.70 109.26 2pkr s SER 290 Ca -0.05 1.27 -0.00 0.00 0.70 0.00 0.00 55.95 57.87 2pkr s SER 290 Cb 0.10 1.20 0.05 0.00 -1.71 0.00 0.00 66.02 65.66 2pkr s SER 290 CO 0.85 -0.22 -0.06 -0.89 1.20 0.00 0.00 173.24 174.12 2pkr s THR 291 N 1.08 1.27 0.31 6.45 2.01 -0.08 -1.09 115.64 125.60 2pkr s THR 291 Ca -0.06 -0.81 -0.29 0.00 0.31 0.00 0.00 61.69 60.84 2pkr s THR 291 Cb -0.05 -1.46 -0.10 0.00 0.01 0.00 0.00 72.50 70.90 2pkr s THR 291 CO -0.10 0.08 1.23 -0.63 -0.69 0.00 0.00 174.62 174.51 2pkr s ILE 292 N 1.55 2.99 -0.79 1.82 -1.09 -0.15 0.69 121.20 126.22 2pkr s ILE 292 Ca -0.01 1.00 -0.11 0.00 -2.23 0.00 0.00 60.65 59.30 2pkr s ILE 292 Cb -0.16 -3.64 0.21 0.00 -1.58 0.00 0.00 42.46 37.29 2pkr s ILE 292 CO -0.08 0.24 0.70 -0.62 -1.23 0.00 0.00 174.94 173.95 2pkr s ASP 293 N -0.62 6.40 0.24 3.58 -1.08 -0.21 -0.34 116.67 124.63 2pkr s ASP 293 Ca 0.47 -2.78 -0.11 0.00 -0.52 0.00 0.00 52.55 49.62 2pkr s ASP 293 Cb -0.37 -2.12 0.35 0.00 -1.46 0.00 0.00 42.92 39.32 2pkr s ASP 293 CO 0.49 -0.51 1.61 0.77 0.52 0.00 0.00 175.17 178.04 2pkr h SER 294 N 7.54 -0.66 0.35 -0.34 4.64 -1.72 -1.19 113.55 122.16 2pkr h SER 294 Ca 0.08 0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2pkr h SER 294 Cb 1.01 0.46 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 2pkr h SER 294 CO 0.75 -0.25 0.00 -1.54 -0.87 0.00 0.00 176.83 174.92 2pkr n SER 295 N -5.48 0.33 -0.02 4.97 3.41 -1.26 -1.97 113.62 113.60 2pkr n SER 295 Ca 0.11 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.45 2pkr n SER 295 Cb 0.41 -0.67 0.16 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.90 0.68 -4.73 1.04 4.77 -0.45 -4.93 117.00 111.48 2pkr n LEU 296 Ca 0.01 -0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.42 2pkr n LEU 296 Cb 0.12 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 2pkr n LEU 296 CO 0.12 0.16 1.19 -0.89 -1.33 0.00 0.00 177.39 176.64 2pkr s THR 297 N -2.96 2.55 0.07 -5.08 2.01 -0.83 -4.77 115.64 106.63 2pkr s THR 297 Ca 0.11 0.42 0.02 0.00 0.31 0.00 0.00 61.69 62.55 2pkr s THR 297 Cb 0.17 -3.27 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 2pkr s THR 297 CO 0.73 0.05 -0.07 -0.04 -0.69 0.00 0.00 174.62 174.60 2pkr s MET 298 N 0.42 0.67 -0.08 4.92 -1.94 -0.87 -4.86 119.30 117.56 2pkr s MET 298 Ca 0.66 -1.02 -0.00 0.00 -1.71 0.00 0.00 55.69 53.61 2pkr s MET 298 Cb -0.44 -0.24 0.02 0.00 2.01 0.00 0.00 34.83 36.18 2pkr s MET 298 CO 0.37 0.02 -0.04 0.08 -0.01 0.00 0.00 175.02 175.44 2pkr s VAL 299 N -2.43 0.65 -0.08 -6.03 1.01 -1.26 -0.72 120.40 111.54 2pkr s VAL 299 Ca 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 2pkr s VAL 299 Cb -0.03 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 2pkr s VAL 299 CO -0.02 0.29 -0.04 -0.04 0.00 0.00 0.00 175.10 175.29 2pkr s MET 300 N 1.63 2.91 -1.37 2.72 -1.94 0.54 -4.62 119.30 119.17 2pkr s MET 300 Ca 0.01 -0.50 0.00 0.00 -1.71 0.00 0.00 55.69 53.49 2pkr s MET 300 Cb -0.13 -2.69 0.00 0.00 2.01 0.00 0.00 34.83 34.02 2pkr s MET 300 CO -0.05 0.64 0.00 0.41 -0.01 0.00 0.00 175.02 176.02 2pkr n GLY 301 N 2.30 -0.36 4.57 -0.03 0.00 -1.26 -0.97 105.19 109.44 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 -1.81 0.00 0.00 1.61 8.00 -1.26 -4.47 116.55 118.61 2pkr n ASP 302 Ca -0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.31 2pkr n ASP 302 Cb 0.63 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 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 0.13 0.87 -4.27 -2.24 5.68 -1.15 -0.98 116.55 114.60 2pkr n ASP 303 Ca 0.00 -1.33 -0.41 0.00 -0.50 0.00 0.00 54.79 52.55 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 -0.33 2.63 -0.23 0.11 1.75 -0.14 -1.13 119.30 121.96 2pkr s MET 304 Ca 0.00 -1.57 -0.12 0.00 -1.25 0.00 0.00 55.69 52.75 2pkr s MET 304 Cb 0.00 -3.90 -0.05 0.00 2.84 0.00 0.00 34.83 33.72 2pkr s MET 304 CO 0.00 -1.07 0.24 0.08 -0.65 0.00 0.00 175.02 173.62 2pkr s VAL 305 N 1.44 5.30 -0.18 10.11 1.01 0.27 -0.34 120.40 138.02 2pkr s VAL 305 Ca 0.04 0.36 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 2pkr s VAL 305 Cb -0.25 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2pkr s VAL 305 CO 0.02 0.31 -0.05 -0.75 0.00 0.00 0.00 175.10 174.63 2pkr s LYS 306 N 1.17 3.53 -0.02 2.72 2.20 0.10 -1.26 119.74 128.18 2pkr s LYS 306 Ca 0.11 -0.58 0.06 0.00 -0.36 0.00 0.00 55.97 55.20 2pkr s LYS 306 Cb -0.14 -2.92 -0.01 0.00 -1.51 0.00 0.00 37.83 33.25 2pkr s LYS 306 CO 0.06 0.08 -0.20 0.08 -0.36 0.00 0.00 175.35 175.00 2pkr s VAL 307 N 0.77 1.63 -0.20 4.02 1.01 0.47 -2.05 120.40 126.04 2pkr s VAL 307 Ca -0.02 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 2pkr s VAL 307 Cb -0.15 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.88 2pkr s VAL 307 CO 0.02 0.46 -0.13 -0.63 0.00 0.00 0.00 175.10 174.82 2pkr s ILE 308 N -0.36 2.58 -0.04 2.22 -1.09 -1.26 -0.78 121.20 122.47 2pkr s ILE 308 Ca 0.05 -0.83 0.04 0.00 -2.23 0.00 0.00 60.65 57.67 2pkr s ILE 308 Cb -0.09 -2.16 -0.00 0.00 -1.58 0.00 0.00 42.46 38.63 2pkr s ILE 308 CO 0.00 0.44 -0.15 0.00 -1.23 0.00 0.00 174.94 174.01 2pkr s ALA 309 N 1.35 1.32 0.24 9.38 0.00 -0.26 -1.04 121.76 132.74 2pkr s ALA 309 Ca 0.04 -0.58 -0.08 0.00 0.00 0.00 0.00 51.96 51.34 2pkr s ALA 309 Cb -0.14 -0.44 -0.07 0.00 0.00 0.00 0.00 23.12 22.47 2pkr s ALA 309 CO -0.09 0.24 0.53 -1.58 0.00 0.00 0.00 175.76 174.86 2pkr s TRP 310 N 0.07 3.44 -0.21 0.00 0.52 0.22 -0.60 118.94 122.39 2pkr s TRP 310 Ca -0.03 0.78 -0.19 0.00 0.02 0.00 0.00 56.10 56.68 2pkr s TRP 310 Cb -0.10 -2.20 0.05 0.00 -1.15 0.00 0.00 33.47 30.07 2pkr s TRP 310 CO 0.02 0.26 0.55 1.52 0.02 0.00 0.00 176.95 179.31 2pkr s TYR 311 N -1.87 -0.61 -0.76 -1.98 1.13 -0.67 -0.90 117.35 111.69 2pkr s TYR 311 Ca 0.46 1.48 -0.22 0.00 -1.41 0.00 0.00 57.07 57.38 2pkr s TYR 311 Cb -0.11 0.21 0.08 0.00 -1.10 0.00 0.00 41.96 41.04 2pkr s TYR 311 CO 0.24 -0.29 1.06 0.34 -2.51 0.00 0.00 175.55 174.39 2pkr s ASP 312 N 0.31 6.31 0.59 -0.18 -1.08 -1.26 -0.54 116.67 120.83 2pkr s ASP 312 Ca -0.00 -1.25 0.30 0.00 -0.52 0.00 0.00 52.55 51.07 2pkr s ASP 312 Cb -0.04 -2.44 1.72 0.00 -1.46 0.00 0.00 42.92 40.71 2pkr s ASP 312 CO 0.00 -1.38 2.14 -0.55 0.52 0.00 0.00 175.17 175.90 2pkr h ASN 313 N 9.44 0.00 0.00 -0.34 -1.07 -1.92 -0.42 115.58 121.27 2pkr h ASN 313 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.23 2pkr h ASN 313 Cb 1.05 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.30 2pkr h ASN 313 CO 1.19 0.00 -0.28 -0.33 0.07 0.00 0.00 177.43 178.08 2pkr h GLU 314 N 0.00 0.00 -0.06 4.14 5.08 -1.97 -3.36 114.58 118.40 2pkr h GLU 314 Ca 0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2pkr h GLU 314 Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2pkr h GLU 314 CO -0.00 0.00 -0.07 2.35 -1.00 0.00 0.00 179.01 180.29 2pkr h TRP 315 N -0.66 0.19 -0.60 4.33 2.91 -1.93 -1.95 115.95 118.24 2pkr h TRP 315 Ca 0.00 -0.06 0.05 0.00 1.13 0.00 0.00 58.89 60.01 2pkr h TRP 315 Cb 0.28 -0.04 -0.05 0.00 -0.51 0.00 0.00 29.16 28.84 2pkr h TRP 315 CO -0.12 0.62 0.32 0.78 -1.03 0.00 0.00 178.44 179.02 2pkr h GLY 316 N -0.29 0.87 1.05 2.65 0.00 -1.19 -0.61 103.07 105.54 2pkr h GLY 316 Ca 0.01 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.04 2pkr h GLY 316 CO 0.02 0.14 0.11 -1.82 0.00 0.00 0.00 176.54 174.99 2pkr h TYR 317 N 0.61 1.11 -0.34 5.60 3.20 -1.60 -2.65 116.97 122.90 2pkr h TYR 317 Ca 0.27 -0.15 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 2pkr h TYR 317 Cb 0.16 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 2pkr h TYR 317 CO -0.09 0.94 0.01 0.77 -1.64 0.00 0.00 178.16 178.16 2pkr h SER 318 N 0.96 0.49 -0.43 -2.11 0.02 -0.72 -0.40 113.55 111.37 2pkr h SER 318 Ca 0.19 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 2pkr h SER 318 Cb 0.43 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 2pkr h SER 318 CO 0.01 0.56 -0.01 1.56 -1.14 0.00 0.00 176.83 177.81 2pkr h GLN 319 N 0.51 0.84 -0.25 3.45 1.08 -0.80 -0.82 115.11 119.11 2pkr h GLN 319 Ca 0.11 -0.24 -0.09 0.00 -1.45 0.00 0.00 58.65 56.98 2pkr h GLN 319 Cb 0.31 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 2pkr h GLN 319 CO 0.01 0.84 -0.24 0.00 -0.95 0.00 0.00 178.83 178.49 2pkr h ARG 320 N 0.78 0.48 -0.49 1.46 2.47 -0.95 0.35 114.38 118.48 2pkr h ARG 320 Ca 0.15 -0.18 -0.04 0.00 -1.26 0.00 0.00 59.98 58.65 2pkr h ARG 320 Cb 0.48 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.75 2pkr h ARG 320 CO 0.02 0.69 0.15 0.28 0.56 0.00 0.00 179.97 181.68 2pkr h VAL 321 N 0.43 1.23 -0.41 2.04 2.07 -0.54 0.72 116.25 121.78 2pkr h VAL 321 Ca 0.06 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.83 2pkr h VAL 321 Cb 0.65 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2pkr h VAL 321 CO 0.05 0.28 0.26 0.58 0.02 0.00 0.00 177.57 178.76 2pkr h VAL 322 N 0.66 1.08 -0.72 2.57 2.07 -0.65 -0.58 116.25 120.68 2pkr h VAL 322 Ca 0.16 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.54 2pkr h VAL 322 Cb 0.28 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 2pkr h VAL 322 CO -0.00 0.10 0.44 0.44 0.02 0.00 0.00 177.57 178.56 2pkr h ASP 323 N 0.53 0.70 -0.52 0.57 3.32 -0.39 0.22 116.42 120.85 2pkr h ASP 323 Ca 0.16 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.11 2pkr h ASP 323 Cb -0.03 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2pkr h ASP 323 CO -0.05 0.48 -0.09 0.25 -1.72 0.00 0.00 179.24 178.10 2pkr h LEU 324 N 0.84 0.99 -0.52 1.55 5.85 -0.61 -1.82 115.31 121.60 2pkr h LEU 324 Ca 0.30 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2pkr h LEU 324 Cb 0.07 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 2pkr h LEU 324 CO -0.13 1.09 0.31 0.00 -0.34 0.00 0.00 178.44 179.37 2pkr h ALA 325 N 0.99 0.66 -0.82 1.25 0.00 0.10 -1.29 119.26 120.15 2pkr h ALA 325 Ca 0.14 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.07 2pkr h ALA 325 Cb 0.64 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 2pkr h ALA 325 CO 0.04 0.15 0.53 -0.44 0.00 0.00 0.00 179.25 179.54 2pkr h ASP 326 N 0.69 0.72 -0.57 0.00 3.32 -0.22 -1.01 116.42 119.34 2pkr h ASP 326 Ca 0.18 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 2pkr h ASP 326 Cb 0.00 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2pkr h ASP 326 CO -0.03 0.44 -0.03 0.40 -1.72 0.00 0.00 179.24 178.30 2pkr h ILE 327 N 0.81 1.27 -0.46 0.35 2.04 -0.50 0.32 117.51 121.34 2pkr h ILE 327 Ca 0.37 -1.17 0.02 0.00 1.00 0.00 0.00 64.86 65.08 2pkr h ILE 327 Cb 0.37 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 2pkr h ILE 327 CO -0.14 0.42 0.28 0.58 0.00 0.00 0.00 178.15 179.29 2pkr h VAL 328 N 0.92 1.07 -0.50 1.67 2.07 -0.13 -1.06 116.25 120.29 2pkr h VAL 328 Ca 0.16 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 2pkr h VAL 328 Cb 0.58 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2pkr h VAL 328 CO 0.03 0.10 0.10 0.00 0.02 0.00 0.00 177.57 177.83 2pkr h ALA 329 N 1.19 0.67 0.00 1.67 0.00 -0.97 -1.89 119.26 119.93 2pkr h ALA 329 Ca 0.18 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2pkr h ALA 329 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2pkr h ALA 329 CO -0.07 0.38 -0.19 -0.91 0.00 0.00 0.00 179.25 178.46 2pkr h ASN 330 N 0.70 0.00 -0.47 0.00 -0.26 -0.44 -2.46 115.58 112.65 2pkr h ASN 330 Ca 0.15 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 2pkr h ASN 330 Cb 0.37 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.63 2pkr h ASN 330 CO 0.01 0.19 0.00 0.29 -1.06 0.00 0.00 177.43 176.86 2pkr n LYS 331 N -3.88 2.68 -1.68 0.81 4.76 -0.44 -4.99 118.16 115.41 2pkr n LYS 331 Ca -0.02 -2.23 -0.44 0.00 -2.87 0.00 0.00 58.31 52.74 2pkr n LYS 331 Cb 0.28 -1.39 -0.04 0.00 -1.84 0.00 0.00 35.03 32.05 2pkr n LYS 331 CO 0.00 0.00 0.00 1.87 -1.37 0.00 0.00 177.40 177.90 2pkr n TRP 332 N 0.98 2.48 -2.28 2.13 -0.00 -0.72 -4.50 117.44 115.53 2pkr n TRP 332 Ca 0.16 0.01 -0.40 0.00 -0.00 0.00 0.00 57.50 57.27 2pkr n TRP 332 Cb 0.50 -2.66 0.01 0.00 -0.00 0.00 0.00 31.31 29.15 2pkr n TRP 332 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 2pkr n GLN 333 N 5.07 4.87 0.00 5.87 6.02 -1.26 -5.09 117.38 132.86 2pkr n GLN 333 Ca 0.18 -4.01 0.00 0.00 -0.01 0.00 0.00 57.00 53.17 2pkr n GLN 333 Cb 0.33 -2.52 0.00 0.00 1.02 0.00 0.00 30.24 29.07 2pkr n GLN 333 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46